#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o1i s HIS 2 N 0.00 1.18 -0.02 1.12 5.65 -1.26 -5.09 115.29 116.87 1o1i s HIS 2 Ca 0.00 -1.48 -0.09 0.00 0.25 0.00 0.00 55.06 53.74 1o1i s HIS 2 Cb 0.00 -1.39 -0.05 0.00 -1.18 0.00 0.00 32.58 29.96 1o1i s HIS 2 CO 0.00 -0.85 0.29 -0.51 -0.65 0.00 0.00 174.74 173.01 1o1i s LEU 3 N 1.67 4.40 0.93 8.88 1.43 -1.26 -5.10 118.68 129.64 1o1i s LEU 3 Ca 0.11 0.67 -0.12 0.00 -1.03 0.00 0.00 54.13 53.76 1o1i s LEU 3 Cb -0.18 -2.52 0.15 0.00 0.03 0.00 0.00 46.19 43.68 1o1i s LEU 3 CO -0.26 0.31 1.09 0.42 0.23 0.00 0.00 176.35 178.14 1o1i s THR 4 N -1.18 2.49 0.37 5.49 -4.23 -1.26 -4.81 115.64 112.51 1o1i s THR 4 Ca 0.24 0.16 0.07 0.00 -1.18 0.00 0.00 61.69 60.97 1o1i s THR 4 Cb -0.14 -2.58 0.18 0.00 1.34 0.00 0.00 72.50 71.30 1o1i s THR 4 CO 0.12 -0.21 1.92 -0.65 -0.54 0.00 0.00 174.62 175.26 1o1i h PRO 5 N -1.71 0.42 -0.41 3.99 0.11 -1.99 -0.63 132.00 131.78 1o1i h PRO 5 Ca -0.51 -0.08 0.01 0.00 0.11 0.00 0.00 66.00 65.54 1o1i h PRO 5 Cb 1.29 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1o1i h PRO 5 CO 0.54 0.45 0.26 0.93 -0.21 0.00 0.00 178.00 179.97 1o1i h GLU 6 N 0.41 0.50 -0.67 1.05 3.07 -2.00 -1.93 114.58 115.01 1o1i h GLU 6 Ca 0.09 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 58.85 1o1i h GLU 6 Cb 0.28 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.05 1o1i h GLU 6 CO 0.01 0.33 0.15 0.93 -1.40 0.00 0.00 179.01 179.03 1o1i h GLU 7 N 0.52 1.07 -0.44 2.33 5.08 -1.72 -2.45 114.58 118.97 1o1i h GLU 7 Ca 0.16 -0.26 -0.11 0.00 -1.00 0.00 0.00 59.36 58.16 1o1i h GLU 7 Cb -0.02 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1o1i h GLU 7 CO -0.06 0.96 -0.15 0.87 -1.00 0.00 0.00 179.01 179.62 1o1i h LYS 8 N 1.02 0.83 0.14 2.33 1.57 -0.79 -2.04 116.57 119.63 1o1i h LYS 8 Ca 0.21 -0.31 -0.28 0.00 -1.87 0.00 0.00 60.65 58.41 1o1i h LYS 8 Cb 0.37 -0.05 0.03 0.00 0.08 0.00 0.00 32.23 32.66 1o1i h LYS 8 CO 0.00 0.93 -1.17 0.66 -0.57 0.00 0.00 179.45 179.30 1o1i h SER 9 N 0.74 0.79 -0.39 0.86 4.64 -1.30 -1.67 113.55 117.23 1o1i h SER 9 Ca 0.11 -0.86 0.03 0.00 -0.47 0.00 0.00 61.79 60.61 1o1i h SER 9 Cb 0.66 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 62.47 1o1i h SER 9 CO 0.05 1.57 0.18 0.00 -0.87 0.00 0.00 176.83 177.76 1o1i h ALA 10 N 0.23 0.47 -0.50 5.18 0.00 -1.45 1.45 119.26 124.65 1o1i h ALA 10 Ca -0.19 0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.82 1o1i h ALA 10 Cb 1.88 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.57 1o1i h ALA 10 CO 0.22 -0.19 0.15 0.28 0.00 0.00 0.00 179.25 179.71 1o1i h VAL 11 N 0.37 0.79 -0.44 0.00 2.07 -1.39 -1.15 116.25 116.50 1o1i h VAL 11 Ca 0.17 -0.11 -0.08 0.00 0.82 0.00 0.00 66.70 67.50 1o1i h VAL 11 Cb 0.10 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1o1i h VAL 11 CO -0.13 0.06 -0.03 0.74 0.02 0.00 0.00 177.57 178.23 1o1i h THR 12 N 0.31 1.27 -0.93 2.57 2.02 -0.36 -1.82 112.91 115.97 1o1i h THR 12 Ca 0.24 -1.09 0.01 0.00 0.77 0.00 0.00 66.41 66.34 1o1i h THR 12 Cb 0.28 1.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.74 1o1i h THR 12 CO -0.27 0.37 0.61 0.00 0.37 0.00 0.00 175.52 176.61 1o1i h ALA 13 N 0.89 1.18 -0.10 6.16 0.00 0.24 -2.96 119.26 124.68 1o1i h ALA 13 Ca 0.12 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1o1i h ALA 13 Cb 0.54 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1o1i h ALA 13 CO 0.03 0.57 -0.18 1.25 0.00 0.00 0.00 179.25 180.92 1o1i h LEU 14 N 1.25 0.32 -2.08 0.00 6.46 -1.10 -3.18 115.31 116.98 1o1i h LEU 14 Ca 0.34 -0.55 0.00 0.00 -0.12 0.00 0.00 57.88 57.55 1o1i h LEU 14 Cb -0.14 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 39.70 1o1i h LEU 14 CO -0.07 0.81 0.00 -0.25 -0.62 0.00 0.00 178.44 178.31 1o1i h TRP 15 N -0.15 0.00 -0.21 1.25 2.91 -1.21 -0.97 115.95 117.58 1o1i h TRP 15 Ca 0.01 0.00 -0.11 0.00 1.13 0.00 0.00 58.89 59.92 1o1i h TRP 15 Cb 0.75 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.39 1o1i h TRP 15 CO 0.11 0.00 -0.33 0.78 -1.03 0.00 0.00 178.44 177.97 1o1i h GLY 16 N 0.29 0.46 -1.47 2.65 0.00 -1.50 -2.80 103.07 100.70 1o1i h GLY 16 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1o1i h GLY 16 CO 0.00 0.38 0.00 0.28 0.00 0.00 0.00 176.54 177.20 1o1i n LYS 17 N -4.08 2.04 -3.64 4.80 5.02 -0.37 -4.85 118.16 117.10 1o1i n LYS 17 Ca -0.01 -1.10 -0.37 0.00 -2.02 0.00 0.00 58.31 54.81 1o1i n LYS 17 Cb 0.45 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 33.87 1o1i n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1o1i s VAL 18 N -1.65 5.30 -0.62 -0.18 1.01 -1.06 -5.06 120.40 118.15 1o1i s VAL 18 Ca 0.20 0.16 -0.20 0.00 0.00 0.00 0.00 61.98 62.14 1o1i s VAL 18 Cb 0.13 -3.50 0.10 0.00 0.00 0.00 0.00 36.38 33.11 1o1i s VAL 18 CO 0.10 0.31 0.78 0.21 0.00 0.00 0.00 175.10 176.49 1o1i s ASN 19 N 1.36 6.20 0.60 3.32 3.84 -1.26 -4.92 114.94 124.08 1o1i s ASN 19 Ca 0.07 -1.37 0.32 0.00 0.21 0.00 0.00 52.86 52.09 1o1i s ASN 19 Cb -0.15 -2.33 1.88 0.00 -0.55 0.00 0.00 41.25 40.10 1o1i s ASN 19 CO 0.07 -1.19 2.24 -0.37 -2.79 0.00 0.00 177.10 175.06 1o1i h VAL 20 N 5.92 0.44 -0.03 -5.21 -1.51 -1.97 -3.01 116.25 110.87 1o1i h VAL 20 Ca -0.27 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 1o1i h VAL 20 Cb 1.08 0.96 -0.01 0.00 -2.13 0.00 0.00 31.29 31.20 1o1i h VAL 20 CO 1.12 0.00 -0.06 0.44 -1.23 0.00 0.00 177.57 177.84 1o1i h ASP 21 N 0.00 -0.19 0.34 4.19 3.32 -1.93 0.19 116.42 122.34 1o1i h ASP 21 Ca 0.02 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 1o1i h ASP 21 Cb 0.10 0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1o1i h ASP 21 CO -0.00 -0.04 -0.16 -0.33 -1.72 0.00 0.00 179.24 176.98 1o1i h GLU 22 N -0.05 -0.43 -1.12 3.56 3.07 -1.94 -3.32 114.58 114.35 1o1i h GLU 22 Ca 0.01 0.03 0.31 0.00 -0.50 0.00 0.00 59.36 59.20 1o1i h GLU 22 Cb 0.06 0.10 -0.09 0.00 -0.84 0.00 0.00 28.75 27.99 1o1i h GLU 22 CO -0.06 -0.29 0.74 0.28 -1.40 0.00 0.00 179.01 178.28 1o1i h VAL 23 N -1.01 0.44 -0.92 3.13 2.07 -1.62 0.18 116.25 118.52 1o1i h VAL 23 Ca -0.05 -0.09 0.08 0.00 0.82 0.00 0.00 66.70 67.46 1o1i h VAL 23 Cb 0.35 0.16 -0.07 0.00 -1.52 0.00 0.00 31.29 30.21 1o1i h VAL 23 CO 0.08 0.05 0.58 1.23 0.02 0.00 0.00 177.57 179.52 1o1i h GLY 24 N 0.26 1.42 1.53 2.17 0.00 -0.71 -1.53 103.07 106.21 1o1i h GLY 24 Ca 0.62 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1o1i h GLY 24 CO -0.24 0.25 -0.46 -1.33 0.00 0.00 0.00 176.54 174.76 1o1i h GLY 25 N 1.02 0.00 2.00 4.60 0.00 -0.79 -3.16 103.07 106.74 1o1i h GLY 25 Ca 0.42 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.64 1o1i h GLY 25 CO -0.20 0.00 -0.51 0.83 0.00 0.00 0.00 176.54 176.66 1o1i h GLU 26 N 0.00 0.00 0.01 4.80 4.39 -0.64 -1.51 114.58 121.63 1o1i h GLU 26 Ca 0.00 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 1o1i h GLU 26 Cb 0.98 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.61 1o1i h GLU 26 CO 0.00 0.51 -0.54 0.00 -1.16 0.00 0.00 179.01 177.82 1o1i h ALA 27 N 1.49 0.10 -0.06 3.43 0.00 -1.46 -2.49 119.26 120.26 1o1i h ALA 27 Ca -0.01 -0.78 0.02 0.00 0.00 0.00 0.00 54.91 54.14 1o1i h ALA 27 Cb 1.03 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1o1i h ALA 27 CO 0.07 0.30 -0.05 1.25 0.00 0.00 0.00 179.25 180.82 1o1i h LEU 28 N -0.93 -0.17 -0.18 0.00 6.46 -1.64 -0.02 115.31 118.84 1o1i h LEU 28 Ca -0.14 0.04 0.05 0.00 -0.12 0.00 0.00 57.88 57.71 1o1i h LEU 28 Cb 1.17 0.09 -0.06 0.00 -0.73 0.00 0.00 40.66 41.13 1o1i h LEU 28 CO -0.06 -0.07 -0.21 1.23 -0.62 0.00 0.00 178.44 178.71 1o1i h GLY 29 N -0.06 -0.14 1.98 3.75 0.00 -1.39 -1.50 103.07 105.70 1o1i h GLY 29 Ca 0.05 0.25 -0.07 0.00 0.00 0.00 0.00 47.33 47.56 1o1i h GLY 29 CO -0.10 -0.18 -0.32 3.21 0.00 0.00 0.00 176.54 179.14 1o1i h ARG 30 N -0.24 0.03 -0.44 4.80 3.08 -1.25 -1.51 114.38 118.86 1o1i h ARG 30 Ca 0.12 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 1o1i h ARG 30 Cb 0.41 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1o1i h ARG 30 CO -0.32 0.35 0.17 1.25 -1.07 0.00 0.00 179.97 180.35 1o1i h LEU 31 N 0.02 0.56 -0.04 3.04 5.85 -0.01 -0.50 115.31 124.24 1o1i h LEU 31 Ca 0.00 -0.06 -0.26 0.00 0.84 0.00 0.00 57.88 58.40 1o1i h LEU 31 Cb 0.59 -0.14 0.02 0.00 0.37 0.00 0.00 40.66 41.49 1o1i h LEU 31 CO 0.04 0.52 -1.04 -0.07 -0.34 0.00 0.00 178.44 177.55 1o1i h LEU 32 N 0.62 0.78 0.08 2.25 3.38 -0.54 -2.36 115.31 119.52 1o1i h LEU 32 Ca 0.15 -0.64 -0.22 0.00 0.09 0.00 0.00 57.88 57.26 1o1i h LEU 32 Cb 0.13 -0.24 0.02 0.00 0.09 0.00 0.00 40.66 40.66 1o1i h LEU 32 CO -0.01 1.44 -0.92 0.58 0.09 0.00 0.00 178.44 179.61 1o1i h VAL 33 N 0.33 1.38 0.11 1.22 2.07 -1.26 -3.27 116.25 116.83 1o1i h VAL 33 Ca -0.12 -2.34 -0.27 0.00 0.82 0.00 0.00 66.70 64.78 1o1i h VAL 33 Cb 1.69 2.77 -0.00 0.00 -1.52 0.00 0.00 31.29 34.23 1o1i h VAL 33 CO 0.20 0.69 -1.29 0.58 0.02 0.00 0.00 177.57 177.77 1o1i h VAL 34 N 0.00 1.43 -3.02 2.57 2.07 -1.21 -3.39 116.25 114.71 1o1i h VAL 34 Ca -0.14 -3.04 -0.62 0.00 0.82 0.00 0.00 66.70 63.73 1o1i h VAL 34 Cb 1.64 2.88 -0.41 0.00 -1.52 0.00 0.00 31.29 33.88 1o1i h VAL 34 CO 0.18 0.88 -0.64 -0.31 0.02 0.00 0.00 177.57 177.70 1o1i s TYR 35 N -2.65 3.14 0.60 1.57 2.02 -0.89 -4.99 117.35 116.15 1o1i s TYR 35 Ca -0.05 -3.15 0.31 0.00 -0.37 0.00 0.00 57.07 53.82 1o1i s TYR 35 Cb 0.07 -2.45 1.86 0.00 -0.40 0.00 0.00 41.96 41.04 1o1i s TYR 35 CO 0.87 -0.61 2.24 -1.35 -1.57 0.00 0.00 175.55 175.12 1o1i h PRO 36 N 5.61 0.00 0.00 -1.71 0.11 -1.76 -1.39 132.00 132.86 1o1i h PRO 36 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1o1i h PRO 36 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1o1i h PRO 36 CO 0.66 0.00 0.00 0.11 -0.21 0.00 0.00 178.00 178.56 1o1i h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.92 -2.41 115.95 112.36 1o1i h TRP 37 Ca 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 58.89 58.95 1o1i h TRP 37 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 29.34 1o1i h TRP 37 CO 0.00 0.00 -0.21 1.79 0.09 0.00 0.00 178.44 180.11 1o1i h THR 38 N 0.00 0.62 -0.79 0.12 1.35 -1.56 -2.83 112.91 109.81 1o1i h THR 38 Ca 0.00 -0.97 0.22 0.00 -0.55 0.00 0.00 66.41 65.11 1o1i h THR 38 Cb 0.43 1.64 -0.04 0.00 -1.73 0.00 0.00 68.15 68.45 1o1i h THR 38 CO 0.00 0.21 0.56 1.56 -0.25 0.00 0.00 175.52 177.60 1o1i h GLN 39 N 0.00 0.06 -0.75 4.72 4.20 -1.63 -1.49 115.11 120.22 1o1i h GLN 39 Ca -0.00 -0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.86 1o1i h GLN 39 Cb 0.62 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.34 1o1i h GLN 39 CO 0.03 0.04 0.50 -0.09 -0.67 0.00 0.00 178.83 178.64 1o1i h ARG 40 N 0.06 0.36 0.00 1.46 2.43 -1.70 -0.93 114.38 116.07 1o1i h ARG 40 Ca 0.38 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 1o1i h ARG 40 Cb 1.42 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.89 1o1i h ARG 40 CO -0.03 0.24 -0.02 0.74 -1.51 0.00 0.00 179.97 179.40 1o1i h PHE 41 N 0.38 0.00 -0.35 2.20 -1.00 -1.50 -3.33 116.94 113.35 1o1i h PHE 41 Ca 0.37 0.00 -0.23 0.00 2.81 0.00 0.00 57.97 60.92 1o1i h PHE 41 Cb 0.90 0.00 -0.16 0.00 3.61 0.00 0.00 35.95 40.30 1o1i h PHE 41 CO -0.00 0.00 -0.40 1.19 -1.61 0.00 0.00 178.31 177.49 1o1i n PHE 42 N -2.58 1.19 0.30 -0.55 3.01 -0.35 -4.82 117.46 113.64 1o1i n PHE 42 Ca 0.05 -1.80 0.15 0.00 1.01 0.00 0.00 57.45 56.86 1o1i n PHE 42 Cb 0.47 -0.40 0.68 0.00 -0.01 0.00 0.00 39.48 40.22 1o1i n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1o1i h GLU 43 N 1.35 0.00 -0.01 -1.08 5.08 -1.67 -0.60 114.58 117.66 1o1i h GLU 43 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1o1i h GLU 43 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1o1i h GLU 43 CO 0.39 0.00 -0.18 -1.13 -1.00 0.00 0.00 179.01 177.09 1o1i n SER 44 N -2.57 0.95 0.10 1.42 3.41 -1.26 -3.80 113.62 111.87 1o1i n SER 44 Ca 0.00 -0.91 0.12 0.00 -0.26 0.00 0.00 58.87 57.82 1o1i n SER 44 Cb 0.17 0.06 0.45 0.00 -0.26 0.00 0.00 64.21 64.63 1o1i n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1o1i n PHE 45 N -0.60 0.75 0.00 7.33 0.99 -0.23 -5.01 117.46 120.68 1o1i n PHE 45 Ca 0.14 0.25 0.00 0.00 -0.00 0.00 0.00 57.45 57.84 1o1i n PHE 45 Cb 0.33 -0.90 0.00 0.00 -1.00 0.00 0.00 39.48 37.91 1o1i n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1o1i n GLY 46 N 0.77 0.63 3.74 1.37 0.00 -1.25 -4.81 105.19 105.64 1o1i n GLY 46 Ca 0.04 -1.68 -0.39 0.00 0.00 0.00 0.00 46.02 43.99 1o1i n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1o1i s ASP 47 N -4.00 7.00 -0.04 1.61 3.68 -1.26 -4.91 116.67 118.76 1o1i s ASP 47 Ca 0.00 1.20 0.20 0.00 2.13 0.00 0.00 52.55 56.09 1o1i s ASP 47 Cb 0.00 -2.40 0.38 0.00 -1.45 0.00 0.00 42.92 39.45 1o1i s ASP 47 CO 0.00 -0.01 1.16 0.18 0.13 0.00 0.00 175.17 176.63 1o1i n LEU 48 N 3.22 1.23 -0.14 -1.34 4.77 -1.26 -4.19 117.00 119.29 1o1i n LEU 48 Ca -0.04 -2.26 -0.11 0.00 -0.03 0.00 0.00 56.01 53.57 1o1i n LEU 48 Cb 0.51 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.48 1o1i n LEU 48 CO 0.46 0.64 0.73 0.77 -1.33 0.00 0.00 177.39 178.65 1o1i h SER 49 N 0.87 0.78 -2.15 -1.43 4.64 -1.94 -3.45 113.55 110.87 1o1i h SER 49 Ca -0.16 -0.36 -0.61 0.00 -0.47 0.00 0.00 61.79 60.20 1o1i h SER 49 Cb 1.67 -0.21 -0.14 0.00 -0.31 0.00 0.00 62.40 63.41 1o1i h SER 49 CO 0.07 0.95 -0.73 0.42 -0.87 0.00 0.00 176.83 176.67 1o1i s THR 50 N -4.82 2.49 0.27 2.95 -4.23 -1.26 -5.03 115.64 106.02 1o1i s THR 50 Ca -0.12 -2.33 0.01 0.00 -1.18 0.00 0.00 61.69 58.07 1o1i s THR 50 Cb 0.10 -2.42 0.26 0.00 1.34 0.00 0.00 72.50 71.78 1o1i s THR 50 CO 0.82 -0.35 1.77 -0.65 -0.54 0.00 0.00 174.62 175.66 1o1i h PRO 51 N 2.18 0.65 0.45 3.99 0.11 -1.98 -1.41 132.00 135.99 1o1i h PRO 51 Ca -0.41 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1o1i h PRO 51 Cb 1.26 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1o1i h PRO 51 CO 0.62 0.43 -0.42 -0.44 -0.21 0.00 0.00 178.00 177.98 1o1i h ASP 52 N 0.67 -1.14 -0.50 -2.05 3.32 -1.95 0.43 116.42 115.20 1o1i h ASP 52 Ca 0.49 0.09 0.10 0.00 0.02 0.00 0.00 57.03 57.73 1o1i h ASP 52 Cb 0.71 0.37 -0.10 0.00 0.22 0.00 0.00 39.33 40.53 1o1i h ASP 52 CO -0.37 -0.58 -0.22 0.00 -1.72 0.00 0.00 179.24 176.35 1o1i h ALA 53 N -0.56 0.15 -0.47 3.45 0.00 -1.77 0.78 119.26 120.84 1o1i h ALA 53 Ca -0.04 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1o1i h ALA 53 Cb 0.77 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1o1i h ALA 53 CO -0.05 -0.55 0.12 0.28 0.00 0.00 0.00 179.25 179.05 1o1i h VAL 54 N -0.11 1.23 0.00 0.00 2.07 -1.06 -0.84 116.25 117.55 1o1i h VAL 54 Ca 0.23 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1o1i h VAL 54 Cb 0.47 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1o1i h VAL 54 CO -0.57 0.29 0.00 0.23 0.02 0.00 0.00 177.57 177.54 1o1i n MET 55 N -4.50 0.91 -0.02 1.57 2.00 0.15 -2.83 117.12 114.40 1o1i n MET 55 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 57.70 57.73 1o1i n MET 55 Cb 0.21 -1.42 -0.09 0.00 0.00 0.00 0.00 33.22 31.92 1o1i n MET 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1o1i n GLY 56 N 0.75 -0.52 3.68 3.03 0.00 0.19 -5.01 105.19 107.31 1o1i n GLY 56 Ca 0.18 -0.24 -0.45 0.00 0.00 0.00 0.00 46.02 45.51 1o1i n GLY 56 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1o1i n ASN 57 N -2.05 3.42 0.15 1.61 2.85 -0.37 -4.90 115.26 115.97 1o1i n ASN 57 Ca -0.07 1.05 0.12 0.00 -0.11 0.00 0.00 54.58 55.57 1o1i n ASN 57 Cb 0.47 -1.46 0.07 0.00 1.24 0.00 0.00 39.78 40.10 1o1i n ASN 57 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1o1i h PRO 58 N 6.92 0.00 0.07 1.20 0.14 -1.91 -2.70 132.00 135.72 1o1i h PRO 58 Ca -0.45 0.00 -0.25 0.00 0.14 0.00 0.00 66.00 65.43 1o1i h PRO 58 Cb 1.24 0.00 0.01 0.00 0.14 0.00 0.00 31.00 32.39 1o1i h PRO 58 CO 0.92 0.00 -1.10 0.87 0.14 0.00 0.00 178.00 178.83 1o1i h LYS 59 N 0.00 0.38 -0.27 0.86 1.57 -1.90 -1.69 116.57 115.52 1o1i h LYS 59 Ca 0.00 -0.50 0.02 0.00 -1.87 0.00 0.00 60.65 58.30 1o1i h LYS 59 Cb 0.99 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 1o1i h LYS 59 CO 0.00 1.18 0.11 0.28 -0.57 0.00 0.00 179.45 180.46 1o1i h VAL 60 N 0.17 0.96 -0.62 0.50 2.07 -1.89 0.12 116.25 117.57 1o1i h VAL 60 Ca -0.12 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 67.27 1o1i h VAL 60 Cb 1.77 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 32.21 1o1i h VAL 60 CO 0.19 0.04 0.19 0.11 0.02 0.00 0.00 177.57 178.13 1o1i h LYS 61 N 0.25 0.96 -0.25 1.57 1.79 -1.51 -1.04 116.57 118.34 1o1i h LYS 61 Ca 0.11 -0.21 -0.19 0.00 -2.18 0.00 0.00 60.65 58.19 1o1i h LYS 61 Cb 0.06 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.57 1o1i h LYS 61 CO -0.10 0.85 -0.58 0.00 -1.08 0.00 0.00 179.45 178.54 1o1i h ALA 62 N 1.07 0.41 -0.37 3.86 0.00 -1.12 -3.01 119.26 120.09 1o1i h ALA 62 Ca 0.20 -0.53 -0.14 0.00 0.00 0.00 0.00 54.91 54.44 1o1i h ALA 62 Cb 0.29 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1o1i h ALA 62 CO -0.01 0.65 -0.32 1.25 0.00 0.00 0.00 179.25 180.83 1o1i h HIS 63 N 0.61 1.04 -0.22 0.00 -0.00 -0.67 -3.00 115.15 112.90 1o1i h HIS 63 Ca -0.00 -0.30 0.06 0.00 -0.00 0.00 0.00 60.37 60.13 1o1i h HIS 63 Cb 1.20 -0.22 -0.07 0.00 -0.00 0.00 0.00 27.41 28.31 1o1i h HIS 63 CO 0.08 1.10 -0.33 0.78 -0.00 0.00 0.00 177.93 179.56 1o1i h GLY 64 N 0.68 -0.41 -0.29 5.26 0.00 -1.19 -1.20 103.07 105.92 1o1i h GLY 64 Ca 0.07 0.41 0.13 0.00 0.00 0.00 0.00 47.33 47.94 1o1i h GLY 64 CO 0.08 -0.21 -0.17 1.70 0.00 0.00 0.00 176.54 177.94 1o1i h LYS 65 N -0.36 -0.01 -0.70 4.80 3.64 -1.49 -0.05 116.57 122.40 1o1i h LYS 65 Ca 0.12 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.55 1o1i h LYS 65 Cb 0.55 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.32 1o1i h LYS 65 CO -0.42 -0.01 0.42 -0.22 -2.27 0.00 0.00 179.45 176.95 1o1i h LYS 66 N -0.01 0.77 -0.01 1.90 1.63 -1.13 -1.33 116.57 118.39 1o1i h LYS 66 Ca 0.31 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 60.06 1o1i h LYS 66 Cb 0.48 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1o1i h LYS 66 CO -0.66 0.51 0.01 0.28 -3.45 0.00 0.00 179.45 176.13 1o1i h VAL 67 N 0.79 1.07 -0.17 2.00 2.07 0.08 -1.86 116.25 120.24 1o1i h VAL 67 Ca 0.30 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 1o1i h VAL 67 Cb 0.11 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1o1i h VAL 67 CO -0.15 0.05 -0.05 -0.07 0.02 0.00 0.00 177.57 177.37 1o1i h LEU 68 N -0.07 0.23 0.35 2.57 3.38 -1.14 -0.50 115.31 120.13 1o1i h LEU 68 Ca 0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1o1i h LEU 68 Cb 0.08 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1o1i h LEU 68 CO -0.00 0.32 -0.32 1.23 0.09 0.00 0.00 178.44 179.76 1o1i h GLY 69 N 0.61 -0.75 -0.06 0.83 0.00 -0.95 0.21 103.07 102.95 1o1i h GLY 69 Ca 0.05 0.37 0.16 0.00 0.00 0.00 0.00 47.33 47.91 1o1i h GLY 69 CO 0.01 -0.28 0.17 0.00 0.00 0.00 0.00 176.54 176.44 1o1i h ALA 70 N -0.17 0.93 -0.85 3.60 0.00 -0.38 0.10 119.26 122.49 1o1i h ALA 70 Ca -0.02 0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1o1i h ALA 70 Cb 0.61 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 1o1i h ALA 70 CO -0.04 -0.34 0.56 0.35 0.00 0.00 0.00 179.25 179.78 1o1i h PHE 71 N 0.27 1.05 -0.32 0.00 3.57 -0.87 -2.36 116.94 118.28 1o1i h PHE 71 Ca 0.41 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.90 1o1i h PHE 71 Cb 0.69 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 1o1i h PHE 71 CO -0.26 0.64 0.05 0.77 -2.23 0.00 0.00 178.31 177.27 1o1i h SER 72 N 1.11 0.43 -0.84 0.41 0.02 0.20 -1.51 113.55 113.36 1o1i h SER 72 Ca 0.33 -0.06 0.09 0.00 -0.84 0.00 0.00 61.79 61.30 1o1i h SER 72 Cb -0.07 -0.11 -0.07 0.00 0.14 0.00 0.00 62.40 62.29 1o1i h SER 72 CO -0.09 0.46 0.50 0.44 -1.14 0.00 0.00 176.83 176.99 1o1i h ASP 73 N 0.46 0.74 -0.47 3.07 3.32 -0.78 -2.43 116.42 120.32 1o1i h ASP 73 Ca 0.11 0.04 -0.11 0.00 0.02 0.00 0.00 57.03 57.09 1o1i h ASP 73 Cb 0.22 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1o1i h ASP 73 CO 0.00 0.44 -0.12 1.23 -1.72 0.00 0.00 179.24 179.07 1o1i h GLY 74 N 0.86 0.99 2.00 2.75 0.00 -1.12 -2.85 103.07 105.69 1o1i h GLY 74 Ca 0.40 -0.82 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1o1i h GLY 74 CO -0.23 0.75 -0.06 1.41 0.00 0.00 0.00 176.54 178.41 1o1i h LEU 75 N 0.76 0.00 -0.36 3.11 4.07 -1.05 0.21 115.31 122.04 1o1i h LEU 75 Ca 0.12 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.08 1o1i h LEU 75 Cb 0.67 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.41 1o1i h LEU 75 CO 0.05 0.06 -0.17 0.00 -1.08 0.00 0.00 178.44 177.30 1o1i n ALA 76 N -2.34 2.89 -2.75 1.53 0.00 -0.95 -4.13 120.51 114.75 1o1i n ALA 76 Ca -0.03 -0.33 -0.04 0.00 0.00 0.00 0.00 53.44 53.05 1o1i n ALA 76 Cb 0.15 -1.25 0.05 0.00 0.00 0.00 0.00 19.45 18.41 1o1i n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1o1i n HIS 77 N -0.80 0.81 0.23 0.00 8.25 0.61 -4.95 115.22 119.37 1o1i n HIS 77 Ca 0.14 -2.36 0.12 0.00 -0.26 0.00 0.00 57.72 55.35 1o1i n HIS 77 Cb 0.31 -0.08 0.63 0.00 1.12 0.00 0.00 29.99 31.97 1o1i n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1o1i h LEU 78 N 2.63 0.00 0.00 2.41 3.38 -1.40 0.29 115.31 122.63 1o1i h LEU 78 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1o1i h LEU 78 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1o1i h LEU 78 CO 0.27 0.00 -1.17 0.47 0.09 0.00 0.00 178.44 178.10 1o1i n ASP 79 N -2.44 0.58 -2.85 -0.43 8.00 -1.26 -4.41 116.55 113.73 1o1i n ASP 79 Ca -0.02 -0.25 -0.23 0.00 0.71 0.00 0.00 54.79 55.01 1o1i n ASP 79 Cb 0.25 0.98 -0.02 0.00 -0.02 0.00 0.00 41.12 42.31 1o1i n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1o1i n ASN 80 N -1.98 3.34 0.09 -2.24 5.15 0.10 -4.91 115.26 114.81 1o1i n ASN 80 Ca 0.01 -3.42 -0.13 0.00 -0.60 0.00 0.00 54.58 50.44 1o1i n ASN 80 Cb 0.45 -0.55 -0.08 0.00 -0.53 0.00 0.00 39.78 39.08 1o1i n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1o1i h LEU 81 N 2.89 -0.13 -0.21 1.20 4.07 -1.74 -1.38 115.31 120.01 1o1i h LEU 81 Ca 0.13 -0.07 0.03 0.00 0.08 0.00 0.00 57.88 58.05 1o1i h LEU 81 Cb 0.79 0.03 -0.03 0.00 1.08 0.00 0.00 40.66 42.54 1o1i h LEU 81 CO 0.71 -0.01 0.02 0.11 -1.08 0.00 0.00 178.44 178.20 1o1i h LYS 82 N -0.24 0.10 -0.38 1.13 1.57 -1.91 -0.38 116.57 116.45 1o1i h LYS 82 Ca -0.02 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 1o1i h LYS 82 Cb 0.20 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1o1i h LYS 82 CO 0.03 0.06 -0.11 0.78 -0.57 0.00 0.00 179.45 179.64 1o1i h GLY 83 N 0.10 0.73 1.15 3.86 0.00 -1.94 -1.79 103.07 105.17 1o1i h GLY 83 Ca 0.10 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1o1i h GLY 83 CO -0.14 0.49 0.48 -0.84 0.00 0.00 0.00 176.54 176.53 1o1i h THR 84 N 0.61 1.23 -0.37 4.70 2.02 -0.68 -3.25 112.91 117.17 1o1i h THR 84 Ca 0.11 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.76 1o1i h THR 84 Cb 0.55 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1o1i h THR 84 CO 0.03 0.25 0.00 0.49 0.37 0.00 0.00 175.52 176.66 1o1i n PHE 85 N -4.37 1.12 0.08 3.16 3.01 -0.20 -4.71 117.46 115.55 1o1i n PHE 85 Ca 0.09 -0.76 -0.13 0.00 1.01 0.00 0.00 57.45 57.65 1o1i n PHE 85 Cb 0.07 -0.30 -0.08 0.00 -0.01 0.00 0.00 39.48 39.16 1o1i n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1o1i h ALA 86 N 2.46 -0.17 -0.15 4.37 0.00 -1.38 -0.48 119.26 123.91 1o1i h ALA 86 Ca 0.00 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1o1i h ALA 86 Cb 1.43 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.22 1o1i h ALA 86 CO 0.24 -0.48 -0.27 1.15 0.00 0.00 0.00 179.25 179.88 1o1i h THR 87 N -0.39 0.37 -0.13 0.00 2.02 -1.85 -1.59 112.91 111.34 1o1i h THR 87 Ca -0.02 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.17 1o1i h THR 87 Cb 0.31 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 1o1i h THR 87 CO 0.03 0.00 0.09 -0.07 0.37 0.00 0.00 175.52 175.94 1o1i h LEU 88 N -0.33 0.14 0.01 2.58 3.38 -1.86 -0.33 115.31 118.90 1o1i h LEU 88 Ca 0.11 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1o1i h LEU 88 Cb 0.49 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1o1i h LEU 88 CO -0.34 0.10 -0.00 -1.28 0.09 0.00 0.00 178.44 177.01 1o1i h SER 89 N 0.16 -0.01 -0.60 -0.43 0.87 -0.34 -1.32 113.55 111.89 1o1i h SER 89 Ca 0.05 -0.26 0.08 0.00 -1.23 0.00 0.00 61.79 60.43 1o1i h SER 89 Cb 0.01 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.91 1o1i h SER 89 CO -0.01 0.25 0.27 -0.08 -0.53 0.00 0.00 176.83 176.73 1o1i h GLU 90 N -0.27 0.47 -0.56 2.24 4.81 -0.37 -0.96 114.58 119.94 1o1i h GLU 90 Ca -0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1o1i h GLU 90 Cb 0.27 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 1o1i h GLU 90 CO 0.00 0.31 0.35 1.25 -0.73 0.00 0.00 179.01 180.19 1o1i h LEU 91 N 0.49 0.66 -0.23 1.64 5.85 -1.01 0.96 115.31 123.66 1o1i h LEU 91 Ca 0.29 -0.04 -0.14 0.00 0.84 0.00 0.00 57.88 58.83 1o1i h LEU 91 Cb 0.28 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1o1i h LEU 91 CO -0.24 0.51 -0.66 0.45 -0.34 0.00 0.00 178.44 178.15 1o1i h HIS 92 N 0.75 0.00 0.00 1.25 3.86 -0.63 -1.43 115.15 118.95 1o1i h HIS 92 Ca 0.20 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.34 1o1i h HIS 92 Cb -0.04 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 1o1i h HIS 92 CO -0.03 0.66 -0.40 0.00 0.86 0.00 0.00 177.93 179.02 1o1i n ASP 94 N -4.56 0.80 -0.14 0.00 8.00 0.32 -3.06 116.55 117.91 1o1i n ASP 94 Ca -0.16 0.36 -0.28 0.00 0.71 0.00 0.00 54.79 55.42 1o1i n ASP 94 Cb 0.51 0.23 -0.10 0.00 -0.02 0.00 0.00 41.12 41.74 1o1i n ASP 94 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1o1i n LYS 95 N -2.88 0.60 0.06 -1.24 5.02 -0.60 -4.70 118.16 114.43 1o1i n LYS 95 Ca -0.11 0.26 0.11 0.00 -2.02 0.00 0.00 58.31 56.55 1o1i n LYS 95 Cb 0.86 -1.51 -0.03 0.00 -0.02 0.00 0.00 35.03 34.33 1o1i n LYS 95 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1o1i n LEU 96 N -4.10 0.60 -3.63 -0.35 4.77 -0.84 -4.97 117.00 108.47 1o1i n LEU 96 Ca -0.52 0.19 -0.24 0.00 -0.03 0.00 0.00 56.01 55.41 1o1i n LEU 96 Cb 0.90 -0.06 0.07 0.00 -2.33 0.00 0.00 43.42 42.00 1o1i n LEU 96 CO 0.08 -0.10 0.19 1.41 -1.33 0.00 0.00 177.39 177.64 1o1i n HIS 97 N -2.44 -2.66 -2.70 -1.77 8.25 -0.18 -4.95 115.22 108.78 1o1i n HIS 97 Ca -0.01 0.98 -0.42 0.00 -0.26 0.00 0.00 57.72 58.02 1o1i n HIS 97 Cb 0.53 -4.85 -0.04 0.00 1.12 0.00 0.00 29.99 26.76 1o1i n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1o1i s VAL 98 N -3.34 4.62 0.12 1.59 1.01 -0.07 -5.01 120.40 119.32 1o1i s VAL 98 Ca 0.49 2.02 -0.31 0.00 0.00 0.00 0.00 61.98 64.18 1o1i s VAL 98 Cb -0.22 -4.29 -0.08 0.00 0.00 0.00 0.00 36.38 31.79 1o1i s VAL 98 CO 0.75 0.23 1.36 -0.62 0.00 0.00 0.00 175.10 176.83 1o1i s ASP 99 N 0.50 6.86 0.61 3.32 2.15 -1.26 -4.73 116.67 124.12 1o1i s ASP 99 Ca 0.50 2.31 0.31 0.00 0.43 0.00 0.00 52.55 56.10 1o1i s ASP 99 Cb -0.23 -2.59 1.77 0.00 -0.30 0.00 0.00 42.92 41.57 1o1i s ASP 99 CO 0.29 -0.62 2.12 -0.65 -0.17 0.00 0.00 175.17 176.15 1o1i h PRO 100 N 6.62 0.00 -0.71 4.34 0.11 -1.97 0.19 132.00 140.58 1o1i h PRO 100 Ca -0.42 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.82 1o1i h PRO 100 Cb 1.21 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 1o1i h PRO 100 CO 0.85 0.00 0.48 1.49 -0.21 0.00 0.00 178.00 180.60 1o1i h GLU 101 N 0.00 0.42 0.00 1.05 4.57 -1.98 -0.61 114.58 118.03 1o1i h GLU 101 Ca 0.06 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1o1i h GLU 101 Cb 0.42 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 1o1i h GLU 101 CO -0.00 0.28 0.00 -0.91 -1.18 0.00 0.00 179.01 177.20 1o1i h ASN 102 N 0.43 0.00 -0.19 1.04 4.21 -1.33 -2.15 115.58 117.59 1o1i h ASN 102 Ca 0.34 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.80 1o1i h ASN 102 Cb 0.74 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.92 1o1i h ASN 102 CO -0.11 0.00 -0.04 -0.26 -1.29 0.00 0.00 177.43 175.73 1o1i h PHE 103 N 0.00 0.52 -0.19 1.19 0.04 -1.26 -1.53 116.94 115.71 1o1i h PHE 103 Ca 0.00 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.69 1o1i h PHE 103 Cb 0.42 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 1o1i h PHE 103 CO 0.00 0.54 0.04 0.00 -0.60 0.00 0.00 178.31 178.29 1o1i h ARG 104 N 0.48 0.31 -0.82 1.51 3.08 -1.49 -2.33 114.38 115.12 1o1i h ARG 104 Ca 0.10 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1o1i h ARG 104 Cb 0.37 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 1o1i h ARG 104 CO 0.02 0.45 0.48 -0.07 -1.07 0.00 0.00 179.97 179.77 1o1i h LEU 105 N 0.12 0.99 -0.71 3.04 3.38 -1.42 -2.07 115.31 118.63 1o1i h LEU 105 Ca 0.06 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1o1i h LEU 105 Cb 0.28 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1o1i h LEU 105 CO 0.00 0.77 0.44 -0.25 0.09 0.00 0.00 178.44 179.49 1o1i h TRP 106 N 1.13 0.93 -0.36 1.13 7.01 -1.14 -1.94 115.95 122.70 1o1i h TRP 106 Ca 0.29 0.00 -0.07 0.00 2.11 0.00 0.00 58.89 61.23 1o1i h TRP 106 Cb -0.03 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 26.71 1o1i h TRP 106 CO 0.01 0.61 -0.06 0.78 -2.79 0.00 0.00 178.44 176.99 1o1i h GLY 107 N 0.97 0.65 1.19 2.65 0.00 -0.82 -2.02 103.07 105.68 1o1i h GLY 107 Ca 0.26 -0.43 -0.11 0.00 0.00 0.00 0.00 47.33 47.05 1o1i h GLY 107 CO -0.05 0.40 -0.13 3.43 0.00 0.00 0.00 176.54 180.19 1o1i h ASN 108 N 0.56 0.95 -0.19 0.19 -0.26 -1.09 -2.50 115.58 113.24 1o1i h ASN 108 Ca 0.11 -0.31 -0.10 0.00 -0.56 0.00 0.00 56.30 55.44 1o1i h ASN 108 Cb 0.44 -0.26 -0.00 0.00 -1.06 0.00 0.00 38.32 37.44 1o1i h ASN 108 CO 0.02 1.08 -0.27 -0.37 -1.06 0.00 0.00 177.43 176.83 1o1i h VAL 109 N 0.84 1.34 -0.95 2.81 -1.51 -0.87 -1.83 116.25 116.08 1o1i h VAL 109 Ca 0.13 -1.47 0.17 0.00 -1.23 0.00 0.00 66.70 64.29 1o1i h VAL 109 Cb 0.67 1.83 -0.10 0.00 -2.13 0.00 0.00 31.29 31.57 1o1i h VAL 109 CO 0.05 0.45 0.56 0.25 -1.23 0.00 0.00 177.57 177.64 1o1i h LEU 110 N 0.18 0.72 -0.46 4.19 5.85 -1.41 0.25 115.31 124.63 1o1i h LEU 110 Ca 0.02 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 1o1i h LEU 110 Cb 0.84 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 1o1i h LEU 110 CO 0.06 0.29 0.04 0.58 -0.34 0.00 0.00 178.44 179.07 1o1i h VAL 111 N 0.75 1.26 -0.62 1.05 2.07 -1.23 0.36 116.25 119.88 1o1i h VAL 111 Ca 0.53 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 1o1i h VAL 111 Cb 0.76 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 1o1i h VAL 111 CO -0.36 0.34 0.37 0.00 0.02 0.00 0.00 177.57 177.95 1o1i h VAL 113 N 0.86 1.28 -0.29 0.00 2.07 -0.40 -0.88 116.25 118.89 1o1i h VAL 113 Ca 0.22 -1.33 -0.07 0.00 0.82 0.00 0.00 66.70 66.34 1o1i h VAL 113 Cb -0.03 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1o1i h VAL 113 CO -0.04 0.44 -0.12 -0.07 0.02 0.00 0.00 177.57 177.80 1o1i h LEU 114 N 0.56 0.47 -0.17 2.57 3.38 -0.83 -1.11 115.31 120.20 1o1i h LEU 114 Ca 0.08 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1o1i h LEU 114 Cb 0.75 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1o1i h LEU 114 CO 0.06 0.63 -0.02 0.00 0.09 0.00 0.00 178.44 179.20 1o1i h ALA 115 N 1.42 0.23 -0.50 1.53 0.00 -1.09 -0.90 119.26 119.95 1o1i h ALA 115 Ca 0.09 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1o1i h ALA 115 Cb 0.48 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1o1i h ALA 115 CO 0.03 -0.04 0.28 1.25 0.00 0.00 0.00 179.25 180.76 1o1i h HIS 116 N 0.03 0.51 -0.04 0.00 -0.00 -0.99 0.35 115.15 115.02 1o1i h HIS 116 Ca 0.04 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.42 1o1i h HIS 116 Cb 0.42 -0.16 -0.00 0.00 -0.00 0.00 0.00 27.41 27.67 1o1i h HIS 116 CO 0.04 0.27 -0.04 1.25 -0.00 0.00 0.00 177.93 179.45 1o1i h HIS 117 N 0.55 0.12 0.00 5.26 6.17 -1.16 -3.30 115.15 122.77 1o1i h HIS 117 Ca 0.21 -0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.26 1o1i h HIS 117 Cb 0.08 -0.02 0.00 0.00 2.52 0.00 0.00 27.41 29.98 1o1i h HIS 117 CO -0.08 0.58 -0.57 1.19 0.71 0.00 0.00 177.93 179.75 1o1i n PHE 118 N -4.77 0.01 -0.04 5.26 3.01 -0.35 -5.02 117.46 115.58 1o1i n PHE 118 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.38 1o1i n PHE 118 Cb 0.29 -0.23 0.00 0.00 -0.01 0.00 0.00 39.48 39.53 1o1i n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1o1i n GLY 119 N 1.50 3.04 0.16 1.37 0.00 0.11 -1.66 105.19 109.70 1o1i n GLY 119 Ca 0.05 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.13 1o1i n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1o1i n LYS 120 N 14.00 0.12 0.19 1.61 5.02 -1.26 -0.66 118.16 137.18 1o1i n LYS 120 Ca 0.00 0.62 0.08 0.00 -2.02 0.00 0.00 58.31 56.98 1o1i n LYS 120 Cb 0.00 -1.97 0.23 0.00 -0.02 0.00 0.00 35.03 33.28 1o1i n LYS 120 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1o1i h GLU 121 N 0.00 0.00 -4.12 1.97 5.08 -1.69 -3.35 114.58 112.46 1o1i h GLU 121 Ca 0.00 0.00 -0.71 0.00 -1.00 0.00 0.00 59.36 57.65 1o1i h GLU 121 Cb 0.12 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 1o1i h GLU 121 CO 0.00 0.28 3.06 0.34 -1.00 0.00 0.00 179.01 181.68 1o1i n PHE 122 N -3.25 3.55 -1.56 4.33 7.35 0.17 -4.93 117.46 123.12 1o1i n PHE 122 Ca 0.02 -2.93 -0.33 0.00 -0.76 0.00 0.00 57.45 53.45 1o1i n PHE 122 Cb 0.57 -2.54 0.07 0.00 0.35 0.00 0.00 39.48 37.93 1o1i n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1o1i s THR 123 N 3.33 2.99 0.30 -2.13 -4.23 -1.26 -4.74 115.64 109.90 1o1i s THR 123 Ca 0.48 0.44 0.04 0.00 -1.18 0.00 0.00 61.69 61.47 1o1i s THR 123 Cb 0.13 -2.94 0.31 0.00 1.34 0.00 0.00 72.50 71.35 1o1i s THR 123 CO -0.07 -0.31 1.65 -0.65 -0.54 0.00 0.00 174.62 174.70 1o1i h PRO 124 N -0.30 0.23 0.00 3.99 0.11 -1.94 0.15 132.00 134.24 1o1i h PRO 124 Ca -0.46 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.54 1o1i h PRO 124 Cb 1.26 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1o1i h PRO 124 CO 0.52 0.15 -0.46 -1.35 -0.21 0.00 0.00 178.00 176.65 1o1i h PRO 125 N 0.24 0.00 -0.18 1.05 0.11 -1.99 -1.40 132.00 129.83 1o1i h PRO 125 Ca 0.58 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.53 1o1i h PRO 125 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1o1i h PRO 125 CO -0.64 0.46 -0.59 0.28 -0.21 0.00 0.00 178.00 177.30 1o1i h VAL 126 N 0.00 1.32 -0.51 3.15 2.07 -1.16 -2.76 116.25 118.36 1o1i h VAL 126 Ca -0.00 -1.85 -0.12 0.00 0.82 0.00 0.00 66.70 65.55 1o1i h VAL 126 Cb 0.92 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.50 1o1i h VAL 126 CO 0.06 0.57 -0.15 -0.61 0.02 0.00 0.00 177.57 177.46 1o1i h GLN 127 N 0.43 1.00 -0.53 1.57 4.15 -0.78 -2.21 115.11 118.73 1o1i h GLN 127 Ca -0.00 -0.39 0.07 0.00 0.77 0.00 0.00 58.65 59.09 1o1i h GLN 127 Cb 1.14 -0.05 -0.06 0.00 0.21 0.00 0.00 27.48 28.72 1o1i h GLN 127 CO 0.11 1.07 0.22 0.00 -1.93 0.00 0.00 178.83 178.30 1o1i h ALA 128 N 0.93 0.67 -0.13 3.38 0.00 -1.19 0.41 119.26 123.33 1o1i h ALA 128 Ca 0.13 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 1o1i h ALA 128 Cb 0.72 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1o1i h ALA 128 CO 0.06 -0.17 -0.55 0.00 0.00 0.00 0.00 179.25 178.59 1o1i h ALA 129 N 1.34 0.80 -0.02 0.00 0.00 -1.30 -2.78 119.26 117.29 1o1i h ALA 129 Ca 0.25 -0.51 -0.14 0.00 0.00 0.00 0.00 54.91 54.51 1o1i h ALA 129 Cb 0.25 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1o1i h ALA 129 CO -0.23 0.69 -0.61 1.88 0.00 0.00 0.00 179.25 180.98 1o1i h TYR 130 N 0.31 0.11 -0.79 0.00 0.05 -0.83 -2.46 116.97 113.35 1o1i h TYR 130 Ca 0.00 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.74 1o1i h TYR 130 Cb 1.07 -0.02 -0.04 0.00 1.01 0.00 0.00 36.73 38.75 1o1i h TYR 130 CO 0.03 0.67 0.47 1.96 -1.05 0.00 0.00 178.16 180.25 1o1i h GLN 131 N 0.06 1.08 -0.29 4.88 1.08 0.07 -1.41 115.11 120.57 1o1i h GLN 131 Ca -0.01 -0.10 -0.03 0.00 -1.45 0.00 0.00 58.65 57.07 1o1i h GLN 131 Cb 1.10 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 28.29 1o1i h GLN 131 CO 0.08 0.77 0.08 0.87 -0.95 0.00 0.00 178.83 179.68 1o1i h LYS 132 N 1.09 0.46 -0.73 1.46 1.57 -1.36 -1.40 116.57 117.66 1o1i h LYS 132 Ca 0.28 -0.11 0.07 0.00 -1.87 0.00 0.00 60.65 59.03 1o1i h LYS 132 Cb -0.03 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.15 1o1i h LYS 132 CO -0.05 0.53 0.41 0.28 -0.57 0.00 0.00 179.45 180.05 1o1i h VAL 133 N 0.31 0.95 -0.48 0.50 2.07 -1.20 -0.21 116.25 118.19 1o1i h VAL 133 Ca 0.09 -0.25 -0.13 0.00 0.82 0.00 0.00 66.70 67.23 1o1i h VAL 133 Cb 0.27 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1o1i h VAL 133 CO -0.00 0.13 -0.21 0.58 0.02 0.00 0.00 177.57 178.09 1o1i h VAL 134 N 0.73 1.27 -0.54 2.57 2.07 -1.08 -1.24 116.25 120.04 1o1i h VAL 134 Ca 0.34 -1.37 -0.11 0.00 0.82 0.00 0.00 66.70 66.38 1o1i h VAL 134 Cb 0.24 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1o1i h VAL 134 CO -0.21 0.47 -0.10 0.00 0.02 0.00 0.00 177.57 177.76 1o1i h ALA 135 N 0.91 0.81 -0.59 1.67 0.00 -0.86 -1.06 119.26 120.14 1o1i h ALA 135 Ca 0.11 -0.34 0.08 0.00 0.00 0.00 0.00 54.91 54.75 1o1i h ALA 135 Cb 0.78 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 1o1i h ALA 135 CO 0.06 0.66 0.26 0.78 0.00 0.00 0.00 179.25 181.01 1o1i h GLY 136 N 0.95 0.83 0.97 0.00 0.00 -0.50 -0.92 103.07 104.40 1o1i h GLY 136 Ca 0.14 -0.15 -0.11 0.00 0.00 0.00 0.00 47.33 47.21 1o1i h GLY 136 CO 0.05 0.04 -0.25 -2.08 0.00 0.00 0.00 176.54 174.30 1o1i h VAL 137 N 0.47 1.30 -0.93 4.60 2.07 -1.06 -0.92 116.25 121.79 1o1i h VAL 137 Ca 0.28 -1.40 0.09 0.00 0.82 0.00 0.00 66.70 66.49 1o1i h VAL 137 Cb 0.29 1.51 -0.07 0.00 -1.52 0.00 0.00 31.29 31.50 1o1i h VAL 137 CO -0.25 0.45 0.60 0.00 0.02 0.00 0.00 177.57 178.39 1o1i h ALA 138 N 0.73 1.56 -0.06 1.67 0.00 -0.90 -2.42 119.26 119.84 1o1i h ALA 138 Ca 0.06 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.74 1o1i h ALA 138 Cb 0.81 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1o1i h ALA 138 CO 0.06 0.26 -0.81 -0.91 0.00 0.00 0.00 179.25 177.85 1o1i h ASN 139 N 0.97 0.82 -0.52 0.00 2.35 -0.67 -2.41 115.58 116.11 1o1i h ASN 139 Ca 0.42 -0.70 -0.01 0.00 -0.55 0.00 0.00 56.30 55.47 1o1i h ASN 139 Cb 0.35 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 1o1i h ASN 139 CO -0.18 1.40 0.30 0.00 -1.65 0.00 0.00 177.43 177.29 1o1i h ALA 140 N 0.44 1.49 0.00 -0.83 0.00 -1.06 -1.25 119.26 118.06 1o1i h ALA 140 Ca -0.08 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1o1i h ALA 140 Cb 1.47 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1o1i h ALA 140 CO 0.16 0.42 -0.45 -0.07 0.00 0.00 0.00 179.25 179.32 1o1i h LEU 141 N 0.76 0.00 0.00 0.00 3.38 -1.36 -2.81 115.31 115.28 1o1i h LEU 141 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1o1i h LEU 141 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1o1i h LEU 141 CO -0.03 0.45 -0.53 0.00 0.09 0.00 0.00 178.44 178.42 1o1i n ALA 142 N -2.25 3.43 -0.12 1.53 0.00 -0.92 -4.38 120.51 117.81 1o1i n ALA 142 Ca 0.01 -0.33 -0.05 0.00 0.00 0.00 0.00 53.44 53.07 1o1i n ALA 142 Cb 0.64 -1.13 0.01 0.00 0.00 0.00 0.00 19.45 18.97 1o1i n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1o1i h HIS 143 N 0.00 -0.22 -0.21 0.00 6.17 -0.96 -0.42 115.15 119.51 1o1i h HIS 143 Ca 0.00 0.04 -0.07 0.00 0.71 0.00 0.00 60.37 61.04 1o1i h HIS 143 Cb 0.54 0.16 -0.04 0.00 2.52 0.00 0.00 27.41 30.59 1o1i h HIS 143 CO 0.00 -0.18 0.09 1.63 0.71 0.00 0.00 177.93 180.19 1o1i n LYS 144 N -5.31 1.66 -0.02 5.26 4.76 -1.26 -2.63 118.16 120.62 1o1i n LYS 144 Ca 0.02 -0.82 0.08 0.00 -2.87 0.00 0.00 58.31 54.72 1o1i n LYS 144 Cb 0.22 -1.49 -0.16 0.00 -1.84 0.00 0.00 35.03 31.75 1o1i n LYS 144 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1o1i n TYR 145 N 0.11 0.04 1.73 2.13 4.01 -0.16 -4.76 117.16 120.25 1o1i n TYR 145 Ca 0.12 0.01 0.15 0.00 -0.16 0.00 0.00 57.90 58.02 1o1i n TYR 145 Cb 0.67 -0.60 0.72 0.00 -0.31 0.00 0.00 39.34 39.82 1o1i n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12