#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m1i h ALA 0 N 0.00 2.81 -0.07 4.61 0.00 -2.06 -1.80 119.26 122.75 3m1i h ALA 0 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3m1i h ALA 0 Cb 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3m1i h ALA 0 CO 0.00 -1.15 -0.04 0.52 0.00 0.00 0.00 179.25 178.58 3m1i h MET 1 N 0.12 0.09 0.00 0.00 2.86 -2.02 -2.11 114.93 113.88 3m1i h MET 1 Ca 0.55 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.18 3m1i h MET 1 Cb 1.94 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 33.58 3m1i h MET 1 CO -0.09 0.14 0.00 0.93 1.06 0.00 0.00 176.91 178.95 3m1i h GLU 2 N 0.09 0.00 -1.42 1.72 5.08 -1.75 -3.18 114.58 115.13 3m1i h GLU 2 Ca 0.02 0.00 0.42 0.00 -1.00 0.00 0.00 59.36 58.80 3m1i h GLU 2 Cb 0.14 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.30 3m1i h GLU 2 CO 0.01 0.00 0.99 0.78 -1.00 0.00 0.00 179.01 179.78 3m1i h GLY 3 N 0.96 0.49 2.00 -3.84 0.00 -1.55 -1.34 103.07 99.79 3m1i h GLY 3 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.27 3m1i h GLY 3 CO 0.00 -0.12 0.00 0.29 0.00 0.00 0.00 176.54 176.71 3m1i n ILE 4 N -4.30 0.74 0.63 2.60 -5.35 -1.20 -2.69 119.36 109.79 3m1i n ILE 4 Ca 0.34 0.05 0.13 0.00 -0.27 0.00 0.00 62.75 62.99 3m1i n ILE 4 Cb 1.46 -0.96 0.40 0.00 -1.74 0.00 0.00 39.64 38.80 3m1i n ILE 4 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3m1i n LEU 5 N -2.24 0.79 -4.55 7.28 4.77 -0.51 -4.66 117.00 117.88 3m1i n LEU 5 Ca 0.03 0.55 -0.40 0.00 -0.03 0.00 0.00 56.01 56.17 3m1i n LEU 5 Cb 0.30 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 3m1i n LEU 5 CO 0.24 -0.17 1.32 -0.62 -1.33 0.00 0.00 177.39 176.83 3m1i s ASP 6 N -4.47 5.99 0.00 -1.43 2.15 -1.09 -4.86 116.67 112.94 3m1i s ASP 6 Ca 0.10 -0.50 0.28 0.00 0.43 0.00 0.00 52.55 52.87 3m1i s ASP 6 Cb 0.13 -2.56 1.10 0.00 -0.30 0.00 0.00 42.92 41.29 3m1i s ASP 6 CO 0.60 -1.94 1.77 0.49 -0.17 0.00 0.00 175.17 175.92 3m1i n PHE 7 N 10.23 0.00 0.15 -5.34 0.99 -1.26 -3.22 117.46 119.00 3m1i n PHE 7 Ca 0.14 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.62 3m1i n PHE 7 Cb 0.50 -0.02 0.13 0.00 -1.00 0.00 0.00 39.48 39.09 3m1i n PHE 7 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 3m1i h SER 8 N 1.92 0.00 -2.04 4.37 4.64 -1.99 -3.46 113.55 116.98 3m1i h SER 8 Ca 0.00 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.86 3m1i h SER 8 Cb 0.45 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 3m1i h SER 8 CO 0.00 0.50 -0.42 0.20 -0.87 0.00 0.00 176.83 176.24 3m1i s ASN 9 N -6.47 6.02 0.71 4.97 0.01 -1.20 -5.09 114.94 113.90 3m1i s ASN 9 Ca 0.02 -0.10 -0.16 0.00 -0.71 0.00 0.00 52.86 51.91 3m1i s ASN 9 Cb 0.09 -1.54 0.02 0.00 0.41 0.00 0.00 41.25 40.24 3m1i s ASN 9 CO 0.73 -0.20 1.26 -1.81 -1.51 0.00 0.00 177.10 175.57 3m1i s ASP 10 N -4.02 4.23 0.04 -1.22 1.01 -1.26 -4.94 116.67 110.51 3m1i s ASP 10 Ca 0.38 2.53 -0.30 0.00 0.71 0.00 0.00 52.55 55.87 3m1i s ASP 10 Cb -0.09 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.19 3m1i s ASP 10 CO 0.29 -2.25 1.07 -0.22 0.21 0.00 0.00 175.17 174.27 3m1i s LEU 11 N -4.85 4.38 -0.52 1.23 2.96 -1.26 -4.99 118.68 115.62 3m1i s LEU 11 Ca 0.79 1.83 -0.24 0.00 -0.22 0.00 0.00 54.13 56.30 3m1i s LEU 11 Cb -0.34 -3.58 0.04 0.00 0.50 0.00 0.00 46.19 42.81 3m1i s LEU 11 CO 0.44 -0.34 0.90 -0.62 -1.32 0.00 0.00 176.35 175.41 3m1i s ASP 12 N 0.94 6.36 0.21 3.68 -1.08 -1.26 -4.93 116.67 120.58 3m1i s ASP 12 Ca 0.54 -0.31 -0.02 0.00 -0.52 0.00 0.00 52.55 52.25 3m1i s ASP 12 Cb -0.25 -2.42 0.16 0.00 -1.46 0.00 0.00 42.92 38.95 3m1i s ASP 12 CO 0.29 -1.14 1.54 0.40 0.52 0.00 0.00 175.17 176.77 3m1i h ILE 13 N 6.01 1.32 -0.54 4.11 1.08 -1.98 -1.49 117.51 126.02 3m1i h ILE 13 Ca -0.26 -1.75 -0.09 0.00 -0.39 0.00 0.00 64.86 62.37 3m1i h ILE 13 Cb 1.08 1.74 -0.02 0.00 -3.07 0.00 0.00 36.82 36.55 3m1i h ILE 13 CO 1.05 0.54 -0.02 0.00 -0.69 0.00 0.00 178.15 179.04 3m1i h ALA 14 N 1.04 0.73 -0.17 1.87 0.00 -1.94 0.12 119.26 120.90 3m1i h ALA 14 Ca 0.01 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 3m1i h ALA 14 Cb 1.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3m1i h ALA 14 CO 0.10 0.57 0.01 1.25 0.00 0.00 0.00 179.25 181.17 3m1i h LEU 15 N 0.85 0.30 -0.58 0.00 5.85 -1.90 -2.19 115.31 117.64 3m1i h LEU 15 Ca 0.15 -0.30 0.08 0.00 0.84 0.00 0.00 57.88 58.65 3m1i h LEU 15 Cb 0.56 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.45 3m1i h LEU 15 CO 0.03 0.52 0.22 0.25 -0.34 0.00 0.00 178.44 179.13 3m1i h LEU 16 N 0.06 0.24 -1.20 2.25 5.85 -1.12 0.26 115.31 121.64 3m1i h LEU 16 Ca 0.05 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.92 3m1i h LEU 16 Cb 0.37 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 3m1i h LEU 16 CO 0.01 0.15 0.57 0.44 -0.34 0.00 0.00 178.44 179.27 3m1i h ASP 17 N 0.41 0.82 0.31 1.25 3.32 -0.58 -0.05 116.42 121.91 3m1i h ASP 17 Ca 0.28 0.01 -0.20 0.00 0.02 0.00 0.00 57.03 57.15 3m1i h ASP 17 Cb 0.32 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 3m1i h ASP 17 CO -0.28 0.51 -0.80 -0.61 -1.72 0.00 0.00 179.24 176.34 3m1i h GLN 18 N 0.92 0.39 -0.44 3.56 4.15 -0.56 -0.74 115.11 122.39 3m1i h GLN 18 Ca 0.39 -0.35 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 3m1i h GLN 18 Cb 0.31 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.06 3m1i h GLN 18 CO -0.15 1.01 0.25 0.28 -1.93 0.00 0.00 178.83 178.29 3m1i h VAL 19 N 0.25 1.15 -0.47 2.39 2.07 0.37 -0.88 116.25 121.12 3m1i h VAL 19 Ca -0.05 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.06 3m1i h VAL 19 Cb 1.40 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 3m1i h VAL 19 CO 0.14 0.15 0.08 0.58 0.02 0.00 0.00 177.57 178.54 3m1i h VAL 20 N 0.57 1.25 -0.10 2.57 2.07 -0.96 -1.04 116.25 120.61 3m1i h VAL 20 Ca 0.16 -0.91 -0.10 0.00 0.82 0.00 0.00 66.70 66.67 3m1i h VAL 20 Cb 0.02 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3m1i h VAL 20 CO -0.03 0.32 -0.37 0.77 0.02 0.00 0.00 177.57 178.29 3m1i h SER 21 N 0.65 0.22 -0.70 0.57 4.64 -0.98 -0.95 113.55 116.99 3m1i h SER 21 Ca 0.14 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3m1i h SER 21 Cb 0.38 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.38 3m1i h SER 21 CO 0.01 0.58 0.45 0.74 -0.87 0.00 0.00 176.83 177.73 3m1i h THR 22 N 0.19 1.19 0.14 2.95 2.02 -0.81 0.26 112.91 118.85 3m1i h THR 22 Ca 0.02 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 3m1i h THR 22 Cb 0.74 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 3m1i h THR 22 CO 0.06 0.19 -0.07 0.15 0.37 0.00 0.00 175.52 176.22 3m1i h PHE 23 N 0.96 -0.18 -0.09 3.16 3.57 -0.72 -0.75 116.94 122.88 3m1i h PHE 23 Ca 0.26 -0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.53 3m1i h PHE 23 Cb -0.08 0.06 0.01 0.00 2.79 0.00 0.00 35.95 38.73 3m1i h PHE 23 CO -0.02 0.19 -0.84 1.88 -2.23 0.00 0.00 178.31 177.30 3m1i h TYR 24 N -0.59 0.89 0.00 0.41 0.05 -1.13 -3.37 116.97 113.23 3m1i h TYR 24 Ca -0.02 -0.42 0.00 0.00 0.05 0.00 0.00 58.73 58.34 3m1i h TYR 24 Cb 0.45 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.07 3m1i h TYR 24 CO 0.05 1.23 -0.73 1.04 -1.05 0.00 0.00 178.16 178.70 3m1i n GLN 25 N -3.87 2.37 0.00 4.88 3.00 0.89 -5.01 117.38 119.64 3m1i n GLN 25 Ca -0.07 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 3m1i n GLN 25 Cb 0.77 -1.15 0.00 0.00 0.00 0.00 0.00 30.24 29.87 3m1i n GLN 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3m1i n GLY 26 N 1.36 0.76 3.83 1.08 0.00 -0.29 -5.00 105.19 106.93 3m1i n GLY 26 Ca 0.02 -1.78 -0.07 0.00 0.00 0.00 0.00 46.02 44.19 3m1i n GLY 26 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3m1i s SER 27 N -1.00 -0.06 0.83 1.61 1.04 -1.26 -4.86 113.70 110.01 3m1i s SER 27 Ca 0.00 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.53 3m1i s SER 27 Cb 0.00 0.74 0.00 0.00 0.10 0.00 0.00 66.02 66.86 3m1i s SER 27 CO 0.00 -1.44 0.00 0.61 0.98 0.00 0.00 173.24 173.39 3m1i n GLY 28 N -0.54 2.71 0.16 7.32 0.00 -1.26 -2.20 105.19 111.37 3m1i n GLY 28 Ca -0.06 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 3m1i n GLY 28 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3m1i h VAL 29 N 0.00 1.26 -0.46 1.61 2.07 -2.00 -1.29 116.25 117.44 3m1i h VAL 29 Ca 0.00 -0.93 0.07 0.00 0.82 0.00 0.00 66.70 66.66 3m1i h VAL 29 Cb 0.00 1.37 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 3m1i h VAL 29 CO 0.00 0.29 0.13 1.56 0.02 0.00 0.00 177.57 179.58 3m1i h GLN 30 N 0.22 0.28 -0.69 1.57 1.08 -1.96 0.95 115.11 116.56 3m1i h GLN 30 Ca 0.07 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.25 3m1i h GLN 30 Cb 0.43 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.76 3m1i h GLN 30 CO 0.01 0.19 0.40 0.37 -0.95 0.00 0.00 178.83 178.85 3m1i h GLN 31 N 0.29 0.95 -0.26 1.46 4.15 -1.15 0.21 115.11 120.75 3m1i h GLN 31 Ca 0.22 -0.10 0.03 0.00 0.77 0.00 0.00 58.65 59.57 3m1i h GLN 31 Cb 0.25 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.72 3m1i h GLN 31 CO -0.26 0.69 0.09 -0.22 -1.93 0.00 0.00 178.83 177.21 3m1i h LYS 32 N 0.94 0.21 -0.50 1.69 3.64 -0.65 -0.19 116.57 121.71 3m1i h LYS 32 Ca 0.25 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.51 3m1i h LYS 32 Cb -0.00 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 3m1i h LYS 32 CO -0.04 0.14 -0.10 1.96 -2.27 0.00 0.00 179.45 179.13 3m1i h GLN 33 N 0.21 0.93 -0.82 1.90 4.20 -0.49 -2.43 115.11 118.62 3m1i h GLN 33 Ca 0.11 -0.33 -0.02 0.00 0.06 0.00 0.00 58.65 58.47 3m1i h GLN 33 Cb 0.08 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.75 3m1i h GLN 33 CO -0.11 0.98 0.42 0.00 -0.67 0.00 0.00 178.83 179.45 3m1i h ALA 34 N 1.04 1.21 -0.15 3.87 0.00 -0.54 -1.86 119.26 122.83 3m1i h ALA 34 Ca 0.13 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3m1i h ALA 34 Cb 0.64 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3m1i h ALA 34 CO 0.04 0.62 -0.03 0.37 0.00 0.00 0.00 179.25 180.25 3m1i h GLN 35 N 1.15 0.01 -0.25 0.00 -0.00 -0.75 0.43 115.11 115.69 3m1i h GLN 35 Ca 0.29 -0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.84 3m1i h GLN 35 Cb 0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.53 3m1i h GLN 35 CO -0.04 0.00 -0.25 0.93 0.00 0.00 0.00 178.83 179.47 3m1i h GLU 36 N 0.01 0.49 -0.35 1.69 5.08 -1.14 -1.93 114.58 118.42 3m1i h GLU 36 Ca 0.07 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 3m1i h GLU 36 Cb 0.10 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3m1i h GLU 36 CO -0.15 0.70 -0.05 0.82 -1.00 0.00 0.00 179.01 179.34 3m1i h ILE 37 N 0.43 1.27 -0.10 3.13 2.04 -0.82 -2.02 117.51 121.44 3m1i h ILE 37 Ca 0.06 -1.08 -0.07 0.00 1.00 0.00 0.00 64.86 64.77 3m1i h ILE 37 Cb 0.67 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 3m1i h ILE 37 CO 0.05 0.35 -0.25 -0.07 0.00 0.00 0.00 178.15 178.23 3m1i h LEU 38 N 0.44 0.17 -0.51 1.44 3.38 -0.70 0.10 115.31 119.63 3m1i h LEU 38 Ca 0.09 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 3m1i h LEU 38 Cb 0.54 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3m1i h LEU 38 CO 0.03 0.43 -0.32 0.74 0.09 0.00 0.00 178.44 179.41 3m1i h THR 39 N 0.16 1.27 -0.32 0.22 2.02 -1.22 0.02 112.91 115.07 3m1i h THR 39 Ca 0.03 -1.48 -0.14 0.00 0.77 0.00 0.00 66.41 65.59 3m1i h THR 39 Cb 0.53 1.31 -0.00 0.00 -1.74 0.00 0.00 68.15 68.25 3m1i h THR 39 CO 0.04 0.50 -0.34 0.11 0.37 0.00 0.00 175.52 176.19 3m1i h LYS 40 N 0.73 0.80 -0.01 6.66 1.57 -0.60 -1.92 116.57 123.81 3m1i h LYS 40 Ca 0.08 -0.43 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 3m1i h LYS 40 Cb 0.88 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.21 3m1i h LYS 40 CO 0.08 1.06 0.00 0.35 -0.57 0.00 0.00 179.45 180.37 3m1i h PHE 41 N 0.57 0.01 -0.24 -1.35 3.57 -0.71 -1.80 116.94 116.99 3m1i h PHE 41 Ca 0.05 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 3m1i h PHE 41 Cb 0.92 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 3m1i h PHE 41 CO 0.07 0.03 0.09 -0.56 -2.23 0.00 0.00 178.31 175.71 3m1i h GLN 42 N -0.02 0.33 -0.00 1.11 3.07 -0.99 -2.20 115.11 116.41 3m1i h GLN 42 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 58.65 58.71 3m1i h GLN 42 Cb 0.03 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 27.52 3m1i h GLN 42 CO -0.00 0.29 -0.24 -3.47 0.09 0.00 0.00 178.83 175.49 3m1i n ASP 43 N -4.43 0.40 -4.73 0.06 -0.08 -0.72 -4.86 116.55 102.19 3m1i n ASP 43 Ca 0.01 -0.19 -0.42 0.00 -1.51 0.00 0.00 54.79 52.68 3m1i n ASP 43 Cb 0.13 -0.05 -0.03 0.00 2.34 0.00 0.00 41.12 43.52 3m1i n ASP 43 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 3m1i s ASN 44 N -2.82 6.66 0.66 1.67 3.84 -0.72 -4.84 114.94 119.39 3m1i s ASN 44 Ca 0.18 2.58 0.32 0.00 0.21 0.00 0.00 52.86 56.14 3m1i s ASN 44 Cb 0.19 -2.60 1.72 0.00 -0.55 0.00 0.00 41.25 40.00 3m1i s ASN 44 CO 0.58 -0.74 1.97 -0.65 -2.79 0.00 0.00 177.10 175.47 3m1i h PRO 45 N 6.11 0.00 -0.02 0.43 0.11 -1.90 -1.88 132.00 134.85 3m1i h PRO 45 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3m1i h PRO 45 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3m1i h PRO 45 CO 0.85 0.00 -0.27 -0.25 -0.21 0.00 0.00 178.00 178.12 3m1i n ASP 46 N -2.93 2.05 0.28 -2.05 8.00 -1.26 -4.56 116.55 116.07 3m1i n ASP 46 Ca -0.02 -1.52 0.12 0.00 0.71 0.00 0.00 54.79 54.08 3m1i n ASP 46 Cb 0.35 0.33 0.78 0.00 -0.02 0.00 0.00 41.12 42.56 3m1i n ASP 46 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3m1i h ALA 47 N 3.42 1.66 0.00 2.24 0.00 -1.60 0.19 119.26 125.18 3m1i h ALA 47 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3m1i h ALA 47 Cb 0.69 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3m1i h ALA 47 CO 0.00 0.04 -0.03 0.11 0.00 0.00 0.00 179.25 179.37 3m1i h TRP 48 N 0.00 0.00 0.00 0.00 5.08 -1.80 -0.70 115.95 118.52 3m1i h TRP 48 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3m1i h TRP 48 Cb 0.06 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.22 3m1i h TRP 48 CO 0.00 0.03 0.00 1.96 -1.28 0.00 0.00 178.44 179.15 3m1i h GLN 49 N 0.00 0.00 -0.00 0.12 4.20 -1.30 -2.59 115.11 115.53 3m1i h GLN 49 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3m1i h GLN 49 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 3m1i h GLN 49 CO 0.00 0.00 -0.62 1.63 -0.67 0.00 0.00 178.83 179.18 3m1i n LYS 50 N -2.62 0.11 -0.14 1.46 4.76 -0.27 -4.55 118.16 116.92 3m1i n LYS 50 Ca -0.01 -0.08 -0.08 0.00 -2.87 0.00 0.00 58.31 55.28 3m1i n LYS 50 Cb 0.15 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 3m1i n LYS 50 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3m1i h ALA 51 N 3.09 0.53 -0.86 7.82 0.00 -1.52 -0.83 119.26 127.49 3m1i h ALA 51 Ca 0.00 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.90 3m1i h ALA 51 Cb 0.51 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 3m1i h ALA 51 CO 0.00 0.04 0.54 0.22 0.00 0.00 0.00 179.25 180.05 3m1i h ASP 52 N 0.55 0.86 -0.40 0.00 3.58 -1.80 0.55 116.42 119.75 3m1i h ASP 52 Ca 0.15 0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.52 3m1i h ASP 52 Cb 0.03 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 40.90 3m1i h ASP 52 CO -0.03 0.55 -0.10 -0.61 -2.88 0.00 0.00 179.24 176.18 3m1i h GLN 53 N 0.99 0.77 -0.30 0.28 4.15 -1.74 -0.23 115.11 119.04 3m1i h GLN 53 Ca 0.37 -0.30 -0.05 0.00 0.77 0.00 0.00 58.65 59.45 3m1i h GLN 53 Cb 0.14 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 3m1i h GLN 53 CO -0.16 0.91 0.00 0.82 -1.93 0.00 0.00 178.83 178.46 3m1i h ILE 54 N 0.59 1.26 -0.66 2.39 2.04 -0.63 -1.19 117.51 121.30 3m1i h ILE 54 Ca 0.10 -0.94 -0.00 0.00 1.00 0.00 0.00 64.86 65.02 3m1i h ILE 54 Cb 0.62 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 3m1i h ILE 54 CO 0.04 0.30 0.39 -0.07 0.00 0.00 0.00 178.15 178.82 3m1i h LEU 55 N 0.32 0.79 0.15 1.44 4.07 -0.63 -0.46 115.31 120.99 3m1i h LEU 55 Ca 0.08 -0.06 -0.01 0.00 0.08 0.00 0.00 57.88 57.97 3m1i h LEU 55 Cb 0.43 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.97 3m1i h LEU 55 CO 0.02 0.62 -0.07 1.56 -1.08 0.00 0.00 178.44 179.49 3m1i h GLN 56 N 0.89 -0.20 0.00 1.13 4.20 -0.96 -3.40 115.11 116.78 3m1i h GLN 56 Ca 0.24 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.96 3m1i h GLN 56 Cb -0.02 0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.81 3m1i h GLN 56 CO -0.04 -0.06 -0.72 1.19 -0.67 0.00 0.00 178.83 178.52 3m1i n PHE 57 N -5.14 0.00 -2.30 2.96 3.72 -0.46 -5.01 117.46 111.23 3m1i n PHE 57 Ca -0.09 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 56.94 3m1i n PHE 57 Cb 0.14 -0.04 -0.01 0.00 -0.94 0.00 0.00 39.48 38.62 3m1i n PHE 57 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3m1i s SER 58 N -2.36 6.26 -0.03 4.37 0.15 -0.19 -4.92 113.70 116.99 3m1i s SER 58 Ca 0.03 2.27 0.17 0.00 0.70 0.00 0.00 55.95 59.12 3m1i s SER 58 Cb 0.09 -2.60 0.52 0.00 -1.71 0.00 0.00 66.02 62.32 3m1i s SER 58 CO 0.52 -0.85 1.44 0.35 1.20 0.00 0.00 173.24 175.89 3m1i n THR 59 N -0.41 1.21 -3.93 6.45 -2.24 -1.26 -4.90 114.28 109.20 3m1i n THR 59 Ca 0.07 -1.09 -0.35 0.00 -2.27 0.00 0.00 64.05 60.42 3m1i n THR 59 Cb 0.48 0.39 -0.14 0.00 -2.10 0.00 0.00 70.33 68.97 3m1i n THR 59 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3m1i s ASN 60 N -1.04 4.77 0.55 3.42 3.84 -1.26 -4.99 114.94 120.22 3m1i s ASN 60 Ca 0.39 -1.21 0.23 0.00 0.21 0.00 0.00 52.86 52.48 3m1i s ASN 60 Cb 0.22 -1.69 1.47 0.00 -0.55 0.00 0.00 41.25 40.70 3m1i s ASN 60 CO 0.24 -0.23 2.12 -0.65 -2.79 0.00 0.00 177.10 175.78 3m1i h PRO 61 N 7.99 0.00 -0.41 0.43 0.11 -2.00 -1.35 132.00 136.77 3m1i h PRO 61 Ca -0.23 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.76 3m1i h PRO 61 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3m1i h PRO 61 CO 0.53 0.00 -0.22 1.96 -0.21 0.00 0.00 178.00 180.06 3m1i h GLN 62 N 0.00 0.82 -0.68 1.05 7.50 -1.99 -0.62 115.11 121.19 3m1i h GLN 62 Ca 0.08 -0.33 0.05 0.00 0.50 0.00 0.00 58.65 58.94 3m1i h GLN 62 Cb 0.34 -0.04 -0.05 0.00 0.05 0.00 0.00 27.48 27.79 3m1i h GLN 62 CO -0.00 0.96 0.39 0.77 -1.50 0.00 0.00 178.83 179.45 3m1i h SER 63 N 0.71 0.61 -0.43 1.46 0.02 -1.65 -1.13 113.55 113.13 3m1i h SER 63 Ca 0.10 0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.94 3m1i h SER 63 Cb 0.75 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 3m1i h SER 63 CO 0.06 0.40 -0.19 0.11 -1.14 0.00 0.00 176.83 176.07 3m1i h LYS 64 N 0.74 0.93 -0.23 3.45 1.57 -1.28 -1.17 116.57 120.59 3m1i h LYS 64 Ca 0.29 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3m1i h LYS 64 Cb 0.13 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3m1i h LYS 64 CO -0.16 1.03 0.15 0.35 -0.57 0.00 0.00 179.45 180.26 3m1i h PHE 65 N 0.81 0.28 -0.52 -1.35 3.57 -0.72 -0.97 116.94 118.05 3m1i h PHE 65 Ca 0.11 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 3m1i h PHE 65 Cb 0.74 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 3m1i h PHE 65 CO 0.05 0.18 0.11 0.82 -2.23 0.00 0.00 178.31 177.24 3m1i h ILE 66 N 0.30 1.25 -0.84 1.41 2.04 -1.16 -0.77 117.51 119.74 3m1i h ILE 66 Ca 0.08 -0.89 0.19 0.00 1.00 0.00 0.00 64.86 65.25 3m1i h ILE 66 Cb -0.03 0.82 -0.12 0.00 -0.74 0.00 0.00 36.82 36.75 3m1i h ILE 66 CO -0.02 0.32 0.32 0.00 0.00 0.00 0.00 178.15 178.77 3m1i h ALA 67 N 0.99 1.26 -0.65 1.87 0.00 -0.95 -0.03 119.26 121.76 3m1i h ALA 67 Ca 0.16 0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 3m1i h ALA 67 Cb 0.36 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3m1i h ALA 67 CO 0.00 -0.32 0.20 -0.07 0.00 0.00 0.00 179.25 179.06 3m1i h LEU 68 N 0.37 0.93 -1.38 0.00 3.38 -0.37 -0.97 115.31 117.26 3m1i h LEU 68 Ca 0.51 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.30 3m1i h LEU 68 Cb 0.91 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 3m1i h LEU 68 CO -0.51 0.87 0.28 0.28 0.09 0.00 0.00 178.44 179.45 3m1i h SER 69 N 0.96 0.62 -0.07 -0.43 0.02 -0.08 0.24 113.55 114.81 3m1i h SER 69 Ca 0.21 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 3m1i h SER 69 Cb 0.28 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 3m1i h SER 69 CO -0.01 0.50 0.02 0.40 -1.14 0.00 0.00 176.83 176.61 3m1i h ILE 70 N 0.71 1.17 -0.64 3.27 2.04 -0.28 -2.26 117.51 121.52 3m1i h ILE 70 Ca 0.18 -0.52 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 3m1i h ILE 70 Cb 0.02 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 3m1i h ILE 70 CO -0.03 0.15 0.40 -0.07 0.00 0.00 0.00 178.15 178.60 3m1i h LEU 71 N -0.08 0.76 -0.43 1.44 4.07 -0.97 -2.41 115.31 117.69 3m1i h LEU 71 Ca 0.02 -0.05 0.08 0.00 0.08 0.00 0.00 57.88 58.02 3m1i h LEU 71 Cb 0.21 -0.19 -0.08 0.00 1.08 0.00 0.00 40.66 41.68 3m1i h LEU 71 CO -0.00 0.58 -0.06 -0.78 -1.08 0.00 0.00 178.44 177.10 3m1i h ASP 72 N 0.87 -0.31 -0.74 -0.43 1.82 -0.42 0.20 116.42 117.42 3m1i h ASP 72 Ca 0.23 0.12 -0.06 0.00 -0.39 0.00 0.00 57.03 56.93 3m1i h ASP 72 Cb -0.05 0.23 -0.03 0.00 0.68 0.00 0.00 39.33 40.16 3m1i h ASP 72 CO -0.05 -0.11 0.23 0.50 -1.61 0.00 0.00 179.24 178.21 3m1i h LYS 73 N 0.04 1.15 0.06 0.28 3.64 -1.25 -0.22 116.57 120.28 3m1i h LYS 73 Ca 0.21 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3m1i h LYS 73 Cb 0.32 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3m1i h LYS 73 CO -0.41 0.97 -0.07 1.25 -2.27 0.00 0.00 179.45 178.93 3m1i h LEU 74 N 1.09 -0.19 -0.67 5.20 5.85 -0.95 -0.88 115.31 124.76 3m1i h LEU 74 Ca 0.24 0.02 0.05 0.00 0.84 0.00 0.00 57.88 59.03 3m1i h LEU 74 Cb 0.30 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 3m1i h LEU 74 CO -0.01 -0.11 0.39 0.40 -0.34 0.00 0.00 178.44 178.77 3m1i h ILE 75 N -0.16 1.01 -0.04 4.05 2.04 -0.41 0.81 117.51 124.81 3m1i h ILE 75 Ca 0.01 -0.25 -0.18 0.00 1.00 0.00 0.00 64.86 65.44 3m1i h ILE 75 Cb 0.16 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 3m1i h ILE 75 CO -0.03 0.13 -0.75 0.71 0.00 0.00 0.00 178.15 178.21 3m1i h THR 76 N 0.73 1.42 0.00 -0.27 1.35 -1.02 -3.33 112.91 111.79 3m1i h THR 76 Ca 0.29 -2.27 -0.18 0.00 -0.55 0.00 0.00 66.41 63.70 3m1i h THR 76 Cb 0.13 2.21 -0.03 0.00 -1.73 0.00 0.00 68.15 68.73 3m1i h THR 76 CO -0.16 0.67 -1.83 0.54 -0.25 0.00 0.00 175.52 174.49 3m1i n ARG 77 N -3.78 1.55 0.00 4.72 1.74 -0.34 -4.80 116.66 115.74 3m1i n ARG 77 Ca -0.04 -0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 3m1i n ARG 77 Cb 0.72 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.83 3m1i n ARG 77 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3m1i n LYS 78 N -2.37 -0.06 -0.28 5.56 5.02 0.19 -1.58 118.16 124.64 3m1i n LYS 78 Ca -0.17 -0.35 0.11 0.00 -2.02 0.00 0.00 58.31 55.88 3m1i n LYS 78 Cb 0.79 -0.70 0.26 0.00 -0.02 0.00 0.00 35.03 35.36 3m1i n LYS 78 CO 0.00 0.00 0.00 2.35 -0.52 0.00 0.00 177.40 179.23 3m1i h TRP 79 N 0.00 0.38 -0.65 2.13 2.91 -1.43 -1.59 115.95 117.70 3m1i h TRP 79 Ca 0.00 0.05 -0.03 0.00 1.13 0.00 0.00 58.89 60.04 3m1i h TRP 79 Cb 0.41 -0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 28.99 3m1i h TRP 79 CO 0.00 -0.14 0.31 0.87 -1.03 0.00 0.00 178.44 178.45 3m1i h LYS 80 N 0.27 0.94 -0.14 2.65 6.56 -1.89 -2.14 116.57 122.82 3m1i h LYS 80 Ca 0.51 -0.14 0.04 0.00 -1.06 0.00 0.00 60.65 60.00 3m1i h LYS 80 Cb 0.97 -0.17 -0.01 0.00 -0.57 0.00 0.00 32.23 32.45 3m1i h LYS 80 CO -0.58 0.75 0.41 -0.07 -2.06 0.00 0.00 179.45 177.90 3m1i h LEU 81 N 0.90 0.00 -9.46 2.94 3.38 -1.54 -3.44 115.31 108.09 3m1i h LEU 81 Ca 0.22 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.66 3m1i h LEU 81 Cb 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3m1i h LEU 81 CO -0.03 0.00 0.32 -0.22 0.09 0.00 0.00 178.44 178.61 3m1i s LEU 82 N -6.25 4.41 0.27 1.67 2.96 -0.81 -5.02 118.68 115.92 3m1i s LEU 82 Ca -0.03 1.64 -0.30 0.00 -0.22 0.00 0.00 54.13 55.22 3m1i s LEU 82 Cb 0.10 -3.50 -0.13 0.00 0.50 0.00 0.00 46.19 43.16 3m1i s LEU 82 CO 0.35 -0.16 1.31 -0.81 -1.32 0.00 0.00 176.35 175.71 3m1i n PRO 83 N 3.46 1.92 -0.13 0.98 -0.04 -1.26 -4.84 135.00 135.08 3m1i n PRO 83 Ca 0.04 0.68 0.28 0.00 -0.04 0.00 0.00 63.50 64.45 3m1i n PRO 83 Cb 0.50 -2.27 0.72 0.00 -0.04 0.00 0.00 33.50 32.42 3m1i n PRO 83 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 3m1i h ASN 84 N 3.39 0.00 -0.21 3.54 -1.24 -1.95 -0.78 115.58 118.33 3m1i h ASN 84 Ca -0.45 0.00 0.04 0.00 0.71 0.00 0.00 56.30 56.61 3m1i h ASN 84 Cb 1.29 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 40.27 3m1i h ASN 84 CO 0.70 0.00 -0.48 0.44 -1.29 0.00 0.00 177.43 176.79 3m1i h ASP 85 N 0.00 -1.55 -0.04 1.15 5.19 -2.01 -1.73 116.42 117.43 3m1i h ASP 85 Ca 0.39 0.20 -0.03 0.00 -0.62 0.00 0.00 57.03 56.98 3m1i h ASP 85 Cb 1.70 0.63 -0.01 0.00 0.18 0.00 0.00 39.33 41.83 3m1i h ASP 85 CO -0.00 -0.44 -0.03 0.45 -3.12 0.00 0.00 179.24 176.10 3m1i h HIS 86 N -0.49 0.19 -0.25 4.55 -0.00 -1.50 -2.96 115.15 114.69 3m1i h HIS 86 Ca 0.07 -0.01 -0.16 0.00 -0.00 0.00 0.00 60.37 60.27 3m1i h HIS 86 Cb 0.64 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 27.99 3m1i h HIS 86 CO -0.57 0.24 -0.47 0.00 -0.00 0.00 0.00 177.93 177.12 3m1i h ARG 87 N 0.19 0.77 -0.18 2.45 3.08 -1.22 -1.44 114.38 118.03 3m1i h ARG 87 Ca 0.05 -0.49 -0.14 0.00 0.07 0.00 0.00 59.98 59.46 3m1i h ARG 87 Cb 0.19 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 3m1i h ARG 87 CO 0.01 1.11 -0.50 0.82 -1.07 0.00 0.00 179.97 180.34 3m1i h ILE 88 N 0.51 1.32 -0.19 2.04 2.04 -1.35 -2.44 117.51 119.44 3m1i h ILE 88 Ca 0.01 -1.73 -0.17 0.00 1.00 0.00 0.00 64.86 63.97 3m1i h ILE 88 Cb 1.08 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 38.89 3m1i h ILE 88 CO 0.11 0.53 -0.55 1.23 0.00 0.00 0.00 178.15 179.47 3m1i h GLY 89 N 1.13 0.79 0.74 5.37 0.00 -1.38 -0.39 103.07 109.33 3m1i h GLY 89 Ca 0.02 -1.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.34 3m1i h GLY 89 CO 0.09 0.90 -0.26 -2.22 0.00 0.00 0.00 176.54 175.05 3m1i h ILE 90 N 0.42 0.45 -0.80 2.60 2.04 -1.28 0.16 117.51 121.11 3m1i h ILE 90 Ca -0.01 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.95 3m1i h ILE 90 Cb 1.17 0.45 -0.07 0.00 -0.74 0.00 0.00 36.82 37.63 3m1i h ILE 90 CO 0.12 0.00 0.44 -0.09 0.00 0.00 0.00 178.15 178.61 3m1i h ARG 91 N -0.57 0.70 -0.49 2.37 2.43 -1.35 -0.25 114.38 117.21 3m1i h ARG 91 Ca -0.02 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 3m1i h ARG 91 Cb 0.52 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 3m1i h ARG 91 CO -0.03 0.46 0.22 -0.91 -1.51 0.00 0.00 179.97 178.19 3m1i h ASN 92 N 0.72 0.66 1.00 -3.80 2.35 -0.37 0.07 115.58 116.20 3m1i h ASN 92 Ca 0.39 -0.15 -0.18 0.00 -0.55 0.00 0.00 56.30 55.81 3m1i h ASN 92 Cb 0.40 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.57 3m1i h ASN 92 CO -0.27 0.63 -0.86 2.19 -1.65 0.00 0.00 177.43 177.47 3m1i h PHE 93 N 0.65 0.00 -0.22 1.19 -5.15 -0.20 0.49 116.94 113.70 3m1i h PHE 93 Ca 0.17 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.91 3m1i h PHE 93 Cb 0.16 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.32 3m1i h PHE 93 CO -0.00 0.86 0.02 0.28 -2.00 0.00 0.00 178.31 177.48 3m1i h VAL 94 N 0.00 1.24 -0.95 0.88 2.07 -0.93 0.02 116.25 118.58 3m1i h VAL 94 Ca -0.01 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 3m1i h VAL 94 Cb 1.60 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 32.66 3m1i h VAL 94 CO 0.11 0.25 0.57 0.58 0.02 0.00 0.00 177.57 179.09 3m1i h VAL 95 N 0.16 1.26 -0.25 2.57 2.07 -0.91 -2.18 116.25 118.96 3m1i h VAL 95 Ca 0.06 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 3m1i h VAL 95 Cb 0.35 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 3m1i h VAL 95 CO 0.01 0.28 0.07 1.23 0.02 0.00 0.00 177.57 179.18 3m1i h GLY 96 N 1.31 0.42 0.27 2.17 0.00 -0.80 -1.10 103.07 105.34 3m1i h GLY 96 Ca 0.34 -0.25 0.13 0.00 0.00 0.00 0.00 47.33 47.55 3m1i h GLY 96 CO -0.06 0.24 0.37 1.98 0.00 0.00 0.00 176.54 179.06 3m1i h MET 97 N 0.24 0.54 -0.25 4.80 -1.53 -0.84 -1.36 114.93 116.54 3m1i h MET 97 Ca 0.08 -0.03 -0.07 0.00 -3.44 0.00 0.00 59.70 56.23 3m1i h MET 97 Cb 0.25 -0.12 -0.01 0.00 -0.55 0.00 0.00 31.60 31.17 3m1i h MET 97 CO -0.00 0.36 -0.14 0.82 0.14 0.00 0.00 176.91 178.09 3m1i h ILE 98 N 0.56 1.30 -0.85 1.77 2.04 -0.88 -1.89 117.51 119.56 3m1i h ILE 98 Ca 0.42 -1.23 0.08 0.00 1.00 0.00 0.00 64.86 65.12 3m1i h ILE 98 Cb 0.56 1.58 -0.07 0.00 -0.74 0.00 0.00 36.82 38.16 3m1i h ILE 98 CO -0.35 0.38 0.51 0.40 0.00 0.00 0.00 178.15 179.10 3m1i h ILE 99 N 0.25 0.98 0.28 -0.67 2.04 -0.92 -1.11 117.51 118.35 3m1i h ILE 99 Ca 0.05 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 3m1i h ILE 99 Cb 0.65 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 3m1i h ILE 99 CO 0.04 0.16 -0.17 0.28 0.00 0.00 0.00 178.15 178.46 3m1i h SER 100 N 0.90 -0.43 -0.59 1.72 0.02 -0.93 -1.87 113.55 112.37 3m1i h SER 100 Ca 0.39 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.38 3m1i h SER 100 Cb 0.26 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 3m1i h SER 100 CO -0.21 -0.28 0.38 0.24 -1.14 0.00 0.00 176.83 175.82 3m1i h MET 101 N -0.43 0.74 -0.70 3.45 2.86 -0.94 -2.04 114.93 117.87 3m1i h MET 101 Ca -0.03 -0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.64 3m1i h MET 101 Cb 0.36 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 3m1i h MET 101 CO 0.03 0.49 0.46 0.00 1.06 0.00 0.00 176.91 178.95 3m1i h GLN 103 N 0.69 0.46 -5.75 0.00 4.20 -0.65 -3.40 115.11 110.65 3m1i h GLN 103 Ca 0.31 -0.27 -0.62 0.00 0.06 0.00 0.00 58.65 58.13 3m1i h GLN 103 Cb 0.31 0.02 -0.12 0.00 0.30 0.00 0.00 27.48 27.99 3m1i h GLN 103 CO -0.10 0.86 1.05 0.34 -0.67 0.00 0.00 178.83 180.31 3m1i s ASP 104 N -6.89 6.40 0.31 1.46 -1.08 -0.92 -4.91 116.67 111.03 3m1i s ASP 104 Ca -0.06 -1.31 0.07 0.00 -0.52 0.00 0.00 52.55 50.74 3m1i s ASP 104 Cb 0.12 -2.49 0.85 0.00 -1.46 0.00 0.00 42.92 39.93 3m1i s ASP 104 CO 0.82 -1.45 1.69 0.44 0.52 0.00 0.00 175.17 177.19 3m1i h ASP 105 N 9.56 0.42 -0.01 -0.34 5.19 -1.82 0.13 116.42 129.55 3m1i h ASP 105 Ca -0.01 0.16 -0.16 0.00 -0.62 0.00 0.00 57.03 56.41 3m1i h ASP 105 Cb 1.03 0.12 -0.01 0.00 0.18 0.00 0.00 39.33 40.66 3m1i h ASP 105 CO 1.27 -0.02 -0.54 -0.33 -3.12 0.00 0.00 179.24 176.50 3m1i h GLU 106 N 0.41 0.58 -0.19 3.56 5.08 -1.92 -1.80 114.58 120.30 3m1i h GLU 106 Ca 0.62 -0.36 -0.10 0.00 -1.00 0.00 0.00 59.36 58.52 3m1i h GLU 106 Cb 1.25 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 3m1i h GLU 106 CO -0.55 0.97 -0.27 0.28 -1.00 0.00 0.00 179.01 178.44 3m1i h VAL 107 N 0.45 1.34 -0.68 3.13 2.07 -1.11 -0.13 116.25 121.32 3m1i h VAL 107 Ca 0.01 -1.48 0.10 0.00 0.82 0.00 0.00 66.70 66.16 3m1i h VAL 107 Cb 1.08 1.84 -0.07 0.00 -1.52 0.00 0.00 31.29 32.62 3m1i h VAL 107 CO 0.10 0.45 0.30 0.15 0.02 0.00 0.00 177.57 178.60 3m1i h PHE 108 N 0.18 0.54 -0.35 1.57 3.57 -1.07 0.22 116.94 121.60 3m1i h PHE 108 Ca 0.02 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.42 3m1i h PHE 108 Cb 0.84 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 3m1i h PHE 108 CO 0.09 0.16 -0.29 0.87 -2.23 0.00 0.00 178.31 176.91 3m1i h LYS 109 N 0.51 0.81 -0.00 1.11 1.79 -1.28 -3.38 116.57 116.13 3m1i h LYS 109 Ca 0.34 -0.40 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 3m1i h LYS 109 Cb 0.41 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 3m1i h LYS 109 CO -0.30 1.04 -0.79 0.25 -1.08 0.00 0.00 179.45 178.57 3m1i n THR 110 N -4.20 0.00 -2.35 -0.16 -2.24 -0.07 -4.46 114.28 100.81 3m1i n THR 110 Ca -0.03 -0.01 -0.23 0.00 -2.27 0.00 0.00 64.05 61.51 3m1i n THR 110 Cb 0.48 0.72 0.01 0.00 -2.10 0.00 0.00 70.33 69.44 3m1i n THR 110 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3m1i n GLN 111 N -1.44 3.26 -0.26 -0.78 6.02 0.74 -4.83 117.38 120.10 3m1i n GLN 111 Ca 0.05 -4.26 0.06 0.00 -0.01 0.00 0.00 57.00 52.85 3m1i n GLN 111 Cb 0.34 -2.16 0.19 0.00 1.02 0.00 0.00 30.24 29.63 3m1i n GLN 111 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 3m1i h LYS 112 N 2.47 0.29 -0.45 -1.09 6.56 -1.78 -1.47 116.57 121.11 3m1i h LYS 112 Ca 0.28 -0.02 0.07 0.00 -1.06 0.00 0.00 60.65 59.92 3m1i h LYS 112 Cb 1.17 -0.07 -0.06 0.00 -0.57 0.00 0.00 32.23 32.71 3m1i h LYS 112 CO 0.76 0.19 0.12 -0.91 -2.06 0.00 0.00 179.45 177.56 3m1i h ASN 113 N 0.30 0.07 -0.09 0.86 2.35 -1.97 0.47 115.58 117.58 3m1i h ASN 113 Ca 0.43 0.07 -0.13 0.00 -0.55 0.00 0.00 56.30 56.12 3m1i h ASN 113 Cb 0.74 0.08 0.01 0.00 0.05 0.00 0.00 38.32 39.19 3m1i h ASN 113 CO -0.50 0.07 -0.45 0.25 -1.65 0.00 0.00 177.43 175.15 3m1i h LEU 114 N 0.27 0.54 -0.50 1.61 5.85 -1.78 -1.97 115.31 119.33 3m1i h LEU 114 Ca 0.22 -0.65 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3m1i h LEU 114 Cb 0.26 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3m1i h LEU 114 CO -0.26 1.10 0.33 0.40 -0.34 0.00 0.00 178.44 179.67 3m1i h ILE 115 N 0.02 1.13 -0.78 4.05 2.04 -1.08 0.31 117.51 123.19 3m1i h ILE 115 Ca -0.03 -0.26 -0.05 0.00 1.00 0.00 0.00 64.86 65.52 3m1i h ILE 115 Cb 1.10 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 3m1i h ILE 115 CO 0.09 0.13 0.30 0.78 0.00 0.00 0.00 178.15 179.45 3m1i h ASN 116 N 0.68 1.10 -0.48 1.72 2.35 -0.88 0.22 115.58 120.28 3m1i h ASN 116 Ca 0.18 -0.18 -0.11 0.00 -0.55 0.00 0.00 56.30 55.64 3m1i h ASN 116 Cb -0.07 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.00 3m1i h ASN 116 CO -0.04 0.98 -0.12 0.50 -1.65 0.00 0.00 177.43 177.11 3m1i h LYS 117 N 1.15 0.96 -0.48 0.81 1.63 -1.22 -0.20 116.57 119.21 3m1i h LYS 117 Ca 0.26 -0.35 -0.04 0.00 -0.85 0.00 0.00 60.65 59.67 3m1i h LYS 117 Cb 0.24 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.79 3m1i h LYS 117 CO -0.02 1.02 0.15 0.77 -3.45 0.00 0.00 179.45 177.92 3m1i h SER 118 N 0.86 0.70 -0.96 4.20 0.02 0.12 0.20 113.55 118.69 3m1i h SER 118 Ca 0.13 -0.21 0.09 0.00 -0.84 0.00 0.00 61.79 60.97 3m1i h SER 118 Cb 0.67 -0.18 -0.07 0.00 0.14 0.00 0.00 62.40 62.95 3m1i h SER 118 CO 0.05 0.72 0.60 0.44 -1.14 0.00 0.00 176.83 177.50 3m1i h ASP 119 N 0.65 0.92 -0.24 3.07 3.32 -0.42 -0.61 116.42 123.12 3m1i h ASP 119 Ca 0.16 0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.12 3m1i h ASP 119 Cb 0.27 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3m1i h ASP 119 CO -0.01 0.55 -0.24 0.25 -1.72 0.00 0.00 179.24 178.08 3m1i h LEU 120 N 1.03 0.72 -0.42 1.55 5.85 -0.45 -1.54 115.31 122.05 3m1i h LEU 120 Ca 0.44 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 3m1i h LEU 120 Cb 0.30 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3m1i h LEU 120 CO -0.22 0.93 0.09 0.74 -0.34 0.00 0.00 178.44 179.65 3m1i h THR 121 N 0.62 1.24 -0.58 1.05 2.02 -0.36 -0.84 112.91 116.05 3m1i h THR 121 Ca 0.09 -0.82 0.09 0.00 0.77 0.00 0.00 66.41 66.53 3m1i h THR 121 Cb 0.73 0.97 -0.07 0.00 -1.74 0.00 0.00 68.15 68.04 3m1i h THR 121 CO 0.06 0.29 0.20 0.25 0.37 0.00 0.00 175.52 176.68 3m1i h LEU 122 N 0.54 0.17 -1.01 2.58 5.85 -0.98 -2.29 115.31 120.18 3m1i h LEU 122 Ca 0.13 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 3m1i h LEU 122 Cb 0.34 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 3m1i h LEU 122 CO 0.00 0.11 0.52 0.58 -0.34 0.00 0.00 178.44 179.31 3m1i h VAL 123 N 0.37 1.25 -0.66 1.05 2.07 -0.91 -0.09 116.25 119.33 3m1i h VAL 123 Ca 0.29 -0.56 0.02 0.00 0.82 0.00 0.00 66.70 67.28 3m1i h VAL 123 Cb 0.37 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.13 3m1i h VAL 123 CO -0.31 0.26 0.44 1.56 0.02 0.00 0.00 177.57 179.54 3m1i h GLN 124 N 1.22 0.80 -0.12 1.57 1.08 -0.61 -0.37 115.11 118.68 3m1i h GLN 124 Ca 0.31 -0.05 -0.17 0.00 -1.45 0.00 0.00 58.65 57.29 3m1i h GLN 124 Cb -0.03 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.22 3m1i h GLN 124 CO -0.06 0.53 -0.64 0.82 -0.95 0.00 0.00 178.83 178.53 3m1i h ILE 125 N 0.82 1.35 -0.72 2.54 2.04 -0.87 -2.67 117.51 120.00 3m1i h ILE 125 Ca 0.26 -1.97 0.03 0.00 1.00 0.00 0.00 64.86 64.17 3m1i h ILE 125 Cb 0.01 1.96 -0.04 0.00 -0.74 0.00 0.00 36.82 38.01 3m1i h ILE 125 CO -0.07 0.60 0.48 -0.07 0.00 0.00 0.00 178.15 179.09 3m1i h LEU 126 N 0.33 0.77 -1.39 1.44 3.38 -0.05 -0.62 115.31 119.17 3m1i h LEU 126 Ca -0.01 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3m1i h LEU 126 Cb 1.20 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 3m1i h LEU 126 CO 0.11 0.53 0.06 0.11 0.09 0.00 0.00 178.44 179.34 3m1i h LYS 127 N 0.89 0.46 0.02 1.13 1.57 -0.77 0.07 116.57 119.95 3m1i h LYS 127 Ca 0.28 -0.07 -0.28 0.00 -1.87 0.00 0.00 60.65 58.71 3m1i h LYS 127 Cb 0.03 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 3m1i h LYS 127 CO -0.08 0.45 -1.52 1.96 -0.57 0.00 0.00 179.45 179.69 3m1i h GLN 128 N 0.46 0.05 0.00 3.15 1.08 -1.13 -3.42 115.11 115.29 3m1i h GLN 128 Ca 0.11 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3m1i h GLN 128 Cb 0.21 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 3m1i h GLN 128 CO -0.00 0.75 -0.76 0.39 -0.95 0.00 0.00 178.83 178.26 3m1i n GLU 129 N -3.20 2.15 -4.03 1.46 -0.58 -0.32 -4.97 120.64 111.14 3m1i n GLU 129 Ca -0.13 -0.01 -0.36 0.00 -0.42 0.00 0.00 57.16 56.24 3m1i n GLU 129 Cb 1.02 -0.89 -0.07 0.00 -0.57 0.00 0.00 31.44 30.93 3m1i n GLU 129 CO 0.00 0.00 0.00 -0.46 -0.48 0.00 0.00 177.13 176.19 3m1i s TRP 130 N -1.82 3.45 -1.43 -0.32 -0.00 -0.01 0.04 118.94 118.86 3m1i s TRP 130 Ca -0.00 0.41 0.24 0.00 -0.00 0.00 0.00 56.10 56.74 3m1i s TRP 130 Cb 0.01 -1.88 0.26 0.00 -0.00 0.00 0.00 33.47 31.86 3m1i s TRP 130 CO 0.08 0.65 1.25 -0.35 -0.00 0.00 0.00 176.95 178.57 3m1i n PRO 131 N 1.92 0.49 -0.02 5.86 -0.04 -1.26 -4.83 135.00 137.12 3m1i n PRO 131 Ca -0.19 -0.36 0.06 0.00 -0.04 0.00 0.00 63.50 62.98 3m1i n PRO 131 Cb 0.54 -1.49 0.45 0.00 -0.04 0.00 0.00 33.50 32.96 3m1i n PRO 131 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 3m1i h GLN 132 N 0.87 0.49 -0.11 0.54 -0.00 -1.95 -2.00 115.11 112.94 3m1i h GLN 132 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.62 3m1i h GLN 132 Cb 0.56 -0.11 0.00 0.00 -0.00 0.00 0.00 27.48 27.93 3m1i h GLN 132 CO 0.00 0.32 0.00 0.09 -0.00 0.00 0.00 178.83 179.24 3m1i n ASN 133 N -4.48 2.68 -2.74 0.06 3.02 0.11 -4.70 115.26 109.22 3m1i n ASN 133 Ca 0.05 -2.62 -0.09 0.00 -0.03 0.00 0.00 54.58 51.89 3m1i n ASN 133 Cb 0.16 -0.31 0.09 0.00 -0.61 0.00 0.00 39.78 39.11 3m1i n ASN 133 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 3m1i n TRP 134 N -0.69 -2.13 0.27 3.10 -0.00 -0.82 -4.90 117.44 112.26 3m1i n TRP 134 Ca 0.12 -2.19 0.14 0.00 -0.00 0.00 0.00 57.50 55.57 3m1i n TRP 134 Cb 0.56 1.32 0.73 0.00 -0.00 0.00 0.00 31.31 33.92 3m1i n TRP 134 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 3m1i h PRO 135 N 2.51 0.00 0.00 5.87 0.13 -1.67 -1.86 132.00 136.98 3m1i h PRO 135 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 3m1i h PRO 135 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3m1i h PRO 135 CO 0.09 0.11 0.00 0.39 -0.23 0.00 0.00 178.00 178.36 3m1i n GLU 136 N -3.52 0.18 -0.09 0.86 4.71 -1.26 -4.44 120.64 117.07 3m1i n GLU 136 Ca -0.01 0.03 -0.09 0.00 -0.01 0.00 0.00 57.16 57.08 3m1i n GLU 136 Cb 0.25 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.16 3m1i n GLU 136 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 3m1i h PHE 137 N 0.00 -0.97 -0.06 -0.32 3.57 -1.73 0.24 116.94 117.67 3m1i h PHE 137 Ca 0.00 0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 3m1i h PHE 137 Cb 0.37 0.47 -0.00 0.00 2.79 0.00 0.00 35.95 39.59 3m1i h PHE 137 CO 0.00 -0.40 -0.08 0.82 -2.23 0.00 0.00 178.31 176.42 3m1i h ILE 138 N -0.30 1.39 -0.73 1.41 1.08 -1.84 0.02 117.51 118.55 3m1i h ILE 138 Ca 0.15 -1.31 0.05 0.00 -0.39 0.00 0.00 64.86 63.36 3m1i h ILE 138 Cb 0.55 2.12 -0.04 0.00 -3.07 0.00 0.00 36.82 36.38 3m1i h ILE 138 CO -0.51 0.36 0.48 -0.65 -0.69 0.00 0.00 178.15 177.14 3m1i h PRO 139 N -0.30 0.81 -0.28 2.37 0.11 -1.79 -0.44 132.00 132.48 3m1i h PRO 139 Ca 0.01 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.94 3m1i h PRO 139 Cb 0.62 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 3m1i h PRO 139 CO 0.02 0.53 -0.35 0.93 -0.21 0.00 0.00 178.00 178.92 3m1i h GLU 140 N 0.83 0.62 -0.47 1.05 5.08 -0.84 -1.97 114.58 118.88 3m1i h GLU 140 Ca 0.30 -0.30 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 3m1i h GLU 140 Cb 0.15 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3m1i h GLU 140 CO -0.09 0.88 -0.18 1.25 -1.00 0.00 0.00 179.01 179.87 3m1i h LEU 141 N 0.52 0.98 -0.11 1.33 7.12 -0.41 0.37 115.31 125.12 3m1i h LEU 141 Ca 0.05 -0.39 -0.00 0.00 0.13 0.00 0.00 57.88 57.67 3m1i h LEU 141 Cb 0.85 -0.27 -0.00 0.00 -0.53 0.00 0.00 40.66 40.71 3m1i h LEU 141 CO 0.07 1.15 0.05 0.40 -0.13 0.00 0.00 178.44 179.98 3m1i h ILE 142 N 0.81 1.12 -0.35 4.05 2.04 -0.97 -2.10 117.51 122.11 3m1i h ILE 142 Ca 0.11 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.65 3m1i h ILE 142 Cb 0.75 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 3m1i h ILE 142 CO 0.06 0.11 0.16 1.23 0.00 0.00 0.00 178.15 179.70 3m1i h GLY 143 N 0.05 0.47 2.00 5.37 0.00 -1.25 -2.81 103.07 106.90 3m1i h GLY 143 Ca 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 3m1i h GLY 143 CO -0.00 0.07 -0.09 1.48 0.00 0.00 0.00 176.54 177.99 3m1i h SER 144 N 0.33 0.00 -0.83 0.19 4.64 -0.81 -2.57 113.55 114.50 3m1i h SER 144 Ca 0.15 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.65 3m1i h SER 144 Cb 0.09 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.12 3m1i h SER 144 CO -0.13 0.09 0.55 0.28 -0.87 0.00 0.00 176.83 176.76 3m1i h SER 145 N 0.00 0.42 0.92 4.97 0.02 -1.10 -0.93 113.55 117.85 3m1i h SER 145 Ca -0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3m1i h SER 145 Cb 0.19 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.68 3m1i h SER 145 CO 0.01 0.19 0.00 -1.54 -1.14 0.00 0.00 176.83 174.36 3m1i n SER 146 N -4.50 0.65 0.20 3.07 3.41 -0.97 -3.59 113.62 111.90 3m1i n SER 146 Ca 0.17 0.63 0.08 0.00 -0.26 0.00 0.00 58.87 59.49 3m1i n SER 146 Cb 0.60 -0.78 0.35 0.00 -0.26 0.00 0.00 64.21 64.12 3m1i n SER 146 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3m1i h SER 147 N 0.00 0.00 -3.11 4.04 4.64 -1.30 -3.46 113.55 114.36 3m1i h SER 147 Ca 0.00 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.38 3m1i h SER 147 Cb 0.46 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.29 3m1i h SER 147 CO 0.00 0.29 0.43 -0.55 -0.87 0.00 0.00 176.83 176.12 3m1i s SER 148 N -6.27 -0.48 0.24 4.97 0.15 -1.24 -5.03 113.70 106.04 3m1i s SER 148 Ca 0.01 0.89 0.04 0.00 0.70 0.00 0.00 55.95 57.60 3m1i s SER 148 Cb 0.10 0.95 0.26 0.00 -1.71 0.00 0.00 66.02 65.62 3m1i s SER 148 CO 0.66 -0.15 1.57 1.62 1.20 0.00 0.00 173.24 178.14 3m1i h VAL 149 N 3.85 1.38 -0.62 4.45 3.04 -1.89 -1.07 116.25 125.39 3m1i h VAL 149 Ca -0.28 -1.93 -0.04 0.00 -1.01 0.00 0.00 66.70 63.44 3m1i h VAL 149 Cb 1.18 1.96 -0.03 0.00 -2.01 0.00 0.00 31.29 32.40 3m1i h VAL 149 CO 0.12 0.57 0.25 0.78 -1.01 0.00 0.00 177.57 178.28 3m1i h ASN 150 N 0.19 0.86 -0.49 3.17 2.35 -1.94 -1.44 115.58 118.28 3m1i h ASN 150 Ca -0.00 -0.17 -0.09 0.00 -0.55 0.00 0.00 56.30 55.48 3m1i h ASN 150 Cb 1.08 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 39.22 3m1i h ASN 150 CO 0.09 0.80 -0.05 0.58 -1.65 0.00 0.00 177.43 177.20 3m1i h VAL 151 N 0.87 1.27 -0.30 2.81 2.07 -1.77 0.14 116.25 121.34 3m1i h VAL 151 Ca 0.21 -1.15 0.04 0.00 0.82 0.00 0.00 66.70 66.61 3m1i h VAL 151 Cb 0.21 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 3m1i h VAL 151 CO -0.02 0.40 0.08 0.00 0.02 0.00 0.00 177.57 178.06 3m1i h GLU 153 N 0.20 0.10 -0.51 0.00 4.81 -1.03 -2.48 114.58 115.68 3m1i h GLU 153 Ca 0.14 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 3m1i h GLU 153 Cb 0.13 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 3m1i h GLU 153 CO -0.16 0.07 0.16 -0.97 -0.73 0.00 0.00 179.01 177.38 3m1i h ASN 154 N 0.10 0.69 -0.62 1.04 -1.24 -0.52 -1.12 115.58 113.91 3m1i h ASN 154 Ca 0.03 -0.10 0.07 0.00 0.71 0.00 0.00 56.30 57.01 3m1i h ASN 154 Cb -0.01 -0.18 -0.04 0.00 0.73 0.00 0.00 38.32 38.83 3m1i h ASN 154 CO -0.01 0.66 0.41 0.78 -1.29 0.00 0.00 177.43 177.98 3m1i h ASN 155 N 0.74 0.49 -0.28 1.15 2.35 -0.56 -1.05 115.58 118.42 3m1i h ASN 155 Ca 0.17 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.83 3m1i h ASN 155 Cb 0.22 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 3m1i h ASN 155 CO -0.01 0.31 -0.15 0.24 -1.65 0.00 0.00 177.43 176.18 3m1i h MET 156 N 0.56 0.71 0.07 0.81 2.86 -0.76 -1.59 114.93 117.59 3m1i h MET 156 Ca 0.27 -0.25 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3m1i h MET 156 Cb 0.35 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.95 3m1i h MET 156 CO -0.08 0.83 -0.03 0.82 1.06 0.00 0.00 176.91 179.50 3m1i h ILE 157 N 0.64 0.97 -0.54 -1.22 1.08 -0.98 -0.19 117.51 117.27 3m1i h ILE 157 Ca 0.10 -0.13 0.06 0.00 -0.39 0.00 0.00 64.86 64.50 3m1i h ILE 157 Cb 0.62 1.06 -0.05 0.00 -3.07 0.00 0.00 36.82 35.37 3m1i h ILE 157 CO 0.04 0.03 0.25 0.58 -0.69 0.00 0.00 178.15 178.36 3m1i h VAL 158 N -0.15 0.89 -0.30 1.67 2.07 -1.02 -0.70 116.25 118.70 3m1i h VAL 158 Ca -0.01 -0.16 -0.11 0.00 0.82 0.00 0.00 66.70 67.24 3m1i h VAL 158 Cb 0.13 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 3m1i h VAL 158 CO 0.02 0.09 -0.27 -0.07 0.02 0.00 0.00 177.57 177.35 3m1i h LEU 159 N 0.47 0.63 -0.46 2.57 3.38 -1.21 -0.82 115.31 119.87 3m1i h LEU 159 Ca 0.25 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 58.03 3m1i h LEU 159 Cb 0.21 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3m1i h LEU 159 CO -0.21 0.88 0.22 0.50 0.09 0.00 0.00 178.44 179.92 3m1i h LYS 160 N 0.53 0.43 -0.03 1.13 3.64 -0.68 -1.67 116.57 119.92 3m1i h LYS 160 Ca 0.07 -0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.28 3m1i h LYS 160 Cb 0.75 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 3m1i h LYS 160 CO 0.06 0.29 -0.65 -0.07 -2.27 0.00 0.00 179.45 176.80 3m1i h LEU 161 N 0.44 0.14 -0.32 5.20 3.38 -0.85 -1.99 115.31 121.32 3m1i h LEU 161 Ca 0.20 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3m1i h LEU 161 Cb 0.12 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3m1i h LEU 161 CO -0.15 0.75 0.13 0.25 0.09 0.00 0.00 178.44 179.52 3m1i h LEU 162 N 0.09 0.44 -0.75 1.67 5.85 -0.97 -0.93 115.31 120.71 3m1i h LEU 162 Ca -0.01 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.55 3m1i h LEU 162 Cb 1.17 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 3m1i h LEU 162 CO 0.09 0.49 0.49 -1.28 -0.34 0.00 0.00 178.44 177.89 3m1i h SER 163 N 0.37 0.84 -0.10 1.25 0.87 -1.06 -1.79 113.55 113.93 3m1i h SER 163 Ca 0.11 -0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.66 3m1i h SER 163 Cb 0.18 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 3m1i h SER 163 CO -0.01 0.60 0.04 -0.33 -0.53 0.00 0.00 176.83 176.61 3m1i h GLU 164 N 0.99 0.10 -0.01 2.24 5.08 -1.15 0.27 114.58 122.10 3m1i h GLU 164 Ca 0.28 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.49 3m1i h GLU 164 Cb -0.09 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3m1i h GLU 164 CO -0.07 0.06 -0.63 0.93 -1.00 0.00 0.00 179.01 178.30 3m1i h GLU 165 N 0.10 0.06 0.14 2.33 4.39 -0.90 0.50 114.58 121.19 3m1i h GLU 165 Ca 0.04 -0.04 -0.28 0.00 0.34 0.00 0.00 59.36 59.42 3m1i h GLU 165 Cb 0.01 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 3m1i h GLU 165 CO -0.04 0.67 -1.40 0.28 -1.16 0.00 0.00 179.01 177.36 3m1i h VAL 166 N 0.04 1.08 0.00 3.13 2.07 -1.22 -3.18 116.25 118.17 3m1i h VAL 166 Ca -0.01 -2.45 -0.33 0.00 0.82 0.00 0.00 66.70 64.74 3m1i h VAL 166 Cb 1.13 2.79 -0.06 0.00 -1.52 0.00 0.00 31.29 33.63 3m1i h VAL 166 CO 0.09 0.74 -2.24 0.49 0.02 0.00 0.00 177.57 176.67 3m1i n PHE 167 N -3.88 0.00 -0.04 1.57 3.72 0.94 -4.27 117.46 115.50 3m1i n PHE 167 Ca -0.23 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.10 3m1i n PHE 167 Cb 0.93 -0.85 -0.14 0.00 -0.94 0.00 0.00 39.48 38.48 3m1i n PHE 167 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3m1i n ASP 168 N -3.00 0.59 -0.06 4.37 8.00 -0.16 -4.54 116.55 121.76 3m1i n ASP 168 Ca -0.36 0.28 0.04 0.00 0.71 0.00 0.00 54.79 55.46 3m1i n ASP 168 Cb 0.96 0.34 0.06 0.00 -0.02 0.00 0.00 41.12 42.46 3m1i n ASP 168 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3m1i n PHE 169 N -2.91 0.00 0.14 1.24 3.01 -0.01 -4.74 117.46 114.18 3m1i n PHE 169 Ca -0.20 -0.64 0.01 0.00 1.01 0.00 0.00 57.45 57.62 3m1i n PHE 169 Cb 1.04 -0.09 0.14 0.00 -0.01 0.00 0.00 39.48 40.56 3m1i n PHE 169 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3m1i h SER 170 N 0.00 0.00 -3.28 4.37 4.64 -1.73 -3.38 113.55 114.17 3m1i h SER 170 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3m1i h SER 170 Cb 0.79 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.91 3m1i h SER 170 CO 0.00 0.58 0.67 0.00 -0.87 0.00 0.00 176.83 177.22 3m1i s ALA 171 N -3.29 3.55 0.00 5.18 0.00 -1.26 -1.54 121.76 124.40 3m1i s ALA 171 Ca 0.01 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.09 3m1i s ALA 171 Cb 0.10 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.72 3m1i s ALA 171 CO 0.74 -0.57 0.00 0.39 0.00 0.00 0.00 175.76 176.33 3m1i n GLU 172 N 2.98 0.00 0.00 0.00 -0.58 -1.26 -4.72 120.64 117.06 3m1i n GLU 172 Ca 0.08 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.89 3m1i n GLU 172 Cb 0.43 -1.61 -0.05 0.00 -0.57 0.00 0.00 31.44 29.64 3m1i n GLU 172 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3m1i n GLN 173 N -1.54 1.69 -4.26 3.49 10.64 -0.59 -4.87 117.38 121.95 3m1i n GLN 173 Ca 0.00 -0.42 -0.17 0.00 -1.83 0.00 0.00 57.00 54.58 3m1i n GLN 173 Cb 0.00 -1.27 -0.11 0.00 -0.86 0.00 0.00 30.24 28.00 3m1i n GLN 173 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 3m1i s MET 174 N -2.23 1.08 0.85 2.61 -1.94 -0.62 -4.99 119.30 114.05 3m1i s MET 174 Ca 0.10 -1.33 -0.10 0.00 -1.71 0.00 0.00 55.69 52.65 3m1i s MET 174 Cb 0.13 -0.90 0.10 0.00 2.01 0.00 0.00 34.83 36.18 3m1i s MET 174 CO 0.54 0.16 1.11 0.95 -0.01 0.00 0.00 175.02 177.77 3m1i s THR 175 N -2.46 2.76 0.24 2.05 -4.23 -1.26 -4.81 115.64 107.93 3m1i s THR 175 Ca 0.12 0.25 -0.05 0.00 -1.18 0.00 0.00 61.69 60.82 3m1i s THR 175 Cb -0.03 -2.54 0.20 0.00 1.34 0.00 0.00 72.50 71.46 3m1i s THR 175 CO 0.03 -0.32 1.79 1.56 -0.54 0.00 0.00 174.62 177.14 3m1i h GLN 176 N -1.49 0.64 -0.61 3.99 4.20 -1.91 -1.49 115.11 118.44 3m1i h GLN 176 Ca -0.44 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.15 3m1i h GLN 176 Cb 1.25 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.86 3m1i h GLN 176 CO 0.48 0.42 0.09 0.00 -0.67 0.00 0.00 178.83 179.15 3m1i h ALA 177 N 1.45 1.00 -0.25 3.87 0.00 -1.92 -1.10 119.26 122.31 3m1i h ALA 177 Ca 0.38 -0.26 -0.19 0.00 0.00 0.00 0.00 54.91 54.84 3m1i h ALA 177 Cb 0.40 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3m1i h ALA 177 CO -0.27 0.63 -0.58 -0.22 0.00 0.00 0.00 179.25 178.81 3m1i h LYS 178 N 0.94 0.83 -0.43 0.00 3.64 -1.77 -1.23 116.57 118.55 3m1i h LYS 178 Ca 0.19 -0.56 -0.00 0.00 -1.27 0.00 0.00 60.65 59.01 3m1i h LYS 178 Cb 0.42 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 3m1i h LYS 178 CO 0.01 1.19 0.26 0.00 -2.27 0.00 0.00 179.45 178.64 3m1i h ALA 179 N 0.64 0.55 -0.33 5.00 0.00 -1.21 0.00 119.26 123.92 3m1i h ALA 179 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3m1i h ALA 179 Cb 1.19 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3m1i h ALA 179 CO 0.13 0.04 0.21 1.25 0.00 0.00 0.00 179.25 180.87 3m1i h LEU 180 N 0.57 0.38 -0.49 0.00 5.85 -1.07 -0.02 115.31 120.53 3m1i h LEU 180 Ca 0.16 -0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.94 3m1i h LEU 180 Cb -0.01 -0.10 -0.10 0.00 0.37 0.00 0.00 40.66 40.83 3m1i h LEU 180 CO -0.03 0.30 -0.16 -0.74 -0.34 0.00 0.00 178.44 177.47 3m1i h HIS 181 N 0.43 -0.38 -0.32 1.25 2.76 -0.89 0.16 115.15 118.17 3m1i h HIS 181 Ca 0.12 0.05 -0.11 0.00 -2.20 0.00 0.00 60.37 58.23 3m1i h HIS 181 Cb -0.02 0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.18 3m1i h HIS 181 CO -0.05 -0.25 -0.23 -0.07 -1.30 0.00 0.00 177.93 176.04 3m1i h LEU 182 N -0.05 0.75 -0.76 0.26 3.38 -0.67 -1.37 115.31 116.85 3m1i h LEU 182 Ca 0.23 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 3m1i h LEU 182 Cb 0.41 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3m1i h LEU 182 CO -0.53 1.03 0.37 0.11 0.09 0.00 0.00 178.44 179.52 3m1i h LYS 183 N 0.48 1.09 -0.68 1.13 1.57 -0.73 -0.43 116.57 118.99 3m1i h LYS 183 Ca 0.06 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3m1i h LYS 183 Cb 0.78 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 3m1i h LYS 183 CO 0.06 0.84 0.38 -0.91 -0.57 0.00 0.00 179.45 179.26 3m1i h ASN 184 N 1.07 0.84 -0.35 0.86 2.35 -0.58 -0.87 115.58 118.90 3m1i h ASN 184 Ca 0.26 -0.09 -0.10 0.00 -0.55 0.00 0.00 56.30 55.82 3m1i h ASN 184 Cb 0.11 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 3m1i h ASN 184 CO -0.03 0.68 -0.15 0.28 -1.65 0.00 0.00 177.43 176.56 3m1i h SER 185 N 0.93 0.81 -0.09 5.81 0.02 -0.72 -1.29 113.55 119.03 3m1i h SER 185 Ca 0.24 -0.26 -0.20 0.00 -0.84 0.00 0.00 61.79 60.72 3m1i h SER 185 Cb 0.02 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.34 3m1i h SER 185 CO -0.04 0.96 -0.70 0.24 -1.14 0.00 0.00 176.83 176.15 3m1i h MET 186 N 0.72 0.72 -0.69 3.45 2.86 -0.91 -2.92 114.93 118.16 3m1i h MET 186 Ca 0.11 -0.55 0.07 0.00 -2.06 0.00 0.00 59.70 57.28 3m1i h MET 186 Cb 0.65 0.10 -0.06 0.00 0.06 0.00 0.00 31.60 32.35 3m1i h MET 186 CO 0.05 1.16 0.37 1.03 1.06 0.00 0.00 176.91 180.58 3m1i h SER 187 N 0.51 0.52 0.18 1.22 0.87 -0.96 -1.27 113.55 114.63 3m1i h SER 187 Ca -0.03 0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.49 3m1i h SER 187 Cb 1.31 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.20 3m1i h SER 187 CO 0.14 0.32 -0.32 0.11 -0.53 0.00 0.00 176.83 176.56 3m1i h LYS 188 N 0.66 0.22 -0.26 2.24 1.57 -1.12 -2.79 116.57 117.08 3m1i h LYS 188 Ca 0.32 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3m1i h LYS 188 Cb 0.26 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3m1i h LYS 188 CO -0.22 0.52 0.00 0.39 -0.57 0.00 0.00 179.45 179.57 3m1i n GLU 189 N -4.11 2.28 0.19 3.15 1.02 -1.00 -4.59 120.64 117.60 3m1i n GLU 189 Ca -0.01 -1.92 0.04 0.00 -0.02 0.00 0.00 57.16 55.25 3m1i n GLU 189 Cb 0.40 -1.48 0.40 0.00 -0.02 0.00 0.00 31.44 30.74 3m1i n GLU 189 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3m1i h PHE 190 N 3.98 0.00 -0.80 -0.32 3.04 -0.95 -2.92 116.94 118.98 3m1i h PHE 190 Ca 0.00 0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.04 3m1i h PHE 190 Cb 0.87 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 39.31 3m1i h PHE 190 CO 0.16 0.35 0.45 1.49 -2.02 0.00 0.00 178.31 178.74 3m1i h GLU 191 N 0.00 0.75 -0.56 1.11 4.57 -1.81 0.15 114.58 118.79 3m1i h GLU 191 Ca -0.00 -0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 58.04 3m1i h GLU 191 Cb 0.66 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 3m1i h GLU 191 CO 0.04 0.49 -0.02 -0.56 -1.18 0.00 0.00 179.01 177.79 3m1i h GLN 192 N 0.77 0.98 -0.19 1.92 3.07 -1.87 -1.81 115.11 117.98 3m1i h GLN 192 Ca 0.38 -0.31 -0.10 0.00 0.09 0.00 0.00 58.65 58.71 3m1i h GLN 192 Cb 0.33 -0.09 -0.00 0.00 0.08 0.00 0.00 27.48 27.80 3m1i h GLN 192 CO -0.24 0.98 -0.28 0.82 0.09 0.00 0.00 178.83 180.20 3m1i h ILE 193 N 0.90 1.34 -0.87 1.86 2.04 -1.44 -2.27 117.51 119.06 3m1i h ILE 193 Ca 0.16 -1.49 0.01 0.00 1.00 0.00 0.00 64.86 64.54 3m1i h ILE 193 Cb 0.55 1.84 -0.04 0.00 -0.74 0.00 0.00 36.82 38.43 3m1i h ILE 193 CO 0.03 0.46 0.58 0.15 0.00 0.00 0.00 178.15 179.37 3m1i h PHE 194 N 0.19 1.10 -0.68 1.37 3.57 -0.64 0.13 116.94 121.98 3m1i h PHE 194 Ca 0.02 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.57 3m1i h PHE 194 Cb 0.86 -0.37 -0.04 0.00 2.79 0.00 0.00 35.95 39.19 3m1i h PHE 194 CO 0.09 0.69 0.43 -0.22 -2.23 0.00 0.00 178.31 177.07 3m1i h LYS 195 N 1.18 0.83 0.30 1.11 3.64 -1.00 0.41 116.57 123.04 3m1i h LYS 195 Ca 0.32 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 3m1i h LYS 195 Cb -0.13 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.50 3m1i h LYS 195 CO -0.07 0.55 -0.15 1.25 -2.27 0.00 0.00 179.45 178.76 3m1i h LEU 196 N 0.85 -0.35 -0.45 5.20 5.85 -1.06 0.68 115.31 126.03 3m1i h LEU 196 Ca 0.27 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.97 3m1i h LEU 196 Cb -0.02 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3m1i h LEU 196 CO -0.09 -0.18 0.25 0.00 -0.34 0.00 0.00 178.44 178.08 3m1i h PHE 198 N 0.49 0.78 -0.63 0.00 3.57 -0.16 -1.56 116.94 119.43 3m1i h PHE 198 Ca 0.19 -0.07 0.06 0.00 3.53 0.00 0.00 57.97 61.68 3m1i h PHE 198 Cb 0.06 -0.23 -0.06 0.00 2.79 0.00 0.00 35.95 38.51 3m1i h PHE 198 CO -0.08 0.66 0.33 1.96 -2.23 0.00 0.00 178.31 178.94 3m1i h GLN 199 N 0.67 0.59 -0.68 1.11 4.20 -0.28 0.28 115.11 121.00 3m1i h GLN 199 Ca 0.16 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.78 3m1i h GLN 199 Cb 0.22 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 3m1i h GLN 199 CO -0.01 0.39 0.19 0.28 -0.67 0.00 0.00 178.83 179.01 3m1i h VAL 200 N 0.60 1.25 -0.24 -0.54 2.07 -1.06 0.63 116.25 118.97 3m1i h VAL 200 Ca 0.29 -0.90 -0.16 0.00 0.82 0.00 0.00 66.70 66.75 3m1i h VAL 200 Cb 0.22 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3m1i h VAL 200 CO -0.20 0.35 -0.50 -0.07 0.02 0.00 0.00 177.57 177.17 3m1i h LEU 201 N 1.01 0.74 -0.25 2.57 3.38 -0.32 1.14 115.31 123.57 3m1i h LEU 201 Ca 0.22 -0.37 -0.20 0.00 0.09 0.00 0.00 57.88 57.61 3m1i h LEU 201 Cb 0.32 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3m1i h LEU 201 CO -0.00 1.11 -0.90 1.05 0.09 0.00 0.00 178.44 179.79 3m1i h GLU 202 N 0.53 0.21 0.00 1.13 4.11 -0.66 -3.40 114.58 116.50 3m1i h GLU 202 Ca 0.02 -0.23 -0.18 0.00 0.07 0.00 0.00 59.36 59.04 3m1i h GLU 202 Cb 1.05 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 3m1i h GLU 202 CO 0.10 0.97 -1.68 1.04 0.07 0.00 0.00 179.01 179.52 3m1i n GLN 203 N -3.65 1.83 -0.58 1.06 6.02 0.19 -5.05 117.38 117.20 3m1i n GLN 203 Ca -0.04 0.02 -0.28 0.00 -0.01 0.00 0.00 57.00 56.69 3m1i n GLN 203 Cb 0.82 -1.25 0.18 0.00 1.02 0.00 0.00 30.24 31.01 3m1i n GLN 203 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3m1i n GLY 204 N 2.54 -2.62 2.00 1.08 0.00 0.39 -5.00 105.19 103.59 3m1i n GLY 204 Ca -0.18 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 44.95 3m1i n GLY 204 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3m1i n SER 205 N -2.06 -0.09 -4.68 1.61 3.41 -1.26 -4.95 113.62 105.60 3m1i n SER 205 Ca 0.03 0.03 -0.53 0.00 -0.26 0.00 0.00 58.87 58.14 3m1i n SER 205 Cb 0.54 0.28 -0.06 0.00 -0.26 0.00 0.00 64.21 64.71 3m1i n SER 205 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3m1i n SER 206 N -2.55 2.64 -0.16 4.04 2.88 -1.26 -4.88 113.62 114.33 3m1i n SER 206 Ca 0.00 1.05 -0.04 0.00 -1.33 0.00 0.00 58.87 58.56 3m1i n SER 206 Cb 0.00 -1.24 0.06 0.00 -0.75 0.00 0.00 64.21 62.28 3m1i n SER 206 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 3m1i h SER 207 N 7.30 0.27 -0.03 -3.46 0.87 -1.99 -0.87 113.55 115.65 3m1i h SER 207 Ca -0.47 0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.05 3m1i h SER 207 Cb 1.30 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.25 3m1i h SER 207 CO 0.93 0.19 -0.23 0.77 -0.53 0.00 0.00 176.83 177.96 3m1i h SER 208 N 0.42 0.42 -0.52 6.23 4.64 -1.99 0.16 113.55 122.91 3m1i h SER 208 Ca 0.23 -0.13 -0.09 0.00 -0.47 0.00 0.00 61.79 61.33 3m1i h SER 208 Cb 0.20 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 3m1i h SER 208 CO -0.20 0.65 -0.02 0.25 -0.87 0.00 0.00 176.83 176.64 3m1i h LEU 209 N 0.38 0.91 -0.39 5.97 5.85 -1.84 -1.34 115.31 124.86 3m1i h LEU 209 Ca 0.06 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 3m1i h LEU 209 Cb 0.61 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 3m1i h LEU 209 CO 0.04 1.01 0.18 0.40 -0.34 0.00 0.00 178.44 179.73 3m1i h ILE 210 N 0.79 1.18 -0.10 4.05 2.04 -0.62 -0.75 117.51 124.10 3m1i h ILE 210 Ca 0.14 -0.52 0.01 0.00 1.00 0.00 0.00 64.86 65.49 3m1i h ILE 210 Cb 0.55 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 3m1i h ILE 210 CO 0.03 0.19 0.03 0.58 0.00 0.00 0.00 178.15 178.98 3m1i h VAL 211 N 0.49 0.97 -0.88 1.67 2.07 -0.93 -0.89 116.25 118.75 3m1i h VAL 211 Ca 0.13 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.63 3m1i h VAL 211 Cb 0.14 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 3m1i h VAL 211 CO -0.01 0.01 0.57 0.00 0.02 0.00 0.00 177.57 178.16 3m1i h ALA 212 N 1.06 1.12 -0.31 1.67 0.00 -0.96 -1.32 119.26 120.53 3m1i h ALA 212 Ca 0.04 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3m1i h ALA 212 Cb 0.03 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3m1i h ALA 212 CO -0.05 0.53 0.18 1.15 0.00 0.00 0.00 179.25 181.06 3m1i h THR 213 N 1.20 1.03 -0.58 0.00 2.02 -0.86 -2.24 112.91 113.48 3m1i h THR 213 Ca 0.32 -0.13 -0.05 0.00 0.77 0.00 0.00 66.41 67.32 3m1i h THR 213 Cb -0.12 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 66.90 3m1i h THR 213 CO -0.07 0.07 0.15 -0.07 0.37 0.00 0.00 175.52 175.96 3m1i h LEU 214 N 0.37 0.84 -1.02 2.58 3.38 -0.86 -0.37 115.31 120.22 3m1i h LEU 214 Ca 0.12 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3m1i h LEU 214 Cb -0.00 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3m1i h LEU 214 CO -0.06 0.81 0.34 -0.33 0.09 0.00 0.00 178.44 179.30 3m1i h GLU 215 N 0.86 1.04 -0.33 1.13 4.39 -1.04 -0.48 114.58 120.14 3m1i h GLU 215 Ca 0.19 -0.15 -0.16 0.00 0.34 0.00 0.00 59.36 59.58 3m1i h GLU 215 Cb 0.30 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 3m1i h GLU 215 CO -0.00 0.80 -0.42 0.66 -1.16 0.00 0.00 179.01 178.89 3m1i h SER 216 N 1.03 0.95 -1.00 1.42 4.64 -1.07 -3.03 113.55 116.48 3m1i h SER 216 Ca 0.25 -0.49 0.11 0.00 -0.47 0.00 0.00 61.79 61.18 3m1i h SER 216 Cb 0.11 -0.27 -0.08 0.00 -0.31 0.00 0.00 62.40 61.86 3m1i h SER 216 CO -0.03 1.25 0.63 0.25 -0.87 0.00 0.00 176.83 178.06 3m1i h LEU 217 N 0.67 0.95 -0.65 5.97 5.85 -0.61 -1.57 115.31 125.92 3m1i h LEU 217 Ca 0.04 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.85 3m1i h LEU 217 Cb 1.02 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.84 3m1i h LEU 217 CO 0.10 0.53 0.37 0.25 -0.34 0.00 0.00 178.44 179.35 3m1i h LEU 218 N 1.04 0.57 -0.43 2.25 5.85 -0.98 -1.05 115.31 122.57 3m1i h LEU 218 Ca 0.48 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 59.13 3m1i h LEU 218 Cb 0.41 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3m1i h LEU 218 CO -0.24 0.38 -0.09 0.03 -0.34 0.00 0.00 178.44 178.18 3m1i h ARG 219 N 0.71 0.81 -0.22 1.25 2.47 -1.26 -2.98 114.38 115.16 3m1i h ARG 219 Ca 0.28 -0.30 -0.01 0.00 -1.26 0.00 0.00 59.98 58.69 3m1i h ARG 219 Cb 0.13 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.38 3m1i h ARG 219 CO -0.15 0.92 0.11 1.88 0.56 0.00 0.00 179.97 183.29 3m1i h TYR 220 N 0.64 0.29 0.00 3.04 0.05 -0.71 -1.24 116.97 119.04 3m1i h TYR 220 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.89 3m1i h TYR 220 Cb 0.61 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.26 3m1i h TYR 220 CO 0.05 0.22 0.00 -0.07 -1.05 0.00 0.00 178.16 177.31 3m1i h LEU 221 N 0.31 0.00 -1.70 3.88 3.38 -1.05 -0.19 115.31 119.95 3m1i h LEU 221 Ca 0.08 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3m1i h LEU 221 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3m1i h LEU 221 CO -0.01 0.00 -0.18 0.45 0.09 0.00 0.00 178.44 178.79 3m1i h HIS 222 N 0.00 0.00 0.00 1.13 3.86 -1.29 -3.40 115.15 115.46 3m1i h HIS 222 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3m1i h HIS 222 Cb 0.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.70 3m1i h HIS 222 CO 0.00 0.18 -0.29 -2.67 0.86 0.00 0.00 177.93 176.02 3m1i n TRP 223 N -4.04 0.00 -2.11 2.45 4.27 -0.50 -5.11 117.44 112.40 3m1i n TRP 223 Ca -0.02 0.00 -0.33 0.00 -3.89 0.00 0.00 57.50 53.26 3m1i n TRP 223 Cb 0.26 0.00 0.01 0.00 -1.36 0.00 0.00 31.31 30.22 3m1i n TRP 223 CO 0.00 0.00 0.00 0.96 -2.29 0.00 0.00 177.69 176.36 3m1i s ILE 224 N -0.59 3.73 0.36 -1.67 -4.36 -0.20 -4.96 121.20 113.51 3m1i s ILE 224 Ca 0.00 0.87 -0.26 0.00 -0.26 0.00 0.00 60.65 60.99 3m1i s ILE 224 Cb 0.00 -3.37 -0.12 0.00 1.25 0.00 0.00 42.46 40.23 3m1i s ILE 224 CO 0.00 -0.44 1.12 -2.65 0.24 0.00 0.00 174.94 173.21 3m1i n PRO 225 N -1.86 1.64 0.29 0.37 -0.02 -1.26 -4.89 135.00 129.27 3m1i n PRO 225 Ca 0.09 0.58 0.14 0.00 -2.02 0.00 0.00 63.50 62.29 3m1i n PRO 225 Cb 0.53 -2.11 0.89 0.00 -0.02 0.00 0.00 33.50 32.79 3m1i n PRO 225 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 3m1i h TYR 226 N 2.01 0.00 -0.12 6.00 0.99 -2.01 -2.75 116.97 121.09 3m1i h TYR 226 Ca -0.44 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.24 3m1i h TYR 226 Cb 1.32 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 39.04 3m1i h TYR 226 CO 0.47 0.00 -0.15 0.07 -0.00 0.00 0.00 178.16 178.56 3m1i h ARG 227 N 0.00 0.18 0.00 4.88 0.11 -1.97 -1.40 114.38 116.18 3m1i h ARG 227 Ca -0.00 -0.04 -0.01 0.00 0.10 0.00 0.00 59.98 60.03 3m1i h ARG 227 Cb 0.01 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 31.06 3m1i h ARG 227 CO 0.00 0.34 -0.06 1.88 0.10 0.00 0.00 179.97 182.22 3m1i h TYR 228 N 0.17 0.00 0.12 4.08 -1.99 -1.86 -0.24 116.97 117.26 3m1i h TYR 228 Ca 0.04 0.00 -0.35 0.00 2.00 0.00 0.00 58.73 60.42 3m1i h TYR 228 Cb 0.37 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.08 3m1i h TYR 228 CO 0.00 0.06 -1.87 0.82 -0.00 0.00 0.00 178.16 177.18 3m1i h ILE 229 N 0.00 0.71 0.00 -2.88 2.04 -1.48 -3.39 117.51 112.51 3m1i h ILE 229 Ca -0.00 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 63.51 3m1i h ILE 229 Cb 0.14 2.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.74 3m1i h ILE 229 CO 0.01 0.83 -1.11 -1.22 0.00 0.00 0.00 178.15 176.66 3m1i n TYR 230 N -3.61 0.00 0.37 1.37 4.01 -0.62 -4.33 117.16 114.36 3m1i n TYR 230 Ca -0.31 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.47 3m1i n TYR 230 Cb 1.01 -0.09 0.00 0.00 -0.31 0.00 0.00 39.34 39.96 3m1i n TYR 230 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 3m1i n GLU 231 N -1.60 1.96 -3.53 -0.72 2.13 -0.11 -4.96 120.64 113.82 3m1i n GLU 231 Ca 0.02 -0.61 -0.23 0.00 0.66 0.00 0.00 57.16 57.01 3m1i n GLU 231 Cb 0.35 -1.05 0.02 0.00 0.27 0.00 0.00 31.44 31.02 3m1i n GLU 231 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3m1i s THR 232 N -1.16 1.95 -1.16 6.31 -4.23 -1.25 -5.01 115.64 111.09 3m1i s THR 232 Ca 0.07 -1.29 0.09 0.00 -1.18 0.00 0.00 61.69 59.38 3m1i s THR 232 Cb 0.07 -2.24 0.38 0.00 1.34 0.00 0.00 72.50 72.05 3m1i s THR 232 CO 0.20 0.00 1.18 -3.20 -0.54 0.00 0.00 174.62 172.26 3m1i n ASN 233 N -1.92 2.83 0.04 3.99 5.15 -1.26 -4.58 115.26 119.50 3m1i n ASN 233 Ca 0.05 -2.28 0.01 0.00 -0.60 0.00 0.00 54.58 51.76 3m1i n ASN 233 Cb 0.63 -0.46 0.35 0.00 -0.53 0.00 0.00 39.78 39.77 3m1i n ASN 233 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 3m1i h ILE 234 N 2.05 1.17 -0.26 -1.44 2.10 -1.87 -2.10 117.51 117.17 3m1i h ILE 234 Ca 0.00 -0.68 -0.06 0.00 1.08 0.00 0.00 64.86 65.20 3m1i h ILE 234 Cb 0.95 0.96 -0.02 0.00 -1.09 0.00 0.00 36.82 37.63 3m1i h ILE 234 CO 0.15 0.23 -0.11 -0.07 -1.08 0.00 0.00 178.15 177.27 3m1i h LEU 235 N 0.42 0.42 -0.42 2.19 3.38 -1.81 -0.49 115.31 118.99 3m1i h LEU 235 Ca 0.09 -0.10 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 3m1i h LEU 235 Cb 0.28 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3m1i h LEU 235 CO 0.01 0.57 -0.47 -0.08 0.09 0.00 0.00 178.44 178.55 3m1i h GLU 236 N 0.41 0.81 0.10 1.13 4.57 -1.73 -1.59 114.58 118.28 3m1i h GLU 236 Ca 0.08 -0.47 -0.00 0.00 -1.18 0.00 0.00 59.36 57.79 3m1i h GLU 236 Cb 0.45 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 3m1i h GLU 236 CO 0.03 1.10 -0.05 -0.07 -1.18 0.00 0.00 179.01 178.84 3m1i h LEU 237 N 0.64 -0.11 -1.24 1.64 3.38 -1.26 -1.09 115.31 117.28 3m1i h LEU 237 Ca 0.03 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3m1i h LEU 237 Cb 1.05 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 3m1i h LEU 237 CO 0.10 0.06 0.48 -0.07 0.09 0.00 0.00 178.44 179.10 3m1i h LEU 238 N -0.28 0.87 -0.04 1.67 3.38 -1.06 -2.09 115.31 117.76 3m1i h LEU 238 Ca -0.01 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3m1i h LEU 238 Cb 0.23 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3m1i h LEU 238 CO 0.02 0.64 -0.65 -1.54 0.09 0.00 0.00 178.44 177.01 3m1i n SER 239 N -4.41 0.71 0.00 -0.43 3.41 -0.60 -3.44 113.62 108.86 3m1i n SER 239 Ca 0.08 -0.54 0.00 0.00 -0.26 0.00 0.00 58.87 58.15 3m1i n SER 239 Cb 0.04 0.49 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 3m1i n SER 239 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3m1i n THR 240 N -1.44 0.00 -0.22 6.66 -1.04 -0.42 -3.54 114.28 114.28 3m1i n THR 240 Ca 0.05 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.11 3m1i n THR 240 Cb 0.34 -0.66 0.29 0.00 -1.82 0.00 0.00 70.33 68.48 3m1i n THR 240 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 3m1i h LYS 241 N 0.00 0.87 0.00 -2.82 2.10 -1.57 -2.08 116.57 113.07 3m1i h LYS 241 Ca 0.00 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 3m1i h LYS 241 Cb 0.00 -0.20 0.00 0.00 -0.90 0.00 0.00 32.23 31.13 3m1i h LYS 241 CO 0.00 0.58 -0.44 1.19 -2.00 0.00 0.00 179.45 178.78 3m1i n PHE 242 N -4.47 0.44 0.06 0.07 3.72 -1.03 -2.70 117.46 113.54 3m1i n PHE 242 Ca 0.11 0.13 -0.11 0.00 -0.05 0.00 0.00 57.45 57.53 3m1i n PHE 242 Cb 0.17 -0.60 -0.13 0.00 -0.94 0.00 0.00 39.48 37.98 3m1i n PHE 242 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 3m1i h MET 243 N 0.00 0.10 -0.20 -1.08 2.86 -1.42 -3.17 114.93 112.02 3m1i h MET 243 Ca 0.00 -0.17 -0.00 0.00 -2.06 0.00 0.00 59.70 57.47 3m1i h MET 243 Cb 0.67 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 3m1i h MET 243 CO 0.00 0.99 0.11 1.79 1.06 0.00 0.00 176.91 180.86 3m1i h THR 244 N 0.03 1.10 -3.24 2.22 1.35 -1.20 -3.43 112.91 109.74 3m1i h THR 244 Ca -0.12 -0.26 -0.57 0.00 -0.55 0.00 0.00 66.41 64.91 3m1i h THR 244 Cb 1.89 0.91 -0.06 0.00 -1.73 0.00 0.00 68.15 69.17 3m1i h THR 244 CO 0.14 0.10 0.54 -0.94 -0.25 0.00 0.00 175.52 175.11 3m1i s SER 245 N -5.47 7.08 0.54 5.36 1.04 -1.21 -4.96 113.70 116.08 3m1i s SER 245 Ca -0.13 1.34 0.20 0.00 0.48 0.00 0.00 55.95 57.83 3m1i s SER 245 Cb 0.08 -2.51 1.41 0.00 0.10 0.00 0.00 66.02 65.10 3m1i s SER 245 CO 0.70 -0.48 2.16 -0.65 0.98 0.00 0.00 173.24 175.96 3m1i h PRO 246 N 7.29 0.00 0.00 4.02 0.11 -1.88 -1.61 132.00 139.93 3m1i h PRO 246 Ca -0.27 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.77 3m1i h PRO 246 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3m1i h PRO 246 CO 0.88 0.00 -0.33 0.38 -0.21 0.00 0.00 178.00 178.72 3m1i h ASP 247 N 0.00 0.00 -0.01 -2.05 -0.00 -1.92 -3.04 116.42 109.40 3m1i h ASP 247 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.05 3m1i h ASP 247 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.40 3m1i h ASP 247 CO -0.00 0.33 -0.46 0.35 -0.00 0.00 0.00 179.24 179.46 3m1i n THR 248 N -3.73 0.00 -0.07 1.15 -2.24 -0.66 -4.65 114.28 104.08 3m1i n THR 248 Ca -0.01 -0.27 -0.12 0.00 -2.27 0.00 0.00 64.05 61.37 3m1i n THR 248 Cb 0.42 1.22 -0.05 0.00 -2.10 0.00 0.00 70.33 69.82 3m1i n THR 248 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3m1i h ARG 249 N 2.11 0.45 -0.35 -0.78 2.43 -1.29 -0.25 114.38 116.70 3m1i h ARG 249 Ca 0.00 -0.20 -0.06 0.00 -0.81 0.00 0.00 59.98 58.91 3m1i h ARG 249 Cb 0.68 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 3m1i h ARG 249 CO 0.00 0.74 -0.00 0.00 -1.51 0.00 0.00 179.97 179.20 3m1i h ALA 250 N 0.70 0.48 -0.38 2.80 0.00 -1.83 -1.03 119.26 120.00 3m1i h ALA 250 Ca 0.05 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 3m1i h ALA 250 Cb 0.61 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3m1i h ALA 250 CO 0.03 0.24 -0.39 0.97 0.00 0.00 0.00 179.25 180.10 3m1i h ILE 251 N 0.44 1.27 -0.60 0.00 6.09 -1.84 -2.44 117.51 120.43 3m1i h ILE 251 Ca 0.10 -1.57 0.07 0.00 -1.37 0.00 0.00 64.86 62.09 3m1i h ILE 251 Cb 0.46 1.40 -0.06 0.00 0.47 0.00 0.00 36.82 39.09 3m1i h ILE 251 CO 0.02 0.52 0.29 0.74 -3.07 0.00 0.00 178.15 176.65 3m1i h THR 252 N 0.76 0.89 -0.57 2.19 2.02 -0.90 -0.42 112.91 116.87 3m1i h THR 252 Ca 0.06 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 67.02 3m1i h THR 252 Cb 0.99 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 3m1i h THR 252 CO 0.10 0.10 0.21 -0.07 0.37 0.00 0.00 175.52 176.22 3m1i h LEU 253 N 0.53 0.76 -0.72 2.58 3.38 -1.07 -0.17 115.31 120.60 3m1i h LEU 253 Ca 0.28 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 58.03 3m1i h LEU 253 Cb 0.25 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3m1i h LEU 253 CO -0.22 0.69 -0.30 0.11 0.09 0.00 0.00 178.44 178.81 3m1i h LYS 254 N 0.81 0.64 -0.31 1.13 1.57 -0.90 0.07 116.57 119.58 3m1i h LYS 254 Ca 0.19 -0.28 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 3m1i h LYS 254 Cb 0.19 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3m1i h LYS 254 CO -0.02 0.87 0.06 0.00 -0.57 0.00 0.00 179.45 179.79 3m1i h LEU 256 N 0.35 0.00 -0.29 0.00 3.38 -0.79 -2.25 115.31 115.72 3m1i h LEU 256 Ca 0.10 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.87 3m1i h LEU 256 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3m1i h LEU 256 CO 0.00 0.23 -0.60 0.74 0.09 0.00 0.00 178.44 178.90 3m1i h THR 257 N 0.00 1.28 -0.13 0.22 2.02 -0.60 0.17 112.91 115.87 3m1i h THR 257 Ca -0.00 -1.80 0.00 0.00 0.77 0.00 0.00 66.41 65.38 3m1i h THR 257 Cb 0.55 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 3m1i h THR 257 CO 0.03 0.58 0.08 -0.33 0.37 0.00 0.00 175.52 176.25 3m1i h GLU 258 N 0.62 0.17 -0.78 6.66 4.39 -0.87 -2.22 114.58 122.55 3m1i h GLU 258 Ca -0.00 -0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.78 3m1i h GLU 258 Cb 1.21 -0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.75 3m1i h GLU 258 CO 0.13 0.11 0.44 0.28 -1.16 0.00 0.00 179.01 178.81 3m1i h VAL 259 N 0.17 0.90 0.00 3.13 2.07 -1.37 -2.83 116.25 118.33 3m1i h VAL 259 Ca 0.05 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3m1i h VAL 259 Cb -0.01 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 3m1i h VAL 259 CO -0.02 0.13 0.00 0.28 0.02 0.00 0.00 177.57 177.99 3m1i h SER 260 N 0.74 0.00 0.60 0.57 0.02 -0.06 -1.78 113.55 113.65 3m1i h SER 260 Ca 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 3m1i h SER 260 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 3m1i h SER 260 CO -0.24 0.00 -0.63 -3.20 -1.14 0.00 0.00 176.83 171.62 3m1i n ASN 261 N -2.80 0.58 -4.73 3.07 5.15 -1.01 -4.29 115.26 111.23 3m1i n ASN 261 Ca 0.00 -0.13 -0.42 0.00 -0.60 0.00 0.00 54.58 53.43 3m1i n ASN 261 Cb 0.23 0.31 -0.02 0.00 -0.53 0.00 0.00 39.78 39.76 3m1i n ASN 261 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3m1i n LEU 262 N -1.77 4.18 -4.67 1.20 4.32 -0.67 -4.95 117.00 114.64 3m1i n LEU 262 Ca 0.04 1.09 -0.43 0.00 -0.02 0.00 0.00 56.01 56.70 3m1i n LEU 262 Cb 0.38 -1.59 -0.02 0.00 -1.62 0.00 0.00 43.42 40.57 3m1i n LEU 262 CO 0.36 0.19 0.95 -1.59 -1.22 0.00 0.00 177.39 176.08 3m1i s LYS 263 N 0.52 4.29 -0.04 3.23 -2.85 -1.26 -5.02 119.74 118.61 3m1i s LYS 263 Ca 0.71 1.48 -0.10 0.00 -1.00 0.00 0.00 55.97 57.06 3m1i s LYS 263 Cb -0.50 -3.65 -0.05 0.00 -2.06 0.00 0.00 37.83 31.57 3m1i s LYS 263 CO 0.38 -0.58 0.28 0.96 0.10 0.00 0.00 175.35 176.49 3m1i s ILE 264 N 3.00 5.26 -0.41 3.79 -5.25 -1.26 -5.03 121.20 121.30 3m1i s ILE 264 Ca 0.49 0.45 -0.41 0.00 -0.99 0.00 0.00 60.65 60.19 3m1i s ILE 264 Cb -0.18 -3.57 -0.16 0.00 2.95 0.00 0.00 42.46 41.50 3m1i s ILE 264 CO 0.12 0.53 1.96 -2.65 -1.79 0.00 0.00 174.94 173.12 3m1i n PRO 265 N 1.68 0.57 0.24 0.37 -0.01 -1.26 -4.87 135.00 131.72 3m1i n PRO 265 Ca -0.15 0.18 0.13 0.00 -0.01 0.00 0.00 63.50 63.65 3m1i n PRO 265 Cb 0.53 -1.90 0.53 0.00 -0.01 0.00 0.00 33.50 32.65 3m1i n PRO 265 CO 0.00 0.00 0.00 0.37 -0.01 0.00 0.00 175.50 175.86 3m1i h GLN 266 N 8.77 0.00 -0.40 -0.52 5.75 -2.04 -3.22 115.11 123.46 3m1i h GLN 266 Ca -0.29 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.21 3m1i h GLN 266 Cb 1.36 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.91 3m1i h GLN 266 CO 1.02 0.14 0.00 -0.25 -2.65 0.00 0.00 178.83 177.09 3m1i n ASP 267 N -3.29 2.45 -4.25 -0.69 9.92 -1.26 -4.77 116.55 114.67 3m1i n ASP 267 Ca 0.00 -1.93 -0.43 0.00 -0.53 0.00 0.00 54.79 51.90 3m1i n ASP 267 Cb 0.39 -0.26 -0.05 0.00 -0.64 0.00 0.00 41.12 40.55 3m1i n ASP 267 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 3m1i s ASN 268 N -1.19 6.12 0.63 -2.24 3.84 -1.22 -4.94 114.94 115.95 3m1i s ASN 268 Ca 0.33 -2.52 0.41 0.00 0.21 0.00 0.00 52.86 51.29 3m1i s ASN 268 Cb 0.17 -2.08 2.06 0.00 -0.55 0.00 0.00 41.25 40.85 3m1i s ASN 268 CO 0.24 -0.57 2.24 0.44 -2.79 0.00 0.00 177.10 176.66 3m1i h ASP 269 N 7.80 0.00 0.24 -4.21 3.32 -1.90 -2.28 116.42 119.39 3m1i h ASP 269 Ca -0.02 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.69 3m1i h ASP 269 Cb 1.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.58 3m1i h ASP 269 CO 0.79 0.00 -1.73 0.25 -1.72 0.00 0.00 179.24 176.84 3m1i h LEU 270 N 0.00 0.56 -0.66 1.55 6.46 -1.99 -2.51 115.31 118.72 3m1i h LEU 270 Ca -0.00 -0.85 -0.11 0.00 -0.12 0.00 0.00 57.88 56.80 3m1i h LEU 270 Cb 0.18 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 39.91 3m1i h LEU 270 CO 0.00 1.72 -0.15 0.40 -0.62 0.00 0.00 178.44 179.79 3m1i h ILE 271 N 0.10 1.27 -0.13 4.05 2.04 -1.89 -1.28 117.51 121.67 3m1i h ILE 271 Ca -0.33 -1.27 0.05 0.00 1.00 0.00 0.00 64.86 64.31 3m1i h ILE 271 Cb 2.08 1.07 -0.06 0.00 -0.74 0.00 0.00 36.82 39.17 3m1i h ILE 271 CO 0.17 0.44 -0.35 0.11 0.00 0.00 0.00 178.15 178.52 3m1i h LYS 272 N 0.78 -0.41 -0.68 2.37 1.57 -1.51 -0.97 116.57 117.72 3m1i h LYS 272 Ca 0.12 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.98 3m1i h LYS 272 Cb 0.68 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.04 3m1i h LYS 272 CO 0.05 -0.27 0.45 -0.09 -0.57 0.00 0.00 179.45 179.01 3m1i h ARG 273 N -0.43 0.71 -0.36 3.15 9.65 -1.28 -0.51 114.38 125.31 3m1i h ARG 273 Ca 0.09 -0.04 -0.10 0.00 -1.10 0.00 0.00 59.98 58.83 3m1i h ARG 273 Cb 0.57 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.98 3m1i h ARG 273 CO -0.37 0.47 -0.19 0.37 2.80 0.00 0.00 179.97 183.04 3m1i h GLN 274 N 0.73 0.69 -0.09 0.20 5.75 -0.78 -0.44 115.11 121.17 3m1i h GLN 274 Ca 0.29 -0.26 -0.14 0.00 -0.15 0.00 0.00 58.65 58.39 3m1i h GLN 274 Cb 0.21 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.70 3m1i h GLN 274 CO -0.09 0.84 -0.57 0.00 -2.65 0.00 0.00 178.83 176.36 3m1i h THR 275 N 0.61 1.37 -0.24 2.39 1.03 -0.08 -1.95 112.91 116.04 3m1i h THR 275 Ca 0.09 -1.89 -0.03 0.00 -0.01 0.00 0.00 66.41 64.57 3m1i h THR 275 Cb 0.67 1.93 -0.01 0.00 -1.07 0.00 0.00 68.15 69.67 3m1i h THR 275 CO 0.05 0.56 0.05 0.58 -0.01 0.00 0.00 175.52 176.75 3m1i h VAL 276 N 0.21 1.22 -0.56 0.00 2.07 -0.91 -3.22 116.25 115.06 3m1i h VAL 276 Ca -0.00 -0.73 -0.08 0.00 0.82 0.00 0.00 66.70 66.71 3m1i h VAL 276 Cb 1.06 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 3m1i h VAL 276 CO 0.09 0.23 0.01 0.25 0.02 0.00 0.00 177.57 178.18 3m1i h LEU 277 N 0.21 0.92 -0.67 2.57 5.85 -0.85 0.34 115.31 123.67 3m1i h LEU 277 Ca 0.07 -0.24 -0.09 0.00 0.84 0.00 0.00 57.88 58.46 3m1i h LEU 277 Cb 0.30 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3m1i h LEU 277 CO 0.00 0.97 -0.44 2.19 -0.34 0.00 0.00 178.44 180.82 3m1i h PHE 278 N 0.88 0.00 -0.01 1.25 -5.15 -1.42 -0.98 116.94 111.51 3m1i h PHE 278 Ca 0.16 0.00 -0.10 0.00 -0.20 0.00 0.00 57.97 57.83 3m1i h PHE 278 Cb 0.49 0.00 0.01 0.00 0.22 0.00 0.00 35.95 36.67 3m1i h PHE 278 CO 0.03 0.44 -0.40 0.35 -2.00 0.00 0.00 178.31 176.74 3m1i h PHE 279 N 0.00 0.42 -0.39 6.09 3.57 -1.46 -0.46 116.94 124.71 3m1i h PHE 279 Ca -0.00 -0.22 0.08 0.00 3.53 0.00 0.00 57.97 61.36 3m1i h PHE 279 Cb 1.06 -0.05 -0.08 0.00 2.79 0.00 0.00 35.95 39.67 3m1i h PHE 279 CO 0.00 1.02 -0.19 0.37 -2.23 0.00 0.00 178.31 177.28 3m1i h GLN 280 N -0.29 -0.11 -0.36 1.11 4.15 -0.72 -0.70 115.11 118.17 3m1i h GLN 280 Ca -0.05 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 3m1i h GLN 280 Cb 1.12 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.82 3m1i h GLN 280 CO 0.08 -0.08 0.16 -0.91 -1.93 0.00 0.00 178.83 176.15 3m1i h ASN 281 N -0.12 0.49 -0.04 -0.69 2.35 -1.14 -0.69 115.58 115.74 3m1i h ASN 281 Ca 0.19 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3m1i h ASN 281 Cb 0.41 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 3m1i h ASN 281 CO -0.46 0.51 0.02 0.74 -1.65 0.00 0.00 177.43 176.58 3m1i h THR 282 N 0.44 1.06 -0.68 2.81 2.02 -0.83 -1.25 112.91 116.47 3m1i h THR 282 Ca 0.12 -0.16 -0.05 0.00 0.77 0.00 0.00 66.41 67.10 3m1i h THR 282 Cb 0.16 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 3m1i h THR 282 CO -0.01 0.05 0.24 -0.07 0.37 0.00 0.00 175.52 176.09 3m1i h LEU 283 N -0.00 0.95 -0.75 2.58 -0.00 -1.02 -1.84 115.31 115.24 3m1i h LEU 283 Ca 0.01 -0.16 0.04 0.00 -0.00 0.00 0.00 57.88 57.78 3m1i h LEU 283 Cb 0.06 -0.25 -0.05 0.00 -0.00 0.00 0.00 40.66 40.42 3m1i h LEU 283 CO -0.00 0.87 0.46 -0.61 -0.00 0.00 0.00 178.44 179.16 3m1i h GLN 284 N 1.00 0.84 -0.58 1.13 5.75 -0.98 -0.91 115.11 121.36 3m1i h GLN 284 Ca 0.23 -0.05 -0.11 0.00 -0.15 0.00 0.00 58.65 58.57 3m1i h GLN 284 Cb 0.25 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 3m1i h GLN 284 CO -0.01 0.56 -0.05 1.96 -2.65 0.00 0.00 178.83 178.63 3m1i h GLN 285 N 0.87 1.06 -0.10 1.69 1.08 -0.84 -1.35 115.11 117.52 3m1i h GLN 285 Ca 0.31 -0.36 0.01 0.00 -1.45 0.00 0.00 58.65 57.16 3m1i h GLN 285 Cb 0.10 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 3m1i h GLN 285 CO -0.14 1.06 0.05 0.82 -0.95 0.00 0.00 178.83 179.67 3m1i h ILE 286 N 0.96 1.00 0.00 2.54 1.08 -1.15 0.11 117.51 122.05 3m1i h ILE 286 Ca 0.16 -0.04 -0.03 0.00 -0.39 0.00 0.00 64.86 64.56 3m1i h ILE 286 Cb 0.62 0.88 -0.00 0.00 -3.07 0.00 0.00 36.82 35.25 3m1i h ILE 286 CO 0.04 0.02 -0.13 0.00 -0.69 0.00 0.00 178.15 177.39 3m1i h ALA 287 N 1.05 1.31 0.09 1.87 0.00 -0.92 -0.55 119.26 122.12 3m1i h ALA 287 Ca 0.04 -0.12 -0.34 0.00 0.00 0.00 0.00 54.91 54.49 3m1i h ALA 287 Cb 0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3m1i h ALA 287 CO -0.03 0.17 -1.85 2.41 0.00 0.00 0.00 179.25 179.95 3m1i n THR 288 N -3.70 1.71 0.43 0.00 -1.04 -0.53 -3.98 114.28 107.16 3m1i n THR 288 Ca -0.02 -0.50 0.08 0.00 -2.04 0.00 0.00 64.05 61.57 3m1i n THR 288 Cb 0.25 -1.80 -0.11 0.00 -1.82 0.00 0.00 70.33 66.84 3m1i n THR 288 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3m1i n SER 289 N -3.72 0.94 0.04 8.00 7.64 0.37 -4.88 113.62 122.01 3m1i n SER 289 Ca -0.33 -0.49 0.00 0.00 1.01 0.00 0.00 58.87 59.06 3m1i n SER 289 Cb 0.96 1.34 0.00 0.00 -1.01 0.00 0.00 64.21 65.49 3m1i n SER 289 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3m1i n VAL 290 N -1.69 0.67 -3.60 0.44 0.31 -0.36 -5.03 118.33 109.08 3m1i n VAL 290 Ca 0.00 0.22 -0.11 0.00 -0.01 0.00 0.00 64.34 64.45 3m1i n VAL 290 Cb 0.33 -1.22 -0.06 0.00 -0.91 0.00 0.00 33.84 31.98 3m1i n VAL 290 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3m1i s MET 291 N -1.63 0.61 0.79 5.55 0.23 -0.36 -5.03 119.30 119.46 3m1i s MET 291 Ca 0.00 0.37 -0.11 0.00 -1.03 0.00 0.00 55.69 54.92 3m1i s MET 291 Cb 0.00 0.29 0.06 0.00 -1.53 0.00 0.00 34.83 33.66 3m1i s MET 291 CO 0.00 -0.14 1.09 -1.25 -2.03 0.00 0.00 175.02 172.68 3m1i s PRO 292 N -0.52 2.18 0.54 3.16 0.04 -1.26 -3.93 135.00 135.21 3m1i s PRO 292 Ca -0.01 0.79 0.28 0.00 0.04 0.00 0.00 61.00 62.11 3m1i s PRO 292 Cb -0.02 -1.92 1.45 0.00 0.04 0.00 0.00 34.50 34.05 3m1i s PRO 292 CO -0.01 -1.59 1.95 -0.39 0.04 0.00 0.00 177.00 176.99 3m1i h VAL 293 N -1.08 0.60 0.00 -0.36 -1.51 -1.95 -1.91 116.25 110.04 3m1i h VAL 293 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 3m1i h VAL 293 Cb 1.25 0.65 0.00 0.00 -2.13 0.00 0.00 31.29 31.07 3m1i h VAL 293 CO 0.57 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.26 3m1i n THR 294 N -4.21 0.06 -1.67 7.19 -2.24 -1.26 -4.72 114.28 107.42 3m1i n THR 294 Ca 0.12 0.01 -0.33 0.00 -2.27 0.00 0.00 64.05 61.59 3m1i n THR 294 Cb 0.73 -0.53 0.06 0.00 -2.10 0.00 0.00 70.33 68.49 3m1i n THR 294 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3m1i s ALA 295 N -2.77 2.40 -0.97 6.98 0.00 -0.72 -4.90 121.76 121.77 3m1i s ALA 295 Ca 0.21 0.57 -0.19 0.00 0.00 0.00 0.00 51.96 52.55 3m1i s ALA 295 Cb 0.19 -3.33 0.12 0.00 0.00 0.00 0.00 23.12 20.10 3m1i s ALA 295 CO 0.48 -1.40 1.21 0.34 0.00 0.00 0.00 175.76 176.39 3m1i s ASP 296 N -2.56 6.65 0.38 0.00 -1.08 -1.26 -4.85 116.67 113.95 3m1i s ASP 296 Ca 0.67 -2.05 0.19 0.00 -0.52 0.00 0.00 52.55 50.85 3m1i s ASP 296 Cb -0.21 -2.43 0.69 0.00 -1.46 0.00 0.00 42.92 39.51 3m1i s ASP 296 CO 0.43 -1.10 1.73 -0.07 0.52 0.00 0.00 175.17 176.68 3m1i h LEU 297 N 10.74 0.00 -0.41 -1.34 3.38 -1.91 -1.88 115.31 123.89 3m1i h LEU 297 Ca 0.18 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.19 3m1i h LEU 297 Cb 1.01 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 3m1i h LEU 297 CO 1.17 0.35 0.20 0.50 0.09 0.00 0.00 178.44 180.75 3m1i h LYS 298 N 0.00 0.39 -0.18 1.13 3.64 -1.85 0.76 116.57 120.46 3m1i h LYS 298 Ca -0.00 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 3m1i h LYS 298 Cb 0.90 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 3m1i h LYS 298 CO 0.05 0.26 -0.04 0.00 -2.27 0.00 0.00 179.45 177.44 3m1i h ALA 299 N 1.22 0.25 -0.26 5.00 0.00 -1.90 -1.55 119.26 122.02 3m1i h ALA 299 Ca 0.18 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.90 3m1i h ALA 299 Cb 0.09 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3m1i h ALA 299 CO -0.13 0.01 -0.06 1.15 0.00 0.00 0.00 179.25 180.22 3m1i h THR 300 N 0.06 0.75 0.00 0.00 2.02 -1.02 -1.48 112.91 113.24 3m1i h THR 300 Ca 0.05 -0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.22 3m1i h THR 300 Cb 0.47 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 3m1i h THR 300 CO 0.02 0.00 -0.00 0.22 0.37 0.00 0.00 175.52 176.13 3m1i h TYR 301 N 0.01 -0.00 -0.55 3.16 3.20 -0.84 -2.55 116.97 119.40 3m1i h TYR 301 Ca 0.13 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.02 3m1i h TYR 301 Cb 0.19 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 3m1i h TYR 301 CO -0.25 0.00 0.36 0.00 -1.64 0.00 0.00 178.16 176.63 3m1i h ALA 302 N 0.99 1.71 0.00 1.82 0.00 -1.04 -2.11 119.26 120.63 3m1i h ALA 302 Ca -0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3m1i h ALA 302 Cb 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3m1i h ALA 302 CO 0.00 0.24 -0.45 -0.91 0.00 0.00 0.00 179.25 178.12 3m1i h ASN 303 N 0.65 0.00 -5.68 0.00 2.35 -1.10 -3.47 115.58 108.34 3m1i h ASN 303 Ca 0.22 0.00 -0.41 0.00 -0.55 0.00 0.00 56.30 55.56 3m1i h ASN 303 Cb 0.07 0.00 0.11 0.00 0.05 0.00 0.00 38.32 38.55 3m1i h ASN 303 CO -0.06 0.45 -0.67 0.00 -1.65 0.00 0.00 177.43 175.50 3m1i n ALA 304 N -2.41 -1.25 -1.78 -0.83 0.00 -0.79 -4.96 120.51 108.48 3m1i n ALA 304 Ca -0.01 0.37 -0.38 0.00 0.00 0.00 0.00 53.44 53.42 3m1i n ALA 304 Cb 0.49 -5.19 -0.06 0.00 0.00 0.00 0.00 19.45 14.69 3m1i n ALA 304 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3m1i s ASN 305 N -3.22 7.43 0.63 0.00 0.01 -1.26 -4.83 114.94 113.70 3m1i s ASN 305 Ca 0.55 1.86 0.00 0.00 -0.71 0.00 0.00 52.86 54.56 3m1i s ASN 305 Cb -0.25 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 38.83 3m1i s ASN 305 CO 0.68 0.01 0.00 0.61 -1.51 0.00 0.00 177.10 176.89 3m1i n GLY 306 N 0.86 2.89 2.07 0.66 0.00 -1.26 -1.65 105.19 108.76 3m1i n GLY 306 Ca 0.01 -0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 3m1i n GLY 306 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3m1i n ASN 307 N 2.35 4.31 -0.19 1.61 3.02 -1.26 -4.66 115.26 120.44 3m1i n ASN 307 Ca 0.00 -3.41 -0.10 0.00 -0.03 0.00 0.00 54.58 51.04 3m1i n ASN 307 Cb 0.00 -0.78 0.01 0.00 -0.61 0.00 0.00 39.78 38.40 3m1i n ASN 307 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 3m1i h ASP 308 N 1.91 0.98 -0.37 6.41 3.32 -1.64 -1.18 116.42 125.85 3m1i h ASP 308 Ca 0.43 -0.32 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 3m1i h ASP 308 Cb 2.55 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 41.82 3m1i h ASP 308 CO 0.89 1.07 0.12 1.56 -1.72 0.00 0.00 179.24 181.16 3m1i h GLN 309 N 0.87 0.57 -0.70 3.56 4.20 -1.83 -0.48 115.11 121.30 3m1i h GLN 309 Ca 0.15 -0.12 0.03 0.00 0.06 0.00 0.00 58.65 58.77 3m1i h GLN 309 Cb 0.59 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.24 3m1i h GLN 309 CO 0.04 0.58 0.44 0.77 -0.67 0.00 0.00 178.83 179.99 3m1i h SER 310 N 0.44 0.74 -0.42 1.46 0.02 -1.89 -0.70 113.55 113.19 3m1i h SER 310 Ca 0.12 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 3m1i h SER 310 Cb 0.24 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 3m1i h SER 310 CO -0.00 0.52 0.15 0.15 -1.14 0.00 0.00 176.83 176.50 3m1i h PHE 311 N 0.88 0.67 -0.28 3.45 3.57 -1.02 0.15 116.94 124.35 3m1i h PHE 311 Ca 0.28 -0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 3m1i h PHE 311 Cb -0.01 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 3m1i h PHE 311 CO -0.04 0.60 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.47 3m1i h LEU 312 N 0.54 0.44 -0.28 0.59 3.38 -0.73 0.13 115.31 119.38 3m1i h LEU 312 Ca 0.14 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3m1i h LEU 312 Cb 0.23 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3m1i h LEU 312 CO -0.01 0.58 0.06 1.56 0.09 0.00 0.00 178.44 180.72 3m1i h GLN 313 N 0.43 0.45 -0.77 1.13 4.20 -0.93 -1.04 115.11 118.58 3m1i h GLN 313 Ca 0.08 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 3m1i h GLN 313 Cb 0.43 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 3m1i h GLN 313 CO 0.02 0.54 0.29 -0.44 -0.67 0.00 0.00 178.83 178.58 3m1i h ASP 314 N 0.28 1.08 -0.47 1.46 3.32 -0.44 -0.78 116.42 120.87 3m1i h ASP 314 Ca 0.09 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.90 3m1i h ASP 314 Cb 0.29 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3m1i h ASP 314 CO 0.00 0.96 0.06 0.25 -1.72 0.00 0.00 179.24 178.79 3m1i h LEU 315 N 1.13 0.76 -0.66 1.55 5.85 -0.67 0.60 115.31 123.87 3m1i h LEU 315 Ca 0.26 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.71 3m1i h LEU 315 Cb 0.23 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3m1i h LEU 315 CO -0.02 0.84 0.43 0.00 -0.34 0.00 0.00 178.44 179.35 3m1i h ALA 316 N 0.94 0.83 -0.74 1.25 0.00 -0.89 -0.33 119.26 120.32 3m1i h ALA 316 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3m1i h ALA 316 Cb 0.42 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3m1i h ALA 316 CO 0.01 0.27 0.47 1.98 0.00 0.00 0.00 179.25 181.98 3m1i h MET 317 N 0.89 0.99 -0.04 0.00 1.85 -0.91 -0.58 114.93 117.14 3m1i h MET 317 Ca 0.24 -0.07 -0.00 0.00 -0.61 0.00 0.00 59.70 59.25 3m1i h MET 317 Cb -0.10 -0.22 -0.00 0.00 0.43 0.00 0.00 31.60 31.72 3m1i h MET 317 CO -0.05 0.68 0.01 0.35 -0.40 0.00 0.00 176.91 177.50 3m1i h PHE 318 N 1.01 0.06 -0.42 1.39 3.57 -0.48 -1.55 116.94 120.54 3m1i h PHE 318 Ca 0.27 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.65 3m1i h PHE 318 Cb -0.08 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 3m1i h PHE 318 CO -0.02 0.23 -0.20 -0.07 -2.23 0.00 0.00 178.31 176.03 3m1i h LEU 319 N -0.13 0.90 -0.64 0.59 3.38 -0.93 -1.47 115.31 117.02 3m1i h LEU 319 Ca 0.01 -0.40 -0.14 0.00 0.09 0.00 0.00 57.88 57.44 3m1i h LEU 319 Cb 0.20 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3m1i h LEU 319 CO -0.00 1.10 -0.45 0.71 0.09 0.00 0.00 178.44 179.90 3m1i h THR 320 N 0.69 1.31 -0.01 0.22 1.35 -1.13 -0.39 112.91 114.94 3m1i h THR 320 Ca 0.09 -1.64 -0.00 0.00 -0.55 0.00 0.00 66.41 64.31 3m1i h THR 320 Cb 0.76 1.63 -0.00 0.00 -1.73 0.00 0.00 68.15 68.81 3m1i h THR 320 CO 0.06 0.51 0.00 0.74 -0.25 0.00 0.00 175.52 176.59 3m1i h THR 321 N 0.44 1.17 -0.24 6.82 2.02 -1.20 -1.48 112.91 120.45 3m1i h THR 321 Ca 0.03 -0.51 -0.06 0.00 0.77 0.00 0.00 66.41 66.64 3m1i h THR 321 Cb 0.96 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.86 3m1i h THR 321 CO 0.09 0.13 -0.07 0.22 0.37 0.00 0.00 175.52 176.25 3m1i h TYR 322 N -0.20 0.53 -0.39 3.16 3.20 -1.22 -2.74 116.97 119.32 3m1i h TYR 322 Ca 0.00 -0.12 -0.13 0.00 3.14 0.00 0.00 58.73 61.63 3m1i h TYR 322 Cb 0.22 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 3m1i h TYR 322 CO -0.00 0.71 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.89 3m1i h LEU 323 N 0.20 0.83 -1.57 2.82 3.38 -1.09 0.34 115.31 120.21 3m1i h LEU 323 Ca 0.06 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.72 3m1i h LEU 323 Cb 0.55 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3m1i h LEU 323 CO 0.03 1.05 0.30 0.00 0.09 0.00 0.00 178.44 179.90 3m1i h ALA 324 N 1.01 1.71 0.09 1.53 0.00 -1.27 -2.24 119.26 120.09 3m1i h ALA 324 Ca 0.09 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 3m1i h ALA 324 Cb 0.80 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3m1i h ALA 324 CO 0.07 0.26 -1.12 0.00 0.00 0.00 0.00 179.25 178.46 3m1i h ARG 325 N 0.58 0.18 0.00 0.00 2.47 -1.13 -3.44 114.38 113.05 3m1i h ARG 325 Ca 0.17 -0.32 0.00 0.00 -1.26 0.00 0.00 59.98 58.57 3m1i h ARG 325 Cb -0.03 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 3m1i h ARG 325 CO -0.04 1.15 0.00 0.09 0.56 0.00 0.00 179.97 181.73 3m1i n ASN 326 N -4.11 1.90 0.27 7.04 3.02 0.11 -4.74 115.26 118.74 3m1i n ASN 326 Ca -0.22 -1.95 0.15 0.00 -0.03 0.00 0.00 54.58 52.53 3m1i n ASN 326 Cb 0.80 0.00 0.72 0.00 -0.61 0.00 0.00 39.78 40.69 3m1i n ASN 326 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 3m1i h ARG 327 N 0.00 0.00 -0.46 3.52 0.11 -1.54 -0.16 114.38 115.85 3m1i h ARG 327 Ca 0.00 0.00 0.12 0.00 0.10 0.00 0.00 59.98 60.20 3m1i h ARG 327 Cb 0.52 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.58 3m1i h ARG 327 CO 0.00 0.08 0.32 0.00 0.10 0.00 0.00 179.97 180.47 3m1i h ALA 328 N 1.92 2.32 0.00 0.08 0.00 -1.85 -1.46 119.26 120.27 3m1i h ALA 328 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3m1i h ALA 328 Cb 0.45 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3m1i h ALA 328 CO 0.01 -0.44 -0.13 -0.07 0.00 0.00 0.00 179.25 178.62 3m1i h LEU 329 N 0.08 0.00 0.00 0.00 3.38 -1.39 -2.66 115.31 114.73 3m1i h LEU 329 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3m1i h LEU 329 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3m1i h LEU 329 CO -0.02 0.13 -1.30 0.18 0.09 0.00 0.00 178.44 177.52 3m1i n LEU 330 N -3.66 0.61 0.09 1.67 4.77 -0.57 -4.61 117.00 115.30 3m1i n LEU 330 Ca -0.02 -0.24 0.13 0.00 -0.03 0.00 0.00 56.01 55.84 3m1i n LEU 330 Cb 0.24 -0.02 0.29 0.00 -2.33 0.00 0.00 43.42 41.60 3m1i n LEU 330 CO 0.30 0.13 0.64 -0.33 -1.33 0.00 0.00 177.39 176.81 3m1i h GLU 331 N 0.00 0.00 0.00 3.23 5.08 -1.21 -3.39 114.58 118.28 3m1i h GLU 331 Ca 0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.12 3m1i h GLU 331 Cb 0.70 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 3m1i h GLU 331 CO 0.00 0.00 -1.90 -1.13 -1.00 0.00 0.00 179.01 174.98 3m1i n SER 332 N -2.23 2.34 -4.67 1.42 3.41 -1.26 -4.92 113.62 107.70 3m1i n SER 332 Ca 0.04 -0.05 -0.42 0.00 -0.26 0.00 0.00 58.87 58.18 3m1i n SER 332 Cb 0.44 0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 64.60 3m1i n SER 332 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3m1i s ASP 333 N -5.11 6.75 0.43 4.04 -1.08 -1.26 -4.92 116.67 115.53 3m1i s ASP 333 Ca -0.15 2.17 0.23 0.00 -0.52 0.00 0.00 52.55 54.28 3m1i s ASP 333 Cb 0.05 -2.55 0.94 0.00 -1.46 0.00 0.00 42.92 39.90 3m1i s ASP 333 CO 0.44 -0.83 1.84 -0.33 0.52 0.00 0.00 175.17 176.81 3m1i h GLU 334 N 8.61 0.00 0.00 4.34 4.39 -1.91 -1.67 114.58 128.34 3m1i h GLU 334 Ca -0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.32 3m1i h GLU 334 Cb 1.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 3m1i h GLU 334 CO 0.93 0.25 0.00 0.66 -1.16 0.00 0.00 179.01 179.70 3m1i h SER 335 N 0.00 0.00 -0.23 1.42 4.64 -1.96 -2.92 113.55 114.50 3m1i h SER 335 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3m1i h SER 335 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3m1i h SER 335 CO 0.03 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.17 3m1i n LEU 336 N -2.68 2.96 -0.06 5.97 4.77 -0.63 -4.54 117.00 122.79 3m1i n LEU 336 Ca -0.00 -1.36 -0.10 0.00 -0.03 0.00 0.00 56.01 54.52 3m1i n LEU 336 Cb 0.19 -0.14 0.05 0.00 -2.33 0.00 0.00 43.42 41.18 3m1i n LEU 336 CO 0.20 0.61 0.57 -0.09 -1.33 0.00 0.00 177.39 177.36 3m1i h ARG 337 N 3.66 0.74 -0.49 3.23 9.65 -1.52 -1.68 114.38 127.97 3m1i h ARG 337 Ca 0.00 -0.38 -0.12 0.00 -1.10 0.00 0.00 59.98 58.37 3m1i h ARG 337 Cb 0.83 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.41 3m1i h ARG 337 CO 0.00 1.00 -0.18 1.49 2.80 0.00 0.00 179.97 185.09 3m1i h GLU 338 N 0.61 0.98 -0.71 0.20 4.81 -1.80 -0.81 114.58 117.87 3m1i h GLU 338 Ca 0.05 -0.40 -0.06 0.00 -0.13 0.00 0.00 59.36 58.82 3m1i h GLU 338 Cb 0.94 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.25 3m1i h GLU 338 CO 0.09 1.08 0.22 1.25 -0.73 0.00 0.00 179.01 180.92 3m1i h LEU 339 N 0.84 1.03 0.05 1.64 5.85 -1.79 0.63 115.31 123.54 3m1i h LEU 339 Ca 0.12 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.64 3m1i h LEU 339 Cb 0.75 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 3m1i h LEU 339 CO 0.06 0.96 -0.08 0.25 -0.34 0.00 0.00 178.44 179.29 3m1i h LEU 340 N 1.04 -0.21 -0.45 2.25 5.85 -1.03 -1.28 115.31 121.48 3m1i h LEU 340 Ca 0.23 0.03 -0.16 0.00 0.84 0.00 0.00 57.88 58.81 3m1i h LEU 340 Cb 0.30 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 3m1i h LEU 340 CO -0.01 -0.12 -0.46 -0.07 -0.34 0.00 0.00 178.44 177.44 3m1i h LEU 341 N -0.16 0.83 -0.62 2.25 3.38 -1.05 -2.20 115.31 117.75 3m1i h LEU 341 Ca 0.02 -0.41 0.03 0.00 0.09 0.00 0.00 57.88 57.60 3m1i h LEU 341 Cb 0.17 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3m1i h LEU 341 CO -0.05 1.17 0.39 0.78 0.09 0.00 0.00 178.44 180.81 3m1i h ASN 342 N 0.61 0.63 -0.64 -0.43 2.35 -0.84 0.04 115.58 117.30 3m1i h ASN 342 Ca 0.03 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.73 3m1i h ASN 342 Cb 1.03 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 39.24 3m1i h ASN 342 CO 0.10 0.44 0.20 0.00 -1.65 0.00 0.00 177.43 176.52 3m1i h ALA 343 N 1.27 1.09 -0.23 -0.83 0.00 -1.11 -1.09 119.26 118.36 3m1i h ALA 343 Ca 0.25 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3m1i h ALA 343 Cb 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3m1i h ALA 343 CO -0.10 0.62 -0.26 0.45 0.00 0.00 0.00 179.25 179.96 3m1i h HIS 344 N 0.99 0.48 -0.60 0.00 3.86 -1.22 -2.38 115.15 116.29 3m1i h HIS 344 Ca 0.22 -0.10 -0.09 0.00 -1.16 0.00 0.00 60.37 59.24 3m1i h HIS 344 Cb 0.29 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.62 3m1i h HIS 344 CO 0.02 0.66 0.02 0.37 0.86 0.00 0.00 177.93 179.87 3m1i h GLN 345 N 0.38 1.04 -0.94 2.45 5.75 -0.59 0.18 115.11 123.38 3m1i h GLN 345 Ca 0.06 -0.32 0.03 0.00 -0.15 0.00 0.00 58.65 58.27 3m1i h GLN 345 Cb 0.66 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 29.06 3m1i h GLN 345 CO 0.05 1.01 0.62 1.88 -2.65 0.00 0.00 178.83 179.73 3m1i h TYR 346 N 0.93 1.14 -0.67 3.99 0.05 -1.06 -0.45 116.97 120.92 3m1i h TYR 346 Ca 0.17 0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.90 3m1i h TYR 346 Cb 0.52 -0.38 -0.03 0.00 1.01 0.00 0.00 36.73 37.86 3m1i h TYR 346 CO 0.04 0.67 0.09 -0.07 -1.05 0.00 0.00 178.16 177.84 3m1i h LEU 347 N 1.19 1.07 -0.54 3.88 3.38 -0.84 0.56 115.31 124.01 3m1i h LEU 347 Ca 0.37 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 58.10 3m1i h LEU 347 Cb -0.01 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 3m1i h LEU 347 CO -0.11 1.07 0.32 0.40 0.09 0.00 0.00 178.44 180.22 3m1i h ILE 348 N 1.04 1.06 -0.54 1.22 1.08 -0.25 -1.05 117.51 120.06 3m1i h ILE 348 Ca 0.20 -0.22 -0.06 0.00 -0.39 0.00 0.00 64.86 64.39 3m1i h ILE 348 Cb 0.47 0.36 -0.02 0.00 -3.07 0.00 0.00 36.82 34.56 3m1i h ILE 348 CO 0.02 0.12 0.08 1.56 -0.69 0.00 0.00 178.15 179.23 3m1i h GLN 349 N 0.64 0.87 0.00 2.37 1.08 -0.65 -2.38 115.11 117.04 3m1i h GLN 349 Ca 0.21 -0.21 -0.06 0.00 -1.45 0.00 0.00 58.65 57.15 3m1i h GLN 349 Cb 0.02 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 3m1i h GLN 349 CO -0.09 0.82 -0.29 -0.07 -0.95 0.00 0.00 178.83 178.25 3m1i h LEU 350 N 0.82 0.00 0.00 1.46 3.38 -0.51 -2.55 115.31 117.92 3m1i h LEU 350 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3m1i h LEU 350 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3m1i h LEU 350 CO 0.01 0.29 0.00 -1.20 0.09 0.00 0.00 178.44 177.62 3m1i n SER 351 N -4.18 0.00 0.03 -0.43 7.64 -0.43 -2.14 113.62 114.11 3m1i n SER 351 Ca -0.02 0.37 0.12 0.00 1.01 0.00 0.00 58.87 60.35 3m1i n SER 351 Cb 0.33 -0.45 0.24 0.00 -1.01 0.00 0.00 64.21 63.32 3m1i n SER 351 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3m1i n LYS 352 N -1.45 0.15 -1.85 1.43 5.02 -0.96 -4.90 118.16 115.60 3m1i n LYS 352 Ca 0.07 0.04 -0.41 0.00 -2.02 0.00 0.00 58.31 55.99 3m1i n LYS 352 Cb 0.25 -1.60 -0.02 0.00 -0.02 0.00 0.00 35.03 33.65 3m1i n LYS 352 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3m1i s ILE 353 N -3.09 2.25 -0.87 -0.18 1.01 -0.91 -4.73 121.20 114.68 3m1i s ILE 353 Ca 0.09 0.21 -0.23 0.00 0.00 0.00 0.00 60.65 60.72 3m1i s ILE 353 Cb 0.15 -3.13 0.07 0.00 0.01 0.00 0.00 42.46 39.56 3m1i s ILE 353 CO 0.70 0.03 1.24 -1.61 0.00 0.00 0.00 174.94 175.30 3m1i s GLU 354 N -0.42 3.41 -0.30 2.79 2.02 -1.26 -4.75 118.70 120.19 3m1i s GLU 354 Ca 0.62 -1.03 -0.09 0.00 0.02 0.00 0.00 54.97 54.49 3m1i s GLU 354 Cb -0.46 -4.78 0.18 0.00 0.10 0.00 0.00 34.13 29.17 3m1i s GLU 354 CO 0.46 -2.01 0.92 -2.00 0.02 0.00 0.00 175.26 172.65 3m1i s GLU 355 N 4.40 0.28 0.19 1.61 2.56 -1.26 -4.96 118.70 121.53 3m1i s GLU 355 Ca 0.36 0.44 -0.12 0.00 0.00 0.00 0.00 54.97 55.65 3m1i s GLU 355 Cb -0.06 0.23 0.16 0.00 2.00 0.00 0.00 34.13 36.46 3m1i s GLU 355 CO -0.01 -0.38 1.82 -0.09 -0.56 0.00 0.00 175.26 176.04 3m1i h ARG 356 N 7.85 0.66 -0.61 4.30 2.43 -1.99 0.09 114.38 127.10 3m1i h ARG 356 Ca -0.13 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 58.94 3m1i h ARG 356 Cb 1.17 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.55 3m1i h ARG 356 CO -0.01 0.44 0.16 0.93 -1.51 0.00 0.00 179.97 179.98 3m1i h GLU 357 N 0.68 0.95 -0.35 0.20 4.39 -1.99 0.08 114.58 118.54 3m1i h GLU 357 Ca 0.25 -0.20 -0.14 0.00 0.34 0.00 0.00 59.36 59.61 3m1i h GLU 357 Cb 0.07 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 3m1i h GLU 357 CO -0.13 0.84 -0.34 1.25 -1.16 0.00 0.00 179.01 179.47 3m1i h LEU 358 N 0.91 0.90 -0.69 1.33 5.85 -1.90 -2.25 115.31 119.45 3m1i h LEU 358 Ca 0.20 -0.47 0.04 0.00 0.84 0.00 0.00 57.88 58.50 3m1i h LEU 358 Cb 0.31 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 3m1i h LEU 358 CO -0.00 1.18 0.41 0.15 -0.34 0.00 0.00 178.44 179.84 3m1i h PHE 359 N 0.63 0.77 -0.51 1.25 3.57 -0.66 -1.84 116.94 120.14 3m1i h PHE 359 Ca 0.06 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 3m1i h PHE 359 Cb 0.92 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 3m1i h PHE 359 CO 0.07 0.41 0.21 0.87 -2.23 0.00 0.00 178.31 177.64 3m1i h LYS 360 N 0.78 0.73 -0.49 1.11 1.57 -0.85 0.81 116.57 120.24 3m1i h LYS 360 Ca 0.29 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 3m1i h LYS 360 Cb 0.10 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3m1i h LYS 360 CO -0.14 0.59 0.22 1.15 -0.57 0.00 0.00 179.45 180.70 3m1i h THR 361 N 0.72 1.20 -0.29 -0.16 2.02 -0.75 -1.37 112.91 114.28 3m1i h THR 361 Ca 0.18 -0.57 -0.17 0.00 0.77 0.00 0.00 66.41 66.62 3m1i h THR 361 Cb 0.13 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 67.21 3m1i h THR 361 CO -0.02 0.22 -0.49 0.71 0.37 0.00 0.00 175.52 176.31 3m1i h THR 362 N 0.64 1.29 -0.60 3.16 1.35 -1.05 -2.90 112.91 114.79 3m1i h THR 362 Ca 0.17 -1.68 -0.06 0.00 -0.55 0.00 0.00 66.41 64.29 3m1i h THR 362 Cb 0.14 1.58 -0.03 0.00 -1.73 0.00 0.00 68.15 68.11 3m1i h THR 362 CO -0.02 0.55 0.14 0.25 -0.25 0.00 0.00 175.52 176.19 3m1i h LEU 363 N 0.63 0.88 -0.98 3.87 5.85 -0.77 0.12 115.31 124.91 3m1i h LEU 363 Ca 0.03 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.59 3m1i h LEU 363 Cb 1.07 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.82 3m1i h LEU 363 CO 0.11 0.86 0.65 0.44 -0.34 0.00 0.00 178.44 180.15 3m1i h ASP 364 N 0.90 1.11 -0.35 1.25 3.32 -1.11 0.52 116.42 122.07 3m1i h ASP 364 Ca 0.19 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 3m1i h ASP 364 Cb 0.33 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3m1i h ASP 364 CO 0.00 0.80 -0.03 0.22 -1.72 0.00 0.00 179.24 178.51 3m1i h TYR 365 N 1.31 0.70 -0.58 4.55 3.20 -1.14 -2.69 116.97 122.33 3m1i h TYR 365 Ca 0.36 -0.13 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 3m1i h TYR 365 Cb -0.13 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 37.93 3m1i h TYR 365 CO -0.00 0.76 0.25 -1.49 -1.64 0.00 0.00 178.16 176.05 3m1i h TRP 366 N 0.43 0.82 -0.30 -3.82 -0.00 -0.51 0.50 115.95 113.07 3m1i h TRP 366 Ca 0.09 -0.03 0.05 0.00 -0.00 0.00 0.00 58.89 59.00 3m1i h TRP 366 Cb 0.51 -0.26 -0.04 0.00 -0.00 0.00 0.00 29.16 29.37 3m1i h TRP 366 CO 0.04 0.62 0.03 1.25 -0.00 0.00 0.00 178.44 180.38 3m1i h HIS 367 N 0.82 0.05 -0.58 0.49 2.76 -0.87 0.24 115.15 118.06 3m1i h HIS 367 Ca 0.20 0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.45 3m1i h HIS 367 Cb 0.12 0.02 -0.05 0.00 1.55 0.00 0.00 27.41 29.05 3m1i h HIS 367 CO 0.01 -0.01 0.29 -0.97 -1.30 0.00 0.00 177.93 175.95 3m1i h ASN 368 N 0.13 0.40 0.28 3.26 -0.73 -1.00 -1.38 115.58 116.54 3m1i h ASN 368 Ca 0.14 0.04 -0.01 0.00 1.87 0.00 0.00 56.30 58.34 3m1i h ASN 368 Cb 0.17 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 38.73 3m1i h ASN 368 CO -0.21 0.26 -0.13 0.25 -0.37 0.00 0.00 177.43 177.23 3m1i h LEU 369 N 0.54 -0.31 -0.77 0.34 5.85 -0.68 -2.98 115.31 117.29 3m1i h LEU 369 Ca 0.27 -0.16 -0.13 0.00 0.84 0.00 0.00 57.88 58.69 3m1i h LEU 369 Cb 0.20 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3m1i h LEU 369 CO -0.20 0.00 -0.55 -0.37 -0.34 0.00 0.00 178.44 176.98 3m1i h VAL 370 N -0.65 1.38 -0.84 1.05 -1.51 -0.84 -0.79 116.25 114.06 3m1i h VAL 370 Ca -0.04 -1.88 -0.02 0.00 -1.23 0.00 0.00 66.70 63.53 3m1i h VAL 370 Cb 0.46 1.95 -0.04 0.00 -2.13 0.00 0.00 31.29 31.53 3m1i h VAL 370 CO 0.06 0.55 0.43 0.00 -1.23 0.00 0.00 177.57 177.38 3m1i h ALA 371 N 1.30 1.08 -0.44 5.19 0.00 -1.37 -0.10 119.26 124.92 3m1i h ALA 371 Ca -0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3m1i h ALA 371 Cb 1.02 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3m1i h ALA 371 CO 0.08 0.61 0.11 0.22 0.00 0.00 0.00 179.25 180.27 3m1i h ASP 372 N 1.18 0.67 -0.55 0.00 3.58 -1.09 -2.46 116.42 117.75 3m1i h ASP 372 Ca 0.29 -0.23 0.03 0.00 0.42 0.00 0.00 57.03 57.54 3m1i h ASP 372 Cb 0.07 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 40.92 3m1i h ASP 372 CO -0.04 0.73 0.36 -0.07 -2.88 0.00 0.00 179.24 177.34 3m1i h LEU 373 N 0.58 0.55 -0.78 2.28 3.38 -0.94 0.78 115.31 121.16 3m1i h LEU 373 Ca 0.14 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 3m1i h LEU 373 Cb 0.32 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3m1i h LEU 373 CO 0.00 0.38 -0.30 0.15 0.09 0.00 0.00 178.44 178.76 3m1i h PHE 374 N 0.64 0.67 0.00 1.13 3.57 -0.63 -3.38 116.94 118.93 3m1i h PHE 374 Ca 0.22 -0.16 -0.24 0.00 3.53 0.00 0.00 57.97 61.31 3m1i h PHE 374 Cb 0.08 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.62 3m1i h PHE 374 CO -0.00 0.82 -1.92 0.66 -2.23 0.00 0.00 178.31 175.64 3m1i n TYR 375 N -4.08 0.00 -3.23 0.41 4.01 -0.96 -5.01 117.16 108.30 3m1i n TYR 375 Ca -0.01 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.34 3m1i n TYR 375 Cb 0.45 -0.66 -0.06 0.00 -0.31 0.00 0.00 39.34 38.76 3m1i n TYR 375 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 3m1i s GLU 376 N -2.32 4.22 0.45 -0.72 2.56 0.27 -5.03 118.70 118.12 3m1i s GLU 376 Ca -0.08 0.46 -0.25 0.00 0.00 0.00 0.00 54.97 55.10 3m1i s GLU 376 Cb 0.04 -3.55 -0.08 0.00 2.00 0.00 0.00 34.13 32.54 3m1i s GLU 376 CO 0.53 -0.12 1.37 -2.14 -0.56 0.00 0.00 175.26 174.34 3m1i s PRO 414 N 1.55 3.73 -0.43 4.30 0.02 -1.26 -3.51 135.00 139.39 3m1i s PRO 414 Ca 0.25 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.57 3m1i s PRO 414 Cb -0.15 -2.64 0.00 0.00 0.02 0.00 0.00 34.50 31.72 3m1i s PRO 414 CO 0.10 -0.74 0.00 1.28 -0.33 0.00 0.00 177.00 177.31 3m1i n LEU 415 N -0.18 -0.12 -0.10 -5.54 4.77 -1.26 -4.89 117.00 109.69 3m1i n LEU 415 Ca 0.05 0.10 -0.13 0.00 -0.03 0.00 0.00 56.01 56.00 3m1i n LEU 415 Cb 0.43 -1.32 -0.09 0.00 -2.33 0.00 0.00 43.42 40.11 3m1i n LEU 415 CO 0.57 -0.39 -1.14 0.29 -1.33 0.00 0.00 177.39 175.39 3m1i n LYS 416 N -2.17 0.52 -0.26 3.23 4.76 -1.23 -4.66 118.16 118.35 3m1i n LYS 416 Ca -0.04 0.11 0.19 0.00 -2.87 0.00 0.00 58.31 55.70 3m1i n LYS 416 Cb 0.22 -1.39 0.50 0.00 -1.84 0.00 0.00 35.03 32.52 3m1i n LYS 416 CO 0.00 0.00 0.00 1.57 -1.37 0.00 0.00 177.40 177.60 3m1i h LYS 417 N 0.00 0.42 -0.01 1.97 2.10 -1.82 -1.71 116.57 117.52 3m1i h LYS 417 Ca -0.44 -0.03 -0.03 0.00 -2.00 0.00 0.00 60.65 58.15 3m1i h LYS 417 Cb 1.69 -0.09 -0.00 0.00 -0.90 0.00 0.00 32.23 32.92 3m1i h LYS 417 CO -0.07 0.28 -0.15 1.12 -2.00 0.00 0.00 179.45 178.63 3m1i h HIS 418 N 0.43 0.01 -0.39 0.07 2.07 -1.97 -2.06 115.15 113.31 3m1i h HIS 418 Ca 0.48 -0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.95 3m1i h HIS 418 Cb 1.18 -0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.13 3m1i h HIS 418 CO -0.00 0.16 0.02 0.82 -3.07 0.00 0.00 177.93 175.86 3m1i h ILE 419 N 0.01 1.21 -0.50 6.12 2.04 -1.60 -3.18 117.51 121.60 3m1i h ILE 419 Ca 0.00 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.04 3m1i h ILE 419 Cb 0.27 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3m1i h ILE 419 CO 0.02 0.29 0.00 -1.22 0.00 0.00 0.00 178.15 177.24 3m1i n TYR 420 N -4.27 1.49 -0.31 1.37 4.01 -0.78 -4.65 117.16 114.02 3m1i n TYR 420 Ca 0.02 -0.71 -0.02 0.00 -0.16 0.00 0.00 57.90 57.03 3m1i n TYR 420 Cb 0.25 -0.34 0.10 0.00 -0.31 0.00 0.00 39.34 39.04 3m1i n TYR 420 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 3m1i h GLU 421 N 3.33 1.06 -0.01 -0.72 5.08 -1.52 0.26 114.58 122.06 3m1i h GLU 421 Ca 0.00 -0.06 -0.24 0.00 -1.00 0.00 0.00 59.36 58.06 3m1i h GLU 421 Cb 1.59 -0.24 0.01 0.00 0.50 0.00 0.00 28.75 30.61 3m1i h GLU 421 CO 0.31 0.70 -0.96 1.49 -1.00 0.00 0.00 179.01 179.55 3m1i h GLU 422 N 1.09 0.52 -0.36 2.33 4.57 -1.88 -1.62 114.58 119.24 3m1i h GLU 422 Ca 0.33 -0.55 0.02 0.00 -1.18 0.00 0.00 59.36 57.99 3m1i h GLU 422 Cb -0.03 0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.68 3m1i h GLU 422 CO -0.10 1.18 0.19 0.82 -1.18 0.00 0.00 179.01 179.92 3m1i h ILE 423 N 0.30 1.01 -0.99 2.32 1.08 -1.66 -2.84 117.51 116.73 3m1i h ILE 423 Ca -0.09 -0.14 0.04 0.00 -0.39 0.00 0.00 64.86 64.28 3m1i h ILE 423 Cb 1.59 0.58 -0.06 0.00 -3.07 0.00 0.00 36.82 35.87 3m1i h ILE 423 CO 0.17 0.07 0.65 0.00 -0.69 0.00 0.00 178.15 178.35 3m1i h SER 425 N 1.25 -0.03 -0.65 0.00 0.02 -1.22 -0.33 113.55 112.59 3m1i h SER 425 Ca 0.39 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.30 3m1i h SER 425 Cb 0.00 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 3m1i h SER 425 CO -0.12 -0.01 0.25 1.56 -1.14 0.00 0.00 176.83 177.37 3m1i h GLN 426 N -0.01 1.01 -0.47 3.45 4.20 -1.22 -3.04 115.11 119.03 3m1i h GLN 426 Ca 0.01 -0.18 -0.11 0.00 0.06 0.00 0.00 58.65 58.43 3m1i h GLN 426 Cb 0.02 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 3m1i h GLN 426 CO -0.01 0.84 -0.14 1.25 -0.67 0.00 0.00 178.83 180.09 3m1i h LEU 427 N 0.99 0.90 -0.49 1.46 5.85 -0.49 -1.89 115.31 121.63 3m1i h LEU 427 Ca 0.23 -0.30 0.09 0.00 0.84 0.00 0.00 57.88 58.74 3m1i h LEU 427 Cb 0.22 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 40.93 3m1i h LEU 427 CO -0.02 1.04 0.05 0.03 -0.34 0.00 0.00 178.44 179.20 3m1i h ARG 428 N 0.79 0.17 -0.58 1.25 3.08 -0.97 -0.51 114.38 117.61 3m1i h ARG 428 Ca 0.12 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.13 3m1i h ARG 428 Cb 0.67 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 3m1i h ARG 428 CO 0.05 0.11 0.22 1.25 -1.07 0.00 0.00 179.97 180.53 3m1i h LEU 429 N 0.17 0.80 -0.40 3.04 5.85 -1.39 -1.31 115.31 122.08 3m1i h LEU 429 Ca 0.25 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 3m1i h LEU 429 Cb 0.35 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 3m1i h LEU 429 CO -0.36 0.76 0.11 0.58 -0.34 0.00 0.00 178.44 179.19 3m1i h VAL 430 N 0.80 1.22 -0.13 1.05 2.07 -0.78 -0.83 116.25 119.65 3m1i h VAL 430 Ca 0.19 -0.74 -0.07 0.00 0.82 0.00 0.00 66.70 66.90 3m1i h VAL 430 Cb 0.22 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3m1i h VAL 430 CO -0.01 0.26 -0.18 0.40 0.02 0.00 0.00 177.57 178.06 3m1i h ILE 431 N 0.50 1.36 -0.89 4.57 1.08 -1.02 -2.35 117.51 120.76 3m1i h ILE 431 Ca 0.13 -1.39 0.14 0.00 -0.39 0.00 0.00 64.86 63.34 3m1i h ILE 431 Cb 0.28 1.98 -0.09 0.00 -3.07 0.00 0.00 36.82 35.92 3m1i h ILE 431 CO -0.00 0.41 0.50 0.40 -0.69 0.00 0.00 178.15 178.76 3m1i h ILE 432 N -0.05 0.79 0.00 -0.67 2.04 -1.16 -1.74 117.51 116.72 3m1i h ILE 432 Ca 0.01 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.62 3m1i h ILE 432 Cb 0.73 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3m1i h ILE 432 CO 0.04 0.13 -0.02 -0.33 0.00 0.00 0.00 178.15 177.98 3m1i h GLU 433 N 0.73 0.00 -0.06 2.37 5.08 -1.02 -3.29 114.58 118.39 3m1i h GLU 433 Ca 0.47 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.80 3m1i h GLU 433 Cb 0.61 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 3m1i h GLU 433 CO -0.33 0.00 -0.40 0.09 -1.00 0.00 0.00 179.01 177.37 3m1i n ASN 434 N -2.30 1.89 -4.75 1.42 3.02 -0.70 -4.99 115.26 108.85 3m1i n ASN 434 Ca 0.05 -3.83 -0.41 0.00 -0.03 0.00 0.00 54.58 50.36 3m1i n ASN 434 Cb 0.44 -0.54 -0.03 0.00 -0.61 0.00 0.00 39.78 39.04 3m1i n ASN 434 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3m1i s MET 435 N -3.22 4.38 0.45 3.52 -1.94 -0.96 -5.00 119.30 116.54 3m1i s MET 435 Ca 0.39 2.13 0.07 0.00 -1.71 0.00 0.00 55.69 56.57 3m1i s MET 435 Cb 0.37 -3.13 -0.00 0.00 2.01 0.00 0.00 34.83 34.07 3m1i s MET 435 CO -0.05 -0.21 0.41 0.14 -0.01 0.00 0.00 175.02 175.30 3m1i s VAL 436 N -0.51 2.42 -0.09 -6.03 -7.23 -1.26 -4.78 120.40 102.93 3m1i s VAL 436 Ca 0.53 -1.36 -0.30 0.00 -1.81 0.00 0.00 61.98 59.05 3m1i s VAL 436 Cb -0.38 -2.78 -0.04 0.00 0.56 0.00 0.00 36.38 33.74 3m1i s VAL 436 CO 0.45 0.00 1.41 -0.60 -0.31 0.00 0.00 175.10 176.04 3m1i s ARG 437 N -4.19 4.24 0.98 4.82 3.52 -1.26 -4.77 118.95 122.29 3m1i s ARG 437 Ca 0.46 1.89 -0.11 0.00 -0.13 0.00 0.00 55.73 57.84 3m1i s ARG 437 Cb -0.03 -3.77 0.18 0.00 -1.56 0.00 0.00 34.95 29.77 3m1i s ARG 437 CO 0.27 -0.70 1.09 -2.14 -0.81 0.00 0.00 175.30 173.01 3m1i s PRO 438 N 3.32 0.52 0.44 5.12 0.02 -1.26 -4.61 135.00 138.54 3m1i s PRO 438 Ca 0.62 1.14 0.23 0.00 0.02 0.00 0.00 61.00 63.01 3m1i s PRO 438 Cb -0.27 -1.70 0.96 0.00 0.02 0.00 0.00 34.50 33.51 3m1i s PRO 438 CO 0.22 -2.84 1.85 1.05 -0.33 0.00 0.00 177.00 176.95 3m1i h GLU 439 N -2.00 0.00 0.00 5.54 4.11 -1.93 -2.22 114.58 118.08 3m1i h GLU 439 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.92 3m1i h GLU 439 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 3m1i h GLU 439 CO 0.48 0.24 0.00 -0.85 0.07 0.00 0.00 179.01 178.95 3m1i n GLU 440 N -3.48 0.55 -3.17 1.06 0.00 -1.26 -4.59 120.64 109.76 3m1i n GLU 440 Ca -0.00 0.02 -0.43 0.00 0.00 0.00 0.00 57.16 56.75 3m1i n GLU 440 Cb 0.41 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 30.28 3m1i n GLU 440 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 3m1i s VAL 441 N -2.36 4.89 -2.38 3.84 1.01 -0.84 -4.90 120.40 119.67 3m1i s VAL 441 Ca 0.31 -0.09 0.22 0.00 0.00 0.00 0.00 61.98 62.41 3m1i s VAL 441 Cb 0.18 -4.18 0.44 0.00 0.00 0.00 0.00 36.38 32.81 3m1i s VAL 441 CO 0.37 -0.59 1.44 0.18 0.00 0.00 0.00 175.10 176.50 3m1i n LEU 442 N 6.10 2.86 -4.48 3.92 4.77 -1.26 -4.89 117.00 124.01 3m1i n LEU 442 Ca -0.04 -1.24 -0.33 0.00 -0.03 0.00 0.00 56.01 54.38 3m1i n LEU 442 Cb 0.47 -0.21 -0.13 0.00 -2.33 0.00 0.00 43.42 41.22 3m1i n LEU 442 CO 0.52 0.62 -0.45 -0.69 -1.33 0.00 0.00 177.39 176.06 3m1i s VAL 443 N -1.57 3.08 0.00 4.08 1.01 -1.26 -1.42 120.40 124.32 3m1i s VAL 443 Ca 0.36 -0.77 -0.18 0.00 0.00 0.00 0.00 61.98 61.39 3m1i s VAL 443 Cb 0.21 -2.22 0.03 0.00 0.00 0.00 0.00 36.38 34.40 3m1i s VAL 443 CO 0.29 0.56 0.40 -0.69 0.00 0.00 0.00 175.10 175.66 3m1i s VAL 444 N -0.77 0.05 -0.20 2.92 1.01 -0.02 -4.88 120.40 118.50 3m1i s VAL 444 Ca 0.12 -0.41 -0.29 0.00 0.00 0.00 0.00 61.98 61.40 3m1i s VAL 444 Cb -0.11 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.48 3m1i s VAL 444 CO 0.01 -0.22 1.05 -0.70 0.00 0.00 0.00 175.10 175.24 3m1i s GLU 445 N -1.72 4.29 1.03 2.72 2.12 -1.26 -0.75 118.70 125.14 3m1i s GLU 445 Ca -0.10 1.38 -0.17 0.00 0.36 0.00 0.00 54.97 56.44 3m1i s GLU 445 Cb -0.03 -3.63 0.23 0.00 0.26 0.00 0.00 34.13 30.96 3m1i s GLU 445 CO 0.03 -0.58 1.26 0.54 -0.54 0.00 0.00 175.26 175.97 3m1i s ASN 446 N 1.22 2.46 0.53 -1.70 6.03 -0.05 -4.94 114.94 118.49 3m1i s ASN 446 Ca 0.45 0.36 0.34 0.00 -1.03 0.00 0.00 52.86 52.98 3m1i s ASN 446 Cb -0.16 -0.45 1.52 0.00 -3.03 0.00 0.00 41.25 39.13 3m1i s ASN 446 CO 0.09 -3.15 2.01 0.44 -2.03 0.00 0.00 177.10 174.46 3m1i h ASP 447 N -1.92 0.00 -0.59 3.54 5.19 -1.97 -2.71 116.42 117.95 3m1i h ASP 447 Ca -0.44 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 55.80 3m1i h ASP 447 Cb 1.25 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 40.66 3m1i h ASP 447 CO 0.36 0.00 0.17 -1.84 -3.12 0.00 0.00 179.24 174.81 3m1i n GLU 448 N -2.94 3.33 -1.32 3.56 0.28 -1.26 -4.96 120.64 117.33 3m1i n GLU 448 Ca 0.00 -3.06 -0.06 0.00 -0.16 0.00 0.00 57.16 53.87 3m1i n GLU 448 Cb 0.24 -2.09 -0.02 0.00 1.43 0.00 0.00 31.44 30.99 3m1i n GLU 448 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3m1i n GLY 449 N -0.36 0.77 3.86 -1.84 0.00 -1.02 -5.06 105.19 101.54 3m1i n GLY 449 Ca 0.36 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 3m1i n GLY 449 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m1i s GLU 450 N -2.80 3.32 -0.29 1.61 2.02 -1.26 -4.91 118.70 116.39 3m1i s GLU 450 Ca 0.00 -0.35 -0.18 0.00 0.02 0.00 0.00 54.97 54.46 3m1i s GLU 450 Cb 0.00 -3.03 -0.02 0.00 0.10 0.00 0.00 34.13 31.18 3m1i s GLU 450 CO 0.00 0.68 0.50 0.42 0.02 0.00 0.00 175.26 176.88 3m1i s ILE 451 N -1.25 5.06 0.23 -1.63 -1.09 -1.26 -0.87 121.20 120.40 3m1i s ILE 451 Ca 0.24 0.70 0.04 0.00 -2.23 0.00 0.00 60.65 59.41 3m1i s ILE 451 Cb -0.12 -3.85 -0.05 0.00 -1.58 0.00 0.00 42.46 36.85 3m1i s ILE 451 CO 0.15 0.01 -0.02 0.68 -1.23 0.00 0.00 174.94 174.54 3m1i s VAL 452 N 2.32 1.12 0.29 2.92 -7.23 0.07 -4.90 120.40 114.99 3m1i s VAL 452 Ca 0.20 -2.05 -0.29 0.00 -1.81 0.00 0.00 61.98 58.03 3m1i s VAL 452 Cb -0.16 -2.32 -0.10 0.00 0.56 0.00 0.00 36.38 34.37 3m1i s VAL 452 CO 0.10 -0.36 1.35 -0.60 -0.31 0.00 0.00 175.10 175.29 3m1i s ARG 453 N -3.84 4.32 0.14 4.82 3.52 -1.26 -0.84 118.95 125.81 3m1i s ARG 453 Ca 0.28 2.24 -0.31 0.00 -0.13 0.00 0.00 55.73 57.81 3m1i s ARG 453 Cb 0.05 -3.09 -0.08 0.00 -1.56 0.00 0.00 34.95 30.27 3m1i s ARG 453 CO 0.08 -0.28 1.32 -1.83 -0.81 0.00 0.00 175.30 173.79 3m1i s GLU 454 N -1.20 4.37 -0.03 5.12 -1.05 -0.51 -4.85 118.70 120.55 3m1i s GLU 454 Ca 0.53 2.01 -0.21 0.00 -0.15 0.00 0.00 54.97 57.15 3m1i s GLU 454 Cb -0.40 -3.25 -0.27 0.00 -0.44 0.00 0.00 34.13 29.77 3m1i s GLU 454 CO 0.49 -0.33 0.99 0.74 0.95 0.00 0.00 175.26 178.10 3m1i h PHE 455 N 6.28 0.54 -3.99 4.83 -1.00 -1.93 -3.46 116.94 118.21 3m1i h PHE 455 Ca -0.43 -0.34 -0.69 0.00 2.81 0.00 0.00 57.97 59.32 3m1i h PHE 455 Cb 1.21 -0.04 -0.25 0.00 3.61 0.00 0.00 35.95 40.48 3m1i h PHE 455 CO 0.65 1.21 -0.79 0.14 -1.61 0.00 0.00 178.31 177.90 3m1i s VAL 456 N -2.82 2.91 0.41 -0.55 -7.23 -1.26 -5.12 120.40 106.74 3m1i s VAL 456 Ca -0.14 -0.77 -0.25 0.00 -1.81 0.00 0.00 61.98 59.01 3m1i s VAL 456 Cb 0.02 -2.14 -0.08 0.00 0.56 0.00 0.00 36.38 34.74 3m1i s VAL 456 CO 0.82 0.58 1.21 -0.54 -0.31 0.00 0.00 175.10 176.86 3m1i s LYS 457 N -0.54 3.96 -0.40 4.82 1.02 -1.26 -5.02 119.74 122.33 3m1i s LYS 457 Ca 0.07 1.93 -0.02 0.00 0.02 0.00 0.00 55.97 57.97 3m1i s LYS 457 Cb -0.11 -2.65 0.11 0.00 -0.52 0.00 0.00 37.83 34.65 3m1i s LYS 457 CO 0.01 -0.42 0.18 -1.21 -0.92 0.00 0.00 175.35 172.99 3m1i s GLU 458 N -2.34 1.94 0.38 1.68 2.02 -1.26 -4.95 118.70 116.16 3m1i s GLU 458 Ca 0.58 -1.82 0.05 0.00 0.02 0.00 0.00 54.97 53.80 3m1i s GLU 458 Cb -0.33 -3.53 0.73 0.00 0.10 0.00 0.00 34.13 31.11 3m1i s GLU 458 CO 0.41 -1.05 2.02 0.77 0.02 0.00 0.00 175.26 177.43 3m1i h SER 459 N 7.99 0.59 -0.30 -0.19 0.02 -1.99 -0.84 113.55 118.83 3m1i h SER 459 Ca -0.12 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.77 3m1i h SER 459 Cb 1.04 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 3m1i h SER 459 CO 0.67 0.45 0.05 -2.24 -1.14 0.00 0.00 176.83 174.62 3m1i h ASP 460 N 0.69 0.48 0.25 3.07 2.03 -1.99 -1.74 116.42 119.20 3m1i h ASP 460 Ca 0.18 -0.26 -0.14 0.00 -0.73 0.00 0.00 57.03 56.09 3m1i h ASP 460 Cb -0.04 -0.13 -0.01 0.00 -0.83 0.00 0.00 39.33 38.32 3m1i h ASP 460 CO -0.04 0.62 -0.54 0.00 -1.03 0.00 0.00 179.24 178.25 3m1i h THR 461 N 0.32 1.35 -0.44 1.15 1.03 -1.81 -1.57 112.91 112.95 3m1i h THR 461 Ca 0.09 -1.82 -0.05 0.00 -0.01 0.00 0.00 66.41 64.62 3m1i h THR 461 Cb 0.34 1.86 -0.02 0.00 -1.07 0.00 0.00 68.15 69.26 3m1i h THR 461 CO 0.01 0.55 0.09 0.40 -0.01 0.00 0.00 175.52 176.55 3m1i h ILE 462 N 0.25 1.24 -0.87 0.00 2.04 -1.08 0.44 117.51 119.53 3m1i h ILE 462 Ca 0.00 -0.86 0.02 0.00 1.00 0.00 0.00 64.86 65.02 3m1i h ILE 462 Cb 1.03 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 38.01 3m1i h ILE 462 CO 0.09 0.30 0.57 1.56 0.00 0.00 0.00 178.15 180.67 3m1i h GLN 463 N 0.59 1.12 -0.22 2.37 1.08 -1.25 -1.49 115.11 117.31 3m1i h GLN 463 Ca 0.14 -0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 57.24 3m1i h GLN 463 Cb 0.36 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 3m1i h GLN 463 CO 0.01 0.74 0.02 1.25 -0.95 0.00 0.00 178.83 179.90 3m1i h LEU 464 N 1.15 0.36 -0.46 1.46 5.85 -0.90 -1.54 115.31 121.22 3m1i h LEU 464 Ca 0.33 -0.28 0.09 0.00 0.84 0.00 0.00 57.88 58.86 3m1i h LEU 464 Cb -0.09 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 40.76 3m1i h LEU 464 CO -0.08 0.54 -0.14 0.22 -0.34 0.00 0.00 178.44 178.64 3m1i h TYR 465 N 0.16 -0.31 -0.95 1.25 3.20 -0.79 0.12 116.97 119.64 3m1i h TYR 465 Ca 0.06 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.99 3m1i h TYR 465 Cb 0.35 0.21 -0.05 0.00 1.54 0.00 0.00 36.73 38.78 3m1i h TYR 465 CO 0.03 -0.22 0.63 0.87 -1.64 0.00 0.00 178.16 177.82 3m1i h LYS 466 N -0.03 1.23 -0.35 1.82 1.57 -0.97 0.38 116.57 120.22 3m1i h LYS 466 Ca 0.22 -0.07 -0.16 0.00 -1.87 0.00 0.00 60.65 58.77 3m1i h LYS 466 Cb 0.37 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3m1i h LYS 466 CO -0.49 0.82 -0.41 0.77 -0.57 0.00 0.00 179.45 179.56 3m1i h SER 467 N 1.27 0.93 -0.69 0.86 0.02 -0.82 -1.98 113.55 113.15 3m1i h SER 467 Ca 0.36 -0.44 0.02 0.00 -0.84 0.00 0.00 61.79 60.89 3m1i h SER 467 Cb -0.11 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.12 3m1i h SER 467 CO -0.09 1.22 0.44 -0.33 -1.14 0.00 0.00 176.83 176.93 3m1i h GLU 468 N 0.70 0.85 -0.67 3.45 5.08 -0.13 -2.46 114.58 121.41 3m1i h GLU 468 Ca 0.05 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3m1i h GLU 468 Cb 1.00 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 3m1i h GLU 468 CO 0.10 0.56 0.40 -0.09 -1.00 0.00 0.00 179.01 178.98 3m1i h ARG 469 N 0.88 0.91 -0.74 2.33 2.43 -0.89 -1.01 114.38 118.30 3m1i h ARG 469 Ca 0.26 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 3m1i h ARG 469 Cb -0.04 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.29 3m1i h ARG 469 CO -0.08 0.65 0.30 0.93 -1.51 0.00 0.00 179.97 180.26 3m1i h GLU 470 N 0.91 1.09 -0.29 0.20 5.08 -1.12 0.30 114.58 120.75 3m1i h GLU 470 Ca 0.24 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 3m1i h GLU 470 Cb -0.02 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 3m1i h GLU 470 CO -0.04 0.89 -0.12 0.28 -1.00 0.00 0.00 179.01 179.01 3m1i h VAL 471 N 1.07 1.29 -0.61 3.13 2.07 -1.24 -2.66 116.25 119.30 3m1i h VAL 471 Ca 0.25 -1.19 -0.05 0.00 0.82 0.00 0.00 66.70 66.53 3m1i h VAL 471 Cb 0.20 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 3m1i h VAL 471 CO -0.02 0.38 0.18 0.25 0.02 0.00 0.00 177.57 178.38 3m1i h LEU 472 N 0.34 0.87 -0.04 2.57 5.85 -0.92 0.36 115.31 124.34 3m1i h LEU 472 Ca 0.07 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3m1i h LEU 472 Cb 0.62 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 3m1i h LEU 472 CO 0.04 0.82 0.02 0.58 -0.34 0.00 0.00 178.44 179.55 3m1i h VAL 473 N 0.90 1.00 -0.68 1.05 2.07 -0.90 0.21 116.25 119.89 3m1i h VAL 473 Ca 0.20 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.74 3m1i h VAL 473 Cb 0.27 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 3m1i h VAL 473 CO -0.01 0.01 0.42 1.88 0.02 0.00 0.00 177.57 179.89 3m1i h TYR 474 N 0.04 0.79 -0.98 1.57 0.05 -1.15 -0.91 116.97 116.38 3m1i h TYR 474 Ca 0.01 0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.85 3m1i h TYR 474 Cb 0.00 -0.26 -0.05 0.00 1.01 0.00 0.00 36.73 37.43 3m1i h TYR 474 CO -0.08 0.45 0.64 -0.07 -1.05 0.00 0.00 178.16 178.05 3m1i h LEU 475 N 0.83 1.08 -0.31 3.88 3.38 -0.71 0.06 115.31 123.52 3m1i h LEU 475 Ca 0.27 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 58.04 3m1i h LEU 475 Cb 0.02 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.52 3m1i h LEU 475 CO -0.11 0.75 -0.63 0.00 0.09 0.00 0.00 178.44 178.54 3m1i h THR 476 N 1.26 1.29 -1.00 0.22 1.03 -0.22 -2.53 112.91 112.97 3m1i h THR 476 Ca 0.38 -1.85 0.05 0.00 -0.01 0.00 0.00 66.41 64.98 3m1i h THR 476 Cb -0.04 1.80 -0.06 0.00 -1.07 0.00 0.00 68.15 68.78 3m1i h THR 476 CO -0.11 0.59 0.65 -0.74 -0.01 0.00 0.00 175.52 175.90 3m1i h HIS 477 N 0.55 1.21 -0.28 0.00 -0.00 -0.76 -0.77 115.15 115.10 3m1i h HIS 477 Ca -0.01 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.35 3m1i h HIS 477 Cb 1.23 -0.40 -0.02 0.00 -0.00 0.00 0.00 27.41 28.23 3m1i h HIS 477 CO 0.07 0.65 -0.01 -0.07 -0.00 0.00 0.00 177.93 178.57 3m1i h LEU 478 N 1.21 0.39 -6.15 0.26 3.38 -0.79 -3.39 115.31 110.23 3m1i h LEU 478 Ca 0.42 -0.07 -0.21 0.00 0.09 0.00 0.00 57.88 58.11 3m1i h LEU 478 Cb 0.10 -0.10 -0.25 0.00 0.09 0.00 0.00 40.66 40.50 3m1i h LEU 478 CO -0.15 0.47 -0.57 0.21 0.09 0.00 0.00 178.44 178.49 3m1i s ASN 479 N -6.78 -0.24 0.25 -0.43 3.84 -0.77 -5.01 114.94 105.80 3m1i s ASN 479 Ca -0.07 -1.21 0.03 0.00 0.21 0.00 0.00 52.86 51.81 3m1i s ASN 479 Cb 0.16 1.28 0.31 0.00 -0.55 0.00 0.00 41.25 42.45 3m1i s ASN 479 CO 0.75 -0.21 1.62 1.62 -2.79 0.00 0.00 177.10 178.09 3m1i h VAL 480 N 5.00 1.32 -0.04 -5.21 3.04 -1.37 -2.51 116.25 116.49 3m1i h VAL 480 Ca 0.05 -1.65 0.01 0.00 -1.01 0.00 0.00 66.70 64.11 3m1i h VAL 480 Cb 1.12 1.71 -0.01 0.00 -2.01 0.00 0.00 31.29 32.10 3m1i h VAL 480 CO 0.15 0.50 -0.00 0.40 -1.01 0.00 0.00 177.57 177.61 3m1i h ILE 481 N 0.30 0.97 -0.78 3.17 2.04 -1.95 -1.37 117.51 119.89 3m1i h ILE 481 Ca 0.02 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 3m1i h ILE 481 Cb 0.92 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 3m1i h ILE 481 CO 0.08 0.00 0.42 -0.78 0.00 0.00 0.00 178.15 177.87 3m1i h ASP 482 N 0.01 0.97 -0.17 1.72 3.58 -1.92 -1.26 116.42 119.36 3m1i h ASP 482 Ca 0.02 -0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.34 3m1i h ASP 482 Cb 0.02 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.82 3m1i h ASP 482 CO -0.03 0.79 -0.05 0.74 -2.88 0.00 0.00 179.24 177.81 3m1i h THR 483 N 1.09 1.29 -0.82 2.25 2.02 -1.32 -1.88 112.91 115.55 3m1i h THR 483 Ca 0.27 -1.03 -0.00 0.00 0.77 0.00 0.00 66.41 66.43 3m1i h THR 483 Cb 0.04 1.62 -0.04 0.00 -1.74 0.00 0.00 68.15 68.03 3m1i h THR 483 CO -0.04 0.30 0.50 -0.08 0.37 0.00 0.00 175.52 176.58 3m1i h GLU 484 N 0.03 1.10 -0.40 6.66 4.81 -1.12 -2.20 114.58 123.46 3m1i h GLU 484 Ca 0.04 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 3m1i h GLU 484 Cb 0.49 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 3m1i h GLU 484 CO 0.02 0.76 0.12 0.93 -0.73 0.00 0.00 179.01 180.11 3m1i h GLU 485 N 1.12 0.62 -0.80 1.92 5.08 -1.06 -1.44 114.58 120.02 3m1i h GLU 485 Ca 0.29 -0.14 0.05 0.00 -1.00 0.00 0.00 59.36 58.57 3m1i h GLU 485 Cb -0.06 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.04 3m1i h GLU 485 CO -0.06 0.63 0.50 0.82 -1.00 0.00 0.00 179.01 179.89 3m1i h ILE 486 N 0.50 1.06 -0.05 3.13 2.04 -1.19 -1.29 117.51 121.71 3m1i h ILE 486 Ca 0.13 -0.32 -0.11 0.00 1.00 0.00 0.00 64.86 65.56 3m1i h ILE 486 Cb 0.26 0.05 0.01 0.00 -0.74 0.00 0.00 36.82 36.40 3m1i h ILE 486 CO -0.00 0.17 -0.41 0.24 0.00 0.00 0.00 178.15 178.14 3m1i h MET 487 N 0.93 0.37 -0.42 2.37 2.86 -1.27 -1.18 114.93 118.58 3m1i h MET 487 Ca 0.34 -0.33 -0.08 0.00 -2.06 0.00 0.00 59.70 57.57 3m1i h MET 487 Cb 0.12 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 3m1i h MET 487 CO -0.15 0.98 -0.09 0.82 1.06 0.00 0.00 176.91 179.54 3m1i h ILE 488 N -0.13 1.25 -0.21 -1.22 1.08 -1.27 0.28 117.51 117.29 3m1i h ILE 488 Ca -0.04 -1.11 -0.16 0.00 -0.39 0.00 0.00 64.86 63.17 3m1i h ILE 488 Cb 1.09 1.02 -0.01 0.00 -3.07 0.00 0.00 36.82 35.85 3m1i h ILE 488 CO 0.08 0.38 -0.53 -1.28 -0.69 0.00 0.00 178.15 176.11 3m1i h SER 489 N 0.67 0.67 -0.44 1.72 0.87 -1.21 -1.88 113.55 113.94 3m1i h SER 489 Ca 0.12 -0.35 -0.06 0.00 -1.23 0.00 0.00 61.79 60.27 3m1i h SER 489 Cb 0.54 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 3m1i h SER 489 CO 0.03 1.07 0.08 0.11 -0.53 0.00 0.00 176.83 177.59 3m1i h LYS 490 N 0.47 0.80 -0.34 2.24 1.57 -0.94 -2.92 116.57 117.44 3m1i h LYS 490 Ca 0.01 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 3m1i h LYS 490 Cb 1.08 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 3m1i h LYS 490 CO 0.10 0.76 0.08 1.25 -0.57 0.00 0.00 179.45 181.06 3m1i h LEU 491 N 0.76 0.52 -0.86 2.94 5.85 -0.74 -2.42 115.31 121.35 3m1i h LEU 491 Ca 0.16 -0.24 0.20 0.00 0.84 0.00 0.00 57.88 58.84 3m1i h LEU 491 Cb 0.35 -0.14 -0.12 0.00 0.37 0.00 0.00 40.66 41.13 3m1i h LEU 491 CO 0.01 0.62 0.36 0.00 -0.34 0.00 0.00 178.44 179.08 3m1i h ALA 492 N 0.92 1.32 0.00 1.25 0.00 -1.21 -1.35 119.26 120.19 3m1i h ALA 492 Ca 0.10 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3m1i h ALA 492 Cb 0.31 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3m1i h ALA 492 CO 0.00 -0.30 0.00 0.54 0.00 0.00 0.00 179.25 179.49 3m1i n ARG 493 N -5.04 0.22 -0.02 0.00 1.74 -0.94 -2.08 116.66 110.55 3m1i n ARG 493 Ca 0.20 0.35 -0.17 0.00 -0.77 0.00 0.00 57.85 57.45 3m1i n ARG 493 Cb 0.58 -1.85 -0.14 0.00 -1.02 0.00 0.00 32.46 30.04 3m1i n ARG 493 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3m1i h GLN 494 N 0.00 0.14 -0.55 5.56 1.08 -0.98 0.41 115.11 120.76 3m1i h GLN 494 Ca 0.00 -0.24 -0.00 0.00 -1.45 0.00 0.00 58.65 56.96 3m1i h GLN 494 Cb 0.50 0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.99 3m1i h GLN 494 CO 0.00 1.11 0.33 0.82 -0.95 0.00 0.00 178.83 180.14 3m1i h ILE 495 N -0.71 1.17 -0.07 2.54 1.08 -1.23 -2.83 117.51 117.46 3m1i h ILE 495 Ca -0.07 -0.39 0.00 0.00 -0.39 0.00 0.00 64.86 64.01 3m1i h ILE 495 Cb 1.30 0.43 0.00 0.00 -3.07 0.00 0.00 36.82 35.48 3m1i h ILE 495 CO 0.07 0.18 0.00 -0.90 -0.69 0.00 0.00 178.15 176.80 3m1i n ASP 496 N -4.65 1.19 0.00 1.72 5.68 -0.88 -4.91 116.55 114.71 3m1i n ASP 496 Ca 0.03 -1.51 0.00 0.00 -0.50 0.00 0.00 54.79 52.82 3m1i n ASP 496 Cb 0.06 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.00 3m1i n ASP 496 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3m1i n GLY 497 N 1.09 1.83 0.27 6.12 0.00 -1.07 -4.90 105.19 108.54 3m1i n GLY 497 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 3m1i n GLY 497 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3m1i h SER 498 N 0.00 0.54 -0.01 1.61 4.64 -1.70 -2.95 113.55 115.69 3m1i h SER 498 Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3m1i h SER 498 Cb 0.00 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 3m1i h SER 498 CO 0.00 0.62 0.00 -0.62 -0.87 0.00 0.00 176.83 175.96 3m1i n GLU 499 N -4.26 2.94 -1.67 4.77 1.02 0.09 -5.05 120.64 118.48 3m1i n GLU 499 Ca 0.02 -1.55 -0.51 0.00 -0.02 0.00 0.00 57.16 55.09 3m1i n GLU 499 Cb 0.26 -1.02 -0.06 0.00 -0.02 0.00 0.00 31.44 30.60 3m1i n GLU 499 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 3m1i n TRP 500 N -0.51 2.06 -3.58 -0.32 -0.00 -1.12 -4.81 117.44 109.16 3m1i n TRP 500 Ca 0.01 0.35 -0.08 0.00 -0.00 0.00 0.00 57.50 57.78 3m1i n TRP 500 Cb 0.27 -2.51 -0.02 0.00 -0.00 0.00 0.00 31.31 29.05 3m1i n TRP 500 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 177.69 176.15 3m1i s SER 501 N 2.54 -0.37 0.13 5.87 1.04 -1.26 -4.99 113.70 116.66 3m1i s SER 501 Ca 0.90 -0.17 -0.14 0.00 0.48 0.00 0.00 55.95 57.03 3m1i s SER 501 Cb -0.86 0.51 -0.00 0.00 0.10 0.00 0.00 66.02 65.77 3m1i s SER 501 CO 0.52 -0.88 1.60 -0.50 0.98 0.00 0.00 173.24 174.97 3m1i h TRP 502 N 2.00 0.81 -0.45 5.02 6.55 -1.99 0.18 115.95 128.08 3m1i h TRP 502 Ca -0.26 -0.13 0.09 0.00 0.95 0.00 0.00 58.89 59.55 3m1i h TRP 502 Cb 1.26 -0.22 -0.08 0.00 -0.86 0.00 0.00 29.16 29.26 3m1i h TRP 502 CO 0.30 0.78 -0.06 1.25 -1.05 0.00 0.00 178.44 179.66 3m1i h HIS 503 N 0.60 -0.14 -0.16 0.49 2.76 -1.98 -0.29 115.15 116.44 3m1i h HIS 503 Ca 0.13 0.04 -0.21 0.00 -2.20 0.00 0.00 60.37 58.12 3m1i h HIS 503 Cb 0.44 0.13 0.01 0.00 1.55 0.00 0.00 27.41 29.54 3m1i h HIS 503 CO 0.03 -0.15 -0.74 -0.91 -1.30 0.00 0.00 177.93 174.87 3m1i h ASN 504 N 0.05 0.88 0.01 3.26 2.35 -1.71 -0.50 115.58 119.91 3m1i h ASN 504 Ca 0.22 -0.56 -0.17 0.00 -0.55 0.00 0.00 56.30 55.24 3m1i h ASN 504 Cb 0.33 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 3m1i h ASN 504 CO -0.42 1.35 -0.58 -0.29 -1.65 0.00 0.00 177.43 175.84 3m1i h ILE 505 N 0.52 1.32 0.32 2.81 6.09 -0.87 -2.79 117.51 124.91 3m1i h ILE 505 Ca -0.04 -1.83 -0.02 0.00 -1.37 0.00 0.00 64.86 61.60 3m1i h ILE 505 Cb 1.35 1.80 0.00 0.00 0.47 0.00 0.00 36.82 40.45 3m1i h ILE 505 CO 0.15 0.57 -0.15 0.78 -3.07 0.00 0.00 178.15 176.43 3m1i h ASN 506 N 0.44 -0.36 -0.03 2.19 2.35 -0.93 -0.89 115.58 118.35 3m1i h ASN 506 Ca 0.00 -0.03 -0.09 0.00 -0.55 0.00 0.00 56.30 55.63 3m1i h ASN 506 Cb 1.13 0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.58 3m1i h ASN 506 CO 0.11 -0.21 -0.25 0.71 -1.65 0.00 0.00 177.43 176.14 3m1i h THR 507 N -0.49 1.26 -0.17 2.81 1.35 -1.13 -0.09 112.91 116.44 3m1i h THR 507 Ca -0.04 -1.24 -0.03 0.00 -0.55 0.00 0.00 66.41 64.55 3m1i h THR 507 Cb 0.37 1.35 -0.01 0.00 -1.73 0.00 0.00 68.15 68.14 3m1i h THR 507 CO 0.07 0.39 0.00 0.25 -0.25 0.00 0.00 175.52 175.99 3m1i h LEU 508 N 0.40 0.29 -0.89 3.87 5.85 -1.43 -1.36 115.31 122.05 3m1i h LEU 508 Ca 0.06 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 3m1i h LEU 508 Cb 0.65 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 3m1i h LEU 508 CO 0.05 0.53 0.51 0.28 -0.34 0.00 0.00 178.44 179.46 3m1i h SER 509 N 0.05 1.10 -0.42 1.25 0.02 -0.66 0.16 113.55 115.05 3m1i h SER 509 Ca 0.05 -0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 60.84 3m1i h SER 509 Cb 0.38 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 3m1i h SER 509 CO 0.01 0.87 -0.03 -0.50 -1.14 0.00 0.00 176.83 176.04 3m1i h TRP 510 N 1.24 0.83 -0.58 3.45 6.55 -0.98 0.13 115.95 126.59 3m1i h TRP 510 Ca 0.32 -0.15 -0.00 0.00 0.95 0.00 0.00 58.89 60.00 3m1i h TRP 510 Cb -0.00 -0.21 -0.03 0.00 -0.86 0.00 0.00 29.16 28.06 3m1i h TRP 510 CO 0.01 0.84 0.35 0.00 -1.05 0.00 0.00 178.44 178.58 3m1i h ALA 511 N 0.88 0.74 -0.35 1.49 0.00 -0.72 -0.25 119.26 121.06 3m1i h ALA 511 Ca 0.12 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3m1i h ALA 511 Cb 0.52 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3m1i h ALA 511 CO 0.03 0.23 0.20 0.82 0.00 0.00 0.00 179.25 180.52 3m1i h ILE 512 N 0.79 1.02 -0.64 0.00 2.04 -0.38 -2.33 117.51 118.02 3m1i h ILE 512 Ca 0.21 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 3m1i h ILE 512 Cb -0.01 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 3m1i h ILE 512 CO -0.04 0.07 0.34 1.23 0.00 0.00 0.00 178.15 179.76 3m1i h GLY 513 N 0.40 0.94 2.00 5.37 0.00 -0.85 -3.20 103.07 107.73 3m1i h GLY 513 Ca 0.14 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 47.01 3m1i h GLY 513 CO -0.07 0.40 -0.22 1.48 0.00 0.00 0.00 176.54 178.12 3m1i h SER 514 N 0.89 0.00 -0.46 0.19 4.64 -0.47 -2.81 113.55 115.52 3m1i h SER 514 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3m1i h SER 514 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3m1i h SER 514 CO -0.04 0.22 0.00 2.30 -0.87 0.00 0.00 176.83 178.45 3m1i n ILE 515 N -3.44 0.67 -1.65 0.95 -5.35 -1.13 -4.81 119.36 104.61 3m1i n ILE 515 Ca -0.00 -0.63 -0.50 0.00 -0.27 0.00 0.00 62.75 61.35 3m1i n ILE 515 Cb 0.41 0.28 -0.05 0.00 -1.74 0.00 0.00 39.64 38.53 3m1i n ILE 515 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 3m1i n SER 516 N 0.83 2.48 0.00 7.28 2.88 -1.06 -1.87 113.62 124.16 3m1i n SER 516 Ca 0.16 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.78 3m1i n SER 516 Cb 0.41 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 3m1i n SER 516 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3m1i n GLY 517 N 3.29 1.66 0.12 0.46 0.00 -1.26 -4.97 105.19 104.49 3m1i n GLY 517 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 3m1i n GLY 517 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3m1i h THR 518 N 0.00 0.00 -2.53 2.61 1.35 -1.76 -3.47 112.91 109.10 3m1i h THR 518 Ca 0.00 -0.93 -0.54 0.00 -0.55 0.00 0.00 66.41 64.39 3m1i h THR 518 Cb 0.00 1.47 -0.03 0.00 -1.73 0.00 0.00 68.15 67.86 3m1i h THR 518 CO 0.00 0.00 -0.48 -0.04 -0.25 0.00 0.00 175.52 174.75 3m1i s MET 519 N -3.33 3.32 0.94 4.72 -1.94 -1.26 -4.77 119.30 116.98 3m1i s MET 519 Ca 0.01 -0.68 -0.10 0.00 -1.71 0.00 0.00 55.69 53.21 3m1i s MET 519 Cb 0.10 -2.89 0.15 0.00 2.01 0.00 0.00 34.83 34.21 3m1i s MET 519 CO 0.77 0.50 1.11 -1.13 -0.01 0.00 0.00 175.02 176.26 3m1i n SER 520 N -0.62 0.09 -0.27 3.03 3.41 -1.26 -4.73 113.62 113.27 3m1i n SER 520 Ca -0.07 0.38 -0.02 0.00 -0.26 0.00 0.00 58.87 58.89 3m1i n SER 520 Cb 0.55 -1.45 0.16 0.00 -0.26 0.00 0.00 64.21 63.20 3m1i n SER 520 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3m1i h GLU 521 N -1.95 1.11 -0.29 4.33 4.81 -1.98 0.22 114.58 120.83 3m1i h GLU 521 Ca -0.44 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 58.66 3m1i h GLU 521 Cb 1.27 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 3m1i h GLU 521 CO 0.41 0.80 0.15 -0.44 -0.73 0.00 0.00 179.01 179.20 3m1i h ASP 522 N 1.12 0.37 -0.36 1.04 3.32 -2.00 -1.10 116.42 118.82 3m1i h ASP 522 Ca 0.28 -0.11 -0.16 0.00 0.02 0.00 0.00 57.03 57.06 3m1i h ASP 522 Cb 0.01 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 3m1i h ASP 522 CO -0.05 0.38 -0.42 0.74 -1.72 0.00 0.00 179.24 178.17 3m1i h THR 523 N 0.34 1.27 -0.82 0.35 2.02 -1.81 -3.01 112.91 111.26 3m1i h THR 523 Ca 0.10 -1.60 -0.03 0.00 0.77 0.00 0.00 66.41 65.65 3m1i h THR 523 Cb 0.10 1.46 -0.04 0.00 -1.74 0.00 0.00 68.15 67.93 3m1i h THR 523 CO -0.01 0.53 0.39 -0.08 0.37 0.00 0.00 175.52 176.72 3m1i h GLU 524 N 0.72 1.18 0.23 6.66 4.81 -0.48 0.44 114.58 128.13 3m1i h GLU 524 Ca 0.05 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 3m1i h GLU 524 Cb 1.02 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.19 3m1i h GLU 524 CO 0.10 0.90 -0.11 -0.22 -0.73 0.00 0.00 179.01 178.96 3m1i h LYS 525 N 1.17 -0.29 -0.37 1.92 3.64 -1.13 0.19 116.57 121.69 3m1i h LYS 525 Ca 0.28 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.71 3m1i h LYS 525 Cb 0.11 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 3m1i h LYS 525 CO -0.04 -0.16 0.17 0.00 -2.27 0.00 0.00 179.45 177.15 3m1i h ARG 526 N -0.35 0.34 0.28 1.90 3.08 -1.36 -2.00 114.38 116.27 3m1i h ARG 526 Ca -0.03 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3m1i h ARG 526 Cb 0.27 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3m1i h ARG 526 CO 0.05 0.23 -0.13 0.35 -1.07 0.00 0.00 179.97 179.39 3m1i h PHE 527 N 0.35 -0.35 -0.65 3.04 3.57 -0.53 -2.47 116.94 119.91 3m1i h PHE 527 Ca 0.16 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 3m1i h PHE 527 Cb 0.09 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 3m1i h PHE 527 CO -0.11 -0.14 0.32 0.28 -2.23 0.00 0.00 178.31 176.43 3m1i h VAL 528 N -0.48 1.21 -0.23 1.41 2.07 -0.63 -1.15 116.25 118.45 3m1i h VAL 528 Ca -0.04 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 3m1i h VAL 528 Cb 0.36 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3m1i h VAL 528 CO 0.06 0.25 0.12 0.58 0.02 0.00 0.00 177.57 178.60 3m1i h VAL 529 N 0.92 1.11 -0.00 2.57 2.07 -1.33 0.23 116.25 121.83 3m1i h VAL 529 Ca 0.23 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 3m1i h VAL 529 Cb 0.09 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3m1i h VAL 529 CO -0.03 0.11 0.00 0.74 0.02 0.00 0.00 177.57 178.41 3m1i h THR 530 N 0.26 1.03 -0.10 2.57 2.02 -1.12 -1.78 112.91 115.79 3m1i h THR 530 Ca 0.08 -0.08 0.02 0.00 0.77 0.00 0.00 66.41 67.20 3m1i h THR 530 Cb 0.07 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 3m1i h THR 530 CO -0.01 0.02 -0.00 0.58 0.37 0.00 0.00 175.52 176.47 3m1i h VAL 531 N -0.03 0.92 -0.61 3.16 2.07 -1.04 -1.20 116.25 119.52 3m1i h VAL 531 Ca 0.00 -0.01 -0.08 0.00 0.82 0.00 0.00 66.70 67.43 3m1i h VAL 531 Cb 0.03 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3m1i h VAL 531 CO -0.00 0.01 0.06 0.40 0.02 0.00 0.00 177.57 178.05 3m1i h ILE 532 N 0.03 1.26 -0.54 4.57 1.08 -0.87 0.04 117.51 123.07 3m1i h ILE 532 Ca 0.05 -1.06 -0.08 0.00 -0.39 0.00 0.00 64.86 63.38 3m1i h ILE 532 Cb 0.06 0.73 -0.02 0.00 -3.07 0.00 0.00 36.82 34.51 3m1i h ILE 532 CO -0.09 0.39 0.03 0.50 -0.69 0.00 0.00 178.15 178.29 3m1i h LYS 533 N 0.95 0.91 -0.27 2.37 3.64 -1.28 -0.59 116.57 122.30 3m1i h LYS 533 Ca 0.18 -0.25 -0.09 0.00 -1.27 0.00 0.00 60.65 59.22 3m1i h LYS 533 Cb 0.47 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3m1i h LYS 533 CO 0.02 0.89 -0.18 -0.44 -2.27 0.00 0.00 179.45 177.47 3m1i h ASP 534 N 0.85 0.62 -0.70 4.20 3.45 -0.80 -1.56 116.42 122.48 3m1i h ASP 534 Ca 0.16 -0.43 -0.03 0.00 0.43 0.00 0.00 57.03 57.16 3m1i h ASP 534 Cb 0.47 -0.17 -0.03 0.00 -0.56 0.00 0.00 39.33 39.03 3m1i h ASP 534 CO 0.02 0.92 0.34 -0.07 -1.57 0.00 0.00 179.24 178.87 3m1i h LEU 535 N 0.32 0.93 -0.88 1.55 3.38 -0.85 -2.11 115.31 117.65 3m1i h LEU 535 Ca 0.05 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.94 3m1i h LEU 535 Cb 0.71 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 3m1i h LEU 535 CO 0.05 0.79 0.58 -0.07 0.09 0.00 0.00 178.44 179.87 3m1i h LEU 536 N 1.02 0.97 -0.93 1.67 3.38 -1.04 -2.20 115.31 118.18 3m1i h LEU 536 Ca 0.25 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3m1i h LEU 536 Cb 0.11 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3m1i h LEU 536 CO -0.03 0.68 -0.05 -2.24 0.09 0.00 0.00 178.44 176.89 3m1i h ASP 537 N 1.14 0.00 -0.36 -0.43 -0.00 -0.89 -3.03 116.42 112.85 3m1i h ASP 537 Ca 0.34 0.00 -0.14 0.00 -0.00 0.00 0.00 57.03 57.24 3m1i h ASP 537 Cb -0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.27 3m1i h ASP 537 CO -0.10 0.05 -0.30 -0.07 -0.00 0.00 0.00 179.24 178.82 3m1i h LEU 538 N 0.00 0.89 -0.04 0.15 3.38 -0.86 -2.27 115.31 116.56 3m1i h LEU 538 Ca -0.00 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3m1i h LEU 538 Cb 0.72 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3m1i h LEU 538 CO 0.01 1.16 0.00 0.35 0.09 0.00 0.00 178.44 180.04 3m1i n THR 539 N -4.17 0.00 -0.04 0.22 -2.24 -0.88 -3.13 114.28 104.05 3m1i n THR 539 Ca -0.02 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.68 3m1i n THR 539 Cb 0.49 -0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 68.36 3m1i n THR 539 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3m1i n VAL 540 N -0.47 1.15 -0.71 2.28 0.31 -0.87 -4.92 118.33 115.11 3m1i n VAL 540 Ca 0.00 0.12 -0.30 0.00 -0.01 0.00 0.00 64.34 64.15 3m1i n VAL 540 Cb 0.00 -1.86 0.26 0.00 -0.91 0.00 0.00 33.84 31.33 3m1i n VAL 540 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3m1i s LYS 541 N -2.37 -1.68 -0.53 5.55 3.01 -1.14 -4.60 119.74 117.98 3m1i s LYS 541 Ca -0.16 0.25 -0.05 0.00 -1.01 0.00 0.00 55.97 55.00 3m1i s LYS 541 Cb 0.04 -1.51 0.01 0.00 -1.01 0.00 0.00 37.83 35.35 3m1i s LYS 541 CO 0.22 -4.08 0.56 1.63 0.51 0.00 0.00 175.35 174.19 3m1i n LYS 542 N -5.08 -1.47 -2.33 1.68 4.76 -1.25 -4.78 118.16 109.68 3m1i n LYS 542 Ca 0.10 1.56 -0.24 0.00 -2.87 0.00 0.00 58.31 56.85 3m1i n LYS 542 Cb 0.58 -5.12 0.06 0.00 -1.84 0.00 0.00 35.03 28.72 3m1i n LYS 542 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3m1i s ARG 543 N -2.76 2.22 0.00 1.97 0.52 -1.26 -4.41 118.95 115.23 3m1i s ARG 543 Ca 0.08 -0.44 0.00 0.00 -0.52 0.00 0.00 55.73 54.85 3m1i s ARG 543 Cb -0.02 -2.25 0.00 0.00 0.52 0.00 0.00 34.95 33.19 3m1i s ARG 543 CO 0.65 -1.14 0.00 0.41 0.02 0.00 0.00 175.30 175.24 3m1i n GLY 544 N -2.78 2.23 0.27 -3.53 0.00 -1.26 -4.45 105.19 95.67 3m1i n GLY 544 Ca 0.09 -1.69 0.04 0.00 0.00 0.00 0.00 46.02 44.46 3m1i n GLY 544 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3m1i h LYS 545 N 0.00 0.45 0.18 1.61 2.10 -1.99 -1.87 116.57 117.05 3m1i h LYS 545 Ca 0.00 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.61 3m1i h LYS 545 Cb 0.00 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 31.23 3m1i h LYS 545 CO 0.00 0.30 -0.08 -0.44 -2.00 0.00 0.00 179.45 177.22 3m1i h ASP 546 N 0.47 -0.20 -0.91 7.07 3.32 -1.93 -1.62 116.42 122.61 3m1i h ASP 546 Ca 0.39 -0.18 0.01 0.00 0.02 0.00 0.00 57.03 57.26 3m1i h ASP 546 Cb 0.55 0.05 -0.05 0.00 0.22 0.00 0.00 39.33 40.10 3m1i h ASP 546 CO -0.37 0.08 0.60 0.78 -1.72 0.00 0.00 179.24 178.61 3m1i h ASN 547 N -0.48 1.06 -0.02 6.45 2.35 -1.71 -1.75 115.58 121.47 3m1i h ASN 547 Ca -0.02 -0.03 -0.15 0.00 -0.55 0.00 0.00 56.30 55.54 3m1i h ASN 547 Cb 0.37 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 3m1i h ASN 547 CO 0.04 0.77 -0.49 0.11 -1.65 0.00 0.00 177.43 176.21 3m1i h LYS 548 N 1.24 0.58 -0.40 0.81 6.56 -1.16 -2.00 116.57 122.20 3m1i h LYS 548 Ca 0.33 -0.33 -0.06 0.00 -1.06 0.00 0.00 60.65 59.53 3m1i h LYS 548 Cb -0.14 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.54 3m1i h LYS 548 CO -0.07 0.94 0.02 0.00 -2.06 0.00 0.00 179.45 178.28 3m1i h ALA 549 N 1.00 0.54 0.05 3.86 0.00 -0.94 -2.15 119.26 121.62 3m1i h ALA 549 Ca 0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 3m1i h ALA 549 Cb 1.02 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3m1i h ALA 549 CO 0.09 0.30 -0.02 0.28 0.00 0.00 0.00 179.25 179.90 3m1i h VAL 550 N 0.54 0.99 -0.37 0.00 2.07 -1.13 -1.10 116.25 117.24 3m1i h VAL 550 Ca 0.12 -0.13 -0.14 0.00 0.82 0.00 0.00 66.70 67.37 3m1i h VAL 550 Cb 0.44 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3m1i h VAL 550 CO 0.02 0.03 -0.32 0.58 0.02 0.00 0.00 177.57 177.90 3m1i h VAL 551 N -0.13 1.28 -0.63 2.57 2.07 -1.37 -2.19 116.25 117.85 3m1i h VAL 551 Ca -0.01 -1.48 -0.01 0.00 0.82 0.00 0.00 66.70 66.03 3m1i h VAL 551 Cb 0.11 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 3m1i h VAL 551 CO 0.01 0.49 0.37 0.00 0.02 0.00 0.00 177.57 178.46 3m1i h ALA 552 N 0.94 0.80 -0.86 1.67 0.00 -1.28 0.10 119.26 120.63 3m1i h ALA 552 Ca 0.07 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3m1i h ALA 552 Cb 0.87 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 3m1i h ALA 552 CO 0.08 0.29 0.53 0.66 0.00 0.00 0.00 179.25 180.80 3m1i h SER 553 N 0.85 0.83 -0.11 0.00 4.64 -0.93 -0.90 113.55 117.93 3m1i h SER 553 Ca 0.22 0.02 -0.16 0.00 -0.47 0.00 0.00 61.79 61.40 3m1i h SER 553 Cb -0.01 -0.15 0.01 0.00 -0.31 0.00 0.00 62.40 61.94 3m1i h SER 553 CO -0.04 0.52 -0.57 0.44 -0.87 0.00 0.00 176.83 176.31 3m1i h ASP 554 N 0.96 0.69 -0.63 4.97 3.32 -0.73 0.89 116.42 125.89 3m1i h ASP 554 Ca 0.38 -0.64 0.02 0.00 0.02 0.00 0.00 57.03 56.81 3m1i h ASP 554 Cb 0.19 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 3m1i h ASP 554 CO -0.18 1.22 0.39 0.40 -1.72 0.00 0.00 179.24 179.36 3m1i h ILE 555 N 0.20 1.09 -0.53 0.35 2.04 -0.69 -1.91 117.51 118.07 3m1i h ILE 555 Ca -0.04 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 3m1i h ILE 555 Cb 1.22 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 3m1i h ILE 555 CO 0.12 0.14 0.16 0.24 0.00 0.00 0.00 178.15 178.81 3m1i h MET 556 N 0.78 0.82 -0.56 2.37 2.86 -1.02 -0.30 114.93 119.88 3m1i h MET 556 Ca 0.25 -0.18 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 3m1i h MET 556 Cb -0.00 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.51 3m1i h MET 556 CO -0.09 0.76 0.36 -0.92 1.06 0.00 0.00 176.91 178.07 3m1i h TYR 557 N 0.73 0.68 -0.29 -0.22 3.20 -0.63 -1.81 116.97 118.62 3m1i h TYR 557 Ca 0.17 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.98 3m1i h TYR 557 Cb 0.28 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 3m1i h TYR 557 CO 0.02 0.41 -0.13 0.28 -1.64 0.00 0.00 178.16 177.10 3m1i h VAL 558 N 0.72 1.29 -0.47 1.81 2.07 -0.93 -2.84 116.25 117.90 3m1i h VAL 558 Ca 0.21 -1.21 -0.11 0.00 0.82 0.00 0.00 66.70 66.42 3m1i h VAL 558 Cb -0.05 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 3m1i h VAL 558 CO -0.06 0.38 -0.13 1.62 0.02 0.00 0.00 177.57 179.40 3m1i h VAL 559 N 0.35 1.26 0.00 2.57 3.04 -0.97 -1.66 116.25 120.84 3m1i h VAL 559 Ca 0.07 -1.25 -0.01 0.00 -1.01 0.00 0.00 66.70 64.50 3m1i h VAL 559 Cb 0.64 1.04 -0.00 0.00 -2.01 0.00 0.00 31.29 30.96 3m1i h VAL 559 CO 0.04 0.43 -0.03 1.23 -1.01 0.00 0.00 177.57 178.23 3m1i h GLY 560 N 0.96 0.00 0.91 3.17 0.00 -1.25 -2.58 103.07 104.28 3m1i h GLY 560 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 3m1i h GLY 560 CO 0.05 0.00 -0.36 -1.06 0.00 0.00 0.00 176.54 175.17 3m1i n GLN 561 N -3.31 0.25 -2.69 4.80 1.13 -0.63 -4.42 117.38 112.50 3m1i n GLN 561 Ca -0.02 -0.13 -0.26 0.00 -1.94 0.00 0.00 57.00 54.64 3m1i n GLN 561 Cb 0.17 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.00 3m1i n GLN 561 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3m1i n TYR 562 N -1.26 3.60 0.13 1.08 4.01 -0.97 -4.75 117.16 119.00 3m1i n TYR 562 Ca 0.08 -3.50 0.04 0.00 -0.16 0.00 0.00 57.90 54.36 3m1i n TYR 562 Cb 0.33 -0.27 0.47 0.00 -0.31 0.00 0.00 39.34 39.57 3m1i n TYR 562 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3m1i h PRO 563 N 2.77 0.24 -0.48 -0.72 0.13 -1.77 -2.32 132.00 129.84 3m1i h PRO 563 Ca 0.22 -0.03 0.08 0.00 -0.87 0.00 0.00 66.00 65.39 3m1i h PRO 563 Cb 0.75 -0.04 -0.06 0.00 0.13 0.00 0.00 31.00 31.77 3m1i h PRO 563 CO 0.82 0.26 0.12 -0.09 -0.23 0.00 0.00 178.00 178.88 3m1i h ARG 564 N 0.24 0.25 -0.19 0.86 2.43 -1.96 -0.01 114.38 115.99 3m1i h ARG 564 Ca 0.06 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3m1i h ARG 564 Cb 0.17 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 3m1i h ARG 564 CO 0.00 0.17 0.10 0.35 -1.51 0.00 0.00 179.97 179.08 3m1i h PHE 565 N 0.26 0.26 -0.87 2.20 3.57 -1.85 -3.01 116.94 117.50 3m1i h PHE 565 Ca 0.24 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.75 3m1i h PHE 565 Cb 0.30 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.91 3m1i h PHE 565 CO -0.21 0.24 0.57 -0.07 -2.23 0.00 0.00 178.31 176.62 3m1i h LEU 566 N 0.20 0.98 -1.31 0.59 3.38 -1.02 -1.94 115.31 116.20 3m1i h LEU 566 Ca 0.07 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3m1i h LEU 566 Cb 0.06 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3m1i h LEU 566 CO -0.01 0.70 -0.09 0.11 0.09 0.00 0.00 178.44 179.24 3m1i h LYS 567 N 1.16 0.35 0.00 1.13 1.57 -0.98 -2.32 116.57 117.48 3m1i h LYS 567 Ca 0.33 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3m1i h LYS 567 Cb -0.10 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.16 3m1i h LYS 567 CO -0.08 0.45 -0.29 0.00 -0.57 0.00 0.00 179.45 178.97 3m1i n ALA 568 N -2.49 2.79 -3.71 3.86 0.00 -0.80 -4.58 120.51 115.59 3m1i n ALA 568 Ca 0.00 -0.19 -0.28 0.00 0.00 0.00 0.00 53.44 52.97 3m1i n ALA 568 Cb 0.27 -1.30 -0.12 0.00 0.00 0.00 0.00 19.45 18.30 3m1i n ALA 568 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3m1i s HIS 569 N -3.06 2.56 0.23 0.00 3.76 -0.80 -4.99 115.29 112.98 3m1i s HIS 569 Ca 0.11 -2.90 -0.07 0.00 -0.15 0.00 0.00 55.06 52.05 3m1i s HIS 569 Cb 0.16 -2.02 0.28 0.00 1.11 0.00 0.00 32.58 32.11 3m1i s HIS 569 CO 0.64 -0.67 1.84 2.35 -0.85 0.00 0.00 174.74 178.05 3m1i h TRP 570 N 5.65 0.89 -0.69 1.40 2.91 -1.81 0.95 115.95 125.25 3m1i h TRP 570 Ca 0.16 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.20 3m1i h TRP 570 Cb 0.83 -0.29 -0.03 0.00 -0.51 0.00 0.00 29.16 29.16 3m1i h TRP 570 CO 0.52 0.46 0.40 -0.91 -1.03 0.00 0.00 178.44 177.88 3m1i h ASN 571 N 0.89 0.84 -0.06 2.65 2.35 -1.94 0.22 115.58 120.53 3m1i h ASN 571 Ca 0.34 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 56.02 3m1i h ASN 571 Cb 0.14 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 3m1i h ASN 571 CO -0.16 0.66 -0.02 -0.26 -1.65 0.00 0.00 177.43 176.00 3m1i h PHE 572 N 0.96 0.14 -0.31 1.19 0.04 -1.24 -2.22 116.94 115.50 3m1i h PHE 572 Ca 0.25 -0.03 0.05 0.00 2.80 0.00 0.00 57.97 61.04 3m1i h PHE 572 Cb -0.00 -0.03 -0.05 0.00 2.20 0.00 0.00 35.95 38.07 3m1i h PHE 572 CO 0.00 0.47 0.00 1.25 -0.60 0.00 0.00 178.31 179.44 3m1i h LEU 573 N -0.23 -0.11 -0.01 1.54 5.85 -0.53 0.24 115.31 122.05 3m1i h LEU 573 Ca 0.01 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3m1i h LEU 573 Cb 0.43 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 3m1i h LEU 573 CO 0.01 -0.02 -0.05 -0.09 -0.34 0.00 0.00 178.44 177.94 3m1i h ARG 574 N 0.10 -0.08 -0.61 1.25 2.43 -0.62 0.36 114.38 117.21 3m1i h ARG 574 Ca 0.15 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.40 3m1i h ARG 574 Cb 0.20 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.70 3m1i h ARG 574 CO -0.24 -0.05 0.28 1.15 -1.51 0.00 0.00 179.97 179.60 3m1i h THR 575 N -0.08 0.86 -0.17 0.20 2.02 -1.12 -1.66 112.91 112.95 3m1i h THR 575 Ca 0.03 -0.18 0.02 0.00 0.77 0.00 0.00 66.41 67.05 3m1i h THR 575 Cb 0.12 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 3m1i h THR 575 CO -0.06 0.09 0.04 0.58 0.37 0.00 0.00 175.52 176.55 3m1i h VAL 576 N 0.51 0.94 -0.50 3.16 2.07 0.26 -1.15 116.25 121.54 3m1i h VAL 576 Ca 0.30 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.76 3m1i h VAL 576 Cb 0.29 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3m1i h VAL 576 CO -0.24 0.02 0.26 0.40 0.02 0.00 0.00 177.57 178.03 3m1i h ILE 577 N 0.12 1.18 -0.95 4.57 1.08 -0.60 -0.84 117.51 122.07 3m1i h ILE 577 Ca 0.08 -0.48 0.10 0.00 -0.39 0.00 0.00 64.86 64.16 3m1i h ILE 577 Cb 0.06 0.59 -0.07 0.00 -3.07 0.00 0.00 36.82 34.33 3m1i h ILE 577 CO -0.09 0.20 0.61 -0.07 -0.69 0.00 0.00 178.15 178.10 3m1i h LEU 578 N 0.66 0.88 -0.55 1.44 3.38 -1.25 0.16 115.31 120.03 3m1i h LEU 578 Ca 0.17 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.07 3m1i h LEU 578 Cb 0.08 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3m1i h LEU 578 CO -0.03 0.51 -0.07 0.11 0.09 0.00 0.00 178.44 179.06 3m1i h LYS 579 N 0.97 1.01 -0.65 1.13 1.79 -0.28 -1.03 116.57 119.51 3m1i h LYS 579 Ca 0.44 -0.36 0.07 0.00 -2.18 0.00 0.00 60.65 58.62 3m1i h LYS 579 Cb 0.40 -0.07 -0.06 0.00 -1.58 0.00 0.00 32.23 30.92 3m1i h LYS 579 CO -0.20 1.04 0.34 -0.07 -1.08 0.00 0.00 179.45 179.48 3m1i h LEU 580 N 0.89 0.48 -1.02 2.94 3.38 -0.39 -0.64 115.31 120.94 3m1i h LEU 580 Ca 0.15 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 3m1i h LEU 580 Cb 0.63 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 3m1i h LEU 580 CO 0.04 0.30 0.09 -0.26 0.09 0.00 0.00 178.44 178.70 3m1i h PHE 581 N 0.62 0.83 -0.23 1.13 0.04 -0.40 0.11 116.94 119.04 3m1i h PHE 581 Ca 0.30 -0.09 0.04 0.00 2.80 0.00 0.00 57.97 61.03 3m1i h PHE 581 Cb 0.24 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 38.11 3m1i h PHE 581 CO -0.10 0.72 -0.02 1.49 -0.60 0.00 0.00 178.31 179.80 3m1i h GLU 582 N 0.76 0.04 0.00 1.51 4.81 -0.91 -2.61 114.58 118.18 3m1i h GLU 582 Ca 0.16 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 3m1i h GLU 582 Cb 0.33 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 3m1i h GLU 582 CO 0.00 0.03 -0.08 0.74 -0.73 0.00 0.00 179.01 178.97 3m1i h PHE 583 N 0.05 0.00 0.00 0.92 0.04 0.18 -0.72 116.94 117.40 3m1i h PHE 583 Ca 0.11 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.88 3m1i h PHE 583 Cb 0.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.30 3m1i h PHE 583 CO -0.21 0.08 0.00 0.52 -0.60 0.00 0.00 178.31 178.11 3m1i h MET 584 N 0.00 0.00 -0.01 1.51 2.86 -0.63 -2.41 114.93 116.25 3m1i h MET 584 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3m1i h MET 584 Cb 0.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.83 3m1i h MET 584 CO 0.01 0.00 -0.39 0.72 1.06 0.00 0.00 176.91 178.31 3m1i n HIS 585 N -2.43 0.00 -1.94 -0.22 8.25 -0.28 -4.43 115.22 114.17 3m1i n HIS 585 Ca -0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 3m1i n HIS 585 Cb 0.14 -0.07 0.03 0.00 1.12 0.00 0.00 29.99 31.22 3m1i n HIS 585 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 3m1i s GLU 586 N -2.53 3.10 0.00 -0.41 2.56 -0.91 -4.93 118.70 115.59 3m1i s GLU 586 Ca 0.21 1.99 0.28 0.00 0.00 0.00 0.00 54.97 57.44 3m1i s GLU 586 Cb 0.19 -2.11 1.02 0.00 2.00 0.00 0.00 34.13 35.23 3m1i s GLU 586 CO 0.56 -1.15 1.76 0.25 -0.56 0.00 0.00 175.26 176.12 3m1i n THR 587 N -1.26 0.00 -2.71 -1.70 -2.24 -1.26 -4.78 114.28 100.32 3m1i n THR 587 Ca 0.12 -0.02 -0.43 0.00 -2.27 0.00 0.00 64.05 61.45 3m1i n THR 587 Cb 0.48 -0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.53 3m1i n THR 587 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3m1i s HIS 588 N -2.82 3.34 0.24 4.78 5.04 -1.26 -4.95 115.29 119.66 3m1i s HIS 588 Ca 0.18 1.40 -0.03 0.00 -1.54 0.00 0.00 55.06 55.08 3m1i s HIS 588 Cb 0.19 -3.22 0.26 0.00 0.04 0.00 0.00 32.58 29.85 3m1i s HIS 588 CO 0.56 -0.45 1.68 1.05 -2.34 0.00 0.00 174.74 175.24 3m1i h GLU 589 N 7.48 0.73 -0.50 2.88 9.09 -1.99 -1.80 114.58 130.47 3m1i h GLU 589 Ca -0.20 -0.26 0.09 0.00 0.05 0.00 0.00 59.36 59.03 3m1i h GLU 589 Cb 1.07 -0.05 -0.08 0.00 -1.65 0.00 0.00 28.75 28.04 3m1i h GLU 589 CO 0.95 0.85 0.04 0.78 0.05 0.00 0.00 179.01 181.69 3m1i h GLY 590 N 0.98 0.55 1.01 1.06 0.00 -1.92 0.32 103.07 105.06 3m1i h GLY 590 Ca 0.10 0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.41 3m1i h GLY 590 CO 0.05 -0.11 0.17 -2.08 0.00 0.00 0.00 176.54 174.56 3m1i h VAL 591 N 0.16 1.24 -0.52 4.60 2.07 -1.78 0.52 116.25 122.54 3m1i h VAL 591 Ca 0.25 -0.85 -0.12 0.00 0.82 0.00 0.00 66.70 66.80 3m1i h VAL 591 Cb 0.36 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3m1i h VAL 591 CO -0.38 0.32 -0.15 1.56 0.02 0.00 0.00 177.57 178.94 3m1i h GLN 592 N 0.84 1.02 -0.35 1.57 4.20 -1.01 0.30 115.11 121.68 3m1i h GLN 592 Ca 0.19 -0.40 -0.02 0.00 0.06 0.00 0.00 58.65 58.48 3m1i h GLN 592 Cb 0.31 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 3m1i h GLN 592 CO -0.00 1.09 0.15 -0.44 -0.67 0.00 0.00 178.83 178.95 3m1i h ASP 593 N 0.90 0.47 -0.31 1.46 3.32 -0.01 -2.55 116.42 119.70 3m1i h ASP 593 Ca 0.13 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 3m1i h ASP 593 Cb 0.73 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 3m1i h ASP 593 CO 0.06 0.49 -0.03 -0.03 -1.72 0.00 0.00 179.24 178.01 3m1i h MET 594 N 0.42 0.68 -0.59 3.56 4.05 -0.68 -1.92 114.93 120.45 3m1i h MET 594 Ca 0.12 -0.18 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 3m1i h MET 594 Cb 0.16 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 30.85 3m1i h MET 594 CO -0.01 0.72 0.38 0.00 0.23 0.00 0.00 176.91 178.23 3m1i h ALA 595 N 1.33 0.75 -0.49 0.39 0.00 -0.70 0.53 119.26 121.06 3m1i h ALA 595 Ca 0.12 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3m1i h ALA 595 Cb 0.44 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3m1i h ALA 595 CO 0.02 0.20 -0.02 0.00 0.00 0.00 0.00 179.25 179.45 3m1i h ASP 597 N 0.74 0.75 -0.32 0.00 3.32 -1.11 -2.09 116.42 117.72 3m1i h ASP 597 Ca 0.14 -0.22 -0.11 0.00 0.02 0.00 0.00 57.03 56.85 3m1i h ASP 597 Cb 0.55 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 3m1i h ASP 597 CO 0.03 0.89 -0.21 0.74 -1.72 0.00 0.00 179.24 178.97 3m1i h THR 598 N 0.69 1.27 -0.03 0.35 2.02 -0.85 -0.51 112.91 115.86 3m1i h THR 598 Ca 0.12 -1.32 0.03 0.00 0.77 0.00 0.00 66.41 66.01 3m1i h THR 598 Cb 0.58 1.18 -0.04 0.00 -1.74 0.00 0.00 68.15 68.14 3m1i h THR 598 CO 0.04 0.44 -0.17 0.15 0.37 0.00 0.00 175.52 176.35 3m1i h PHE 599 N 0.69 -0.43 -0.30 3.16 3.57 -1.07 0.23 116.94 122.80 3m1i h PHE 599 Ca 0.10 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.67 3m1i h PHE 599 Cb 0.72 0.20 -0.06 0.00 2.79 0.00 0.00 35.95 39.60 3m1i h PHE 599 CO 0.04 -0.24 -0.07 0.82 -2.23 0.00 0.00 178.31 176.63 3m1i h ILE 600 N -0.26 0.71 -0.88 1.41 1.08 -1.22 -0.67 117.51 117.67 3m1i h ILE 600 Ca 0.06 -0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.51 3m1i h ILE 600 Cb 0.34 0.70 -0.04 0.00 -3.07 0.00 0.00 36.82 34.75 3m1i h ILE 600 CO -0.18 0.00 0.46 0.50 -0.69 0.00 0.00 178.15 178.25 3m1i h LYS 601 N 0.01 1.24 -0.22 2.37 3.64 -0.42 -0.61 116.57 122.57 3m1i h LYS 601 Ca 0.14 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 3m1i h LYS 601 Cb 0.22 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3m1i h LYS 601 CO -0.30 0.92 0.02 0.82 -2.27 0.00 0.00 179.45 178.64 3m1i h ILE 602 N 1.24 1.24 -0.01 2.00 2.04 -0.29 -3.27 117.51 120.46 3m1i h ILE 602 Ca 0.31 -0.80 -0.11 0.00 1.00 0.00 0.00 64.86 65.26 3m1i h ILE 602 Cb 0.06 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 3m1i h ILE 602 CO -0.05 0.25 -0.51 -0.37 0.00 0.00 0.00 178.15 177.48 3m1i h VAL 603 N 0.16 1.36 -0.78 1.67 -1.51 -0.87 -0.22 116.25 116.06 3m1i h VAL 603 Ca 0.07 -1.74 0.14 0.00 -1.23 0.00 0.00 66.70 63.94 3m1i h VAL 603 Cb 0.35 1.93 -0.05 0.00 -2.13 0.00 0.00 31.29 31.38 3m1i h VAL 603 CO 0.01 0.50 0.52 1.56 -1.23 0.00 0.00 177.57 178.92 3m1i h GLN 604 N 0.02 0.48 0.00 5.19 4.20 -1.16 -0.70 115.11 123.14 3m1i h GLN 604 Ca -0.00 -0.03 -0.19 0.00 0.06 0.00 0.00 58.65 58.48 3m1i h GLN 604 Cb 0.90 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.54 3m1i h GLN 604 CO 0.07 0.32 -1.90 1.63 -0.67 0.00 0.00 178.83 178.28 3m1i n LYS 605 N -4.50 0.65 -0.06 1.46 4.76 -0.87 -4.62 118.16 114.98 3m1i n LYS 605 Ca 0.15 0.03 0.03 0.00 -2.87 0.00 0.00 58.31 55.65 3m1i n LYS 605 Cb 0.50 -1.64 0.06 0.00 -1.84 0.00 0.00 35.03 32.12 3m1i n LYS 605 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3m1i h LYS 607 N 1.14 0.47 -0.89 0.00 2.10 -1.36 -0.41 116.57 117.62 3m1i h LYS 607 Ca 0.00 -0.03 0.22 0.00 -2.00 0.00 0.00 60.65 58.84 3m1i h LYS 607 Cb 0.50 -0.11 -0.12 0.00 -0.90 0.00 0.00 32.23 31.60 3m1i h LYS 607 CO 0.00 0.31 0.39 -0.92 -2.00 0.00 0.00 179.45 177.23 3m1i h TYR 608 N 0.49 0.64 0.00 0.07 3.20 -1.86 -0.99 116.97 118.51 3m1i h TYR 608 Ca 0.25 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.16 3m1i h TYR 608 Cb 0.36 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.49 3m1i h TYR 608 CO -0.00 -0.04 0.00 0.72 -1.64 0.00 0.00 178.16 177.20 3m1i n HIS 609 N -5.04 0.00 0.04 -3.82 8.25 -0.16 -2.20 115.22 112.28 3m1i n HIS 609 Ca 0.22 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.74 3m1i n HIS 609 Cb 0.64 -0.43 -0.08 0.00 1.12 0.00 0.00 29.99 31.24 3m1i n HIS 609 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3m1i n PHE 610 N -1.43 0.65 -0.05 4.41 3.01 -0.39 -4.48 117.46 119.18 3m1i n PHE 610 Ca 0.06 0.20 -0.11 0.00 1.01 0.00 0.00 57.45 58.61 3m1i n PHE 610 Cb 0.19 -0.89 -0.15 0.00 -0.01 0.00 0.00 39.48 38.62 3m1i n PHE 610 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3m1i n VAL 611 N -2.64 1.54 -1.87 -4.37 0.31 -0.94 -2.05 118.33 108.32 3m1i n VAL 611 Ca -0.07 -0.79 -0.31 0.00 -0.01 0.00 0.00 64.34 63.17 3m1i n VAL 611 Cb 0.70 -0.93 0.02 0.00 -0.91 0.00 0.00 33.84 32.72 3m1i n VAL 611 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 3m1i s ILE 612 N -2.55 4.29 -0.20 2.52 -4.36 -1.07 -4.69 121.20 115.13 3m1i s ILE 612 Ca -0.11 0.74 -0.19 0.00 -0.26 0.00 0.00 60.65 60.84 3m1i s ILE 612 Cb 0.07 -3.73 -0.03 0.00 1.25 0.00 0.00 42.46 40.03 3m1i s ILE 612 CO 0.80 -0.97 0.55 -1.58 0.24 0.00 0.00 174.94 173.99 3m1i s GLN 613 N -5.24 4.20 0.55 0.37 0.74 -1.26 -4.24 119.66 114.78 3m1i s GLN 613 Ca 0.56 0.47 -0.08 0.00 0.05 0.00 0.00 55.36 56.37 3m1i s GLN 613 Cb -0.11 -3.57 -0.04 0.00 1.10 0.00 0.00 33.01 30.39 3m1i s GLN 613 CO 0.53 -0.18 0.91 -0.65 -0.55 0.00 0.00 175.29 175.35 3m1i s GLN 614 N 1.73 3.55 0.34 1.67 -1.52 -1.26 -4.98 119.66 119.19 3m1i s GLN 614 Ca 0.25 0.46 -0.29 0.00 -1.95 0.00 0.00 55.36 53.84 3m1i s GLN 614 Cb -0.16 -2.23 -0.11 0.00 -0.22 0.00 0.00 33.01 30.30 3m1i s GLN 614 CO 0.10 -0.39 1.37 -2.14 -0.25 0.00 0.00 175.29 173.98 3m1i s PRO 615 N -4.96 4.27 0.00 2.91 0.02 -1.26 -2.59 135.00 133.39 3m1i s PRO 615 Ca 0.51 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.87 3m1i s PRO 615 Cb -0.11 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.38 3m1i s PRO 615 CO 0.49 -0.31 0.00 2.89 -0.33 0.00 0.00 177.00 179.74 3m1i n ARG 616 N 0.75 0.00 -4.18 5.54 -4.01 -1.26 -5.01 116.66 108.49 3m1i n ARG 616 Ca 0.01 0.00 -0.27 0.00 -1.04 0.00 0.00 57.85 56.55 3m1i n ARG 616 Cb 0.41 -2.51 -0.07 0.00 -3.04 0.00 0.00 32.46 27.24 3m1i n ARG 616 CO 0.00 0.00 0.00 -1.21 -3.04 0.00 0.00 177.63 173.38 3m1i s GLU 617 N -0.03 2.48 0.05 2.89 0.41 -1.07 -5.04 118.70 118.40 3m1i s GLU 617 Ca 0.00 -1.06 0.25 0.00 -0.41 0.00 0.00 54.97 53.75 3m1i s GLU 617 Cb 0.00 -2.41 0.44 0.00 -1.78 0.00 0.00 34.13 30.38 3m1i s GLU 617 CO 0.00 0.46 1.37 -1.13 -0.49 0.00 0.00 175.26 175.47 3m1i n SER 618 N -0.12 0.57 -3.45 -0.19 3.41 -1.26 -4.70 113.62 107.87 3m1i n SER 618 Ca -0.09 -0.07 -0.13 0.00 -0.26 0.00 0.00 58.87 58.31 3m1i n SER 618 Cb 0.55 0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 64.69 3m1i n SER 618 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3m1i s GLU 619 N -3.08 1.22 0.26 4.33 -1.05 -1.26 -5.10 118.70 114.01 3m1i s GLU 619 Ca 0.09 -0.29 -0.30 0.00 -0.15 0.00 0.00 54.97 54.32 3m1i s GLU 619 Cb 0.16 0.56 -0.14 0.00 -0.44 0.00 0.00 34.13 34.27 3m1i s GLU 619 CO 0.71 -0.50 1.25 -2.30 0.95 0.00 0.00 175.26 175.37 3m1i n PRO 620 N -0.04 1.72 0.08 -4.83 -0.02 -1.26 -4.69 135.00 125.96 3m1i n PRO 620 Ca -0.18 0.61 0.13 0.00 -2.02 0.00 0.00 63.50 62.04 3m1i n PRO 620 Cb 0.63 -2.16 0.62 0.00 -0.02 0.00 0.00 33.50 32.57 3m1i n PRO 620 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3m1i h PHE 621 N 3.25 0.12 -0.43 6.00 3.57 -1.70 -0.89 116.94 126.85 3m1i h PHE 621 Ca -0.44 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.08 3m1i h PHE 621 Cb 1.30 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.98 3m1i h PHE 621 CO 0.53 0.06 0.29 0.97 -2.23 0.00 0.00 178.31 177.93 3m1i h ILE 622 N 0.12 1.08 -0.60 1.41 6.09 -1.74 0.11 117.51 123.98 3m1i h ILE 622 Ca 0.15 -0.19 -0.05 0.00 -1.37 0.00 0.00 64.86 63.41 3m1i h ILE 622 Cb 0.46 0.49 -0.03 0.00 0.47 0.00 0.00 36.82 38.22 3m1i h ILE 622 CO -0.02 0.10 0.19 1.56 -3.07 0.00 0.00 178.15 176.92 3m1i h GLN 623 N 0.54 0.93 -0.43 2.19 4.20 -1.44 0.11 115.11 121.22 3m1i h GLN 623 Ca 0.16 -0.20 -0.10 0.00 0.06 0.00 0.00 58.65 58.58 3m1i h GLN 623 Cb -0.00 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 3m1i h GLN 623 CO -0.04 0.82 -0.10 1.15 -0.67 0.00 0.00 178.83 179.99 3m1i h THR 624 N 0.85 1.27 -0.20 -0.54 2.02 -1.08 -1.69 112.91 113.54 3m1i h THR 624 Ca 0.19 -1.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.16 3m1i h THR 624 Cb 0.28 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 3m1i h THR 624 CO -0.01 0.41 0.12 0.40 0.37 0.00 0.00 175.52 176.81 3m1i h ILE 625 N 0.65 1.09 -0.79 3.11 2.04 -0.53 -2.83 117.51 120.25 3m1i h ILE 625 Ca 0.11 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 3m1i h ILE 625 Cb 0.64 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 3m1i h ILE 625 CO 0.04 0.09 0.29 0.40 0.00 0.00 0.00 178.15 178.97 3m1i h ILE 626 N 0.24 1.26 -0.20 -0.67 2.04 -0.64 -2.41 117.51 117.13 3m1i h ILE 626 Ca 0.07 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 3m1i h ILE 626 Cb 0.04 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 3m1i h ILE 626 CO -0.01 0.35 0.09 -0.09 0.00 0.00 0.00 178.15 178.48 3m1i h ARG 627 N 1.16 0.27 -0.44 2.37 2.43 -1.09 -2.87 114.38 116.21 3m1i h ARG 627 Ca 0.26 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 3m1i h ARG 627 Cb 0.25 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 3m1i h ARG 627 CO -0.02 0.22 0.00 -0.25 -1.51 0.00 0.00 179.97 178.41 3m1i n ASP 628 N -4.46 3.36 -0.20 -3.80 8.00 -0.96 -4.61 116.55 113.89 3m1i n ASP 628 Ca -0.00 -2.12 0.05 0.00 0.71 0.00 0.00 54.79 53.43 3m1i n ASP 628 Cb 0.11 -0.34 0.32 0.00 -0.02 0.00 0.00 41.12 41.19 3m1i n ASP 628 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3m1i h ILE 629 N 2.63 1.07 -0.33 0.53 2.10 -1.21 0.89 117.51 123.20 3m1i h ILE 629 Ca 0.00 -0.29 -0.07 0.00 1.08 0.00 0.00 64.86 65.58 3m1i h ILE 629 Cb 0.90 0.16 -0.01 0.00 -1.09 0.00 0.00 36.82 36.78 3m1i h ILE 629 CO 0.04 0.15 -0.08 -0.61 -1.08 0.00 0.00 178.15 176.57 3m1i h GLN 630 N 0.84 0.64 -0.27 2.19 4.15 -1.84 -1.33 115.11 119.49 3m1i h GLN 630 Ca 0.30 -0.25 -0.04 0.00 0.77 0.00 0.00 58.65 59.43 3m1i h GLN 630 Cb 0.14 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 3m1i h GLN 630 CO -0.09 0.82 0.00 -0.22 -1.93 0.00 0.00 178.83 177.41 3m1i h LYS 631 N 0.42 0.48 -0.66 1.69 3.64 -1.70 -2.80 116.57 117.63 3m1i h LYS 631 Ca 0.08 -0.15 -0.08 0.00 -1.27 0.00 0.00 60.65 59.23 3m1i h LYS 631 Cb 0.58 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 3m1i h LYS 631 CO 0.03 0.63 0.10 1.15 -2.27 0.00 0.00 179.45 179.10 3m1i h THR 632 N 0.26 1.26 -0.19 1.00 2.02 -0.67 -3.16 112.91 113.43 3m1i h THR 632 Ca 0.08 -1.05 0.00 0.00 0.77 0.00 0.00 66.41 66.21 3m1i h THR 632 Cb 0.41 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 3m1i h THR 632 CO 0.01 0.39 0.00 0.35 0.37 0.00 0.00 175.52 176.65 3m1i n THR 633 N -4.21 0.24 0.29 3.16 -2.24 -0.52 -4.58 114.28 106.42 3m1i n THR 633 Ca 0.04 -0.46 0.16 0.00 -2.27 0.00 0.00 64.05 61.52 3m1i n THR 633 Cb 0.30 0.69 0.90 0.00 -2.10 0.00 0.00 70.33 70.12 3m1i n THR 633 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3m1i h ALA 634 N 4.30 1.25 -0.03 6.98 0.00 -1.46 -1.06 119.26 129.24 3m1i h ALA 634 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3m1i h ALA 634 Cb 0.69 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3m1i h ALA 634 CO 0.00 0.06 -0.04 -0.25 0.00 0.00 0.00 179.25 179.02 3m1i n ASP 635 N -3.51 2.79 -4.81 0.00 8.00 -1.26 -4.97 116.55 112.79 3m1i n ASP 635 Ca -0.02 -1.90 -0.35 0.00 0.71 0.00 0.00 54.79 53.23 3m1i n ASP 635 Cb 0.16 0.04 -0.06 0.00 -0.02 0.00 0.00 41.12 41.24 3m1i n ASP 635 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3m1i s LEU 636 N -1.92 4.23 0.63 0.64 1.43 -0.41 -4.97 118.68 118.31 3m1i s LEU 636 Ca 0.25 1.53 -0.17 0.00 -1.03 0.00 0.00 54.13 54.72 3m1i s LEU 636 Cb 0.19 -3.93 -0.01 0.00 0.03 0.00 0.00 46.19 42.46 3m1i s LEU 636 CO 0.30 -0.10 1.15 -1.10 0.23 0.00 0.00 176.35 176.84 3m1i s GLN 637 N -2.37 2.84 0.24 1.70 1.11 -1.26 -4.76 119.66 117.17 3m1i s GLN 637 Ca 0.50 1.60 -0.11 0.00 0.01 0.00 0.00 55.36 57.36 3m1i s GLN 637 Cb -0.15 -1.94 0.34 0.00 -1.01 0.00 0.00 33.01 30.26 3m1i s GLN 637 CO 0.20 -1.26 1.59 -1.35 0.01 0.00 0.00 175.29 174.48 3m1i h PRO 638 N 0.42 -0.01 -0.82 2.91 0.11 -1.97 -0.73 132.00 131.91 3m1i h PRO 638 Ca -0.48 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.74 3m1i h PRO 638 Cb 1.27 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.30 3m1i h PRO 638 CO 0.54 -0.00 0.44 0.37 -0.21 0.00 0.00 178.00 179.14 3m1i h GLN 639 N -0.01 0.68 -0.24 1.05 4.15 -2.00 -0.08 115.11 118.66 3m1i h GLN 639 Ca 0.39 -0.04 -0.14 0.00 0.77 0.00 0.00 58.65 59.63 3m1i h GLN 639 Cb 0.60 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 3m1i h GLN 639 CO -0.85 0.45 -0.44 1.96 -1.93 0.00 0.00 178.83 178.02 3m1i h GLN 640 N 0.70 0.61 -0.88 1.69 7.50 -1.62 -2.13 115.11 120.98 3m1i h GLN 640 Ca 0.42 -0.33 0.03 0.00 0.50 0.00 0.00 58.65 59.27 3m1i h GLN 640 Cb 0.47 0.01 -0.05 0.00 0.05 0.00 0.00 27.48 27.97 3m1i h GLN 640 CO -0.29 0.93 0.57 0.28 -1.50 0.00 0.00 178.83 178.81 3m1i h VAL 641 N 0.49 1.16 -0.32 -0.54 2.07 -0.37 -0.81 116.25 117.92 3m1i h VAL 641 Ca 0.03 -0.38 -0.08 0.00 0.82 0.00 0.00 66.70 67.09 3m1i h VAL 641 Cb 0.96 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3m1i h VAL 641 CO 0.09 0.20 -0.13 0.45 0.02 0.00 0.00 177.57 178.20 3m1i h HIS 642 N 1.12 0.60 -0.42 1.57 3.86 -0.76 -1.20 115.15 119.92 3m1i h HIS 642 Ca 0.35 -0.10 -0.00 0.00 -1.16 0.00 0.00 60.37 59.46 3m1i h HIS 642 Cb -0.02 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.27 3m1i h HIS 642 CO -0.02 0.66 0.26 1.15 0.86 0.00 0.00 177.93 180.84 3m1i h THR 643 N 0.51 1.13 -0.44 2.45 2.02 -0.92 0.01 112.91 117.67 3m1i h THR 643 Ca 0.09 -0.28 0.06 0.00 0.77 0.00 0.00 66.41 67.05 3m1i h THR 643 Cb 0.52 0.56 -0.05 0.00 -1.74 0.00 0.00 68.15 67.44 3m1i h THR 643 CO 0.03 0.13 0.13 0.15 0.37 0.00 0.00 175.52 176.33 3m1i h PHE 644 N 0.56 0.22 -0.98 3.16 3.57 -0.33 -0.60 116.94 122.54 3m1i h PHE 644 Ca 0.15 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.69 3m1i h PHE 644 Cb -0.02 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.64 3m1i h PHE 644 CO -0.04 0.06 0.65 1.88 -2.23 0.00 0.00 178.31 178.63 3m1i h TYR 645 N 0.28 1.23 -0.68 0.41 0.05 -1.06 -1.28 116.97 115.92 3m1i h TYR 645 Ca 0.21 0.03 0.04 0.00 0.05 0.00 0.00 58.73 59.06 3m1i h TYR 645 Cb 0.23 -0.42 -0.05 0.00 1.01 0.00 0.00 36.73 37.51 3m1i h TYR 645 CO -0.18 0.77 0.41 -0.22 -1.05 0.00 0.00 178.16 177.90 3m1i h LYS 646 N 1.33 0.77 -0.52 4.88 3.64 -0.34 -0.22 116.57 126.10 3m1i h LYS 646 Ca 0.36 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.70 3m1i h LYS 646 Cb -0.15 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.47 3m1i h LYS 646 CO -0.08 0.51 0.35 0.00 -2.27 0.00 0.00 179.45 177.96 3m1i h ALA 647 N 1.31 0.67 -0.90 5.00 0.00 -0.58 -1.59 119.26 123.16 3m1i h ALA 647 Ca 0.28 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.21 3m1i h ALA 647 Cb 0.07 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 3m1i h ALA 647 CO -0.13 0.10 0.59 0.00 0.00 0.00 0.00 179.25 179.82 3m1i h GLY 649 N 1.08 1.11 0.96 0.00 0.00 -0.21 -0.24 103.07 105.78 3m1i h GLY 649 Ca 0.37 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 3m1i h GLY 649 CO -0.13 0.51 0.13 -2.22 0.00 0.00 0.00 176.54 174.83 3m1i h ILE 650 N 1.03 1.09 -0.12 2.60 2.04 -0.52 -2.07 117.51 121.57 3m1i h ILE 650 Ca 0.25 -0.24 0.04 0.00 1.00 0.00 0.00 64.86 65.92 3m1i h ILE 650 Cb 0.09 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 3m1i h ILE 650 CO -0.03 0.09 -0.15 0.40 0.00 0.00 0.00 178.15 178.46 3m1i h ILE 651 N 0.26 0.61 -0.46 -0.67 2.04 -0.88 -2.88 117.51 115.52 3m1i h ILE 651 Ca 0.08 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.94 3m1i h ILE 651 Cb 0.04 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 3m1i h ILE 651 CO -0.01 0.00 0.31 0.40 0.00 0.00 0.00 178.15 178.84 3m1i h ILE 652 N -0.19 1.12 0.00 -0.67 2.04 -0.88 -2.10 117.51 116.82 3m1i h ILE 652 Ca 0.09 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.73 3m1i h ILE 652 Cb 0.32 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 3m1i h ILE 652 CO -0.23 0.11 0.00 -1.20 0.00 0.00 0.00 178.15 176.84 3m1i n SER 653 N -4.47 0.00 0.17 1.72 7.64 -0.79 -1.31 113.62 116.58 3m1i n SER 653 Ca 0.04 -0.06 0.01 0.00 1.01 0.00 0.00 58.87 59.87 3m1i n SER 653 Cb 0.06 -0.28 0.28 0.00 -1.01 0.00 0.00 64.21 63.25 3m1i n SER 653 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3m1i h GLU 654 N 0.00 0.00 -6.35 1.43 4.57 -1.40 -3.43 114.58 109.40 3m1i h GLU 654 Ca 0.00 0.00 -0.57 0.00 -1.18 0.00 0.00 59.36 57.61 3m1i h GLU 654 Cb 0.23 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.78 3m1i h GLU 654 CO 0.00 0.47 1.03 -2.00 -1.18 0.00 0.00 179.01 177.33 3m1i s GLU 655 N -3.92 3.84 0.01 1.92 2.56 -0.42 -4.92 118.70 117.76 3m1i s GLU 655 Ca -0.02 1.32 0.23 0.00 0.00 0.00 0.00 54.97 56.50 3m1i s GLU 655 Cb 0.13 -3.94 0.11 0.00 2.00 0.00 0.00 34.13 32.44 3m1i s GLU 655 CO 0.74 -1.23 1.13 0.54 -0.56 0.00 0.00 175.26 175.88 3m1i n ARG 656 N 7.51 0.04 -2.57 4.30 5.12 -1.26 -4.61 116.66 125.18 3m1i n ARG 656 Ca 0.16 -0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.66 3m1i n ARG 656 Cb 0.46 -1.51 -0.03 0.00 -1.16 0.00 0.00 32.46 30.22 3m1i n ARG 656 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3m1i s SER 657 N -3.14 7.18 0.18 0.55 1.04 -1.26 -4.92 113.70 113.33 3m1i s SER 657 Ca 0.09 1.75 -0.14 0.00 0.48 0.00 0.00 55.95 58.13 3m1i s SER 657 Cb 0.16 -2.56 0.17 0.00 0.10 0.00 0.00 66.02 63.89 3m1i s SER 657 CO 0.79 -0.45 1.72 1.62 0.98 0.00 0.00 173.24 177.90 3m1i h VAL 658 N 4.88 0.74 -0.69 5.02 3.04 -1.99 -1.20 116.25 126.05 3m1i h VAL 658 Ca -0.36 -0.08 -0.03 0.00 -1.01 0.00 0.00 66.70 65.22 3m1i h VAL 658 Cb 1.18 0.49 -0.03 0.00 -2.01 0.00 0.00 31.29 30.92 3m1i h VAL 658 CO 0.83 0.04 0.33 0.00 -1.01 0.00 0.00 177.57 177.76 3m1i h ALA 659 N 1.37 0.89 -0.19 3.17 0.00 -1.98 0.44 119.26 122.97 3m1i h ALA 659 Ca 0.23 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3m1i h ALA 659 Cb 0.31 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3m1i h ALA 659 CO -0.31 0.46 -0.19 0.93 0.00 0.00 0.00 179.25 180.14 3m1i h GLU 660 N 0.97 0.46 -0.13 0.00 3.07 -1.89 -1.99 114.58 115.07 3m1i h GLU 660 Ca 0.24 -0.24 -0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3m1i h GLU 660 Cb 0.12 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.04 3m1i h GLU 660 CO -0.03 0.82 0.06 -0.09 -1.40 0.00 0.00 179.01 178.37 3m1i h ARG 661 N 0.12 0.18 -0.96 2.33 2.43 -1.06 -1.70 114.38 115.72 3m1i h ARG 661 Ca 0.03 -0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.28 3m1i h ARG 661 Cb 0.74 -0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 30.17 3m1i h ARG 661 CO 0.05 0.24 0.59 -0.91 -1.51 0.00 0.00 179.97 178.43 3m1i h ASN 662 N 0.09 0.88 -0.34 -3.80 2.35 -0.89 -0.72 115.58 113.15 3m1i h ASN 662 Ca 0.04 0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.75 3m1i h ASN 662 Cb 0.11 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 3m1i h ASN 662 CO -0.01 0.48 -0.12 -0.09 -1.65 0.00 0.00 177.43 176.04 3m1i h ARG 663 N 0.96 0.68 -0.69 0.81 9.65 -1.06 -1.26 114.38 123.48 3m1i h ARG 663 Ca 0.47 -0.28 0.08 0.00 -1.10 0.00 0.00 59.98 59.15 3m1i h ARG 663 Cb 0.43 -0.03 -0.07 0.00 -1.39 0.00 0.00 29.97 28.91 3m1i h ARG 663 CO -0.25 0.87 0.36 -0.07 2.80 0.00 0.00 179.97 183.67 3m1i h LEU 664 N 0.46 0.48 -0.46 3.80 3.38 -1.05 0.80 115.31 122.72 3m1i h LEU 664 Ca 0.08 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 3m1i h LEU 664 Cb 0.64 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3m1i h LEU 664 CO 0.04 0.29 0.18 0.25 0.09 0.00 0.00 178.44 179.29 3m1i h LEU 665 N 0.62 0.64 -0.58 1.67 5.85 -0.94 0.54 115.31 123.11 3m1i h LEU 665 Ca 0.33 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.91 3m1i h LEU 665 Cb 0.30 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 3m1i h LEU 665 CO -0.24 0.64 0.34 -1.28 -0.34 0.00 0.00 178.44 177.56 3m1i h SER 666 N 0.60 0.54 -0.38 1.25 0.87 -0.94 -0.83 113.55 114.67 3m1i h SER 666 Ca 0.15 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.65 3m1i h SER 666 Cb 0.20 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 3m1i h SER 666 CO -0.01 0.37 -0.05 0.44 -0.53 0.00 0.00 176.83 177.05 3m1i h ASP 667 N 0.67 0.71 -0.54 6.23 3.32 -0.49 -2.81 116.42 123.50 3m1i h ASP 667 Ca 0.24 -0.34 0.06 0.00 0.02 0.00 0.00 57.03 57.01 3m1i h ASP 667 Cb 0.07 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.37 3m1i h ASP 667 CO -0.12 0.88 0.26 0.25 -1.72 0.00 0.00 179.24 178.78 3m1i h LEU 668 N 0.52 0.35 -0.19 1.55 5.85 -0.69 -2.75 115.31 119.94 3m1i h LEU 668 Ca 0.10 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3m1i h LEU 668 Cb 0.55 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.55 3m1i h LEU 668 CO 0.03 0.23 0.00 0.23 -0.34 0.00 0.00 178.44 178.59 3m1i n MET 669 N -4.90 1.12 0.03 1.25 2.81 -0.33 -4.29 117.12 112.80 3m1i n MET 669 Ca 0.05 -0.19 -0.11 0.00 -1.81 0.00 0.00 57.70 55.65 3m1i n MET 669 Cb 0.16 -1.24 -0.05 0.00 -0.71 0.00 0.00 33.22 31.38 3m1i n MET 669 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 3m1i h GLN 670 N 0.36 -0.11 0.12 0.03 4.15 -1.23 0.17 115.11 118.61 3m1i h GLN 670 Ca 0.00 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 3m1i h GLN 670 Cb 0.08 0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.80 3m1i h GLN 670 CO 0.00 -0.07 -0.06 -0.07 -1.93 0.00 0.00 178.83 176.70 3m1i h LEU 671 N -0.12 -0.14 -1.43 -2.39 3.38 -1.83 -1.02 115.31 111.76 3m1i h LEU 671 Ca 0.05 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 3m1i h LEU 671 Cb 0.18 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3m1i h LEU 671 CO -0.12 0.06 -0.29 1.55 0.09 0.00 0.00 178.44 179.73 3m1i h PRO 672 N -0.33 0.00 -0.08 1.13 0.13 -1.81 -1.67 132.00 129.37 3m1i h PRO 672 Ca -0.02 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.92 3m1i h PRO 672 Cb 0.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.39 3m1i h PRO 672 CO 0.03 0.29 -0.75 -0.91 -0.23 0.00 0.00 178.00 176.42 3m1i h ASN 673 N 0.00 0.51 -0.30 1.44 2.35 -0.40 -0.41 115.58 118.77 3m1i h ASN 673 Ca -0.00 -0.34 -0.07 0.00 -0.55 0.00 0.00 56.30 55.33 3m1i h ASN 673 Cb 0.51 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 3m1i h ASN 673 CO 0.04 1.09 -0.10 0.24 -1.65 0.00 0.00 177.43 177.05 3m1i h MET 674 N 0.29 0.59 -0.84 0.81 2.86 -0.89 -0.94 114.93 116.81 3m1i h MET 674 Ca -0.04 -0.24 0.05 0.00 -2.06 0.00 0.00 59.70 57.42 3m1i h MET 674 Cb 1.33 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.91 3m1i h MET 674 CO 0.13 0.79 0.52 0.00 1.06 0.00 0.00 176.91 179.42 3m1i h ALA 675 N 0.77 1.13 0.04 6.32 0.00 -1.21 -2.64 119.26 123.67 3m1i h ALA 675 Ca 0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3m1i h ALA 675 Cb 0.59 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3m1i h ALA 675 CO 0.03 0.30 -0.02 2.35 0.00 0.00 0.00 179.25 181.92 3m1i h TRP 676 N 0.98 -0.04 -0.67 0.00 2.91 -0.89 -1.13 115.95 117.11 3m1i h TRP 676 Ca 0.35 -0.00 0.08 0.00 1.13 0.00 0.00 58.89 60.45 3m1i h TRP 676 Cb 0.10 0.01 -0.06 0.00 -0.51 0.00 0.00 29.16 28.70 3m1i h TRP 676 CO -0.03 0.02 0.34 -0.44 -1.03 0.00 0.00 178.44 177.30 3m1i h ASP 677 N -0.10 0.47 -0.14 2.65 3.32 -1.03 0.35 116.42 121.95 3m1i h ASP 677 Ca -0.00 0.05 -0.19 0.00 0.02 0.00 0.00 57.03 56.90 3m1i h ASP 677 Cb 0.08 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 39.61 3m1i h ASP 677 CO 0.01 0.29 -0.67 0.71 -1.72 0.00 0.00 179.24 177.85 3m1i h THR 678 N 0.61 1.31 -0.93 0.35 1.35 -1.26 -1.46 112.91 112.87 3m1i h THR 678 Ca 0.32 -1.91 0.00 0.00 -0.55 0.00 0.00 66.41 64.27 3m1i h THR 678 Cb 0.29 2.06 -0.05 0.00 -1.73 0.00 0.00 68.15 68.72 3m1i h THR 678 CO -0.23 0.60 0.60 0.40 -0.25 0.00 0.00 175.52 176.63 3m1i h ILE 679 N 0.38 1.25 0.14 6.82 1.08 -0.99 0.14 117.51 126.33 3m1i h ILE 679 Ca -0.05 -0.48 -0.01 0.00 -0.39 0.00 0.00 64.86 63.94 3m1i h ILE 679 Cb 1.31 -0.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.96 3m1i h ILE 679 CO 0.14 0.25 -0.07 0.58 -0.69 0.00 0.00 178.15 178.36 3m1i h VAL 680 N 1.27 1.02 -0.08 1.67 2.07 -0.15 -0.39 116.25 121.67 3m1i h VAL 680 Ca 0.34 -0.80 0.02 0.00 0.82 0.00 0.00 66.70 67.08 3m1i h VAL 680 Cb -0.11 1.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 3m1i h VAL 680 CO -0.07 0.19 -0.46 -0.33 0.02 0.00 0.00 177.57 176.92 3m1i h GLU 681 N -0.58 -0.50 0.14 1.57 3.07 -1.03 0.34 114.58 117.58 3m1i h GLU 681 Ca -0.02 0.03 0.02 0.00 -0.50 0.00 0.00 59.36 58.89 3m1i h GLU 681 Cb 0.45 0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 28.43 3m1i h GLU 681 CO 0.03 -0.33 -0.40 1.96 -1.40 0.00 0.00 179.01 178.87 3m1i h GLN 682 N -0.52 -0.62 0.00 2.33 4.20 -0.75 -1.78 115.11 117.97 3m1i h GLN 682 Ca 0.02 0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 3m1i h GLN 682 Cb 0.59 0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.50 3m1i h GLN 682 CO -0.35 -0.41 -0.09 0.66 -0.67 0.00 0.00 178.83 177.98 3m1i h SER 683 N -0.64 0.00 -0.26 1.46 4.64 -1.10 0.22 113.55 117.86 3m1i h SER 683 Ca 0.02 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.31 3m1i h SER 683 Cb 0.66 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.74 3m1i h SER 683 CO -0.22 0.09 0.07 0.74 -0.87 0.00 0.00 176.83 176.63 3m1i h THR 684 N 0.00 1.17 0.00 2.95 2.02 -0.68 -2.94 112.91 115.43 3m1i h THR 684 Ca -0.00 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.57 3m1i h THR 684 Cb 0.75 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 3m1i h THR 684 CO 0.01 0.22 -1.06 0.00 0.37 0.00 0.00 175.52 175.06 3m1i n ALA 685 N -2.48 3.13 -3.25 6.16 0.00 -0.69 -4.64 120.51 118.74 3m1i n ALA 685 Ca 0.02 -0.36 -0.22 0.00 0.00 0.00 0.00 53.44 52.87 3m1i n ALA 685 Cb 0.19 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.57 3m1i n ALA 685 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3m1i n ASN 686 N -2.14 -1.12 -0.02 0.00 5.15 0.01 -5.00 115.26 112.14 3m1i n ASN 686 Ca 0.01 -2.50 0.23 0.00 -0.60 0.00 0.00 54.58 51.73 3m1i n ASN 686 Cb 0.47 -0.06 0.61 0.00 -0.53 0.00 0.00 39.78 40.27 3m1i n ASN 686 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3m1i h PRO 687 N 5.46 0.00 0.00 1.20 0.11 -1.78 0.05 132.00 137.04 3m1i h PRO 687 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 3m1i h PRO 687 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3m1i h PRO 687 CO 0.30 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.34 3m1i n THR 688 N -3.44 0.71 -0.30 -1.15 -2.24 -1.26 -2.28 114.28 104.31 3m1i n THR 688 Ca 0.13 -0.01 0.09 0.00 -2.27 0.00 0.00 64.05 61.99 3m1i n THR 688 Cb 1.00 -0.89 0.26 0.00 -2.10 0.00 0.00 70.33 68.60 3m1i n THR 688 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3m1i h LEU 689 N 0.00 0.51 -1.06 3.22 3.38 -1.33 -1.76 115.31 118.28 3m1i h LEU 689 Ca 0.00 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3m1i h LEU 689 Cb 0.54 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3m1i h LEU 689 CO 0.00 0.17 0.21 0.18 0.09 0.00 0.00 178.44 179.09 3m1i n LEU 690 N -4.90 0.41 0.00 1.67 4.77 -0.97 0.28 117.00 118.27 3m1i n LEU 690 Ca 0.19 0.62 0.12 0.00 -0.03 0.00 0.00 56.01 56.91 3m1i n LEU 690 Cb 0.51 -0.61 0.20 0.00 -2.33 0.00 0.00 43.42 41.19 3m1i n LEU 690 CO 0.19 -0.76 0.38 0.18 -1.33 0.00 0.00 177.39 176.05 3m1i n LEU 691 N -2.13 0.56 -4.58 2.23 4.77 -0.66 -4.71 117.00 112.49 3m1i n LEU 691 Ca -0.01 -0.04 -0.42 0.00 -0.03 0.00 0.00 56.01 55.52 3m1i n LEU 691 Cb 0.24 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 3m1i n LEU 691 CO 0.07 0.12 1.27 -0.62 -1.33 0.00 0.00 177.39 176.90 3m1i s ASP 692 N -3.10 6.12 0.24 -1.43 3.68 0.80 -4.89 116.67 118.09 3m1i s ASP 692 Ca 0.10 0.34 0.03 0.00 2.13 0.00 0.00 52.55 55.15 3m1i s ASP 692 Cb 0.17 -2.54 0.62 0.00 -1.45 0.00 0.00 42.92 39.72 3m1i s ASP 692 CO 0.72 -1.70 1.18 -0.24 0.13 0.00 0.00 175.17 175.26 3m1i n SER 693 N 9.61 -0.05 -0.13 -0.34 2.88 -1.26 -0.52 113.62 123.81 3m1i n SER 693 Ca 0.13 1.28 -0.11 0.00 -1.33 0.00 0.00 58.87 58.84 3m1i n SER 693 Cb 0.49 -0.48 -0.02 0.00 -0.75 0.00 0.00 64.21 63.45 3m1i n SER 693 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 3m1i h GLU 694 N 0.00 0.69 -0.55 -1.46 4.57 -1.91 -1.75 114.58 114.15 3m1i h GLU 694 Ca 0.48 -0.24 -0.10 0.00 -1.18 0.00 0.00 59.36 58.31 3m1i h GLU 694 Cb 1.02 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.54 3m1i h GLU 694 CO -0.70 0.82 -0.05 1.15 -1.18 0.00 0.00 179.01 179.05 3m1i h THR 695 N 0.49 1.27 -0.75 0.32 2.02 -1.07 -0.92 112.91 114.26 3m1i h THR 695 Ca 0.10 -1.19 -0.04 0.00 0.77 0.00 0.00 66.41 66.05 3m1i h THR 695 Cb 0.54 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 3m1i h THR 695 CO 0.03 0.42 0.31 0.58 0.37 0.00 0.00 175.52 177.24 3m1i h VAL 696 N 0.89 1.25 -0.46 3.16 2.07 -1.24 -1.39 116.25 120.53 3m1i h VAL 696 Ca 0.15 -0.76 -0.12 0.00 0.82 0.00 0.00 66.70 66.79 3m1i h VAL 696 Cb 0.61 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3m1i h VAL 696 CO 0.04 0.31 -0.19 0.11 0.02 0.00 0.00 177.57 177.86 3m1i h LYS 697 N 1.09 0.95 -0.43 1.57 1.57 -0.84 -1.32 116.57 119.15 3m1i h LYS 697 Ca 0.25 -0.40 0.02 0.00 -1.87 0.00 0.00 60.65 58.65 3m1i h LYS 697 Cb 0.18 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 3m1i h LYS 697 CO -0.02 1.06 0.26 0.82 -0.57 0.00 0.00 179.45 181.00 3m1i h ILE 698 N 0.79 1.06 -0.06 1.86 2.04 -1.00 -1.88 117.51 120.32 3m1i h ILE 698 Ca 0.11 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 3m1i h ILE 698 Cb 0.76 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 3m1i h ILE 698 CO 0.06 0.10 0.03 0.40 0.00 0.00 0.00 178.15 178.73 3m1i h ILE 699 N 0.53 1.11 -0.54 -0.67 2.04 -1.13 -1.90 117.51 116.95 3m1i h ILE 699 Ca 0.17 -0.33 0.03 0.00 1.00 0.00 0.00 64.86 65.73 3m1i h ILE 699 Cb -0.00 1.23 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 3m1i h ILE 699 CO -0.07 0.09 0.32 0.00 0.00 0.00 0.00 178.15 178.49 3m1i h ALA 700 N 0.90 0.70 -0.86 1.87 0.00 -1.13 -1.34 119.26 119.40 3m1i h ALA 700 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3m1i h ALA 700 Cb 0.13 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3m1i h ALA 700 CO -0.00 0.02 0.55 -0.91 0.00 0.00 0.00 179.25 178.91 3m1i h ASN 701 N 0.63 1.00 -0.27 0.00 2.35 -1.21 0.11 115.58 118.19 3m1i h ASN 701 Ca 0.22 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 3m1i h ASN 701 Cb 0.05 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 3m1i h ASN 701 CO -0.11 0.74 0.12 0.40 -1.65 0.00 0.00 177.43 176.93 3m1i h ILE 702 N 1.17 1.16 -0.46 2.81 2.04 -0.95 -1.18 117.51 122.11 3m1i h ILE 702 Ca 0.31 -0.49 -0.06 0.00 1.00 0.00 0.00 64.86 65.62 3m1i h ILE 702 Cb -0.10 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 3m1i h ILE 702 CO -0.06 0.17 0.03 0.40 0.00 0.00 0.00 178.15 178.69 3m1i h ILE 703 N 0.29 1.26 -0.39 -0.67 1.08 -1.05 -1.92 117.51 116.11 3m1i h ILE 703 Ca 0.09 -0.99 -0.00 0.00 -0.39 0.00 0.00 64.86 63.57 3m1i h ILE 703 Cb 0.16 1.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.89 3m1i h ILE 703 CO -0.01 0.34 0.22 0.11 -0.69 0.00 0.00 178.15 178.13 3m1i h LYS 704 N 0.64 0.52 -0.31 2.37 1.57 -0.91 0.25 116.57 120.70 3m1i h LYS 704 Ca 0.13 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 3m1i h LYS 704 Cb 0.45 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 3m1i h LYS 704 CO 0.02 0.38 0.10 1.15 -0.57 0.00 0.00 179.45 180.52 3m1i h THR 705 N 0.53 1.20 -0.77 -0.16 2.02 -0.87 -1.43 112.91 113.44 3m1i h THR 705 Ca 0.14 -0.66 0.02 0.00 0.77 0.00 0.00 66.41 66.68 3m1i h THR 705 Cb -0.00 1.06 -0.04 0.00 -1.74 0.00 0.00 68.15 67.42 3m1i h THR 705 CO -0.02 0.22 0.50 0.78 0.37 0.00 0.00 175.52 177.37 3m1i h ASN 706 N 0.34 0.86 -0.64 4.18 2.35 -0.61 -2.36 115.58 119.70 3m1i h ASN 706 Ca 0.10 -0.02 0.04 0.00 -0.55 0.00 0.00 56.30 55.87 3m1i h ASN 706 Cb 0.25 -0.21 -0.05 0.00 0.05 0.00 0.00 38.32 38.36 3m1i h ASN 706 CO -0.00 0.61 0.37 0.58 -1.65 0.00 0.00 177.43 177.34 3m1i h VAL 707 N 1.01 1.03 -0.43 2.81 2.07 -0.80 -0.35 116.25 121.59 3m1i h VAL 707 Ca 0.29 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 3m1i h VAL 707 Cb -0.07 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 29.92 3m1i h VAL 707 CO -0.08 0.13 0.26 0.00 0.02 0.00 0.00 177.57 177.90 3m1i h ALA 708 N 1.30 0.55 -0.13 1.67 0.00 -0.93 0.25 119.26 121.97 3m1i h ALA 708 Ca 0.27 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.94 3m1i h ALA 708 Cb 0.09 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3m1i h ALA 708 CO -0.14 0.04 -0.67 0.28 0.00 0.00 0.00 179.25 178.77 3m1i h VAL 709 N 0.57 1.34 -0.44 0.00 2.07 -1.28 -2.75 116.25 115.75 3m1i h VAL 709 Ca 0.15 -1.99 -0.07 0.00 0.82 0.00 0.00 66.70 65.61 3m1i h VAL 709 Cb 0.00 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 3m1i h VAL 709 CO -0.03 0.61 -0.03 0.00 0.02 0.00 0.00 177.57 178.15 3m1i h THR 711 N 0.69 1.21 0.00 0.00 1.03 -0.22 0.45 112.91 116.07 3m1i h THR 711 Ca 0.13 -0.86 -0.13 0.00 -0.01 0.00 0.00 66.41 65.55 3m1i h THR 711 Cb 0.46 0.95 -0.02 0.00 -1.07 0.00 0.00 68.15 68.47 3m1i h THR 711 CO 0.02 0.29 -1.07 0.77 -0.01 0.00 0.00 175.52 175.52 3m1i h SER 712 N 0.55 0.00 0.36 0.00 4.64 -1.27 -3.37 113.55 114.46 3m1i h SER 712 Ca 0.11 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.18 3m1i h SER 712 Cb 0.37 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.42 3m1i h SER 712 CO 0.01 0.48 -1.85 0.23 -0.87 0.00 0.00 176.83 174.83 3m1i n MET 713 N -2.97 0.65 0.00 4.77 2.00 0.28 -4.67 117.12 117.18 3m1i n MET 713 Ca -0.05 0.13 0.00 0.00 0.00 0.00 0.00 57.70 57.79 3m1i n MET 713 Cb 0.77 -1.69 0.00 0.00 0.00 0.00 0.00 33.22 32.30 3m1i n MET 713 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3m1i n GLY 714 N 1.54 2.58 0.38 3.03 0.00 0.15 -1.63 105.19 111.25 3m1i n GLY 714 Ca -0.18 -0.34 0.18 0.00 0.00 0.00 0.00 46.02 45.67 3m1i n GLY 714 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m1i h ALA 715 N -0.73 2.29 0.00 4.61 0.00 -1.87 -0.78 119.26 122.79 3m1i h ALA 715 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3m1i h ALA 715 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3m1i h ALA 715 CO 0.00 -0.47 0.00 -0.25 0.00 0.00 0.00 179.25 178.53 3m1i n ASP 716 N -4.43 0.43 0.26 0.00 8.00 -0.64 -2.71 116.55 117.45 3m1i n ASP 716 Ca 0.12 0.62 0.16 0.00 0.71 0.00 0.00 54.79 56.40 3m1i n ASP 716 Cb 0.57 -0.70 0.53 0.00 -0.02 0.00 0.00 41.12 41.50 3m1i n ASP 716 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3m1i h PHE 717 N 0.00 0.00 -0.61 1.24 3.57 -1.25 -3.39 116.94 116.49 3m1i h PHE 717 Ca 0.00 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.61 3m1i h PHE 717 Cb 0.28 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 38.91 3m1i h PHE 717 CO 0.00 0.00 -0.19 0.98 -2.23 0.00 0.00 178.31 176.87 3m1i n TYR 718 N -3.08 0.13 0.24 0.41 4.19 -1.10 -0.93 117.16 117.02 3m1i n TYR 718 Ca 0.02 0.75 0.07 0.00 3.31 0.00 0.00 57.90 62.05 3m1i n TYR 718 Cb 0.37 -0.80 0.58 0.00 0.49 0.00 0.00 39.34 39.99 3m1i n TYR 718 CO 0.00 0.00 0.00 -1.35 0.91 0.00 0.00 176.86 176.42 3m1i h PRO 719 N 0.00 0.00 0.13 2.98 0.11 -1.89 0.80 132.00 134.13 3m1i h PRO 719 Ca 0.26 -0.00 -0.27 0.00 0.11 0.00 0.00 66.00 66.10 3m1i h PRO 719 Cb 0.41 -0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.55 3m1i h PRO 719 CO -0.62 0.08 -1.14 0.37 -0.21 0.00 0.00 178.00 176.48 3m1i h GLN 720 N 0.00 0.54 -0.44 1.05 5.75 -1.36 -2.18 115.11 118.48 3m1i h GLN 720 Ca -0.00 -0.76 0.01 0.00 -0.15 0.00 0.00 58.65 57.75 3m1i h GLN 720 Cb 0.13 0.26 -0.02 0.00 1.07 0.00 0.00 27.48 28.91 3m1i h GLN 720 CO 0.01 1.34 0.29 1.25 -2.65 0.00 0.00 178.83 179.06 3m1i h LEU 721 N 0.12 0.49 -1.41 -2.39 5.85 -0.87 -1.78 115.31 115.32 3m1i h LEU 721 Ca -0.18 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.61 3m1i h LEU 721 Cb 1.84 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.70 3m1i h LEU 721 CO 0.22 0.35 0.48 1.23 -0.34 0.00 0.00 178.44 180.38 3m1i h GLY 722 N 0.58 0.92 1.01 3.75 0.00 -0.89 0.69 103.07 109.13 3m1i h GLY 722 Ca 0.16 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.17 3m1i h GLY 722 CO -0.04 0.19 0.22 0.84 0.00 0.00 0.00 176.54 177.75 3m1i h HIS 723 N 0.69 0.97 -0.00 5.60 -0.00 -0.65 -3.23 115.15 118.52 3m1i h HIS 723 Ca 0.32 -0.08 0.00 0.00 -0.00 0.00 0.00 60.37 60.61 3m1i h HIS 723 Cb 0.36 -0.29 0.00 0.00 -0.00 0.00 0.00 27.41 27.49 3m1i h HIS 723 CO -0.00 0.78 -0.80 0.44 -0.00 0.00 0.00 177.93 178.35 3m1i n ILE 724 N -4.42 0.00 -0.18 6.26 -5.35 -0.97 -4.79 119.36 109.92 3m1i n ILE 724 Ca 0.04 -0.10 -0.05 0.00 -0.27 0.00 0.00 62.75 62.37 3m1i n ILE 724 Cb 0.19 1.07 0.04 0.00 -1.74 0.00 0.00 39.64 39.20 3m1i n ILE 724 CO 0.00 0.00 0.00 0.22 -1.76 0.00 0.00 176.55 175.01 3m1i h TYR 725 N 0.69 0.59 -0.01 4.28 3.20 -0.89 0.04 116.97 124.88 3m1i h TYR 725 Ca 0.00 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 3m1i h TYR 725 Cb 0.55 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 3m1i h TYR 725 CO 0.00 0.34 0.00 -0.92 -1.64 0.00 0.00 178.16 175.94 3m1i h TYR 726 N 0.63 0.01 -0.38 -3.82 3.20 -1.86 -2.13 116.97 112.62 3m1i h TYR 726 Ca 0.21 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.96 3m1i h TYR 726 Cb 0.02 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 3m1i h TYR 726 CO -0.06 0.21 -0.24 -0.91 -1.64 0.00 0.00 178.16 175.51 3m1i h ASN 727 N -0.19 0.78 -0.26 -2.11 2.35 -1.86 -1.82 115.58 112.47 3m1i h ASN 727 Ca 0.00 -0.29 0.06 0.00 -0.55 0.00 0.00 56.30 55.52 3m1i h ASN 727 Cb 0.21 -0.21 -0.06 0.00 0.05 0.00 0.00 38.32 38.30 3m1i h ASN 727 CO -0.00 0.99 -0.11 -0.03 -1.65 0.00 0.00 177.43 176.63 3m1i h MET 728 N 0.66 -0.07 0.00 0.81 4.05 -0.90 0.12 114.93 119.60 3m1i h MET 728 Ca 0.09 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.43 3m1i h MET 728 Cb 0.76 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.56 3m1i h MET 728 CO 0.06 -0.05 -0.40 -0.07 0.23 0.00 0.00 176.91 176.68 3m1i h LEU 729 N -0.07 0.00 -0.51 3.39 3.38 -1.21 0.70 115.31 120.98 3m1i h LEU 729 Ca 0.14 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 3m1i h LEU 729 Cb 0.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3m1i h LEU 729 CO -0.31 0.40 0.01 1.56 0.09 0.00 0.00 178.44 180.19 3m1i h GLN 730 N 0.00 0.90 -0.24 1.13 1.08 -0.78 -2.01 115.11 115.19 3m1i h GLN 730 Ca -0.00 -0.28 0.01 0.00 -1.45 0.00 0.00 58.65 56.93 3m1i h GLN 730 Cb 0.83 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 28.16 3m1i h GLN 730 CO 0.05 0.92 0.12 1.25 -0.95 0.00 0.00 178.83 180.23 3m1i h LEU 731 N 0.76 0.19 -0.52 1.46 5.85 -0.41 -0.89 115.31 121.76 3m1i h LEU 731 Ca 0.15 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.98 3m1i h LEU 731 Cb 0.51 -0.03 -0.10 0.00 0.37 0.00 0.00 40.66 41.41 3m1i h LEU 731 CO 0.02 0.14 -0.15 0.22 -0.34 0.00 0.00 178.44 178.34 3m1i h TYR 732 N 0.26 -0.33 -0.76 1.25 3.20 -0.63 0.67 116.97 120.64 3m1i h TYR 732 Ca 0.10 0.05 0.02 0.00 3.14 0.00 0.00 58.73 62.03 3m1i h TYR 732 Cb 0.02 0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 3m1i h TYR 732 CO -0.09 -0.24 0.49 0.00 -1.64 0.00 0.00 178.16 176.68 3m1i h ARG 733 N -0.02 0.96 -0.44 1.82 3.08 -1.11 -1.31 114.38 117.36 3m1i h ARG 733 Ca 0.25 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 60.13 3m1i h ARG 733 Cb 0.40 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 3m1i h ARG 733 CO -0.54 0.64 -0.15 0.00 -1.07 0.00 0.00 179.97 178.84 3m1i h ALA 734 N 1.29 0.91 -0.36 0.04 0.00 -0.28 -2.42 119.26 118.45 3m1i h ALA 734 Ca 0.29 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 3m1i h ALA 734 Cb -0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3m1i h ALA 734 CO -0.08 0.63 -0.35 0.28 0.00 0.00 0.00 179.25 179.73 3m1i h VAL 735 N 0.73 1.28 -0.59 0.00 2.07 -0.77 -2.26 116.25 116.71 3m1i h VAL 735 Ca 0.11 -1.51 0.01 0.00 0.82 0.00 0.00 66.70 66.13 3m1i h VAL 735 Cb 0.66 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 3m1i h VAL 735 CO 0.05 0.50 0.39 0.28 0.02 0.00 0.00 177.57 178.80 3m1i h SER 736 N 0.68 0.67 -0.31 0.57 0.02 -1.00 -0.69 113.55 113.49 3m1i h SER 736 Ca 0.07 -0.02 -0.15 0.00 -0.84 0.00 0.00 61.79 60.85 3m1i h SER 736 Cb 0.90 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 3m1i h SER 736 CO 0.08 0.48 -0.37 0.77 -1.14 0.00 0.00 176.83 176.65 3m1i h SER 737 N 0.79 0.90 -0.19 3.07 4.64 -1.29 -1.61 113.55 119.85 3m1i h SER 737 Ca 0.22 -0.40 0.05 0.00 -0.47 0.00 0.00 61.79 61.19 3m1i h SER 737 Cb -0.08 -0.25 -0.06 0.00 -0.31 0.00 0.00 62.40 61.70 3m1i h SER 737 CO -0.05 1.17 -0.19 0.24 -0.87 0.00 0.00 176.83 177.13 3m1i h MET 738 N 0.70 -0.20 -0.13 4.77 2.86 -1.11 -0.54 114.93 121.29 3m1i h MET 738 Ca 0.06 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.75 3m1i h MET 738 Cb 0.94 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.61 3m1i h MET 738 CO 0.09 -0.13 -0.07 0.82 1.06 0.00 0.00 176.91 178.68 3m1i h ILE 739 N -0.21 0.79 -0.51 -1.22 2.04 -1.00 0.24 117.51 117.64 3m1i h ILE 739 Ca 0.12 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.05 3m1i h ILE 739 Cb 0.39 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 37.20 3m1i h ILE 739 CO -0.32 0.00 0.18 0.28 0.00 0.00 0.00 178.15 178.29 3m1i h SER 740 N -0.06 0.18 0.46 1.72 0.02 -1.15 -0.28 113.55 114.43 3m1i h SER 740 Ca 0.07 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 3m1i h SER 740 Cb 0.16 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.76 3m1i h SER 740 CO -0.16 0.13 -0.22 0.00 -1.14 0.00 0.00 176.83 175.43 3m1i h ALA 741 N 1.34 -0.61 -0.89 3.77 0.00 -0.93 -1.60 119.26 120.34 3m1i h ALA 741 Ca 0.25 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.07 3m1i h ALA 741 Cb 0.27 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 3m1i h ALA 741 CO -0.25 -0.83 0.58 1.96 0.00 0.00 0.00 179.25 180.70 3m1i h GLN 742 N -0.64 1.03 -0.48 0.00 1.08 -0.36 0.32 115.11 116.06 3m1i h GLN 742 Ca -0.06 -0.06 -0.08 0.00 -1.45 0.00 0.00 58.65 56.99 3m1i h GLN 742 Cb 0.48 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 27.66 3m1i h GLN 742 CO 0.10 0.68 -0.02 0.28 -0.95 0.00 0.00 178.83 178.92 3m1i h VAL 743 N 1.06 1.27 -0.44 -0.54 2.07 -1.03 0.16 116.25 118.79 3m1i h VAL 743 Ca 0.37 -1.11 -0.11 0.00 0.82 0.00 0.00 66.70 66.66 3m1i h VAL 743 Cb 0.10 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 3m1i h VAL 743 CO -0.12 0.39 -0.18 0.00 0.02 0.00 0.00 177.57 177.67 3m1i h ALA 744 N 0.92 0.84 0.00 1.67 0.00 -0.23 0.38 119.26 122.84 3m1i h ALA 744 Ca 0.13 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 3m1i h ALA 744 Cb 0.55 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3m1i h ALA 744 CO 0.03 0.64 -0.55 0.00 0.00 0.00 0.00 179.25 179.37 3m1i h ALA 745 N 1.03 0.69 0.00 0.00 0.00 -0.08 -3.38 119.26 117.52 3m1i h ALA 745 Ca 0.11 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3m1i h ALA 745 Cb 0.71 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3m1i h ALA 745 CO 0.05 0.59 -0.11 0.39 0.00 0.00 0.00 179.25 180.17 3m1i n GLU 746 N -3.17 5.00 0.00 0.00 1.02 0.51 -5.08 120.64 118.93 3m1i n GLU 746 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3m1i n GLU 746 Cb 0.72 -0.47 0.00 0.00 -0.02 0.00 0.00 31.44 31.67 3m1i n GLU 746 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3m1i n GLY 747 N 0.97 1.64 0.33 0.62 0.00 0.13 -4.38 105.19 104.51 3m1i n GLY 747 Ca 0.00 -2.00 0.17 0.00 0.00 0.00 0.00 46.02 44.18 3m1i n GLY 747 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3m1i h LEU 748 N 0.00 0.00 -2.00 0.99 3.38 -1.94 -1.08 115.31 114.66 3m1i h LEU 748 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3m1i h LEU 748 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3m1i h LEU 748 CO 0.00 0.00 -0.02 0.16 0.09 0.00 0.00 178.44 178.67 3m1i h ILE 749 N 0.00 0.97 -1.27 1.22 -0.00 -1.94 -1.91 117.51 114.59 3m1i h ILE 749 Ca 0.08 -0.07 0.37 0.00 -0.00 0.00 0.00 64.86 65.24 3m1i h ILE 749 Cb 0.45 1.04 -0.05 0.00 -0.00 0.00 0.00 36.82 38.26 3m1i h ILE 749 CO -0.00 0.02 1.01 0.00 -0.00 0.00 0.00 178.15 179.18 3m1i h ALA 750 N 1.98 3.17 0.00 0.16 0.00 -1.39 0.24 119.26 123.41 3m1i h ALA 750 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3m1i h ALA 750 Cb 0.04 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3m1i h ALA 750 CO 0.00 -1.66 0.00 1.79 0.00 0.00 0.00 179.25 179.38 3m1i h THR 751 N 0.00 0.00 -0.51 0.00 1.35 -1.53 -2.47 112.91 109.74 3m1i h THR 751 Ca 0.60 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 66.04 3m1i h THR 751 Cb 2.62 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 70.35 3m1i h THR 751 CO -0.01 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.55 3m1i n LYS 752 N -2.73 2.48 -3.60 4.72 5.02 0.83 -4.38 118.16 120.50 3m1i n LYS 752 Ca 0.01 -1.97 -0.27 0.00 -2.02 0.00 0.00 58.31 54.07 3m1i n LYS 752 Cb 0.29 -1.51 -0.03 0.00 -0.02 0.00 0.00 35.03 33.76 3m1i n LYS 752 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3m1i s THR 753 N -1.44 5.16 0.35 -0.18 -4.23 -0.93 -4.97 115.64 109.40 3m1i s THR 753 Ca 0.36 -0.34 0.04 0.00 -1.18 0.00 0.00 61.69 60.57 3m1i s THR 753 Cb 0.20 -3.76 0.21 0.00 1.34 0.00 0.00 72.50 70.50 3m1i s THR 753 CO 0.22 -0.27 1.95 -0.65 -0.54 0.00 0.00 174.62 175.33 3m1i h PRO 754 N 1.71 0.66 0.32 3.99 0.11 -1.93 -2.02 132.00 134.84 3m1i h PRO 754 Ca -0.48 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 65.54 3m1i h PRO 754 Cb 1.20 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3m1i h PRO 754 CO 0.66 0.53 -0.25 -0.22 -0.21 0.00 0.00 178.00 178.51 3m1i h LYS 755 N 0.66 -0.56 -0.10 1.05 3.11 -1.95 -1.07 116.57 117.71 3m1i h LYS 755 Ca 0.16 0.04 -0.18 0.00 -2.81 0.00 0.00 60.65 57.86 3m1i h LYS 755 Cb 0.11 0.13 -0.00 0.00 -1.00 0.00 0.00 32.23 31.46 3m1i h LYS 755 CO -0.02 -0.37 -0.70 0.28 -2.81 0.00 0.00 179.45 175.83 3m1i h VAL 756 N -0.58 1.36 -0.65 2.00 2.07 -1.72 -1.99 116.25 116.74 3m1i h VAL 756 Ca -0.02 -2.07 -0.03 0.00 0.82 0.00 0.00 66.70 65.39 3m1i h VAL 756 Cb 0.51 2.05 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 3m1i h VAL 756 CO -0.01 0.63 0.28 0.03 0.02 0.00 0.00 177.57 178.51 3m1i h ARG 757 N 0.32 0.95 -0.69 1.57 3.08 -1.38 0.32 114.38 118.54 3m1i h ARG 757 Ca -0.03 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 59.82 3m1i h ARG 757 Cb 1.28 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 31.13 3m1i h ARG 757 CO 0.12 0.76 0.21 0.78 -1.07 0.00 0.00 179.97 180.78 3m1i h GLY 758 N 1.02 1.15 0.91 0.04 0.00 -0.90 0.29 103.07 105.58 3m1i h GLY 758 Ca 0.22 -0.68 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 3m1i h GLY 758 CO -0.02 0.64 0.11 1.41 0.00 0.00 0.00 176.54 178.68 3m1i h LEU 759 N 1.00 0.40 -1.31 3.11 3.38 -0.94 -2.72 115.31 118.24 3m1i h LEU 759 Ca 0.22 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3m1i h LEU 759 Cb 0.30 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3m1i h LEU 759 CO -0.01 0.46 -0.32 0.03 0.09 0.00 0.00 178.44 178.69 3m1i h ARG 760 N 0.32 0.00 -0.65 1.13 3.08 -0.06 -2.59 114.38 115.60 3m1i h ARG 760 Ca 0.10 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 3m1i h ARG 760 Cb 0.19 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 3m1i h ARG 760 CO -0.01 0.32 0.37 1.15 -1.07 0.00 0.00 179.97 180.73 3m1i h THR 761 N 0.00 1.20 -0.25 2.04 2.02 -0.78 -0.61 112.91 116.53 3m1i h THR 761 Ca -0.00 -0.49 0.05 0.00 0.77 0.00 0.00 66.41 66.74 3m1i h THR 761 Cb 0.65 0.34 -0.05 0.00 -1.74 0.00 0.00 68.15 67.35 3m1i h THR 761 CO 0.04 0.22 -0.08 0.40 0.37 0.00 0.00 175.52 176.47 3m1i h ILE 762 N 0.89 0.70 -0.64 3.11 2.04 -1.15 0.62 117.51 123.08 3m1i h ILE 762 Ca 0.23 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.08 3m1i h ILE 762 Cb 0.02 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 3m1i h ILE 762 CO -0.04 0.00 0.35 0.11 0.00 0.00 0.00 178.15 178.57 3m1i h LYS 763 N -0.03 0.89 -0.82 2.37 1.57 -1.31 -1.81 116.57 117.44 3m1i h LYS 763 Ca 0.13 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3m1i h LYS 763 Cb 0.22 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 3m1i h LYS 763 CO -0.28 0.68 0.45 0.87 -0.57 0.00 0.00 179.45 180.60 3m1i h LYS 764 N 0.87 1.14 -0.06 3.15 1.57 -0.63 -1.61 116.57 120.99 3m1i h LYS 764 Ca 0.22 -0.13 -0.18 0.00 -1.87 0.00 0.00 60.65 58.69 3m1i h LYS 764 Cb 0.05 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 3m1i h LYS 764 CO -0.04 0.83 -0.75 0.93 -0.57 0.00 0.00 179.45 179.86 3m1i h GLU 765 N 1.14 0.37 -0.23 3.15 4.39 -0.68 -0.98 114.58 121.75 3m1i h GLU 765 Ca 0.29 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.67 3m1i h GLU 765 Cb 0.03 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 3m1i h GLU 765 CO -0.05 0.96 0.15 0.82 -1.16 0.00 0.00 179.01 179.73 3m1i h ILE 766 N 0.25 1.07 -0.83 3.13 2.04 -1.14 0.13 117.51 122.16 3m1i h ILE 766 Ca -0.03 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 3m1i h ILE 766 Cb 1.32 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 38.12 3m1i h ILE 766 CO 0.13 0.07 0.46 -0.07 0.00 0.00 0.00 178.15 178.73 3m1i h LEU 767 N 0.30 1.03 -0.62 1.44 3.38 -1.18 -2.10 115.31 117.56 3m1i h LEU 767 Ca 0.08 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3m1i h LEU 767 Cb -0.02 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 3m1i h LEU 767 CO -0.02 0.83 -0.22 0.50 0.09 0.00 0.00 178.44 179.62 3m1i h LYS 768 N 1.16 0.85 0.17 1.13 3.64 -0.95 -1.13 116.57 121.44 3m1i h LYS 768 Ca 0.29 -0.35 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 3m1i h LYS 768 Cb 0.02 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3m1i h LYS 768 CO -0.05 0.99 -0.08 1.25 -2.27 0.00 0.00 179.45 179.29 3m1i h LEU 769 N 0.74 -0.19 -0.88 5.20 5.85 -0.38 0.11 115.31 125.76 3m1i h LEU 769 Ca 0.10 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.79 3m1i h LEU 769 Cb 0.76 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.79 3m1i h LEU 769 CO 0.06 -0.07 0.58 0.58 -0.34 0.00 0.00 178.44 179.24 3m1i h VAL 770 N -0.30 1.18 -0.45 1.05 2.07 -1.23 -1.11 116.25 117.46 3m1i h VAL 770 Ca -0.02 -0.39 -0.08 0.00 0.82 0.00 0.00 66.70 67.03 3m1i h VAL 770 Cb 0.23 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.92 3m1i h VAL 770 CO 0.04 0.21 -0.02 -0.08 0.02 0.00 0.00 177.57 177.73 3m1i h GLU 771 N 1.14 0.81 -0.31 1.57 4.22 -1.10 -0.90 114.58 120.01 3m1i h GLU 771 Ca 0.34 -0.27 -0.13 0.00 0.08 0.00 0.00 59.36 59.38 3m1i h GLU 771 Cb -0.05 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3m1i h GLU 771 CO -0.10 0.88 -0.33 0.00 -2.18 0.00 0.00 179.01 177.28 3m1i h THR 772 N 0.65 1.28 0.13 0.32 1.03 -0.30 0.12 112.91 116.15 3m1i h THR 772 Ca 0.12 -1.46 -0.01 0.00 -0.01 0.00 0.00 66.41 65.05 3m1i h THR 772 Cb 0.53 1.40 0.00 0.00 -1.07 0.00 0.00 68.15 69.01 3m1i h THR 772 CO 0.03 0.47 -0.06 0.22 -0.01 0.00 0.00 175.52 176.17 3m1i h TYR 773 N 0.57 -0.17 -0.79 0.00 3.20 -1.10 -2.91 116.97 115.76 3m1i h TYR 773 Ca 0.06 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 3m1i h TYR 773 Cb 0.84 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 39.12 3m1i h TYR 773 CO 0.04 0.08 0.44 0.82 -1.64 0.00 0.00 178.16 177.90 3m1i h ILE 774 N -0.41 1.23 -0.94 1.81 2.04 -1.05 0.12 117.51 120.31 3m1i h ILE 774 Ca -0.02 -0.58 0.26 0.00 1.00 0.00 0.00 64.86 65.52 3m1i h ILE 774 Cb 0.33 0.16 -0.05 0.00 -0.74 0.00 0.00 36.82 36.52 3m1i h ILE 774 CO 0.03 0.26 0.66 -1.28 0.00 0.00 0.00 178.15 177.82 3m1i h SER 775 N 1.11 0.13 -0.00 1.72 0.87 -0.87 -2.69 113.55 113.82 3m1i h SER 775 Ca 0.28 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 3m1i h SER 775 Cb 0.02 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 3m1i h SER 775 CO -0.05 0.04 -0.06 0.29 -0.53 0.00 0.00 176.83 176.52 3m1i n LYS 776 N -4.35 1.60 -1.78 2.24 5.02 -0.11 -5.05 118.16 115.73 3m1i n LYS 776 Ca 0.20 -0.53 -0.39 0.00 -2.02 0.00 0.00 58.31 55.58 3m1i n LYS 776 Cb 0.92 -0.96 0.04 0.00 -0.02 0.00 0.00 35.03 35.01 3m1i n LYS 776 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3m1i s ALA 777 N -0.72 2.93 -0.23 7.82 0.00 0.22 -3.76 121.76 128.02 3m1i s ALA 777 Ca 0.04 1.38 0.07 0.00 0.00 0.00 0.00 51.96 53.45 3m1i s ALA 777 Cb 0.04 -3.58 -0.19 0.00 0.00 0.00 0.00 23.12 19.39 3m1i s ALA 777 CO 0.09 -1.34 -0.12 0.54 0.00 0.00 0.00 175.76 174.93 3m1i n ARG 778 N -0.82 0.69 -2.87 0.00 1.74 -1.26 -4.77 116.66 109.36 3m1i n ARG 778 Ca 0.09 0.09 -0.43 0.00 -0.77 0.00 0.00 57.85 56.83 3m1i n ARG 778 Cb 0.44 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.36 3m1i n ARG 778 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3m1i s ASN 779 N -6.07 6.65 0.54 0.55 3.04 -1.26 -4.84 114.94 113.56 3m1i s ASN 779 Ca -0.25 -2.05 0.33 0.00 0.04 0.00 0.00 52.86 50.93 3m1i s ASN 779 Cb 0.08 -2.42 1.31 0.00 -1.54 0.00 0.00 41.25 38.67 3m1i s ASN 779 CO 0.66 -1.10 1.96 -0.07 -3.04 0.00 0.00 177.10 175.51 3m1i h LEU 780 N 10.70 0.00 -0.27 3.21 3.38 -2.00 -3.02 115.31 127.31 3m1i h LEU 780 Ca 0.18 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 3m1i h LEU 780 Cb 1.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 3m1i h LEU 780 CO 1.17 0.00 -0.18 0.44 0.09 0.00 0.00 178.44 179.95 3m1i h ASP 781 N 0.00 0.63 -0.34 -0.43 3.32 -2.00 -1.71 116.42 115.90 3m1i h ASP 781 Ca 0.00 -0.44 -0.07 0.00 0.02 0.00 0.00 57.03 56.55 3m1i h ASP 781 Cb 0.54 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 3m1i h ASP 781 CO 0.00 0.93 -0.01 0.44 -1.72 0.00 0.00 179.24 178.89 3m1i h ASP 782 N 0.34 0.68 -0.27 6.45 3.45 -1.96 0.31 116.42 125.42 3m1i h ASP 782 Ca 0.05 -0.16 0.05 0.00 0.43 0.00 0.00 57.03 57.41 3m1i h ASP 782 Cb 0.72 -0.18 -0.05 0.00 -0.56 0.00 0.00 39.33 39.26 3m1i h ASP 782 CO 0.05 0.76 -0.02 0.58 -1.57 0.00 0.00 179.24 179.04 3m1i h VAL 783 N 0.67 0.78 -0.08 -1.35 2.07 -1.39 0.24 116.25 117.19 3m1i h VAL 783 Ca 0.13 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.61 3m1i h VAL 783 Cb 0.43 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 3m1i h VAL 783 CO 0.02 0.01 -0.03 0.58 0.02 0.00 0.00 177.57 178.16 3m1i h VAL 784 N 0.06 1.31 0.00 2.57 2.07 -1.11 -0.84 116.25 120.31 3m1i h VAL 784 Ca 0.13 -1.02 -0.09 0.00 0.82 0.00 0.00 66.70 66.54 3m1i h VAL 784 Cb 0.18 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 3m1i h VAL 784 CO -0.24 0.29 -0.82 0.11 0.02 0.00 0.00 177.57 176.92 3m1i h LYS 785 N -0.19 0.00 0.00 1.57 6.56 -0.84 -3.35 116.57 120.33 3m1i h LYS 785 Ca 0.02 0.00 -0.19 0.00 -1.06 0.00 0.00 60.65 59.42 3m1i h LYS 785 Cb 0.47 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.10 3m1i h LYS 785 CO 0.01 0.26 -1.67 0.28 -2.06 0.00 0.00 179.45 176.27 3m1i n VAL 786 N -2.99 0.67 -0.02 0.50 0.31 0.83 -4.88 118.33 112.75 3m1i n VAL 786 Ca -0.02 -0.23 -0.21 0.00 -0.01 0.00 0.00 64.34 63.87 3m1i n VAL 786 Cb 0.70 -1.17 -0.13 0.00 -0.91 0.00 0.00 33.84 32.33 3m1i n VAL 786 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3m1i h LEU 787 N -0.15 0.30 -0.28 7.52 3.38 -1.21 -3.41 115.31 121.45 3m1i h LEU 787 Ca -0.28 -0.80 -0.11 0.00 0.09 0.00 0.00 57.88 56.78 3m1i h LEU 787 Cb 1.36 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 3m1i h LEU 787 CO -0.09 1.66 -0.25 0.58 0.09 0.00 0.00 178.44 180.43 3m1i h VAL 788 N -0.36 1.30 -0.21 1.22 2.07 -1.31 -2.31 116.25 116.66 3m1i h VAL 788 Ca -0.35 -1.41 -0.14 0.00 0.82 0.00 0.00 66.70 65.62 3m1i h VAL 788 Cb 1.73 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 3m1i h VAL 788 CO 0.00 0.45 -0.43 -0.08 0.02 0.00 0.00 177.57 177.53 3m1i h GLU 789 N 0.40 0.66 -0.12 1.57 4.57 -1.83 0.21 114.58 120.04 3m1i h GLU 789 Ca 0.05 -0.43 -0.08 0.00 -1.18 0.00 0.00 59.36 57.72 3m1i h GLU 789 Cb 0.81 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.45 3m1i h GLU 789 CO 0.06 1.05 -0.28 -1.35 -1.18 0.00 0.00 179.01 177.32 3m1i h PRO 790 N 0.35 0.22 0.31 0.92 0.11 -1.79 -2.64 132.00 129.49 3m1i h PRO 790 Ca 0.00 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 66.02 3m1i h PRO 790 Cb 1.04 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3m1i h PRO 790 CO 0.10 0.49 -0.15 1.25 -0.21 0.00 0.00 178.00 179.47 3m1i h LEU 791 N 0.20 -0.35 -0.77 2.35 5.85 -1.07 -1.09 115.31 120.43 3m1i h LEU 791 Ca 0.03 -0.06 0.11 0.00 0.84 0.00 0.00 57.88 58.80 3m1i h LEU 791 Cb 0.60 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.64 3m1i h LEU 791 CO 0.04 -0.16 0.40 -0.07 -0.34 0.00 0.00 178.44 178.31 3m1i h LEU 792 N -0.52 0.51 -0.69 2.25 3.38 -0.97 -1.00 115.31 118.27 3m1i h LEU 792 Ca -0.04 0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 3m1i h LEU 792 Cb 0.39 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3m1i h LEU 792 CO 0.07 0.27 -0.60 -1.13 0.09 0.00 0.00 178.44 177.14 3m1i h ASN 793 N 0.64 0.21 0.50 -0.43 -0.73 -1.38 -1.43 115.58 112.95 3m1i h ASN 793 Ca 0.39 -0.12 -0.17 0.00 1.87 0.00 0.00 56.30 58.27 3m1i h ASN 793 Cb 0.46 -0.06 -0.01 0.00 0.27 0.00 0.00 38.32 38.98 3m1i h ASN 793 CO -0.30 0.76 -0.75 0.00 -0.37 0.00 0.00 177.43 176.77 3m1i h ALA 794 N 1.24 0.67 0.00 1.57 0.00 -0.62 -3.41 119.26 118.71 3m1i h ALA 794 Ca -0.01 -0.64 -0.36 0.00 0.00 0.00 0.00 54.91 53.90 3m1i h ALA 794 Cb 1.09 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.74 3m1i h ALA 794 CO 0.09 0.84 -2.37 1.33 0.00 0.00 0.00 179.25 179.14 3m1i n VAL 795 N -3.75 1.37 -0.03 0.00 0.24 -0.43 -4.46 118.33 111.27 3m1i n VAL 795 Ca -0.03 -0.61 -0.15 0.00 -2.04 0.00 0.00 64.34 61.51 3m1i n VAL 795 Cb 0.72 -1.13 -0.12 0.00 -1.47 0.00 0.00 33.84 31.84 3m1i n VAL 795 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3m1i h LEU 796 N 0.00 0.21 -0.45 1.34 3.38 -1.49 -1.95 115.31 116.34 3m1i h LEU 796 Ca -0.54 -0.81 -0.14 0.00 0.09 0.00 0.00 57.88 56.48 3m1i h LEU 796 Cb 1.93 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.61 3m1i h LEU 796 CO -0.05 1.00 -0.25 -0.08 0.09 0.00 0.00 178.44 179.14 3m1i h GLU 797 N -0.56 0.96 -0.63 1.13 4.81 -1.82 -0.54 114.58 117.94 3m1i h GLU 797 Ca -0.03 -0.43 0.06 0.00 -0.13 0.00 0.00 59.36 58.82 3m1i h GLU 797 Cb 1.04 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.35 3m1i h GLU 797 CO 0.05 1.10 0.34 0.22 -0.73 0.00 0.00 179.01 180.00 3m1i h ASP 798 N 0.81 0.50 0.32 1.04 3.58 -1.77 0.77 116.42 121.67 3m1i h ASP 798 Ca 0.10 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.56 3m1i h ASP 798 Cb 0.83 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.82 3m1i h ASP 798 CO 0.07 0.33 -0.15 0.22 -2.88 0.00 0.00 179.24 176.82 3m1i h TYR 799 N 0.64 -0.40 -0.51 0.28 3.20 -0.77 -2.72 116.97 116.69 3m1i h TYR 799 Ca 0.29 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.15 3m1i h TYR 799 Cb 0.18 0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.56 3m1i h TYR 799 CO -0.09 -0.19 0.33 1.98 -1.64 0.00 0.00 178.16 178.56 3m1i h MET 800 N -0.52 0.67 -0.30 1.82 4.05 -0.84 -3.03 114.93 116.79 3m1i h MET 800 Ca -0.04 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.33 3m1i h MET 800 Cb 0.39 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 3m1i h MET 800 CO 0.07 0.45 0.00 0.09 0.23 0.00 0.00 176.91 177.75 3m1i n ASN 801 N -4.45 2.61 -4.89 1.39 3.02 0.24 -4.87 115.26 108.31 3m1i n ASN 801 Ca 0.05 -1.88 -0.30 0.00 -0.03 0.00 0.00 54.58 52.42 3m1i n ASN 801 Cb 0.05 -0.19 -0.04 0.00 -0.61 0.00 0.00 39.78 38.99 3m1i n ASN 801 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3m1i s ASN 802 N -1.48 6.51 0.73 6.41 0.01 -1.04 -5.05 114.94 121.04 3m1i s ASN 802 Ca 0.35 0.81 -0.15 0.00 -0.71 0.00 0.00 52.86 53.17 3m1i s ASN 802 Cb 0.20 -2.18 0.04 0.00 0.41 0.00 0.00 41.25 39.72 3m1i s ASN 802 CO 0.28 -0.17 1.21 0.68 -1.51 0.00 0.00 177.10 177.60 3m1i s VAL 803 N -2.01 2.26 0.31 1.60 -7.23 -1.26 -4.82 120.40 109.25 3m1i s VAL 803 Ca 0.46 0.13 0.08 0.00 -1.81 0.00 0.00 61.98 60.84 3m1i s VAL 803 Cb -0.11 -2.71 0.31 0.00 0.56 0.00 0.00 36.38 34.43 3m1i s VAL 803 CO 0.27 -0.07 1.72 -0.65 -0.31 0.00 0.00 175.10 176.06 3m1i h PRO 804 N -0.31 0.51 0.00 4.82 0.11 -1.96 -1.71 132.00 133.46 3m1i h PRO 804 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3m1i h PRO 804 Cb 1.30 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3m1i h PRO 804 CO 0.50 0.34 0.00 -0.44 -0.21 0.00 0.00 178.00 178.18 3m1i h ASP 805 N 0.52 0.00 -0.14 -2.05 3.32 -2.00 -2.62 116.42 113.46 3m1i h ASP 805 Ca 0.63 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.68 3m1i h ASP 805 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3m1i h ASP 805 CO -0.50 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.02 3m1i n ALA 806 N -1.84 2.44 -2.49 3.45 0.00 -0.65 -4.95 120.51 116.47 3m1i n ALA 806 Ca 0.02 -0.78 -0.40 0.00 0.00 0.00 0.00 53.44 52.28 3m1i n ALA 806 Cb 0.27 -0.76 -0.04 0.00 0.00 0.00 0.00 19.45 18.92 3m1i n ALA 806 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3m1i s ARG 807 N -1.67 4.53 -0.22 0.00 0.52 -0.99 -4.94 118.95 116.18 3m1i s ARG 807 Ca 0.29 1.16 -0.21 0.00 -0.52 0.00 0.00 55.73 56.46 3m1i s ARG 807 Cb 0.19 -3.40 -0.02 0.00 0.52 0.00 0.00 34.95 32.24 3m1i s ARG 807 CO 0.28 0.17 0.63 -0.51 0.02 0.00 0.00 175.30 175.89 3m1i s ASP 808 N 0.29 6.64 0.54 0.23 1.01 -1.26 -4.94 116.67 119.17 3m1i s ASP 808 Ca 0.42 0.78 0.20 0.00 0.71 0.00 0.00 52.55 54.66 3m1i s ASP 808 Cb -0.21 -2.34 1.41 0.00 1.01 0.00 0.00 42.92 42.80 3m1i s ASP 808 CO 0.24 -0.32 2.16 0.00 0.21 0.00 0.00 175.17 177.46 3m1i h ALA 809 N 7.67 1.93 -0.15 5.23 0.00 -1.95 -1.37 119.26 130.61 3m1i h ALA 809 Ca -0.29 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.66 3m1i h ALA 809 Cb 1.13 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3m1i h ALA 809 CO 0.77 -0.07 0.16 0.93 0.00 0.00 0.00 179.25 181.04 3m1i h GLU 810 N 0.00 0.00 -0.85 0.00 3.07 -1.95 0.13 114.58 114.99 3m1i h GLU 810 Ca 0.02 0.00 0.04 0.00 -0.50 0.00 0.00 59.36 58.92 3m1i h GLU 810 Cb 0.10 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 27.96 3m1i h GLU 810 CO -0.00 0.00 0.54 0.28 -1.40 0.00 0.00 179.01 178.43 3m1i h VAL 811 N 0.00 1.12 -0.15 3.13 2.07 -1.66 -0.32 116.25 120.44 3m1i h VAL 811 Ca 0.07 -0.36 -0.19 0.00 0.82 0.00 0.00 66.70 67.05 3m1i h VAL 811 Cb 0.38 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 3m1i h VAL 811 CO -0.00 0.19 -0.67 -0.07 0.02 0.00 0.00 177.57 177.03 3m1i h LEU 812 N 1.04 0.71 -0.34 2.57 3.38 -1.14 -1.59 115.31 119.95 3m1i h LEU 812 Ca 0.35 -0.43 0.05 0.00 0.09 0.00 0.00 57.88 57.93 3m1i h LEU 812 Cb 0.04 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 3m1i h LEU 812 CO -0.13 1.19 0.09 -1.13 0.09 0.00 0.00 178.44 178.55 3m1i h ASN 813 N 0.44 0.05 -0.71 -0.43 -1.24 -1.28 -0.38 115.58 112.04 3m1i h ASN 813 Ca -0.02 0.05 0.01 0.00 0.71 0.00 0.00 56.30 57.04 3m1i h ASN 813 Cb 1.26 0.06 -0.04 0.00 0.73 0.00 0.00 38.32 40.33 3m1i h ASN 813 CO 0.13 0.07 0.47 0.00 -1.29 0.00 0.00 177.43 176.80 3m1i h MET 815 N 0.96 0.66 -0.65 0.00 2.86 -1.03 -1.74 114.93 115.99 3m1i h MET 815 Ca 0.26 -0.15 -0.04 0.00 -2.06 0.00 0.00 59.70 57.72 3m1i h MET 815 Cb -0.11 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.43 3m1i h MET 815 CO -0.06 0.65 0.26 0.00 1.06 0.00 0.00 176.91 178.83 3m1i h THR 816 N 0.63 1.24 -0.29 2.22 1.03 -0.58 -0.21 112.91 116.94 3m1i h THR 816 Ca 0.13 -0.73 0.06 0.00 -0.01 0.00 0.00 66.41 65.86 3m1i h THR 816 Cb 0.35 0.50 -0.05 0.00 -1.07 0.00 0.00 68.15 67.88 3m1i h THR 816 CO 0.01 0.29 -0.05 0.74 -0.01 0.00 0.00 175.52 176.50 3m1i h THR 817 N 0.91 0.73 -0.29 0.00 2.02 -1.33 0.22 112.91 115.16 3m1i h THR 817 Ca 0.22 -0.01 0.05 0.00 0.77 0.00 0.00 66.41 67.44 3m1i h THR 817 Cb 0.20 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 3m1i h THR 817 CO -0.02 0.01 0.02 0.58 0.37 0.00 0.00 175.52 176.48 3m1i h VAL 818 N 0.03 0.81 -0.32 3.16 2.07 -1.11 -1.06 116.25 119.82 3m1i h VAL 818 Ca 0.14 -0.04 -0.14 0.00 0.82 0.00 0.00 66.70 67.48 3m1i h VAL 818 Cb 0.21 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3m1i h VAL 818 CO -0.28 0.02 -0.36 0.58 0.02 0.00 0.00 177.57 177.55 3m1i h VAL 819 N 0.11 1.29 -0.61 2.57 2.07 -0.80 -1.30 116.25 119.59 3m1i h VAL 819 Ca 0.14 -1.54 0.02 0.00 0.82 0.00 0.00 66.70 66.14 3m1i h VAL 819 Cb 0.17 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 3m1i h VAL 819 CO -0.22 0.50 0.40 -0.08 0.02 0.00 0.00 177.57 178.20 3m1i h GLU 820 N 0.58 0.74 0.10 1.57 4.22 -0.25 0.17 114.58 121.72 3m1i h GLU 820 Ca 0.04 -0.04 -0.36 0.00 0.08 0.00 0.00 59.36 59.08 3m1i h GLU 820 Cb 0.95 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 3m1i h GLU 820 CO 0.09 0.49 -2.01 1.17 -2.18 0.00 0.00 179.01 176.57 3m1i n LYS 821 N -4.45 0.73 0.00 1.92 3.00 -0.43 -4.60 118.16 114.33 3m1i n LYS 821 Ca 0.07 0.27 0.00 0.00 -0.00 0.00 0.00 58.31 58.65 3m1i n LYS 821 Cb 0.09 -1.69 0.00 0.00 0.00 0.00 0.00 35.03 33.43 3m1i n LYS 821 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 3m1i n VAL 822 N -3.53 0.20 -0.20 3.15 3.14 -0.51 -4.81 118.33 115.76 3m1i n VAL 822 Ca -0.34 -0.29 -0.04 0.00 -2.96 0.00 0.00 64.34 60.72 3m1i n VAL 822 Cb 1.01 1.20 0.07 0.00 -1.06 0.00 0.00 33.84 35.06 3m1i n VAL 822 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 3m1i h GLY 823 N 0.00 0.85 1.06 7.55 0.00 -0.45 -0.33 103.07 111.75 3m1i h GLY 823 Ca 0.00 -0.25 0.05 0.00 0.00 0.00 0.00 47.33 47.13 3m1i h GLY 823 CO 0.00 0.18 0.42 1.12 0.00 0.00 0.00 176.54 178.26 3m1i h HIS 824 N 0.66 0.00 -0.00 5.60 2.07 -1.79 -2.03 115.15 119.65 3m1i h HIS 824 Ca 0.25 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.77 3m1i h HIS 824 Cb 0.10 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.08 3m1i h HIS 824 CO -0.07 0.00 -0.92 -1.33 -3.07 0.00 0.00 177.93 172.54 3m1i n MET 825 N -3.17 0.35 -2.86 5.12 2.81 -0.15 -4.63 117.12 114.60 3m1i n MET 825 Ca 0.02 -0.08 -0.20 0.00 -1.81 0.00 0.00 57.70 55.63 3m1i n MET 825 Cb 0.52 -1.46 -0.01 0.00 -0.71 0.00 0.00 33.22 31.55 3m1i n MET 825 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 3m1i n ILE 826 N -1.36 1.49 -0.25 2.02 -5.35 -0.76 -4.94 119.36 110.20 3m1i n ILE 826 Ca 0.04 -4.58 0.21 0.00 -0.27 0.00 0.00 62.75 58.16 3m1i n ILE 826 Cb 0.33 -0.56 0.54 0.00 -1.74 0.00 0.00 39.64 38.21 3m1i n ILE 826 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 3m1i h PRO 827 N 2.91 0.33 0.01 6.28 0.13 -1.82 0.15 132.00 139.99 3m1i h PRO 827 Ca 0.10 -0.02 -0.19 0.00 -0.87 0.00 0.00 66.00 65.02 3m1i h PRO 827 Cb 0.88 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.91 3m1i h PRO 827 CO 0.66 0.22 -0.91 1.96 -0.23 0.00 0.00 178.00 179.70 3m1i h GLN 828 N 0.34 0.06 -0.45 0.86 4.20 -1.93 -2.70 115.11 115.50 3m1i h GLN 828 Ca 0.49 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 59.05 3m1i h GLN 828 Cb 1.34 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.12 3m1i h GLN 828 CO -0.18 0.92 -0.07 0.78 -0.67 0.00 0.00 178.83 179.62 3m1i h GLY 829 N 2.42 0.83 0.98 3.46 0.00 -1.19 -1.64 103.07 107.92 3m1i h GLY 829 Ca -0.02 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 3m1i h GLY 829 CO 0.12 0.55 0.25 -2.08 0.00 0.00 0.00 176.54 175.39 3m1i h VAL 830 N 0.71 1.18 -0.51 4.60 2.07 -0.81 -1.20 116.25 122.29 3m1i h VAL 830 Ca 0.13 -0.48 0.07 0.00 0.82 0.00 0.00 66.70 67.24 3m1i h VAL 830 Cb 0.53 0.60 -0.06 0.00 -1.52 0.00 0.00 31.29 30.84 3m1i h VAL 830 CO 0.03 0.19 0.16 0.40 0.02 0.00 0.00 177.57 178.37 3m1i h ILE 831 N 0.64 0.79 -0.85 4.57 2.04 -1.28 -1.03 117.51 122.40 3m1i h ILE 831 Ca 0.17 -0.11 0.07 0.00 1.00 0.00 0.00 64.86 65.99 3m1i h ILE 831 Cb 0.08 0.44 -0.07 0.00 -0.74 0.00 0.00 36.82 36.54 3m1i h ILE 831 CO -0.02 0.06 0.51 -0.07 0.00 0.00 0.00 178.15 178.63 3m1i h LEU 832 N 0.32 0.78 0.24 1.44 3.38 -0.74 -0.78 115.31 119.95 3m1i h LEU 832 Ca 0.25 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 3m1i h LEU 832 Cb 0.29 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3m1i h LEU 832 CO -0.27 0.48 -0.12 0.40 0.09 0.00 0.00 178.44 179.02 3m1i h ILE 833 N 0.91 0.77 -0.60 1.22 2.04 -0.25 -0.59 117.51 121.00 3m1i h ILE 833 Ca 0.38 -0.03 0.08 0.00 1.00 0.00 0.00 64.86 66.30 3m1i h ILE 833 Cb 0.24 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 3m1i h ILE 833 CO -0.20 0.01 0.26 0.25 0.00 0.00 0.00 178.15 178.47 3m1i h LEU 834 N -0.34 0.31 -1.21 1.44 5.85 -1.11 -1.10 115.31 119.15 3m1i h LEU 834 Ca -0.03 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 3m1i h LEU 834 Cb 0.26 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3m1i h LEU 834 CO 0.05 0.19 0.02 1.56 -0.34 0.00 0.00 178.44 179.92 3m1i h GLN 835 N 0.47 0.56 0.00 1.25 4.20 -0.74 -0.69 115.11 120.16 3m1i h GLN 835 Ca 0.29 -0.12 -0.16 0.00 0.06 0.00 0.00 58.65 58.73 3m1i h GLN 835 Cb 0.31 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 3m1i h GLN 835 CO -0.26 0.57 -1.13 0.77 -0.67 0.00 0.00 178.83 178.11 3m1i h SER 836 N 0.54 0.00 0.00 1.46 0.02 -0.22 -3.40 113.55 111.95 3m1i h SER 836 Ca 0.12 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 3m1i h SER 836 Cb 0.32 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 3m1i h SER 836 CO 0.01 0.61 -1.34 1.33 -1.14 0.00 0.00 176.83 176.30 3m1i n VAL 837 N -3.03 0.07 0.31 2.27 0.24 -0.50 -4.16 118.33 113.52 3m1i n VAL 837 Ca -0.06 -0.18 -0.12 0.00 -2.04 0.00 0.00 64.34 61.94 3m1i n VAL 837 Cb 0.83 0.16 -0.06 0.00 -1.47 0.00 0.00 33.84 33.30 3m1i n VAL 837 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 3m1i h PHE 838 N 0.00 -0.74 -0.57 6.34 3.57 -1.31 -1.40 116.94 122.83 3m1i h PHE 838 Ca -0.03 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.36 3m1i h PHE 838 Cb 0.48 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.44 3m1i h PHE 838 CO 0.00 -0.46 -0.01 0.93 -2.23 0.00 0.00 178.31 176.54 3m1i h GLU 839 N -0.96 0.99 -0.01 1.11 5.08 -1.85 -1.49 114.58 117.44 3m1i h GLU 839 Ca -0.08 -0.31 -0.17 0.00 -1.00 0.00 0.00 59.36 57.80 3m1i h GLU 839 Cb 0.61 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 3m1i h GLU 839 CO 0.13 0.98 -0.78 0.00 -1.00 0.00 0.00 179.01 178.34 3m1i h THR 841 N 0.08 1.31 -0.65 0.00 2.02 -1.09 -3.08 112.91 111.49 3m1i h THR 841 Ca -0.02 -1.40 0.08 0.00 0.77 0.00 0.00 66.41 65.83 3m1i h THR 841 Cb 1.37 1.61 -0.06 0.00 -1.74 0.00 0.00 68.15 69.33 3m1i h THR 841 CO 0.11 0.44 0.32 0.25 0.37 0.00 0.00 175.52 177.02 3m1i h LEU 842 N 0.37 0.44 -2.18 2.58 5.85 -1.18 0.41 115.31 121.59 3m1i h LEU 842 Ca 0.05 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.82 3m1i h LEU 842 Cb 0.80 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 3m1i h LEU 842 CO 0.06 0.27 0.02 -0.78 -0.34 0.00 0.00 178.44 177.68 3m1i h ASP 843 N 0.58 0.00 0.80 1.25 1.82 -1.31 -1.40 116.42 118.16 3m1i h ASP 843 Ca 0.31 0.00 -0.18 0.00 -0.39 0.00 0.00 57.03 56.77 3m1i h ASP 843 Cb 0.28 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.26 3m1i h ASP 843 CO -0.23 0.00 -0.83 0.24 -1.61 0.00 0.00 179.24 176.81 3m1i h MET 844 N 0.00 0.02 -0.23 0.28 2.86 -0.83 -3.37 114.93 113.66 3m1i h MET 844 Ca 0.01 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3m1i h MET 844 Cb 0.06 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.73 3m1i h MET 844 CO -0.00 0.84 0.00 0.44 1.06 0.00 0.00 176.91 179.25 3m1i n ILE 845 N -3.57 0.54 -0.58 -1.22 -5.35 -0.74 -4.58 119.36 103.87 3m1i n ILE 845 Ca -0.01 -0.77 0.08 0.00 -0.27 0.00 0.00 62.75 61.78 3m1i n ILE 845 Cb 0.79 0.86 0.27 0.00 -1.74 0.00 0.00 39.64 39.82 3m1i n ILE 845 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 3m1i n ASN 846 N 0.72 3.94 -0.03 7.28 6.94 -0.60 -4.28 115.26 129.22 3m1i n ASN 846 Ca 0.11 -2.46 -0.12 0.00 -0.02 0.00 0.00 54.58 52.09 3m1i n ASN 846 Cb 0.40 -0.46 -0.14 0.00 -2.36 0.00 0.00 39.78 37.22 3m1i n ASN 846 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3m1i n LYS 847 N 0.49 0.67 -3.00 -3.83 5.02 -1.26 -5.04 118.16 111.21 3m1i n LYS 847 Ca 0.20 0.24 -0.07 0.00 -2.02 0.00 0.00 58.31 56.65 3m1i n LYS 847 Cb 0.74 -1.72 0.01 0.00 -0.02 0.00 0.00 35.03 34.04 3m1i n LYS 847 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3m1i n ASP 848 N -3.11 -1.33 -0.59 4.39 3.85 -1.26 -5.05 116.55 113.44 3m1i n ASP 848 Ca -0.24 -2.16 0.11 0.00 -0.71 0.00 0.00 54.79 51.79 3m1i n ASP 848 Cb 1.06 2.29 0.02 0.00 -1.35 0.00 0.00 41.12 43.14 3m1i n ASP 848 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 3m1i n PHE 849 N -0.37 0.00 -0.10 2.11 3.72 -1.26 -4.64 117.46 116.91 3m1i n PHE 849 Ca -0.04 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.20 3m1i n PHE 849 Cb 0.40 -0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.86 3m1i n PHE 849 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3m1i n THR 850 N 0.25 1.11 -2.03 4.37 -2.24 -1.26 -4.99 114.28 109.49 3m1i n THR 850 Ca 0.10 -0.38 -0.37 0.00 -2.27 0.00 0.00 64.05 61.13 3m1i n THR 850 Cb 0.49 -1.35 0.02 0.00 -2.10 0.00 0.00 70.33 67.39 3m1i n THR 850 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3m1i s GLU 851 N -2.38 3.37 -1.06 -0.78 2.12 -1.26 -3.93 118.70 114.78 3m1i s GLU 851 Ca -0.27 1.96 -0.14 0.00 0.36 0.00 0.00 54.97 56.88 3m1i s GLU 851 Cb 0.08 -2.26 -0.02 0.00 0.26 0.00 0.00 34.13 32.18 3m1i s GLU 851 CO 0.42 -0.92 0.81 0.66 -0.54 0.00 0.00 175.26 175.69 3m1i n TYR 852 N -0.90 -2.16 0.00 5.30 4.02 -1.26 -4.84 117.16 117.33 3m1i n TYR 852 Ca 0.10 0.63 -0.04 0.00 -0.01 0.00 0.00 57.90 58.57 3m1i n TYR 852 Cb 0.47 -3.64 0.17 0.00 -0.02 0.00 0.00 39.34 36.33 3m1i n TYR 852 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3m1i h PRO 853 N -1.40 0.52 -0.47 -0.72 0.13 -1.95 -2.47 132.00 125.64 3m1i h PRO 853 Ca -0.59 -0.21 -0.11 0.00 -0.87 0.00 0.00 66.00 64.22 3m1i h PRO 853 Cb 1.32 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 3m1i h PRO 853 CO 0.45 0.75 -0.15 0.93 -0.23 0.00 0.00 178.00 179.75 3m1i h GLU 854 N 0.45 0.88 -0.26 0.86 5.08 -1.94 -2.55 114.58 117.11 3m1i h GLU 854 Ca 0.06 -0.33 -0.09 0.00 -1.00 0.00 0.00 59.36 58.01 3m1i h GLU 854 Cb 0.72 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 3m1i h GLU 854 CO 0.06 0.97 -0.21 0.45 -1.00 0.00 0.00 179.01 179.27 3m1i h HIS 855 N 0.78 0.52 -0.26 4.33 3.86 -1.85 -0.35 115.15 122.19 3m1i h HIS 855 Ca 0.12 -0.10 -0.07 0.00 -1.16 0.00 0.00 60.37 59.16 3m1i h HIS 855 Cb 0.67 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 3m1i h HIS 855 CO 0.04 0.65 -0.12 -0.09 0.86 0.00 0.00 177.93 179.27 3m1i h ARG 856 N 0.42 0.54 0.04 2.45 2.43 -1.36 0.25 114.38 119.15 3m1i h ARG 856 Ca 0.07 -0.24 -0.00 0.00 -0.81 0.00 0.00 59.98 59.00 3m1i h ARG 856 Cb 0.61 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 3m1i h ARG 856 CO 0.04 0.79 -0.02 0.28 -1.51 0.00 0.00 179.97 179.56 3m1i h VAL 857 N 0.28 1.14 -0.28 0.20 2.07 -1.08 -3.01 116.25 115.57 3m1i h VAL 857 Ca 0.06 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 66.93 3m1i h VAL 857 Cb 0.63 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 3m1i h VAL 857 CO 0.04 0.15 -0.05 -0.33 0.02 0.00 0.00 177.57 177.39 3m1i h GLU 858 N -0.32 0.44 -0.19 1.57 4.39 -0.94 -2.57 114.58 116.97 3m1i h GLU 858 Ca -0.01 -0.10 0.02 0.00 0.34 0.00 0.00 59.36 59.62 3m1i h GLU 858 Cb 0.29 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 3m1i h GLU 858 CO 0.01 0.52 0.05 0.35 -1.16 0.00 0.00 179.01 178.77 3m1i h PHE 859 N 0.42 0.09 -0.01 4.33 3.57 -0.47 -0.39 116.94 124.47 3m1i h PHE 859 Ca 0.09 0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.43 3m1i h PHE 859 Cb 0.37 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 3m1i h PHE 859 CO 0.01 0.04 -0.76 1.88 -2.23 0.00 0.00 178.31 177.24 3m1i h TYR 860 N 0.13 0.18 -0.19 0.41 0.05 -1.44 0.22 116.97 116.35 3m1i h TYR 860 Ca 0.08 -0.09 0.03 0.00 0.05 0.00 0.00 58.73 58.80 3m1i h TYR 860 Cb 0.07 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 37.76 3m1i h TYR 860 CO -0.13 0.84 0.01 0.87 -1.05 0.00 0.00 178.16 178.70 3m1i h LYS 861 N 0.08 0.08 -0.22 4.88 1.57 -1.29 0.70 116.57 122.36 3m1i h LYS 861 Ca -0.02 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3m1i h LYS 861 Cb 1.34 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.62 3m1i h LYS 861 CO 0.11 0.05 0.09 1.25 -0.57 0.00 0.00 179.45 180.38 3m1i h LEU 862 N 0.08 0.31 -0.96 2.94 5.85 -0.79 -1.94 115.31 120.80 3m1i h LEU 862 Ca 0.09 -0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.73 3m1i h LEU 862 Cb 0.10 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 40.97 3m1i h LEU 862 CO -0.13 0.39 0.60 -0.07 -0.34 0.00 0.00 178.44 178.89 3m1i h LEU 863 N 0.21 0.92 -0.14 2.25 3.38 -0.90 -0.73 115.31 120.30 3m1i h LEU 863 Ca 0.08 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3m1i h LEU 863 Cb 0.17 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3m1i h LEU 863 CO -0.01 0.55 0.08 0.50 0.09 0.00 0.00 178.44 179.65 3m1i h LYS 864 N 1.04 0.16 -0.31 1.13 3.64 -0.61 0.06 116.57 121.67 3m1i h LYS 864 Ca 0.44 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.69 3m1i h LYS 864 Cb 0.30 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3m1i h LYS 864 CO -0.21 0.11 -0.32 0.28 -2.27 0.00 0.00 179.45 177.04 3m1i h VAL 865 N 0.17 1.28 -0.34 2.00 2.07 -0.84 -1.11 116.25 119.48 3m1i h VAL 865 Ca 0.06 -1.45 -0.02 0.00 0.82 0.00 0.00 66.70 66.11 3m1i h VAL 865 Cb -0.00 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3m1i h VAL 865 CO -0.03 0.47 0.14 0.40 0.02 0.00 0.00 177.57 178.57 3m1i h ILE 866 N 0.57 1.18 -0.08 4.57 2.04 -1.08 -0.17 117.51 124.54 3m1i h ILE 866 Ca 0.06 -0.55 -0.03 0.00 1.00 0.00 0.00 64.86 65.34 3m1i h ILE 866 Cb 0.82 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 3m1i h ILE 866 CO 0.07 0.20 -0.10 -1.13 0.00 0.00 0.00 178.15 177.18 3m1i h ASN 867 N 0.41 0.11 -0.03 1.72 -1.24 -0.70 0.11 115.58 115.95 3m1i h ASN 867 Ca 0.12 -0.02 -0.14 0.00 0.71 0.00 0.00 56.30 56.97 3m1i h ASN 867 Cb 0.17 -0.03 0.01 0.00 0.73 0.00 0.00 38.32 39.20 3m1i h ASN 867 CO -0.01 0.24 -0.51 -0.33 -1.29 0.00 0.00 177.43 175.53 3m1i h GLU 868 N 0.12 0.40 0.00 6.67 5.08 -1.01 -3.36 114.58 122.48 3m1i h GLU 868 Ca 0.03 -0.39 -0.25 0.00 -1.00 0.00 0.00 59.36 57.75 3m1i h GLU 868 Cb 0.26 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 3m1i h GLU 868 CO 0.02 1.05 -1.94 1.63 -1.00 0.00 0.00 179.01 178.77 3m1i n LYS 869 N -4.28 1.55 -3.02 2.33 4.76 -0.09 -4.67 118.16 114.74 3m1i n LYS 869 Ca -0.10 0.01 -0.20 0.00 -2.87 0.00 0.00 58.31 55.16 3m1i n LYS 869 Cb 0.62 -1.35 -0.02 0.00 -1.84 0.00 0.00 35.03 32.44 3m1i n LYS 869 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3m1i n SER 870 N -2.59 2.01 0.18 4.39 2.88 0.34 -4.50 113.62 116.33 3m1i n SER 870 Ca -0.24 -3.18 0.14 0.00 -1.33 0.00 0.00 58.87 54.27 3m1i n SER 870 Cb 0.92 -0.59 0.72 0.00 -0.75 0.00 0.00 64.21 64.52 3m1i n SER 870 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 3m1i h PHE 871 N 2.97 0.00 0.00 0.66 3.57 -1.65 -1.52 116.94 120.97 3m1i h PHE 871 Ca 0.09 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 3m1i h PHE 871 Cb 0.88 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.62 3m1i h PHE 871 CO 0.58 0.00 -0.02 0.00 -2.23 0.00 0.00 178.31 176.64 3m1i h ALA 872 N 1.87 1.70 -0.70 2.41 0.00 -1.92 -0.53 119.26 122.10 3m1i h ALA 872 Ca 0.09 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.10 3m1i h ALA 872 Cb 0.39 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3m1i h ALA 872 CO -0.00 0.03 0.47 0.00 0.00 0.00 0.00 179.25 179.74 3m1i h ALA 873 N 1.98 2.04 0.00 0.00 0.00 -1.60 -1.47 119.26 120.20 3m1i h ALA 873 Ca -0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3m1i h ALA 873 Cb 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3m1i h ALA 873 CO 0.00 -0.21 -0.34 0.74 0.00 0.00 0.00 179.25 179.44 3m1i h PHE 874 N 0.44 0.00 0.00 0.00 -1.00 -1.27 -2.97 116.94 112.15 3m1i h PHE 874 Ca 0.33 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.11 3m1i h PHE 874 Cb 0.69 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.25 3m1i h PHE 874 CO -0.00 0.34 0.00 -0.07 -1.61 0.00 0.00 178.31 176.97 3m1i h LEU 875 N 0.00 0.00 0.00 1.54 3.38 -1.30 -3.04 115.31 115.89 3m1i h LEU 875 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3m1i h LEU 875 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3m1i h LEU 875 CO 0.04 0.00 -1.00 -0.62 0.09 0.00 0.00 178.44 176.96 3m1i n GLU 876 N -2.82 0.56 -1.62 1.13 -0.58 -1.12 -4.92 120.64 111.27 3m1i n GLU 876 Ca 0.02 0.11 -0.46 0.00 -0.42 0.00 0.00 57.16 56.41 3m1i n GLU 876 Cb 0.33 -1.80 -0.03 0.00 -0.57 0.00 0.00 31.44 29.38 3m1i n GLU 876 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3m1i n LEU 877 N -2.58 2.29 -4.76 -4.62 4.77 -1.15 -4.95 117.00 106.00 3m1i n LEU 877 Ca 0.00 1.16 -0.39 0.00 -0.03 0.00 0.00 56.01 56.75 3m1i n LEU 877 Cb 0.54 -1.33 0.02 0.00 -2.33 0.00 0.00 43.42 40.31 3m1i n LEU 877 CO 0.40 -1.00 0.98 -2.16 -1.33 0.00 0.00 177.39 174.27 3m1i s PRO 878 N -0.89 3.57 0.47 3.23 0.04 -1.26 -4.70 135.00 135.46 3m1i s PRO 878 Ca 0.66 2.19 0.27 0.00 0.04 0.00 0.00 61.00 64.15 3m1i s PRO 878 Cb -0.72 -2.50 1.32 0.00 0.04 0.00 0.00 34.50 32.65 3m1i s PRO 878 CO 0.55 -0.83 1.80 -1.35 0.04 0.00 0.00 177.00 177.20 3m1i h PRO 879 N 2.05 0.19 -0.21 0.56 0.11 -1.97 0.26 132.00 132.99 3m1i h PRO 879 Ca -0.50 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 3m1i h PRO 879 Cb 1.27 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3m1i h PRO 879 CO 0.60 0.13 -0.21 0.00 -0.21 0.00 0.00 178.00 178.31 3m1i h ALA 880 N 1.53 1.27 0.15 -0.75 0.00 -2.00 -1.20 119.26 118.26 3m1i h ALA 880 Ca 0.56 -0.29 -0.29 0.00 0.00 0.00 0.00 54.91 54.88 3m1i h ALA 880 Cb 1.81 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 19.51 3m1i h ALA 880 CO -0.15 0.48 -1.28 0.00 0.00 0.00 0.00 179.25 178.31 3m1i h ALA 881 N 1.46 0.03 -0.96 0.00 0.00 -0.85 -2.58 119.26 116.35 3m1i h ALA 881 Ca 0.06 -0.83 0.04 0.00 0.00 0.00 0.00 54.91 54.18 3m1i h ALA 881 Cb 0.55 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 3m1i h ALA 881 CO 0.04 0.80 0.63 0.35 0.00 0.00 0.00 179.25 181.06 3m1i h PHE 882 N 0.17 1.17 -1.00 0.00 3.57 -1.25 -0.08 116.94 119.53 3m1i h PHE 882 Ca -0.18 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.37 3m1i h PHE 882 Cb 1.97 -0.39 -0.05 0.00 2.79 0.00 0.00 35.95 40.27 3m1i h PHE 882 CO 0.10 0.66 0.66 -0.22 -2.23 0.00 0.00 178.31 177.28 3m1i h LYS 883 N 1.20 1.29 0.00 1.11 3.64 -1.19 -0.99 116.57 121.62 3m1i h LYS 883 Ca 0.39 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.64 3m1i h LYS 883 Cb 0.03 -0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 3m1i h LYS 883 CO -0.13 0.85 -0.25 -0.07 -2.27 0.00 0.00 179.45 177.58 3m1i h LEU 884 N 1.33 0.00 -0.09 5.20 3.38 -0.80 -1.27 115.31 123.06 3m1i h LEU 884 Ca 0.37 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.29 3m1i h LEU 884 Cb -0.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 3m1i h LEU 884 CO -0.09 0.25 -0.16 0.15 0.09 0.00 0.00 178.44 178.68 3m1i h PHE 885 N 0.00 0.34 -0.60 1.13 3.57 0.20 0.19 116.94 121.77 3m1i h PHE 885 Ca -0.00 -0.12 0.01 0.00 3.53 0.00 0.00 57.97 61.39 3m1i h PHE 885 Cb 0.55 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 3m1i h PHE 885 CO 0.00 0.76 0.39 0.28 -2.23 0.00 0.00 178.31 177.51 3m1i h VAL 886 N -0.17 1.13 -0.78 1.41 2.07 -1.11 -1.42 116.25 117.39 3m1i h VAL 886 Ca 0.01 -0.27 0.08 0.00 0.82 0.00 0.00 66.70 67.34 3m1i h VAL 886 Cb 0.73 0.27 -0.07 0.00 -1.52 0.00 0.00 31.29 30.70 3m1i h VAL 886 CO 0.04 0.15 0.44 0.44 0.02 0.00 0.00 177.57 178.65 3m1i h ASP 887 N 0.80 0.63 0.40 0.57 3.32 -1.08 -1.73 116.42 119.34 3m1i h ASP 887 Ca 0.23 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.25 3m1i h ASP 887 Cb -0.07 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3m1i h ASP 887 CO -0.06 0.38 -0.33 0.00 -1.72 0.00 0.00 179.24 177.50 3m1i h ALA 888 N 1.42 1.35 -0.11 3.45 0.00 0.44 -1.58 119.26 124.25 3m1i h ALA 888 Ca 0.37 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 3m1i h ALA 888 Cb 0.31 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.05 3m1i h ALA 888 CO -0.23 0.41 -0.55 0.82 0.00 0.00 0.00 179.25 179.70 3m1i h ILE 889 N 0.00 1.35 -0.51 0.00 2.04 -0.71 -1.51 117.51 118.17 3m1i h ILE 889 Ca -0.00 -1.86 -0.10 0.00 1.00 0.00 0.00 64.86 63.89 3m1i h ILE 889 Cb 0.62 2.17 -0.02 0.00 -0.74 0.00 0.00 36.82 38.86 3m1i h ILE 889 CO 0.04 0.56 -0.10 0.00 0.00 0.00 0.00 178.15 178.66 3m1i h TRP 891 N 0.84 0.75 -0.69 0.00 -0.00 -1.20 -1.86 115.95 113.79 3m1i h TRP 891 Ca 0.14 0.02 0.04 0.00 -0.00 0.00 0.00 58.89 59.09 3m1i h TRP 891 Cb 0.63 -0.24 -0.04 0.00 -0.00 0.00 0.00 29.16 29.52 3m1i h TRP 891 CO 0.04 0.39 0.45 0.00 -0.00 0.00 0.00 178.44 179.32 3m1i h ALA 892 N 1.34 1.65 -0.00 2.65 0.00 -0.49 -2.25 119.26 122.16 3m1i h ALA 892 Ca 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3m1i h ALA 892 Cb 0.13 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3m1i h ALA 892 CO -0.16 0.27 -0.11 1.97 0.00 0.00 0.00 179.25 181.23 3m1i n PHE 893 N -4.46 0.00 1.87 0.00 1.16 -0.71 -1.77 117.46 113.54 3m1i n PHE 893 Ca 0.09 0.00 0.16 0.00 -1.87 0.00 0.00 57.45 55.82 3m1i n PHE 893 Cb 0.15 -0.28 0.85 0.00 -1.61 0.00 0.00 39.48 38.59 3m1i n PHE 893 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 3m1i n LYS 894 N -1.20 1.13 -2.58 3.97 5.02 -0.85 -4.88 118.16 118.77 3m1i n LYS 894 Ca 0.12 -0.22 -0.33 0.00 -2.02 0.00 0.00 58.31 55.86 3m1i n LYS 894 Cb 0.29 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.76 3m1i n LYS 894 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3m1i s HIS 895 N -2.02 3.12 -0.15 2.13 3.76 -0.73 -4.97 115.29 116.42 3m1i s HIS 895 Ca 0.45 1.58 0.18 0.00 -0.15 0.00 0.00 55.06 57.11 3m1i s HIS 895 Cb 0.22 -2.98 -0.25 0.00 1.11 0.00 0.00 32.58 30.68 3m1i s HIS 895 CO 0.37 -0.61 0.26 0.09 -0.85 0.00 0.00 174.74 174.00 3m1i n ASN 896 N -0.98 0.19 -4.53 1.40 3.02 -1.26 -4.55 115.26 108.54 3m1i n ASN 896 Ca 0.08 0.09 -0.55 0.00 -0.03 0.00 0.00 54.58 54.17 3m1i n ASN 896 Cb 0.53 0.91 -0.08 0.00 -0.61 0.00 0.00 39.78 40.53 3m1i n ASN 896 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3m1i n ASN 897 N -2.74 2.01 -0.32 6.41 2.85 -1.26 -4.81 115.26 117.40 3m1i n ASN 897 Ca -0.25 0.76 -0.02 0.00 -0.11 0.00 0.00 54.58 54.96 3m1i n ASN 897 Cb 1.05 -1.14 0.11 0.00 1.24 0.00 0.00 39.78 41.04 3m1i n ASN 897 CO 0.00 0.00 0.00 -0.09 -2.11 0.00 0.00 177.26 175.06 3m1i h ARG 898 N 9.49 1.08 -0.57 1.20 9.65 -2.00 -2.17 114.38 131.06 3m1i h ARG 898 Ca -0.33 -0.07 -0.10 0.00 -1.10 0.00 0.00 59.98 58.38 3m1i h ARG 898 Cb 1.34 -0.24 -0.02 0.00 -1.39 0.00 0.00 29.97 29.65 3m1i h ARG 898 CO 1.01 0.72 -0.05 0.22 2.80 0.00 0.00 179.97 184.66 3m1i h ASP 899 N 1.12 1.03 0.49 -3.80 1.82 -1.99 -2.24 116.42 112.86 3m1i h ASP 899 Ca 0.35 -0.33 -0.02 0.00 -0.39 0.00 0.00 57.03 56.64 3m1i h ASP 899 Cb -0.01 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 39.72 3m1i h ASP 899 CO -0.11 1.11 -0.24 0.58 -1.61 0.00 0.00 179.24 178.98 3m1i h VAL 900 N 0.93 0.38 -0.90 2.25 2.07 -1.88 -2.25 116.25 116.85 3m1i h VAL 900 Ca 0.16 -0.44 0.19 0.00 0.82 0.00 0.00 66.70 67.43 3m1i h VAL 900 Cb 0.61 0.53 -0.11 0.00 -1.52 0.00 0.00 31.29 30.81 3m1i h VAL 900 CO 0.04 0.06 0.46 -0.08 0.02 0.00 0.00 177.57 178.06 3m1i h GLU 901 N -0.97 0.54 -0.14 1.57 4.81 -1.39 1.00 114.58 120.00 3m1i h GLU 901 Ca -0.07 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.04 3m1i h GLU 901 Cb 0.60 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.86 3m1i h GLU 901 CO 0.11 0.36 -0.27 0.28 -0.73 0.00 0.00 179.01 178.76 3m1i h VAL 902 N 0.55 1.37 -0.99 0.32 2.07 -1.37 -0.43 116.25 117.77 3m1i h VAL 902 Ca 0.53 -1.53 0.08 0.00 0.82 0.00 0.00 66.70 66.59 3m1i h VAL 902 Cb 0.88 2.02 -0.07 0.00 -1.52 0.00 0.00 31.29 32.61 3m1i h VAL 902 CO -0.44 0.45 0.63 0.78 0.02 0.00 0.00 177.57 179.02 3m1i h ASN 903 N 0.02 0.99 0.38 0.57 2.35 -0.89 -1.30 115.58 117.71 3m1i h ASN 903 Ca 0.00 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 3m1i h ASN 903 Cb 0.86 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 39.04 3m1i h ASN 903 CO 0.06 0.61 -0.20 1.23 -1.65 0.00 0.00 177.43 177.47 3m1i h GLY 904 N 1.11 -0.56 1.06 2.83 0.00 -0.25 0.59 103.07 107.84 3m1i h GLY 904 Ca 0.44 0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.95 3m1i h GLY 904 CO -0.20 -0.21 0.33 1.41 0.00 0.00 0.00 176.54 177.87 3m1i h LEU 905 N -0.54 1.10 -0.63 3.11 3.38 -0.98 -1.70 115.31 119.05 3m1i h LEU 905 Ca -0.05 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 3m1i h LEU 905 Cb 0.43 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3m1i h LEU 905 CO 0.06 0.97 0.26 -0.61 0.09 0.00 0.00 178.44 179.22 3m1i h GLN 906 N 1.17 0.93 -0.58 1.13 5.75 -1.05 -2.22 115.11 120.24 3m1i h GLN 906 Ca 0.27 -0.16 -0.03 0.00 -0.15 0.00 0.00 58.65 58.58 3m1i h GLN 906 Cb 0.21 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.58 3m1i h GLN 906 CO -0.02 0.78 0.25 0.82 -2.65 0.00 0.00 178.83 178.00 3m1i h ILE 907 N 0.88 1.22 -0.41 2.39 2.04 -0.57 -0.17 117.51 122.88 3m1i h ILE 907 Ca 0.21 -0.67 0.02 0.00 1.00 0.00 0.00 64.86 65.42 3m1i h ILE 907 Cb 0.19 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 3m1i h ILE 907 CO -0.02 0.26 0.24 0.00 0.00 0.00 0.00 178.15 178.63 3m1i h ALA 908 N 1.09 0.52 -0.15 1.87 0.00 -1.17 0.36 119.26 121.78 3m1i h ALA 908 Ca 0.20 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.11 3m1i h ALA 908 Cb 0.18 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3m1i h ALA 908 CO -0.02 -0.10 0.06 -0.07 0.00 0.00 0.00 179.25 179.12 3m1i h LEU 909 N 0.48 0.07 -0.69 0.00 3.38 -1.08 -1.23 115.31 116.24 3m1i h LEU 909 Ca 0.17 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.02 3m1i h LEU 909 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3m1i h LEU 909 CO -0.08 0.06 -0.39 0.44 0.09 0.00 0.00 178.44 178.56 3m1i h ASP 910 N 0.13 0.59 -0.09 -0.43 3.32 -0.53 -2.10 116.42 117.31 3m1i h ASP 910 Ca 0.06 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 3m1i h ASP 910 Cb 0.03 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 3m1i h ASP 910 CO -0.06 0.92 0.04 0.25 -1.72 0.00 0.00 179.24 178.67 3m1i h LEU 911 N 0.47 0.11 -0.34 1.55 5.85 0.00 0.26 115.31 123.20 3m1i h LEU 911 Ca 0.04 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.72 3m1i h LEU 911 Cb 0.89 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.84 3m1i h LEU 911 CO 0.08 0.17 0.02 0.58 -0.34 0.00 0.00 178.44 178.95 3m1i h VAL 912 N 0.04 0.78 -0.62 1.05 2.07 -1.18 0.15 116.25 118.52 3m1i h VAL 912 Ca 0.03 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.54 3m1i h VAL 912 Cb 0.09 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 3m1i h VAL 912 CO -0.00 0.02 0.37 0.11 0.02 0.00 0.00 177.57 178.09 3m1i h LYS 913 N 0.13 0.69 -0.85 1.57 1.57 -1.23 0.19 116.57 118.64 3m1i h LYS 913 Ca 0.16 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3m1i h LYS 913 Cb 0.21 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 3m1i h LYS 913 CO -0.25 0.46 0.48 -0.91 -0.57 0.00 0.00 179.45 178.66 3m1i h ASN 914 N 0.71 1.04 0.02 0.86 2.35 0.40 0.28 115.58 121.25 3m1i h ASN 914 Ca 0.26 -0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 3m1i h ASN 914 Cb 0.08 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.18 3m1i h ASN 914 CO -0.13 0.83 -0.01 0.40 -1.65 0.00 0.00 177.43 176.87 3m1i h ILE 915 N 1.18 1.29 -0.86 2.81 5.03 -0.25 -2.90 117.51 123.81 3m1i h ILE 915 Ca 0.30 -0.96 0.20 0.00 -0.12 0.00 0.00 64.86 64.28 3m1i h ILE 915 Cb 0.00 1.93 -0.12 0.00 -3.03 0.00 0.00 36.82 35.61 3m1i h ILE 915 CO -0.05 0.25 0.35 -0.08 -0.68 0.00 0.00 178.15 177.93 3m1i h GLU 916 N -0.44 0.37 0.00 2.37 4.81 -0.46 -0.80 114.58 120.43 3m1i h GLU 916 Ca -0.00 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 3m1i h GLU 916 Cb 0.42 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 3m1i h GLU 916 CO 0.00 0.25 -0.11 0.00 -0.73 0.00 0.00 179.01 178.42 3m1i h ARG 917 N 0.38 0.00 -7.37 1.92 3.08 -0.74 -3.43 114.38 108.22 3m1i h ARG 917 Ca 0.52 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 60.13 3m1i h ARG 917 Cb 0.96 0.00 0.17 0.00 0.08 0.00 0.00 29.97 31.18 3m1i h ARG 917 CO -0.52 0.11 0.18 -1.64 -1.07 0.00 0.00 179.97 177.03 3m1i s MET 918 N -4.79 -0.05 0.00 0.04 -1.94 -0.31 -5.02 119.30 107.24 3m1i s MET 918 Ca -0.04 0.34 0.00 0.00 -1.71 0.00 0.00 55.69 54.28 3m1i s MET 918 Cb 0.16 -1.70 0.00 0.00 2.01 0.00 0.00 34.83 35.30 3m1i s MET 918 CO 0.68 -3.01 0.00 0.41 -0.01 0.00 0.00 175.02 173.09 3m1i n GLY 919 N -1.07 -3.28 3.57 -0.03 0.00 -1.26 -4.83 105.19 98.29 3m1i n GLY 919 Ca 0.07 -1.29 -0.41 0.00 0.00 0.00 0.00 46.02 44.38 3m1i n GLY 919 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3m1i s ASN 920 N -1.84 6.59 0.07 1.61 2.47 -1.26 -4.81 114.94 117.77 3m1i s ASN 920 Ca 0.00 -1.97 0.03 0.00 0.42 0.00 0.00 52.86 51.34 3m1i s ASN 920 Cb 0.00 -2.58 -0.03 0.00 -1.45 0.00 0.00 41.25 37.19 3m1i s ASN 920 CO 0.00 -1.42 -0.09 -0.69 -3.72 0.00 0.00 177.10 171.17 3m1i s VAL 921 N 4.95 0.79 0.23 -5.21 1.01 -1.26 -5.05 120.40 115.86 3m1i s VAL 921 Ca 0.52 -1.42 -0.07 0.00 0.00 0.00 0.00 61.98 61.01 3m1i s VAL 921 Cb 0.02 -1.08 0.18 0.00 0.00 0.00 0.00 36.38 35.50 3m1i s VAL 921 CO 0.01 -0.48 1.74 -0.65 0.00 0.00 0.00 175.10 175.72 3m1i h PRO 922 N 3.94 0.43 -0.28 2.72 0.11 -1.99 -1.34 132.00 135.59 3m1i h PRO 922 Ca -0.37 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.74 3m1i h PRO 922 Cb 1.19 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3m1i h PRO 922 CO 0.48 0.28 0.13 0.35 -0.21 0.00 0.00 178.00 179.03 3m1i h PHE 923 N 0.44 0.23 -0.79 0.65 3.57 -1.97 0.87 116.94 119.94 3m1i h PHE 923 Ca 0.36 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.88 3m1i h PHE 923 Cb 0.50 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 3m1i h PHE 923 CO -0.17 0.12 0.52 0.00 -2.23 0.00 0.00 178.31 176.56 3m1i h ALA 924 N 1.15 1.00 -0.29 2.41 0.00 -1.67 -0.93 119.26 120.94 3m1i h ALA 924 Ca 0.12 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 3m1i h ALA 924 Cb 0.05 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3m1i h ALA 924 CO -0.09 0.40 -0.38 -0.91 0.00 0.00 0.00 179.25 178.26 3m1i h ASN 925 N 1.06 0.83 -0.89 0.00 2.35 -0.86 -1.31 115.58 116.75 3m1i h ASN 925 Ca 0.29 -0.50 0.01 0.00 -0.55 0.00 0.00 56.30 55.55 3m1i h ASN 925 Cb -0.11 -0.24 -0.05 0.00 0.05 0.00 0.00 38.32 37.98 3m1i h ASN 925 CO -0.07 1.17 0.59 -0.08 -1.65 0.00 0.00 177.43 177.39 3m1i h GLU 926 N 0.52 1.16 0.07 0.81 4.57 -0.74 -1.14 114.58 119.83 3m1i h GLU 926 Ca 0.03 -0.07 0.01 0.00 -1.18 0.00 0.00 59.36 58.16 3m1i h GLU 926 Cb 0.97 -0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 29.28 3m1i h GLU 926 CO 0.09 0.77 -0.15 0.35 -1.18 0.00 0.00 179.01 178.89 3m1i h PHE 927 N 1.20 -0.40 -0.35 0.92 3.57 -0.57 0.18 116.94 121.48 3m1i h PHE 927 Ca 0.33 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 3m1i h PHE 927 Cb -0.12 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 3m1i h PHE 927 CO -0.01 -0.23 0.18 0.45 -2.23 0.00 0.00 178.31 176.47 3m1i h HIS 928 N -0.29 0.50 -1.00 0.41 3.86 -1.09 0.29 115.15 117.82 3m1i h HIS 928 Ca 0.03 -0.02 0.08 0.00 -1.16 0.00 0.00 60.37 59.30 3m1i h HIS 928 Cb 0.32 -0.16 -0.07 0.00 1.06 0.00 0.00 27.41 28.56 3m1i h HIS 928 CO -0.17 0.41 0.64 0.87 0.86 0.00 0.00 177.93 180.54 3m1i h LYS 929 N 0.44 1.10 0.03 2.45 1.57 -0.91 -1.89 116.57 119.35 3m1i h LYS 929 Ca 0.12 -0.07 -0.27 0.00 -1.87 0.00 0.00 60.65 58.57 3m1i h LYS 929 Cb 0.09 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 3m1i h LYS 929 CO -0.02 0.73 -1.43 -0.91 -0.57 0.00 0.00 179.45 177.25 3m1i h ASN 930 N 1.13 0.09 0.00 0.86 2.35 -0.32 -3.43 115.58 116.25 3m1i h ASN 930 Ca 0.45 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 3m1i h ASN 930 Cb 0.25 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.59 3m1i h ASN 930 CO -0.20 1.12 -0.00 -1.22 -1.65 0.00 0.00 177.43 175.48 3m1i n TYR 931 N -3.25 0.00 -0.13 1.19 4.02 0.99 -4.68 117.16 115.30 3m1i n TYR 931 Ca -0.11 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.73 3m1i n TYR 931 Cb 1.01 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 40.37 3m1i n TYR 931 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 176.86 176.20 3m1i h PHE 932 N 0.00 0.11 0.00 -0.72 3.57 -1.42 -1.01 116.94 117.47 3m1i h PHE 932 Ca 0.00 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.39 3m1i h PHE 932 Cb 0.00 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 3m1i h PHE 932 CO 0.00 -0.01 -0.66 0.74 -2.23 0.00 0.00 178.31 176.15 3m1i h PHE 933 N 0.19 0.00 -0.42 0.41 0.04 -1.86 -1.78 116.94 113.52 3m1i h PHE 933 Ca 0.20 0.00 0.04 0.00 2.80 0.00 0.00 57.97 61.01 3m1i h PHE 933 Cb 0.25 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.36 3m1i h PHE 933 CO -0.21 0.66 0.19 0.82 -0.60 0.00 0.00 178.31 179.17 3m1i h ILE 934 N 0.00 0.94 -0.25 -0.55 2.04 -1.68 -0.57 117.51 117.44 3m1i h ILE 934 Ca -0.01 -0.13 -0.13 0.00 1.00 0.00 0.00 64.86 65.59 3m1i h ILE 934 Cb 1.22 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 3m1i h ILE 934 CO 0.09 0.07 -0.39 -0.26 0.00 0.00 0.00 178.15 177.66 3m1i h PHE 935 N 0.39 0.68 -0.16 1.37 0.04 -0.90 -1.00 116.94 117.35 3m1i h PHE 935 Ca 0.19 -0.19 -0.06 0.00 2.80 0.00 0.00 57.97 60.70 3m1i h PHE 935 Cb 0.12 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 38.12 3m1i h PHE 935 CO -0.12 0.88 -0.14 0.28 -0.60 0.00 0.00 178.31 178.61 3m1i h VAL 936 N 0.48 1.33 -0.20 -0.55 2.07 -1.00 -2.12 116.25 116.26 3m1i h VAL 936 Ca 0.04 -1.28 -0.18 0.00 0.82 0.00 0.00 66.70 66.11 3m1i h VAL 936 Cb 0.89 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 32.47 3m1i h VAL 936 CO 0.08 0.38 -0.60 0.77 0.02 0.00 0.00 177.57 178.22 3m1i h SER 937 N 0.03 0.76 -0.57 0.57 4.64 -1.07 -0.88 113.55 117.04 3m1i h SER 937 Ca 0.03 -0.43 -0.05 0.00 -0.47 0.00 0.00 61.79 60.87 3m1i h SER 937 Cb 0.66 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 3m1i h SER 937 CO 0.04 1.19 0.19 -0.33 -0.87 0.00 0.00 176.83 177.04 3m1i h GLU 938 N 0.50 0.93 -0.16 4.77 4.39 -1.19 0.09 114.58 123.90 3m1i h GLU 938 Ca -0.00 -0.18 -0.22 0.00 0.34 0.00 0.00 59.36 59.30 3m1i h GLU 938 Cb 1.18 -0.14 0.01 0.00 -0.10 0.00 0.00 28.75 29.69 3m1i h GLU 938 CO 0.12 0.80 -0.76 0.00 -1.16 0.00 0.00 179.01 178.01 3m1i h THR 939 N 0.90 1.28 -0.92 1.13 1.03 -1.24 -2.42 112.91 112.66 3m1i h THR 939 Ca 0.20 -1.96 0.05 0.00 -0.01 0.00 0.00 66.41 64.69 3m1i h THR 939 Cb 0.26 1.96 -0.06 0.00 -1.07 0.00 0.00 68.15 69.24 3m1i h THR 939 CO -0.01 0.62 0.59 -0.26 -0.01 0.00 0.00 175.52 176.45 3m1i h PHE 940 N 0.54 1.10 -0.01 0.00 -1.00 -1.07 -1.75 116.94 114.74 3m1i h PHE 940 Ca -0.05 0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.77 3m1i h PHE 940 Cb 1.38 -0.36 -0.01 0.00 3.61 0.00 0.00 35.95 40.57 3m1i h PHE 940 CO 0.08 0.59 -0.05 0.35 -1.61 0.00 0.00 178.31 177.67 3m1i h PHE 941 N 1.10 -0.11 0.00 -0.55 3.57 -0.76 -2.26 116.94 117.93 3m1i h PHE 941 Ca 0.39 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.78 3m1i h PHE 941 Cb 0.11 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 3m1i h PHE 941 CO -0.02 -0.07 -0.53 -0.39 -2.23 0.00 0.00 178.31 175.07 3m1i h VAL 942 N -0.08 1.14 -0.39 1.41 -1.51 -1.30 -2.47 116.25 113.05 3m1i h VAL 942 Ca 0.02 -2.00 -0.04 0.00 -1.23 0.00 0.00 66.70 63.45 3m1i h VAL 942 Cb 0.11 2.16 -0.02 0.00 -2.13 0.00 0.00 31.29 31.40 3m1i h VAL 942 CO -0.06 0.52 0.07 0.25 -1.23 0.00 0.00 177.57 177.12 3m1i h LEU 943 N 0.00 0.54 -0.59 4.19 6.46 -1.06 -3.32 115.31 121.54 3m1i h LEU 943 Ca -0.01 -0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.67 3m1i h LEU 943 Cb 1.11 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.90 3m1i h LEU 943 CO 0.07 0.57 -0.38 0.41 -0.62 0.00 0.00 178.44 178.49 3m1i n THR 944 N -4.31 0.00 -2.94 1.05 -1.04 -0.87 -4.96 114.28 101.21 3m1i n THR 944 Ca 0.02 -0.31 -0.18 0.00 -2.04 0.00 0.00 64.05 61.54 3m1i n THR 944 Cb 0.21 1.11 0.02 0.00 -1.82 0.00 0.00 70.33 69.86 3m1i n THR 944 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 3m1i s ASP 945 N -1.84 5.53 -0.35 8.00 1.47 -0.95 -4.95 116.67 123.57 3m1i s ASP 945 Ca 0.09 -0.38 0.05 0.00 1.18 0.00 0.00 52.55 53.50 3m1i s ASP 945 Cb 0.11 -0.62 0.59 0.00 -0.34 0.00 0.00 42.92 42.65 3m1i s ASP 945 CO 0.40 -0.89 1.74 -1.20 0.68 0.00 0.00 175.17 175.90 3m1i n SER 946 N -1.98 3.86 -0.15 2.11 7.64 -1.26 -4.19 113.62 119.64 3m1i n SER 946 Ca 0.09 -3.26 0.02 0.00 1.01 0.00 0.00 58.87 56.72 3m1i n SER 946 Cb 0.59 -0.77 0.01 0.00 -1.01 0.00 0.00 64.21 63.04 3m1i n SER 946 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3m1i n ASP 947 N -0.66 1.22 -2.18 6.43 8.00 -1.26 -4.63 116.55 123.46 3m1i n ASP 947 Ca 0.46 -1.11 -0.01 0.00 0.71 0.00 0.00 54.79 54.84 3m1i n ASP 947 Cb 1.42 0.12 0.05 0.00 -0.02 0.00 0.00 41.12 42.69 3m1i n ASP 947 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3m1i n HIS 948 N 0.08 0.94 0.28 1.24 8.25 -1.26 -4.89 115.22 119.86 3m1i n HIS 948 Ca 0.02 -1.59 0.14 0.00 -0.26 0.00 0.00 57.72 56.04 3m1i n HIS 948 Cb 0.10 -0.22 0.81 0.00 1.12 0.00 0.00 29.99 31.81 3m1i n HIS 948 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3m1i h LYS 949 N 1.95 0.00 0.00 -0.41 1.57 -1.85 -2.14 116.57 115.70 3m1i h LYS 949 Ca -0.11 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 3m1i h LYS 949 Cb 1.48 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.78 3m1i h LYS 949 CO 0.20 0.08 -0.32 0.66 -0.57 0.00 0.00 179.45 179.50 3m1i h SER 950 N 0.00 0.00 -0.31 0.86 4.64 -1.98 -2.86 113.55 113.91 3m1i h SER 950 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3m1i h SER 950 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3m1i h SER 950 CO 0.01 0.32 0.00 0.61 -0.87 0.00 0.00 176.83 176.90 3m1i n GLY 951 N 0.01 1.38 0.30 -0.77 0.00 -0.80 -4.67 105.19 100.64 3m1i n GLY 951 Ca -0.01 -0.40 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 3m1i n GLY 951 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3m1i h PHE 952 N 1.93 -0.74 -0.47 1.61 3.57 -1.65 -0.42 116.94 120.77 3m1i h PHE 952 Ca 0.00 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.62 3m1i h PHE 952 Cb 0.82 0.34 -0.07 0.00 2.79 0.00 0.00 35.95 39.82 3m1i h PHE 952 CO 0.37 -0.36 0.02 0.77 -2.23 0.00 0.00 178.31 176.88 3m1i h SER 953 N -0.36 -0.15 0.81 0.41 0.02 -1.87 -1.41 113.55 110.99 3m1i h SER 953 Ca 0.09 0.10 -0.11 0.00 -0.84 0.00 0.00 61.79 61.04 3m1i h SER 953 Cb 0.50 0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 3m1i h SER 953 CO -0.30 -0.04 -0.51 0.11 -1.14 0.00 0.00 176.83 174.95 3m1i h LYS 954 N 0.14 0.00 -0.62 3.45 1.57 -1.86 -1.41 116.57 117.84 3m1i h LYS 954 Ca 0.23 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.95 3m1i h LYS 954 Cb 0.34 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 3m1i h LYS 954 CO -0.37 0.51 0.12 1.96 -0.57 0.00 0.00 179.45 181.09 3m1i h GLN 955 N 0.00 1.02 -0.16 3.15 4.20 -0.57 -1.30 115.11 121.45 3m1i h GLN 955 Ca -0.01 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.42 3m1i h GLN 955 Cb 1.05 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.70 3m1i h GLN 955 CO 0.07 0.94 0.02 0.00 -0.67 0.00 0.00 178.83 179.19 3m1i h ALA 956 N 1.04 0.21 -1.00 3.87 0.00 -1.06 -0.14 119.26 122.18 3m1i h ALA 956 Ca 0.19 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.00 3m1i h ALA 956 Cb 0.40 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 3m1i h ALA 956 CO 0.01 -0.12 0.64 -0.07 0.00 0.00 0.00 179.25 179.71 3m1i h LEU 957 N 0.05 1.02 -0.01 0.00 3.38 -1.17 0.15 115.31 118.73 3m1i h LEU 957 Ca 0.05 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3m1i h LEU 957 Cb 0.31 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3m1i h LEU 957 CO 0.00 0.64 0.00 0.25 0.09 0.00 0.00 178.44 179.42 3m1i h LEU 958 N 1.15 0.01 -0.93 1.67 5.85 -0.91 -2.33 115.31 119.82 3m1i h LEU 958 Ca 0.44 -0.28 0.11 0.00 0.84 0.00 0.00 57.88 58.98 3m1i h LEU 958 Cb 0.20 -0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.15 3m1i h LEU 958 CO -0.18 0.29 0.56 0.25 -0.34 0.00 0.00 178.44 179.02 3m1i h LEU 959 N -0.27 0.82 -0.45 2.25 5.85 -0.58 -0.21 115.31 122.71 3m1i h LEU 959 Ca 0.00 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 3m1i h LEU 959 Cb 0.28 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3m1i h LEU 959 CO 0.00 0.45 0.00 0.24 -0.34 0.00 0.00 178.44 178.80 3m1i h MET 960 N 0.91 0.80 -0.52 1.25 2.86 -0.50 0.01 114.93 119.74 3m1i h MET 960 Ca 0.45 -0.25 -0.06 0.00 -2.06 0.00 0.00 59.70 57.78 3m1i h MET 960 Cb 0.42 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 3m1i h MET 960 CO -0.26 0.85 0.09 -0.22 1.06 0.00 0.00 176.91 178.44 3m1i h LYS 961 N 0.65 0.86 -0.01 1.72 1.63 -1.19 0.28 116.57 120.51 3m1i h LYS 961 Ca 0.13 -0.23 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 3m1i h LYS 961 Cb 0.49 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.02 3m1i h LYS 961 CO 0.02 0.84 0.01 -0.07 -3.45 0.00 0.00 179.45 176.80 3m1i h LEU 962 N 0.75 0.01 -0.39 5.20 3.38 -0.65 -2.33 115.31 121.27 3m1i h LEU 962 Ca 0.16 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.19 3m1i h LEU 962 Cb 0.39 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 3m1i h LEU 962 CO 0.01 0.01 0.09 0.40 0.09 0.00 0.00 178.44 179.03 3m1i h ILE 963 N 0.01 0.81 -0.69 1.22 2.04 -0.81 -2.08 117.51 118.00 3m1i h ILE 963 Ca 0.00 -0.07 0.13 0.00 1.00 0.00 0.00 64.86 65.92 3m1i h ILE 963 Cb -0.00 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 3m1i h ILE 963 CO -0.00 0.04 0.46 0.77 0.00 0.00 0.00 178.15 179.42 3m1i h SER 964 N 0.22 0.36 -0.85 1.72 4.64 -0.79 -0.45 113.55 118.40 3m1i h SER 964 Ca 0.19 0.02 0.05 0.00 -0.47 0.00 0.00 61.79 61.57 3m1i h SER 964 Cb 0.22 -0.06 -0.05 0.00 -0.31 0.00 0.00 62.40 62.20 3m1i h SER 964 CO -0.24 0.20 0.56 -0.07 -0.87 0.00 0.00 176.83 176.41 3m1i h LEU 965 N 0.39 0.88 0.01 5.97 3.38 -0.81 0.44 115.31 125.58 3m1i h LEU 965 Ca 0.33 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.30 3m1i h LEU 965 Cb 0.75 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3m1i h LEU 965 CO -0.10 0.59 -0.00 0.58 0.09 0.00 0.00 178.44 179.60 3m1i h VAL 966 N 1.02 1.50 0.00 1.22 2.07 -1.21 0.59 116.25 121.43 3m1i h VAL 966 Ca 0.35 -2.06 0.00 0.00 0.82 0.00 0.00 66.70 65.80 3m1i h VAL 966 Cb 0.10 2.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 3m1i h VAL 966 CO -0.11 0.50 0.00 1.88 0.02 0.00 0.00 177.57 179.85 3m1i h TYR 967 N -0.97 0.00 -0.27 1.57 0.05 -0.96 -1.43 116.97 114.96 3m1i h TYR 967 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3m1i h TYR 967 Cb 0.82 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.56 3m1i h TYR 967 CO 0.23 0.00 0.00 -0.25 -1.05 0.00 0.00 178.16 177.09 3m1i n ASP 968 N -2.46 3.26 -2.52 3.88 8.00 0.13 -4.96 116.55 121.88 3m1i n ASP 968 Ca 0.03 -1.97 -0.17 0.00 0.71 0.00 0.00 54.79 53.40 3m1i n ASP 968 Cb 0.33 -0.17 0.05 0.00 -0.02 0.00 0.00 41.12 41.31 3m1i n ASP 968 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3m1i n ASN 969 N 1.40 -5.00 0.14 -2.24 3.02 -0.54 -4.93 115.26 107.11 3m1i n ASN 969 Ca 0.17 -0.32 0.09 0.00 -0.03 0.00 0.00 54.58 54.49 3m1i n ASN 969 Cb 0.59 -3.67 0.06 0.00 -0.61 0.00 0.00 39.78 36.14 3m1i n ASN 969 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3m1i h LYS 970 N -1.62 0.00 -5.40 3.52 1.79 -1.11 -3.45 116.57 110.30 3m1i h LYS 970 Ca -0.39 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.48 3m1i h LYS 970 Cb 1.26 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 31.80 3m1i h LYS 970 CO 0.40 0.11 -0.31 0.42 -1.08 0.00 0.00 179.45 178.99 3m1i s ILE 971 N -3.19 5.28 -0.39 1.86 1.01 -1.14 -4.97 121.20 119.66 3m1i s ILE 971 Ca 0.03 0.55 0.22 0.00 0.00 0.00 0.00 60.65 61.45 3m1i s ILE 971 Cb 0.07 -3.65 0.27 0.00 0.01 0.00 0.00 42.46 39.16 3m1i s ILE 971 CO 0.74 0.33 1.51 0.28 0.00 0.00 0.00 174.94 177.80 3m1i h SER 972 N 7.05 0.00 -3.85 3.58 0.02 -1.95 -3.47 113.55 114.93 3m1i h SER 972 Ca -0.39 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 59.90 3m1i h SER 972 Cb 1.16 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.49 3m1i h SER 972 CO 0.73 0.04 -0.85 -0.69 -1.14 0.00 0.00 176.83 174.92 3m1i s VAL 973 N -3.21 2.16 0.25 2.27 1.01 -1.26 -5.09 120.40 116.54 3m1i s VAL 973 Ca 0.06 -1.76 -0.30 0.00 0.00 0.00 0.00 61.98 59.97 3m1i s VAL 973 Cb 0.06 -1.93 -0.11 0.00 0.00 0.00 0.00 36.38 34.40 3m1i s VAL 973 CO 0.69 0.03 1.53 -2.16 0.00 0.00 0.00 175.10 175.19 3m1i s PRO 974 N -2.13 4.20 0.01 2.72 0.04 -1.26 -4.90 135.00 133.68 3m1i s PRO 974 Ca 0.14 2.43 0.27 0.00 0.04 0.00 0.00 61.00 63.87 3m1i s PRO 974 Cb -0.10 -3.08 0.82 0.00 0.04 0.00 0.00 34.50 32.18 3m1i s PRO 974 CO 0.06 -0.54 1.64 1.28 0.04 0.00 0.00 177.00 179.48 3m1i n LEU 975 N 2.57 0.30 -4.98 -3.56 4.77 -1.26 -4.85 117.00 109.98 3m1i n LEU 975 Ca 0.09 0.23 -0.20 0.00 -0.03 0.00 0.00 56.01 56.10 3m1i n LEU 975 Cb 0.39 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3m1i n LEU 975 CO 0.62 0.06 0.12 -0.72 -1.33 0.00 0.00 177.39 176.14 3m1i s TYR 976 N -3.01 3.13 0.56 -1.77 -0.85 -1.26 -4.92 117.35 109.23 3m1i s TYR 976 Ca 0.12 -0.12 -0.17 0.00 -0.52 0.00 0.00 57.07 56.38 3m1i s TYR 976 Cb 0.18 -2.09 -0.05 0.00 0.38 0.00 0.00 41.96 40.38 3m1i s TYR 976 CO 0.63 -0.11 1.06 -0.65 -1.52 0.00 0.00 175.55 174.95 3m1i s GLN 977 N -4.27 3.42 0.00 -3.49 -1.52 -1.26 -5.00 119.66 107.53 3m1i s GLN 977 Ca 0.46 1.30 0.00 0.00 -1.95 0.00 0.00 55.36 55.17 3m1i s GLN 977 Cb -0.10 -2.04 0.00 0.00 -0.22 0.00 0.00 33.01 30.65 3m1i s GLN 977 CO 0.33 -0.74 0.18 -1.91 -0.25 0.00 0.00 175.29 172.90 3m1i n GLU 978 N -1.70 0.00 -1.63 2.91 4.07 -1.26 -2.38 120.64 120.65 3m1i n GLU 978 Ca 0.09 0.18 -0.36 0.00 -0.06 0.00 0.00 57.16 57.02 3m1i n GLU 978 Cb 0.52 -0.36 0.06 0.00 -0.06 0.00 0.00 31.44 31.61 3m1i n GLU 978 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3m1i n ALA 979 N -0.76 6.26 0.14 4.31 0.00 -1.26 -4.32 120.51 124.89 3m1i n ALA 979 Ca 0.00 -3.76 0.11 0.00 0.00 0.00 0.00 53.44 49.80 3m1i n ALA 979 Cb 0.00 -1.70 -0.07 0.00 0.00 0.00 0.00 19.45 17.68 3m1i n ALA 979 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3m1i n GLU 980 N -0.76 0.57 -3.48 0.00 2.13 -1.00 -5.01 120.64 113.08 3m1i n GLU 980 Ca 0.58 -0.04 -0.14 0.00 0.66 0.00 0.00 57.16 58.22 3m1i n GLU 980 Cb 0.54 -1.65 -0.04 0.00 0.27 0.00 0.00 31.44 30.55 3m1i n GLU 980 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3m1i s VAL 981 N -3.40 0.00 1.27 6.31 0.11 -1.26 -5.06 120.40 118.37 3m1i s VAL 981 Ca -0.03 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 58.84 3m1i s VAL 981 Cb 0.12 -1.00 0.29 0.00 -1.53 0.00 0.00 36.38 34.26 3m1i s VAL 981 CO 0.85 0.00 0.74 -2.65 -3.33 0.00 0.00 175.10 170.70 3m1i n PRO 982 N 0.26 -3.22 0.00 1.54 -0.02 -1.26 -4.87 135.00 127.43 3m1i n PRO 982 Ca -0.16 -0.94 0.00 0.00 -2.02 0.00 0.00 63.50 60.38 3m1i n PRO 982 Cb 0.61 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 3m1i n PRO 982 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3m1i n GLN 983 N -4.52 0.00 -3.12 -0.52 -0.00 -1.26 -2.31 117.38 105.65 3m1i n GLN 983 Ca 0.06 0.47 -0.28 0.00 -0.00 0.00 0.00 57.00 57.25 3m1i n GLN 983 Cb 0.55 -0.87 -0.05 0.00 -0.00 0.00 0.00 30.24 29.87 3m1i n GLN 983 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3m1i n GLY 984 N -0.92 5.32 3.77 2.61 0.00 -1.26 -5.09 105.19 109.61 3m1i n GLY 984 Ca 0.00 -2.78 -0.39 0.00 0.00 0.00 0.00 46.02 42.86 3m1i n GLY 984 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3m1i s THR 985 N -3.66 2.80 0.71 2.61 -4.23 -0.98 -4.98 115.64 107.91 3m1i s THR 985 Ca 0.45 0.68 -0.14 0.00 -1.18 0.00 0.00 61.69 61.50 3m1i s THR 985 Cb 0.22 -3.39 0.03 0.00 1.34 0.00 0.00 72.50 70.70 3m1i s THR 985 CO -0.08 0.07 1.13 -0.94 -0.54 0.00 0.00 174.62 174.26 3m1i s SER 986 N -0.94 4.69 0.50 3.99 1.04 -1.26 -4.93 113.70 116.80 3m1i s SER 986 Ca 0.58 2.06 0.19 0.00 0.48 0.00 0.00 55.95 59.27 3m1i s SER 986 Cb -0.35 -2.56 1.28 0.00 0.10 0.00 0.00 66.02 64.49 3m1i s SER 986 CO 0.44 -1.92 2.09 0.78 0.98 0.00 0.00 173.24 175.62 3m1i h ASN 987 N -0.33 0.00 0.71 7.02 2.35 -1.93 -2.43 115.58 120.97 3m1i h ASN 987 Ca -0.46 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.26 3m1i h ASN 987 Cb 1.26 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.62 3m1i h ASN 987 CO 0.52 0.09 -0.49 1.56 -1.65 0.00 0.00 177.43 177.47 3m1i h GLN 988 N 0.00 -1.09 -0.25 0.81 7.50 -1.92 0.30 115.11 120.46 3m1i h GLN 988 Ca -0.00 0.07 -0.10 0.00 0.50 0.00 0.00 58.65 59.13 3m1i h GLN 988 Cb 0.18 0.25 -0.01 0.00 0.05 0.00 0.00 27.48 27.95 3m1i h GLN 988 CO 0.01 -0.73 -0.26 -0.39 -1.50 0.00 0.00 178.83 175.97 3m1i h VAL 989 N -1.13 1.27 -0.27 -0.54 -1.51 -1.91 -1.91 116.25 110.24 3m1i h VAL 989 Ca -0.09 -1.28 -0.02 0.00 -1.23 0.00 0.00 66.70 64.08 3m1i h VAL 989 Cb 0.92 1.36 -0.01 0.00 -2.13 0.00 0.00 31.29 31.43 3m1i h VAL 989 CO 0.06 0.41 0.11 0.22 -1.23 0.00 0.00 177.57 177.14 3m1i h TYR 990 N 0.43 0.41 -0.44 5.19 3.20 -1.25 -1.36 116.97 123.15 3m1i h TYR 990 Ca 0.06 -0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.98 3m1i h TYR 990 Cb 0.68 -0.12 -0.07 0.00 1.54 0.00 0.00 36.73 38.76 3m1i h TYR 990 CO 0.02 0.42 0.04 1.25 -1.64 0.00 0.00 178.16 178.25 3m1i h LEU 991 N 0.29 -0.09 -0.86 2.82 5.85 -0.11 0.14 115.31 123.35 3m1i h LEU 991 Ca 0.09 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 3m1i h LEU 991 Cb 0.18 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 3m1i h LEU 991 CO -0.01 -0.01 0.54 0.28 -0.34 0.00 0.00 178.44 178.90 3m1i h SER 992 N 0.16 1.02 -0.39 1.25 0.02 -1.16 -1.22 113.55 113.25 3m1i h SER 992 Ca 0.22 -0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 61.06 3m1i h SER 992 Cb 0.30 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 3m1i h SER 992 CO -0.33 0.77 0.01 1.56 -1.14 0.00 0.00 176.83 177.71 3m1i h GLN 993 N 1.18 0.68 -0.30 3.45 4.20 -0.80 0.13 115.11 123.64 3m1i h GLN 993 Ca 0.31 -0.21 0.05 0.00 0.06 0.00 0.00 58.65 58.86 3m1i h GLN 993 Cb -0.07 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.60 3m1i h GLN 993 CO -0.06 0.77 0.03 -0.92 -0.67 0.00 0.00 178.83 177.98 3m1i h TYR 994 N 0.51 0.04 -0.55 2.96 3.20 -0.83 -1.61 116.97 120.69 3m1i h TYR 994 Ca 0.11 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.89 3m1i h TYR 994 Cb 0.45 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 3m1i h TYR 994 CO 0.03 -0.01 -0.10 -0.07 -1.64 0.00 0.00 178.16 176.37 3m1i h LEU 995 N 0.13 1.05 -0.67 2.82 3.38 -1.15 -0.54 115.31 120.32 3m1i h LEU 995 Ca 0.14 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 3m1i h LEU 995 Cb 0.17 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3m1i h LEU 995 CO -0.22 1.15 0.34 0.00 0.09 0.00 0.00 178.44 179.81 3m1i h ALA 996 N 0.93 0.86 -0.30 1.53 0.00 -0.81 -0.82 119.26 120.66 3m1i h ALA 996 Ca 0.14 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3m1i h ALA 996 Cb 0.67 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3m1i h ALA 996 CO 0.05 0.41 0.06 -0.97 0.00 0.00 0.00 179.25 178.79 3m1i h ASN 997 N 0.92 0.47 -0.23 0.00 -1.24 -1.14 -0.75 115.58 113.62 3m1i h ASN 997 Ca 0.23 -0.25 0.00 0.00 0.71 0.00 0.00 56.30 57.00 3m1i h ASN 997 Cb 0.09 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.00 3m1i h ASN 997 CO -0.03 0.60 0.15 -0.03 -1.29 0.00 0.00 177.43 176.82 3m1i h MET 998 N 0.32 0.30 -0.19 6.67 4.05 -0.82 -1.66 114.93 123.60 3m1i h MET 998 Ca 0.09 -0.02 -0.16 0.00 -0.28 0.00 0.00 59.70 59.33 3m1i h MET 998 Cb 0.32 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 3m1i h MET 998 CO 0.00 0.20 -0.56 -0.07 0.23 0.00 0.00 176.91 176.71 3m1i h LEU 999 N 0.30 0.65 -0.69 3.39 3.38 -1.02 -0.56 115.31 120.76 3m1i h LEU 999 Ca 0.08 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.72 3m1i h LEU 999 Cb -0.03 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 3m1i h LEU 999 CO -0.02 1.07 0.44 -1.28 0.09 0.00 0.00 178.44 178.74 3m1i h SER 1000N 0.45 0.73 0.13 -0.43 0.87 -0.97 0.46 113.55 114.79 3m1i h SER 1000Ca 0.01 -0.01 -0.24 0.00 -1.23 0.00 0.00 61.79 60.32 3m1i h SER 1000Cb 1.11 -0.17 0.01 0.00 -0.44 0.00 0.00 62.40 62.91 3m1i h SER 1000CO 0.11 0.52 -0.96 0.78 -0.53 0.00 0.00 176.83 176.75 3m1i h ASN 1001N 0.87 0.75 0.05 6.23 2.35 -1.04 -2.97 115.58 121.82 3m1i h ASN 1001Ca 0.27 -0.58 -0.16 0.00 -0.55 0.00 0.00 56.30 55.28 3m1i h ASN 1001Cb -0.03 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 3m1i h ASN 1001CO -0.09 1.37 -0.54 0.00 -1.65 0.00 0.00 177.43 176.53 3m1i h ALA 1002N 0.58 0.73 -2.51 -0.83 0.00 -0.96 -3.38 119.26 112.89 3m1i h ALA 1002Ca -0.10 -0.51 -0.60 0.00 0.00 0.00 0.00 54.91 53.71 3m1i h ALA 1002Cb 1.59 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 18.90 3m1i h ALA 1002CO 0.18 0.69 -0.79 1.19 0.00 0.00 0.00 179.25 180.52 3m1i n PHE 1003N -3.96 1.48 0.33 0.00 3.01 0.16 -4.97 117.46 113.51 3m1i n PHE 1003Ca -0.03 -3.86 0.15 0.00 1.01 0.00 0.00 57.45 54.72 3m1i n PHE 1003Cb 0.60 -0.30 0.63 0.00 -0.01 0.00 0.00 39.48 40.40 3m1i n PHE 1003CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3m1i h PRO 1004N 4.98 0.00 0.00 -1.08 0.13 -1.71 -2.22 132.00 132.10 3m1i h PRO 1004Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3m1i h PRO 1004Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3m1i h PRO 1004CO 0.60 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 175.98 3m1i n HIS 1005N -2.69 0.00 -3.21 1.56 1.44 -1.26 -4.82 115.22 106.24 3m1i n HIS 1005Ca 0.01 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.39 3m1i n HIS 1005Cb 0.25 -0.19 -0.06 0.00 0.12 0.00 0.00 29.99 30.11 3m1i n HIS 1005CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3m1i s LEU 1006N -2.37 4.12 0.58 2.39 1.43 -0.84 -4.68 118.68 119.31 3m1i s LEU 1006Ca 0.31 1.19 -0.15 0.00 -1.03 0.00 0.00 54.13 54.45 3m1i s LEU 1006Cb 0.18 -3.91 -0.05 0.00 0.03 0.00 0.00 46.19 42.44 3m1i s LEU 1006CO 0.37 -0.14 1.03 0.42 0.23 0.00 0.00 176.35 178.26 3m1i s THR 1007N -1.89 4.21 0.33 5.49 -4.23 -1.26 -4.94 115.64 113.36 3m1i s THR 1007Ca 0.51 0.97 0.02 0.00 -1.18 0.00 0.00 61.69 62.02 3m1i s THR 1007Cb -0.11 -3.57 0.28 0.00 1.34 0.00 0.00 72.50 70.44 3m1i s THR 1007CO 0.19 -0.69 1.96 0.28 -0.54 0.00 0.00 174.62 175.82 3m1i h SER 1008N 0.40 0.79 -0.08 3.99 0.02 -1.97 -2.28 113.55 114.42 3m1i h SER 1008Ca -0.46 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.48 3m1i h SER 1008Cb 1.20 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.56 3m1i h SER 1008CO 0.59 0.54 0.05 -0.08 -1.14 0.00 0.00 176.83 176.79 3m1i h GLU 1009N 0.91 0.12 -0.71 3.45 4.81 -1.98 0.36 114.58 121.53 3m1i h GLU 1009Ca 0.31 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.54 3m1i h GLU 1009Cb 0.08 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 3m1i h GLU 1009CO -0.09 0.15 0.47 -0.56 -0.73 0.00 0.00 179.01 178.25 3m1i h GLN 1010N 0.05 0.91 -0.23 1.92 3.07 -1.82 -0.30 115.11 118.71 3m1i h GLN 1010Ca 0.03 -0.05 -0.05 0.00 0.09 0.00 0.00 58.65 58.66 3m1i h GLN 1010Cb 0.07 -0.21 -0.01 0.00 0.08 0.00 0.00 27.48 27.42 3m1i h GLN 1010CO -0.00 0.60 -0.05 0.82 0.09 0.00 0.00 178.83 180.29 3m1i h ILE 1011N 0.94 1.28 -0.32 1.86 2.04 -1.22 -1.76 117.51 120.33 3m1i h ILE 1011Ca 0.27 -1.04 -0.07 0.00 1.00 0.00 0.00 64.86 65.02 3m1i h ILE 1011Cb -0.07 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 3m1i h ILE 1011CO -0.06 0.32 -0.09 0.00 0.00 0.00 0.00 178.15 178.32 3m1i h ALA 1012N 0.76 1.25 -0.20 1.87 0.00 -0.40 -1.16 119.26 121.37 3m1i h ALA 1012Ca 0.06 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.53 3m1i h ALA 1012Cb 0.51 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3m1i h ALA 1012CO 0.02 0.49 -0.62 0.77 0.00 0.00 0.00 179.25 179.92 3m1i h SER 1013N 0.49 0.78 0.33 0.00 0.02 -0.95 -1.13 113.55 113.09 3m1i h SER 1013Ca 0.09 -0.45 -0.01 0.00 -0.84 0.00 0.00 61.79 60.59 3m1i h SER 1013Cb 0.46 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 3m1i h SER 1013CO 0.03 1.21 -0.24 0.15 -1.14 0.00 0.00 176.83 176.84 3m1i h PHE 1014N 0.51 -0.62 -0.36 3.45 3.57 -1.08 -0.10 116.94 122.31 3m1i h PHE 1014Ca -0.01 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 3m1i h PHE 1014Cb 1.21 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 40.16 3m1i h PHE 1014CO 0.06 -0.36 -0.24 -0.07 -2.23 0.00 0.00 178.31 175.48 3m1i h LEU 1015N -0.56 0.74 -0.51 0.59 3.38 -1.18 -1.29 115.31 116.48 3m1i h LEU 1015Ca -0.03 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.72 3m1i h LEU 1015Cb 0.48 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 3m1i h LEU 1015CO 0.01 0.96 0.24 -1.28 0.09 0.00 0.00 178.44 178.46 3m1i h SER 1016N 0.63 0.33 0.23 -0.43 0.87 -1.06 -1.53 113.55 112.60 3m1i h SER 1016Ca 0.09 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 3m1i h SER 1016Cb 0.74 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 3m1i h SER 1016CO 0.06 0.23 -0.11 0.00 -0.53 0.00 0.00 176.83 176.47 3m1i h ALA 1017N 1.29 -0.31 -0.57 6.23 0.00 -0.46 -2.94 119.26 122.49 3m1i h ALA 1017Ca 0.23 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.15 3m1i h ALA 1017Cb 0.16 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 3m1i h ALA 1017CO -0.18 -0.66 0.19 -0.07 0.00 0.00 0.00 179.25 178.53 3m1i h LEU 1018N -0.34 0.17 0.00 0.00 3.38 -1.05 -0.52 115.31 116.95 3m1i h LEU 1018Ca -0.03 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3m1i h LEU 1018Cb 0.26 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3m1i h LEU 1018CO 0.05 0.11 0.00 0.35 0.09 0.00 0.00 178.44 179.05 3m1i n THR 1019N -5.02 0.67 1.01 0.22 -2.24 -0.60 -2.25 114.28 106.07 3m1i n THR 1019Ca 0.07 0.17 0.10 0.00 -2.27 0.00 0.00 64.05 62.13 3m1i n THR 1019Cb 0.25 -0.85 -0.06 0.00 -2.10 0.00 0.00 70.33 67.57 3m1i n THR 1019CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3m1i n LYS 1020N -1.46 0.34 -0.02 -0.78 5.02 -0.26 -4.56 118.16 116.44 3m1i n LYS 1020Ca 0.05 -0.28 0.01 0.00 -2.02 0.00 0.00 58.31 56.08 3m1i n LYS 1020Cb 0.20 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 33.74 3m1i n LYS 1020CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3m1i n GLN 1021N -1.09 1.90 0.00 1.97 6.02 -0.88 -4.75 117.38 120.55 3m1i n GLN 1021Ca 0.06 -1.32 0.08 0.00 -0.01 0.00 0.00 57.00 55.80 3m1i n GLN 1021Cb 0.37 -1.05 0.39 0.00 1.02 0.00 0.00 30.24 30.97 3m1i n GLN 1021CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 177.06 178.53 3m1i n TYR 1022N -0.18 0.00 1.21 1.08 0.18 -1.15 -1.29 117.16 117.01 3m1i n TYR 1022Ca 0.02 0.00 0.13 0.00 1.88 0.00 0.00 57.90 59.93 3m1i n TYR 1022Cb 0.22 -0.30 0.33 0.00 -0.38 0.00 0.00 39.34 39.21 3m1i n TYR 1022CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 3m1i n LYS 1023N -1.30 0.83 -3.80 -3.48 5.02 -1.26 -4.80 118.16 109.36 3m1i n LYS 1023Ca 0.07 -0.51 -0.30 0.00 -2.02 0.00 0.00 58.31 55.55 3m1i n LYS 1023Cb 0.13 -1.49 -0.15 0.00 -0.02 0.00 0.00 35.03 33.50 3m1i n LYS 1023CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3m1i s ASP 1024N -2.53 4.19 0.09 4.39 -1.08 -0.41 -5.00 116.67 116.33 3m1i s ASP 1024Ca 0.23 -1.84 -0.21 0.00 -0.52 0.00 0.00 52.55 50.21 3m1i s ASP 1024Cb 0.19 -1.07 -0.11 0.00 -1.46 0.00 0.00 42.92 40.47 3m1i s ASP 1024CO 0.54 -0.40 1.69 0.25 0.52 0.00 0.00 175.17 177.77 3m1i h LEU 1025N 7.88 0.15 -0.68 -1.34 5.85 -1.89 0.10 115.31 125.38 3m1i h LEU 1025Ca -0.10 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.59 3m1i h LEU 1025Cb 1.01 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.95 3m1i h LEU 1025CO 0.49 0.19 0.39 0.58 -0.34 0.00 0.00 178.44 179.74 3m1i h VAL 1026N 0.10 1.00 -0.16 1.05 2.07 -1.94 0.17 116.25 118.54 3m1i h VAL 1026Ca 0.04 -0.25 -0.17 0.00 0.82 0.00 0.00 66.70 67.14 3m1i h VAL 1026Cb 0.07 0.20 0.01 0.00 -1.52 0.00 0.00 31.29 30.05 3m1i h VAL 1026CO -0.01 0.13 -0.56 0.58 0.02 0.00 0.00 177.57 177.74 3m1i h VAL 1027N 0.73 1.32 -0.63 2.57 2.07 -1.78 -2.17 116.25 118.36 3m1i h VAL 1027Ca 0.30 -1.81 -0.02 0.00 0.82 0.00 0.00 66.70 65.99 3m1i h VAL 1027Cb 0.15 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 3m1i h VAL 1027CO -0.16 0.56 0.30 0.15 0.02 0.00 0.00 177.57 178.44 3m1i h PHE 1028N 0.35 0.91 -0.38 1.57 3.57 -0.59 -1.15 116.94 121.22 3m1i h PHE 1028Ca -0.02 -0.05 -0.10 0.00 3.53 0.00 0.00 57.97 61.33 3m1i h PHE 1028Cb 1.19 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 3m1i h PHE 1028CO 0.10 0.69 -0.18 0.87 -2.23 0.00 0.00 178.31 177.56 3m1i h LYS 1029N 0.87 0.71 -0.99 1.11 1.57 -0.98 -1.39 116.57 117.48 3m1i h LYS 1029Ca 0.22 -0.26 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3m1i h LYS 1029Cb 0.12 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.33 3m1i h LYS 1029CO -0.03 0.85 0.65 0.78 -0.57 0.00 0.00 179.45 181.13 3m1i h GLY 1030N 0.98 1.41 0.94 3.86 0.00 -0.75 -0.56 103.07 108.95 3m1i h GLY 1030Ca 0.10 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 3m1i h GLY 1030CO 0.05 0.48 0.14 -0.84 0.00 0.00 0.00 176.54 176.37 3m1i h THR 1031N 1.31 1.20 -0.68 4.70 2.02 -0.89 0.62 112.91 121.19 3m1i h THR 1031Ca 0.37 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 3m1i h THR 1031Cb -0.10 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 3m1i h THR 1031CO -0.10 0.23 0.39 -0.07 0.37 0.00 0.00 175.52 176.35 3m1i h LEU 1032N 0.49 0.84 -0.54 2.58 3.38 -1.08 -1.41 115.31 119.57 3m1i h LEU 1032Ca 0.13 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3m1i h LEU 1032Cb 0.22 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3m1i h LEU 1032CO -0.01 0.68 0.16 0.03 0.09 0.00 0.00 178.44 179.39 3m1i h ARG 1033N 0.94 0.85 -0.66 1.13 3.08 -0.86 -1.22 114.38 117.64 3m1i h ARG 1033Ca 0.24 -0.19 0.08 0.00 0.07 0.00 0.00 59.98 60.19 3m1i h ARG 1033Cb 0.01 -0.12 -0.07 0.00 0.08 0.00 0.00 29.97 29.87 3m1i h ARG 1033CO -0.04 0.79 0.32 -0.44 -1.07 0.00 0.00 179.97 179.52 3m1i h ASP 1034N 0.76 0.41 -0.57 7.04 3.45 -0.67 -1.08 116.42 125.76 3m1i h ASP 1034Ca 0.17 0.06 0.05 0.00 0.43 0.00 0.00 57.03 57.74 3m1i h ASP 1034Cb 0.30 -0.01 -0.05 0.00 -0.56 0.00 0.00 39.33 39.01 3m1i h ASP 1034CO -0.00 0.25 0.31 0.15 -1.57 0.00 0.00 179.24 178.37 3m1i h PHE 1035N 0.56 0.57 -0.41 4.55 3.57 -0.86 -1.00 116.94 123.93 3m1i h PHE 1035Ca 0.32 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 3m1i h PHE 1035Cb 0.33 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 3m1i h PHE 1035CO -0.12 0.29 0.19 -0.07 -2.23 0.00 0.00 178.31 176.37 3m1i h LEU 1036N 0.59 0.50 0.02 0.59 3.38 -0.69 0.18 115.31 119.89 3m1i h LEU 1036Ca 0.25 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 3m1i h LEU 1036Cb 0.13 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3m1i h LEU 1036CO -0.15 0.44 -0.01 0.58 0.09 0.00 0.00 178.44 179.39 3m1i h VAL 1037N 0.57 1.18 0.00 1.22 2.07 -0.88 -3.26 116.25 117.15 3m1i h VAL 1037Ca 0.14 -0.60 -0.07 0.00 0.82 0.00 0.00 66.70 66.99 3m1i h VAL 1037Cb 0.07 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 3m1i h VAL 1037CO -0.02 0.15 -0.33 1.56 0.02 0.00 0.00 177.57 178.96 3m1i h GLN 1038N -0.28 0.00 0.00 1.57 4.20 -0.32 -1.95 115.11 118.32 3m1i h GLN 1038Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3m1i h GLN 1038Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 3m1i h GLN 1038CO 0.00 0.33 0.00 0.44 -0.67 0.00 0.00 178.83 178.93 3m1i n ILE 1039N -4.06 0.78 1.67 2.54 -5.35 0.56 -2.05 119.36 113.44 3m1i n ILE 1039Ca -0.02 0.13 0.15 0.00 -0.27 0.00 0.00 62.75 62.74 3m1i n ILE 1039Cb 0.37 -1.01 0.67 0.00 -1.74 0.00 0.00 39.64 37.94 3m1i n ILE 1039CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3m1i n LYS 1040N -2.10 1.42 -4.34 6.28 5.02 -0.73 -4.90 118.16 118.81 3m1i n LYS 1040Ca 0.03 -0.62 -0.19 0.00 -2.02 0.00 0.00 58.31 55.51 3m1i n LYS 1040Cb 0.26 -1.49 -0.09 0.00 -0.02 0.00 0.00 35.03 33.69 3m1i n LYS 1040CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3m1i s GLU 1041N -2.00 1.63 -0.01 1.97 -1.05 -0.87 -4.80 118.70 113.57 3m1i s GLU 1041Ca 0.41 -1.94 0.01 0.00 -0.15 0.00 0.00 54.97 53.31 3m1i s GLU 1041Cb 0.21 -0.08 -0.04 0.00 -0.44 0.00 0.00 34.13 33.79 3m1i s GLU 1041CO 0.35 -0.48 0.00 0.08 0.95 0.00 0.00 175.26 176.16 3m1i s VAL 1042N -3.57 4.18 0.00 1.83 1.01 -0.62 -4.72 120.40 118.51 3m1i s VAL 1042Ca 0.35 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.77 3m1i s VAL 1042Cb 0.04 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.57 3m1i s VAL 1042CO 0.18 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.29 3m1i n GLY 1043N 1.46 0.60 3.71 4.51 0.00 -1.26 -4.50 105.19 109.72 3m1i n GLY 1043Ca -0.15 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.68 3m1i n GLY 1043CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m1i n GLY 1044N -1.86 0.55 3.65 -0.02 0.00 -1.26 -4.94 105.19 101.31 3m1i n GLY 1044Ca 0.00 0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 3m1i n GLY 1044CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3m1i s ASP 1045N -0.80 6.94 0.48 1.61 -1.08 -1.26 -4.91 116.67 117.64 3m1i s ASP 1045Ca 0.68 1.28 0.32 0.00 -0.52 0.00 0.00 52.55 54.31 3m1i s ASP 1045Cb -0.45 -2.54 1.49 0.00 -1.46 0.00 0.00 42.92 39.96 3m1i s ASP 1045CO 0.52 -0.84 1.97 1.55 0.52 0.00 0.00 175.17 178.90 3m1i h PRO 1046N 8.14 0.00 0.00 4.34 0.13 -1.92 -1.56 132.00 141.14 3m1i h PRO 1046Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 3m1i h PRO 1046Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3m1i h PRO 1046CO 1.01 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 179.03 3m1i n THR 1047N -2.79 0.63 0.27 1.56 -2.24 -1.26 -2.90 114.28 107.54 3m1i n THR 1047Ca -0.00 0.06 0.10 0.00 -2.27 0.00 0.00 64.05 61.94 3m1i n THR 1047Cb 0.21 -0.83 0.71 0.00 -2.10 0.00 0.00 70.33 68.31 3m1i n THR 1047CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3m1i h ASP 1048N 0.00 0.00 0.06 3.42 3.32 -1.69 -0.80 116.42 120.73 3m1i h ASP 1048Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3m1i h ASP 1048Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3m1i h ASP 1048CO 0.00 0.03 0.00 -1.22 -1.72 0.00 0.00 179.24 176.33 3m1i n TYR 1049N -4.28 0.00 0.11 4.55 4.01 -1.14 -2.18 117.16 118.24 3m1i n TYR 1049Ca -0.03 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.79 3m1i n TYR 1049Cb 0.11 -0.04 0.26 0.00 -0.31 0.00 0.00 39.34 39.36 3m1i n TYR 1049CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3m1i n LEU 1050N -1.04 3.28 -0.21 7.72 4.77 -0.31 -4.53 117.00 126.68 3m1i n LEU 1050Ca 0.18 -1.64 0.02 0.00 -0.03 0.00 0.00 56.01 54.53 3m1i n LEU 1050Cb 0.10 -0.42 0.13 0.00 -2.33 0.00 0.00 43.42 40.89 3m1i n LEU 1050CO 0.14 0.69 0.93 0.15 -1.33 0.00 0.00 177.39 177.98 3m1i h PHE 1051N 3.17 0.24 0.00 -1.77 3.57 -1.59 -1.09 116.94 119.47 3m1i h PHE 1051Ca 0.00 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.43 3m1i h PHE 1051Cb 0.92 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 3m1i h PHE 1051CO 0.46 -0.03 -0.52 0.00 -2.23 0.00 0.00 178.31 175.99 3m1i h ALA 1052N 1.51 1.05 0.00 2.41 0.00 -1.86 -2.94 119.26 119.43 3m1i h ALA 1052Ca 0.34 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3m1i h ALA 1052Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3m1i h ALA 1052CO -0.42 0.65 0.00 -0.85 0.00 0.00 0.00 179.25 178.63 3m1i n GLU 1053N -3.79 0.02 -0.01 0.00 -0.00 -0.41 -2.31 120.64 114.14 3m1i n GLU 1053Ca -0.01 0.48 0.08 0.00 -0.00 0.00 0.00 57.16 57.71 3m1i n GLU 1053Cb 0.55 -1.57 -0.12 0.00 -0.00 0.00 0.00 31.44 30.30 3m1i n GLU 1053CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3m1i n ASP 1054N -1.62 1.29 0.02 -1.84 8.00 -1.11 -2.55 116.55 118.73 3m1i n ASP 1054Ca 0.00 -0.12 0.12 0.00 0.71 0.00 0.00 54.79 55.50 3m1i n ASP 1054Cb 0.04 1.62 0.24 0.00 -0.02 0.00 0.00 41.12 42.99 3m1i n ASP 1054CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3m1i n LYS 1055N -1.95 0.09 0.05 -1.24 4.01 -1.13 0.13 118.16 118.11 3m1i n LYS 1055Ca -0.02 0.02 -0.12 0.00 -0.51 0.00 0.00 58.31 57.68 3m1i n LYS 1055Cb 0.39 -1.55 -0.13 0.00 -0.51 0.00 0.00 35.03 33.22 3m1i n LYS 1055CO 0.00 0.00 0.00 1.05 -1.11 0.00 0.00 177.40 177.34 3m1i h GLU 1056N 0.00 0.14 0.42 1.97 4.11 -1.61 -3.37 114.58 116.24 3m1i h GLU 1056Ca 0.00 -0.23 -0.02 0.00 0.07 0.00 0.00 59.36 59.18 3m1i h GLU 1056Cb 0.57 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3m1i h GLU 1056CO 0.00 0.99 -0.20 -0.91 0.07 0.00 0.00 179.01 178.96 3m1i h ASN 1057N 0.04 -0.47 0.00 3.06 4.21 -1.44 -3.51 115.58 117.46 3m1i h ASN 1057Ca -0.16 -0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.31 3m1i h ASN 1057Cb 1.93 0.12 0.00 0.00 -1.12 0.00 0.00 38.32 39.26 3m1i h ASN 1057CO 0.14 -0.04 0.00 0.00 -1.29 0.00 0.00 177.43 176.25