#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s20 s VAL 3 N 0.00 0.69 0.54 -0.18 -7.23 -0.39 -4.98 120.40 108.84 1s20 s VAL 3 Ca 0.00 -1.47 -0.08 0.00 -1.81 0.00 0.00 61.98 58.62 1s20 s VAL 3 Cb 0.00 -1.12 -0.04 0.00 0.56 0.00 0.00 36.38 35.79 1s20 s VAL 3 CO 0.00 -0.57 0.89 -0.89 -0.31 0.00 0.00 175.10 174.23 1s20 s THR 4 N -2.30 4.82 0.15 5.32 2.01 -1.26 -2.04 115.64 122.33 1s20 s THR 4 Ca 0.00 0.51 -0.22 0.00 0.31 0.00 0.00 61.69 62.30 1s20 s THR 4 Cb -0.04 -3.86 0.03 0.00 0.01 0.00 0.00 72.50 68.63 1s20 s THR 4 CO -0.01 -0.97 1.64 0.15 -0.69 0.00 0.00 174.62 174.74 1s20 h PHE 5 N 0.01 -0.51 -0.54 4.92 3.57 -1.96 0.08 116.94 122.51 1s20 h PHE 5 Ca -0.46 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.06 1s20 h PHE 5 Cb 1.20 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 40.17 1s20 h PHE 5 CO 0.62 -0.27 0.27 0.93 -2.23 0.00 0.00 178.31 177.62 1s20 h GLU 6 N -0.20 0.77 -0.41 1.11 4.39 -1.99 -0.38 114.58 117.87 1s20 h GLU 6 Ca 0.13 -0.11 0.02 0.00 0.34 0.00 0.00 59.36 59.75 1s20 h GLU 6 Cb 0.40 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 1s20 h GLU 6 CO -0.35 0.62 0.27 0.37 -1.16 0.00 0.00 179.01 178.76 1s20 h GLN 7 N 0.72 0.47 0.20 2.33 4.15 -1.82 0.17 115.11 121.32 1s20 h GLN 7 Ca 0.19 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 1s20 h GLN 7 Cb 0.10 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1s20 h GLN 7 CO -0.02 0.31 -0.10 1.25 -1.93 0.00 0.00 178.83 178.34 1s20 h LEU 8 N 0.48 -0.23 -1.27 -2.39 6.46 -0.18 -2.93 115.31 115.27 1s20 h LEU 8 Ca 0.16 -0.30 0.08 0.00 -0.12 0.00 0.00 57.88 57.70 1s20 h LEU 8 Cb 0.04 0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 39.97 1s20 h LEU 8 CO -0.04 0.30 0.54 0.50 -0.62 0.00 0.00 178.44 179.12 1s20 h LYS 9 N -0.88 0.82 -0.37 1.25 3.64 -0.83 -1.27 116.57 118.94 1s20 h LYS 9 Ca -0.03 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.35 1s20 h LYS 9 Cb 0.51 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 1s20 h LYS 9 CO 0.04 0.54 0.10 0.00 -2.27 0.00 0.00 179.45 177.87 1s20 h ALA 10 N 1.57 0.41 0.16 5.00 0.00 -0.70 0.44 119.26 126.14 1s20 h ALA 10 Ca 0.37 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1s20 h ALA 10 Cb 0.34 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1s20 h ALA 10 CO -0.14 -0.30 -0.16 0.00 0.00 0.00 0.00 179.25 178.65 1s20 h ALA 11 N 1.25 -0.33 -0.55 0.00 0.00 -1.05 0.20 119.26 118.79 1s20 h ALA 11 Ca 0.17 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.12 1s20 h ALA 11 Cb 0.17 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 1s20 h ALA 11 CO -0.20 -0.71 0.19 0.74 0.00 0.00 0.00 179.25 179.28 1s20 h PHE 12 N -0.36 0.33 -0.02 0.00 0.05 -1.11 -1.79 116.94 114.05 1s20 h PHE 12 Ca 0.00 0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.82 1s20 h PHE 12 Cb 0.34 -0.07 -0.00 0.00 2.00 0.00 0.00 35.95 38.22 1s20 h PHE 12 CO -0.14 0.09 0.00 -0.97 -0.18 0.00 0.00 178.31 177.11 1s20 h ASN 13 N 0.37 0.03 -0.72 2.17 -1.24 -0.64 -0.71 115.58 114.84 1s20 h ASN 13 Ca 0.27 -0.24 0.15 0.00 0.71 0.00 0.00 56.30 57.19 1s20 h ASN 13 Cb 0.32 -0.01 -0.05 0.00 0.73 0.00 0.00 38.32 39.32 1s20 h ASN 13 CO -0.28 0.25 0.48 0.03 -1.29 0.00 0.00 177.43 176.62 1s20 h ARG 14 N -0.20 0.36 0.19 6.67 3.08 -0.27 -1.51 114.38 122.69 1s20 h ARG 14 Ca 0.01 -0.02 -0.28 0.00 0.07 0.00 0.00 59.98 59.75 1s20 h ARG 14 Cb 0.24 -0.08 0.03 0.00 0.08 0.00 0.00 29.97 30.24 1s20 h ARG 14 CO 0.00 0.24 -1.21 0.28 -1.07 0.00 0.00 179.97 178.21 1s20 h VAL 15 N 0.37 1.36 0.58 2.04 2.07 -1.12 -3.08 116.25 118.47 1s20 h VAL 15 Ca 0.35 -2.59 -0.02 0.00 0.82 0.00 0.00 66.70 65.26 1s20 h VAL 15 Cb 0.85 3.03 -0.00 0.00 -1.52 0.00 0.00 31.29 33.64 1s20 h VAL 15 CO -0.10 0.76 -0.33 -0.07 0.02 0.00 0.00 177.57 177.86 1s20 h LEU 16 N -0.00 -0.80 -1.36 2.57 3.38 -0.29 -1.95 115.31 116.85 1s20 h LEU 16 Ca -0.21 0.04 0.05 0.00 0.09 0.00 0.00 57.88 57.86 1s20 h LEU 16 Cb 1.94 0.23 -0.04 0.00 0.09 0.00 0.00 40.66 42.87 1s20 h LEU 16 CO 0.23 -0.53 0.48 0.16 0.09 0.00 0.00 178.44 178.87 1s20 h ILE 17 N -0.85 1.06 0.00 1.22 3.07 -1.40 0.77 117.51 121.37 1s20 h ILE 17 Ca -0.07 -0.28 0.00 0.00 1.55 0.00 0.00 64.86 66.06 1s20 h ILE 17 Cb 0.68 0.18 0.00 0.00 -0.27 0.00 0.00 36.82 37.41 1s20 h ILE 17 CO 0.10 0.15 0.00 -1.28 -1.05 0.00 0.00 178.15 176.06 1s20 h SER 18 N 0.80 0.00 -0.51 2.16 0.87 -1.38 -2.01 113.55 113.49 1s20 h SER 18 Ca 0.30 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1s20 h SER 18 Cb 0.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1s20 h SER 18 CO -0.10 0.00 0.00 0.54 -0.53 0.00 0.00 176.83 176.74 1s20 n ARG 19 N -2.54 3.61 -0.56 2.24 5.12 0.22 -4.93 116.66 119.82 1s20 n ARG 19 Ca 0.00 -2.80 0.00 0.00 -1.93 0.00 0.00 57.85 53.12 1s20 n ARG 19 Cb 0.19 -1.85 0.00 0.00 -1.16 0.00 0.00 32.46 29.64 1s20 n ARG 19 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1s20 n GLY 20 N 0.62 0.81 3.64 -0.13 0.00 -0.75 -4.99 105.19 104.39 1s20 n GLY 20 Ca 0.23 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 1s20 n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s20 s VAL 21 N -2.00 5.14 0.47 1.61 1.01 -0.95 -4.96 120.40 120.73 1s20 s VAL 21 Ca 0.00 0.10 -0.24 0.00 0.00 0.00 0.00 61.98 61.84 1s20 s VAL 21 Cb 0.00 -3.38 -0.08 0.00 0.00 0.00 0.00 36.38 32.92 1s20 s VAL 21 CO 0.00 0.38 1.24 -0.90 0.00 0.00 0.00 175.10 175.82 1s20 n ASP 22 N 4.08 2.32 -0.32 3.32 3.85 -1.26 -3.79 116.55 124.75 1s20 n ASP 22 Ca -0.16 1.04 0.23 0.00 -0.71 0.00 0.00 54.79 55.20 1s20 n ASP 22 Cb 0.52 -1.50 0.51 0.00 -1.35 0.00 0.00 41.12 39.30 1s20 n ASP 22 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 1s20 h SER 23 N 1.75 0.44 0.00 -1.12 4.64 -1.97 0.11 113.55 117.40 1s20 h SER 23 Ca -0.48 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1s20 h SER 23 Cb 1.31 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1s20 h SER 23 CO 0.58 0.09 0.00 1.21 -0.87 0.00 0.00 176.83 177.84 1s20 n GLU 24 N -4.62 0.00 0.20 4.77 4.07 -1.26 -0.78 120.64 123.02 1s20 n GLU 24 Ca 0.25 0.50 0.04 0.00 -0.06 0.00 0.00 57.16 57.90 1s20 n GLU 24 Cb 0.88 -1.23 0.43 0.00 -0.06 0.00 0.00 31.44 31.45 1s20 n GLU 24 CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 1s20 h THR 25 N 0.00 1.15 -0.92 6.31 1.35 -1.86 -2.66 112.91 116.27 1s20 h THR 25 Ca 0.00 -1.04 -0.00 0.00 -0.55 0.00 0.00 66.41 64.82 1s20 h THR 25 Cb 0.00 1.57 -0.04 0.00 -1.73 0.00 0.00 68.15 67.94 1s20 h THR 25 CO 0.00 0.29 0.56 0.00 -0.25 0.00 0.00 175.52 176.13 1s20 h ALA 26 N 1.70 1.26 -0.28 6.62 0.00 -0.65 0.11 119.26 128.03 1s20 h ALA 26 Ca -0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1s20 h ALA 26 Cb 0.55 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1s20 h ALA 26 CO 0.04 0.64 -0.09 0.22 0.00 0.00 0.00 179.25 180.06 1s20 h ASP 27 N 1.27 0.56 0.13 0.00 3.58 -0.61 -1.05 116.42 120.29 1s20 h ASP 27 Ca 0.33 -0.38 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 1s20 h ASP 27 Cb -0.07 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 40.83 1s20 h ASP 27 CO -0.06 0.81 -0.06 0.00 -2.88 0.00 0.00 179.24 177.04 1s20 h ALA 28 N 0.77 -0.17 -0.50 -0.78 0.00 -1.26 -0.17 119.26 117.15 1s20 h ALA 28 Ca 0.07 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1s20 h ALA 28 Cb 0.58 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1s20 h ALA 28 CO 0.03 -0.58 0.31 0.00 0.00 0.00 0.00 179.25 179.01 1s20 h ALA 30 N 1.21 1.36 0.00 0.00 0.00 -1.05 -0.91 119.26 119.87 1s20 h ALA 30 Ca 0.20 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1s20 h ALA 30 Cb -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1s20 h ALA 30 CO -0.07 0.45 0.00 -1.91 0.00 0.00 0.00 179.25 177.71 1s20 n GLU 31 N -4.30 0.13 0.00 0.00 4.07 -0.09 -1.47 120.64 118.99 1s20 n GLU 31 Ca 0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.12 1s20 n GLU 31 Cb 0.22 -1.04 0.00 0.00 -0.06 0.00 0.00 31.44 30.56 1s20 n GLU 31 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1s20 n PHE 33 N 0.12 0.00 0.00 4.31 3.72 -0.35 -0.84 117.46 124.42 1s20 n PHE 33 Ca 0.00 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.22 1s20 n PHE 33 Cb 0.02 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.48 1s20 n PHE 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1s20 h ALA 34 N 0.00 0.24 -0.51 4.37 0.00 -1.51 -2.74 119.26 119.10 1s20 h ALA 34 Ca 0.00 -0.63 -0.04 0.00 0.00 0.00 0.00 54.91 54.24 1s20 h ALA 34 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1s20 h ALA 34 CO 0.00 0.67 0.17 0.00 0.00 0.00 0.00 179.25 180.10 1s20 h ARG 35 N 0.48 0.79 -0.48 0.00 2.47 -1.24 -0.67 114.38 115.73 1s20 h ARG 35 Ca -0.08 -0.16 0.05 0.00 -1.26 0.00 0.00 59.98 58.53 1s20 h ARG 35 Cb 1.51 -0.12 -0.05 0.00 -1.65 0.00 0.00 29.97 29.66 1s20 h ARG 35 CO 0.18 0.72 0.21 1.15 0.56 0.00 0.00 179.97 182.79 1s20 h THR 36 N 0.70 0.90 -0.07 2.04 2.02 -1.80 -1.69 112.91 115.01 1s20 h THR 36 Ca 0.17 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 1s20 h THR 36 Cb 0.25 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1s20 h THR 36 CO -0.01 0.07 0.03 0.74 0.37 0.00 0.00 175.52 176.73 1s20 h THR 37 N 0.41 1.10 0.00 3.16 2.02 -1.22 -2.54 112.91 115.85 1s20 h THR 37 Ca 0.22 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 1s20 h THR 37 Cb 0.18 1.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1s20 h THR 37 CO -0.19 0.09 -0.00 -0.08 0.37 0.00 0.00 175.52 175.71 1s20 h GLU 38 N -0.01 0.00 -0.01 6.66 4.81 -0.71 0.12 114.58 125.45 1s20 h GLU 38 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1s20 h GLU 38 Cb 0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1s20 h GLU 38 CO -0.00 0.00 -0.08 0.43 -0.73 0.00 0.00 179.01 178.63 1s20 n SER 39 N -3.09 0.84 0.00 1.04 7.64 -0.67 -4.06 113.62 115.32 1s20 n SER 39 Ca -0.03 -1.01 0.00 0.00 1.01 0.00 0.00 58.87 58.84 1s20 n SER 39 Cb 0.09 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1s20 n SER 39 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s20 n GLY 40 N 1.21 0.36 3.44 0.23 0.00 0.42 -4.29 105.19 106.57 1s20 n GLY 40 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 1s20 n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s20 s VAL 41 N -2.08 5.15 0.07 1.61 1.01 -1.01 -4.78 120.40 120.37 1s20 s VAL 41 Ca 0.00 -2.65 -0.15 0.00 0.00 0.00 0.00 61.98 59.18 1s20 s VAL 41 Cb 0.00 -4.85 -0.17 0.00 0.00 0.00 0.00 36.38 31.36 1s20 s VAL 41 CO 0.00 -1.54 1.27 1.88 0.00 0.00 0.00 175.10 176.71 1s20 h TYR 42 N 7.25 0.89 -0.81 5.22 0.05 -1.82 -2.58 116.97 125.16 1s20 h TYR 42 Ca 0.28 -0.39 0.19 0.00 0.05 0.00 0.00 58.73 58.86 1s20 h TYR 42 Cb 0.89 -0.14 -0.12 0.00 1.01 0.00 0.00 36.73 38.37 1s20 h TYR 42 CO 1.06 1.20 0.25 0.66 -1.05 0.00 0.00 178.16 180.28 1s20 h SER 43 N 0.33 0.10 -0.36 3.88 4.64 -1.96 -0.16 113.55 120.02 1s20 h SER 43 Ca -0.04 0.16 -0.05 0.00 -0.47 0.00 0.00 61.79 61.39 1s20 h SER 43 Cb 1.28 0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 63.53 1s20 h SER 43 CO 0.13 -0.05 0.02 1.41 -0.87 0.00 0.00 176.83 177.48 1s20 n HIS 44 N -5.14 1.27 0.00 4.77 8.25 -1.24 -3.53 115.22 119.60 1s20 n HIS 44 Ca 0.18 -0.98 0.00 0.00 -0.26 0.00 0.00 57.72 56.66 1s20 n HIS 44 Cb 0.56 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 31.27 1s20 n HIS 44 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1s20 n GLY 45 N -0.42 1.65 0.37 -1.41 0.00 -0.13 -4.40 105.19 100.87 1s20 n GLY 45 Ca 0.26 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.41 1s20 n GLY 45 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1s20 h VAL 46 N 0.00 0.82 0.00 1.61 3.04 -1.75 -0.37 116.25 119.60 1s20 h VAL 46 Ca 0.00 -0.21 -0.02 0.00 -1.01 0.00 0.00 66.70 65.46 1s20 h VAL 46 Cb 0.00 0.15 -0.00 0.00 -2.01 0.00 0.00 31.29 29.43 1s20 h VAL 46 CO 0.00 0.11 -0.10 0.78 -1.01 0.00 0.00 177.57 177.35 1s20 h ASN 47 N 0.61 0.00 0.18 3.17 4.21 -1.66 -2.99 115.58 119.10 1s20 h ASN 47 Ca 0.43 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.94 1s20 h ASN 47 Cb 0.76 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.96 1s20 h ASN 47 CO -0.18 0.10 -1.29 -1.14 -1.29 0.00 0.00 177.43 173.63 1s20 n ARG 48 N -3.42 0.30 -0.19 0.81 3.00 -0.18 -4.45 116.66 112.53 1s20 n ARG 48 Ca -0.01 -0.06 -0.00 0.00 -0.00 0.00 0.00 57.85 57.78 1s20 n ARG 48 Cb 0.26 -1.54 0.08 0.00 0.00 0.00 0.00 32.46 31.26 1s20 n ARG 48 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.63 177.98 1s20 h PHE 49 N 0.00 -0.05 -0.51 -0.14 3.57 -1.31 0.23 116.94 118.73 1s20 h PHE 49 Ca 0.00 0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.63 1s20 h PHE 49 Cb 0.73 0.11 -0.07 0.00 2.79 0.00 0.00 35.95 39.51 1s20 h PHE 49 CO 0.00 -0.15 0.10 -1.35 -2.23 0.00 0.00 178.31 174.68 1s20 h PRO 50 N 0.11 0.23 -0.53 6.41 0.11 -1.78 0.16 132.00 136.72 1s20 h PRO 50 Ca 0.29 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.34 1s20 h PRO 50 Cb 0.46 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 1s20 h PRO 50 CO -0.49 0.15 0.13 -0.09 -0.21 0.00 0.00 178.00 177.49 1s20 h ARG 51 N 0.24 0.85 0.15 1.05 9.65 -1.57 -1.91 114.38 122.84 1s20 h ARG 51 Ca 0.26 -0.21 0.01 0.00 -1.10 0.00 0.00 59.98 58.94 1s20 h ARG 51 Cb 0.35 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.80 1s20 h ARG 51 CO -0.34 0.81 -0.18 0.35 2.80 0.00 0.00 179.97 183.41 1s20 h PHE 52 N 0.74 -0.47 -0.83 2.20 3.57 0.00 -2.00 116.94 120.15 1s20 h PHE 52 Ca 0.17 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.74 1s20 h PHE 52 Cb 0.34 0.19 -0.06 0.00 2.79 0.00 0.00 35.95 39.21 1s20 h PHE 52 CO 0.02 -0.27 0.50 0.82 -2.23 0.00 0.00 178.31 177.16 1s20 h ILE 53 N -0.38 1.01 -0.42 1.41 1.08 -0.61 -0.91 117.51 118.70 1s20 h ILE 53 Ca 0.01 -0.31 0.05 0.00 -0.39 0.00 0.00 64.86 64.22 1s20 h ILE 53 Cb 0.37 0.02 -0.05 0.00 -3.07 0.00 0.00 36.82 34.10 1s20 h ILE 53 CO -0.07 0.17 0.15 1.56 -0.69 0.00 0.00 178.15 179.27 1s20 h GLN 54 N 0.91 0.31 -0.02 2.37 1.08 -0.88 0.38 115.11 119.26 1s20 h GLN 54 Ca 0.37 -0.02 -0.08 0.00 -1.45 0.00 0.00 58.65 57.47 1s20 h GLN 54 Cb 0.21 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 1s20 h GLN 54 CO -0.19 0.20 -0.36 1.96 -0.95 0.00 0.00 178.83 179.50 1s20 h GLN 55 N 0.32 0.03 -0.34 1.46 4.20 -0.69 -0.47 115.11 119.63 1s20 h GLN 55 Ca 0.19 -0.01 -0.14 0.00 0.06 0.00 0.00 58.65 58.75 1s20 h GLN 55 Cb 0.17 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1s20 h GLN 55 CO -0.19 0.39 -0.35 1.25 -0.67 0.00 0.00 178.83 179.26 1s20 h LEU 56 N 0.03 0.80 -0.44 1.46 5.85 -0.22 -1.17 115.31 121.61 1s20 h LEU 56 Ca 0.00 -0.34 -0.17 0.00 0.84 0.00 0.00 57.88 58.20 1s20 h LEU 56 Cb 0.65 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 1s20 h LEU 56 CO 0.05 1.07 -0.61 -0.33 -0.34 0.00 0.00 178.44 178.28 1s20 h GLU 57 N 0.64 0.58 0.00 1.25 5.08 -0.43 -3.01 114.58 118.68 1s20 h GLU 57 Ca 0.06 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1s20 h GLU 57 Cb 0.89 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1s20 h GLU 57 CO 0.08 1.01 0.00 0.09 -1.00 0.00 0.00 179.01 179.19 1s20 n ASN 58 N -3.94 0.63 0.00 1.42 3.02 -0.23 -4.87 115.26 111.30 1s20 n ASN 58 Ca -0.04 0.65 0.00 0.00 -0.03 0.00 0.00 54.58 55.16 1s20 n ASN 58 Cb 0.64 -0.79 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 1s20 n ASN 58 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s20 n GLY 59 N 0.06 0.47 0.35 7.41 0.00 -1.08 -4.95 105.19 107.46 1s20 n GLY 59 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.10 1s20 n GLY 59 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1s20 h ASP 60 N 0.00 0.73 -3.50 1.61 5.19 -1.45 -3.42 116.42 115.58 1s20 h ASP 60 Ca 0.00 0.00 -0.66 0.00 -0.62 0.00 0.00 57.03 55.75 1s20 h ASP 60 Cb 0.00 -0.15 -0.15 0.00 0.18 0.00 0.00 39.33 39.21 1s20 h ASP 60 CO 0.00 0.47 -0.71 -0.63 -3.12 0.00 0.00 179.24 175.25 1s20 s ILE 61 N -5.73 3.61 -0.37 0.35 1.01 -1.21 -4.86 121.20 113.99 1s20 s ILE 61 Ca -0.10 -1.11 0.03 0.00 0.00 0.00 0.00 60.65 59.47 1s20 s ILE 61 Cb 0.19 -2.68 0.11 0.00 0.01 0.00 0.00 42.46 40.09 1s20 s ILE 61 CO 0.78 0.16 0.10 -0.63 0.00 0.00 0.00 174.94 175.35 1s20 s ILE 62 N -1.21 2.15 0.20 2.92 1.01 0.52 -4.84 121.20 121.94 1s20 s ILE 62 Ca 0.22 -2.43 -0.21 0.00 0.00 0.00 0.00 60.65 58.23 1s20 s ILE 62 Cb -0.11 -2.57 0.15 0.00 0.01 0.00 0.00 42.46 39.94 1s20 s ILE 62 CO 0.14 -0.66 1.56 -0.65 0.00 0.00 0.00 174.94 175.33 1s20 h PRO 63 N 7.43 -0.06 0.00 2.79 0.11 -1.93 0.08 132.00 140.41 1s20 h PRO 63 Ca -0.06 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.02 1s20 h PRO 63 Cb 0.99 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1s20 h PRO 63 CO 0.54 -0.04 -0.19 -0.44 -0.21 0.00 0.00 178.00 177.67 1s20 h ASP 64 N -0.06 0.00 -2.88 -2.05 3.32 -1.95 -3.44 116.42 109.35 1s20 h ASP 64 Ca 0.28 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.74 1s20 h ASP 64 Cb 0.56 0.00 0.15 0.00 0.22 0.00 0.00 39.33 40.27 1s20 h ASP 64 CO -0.88 0.19 -0.22 0.00 -1.72 0.00 0.00 179.24 176.60 1s20 n ALA 65 N -2.47 -0.82 -3.14 3.45 0.00 0.01 -5.01 120.51 112.53 1s20 n ALA 65 Ca -0.02 0.08 -0.12 0.00 0.00 0.00 0.00 53.44 53.38 1s20 n ALA 65 Cb 0.25 -1.90 -0.10 0.00 0.00 0.00 0.00 19.45 17.70 1s20 n ALA 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1s20 s GLN 66 N -2.00 0.44 0.60 0.00 2.00 -1.26 -4.66 119.66 114.77 1s20 s GLN 66 Ca 0.67 -0.07 -0.18 0.00 -2.00 0.00 0.00 55.36 53.78 1s20 s GLN 66 Cb -0.51 0.19 -0.07 0.00 0.80 0.00 0.00 33.01 33.43 1s20 s GLN 66 CO 0.55 -0.10 0.65 -2.30 -0.50 0.00 0.00 175.29 173.59 1s20 n PRO 67 N 2.01 0.59 -3.69 1.67 -0.02 -1.26 -4.74 135.00 129.56 1s20 n PRO 67 Ca -0.18 0.23 -0.12 0.00 -2.02 0.00 0.00 63.50 61.41 1s20 n PRO 67 Cb 0.57 -1.85 -0.12 0.00 -0.02 0.00 0.00 33.50 32.08 1s20 n PRO 67 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1s20 s LYS 68 N -2.35 0.21 0.50 -0.52 2.20 -0.13 -4.99 119.74 114.66 1s20 s LYS 68 Ca 0.71 0.72 -0.22 0.00 -0.36 0.00 0.00 55.97 56.82 1s20 s LYS 68 Cb -0.43 -0.02 -0.06 0.00 -1.51 0.00 0.00 37.83 35.81 1s20 s LYS 68 CO 0.52 -0.23 1.19 0.50 -0.36 0.00 0.00 175.35 176.97 1s20 s ARG 69 N 1.99 3.54 -0.01 4.03 3.52 -1.26 -0.12 118.95 130.63 1s20 s ARG 69 Ca -0.03 1.83 -0.04 0.00 -0.13 0.00 0.00 55.73 57.36 1s20 s ARG 69 Cb -0.11 -2.28 -0.02 0.00 -1.56 0.00 0.00 34.95 30.98 1s20 s ARG 69 CO -0.09 -0.75 -0.08 -0.89 -0.81 0.00 0.00 175.30 172.68 1s20 n ILE 70 N -0.79 0.84 -4.25 4.11 2.08 0.89 -4.82 119.36 117.44 1s20 n ILE 70 Ca 0.09 0.14 -0.18 0.00 0.56 0.00 0.00 62.75 63.37 1s20 n ILE 70 Cb 0.48 -1.68 -0.15 0.00 -0.75 0.00 0.00 39.64 37.55 1s20 n ILE 70 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 1s20 s THR 71 N -2.16 0.55 -0.24 1.39 2.01 -0.94 -4.99 115.64 111.26 1s20 s THR 71 Ca -0.08 -0.27 0.02 0.00 0.31 0.00 0.00 61.69 61.67 1s20 s THR 71 Cb 0.02 -0.48 0.05 0.00 0.01 0.00 0.00 72.50 72.10 1s20 s THR 71 CO 0.10 0.17 -0.13 -0.55 -0.69 0.00 0.00 174.62 173.52 1s20 s SER 72 N -0.00 4.12 -0.28 3.53 0.15 -1.26 -0.65 113.70 119.31 1s20 s SER 72 Ca 0.00 -1.19 0.09 0.00 0.70 0.00 0.00 55.95 55.55 1s20 s SER 72 Cb -0.05 -1.54 0.48 0.00 -1.71 0.00 0.00 66.02 63.21 1s20 s SER 72 CO -0.00 -0.14 1.40 -0.11 1.20 0.00 0.00 173.24 175.59 1s20 n LEU 73 N 4.49 3.88 0.00 3.45 7.94 -0.54 -5.04 117.00 131.18 1s20 n LEU 73 Ca -0.16 -3.89 0.00 0.00 -1.11 0.00 0.00 56.01 50.85 1s20 n LEU 73 Cb 0.44 -0.60 0.00 0.00 0.53 0.00 0.00 43.42 43.79 1s20 n LEU 73 CO 0.23 1.36 0.00 0.61 -1.11 0.00 0.00 177.39 178.48 1s20 n GLY 74 N -1.10 1.10 0.21 -3.96 0.00 -1.26 -4.18 105.19 96.00 1s20 n GLY 74 Ca 0.31 -0.69 0.11 0.00 0.00 0.00 0.00 46.02 45.75 1s20 n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s20 h ALA 75 N 0.00 0.94 -3.38 4.61 0.00 -1.93 -3.45 119.26 116.05 1s20 h ALA 75 Ca 0.00 -0.11 -0.66 0.00 0.00 0.00 0.00 54.91 54.14 1s20 h ALA 75 Cb 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 17.64 1s20 h ALA 75 CO 0.00 0.14 -0.65 0.42 0.00 0.00 0.00 179.25 179.16 1s20 s ILE 76 N -3.28 4.08 -0.08 0.00 1.01 -1.26 -1.68 121.20 119.99 1s20 s ILE 76 Ca 0.05 -0.70 -0.03 0.00 0.00 0.00 0.00 60.65 59.96 1s20 s ILE 76 Cb 0.07 -2.84 0.05 0.00 0.01 0.00 0.00 42.46 39.74 1s20 s ILE 76 CO 0.66 0.32 0.17 -1.61 0.00 0.00 0.00 174.94 174.49 1s20 s GLU 77 N -1.71 0.08 -0.15 2.79 2.02 -0.47 -1.47 118.70 119.79 1s20 s GLU 77 Ca 0.21 0.51 -0.16 0.00 0.02 0.00 0.00 54.97 55.55 1s20 s GLU 77 Cb -0.12 -0.20 -0.04 0.00 0.10 0.00 0.00 34.13 33.87 1s20 s GLU 77 CO 0.12 -0.24 0.39 -1.14 0.02 0.00 0.00 175.26 174.41 1s20 s GLN 78 N 1.79 4.28 0.25 1.61 0.74 0.18 -1.52 119.66 126.99 1s20 s GLN 78 Ca -0.03 0.27 0.07 0.00 0.05 0.00 0.00 55.36 55.73 1s20 s GLN 78 Cb -0.12 -3.45 -0.05 0.00 1.10 0.00 0.00 33.01 30.49 1s20 s GLN 78 CO -0.06 0.16 -0.10 -1.58 -0.55 0.00 0.00 175.29 173.15 1s20 s TRP 79 N 0.68 1.86 -0.17 1.67 0.52 0.47 -0.07 118.94 123.89 1s20 s TRP 79 Ca 0.21 -0.63 0.01 0.00 0.02 0.00 0.00 56.10 55.71 1s20 s TRP 79 Cb -0.14 -0.96 0.02 0.00 -1.15 0.00 0.00 33.47 31.23 1s20 s TRP 79 CO 0.07 0.33 -0.20 0.34 0.02 0.00 0.00 176.95 177.51 1s20 s ASP 80 N -3.39 3.12 0.31 2.95 -1.08 0.83 -2.28 116.67 117.14 1s20 s ASP 80 Ca 0.26 -0.64 0.16 0.00 -0.52 0.00 0.00 52.55 51.82 1s20 s ASP 80 Cb 0.01 -1.47 0.34 0.00 -1.46 0.00 0.00 42.92 40.34 1s20 s ASP 80 CO 0.10 0.02 1.57 0.00 0.52 0.00 0.00 175.17 177.37 1s20 h ALA 81 N 7.81 0.80 -5.01 3.66 0.00 -1.19 -0.31 119.26 125.02 1s20 h ALA 81 Ca -0.43 -0.44 -0.41 0.00 0.00 0.00 0.00 54.91 53.63 1s20 h ALA 81 Cb 1.15 -0.08 0.06 0.00 0.00 0.00 0.00 17.79 18.92 1s20 h ALA 81 CO 0.62 0.60 -0.63 1.04 0.00 0.00 0.00 179.25 180.88 1s20 n GLN 82 N -3.38 -5.49 -2.34 0.00 6.02 -1.19 -2.04 117.38 108.96 1s20 n GLN 82 Ca 0.01 0.83 -0.20 0.00 -0.01 0.00 0.00 57.00 57.62 1s20 n GLN 82 Cb 0.64 -5.72 -0.01 0.00 1.02 0.00 0.00 30.24 26.17 1s20 n GLN 82 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1s20 n ARG 83 N -4.27 -1.60 -1.82 -1.09 5.12 0.55 -4.77 116.66 108.78 1s20 n ARG 83 Ca -0.07 0.99 -0.29 0.00 -1.93 0.00 0.00 57.85 56.56 1s20 n ARG 83 Cb 0.59 -5.60 0.11 0.00 -1.16 0.00 0.00 32.46 26.40 1s20 n ARG 83 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1s20 s SER 84 N -2.13 4.19 0.09 0.55 1.04 -0.87 -0.36 113.70 116.22 1s20 s SER 84 Ca 0.00 0.79 -0.37 0.00 0.48 0.00 0.00 55.95 56.86 1s20 s SER 84 Cb 0.00 -1.27 -0.16 0.00 0.10 0.00 0.00 66.02 64.68 1s20 s SER 84 CO 0.00 -2.11 1.37 -0.38 0.98 0.00 0.00 173.24 173.10 1s20 n ILE 85 N -3.45 0.00 0.13 -1.02 2.08 -1.26 -4.09 119.36 111.75 1s20 n ILE 85 Ca 0.08 -0.00 -0.08 0.00 0.56 0.00 0.00 62.75 63.31 1s20 n ILE 85 Cb 0.61 -0.89 -0.05 0.00 -0.75 0.00 0.00 39.64 38.56 1s20 n ILE 85 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1s20 h GLY 86 N 4.72 -0.97 0.96 7.39 0.00 -1.78 -2.65 103.07 110.74 1s20 h GLY 86 Ca -0.47 0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 1s20 h GLY 86 CO 0.79 -0.32 -0.11 3.45 0.00 0.00 0.00 176.54 180.35 1s20 h ASN 87 N -0.46 -0.28 -0.31 0.19 7.08 -1.74 -1.86 115.58 118.20 1s20 h ASN 87 Ca -0.03 0.02 0.07 0.00 -3.08 0.00 0.00 56.30 53.27 1s20 h ASN 87 Cb 0.40 0.08 -0.07 0.00 -2.08 0.00 0.00 38.32 36.66 1s20 h ASN 87 CO -0.03 -0.19 -0.13 -0.07 -2.08 0.00 0.00 177.43 174.93 1s20 h LEU 88 N -0.29 -0.44 -0.64 6.14 3.38 -1.94 0.52 115.31 122.03 1s20 h LEU 88 Ca -0.02 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1s20 h LEU 88 Cb 0.24 0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1s20 h LEU 88 CO 0.03 -0.16 0.25 0.74 0.09 0.00 0.00 178.44 179.38 1s20 h THR 89 N -0.07 1.24 -0.81 0.22 2.02 -1.45 -1.74 112.91 112.31 1s20 h THR 89 Ca 0.16 -0.76 -0.03 0.00 0.77 0.00 0.00 66.41 66.55 1s20 h THR 89 Cb 0.32 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.22 1s20 h THR 89 CO -0.36 0.30 0.38 0.00 0.37 0.00 0.00 175.52 176.20 1s20 h ALA 90 N 1.10 1.05 -0.68 6.16 0.00 -0.75 -2.36 119.26 123.77 1s20 h ALA 90 Ca 0.21 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1s20 h ALA 90 Cb 0.22 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1s20 h ALA 90 CO -0.02 0.62 0.29 -0.22 0.00 0.00 0.00 179.25 179.93 1s20 h LYS 91 N 1.16 1.01 -5.13 0.00 3.64 -0.64 -3.42 116.57 113.18 1s20 h LYS 91 Ca 0.28 -0.17 -0.39 0.00 -1.27 0.00 0.00 60.65 59.09 1s20 h LYS 91 Cb 0.13 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1s20 h LYS 91 CO -0.03 0.82 1.27 1.63 -2.27 0.00 0.00 179.45 180.87 1s20 n LYS 92 N -4.41 1.27 0.00 1.90 5.02 -0.68 -4.68 118.16 116.58 1s20 n LYS 92 Ca 0.05 -2.11 0.00 0.00 -2.02 0.00 0.00 58.31 54.23 1s20 n LYS 92 Cb 0.16 -3.46 0.00 0.00 -0.02 0.00 0.00 35.03 31.71 1s20 n LYS 92 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1s20 n ASP 95 N 12.97 0.00 0.06 4.39 10.43 -1.26 -4.70 116.55 138.43 1s20 n ASP 95 Ca 0.46 0.00 -0.06 0.00 2.57 0.00 0.00 54.79 57.75 1s20 n ASP 95 Cb 0.45 0.00 0.10 0.00 1.84 0.00 0.00 41.12 43.51 1s20 n ASP 95 CO 0.00 0.00 0.00 -0.09 -1.07 0.00 0.00 177.20 176.04 1s20 h ARG 96 N 0.00 0.36 0.00 -1.24 9.65 -1.95 -2.43 114.38 118.77 1s20 h ARG 96 Ca 0.00 -0.23 -0.08 0.00 -1.10 0.00 0.00 59.98 58.56 1s20 h ARG 96 Cb 0.00 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.60 1s20 h ARG 96 CO 0.00 0.83 -0.40 0.00 2.80 0.00 0.00 179.97 183.20 1s20 h ALA 97 N 1.12 1.04 -0.22 2.80 0.00 -1.90 -2.23 119.26 119.86 1s20 h ALA 97 Ca 0.00 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 1s20 h ALA 97 Cb 1.08 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1s20 h ALA 97 CO 0.10 0.50 -0.14 0.82 0.00 0.00 0.00 179.25 180.53 1s20 h ILE 98 N 0.00 1.31 -0.60 0.00 2.04 -1.84 -0.44 117.51 117.99 1s20 h ILE 98 Ca -0.00 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.61 1s20 h ILE 98 Cb 0.89 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 38.60 1s20 h ILE 98 CO 0.05 0.38 0.38 -0.33 0.00 0.00 0.00 178.15 178.64 1s20 h GLU 99 N 0.18 0.81 -0.64 2.37 5.08 -1.26 0.13 114.58 121.24 1s20 h GLU 99 Ca 0.04 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1s20 h GLU 99 Cb 0.66 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 1s20 h GLU 99 CO 0.04 0.56 0.25 -0.07 -1.00 0.00 0.00 179.01 178.78 1s20 h LEU 100 N 0.82 0.86 -0.69 1.33 3.38 -1.31 -2.58 115.31 117.12 1s20 h LEU 100 Ca 0.22 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.94 1s20 h LEU 100 Cb -0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1s20 h LEU 100 CO -0.04 0.78 -0.39 0.00 0.09 0.00 0.00 178.44 178.88 1s20 h ALA 101 N 1.35 0.87 0.00 1.53 0.00 0.01 0.12 119.26 123.14 1s20 h ALA 101 Ca 0.22 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1s20 h ALA 101 Cb 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1s20 h ALA 101 CO -0.02 0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.87 1s20 h ALA 102 N 1.11 1.00 0.00 0.00 0.00 -0.39 0.55 119.26 121.53 1s20 h ALA 102 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.71 1s20 h ALA 102 Cb 0.88 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 1s20 h ALA 102 CO 0.08 0.00 -1.91 -0.25 0.00 0.00 0.00 179.25 177.16 1s20 n ASP 103 N -2.76 1.94 -0.25 0.00 10.43 -0.99 -4.68 116.55 120.24 1s20 n ASP 103 Ca -0.00 -0.02 0.04 0.00 2.57 0.00 0.00 54.79 57.38 1s20 n ASP 103 Cb 0.18 0.61 0.01 0.00 1.84 0.00 0.00 41.12 43.76 1s20 n ASP 103 CO 0.00 0.00 0.00 1.41 -1.07 0.00 0.00 177.20 177.54 1s20 n HIS 104 N -2.58 0.00 0.00 1.24 8.25 0.40 -4.98 115.22 117.55 1s20 n HIS 104 Ca -0.23 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.23 1s20 n HIS 104 Cb 0.91 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.02 1s20 n HIS 104 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1s20 n GLY 105 N 0.77 2.91 3.31 -1.41 0.00 0.19 -4.93 105.19 106.03 1s20 n GLY 105 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 1s20 n GLY 105 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1s20 s ILE 106 N -1.87 -0.00 0.02 -0.61 2.07 -1.24 -1.08 121.20 118.48 1s20 s ILE 106 Ca 0.00 0.01 0.04 0.00 -1.41 0.00 0.00 60.65 59.30 1s20 s ILE 106 Cb 0.00 -0.60 -0.02 0.00 0.13 0.00 0.00 42.46 41.98 1s20 s ILE 106 CO 0.00 0.01 -0.12 -0.83 -1.91 0.00 0.00 174.94 172.08 1s20 s GLY 107 N 0.41 0.67 -0.03 1.50 0.00 -0.07 -4.23 107.32 105.57 1s20 s GLY 107 Ca -0.02 -0.67 -0.00 0.00 0.00 0.00 0.00 44.72 44.04 1s20 s GLY 107 CO -0.02 -0.62 0.02 -2.27 0.00 0.00 0.00 173.10 170.21 1s20 s LEU 108 N -0.76 0.97 -0.12 0.66 0.20 -0.67 -1.09 118.68 117.87 1s20 s LEU 108 Ca 0.02 -0.00 0.03 0.00 0.69 0.00 0.00 54.13 54.87 1s20 s LEU 108 Cb -0.06 -0.19 -0.00 0.00 -0.43 0.00 0.00 46.19 45.51 1s20 s LEU 108 CO 0.00 -0.13 -0.21 -0.69 -0.29 0.00 0.00 176.35 175.03 1s20 s VAL 109 N 1.25 2.28 -0.26 1.68 1.01 0.92 -1.37 120.40 125.91 1s20 s VAL 109 Ca -0.07 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 60.93 1s20 s VAL 109 Cb -0.13 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.35 1s20 s VAL 109 CO -0.02 0.55 0.02 0.00 0.00 0.00 0.00 175.10 175.65 1s20 s ALA 110 N 0.51 2.96 -0.15 5.51 0.00 -0.58 -0.81 121.76 129.20 1s20 s ALA 110 Ca -0.13 -1.32 -0.02 0.00 0.00 0.00 0.00 51.96 50.48 1s20 s ALA 110 Cb -0.17 -1.95 -0.02 0.00 0.00 0.00 0.00 23.12 20.99 1s20 s ALA 110 CO 0.05 -0.70 -0.08 -1.17 0.00 0.00 0.00 175.76 173.86 1s20 s LEU 111 N 1.49 2.96 0.41 0.00 2.96 0.36 -0.39 118.68 126.46 1s20 s LEU 111 Ca 0.04 -0.25 0.07 0.00 -0.22 0.00 0.00 54.13 53.77 1s20 s LEU 111 Cb -0.16 -1.70 -0.06 0.00 0.50 0.00 0.00 46.19 44.78 1s20 s LEU 111 CO -0.00 0.15 0.15 0.00 -1.32 0.00 0.00 176.35 175.33 1s20 s ARG 112 N 0.47 2.19 -1.49 1.98 1.70 -0.96 -0.88 118.95 121.96 1s20 s ARG 112 Ca -0.06 -1.86 -0.12 0.00 -0.47 0.00 0.00 55.73 53.21 1s20 s ARG 112 Cb -0.15 -1.94 0.08 0.00 -0.57 0.00 0.00 34.95 32.36 1s20 s ARG 112 CO 0.04 -0.09 0.84 0.09 -1.08 0.00 0.00 175.30 175.09 1s20 n ASN 113 N -1.19 -4.71 -4.99 -2.89 3.02 -1.06 -0.86 115.26 102.58 1s20 n ASN 113 Ca -0.02 -0.65 -0.19 0.00 -0.03 0.00 0.00 54.58 53.69 1s20 n ASN 113 Cb 0.65 -3.79 0.02 0.00 -0.61 0.00 0.00 39.78 36.04 1s20 n ASN 113 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s20 s ALA 114 N -3.20 4.19 0.31 5.41 0.00 -0.24 -0.33 121.76 127.89 1s20 s ALA 114 Ca 0.58 -1.46 0.08 0.00 0.00 0.00 0.00 51.96 51.16 1s20 s ALA 114 Cb -0.29 -1.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 1s20 s ALA 114 CO 0.71 -0.43 0.12 -0.80 0.00 0.00 0.00 175.76 175.36 1s20 s ASN 115 N -4.34 4.80 -0.23 0.00 -0.87 -1.26 0.06 114.94 113.09 1s20 s ASN 115 Ca 0.54 -0.66 -0.42 0.00 -1.57 0.00 0.00 52.86 50.76 1s20 s ASN 115 Cb -0.10 -0.86 -0.18 0.00 -0.02 0.00 0.00 41.25 40.09 1s20 s ASN 115 CO 0.35 -0.20 1.51 1.57 -2.57 0.00 0.00 177.10 177.77 1s20 n HIS 116 N -1.11 1.63 0.00 2.20 -0.00 -1.26 -4.45 115.22 112.23 1s20 n HIS 116 Ca -0.04 0.83 0.00 0.00 -0.00 0.00 0.00 57.72 58.51 1s20 n HIS 116 Cb 0.60 -2.30 0.00 0.00 -0.00 0.00 0.00 29.99 28.29 1s20 n HIS 116 CO 0.00 0.00 0.00 -2.67 -0.00 0.00 0.00 176.34 173.67 1s20 n TRP 117 N 3.79 0.00 -0.30 1.57 2.14 -1.26 -4.12 117.44 119.26 1s20 n TRP 117 Ca 0.25 0.00 -0.11 0.00 2.07 0.00 0.00 57.50 59.72 1s20 n TRP 117 Cb 0.07 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.54 1s20 n TRP 117 CO 0.00 0.00 0.00 -2.13 2.07 0.00 0.00 177.69 177.63 1s20 n ARG 119 N 0.00 0.00 -0.24 -2.67 0.63 -1.26 -4.23 116.66 108.89 1s20 n ARG 119 Ca 0.00 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.07 1s20 n ARG 119 Cb 0.00 -0.32 0.43 0.00 0.45 0.00 0.00 32.46 33.02 1s20 n ARG 119 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1s20 h GLY 120 N 2.30 1.04 1.94 5.14 0.00 -1.99 -1.30 103.07 110.20 1s20 h GLY 120 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1s20 h GLY 120 CO 0.27 0.06 0.03 -1.33 0.00 0.00 0.00 176.54 175.57 1s20 h GLY 121 N 0.58 0.00 1.01 4.60 0.00 -1.96 -2.70 103.07 104.60 1s20 h GLY 121 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1s20 h GLY 121 CO -0.18 0.00 0.58 1.76 0.00 0.00 0.00 176.54 178.69 1s20 h SER 122 N 0.00 1.07 0.44 0.19 0.02 -1.63 0.29 113.55 113.92 1s20 h SER 122 Ca 0.01 -0.05 -0.22 0.00 -0.84 0.00 0.00 61.79 60.69 1s20 h SER 122 Cb 0.06 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.33 1s20 h SER 122 CO -0.00 0.79 -0.96 1.88 -1.14 0.00 0.00 176.83 177.40 1s20 h TYR 123 N 1.24 0.51 -0.33 3.45 0.05 -1.66 0.32 116.97 120.56 1s20 h TYR 123 Ca 0.33 -0.29 -0.14 0.00 0.05 0.00 0.00 58.73 58.67 1s20 h TYR 123 Cb -0.10 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 37.58 1s20 h TYR 123 CO -0.00 1.12 -0.38 0.78 -1.05 0.00 0.00 178.16 178.64 1s20 h GLY 124 N 1.44 0.83 1.02 3.88 0.00 -1.49 -2.95 103.07 105.80 1s20 h GLY 124 Ca -0.08 -0.83 -0.11 0.00 0.00 0.00 0.00 47.33 46.31 1s20 h GLY 124 CO 0.16 0.75 -0.20 -0.25 0.00 0.00 0.00 176.54 177.00 1s20 h TRP 125 N 0.63 0.94 0.00 5.60 2.91 -0.87 -1.92 115.95 123.24 1s20 h TRP 125 Ca 0.06 -0.24 -0.02 0.00 1.13 0.00 0.00 58.89 59.82 1s20 h TRP 125 Cb 0.92 -0.22 -0.00 0.00 -0.51 0.00 0.00 29.16 29.35 1s20 h TRP 125 CO 0.05 1.00 -0.09 -0.56 -1.03 0.00 0.00 178.44 177.81 1s20 h GLN 126 N 0.62 0.00 0.00 2.65 3.07 -0.88 -0.59 115.11 119.98 1s20 h GLN 126 Ca 0.08 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.76 1s20 h GLN 126 Cb 0.76 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.33 1s20 h GLN 126 CO 0.06 0.09 -0.27 0.00 0.09 0.00 0.00 178.83 178.81 1s20 h ALA 127 N 1.91 0.03 -0.71 0.06 0.00 -1.31 -3.08 119.26 116.16 1s20 h ALA 127 Ca -0.00 -0.48 0.03 0.00 0.00 0.00 0.00 54.91 54.46 1s20 h ALA 127 Cb 0.20 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1s20 h ALA 127 CO 0.01 0.10 0.47 0.00 0.00 0.00 0.00 179.25 179.83 1s20 h ALA 128 N 0.25 1.56 0.00 0.00 0.00 -0.76 0.29 119.26 120.60 1s20 h ALA 128 Ca -0.03 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1s20 h ALA 128 Cb 1.03 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1s20 h ALA 128 CO 0.05 0.38 -0.13 0.93 0.00 0.00 0.00 179.25 180.48 1s20 h GLU 129 N 0.89 0.00 -0.05 0.00 5.08 -1.15 -1.25 114.58 118.10 1s20 h GLU 129 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1s20 h GLU 129 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1s20 h GLU 129 CO -0.07 0.13 0.00 1.63 -1.00 0.00 0.00 179.01 179.69 1s20 n LYS 130 N -3.68 1.45 -0.24 2.33 4.76 0.04 -4.90 118.16 117.93 1s20 n LYS 130 Ca -0.02 -0.66 0.00 0.00 -2.87 0.00 0.00 58.31 54.76 1s20 n LYS 130 Cb 0.24 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 32.00 1s20 n LYS 130 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1s20 n GLY 131 N 1.07 1.04 3.96 0.72 0.00 -0.47 -5.05 105.19 106.46 1s20 n GLY 131 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 1s20 n GLY 131 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s20 s TYR 132 N -2.70 3.25 -0.06 1.61 2.02 -0.91 -4.37 117.35 116.19 1s20 s TYR 132 Ca 0.00 0.15 -0.18 0.00 -0.37 0.00 0.00 57.07 56.67 1s20 s TYR 132 Cb 0.00 -2.16 -0.05 0.00 -0.40 0.00 0.00 41.96 39.36 1s20 s TYR 132 CO 0.00 -0.18 0.48 0.42 -1.57 0.00 0.00 175.55 174.70 1s20 s ILE 133 N -2.42 5.07 -0.06 2.71 1.01 0.30 -3.11 121.20 124.71 1s20 s ILE 133 Ca 0.46 0.98 0.06 0.00 0.00 0.00 0.00 60.65 62.15 1s20 s ILE 133 Cb -0.10 -3.81 -0.01 0.00 0.01 0.00 0.00 42.46 38.55 1s20 s ILE 133 CO 0.36 0.42 -0.23 -0.83 0.00 0.00 0.00 174.94 174.66 1s20 s GLY 134 N -0.07 1.34 -0.02 6.18 0.00 -0.70 -0.85 107.32 113.20 1s20 s GLY 134 Ca 0.26 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.95 1s20 s GLY 134 CO 0.13 -0.65 0.00 -0.42 0.00 0.00 0.00 173.10 172.16 1s20 s ILE 135 N -0.21 0.11 0.06 0.90 1.01 -0.65 0.00 121.20 122.41 1s20 s ILE 135 Ca -0.02 0.07 -0.26 0.00 0.00 0.00 0.00 60.65 60.44 1s20 s ILE 135 Cb -0.13 -0.18 0.08 0.00 0.01 0.00 0.00 42.46 42.23 1s20 s ILE 135 CO 0.03 0.10 0.70 0.00 0.00 0.00 0.00 174.94 175.77 1s20 s TRP 137 N -2.84 -0.34 0.20 0.00 -2.14 -0.75 -0.32 118.94 112.74 1s20 s TRP 137 Ca -0.01 0.01 -0.07 0.00 2.66 0.00 0.00 56.10 58.69 1s20 s TRP 137 Cb -0.01 0.61 -0.02 0.00 -3.10 0.00 0.00 33.47 30.95 1s20 s TRP 137 CO -0.06 -1.03 0.27 -0.08 -2.66 0.00 0.00 176.95 173.39 1s20 s THR 138 N -3.84 0.03 0.10 0.66 -1.32 -1.24 -0.62 115.64 109.42 1s20 s THR 138 Ca 0.06 -1.64 0.01 0.00 -1.21 0.00 0.00 61.69 58.91 1s20 s THR 138 Cb -0.03 -2.17 0.01 0.00 -1.51 0.00 0.00 72.50 68.79 1s20 s THR 138 CO -0.03 -0.14 0.09 -0.46 -2.21 0.00 0.00 174.62 171.88 1s20 n ASN 139 N -0.27 1.08 -1.34 8.08 0.23 -0.67 -3.79 115.26 118.59 1s20 n ASN 139 Ca -0.03 -1.33 -0.01 0.00 -0.53 0.00 0.00 54.58 52.68 1s20 n ASN 139 Cb 0.64 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.32 1s20 n ASN 139 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1s20 n SER 140 N -2.21 -0.38 -4.83 0.53 3.41 -1.26 -4.73 113.62 104.15 1s20 n SER 140 Ca 0.00 -1.25 -0.30 0.00 -0.26 0.00 0.00 58.87 57.06 1s20 n SER 140 Cb 0.11 0.63 0.07 0.00 -0.26 0.00 0.00 64.21 64.77 1s20 n SER 140 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1s20 s ILE 141 N -2.75 3.30 -0.20 -1.33 -4.36 -1.26 -4.34 121.20 110.26 1s20 s ILE 141 Ca 0.03 0.42 -0.29 0.00 -0.26 0.00 0.00 60.65 60.55 1s20 s ILE 141 Cb -0.01 -3.24 -0.03 0.00 1.25 0.00 0.00 42.46 40.43 1s20 s ILE 141 CO 0.02 -0.55 1.62 0.00 0.24 0.00 0.00 174.94 176.27 1s20 s ALA 142 N -3.21 3.31 -0.14 2.27 0.00 -1.26 -4.28 121.76 118.45 1s20 s ALA 142 Ca 0.60 0.52 0.20 0.00 0.00 0.00 0.00 51.96 53.28 1s20 s ALA 142 Cb -0.13 -3.84 0.45 0.00 0.00 0.00 0.00 23.12 19.60 1s20 s ALA 142 CO 0.54 -1.89 1.17 1.33 0.00 0.00 0.00 175.76 176.91 1s20 n VAL 143 N 6.30 1.10 -5.16 0.00 0.24 -0.86 -4.81 118.33 115.14 1s20 n VAL 143 Ca 0.19 -2.35 -0.30 0.00 -2.04 0.00 0.00 64.34 59.83 1s20 n VAL 143 Cb 0.45 0.54 -0.16 0.00 -1.47 0.00 0.00 33.84 33.21 1s20 n VAL 143 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1s20 s PRO 145 N -2.07 1.98 0.82 7.34 0.04 -1.25 -4.78 135.00 137.07 1s20 s PRO 145 Ca 0.35 -0.98 -0.10 0.00 0.04 0.00 0.00 61.00 60.31 1s20 s PRO 145 Cb 0.37 -1.99 0.08 0.00 0.04 0.00 0.00 34.50 33.00 1s20 s PRO 145 CO -0.09 0.54 1.10 -1.25 0.04 0.00 0.00 177.00 177.34 1s20 s PRO 146 N -0.81 1.88 0.05 0.56 0.04 -1.26 -4.85 135.00 130.61 1s20 s PRO 146 Ca 0.10 1.24 -0.31 0.00 0.04 0.00 0.00 61.00 62.07 1s20 s PRO 146 Cb -0.10 -1.85 -0.10 0.00 0.04 0.00 0.00 34.50 32.49 1s20 s PRO 146 CO -0.00 -1.93 1.90 1.87 0.04 0.00 0.00 177.00 178.88 1s20 n TRP 147 N -3.73 2.50 0.00 0.56 -0.00 -1.26 -1.27 117.44 114.24 1s20 n TRP 147 Ca 0.10 -0.21 0.00 0.00 -0.00 0.00 0.00 57.50 57.39 1s20 n TRP 147 Cb 0.53 -2.74 0.00 0.00 -0.00 0.00 0.00 31.31 29.09 1s20 n TRP 147 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1s20 n GLY 148 N 4.37 1.97 3.91 5.87 0.00 -1.26 -5.07 105.19 114.98 1s20 n GLY 148 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 1s20 n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s20 s ALA 149 N -2.39 4.04 0.00 4.61 0.00 -0.40 -5.02 121.76 122.61 1s20 s ALA 149 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 50.33 1s20 s ALA 149 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 23.12 21.78 1s20 s ALA 149 CO 0.00 -0.06 0.82 0.36 0.00 0.00 0.00 175.76 176.88 1s20 n LYS 150 N -1.51 1.66 -4.96 0.00 2.85 -1.26 -4.71 118.16 110.23 1s20 n LYS 150 Ca 0.00 -1.14 -0.32 0.00 -1.05 0.00 0.00 58.31 55.80 1s20 n LYS 150 Cb 0.59 -0.97 -0.14 0.00 -0.65 0.00 0.00 35.03 33.87 1s20 n LYS 150 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1s20 s GLU 151 N -0.65 2.27 -0.06 -1.58 2.12 -1.26 -4.86 118.70 114.69 1s20 s GLU 151 Ca 0.00 -0.84 -0.30 0.00 0.36 0.00 0.00 54.97 54.19 1s20 s GLU 151 Cb 0.00 -2.23 -0.05 0.00 0.26 0.00 0.00 34.13 32.12 1s20 s GLU 151 CO 0.00 0.58 1.48 0.00 -0.54 0.00 0.00 175.26 176.79 1s20 n ARG 153 N 6.42 0.00 -4.26 0.00 5.12 -1.26 -4.79 116.66 117.89 1s20 n ARG 153 Ca 0.15 -0.07 -0.14 0.00 -1.93 0.00 0.00 57.85 55.86 1s20 n ARG 153 Cb 0.43 -0.45 -0.10 0.00 -1.16 0.00 0.00 32.46 31.19 1s20 n ARG 153 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 1s20 s ILE 154 N 0.00 1.09 0.42 0.55 -4.36 -1.26 -4.82 121.20 112.82 1s20 s ILE 154 Ca 0.00 -2.04 0.08 0.00 -0.26 0.00 0.00 60.65 58.42 1s20 s ILE 154 Cb 0.00 -1.94 0.01 0.00 1.25 0.00 0.00 42.46 41.77 1s20 s ILE 154 CO 0.00 -0.66 0.55 -0.83 0.24 0.00 0.00 174.94 174.24 1s20 s GLY 155 N -3.19 1.97 0.43 6.27 0.00 -1.26 -2.02 107.32 109.52 1s20 s GLY 155 Ca 0.19 -1.70 0.23 0.00 0.00 0.00 0.00 44.72 43.45 1s20 s GLY 155 CO 0.02 -1.51 1.76 -0.91 0.00 0.00 0.00 173.10 172.46 1s20 h THR 156 N 0.68 0.49 -2.40 0.90 1.35 -1.91 -3.47 112.91 108.56 1s20 h THR 156 Ca -0.40 -1.22 -0.04 0.00 -0.55 0.00 0.00 66.41 64.21 1s20 h THR 156 Cb 1.28 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 69.56 1s20 h THR 156 CO 0.46 0.22 -0.12 0.59 -0.25 0.00 0.00 175.52 176.42 1s20 n ASN 157 N -3.31 -0.53 -4.74 5.36 3.02 -1.26 -4.42 115.26 109.38 1s20 n ASN 157 Ca 0.01 -0.01 -0.41 0.00 -0.03 0.00 0.00 54.58 54.13 1s20 n ASN 157 Cb 0.47 -0.15 -0.03 0.00 -0.61 0.00 0.00 39.78 39.46 1s20 n ASN 157 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 1s20 s PRO 158 N -0.23 4.37 -0.18 3.52 0.02 -1.25 -4.83 135.00 136.42 1s20 s PRO 158 Ca 0.04 2.11 -0.06 0.00 0.02 0.00 0.00 61.00 63.11 1s20 s PRO 158 Cb -0.00 -3.16 -0.03 0.00 0.02 0.00 0.00 34.50 31.32 1s20 s PRO 158 CO 0.08 -0.26 0.02 -1.17 -0.33 0.00 0.00 177.00 175.34 1s20 s LEU 159 N -0.39 3.55 -0.11 -5.54 2.96 -1.26 -3.61 118.68 114.28 1s20 s LEU 159 Ca 0.56 -0.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.46 1s20 s LEU 159 Cb -0.38 -1.89 -0.01 0.00 0.50 0.00 0.00 46.19 44.41 1s20 s LEU 159 CO 0.41 0.15 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.77 1s20 s ILE 160 N 0.51 2.53 -0.13 6.68 1.09 0.57 -4.16 121.20 128.29 1s20 s ILE 160 Ca 0.01 -0.86 -0.04 0.00 -1.10 0.00 0.00 60.65 58.66 1s20 s ILE 160 Cb -0.13 -2.01 0.05 0.00 -1.06 0.00 0.00 42.46 39.31 1s20 s ILE 160 CO 0.02 0.55 0.08 -0.69 -0.10 0.00 0.00 174.94 174.79 1s20 s VAL 161 N 0.25 -0.06 -0.00 2.92 1.01 0.12 -1.24 120.40 123.40 1s20 s VAL 161 Ca -0.13 -0.01 0.07 0.00 0.00 0.00 0.00 61.98 61.91 1s20 s VAL 161 Cb -0.16 -0.47 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 1s20 s VAL 161 CO 0.07 -0.14 -0.20 0.00 0.00 0.00 0.00 175.10 174.83 1s20 s ALA 162 N 2.13 2.46 -0.08 5.51 0.00 0.10 -0.03 121.76 131.85 1s20 s ALA 162 Ca 0.03 -1.12 0.04 0.00 0.00 0.00 0.00 51.96 50.91 1s20 s ALA 162 Cb -0.15 -0.73 -0.00 0.00 0.00 0.00 0.00 23.12 22.24 1s20 s ALA 162 CO -0.07 0.55 -0.22 0.42 0.00 0.00 0.00 175.76 176.44 1s20 s ILE 163 N -0.77 1.88 -0.17 0.00 -1.09 0.13 -1.72 121.20 119.46 1s20 s ILE 163 Ca 0.12 -0.94 -0.03 0.00 -2.23 0.00 0.00 60.65 57.57 1s20 s ILE 163 Cb -0.10 -1.62 -0.10 0.00 -1.58 0.00 0.00 42.46 39.05 1s20 s ILE 163 CO 0.02 0.52 1.92 -0.81 -1.23 0.00 0.00 174.94 175.36 1s20 n PRO 164 N 3.34 1.09 -2.58 2.79 -0.04 -1.26 -2.84 135.00 135.51 1s20 n PRO 164 Ca -0.19 -0.65 -0.16 0.00 -0.04 0.00 0.00 63.50 62.46 1s20 n PRO 164 Cb 0.53 -1.88 0.06 0.00 -0.04 0.00 0.00 33.50 32.17 1s20 n PRO 164 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1s20 n SER 165 N 3.14 1.67 -3.83 3.54 3.41 -1.26 -4.98 113.62 115.31 1s20 n SER 165 Ca 0.23 -2.23 -0.29 0.00 -0.26 0.00 0.00 58.87 56.32 1s20 n SER 165 Cb 0.35 -0.38 -0.16 0.00 -0.26 0.00 0.00 64.21 63.76 1s20 n SER 165 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1s20 s THR 166 N -2.06 1.02 0.98 6.66 2.01 -1.26 -2.47 115.64 120.52 1s20 s THR 166 Ca 0.51 -0.97 -0.12 0.00 0.31 0.00 0.00 61.69 61.42 1s20 s THR 166 Cb -0.04 -1.46 0.18 0.00 0.01 0.00 0.00 72.50 71.19 1s20 s THR 166 CO 0.33 -0.23 1.10 -2.84 -0.69 0.00 0.00 174.62 172.29 1s20 s PRO 167 N 1.62 0.59 0.19 4.92 0.02 -1.26 -5.04 135.00 136.04 1s20 s PRO 167 Ca -0.02 0.46 -0.32 0.00 0.02 0.00 0.00 61.00 61.14 1s20 s PRO 167 Cb -0.18 -1.76 -0.11 0.00 0.02 0.00 0.00 34.50 32.47 1s20 s PRO 167 CO -0.09 -2.61 1.67 0.42 -0.33 0.00 0.00 177.00 176.06 1s20 s ILE 168 N -3.04 2.27 0.09 2.83 1.01 -1.03 -5.02 121.20 118.32 1s20 s ILE 168 Ca 0.65 0.18 0.02 0.00 0.00 0.00 0.00 60.65 61.50 1s20 s ILE 168 Cb -0.18 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 1s20 s ILE 168 CO 0.57 0.01 0.15 -0.89 0.00 0.00 0.00 174.94 174.78 1s20 s THR 169 N 1.23 4.89 -0.20 2.92 2.01 -1.13 -4.34 115.64 121.03 1s20 s THR 169 Ca 0.73 -0.68 -0.09 0.00 0.31 0.00 0.00 61.69 61.95 1s20 s THR 169 Cb -0.47 -3.41 0.07 0.00 0.01 0.00 0.00 72.50 68.70 1s20 s THR 169 CO 0.32 0.07 0.46 -0.69 -0.69 0.00 0.00 174.62 174.08 1s20 s VAL 171 N -1.52 -0.24 -0.03 3.82 1.01 0.95 0.19 120.40 124.58 1s20 s VAL 171 Ca 0.32 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.42 1s20 s VAL 171 Cb -0.12 -0.69 0.01 0.00 0.00 0.00 0.00 36.38 35.58 1s20 s VAL 171 CO 0.25 0.04 -0.06 -0.62 0.00 0.00 0.00 175.10 174.71 1s20 s ASP 172 N 1.83 1.00 0.00 3.32 2.15 -1.26 -0.70 116.67 123.01 1s20 s ASP 172 Ca -0.07 -0.15 0.00 0.00 0.43 0.00 0.00 52.55 52.76 1s20 s ASP 172 Cb -0.09 -0.36 0.00 0.00 -0.30 0.00 0.00 42.92 42.17 1s20 s ASP 172 CO -0.14 0.01 0.00 -0.24 -0.17 0.00 0.00 175.17 174.63 1s20 n SER 174 N 3.61 0.00 0.00 -0.34 2.88 -1.26 -4.99 113.62 113.52 1s20 n SER 174 Ca -0.21 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.33 1s20 n SER 174 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1s20 n SER 174 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1s20 n SER 176 N 0.00 0.00 -3.08 -3.46 3.41 -1.26 -4.94 113.62 104.29 1s20 n SER 176 Ca 0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.33 1s20 n SER 176 Cb 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 1s20 n SER 176 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1s20 n PHE 178 N 0.30 -3.14 -3.49 7.33 3.01 -1.26 -4.98 117.46 115.22 1s20 n PHE 178 Ca 0.00 0.14 -0.29 0.00 1.01 0.00 0.00 57.45 58.31 1s20 n PHE 178 Cb 0.00 -1.16 -0.04 0.00 -0.01 0.00 0.00 39.48 38.27 1s20 n PHE 178 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1s20 s SER 179 N -0.75 6.45 0.54 4.37 1.04 -1.26 -4.95 113.70 119.14 1s20 s SER 179 Ca 0.36 0.62 0.22 0.00 0.48 0.00 0.00 55.95 57.63 1s20 s SER 179 Cb -0.24 -2.10 1.39 0.00 0.10 0.00 0.00 66.02 65.17 1s20 s SER 179 CO 0.57 -0.11 2.09 1.88 0.98 0.00 0.00 173.24 178.65 1s20 h TYR 180 N 2.01 0.00 0.00 5.02 -1.99 -2.00 -2.29 116.97 117.72 1s20 h TYR 180 Ca -0.47 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.26 1s20 h TYR 180 Cb 1.18 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.91 1s20 h TYR 180 CO 0.58 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 179.15 1s20 n GLY 181 N -1.55 0.27 2.25 3.88 0.00 -1.26 -1.81 105.19 106.97 1s20 n GLY 181 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1s20 n GLY 181 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s20 n LEU 183 N 0.70 0.00 -0.14 0.99 4.77 -0.86 -1.59 117.00 120.87 1s20 n LEU 183 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1s20 n LEU 183 Cb 0.06 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1s20 n LEU 183 CO 0.00 0.00 0.98 -0.08 -1.33 0.00 0.00 177.39 176.96 1s20 h GLU 184 N 0.00 0.58 -0.14 3.23 4.81 -1.64 -0.67 114.58 120.74 1s20 h GLU 184 Ca 0.00 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1s20 h GLU 184 Cb 0.00 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.22 1s20 h GLU 184 CO 0.00 0.48 -0.20 0.28 -0.73 0.00 0.00 179.01 178.84 1s20 h VAL 185 N 0.53 0.49 -0.62 0.32 2.07 -1.58 0.24 116.25 117.71 1s20 h VAL 185 Ca 0.14 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.62 1s20 h VAL 185 Cb 0.08 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1s20 h VAL 185 CO -0.02 0.00 0.19 0.78 0.02 0.00 0.00 177.57 178.54 1s20 h ASN 186 N -0.25 0.87 -0.35 0.57 2.35 -1.82 -1.92 115.58 115.04 1s20 h ASN 186 Ca 0.10 -0.15 -0.05 0.00 -0.55 0.00 0.00 56.30 55.65 1s20 h ASN 186 Cb 0.40 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 1s20 h ASN 186 CO -0.28 0.82 0.01 -0.09 -1.65 0.00 0.00 177.43 176.23 1s20 h ARG 187 N 0.91 0.61 -0.57 0.81 1.12 -0.27 0.64 114.38 117.64 1s20 h ARG 187 Ca 0.20 -0.19 -0.03 0.00 -1.11 0.00 0.00 59.98 58.85 1s20 h ARG 187 Cb 0.26 -0.06 -0.03 0.00 -0.01 0.00 0.00 29.97 30.14 1s20 h ARG 187 CO -0.01 0.72 0.21 -0.07 -3.11 0.00 0.00 179.97 177.72 1s20 h LEU 188 N 0.42 0.75 -0.05 3.80 3.38 -0.41 -1.35 115.31 121.86 1s20 h LEU 188 Ca 0.10 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s20 h LEU 188 Cb 0.44 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1s20 h LEU 188 CO 0.02 0.69 -0.11 0.00 0.09 0.00 0.00 178.44 179.12 1s20 n ALA 189 N -2.45 2.66 -1.90 1.53 0.00 -0.74 -4.92 120.51 114.70 1s20 n ALA 189 Ca 0.05 -0.19 -0.10 0.00 0.00 0.00 0.00 53.44 53.20 1s20 n ALA 189 Cb 0.17 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.22 1s20 n ALA 189 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s20 n GLY 190 N 1.41 0.34 3.93 0.00 0.00 0.76 -5.02 105.19 106.62 1s20 n GLY 190 Ca 0.10 -0.51 -0.21 0.00 0.00 0.00 0.00 46.02 45.40 1s20 n GLY 190 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s20 s ARG 191 N -3.96 3.23 0.12 1.61 0.52 0.19 -4.99 118.95 115.66 1s20 s ARG 191 Ca 0.00 -0.90 0.01 0.00 -0.52 0.00 0.00 55.73 54.32 1s20 s ARG 191 Cb 0.00 -2.78 -0.04 0.00 0.52 0.00 0.00 34.95 32.65 1s20 s ARG 191 CO 0.00 0.34 0.27 -0.65 0.02 0.00 0.00 175.30 175.28 1s20 s GLN 192 N -3.98 3.45 0.33 3.54 -1.52 -1.26 -4.31 119.66 115.90 1s20 s GLN 192 Ca 0.36 -0.52 -0.29 0.00 -1.95 0.00 0.00 55.36 52.96 1s20 s GLN 192 Cb -0.09 -2.98 -0.10 0.00 -0.22 0.00 0.00 33.01 29.62 1s20 s GLN 192 CO 0.28 0.54 1.32 -0.51 -0.25 0.00 0.00 175.29 176.68 1s20 s LEU 193 N -2.99 4.42 0.59 2.90 1.43 -0.60 -4.89 118.68 119.54 1s20 s LEU 193 Ca 0.35 2.71 0.29 0.00 -1.03 0.00 0.00 54.13 56.45 1s20 s LEU 193 Cb -0.12 -3.65 1.64 0.00 0.03 0.00 0.00 46.19 44.10 1s20 s LEU 193 CO 0.28 -0.56 2.07 1.55 0.23 0.00 0.00 176.35 179.93 1s20 h PRO 194 N 3.43 0.00 -3.77 1.29 0.13 -1.97 -3.43 132.00 127.67 1s20 h PRO 194 Ca -0.49 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.55 1s20 h PRO 194 Cb 1.23 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.24 1s20 h PRO 194 CO 0.66 0.00 -0.23 0.14 -0.23 0.00 0.00 178.00 178.33 1s20 s VAL 195 N -4.62 0.04 0.16 1.56 -7.23 -1.26 -5.12 120.40 103.93 1s20 s VAL 195 Ca -0.05 -1.32 -0.34 0.00 -1.81 0.00 0.00 61.98 58.46 1s20 s VAL 195 Cb 0.15 -1.91 -0.15 0.00 0.56 0.00 0.00 36.38 35.03 1s20 s VAL 195 CO 0.54 -0.19 1.38 0.47 -0.31 0.00 0.00 175.10 176.99 1s20 n ASP 196 N -0.27 2.20 0.00 4.85 10.43 -1.26 -4.77 116.55 127.73 1s20 n ASP 196 Ca -0.06 1.12 0.00 0.00 2.57 0.00 0.00 54.79 58.42 1s20 n ASP 196 Cb 0.63 -1.31 0.00 0.00 1.84 0.00 0.00 41.12 42.28 1s20 n ASP 196 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1s20 n GLY 197 N 2.57 -0.30 0.00 0.44 0.00 -0.65 -4.95 105.19 102.30 1s20 n GLY 197 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1s20 n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s20 n GLY 198 N -0.16 -1.26 3.53 -0.02 0.00 -1.18 -0.44 105.19 105.67 1s20 n GLY 198 Ca 0.00 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.71 1s20 n GLY 198 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s20 s PHE 199 N -2.20 2.70 0.32 1.61 0.08 -0.35 0.56 117.98 120.70 1s20 s PHE 199 Ca 0.00 -0.17 -0.02 0.00 0.12 0.00 0.00 56.93 56.86 1s20 s PHE 199 Cb 0.00 -1.49 0.07 0.00 -0.57 0.00 0.00 43.02 41.03 1s20 s PHE 199 CO 0.00 0.34 0.43 -0.40 -0.10 0.00 0.00 175.22 175.50 1s20 n ASP 200 N 1.28 0.35 -0.80 1.36 3.85 -0.08 -4.62 116.55 117.88 1s20 n ASP 200 Ca -0.15 -1.35 0.00 0.00 -0.71 0.00 0.00 54.79 52.58 1s20 n ASP 200 Cb 0.52 -0.30 0.00 0.00 -1.35 0.00 0.00 41.12 39.99 1s20 n ASP 200 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 1s20 n ASP 201 N -3.10 1.51 0.00 -1.12 10.43 -1.26 -2.18 116.55 120.83 1s20 n ASP 201 Ca 0.06 -1.38 0.00 0.00 2.57 0.00 0.00 54.79 56.05 1s20 n ASP 201 Cb 0.23 -0.34 0.00 0.00 1.84 0.00 0.00 41.12 42.84 1s20 n ASP 201 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1s20 n GLU 202 N 0.45 0.00 -1.39 -1.24 -0.58 -1.26 -5.01 120.64 111.61 1s20 n GLU 202 Ca 0.00 -0.38 -0.07 0.00 -0.42 0.00 0.00 57.16 56.29 1s20 n GLU 202 Cb 0.28 -0.49 -0.02 0.00 -0.57 0.00 0.00 31.44 30.63 1s20 n GLU 202 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1s20 n GLY 203 N 0.00 0.75 3.56 0.62 0.00 -0.93 -5.03 105.19 104.16 1s20 n GLY 203 Ca 0.00 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 44.98 1s20 n GLY 203 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s20 s ASN 204 N -2.88 4.67 0.31 1.61 0.01 -1.26 -4.87 114.94 112.53 1s20 s ASN 204 Ca 0.00 -0.05 -0.28 0.00 -0.71 0.00 0.00 52.86 51.82 1s20 s ASN 204 Cb 0.00 -1.33 -0.13 0.00 0.41 0.00 0.00 41.25 40.20 1s20 s ASN 204 CO 0.00 0.32 1.20 0.18 -1.51 0.00 0.00 177.10 177.28 1s20 n LEU 205 N 2.54 2.87 -4.05 0.60 4.77 -1.26 -0.90 117.00 121.57 1s20 n LEU 205 Ca -0.18 1.19 -0.08 0.00 -0.03 0.00 0.00 56.01 56.91 1s20 n LEU 205 Cb 0.53 -1.41 -0.09 0.00 -2.33 0.00 0.00 43.42 40.12 1s20 n LEU 205 CO 0.28 -0.82 -0.26 0.28 -1.33 0.00 0.00 177.39 175.55 1s20 s THR 206 N -0.98 0.16 -0.83 -5.08 -1.32 0.19 -4.79 115.64 102.99 1s20 s THR 206 Ca 0.58 -1.67 0.08 0.00 -1.21 0.00 0.00 61.69 59.47 1s20 s THR 206 Cb -0.63 -1.65 0.01 0.00 -1.51 0.00 0.00 72.50 68.73 1s20 s THR 206 CO 0.60 -0.73 0.62 0.29 -2.21 0.00 0.00 174.62 173.19 1s20 n LYS 207 N -0.01 1.71 -2.57 7.08 5.02 -1.26 -1.63 118.16 126.50 1s20 n LYS 207 Ca -0.11 -0.66 -0.43 0.00 -2.02 0.00 0.00 58.31 55.09 1s20 n LYS 207 Cb 0.62 -1.06 -0.02 0.00 -0.02 0.00 0.00 35.03 34.55 1s20 n LYS 207 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1s20 s GLU 208 N -1.08 4.16 0.07 1.97 2.56 -1.26 -1.55 118.70 123.57 1s20 s GLU 208 Ca 0.08 1.34 -0.26 0.00 0.00 0.00 0.00 54.97 56.12 1s20 s GLU 208 Cb 0.07 -3.72 -0.17 0.00 2.00 0.00 0.00 34.13 32.31 1s20 s GLU 208 CO 0.18 -0.78 1.61 -1.35 -0.56 0.00 0.00 175.26 174.37 1s20 h PRO 209 N 8.00 -0.27 -0.85 4.30 0.11 -1.87 -3.13 132.00 138.30 1s20 h PRO 209 Ca -0.22 0.02 0.15 0.00 0.11 0.00 0.00 66.00 66.06 1s20 h PRO 209 Cb 1.07 0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 1s20 h PRO 209 CO 1.00 -0.11 0.56 0.78 -0.21 0.00 0.00 178.00 180.01 1s20 h GLY 210 N -0.36 1.01 1.00 -0.55 0.00 -1.92 0.93 103.07 103.17 1s20 h GLY 210 Ca -0.03 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 1s20 h GLY 210 CO 0.05 0.07 0.14 -2.08 0.00 0.00 0.00 176.54 174.71 1s20 h VAL 211 N 0.57 1.24 -0.29 4.60 2.07 -1.95 -2.05 116.25 120.44 1s20 h VAL 211 Ca 0.43 -0.86 -0.18 0.00 0.82 0.00 0.00 66.70 66.90 1s20 h VAL 211 Cb 0.82 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1s20 h VAL 211 CO -0.18 0.32 -0.54 0.40 0.02 0.00 0.00 177.57 177.59 1s20 h ILE 212 N 0.78 1.27 0.00 4.57 2.04 -1.05 -2.65 117.51 122.47 1s20 h ILE 212 Ca 0.17 -1.72 -0.03 0.00 1.00 0.00 0.00 64.86 64.28 1s20 h ILE 212 Cb 0.33 1.62 -0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1s20 h ILE 212 CO 0.00 0.56 -0.12 -0.33 0.00 0.00 0.00 178.15 178.26 1s20 h GLU 213 N 0.67 0.00 0.00 2.37 5.08 -0.77 0.28 114.58 122.21 1s20 h GLU 213 Ca 0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1s20 h GLU 213 Cb 1.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 1s20 h GLU 213 CO 0.12 0.12 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.03 1s20 h LYS 214 N 0.00 0.00 -0.00 2.33 3.64 -1.23 -3.37 116.57 117.94 1s20 h LYS 214 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1s20 h LYS 214 Cb 0.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1s20 h LYS 214 CO 0.02 0.45 -0.24 0.27 -2.27 0.00 0.00 179.45 177.68 1s20 n ASN 215 N -4.70 0.46 -1.94 4.20 0.23 -1.01 -4.94 115.26 107.55 1s20 n ASN 215 Ca -0.05 -0.29 -0.20 0.00 -0.53 0.00 0.00 54.58 53.52 1s20 n ASN 215 Cb 0.22 -0.02 -0.05 0.00 -2.08 0.00 0.00 39.78 37.84 1s20 n ASN 215 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1s20 n ARG 216 N -1.20 -1.58 -2.09 -3.83 5.12 0.97 -4.89 116.66 109.16 1s20 n ARG 216 Ca 0.10 1.08 -0.39 0.00 -1.93 0.00 0.00 57.85 56.70 1s20 n ARG 216 Cb 0.32 -5.58 -0.00 0.00 -1.16 0.00 0.00 32.46 26.04 1s20 n ARG 216 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1s20 n ARG 217 N -2.61 4.63 -2.15 5.56 1.74 -1.24 -4.56 116.66 118.02 1s20 n ARG 217 Ca -0.22 -3.63 -0.41 0.00 -0.77 0.00 0.00 57.85 52.82 1s20 n ARG 217 Cb 0.66 -2.57 -0.03 0.00 -1.02 0.00 0.00 32.46 29.51 1s20 n ARG 217 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1s20 s ILE 218 N -1.87 3.03 0.07 0.55 2.07 -1.26 -1.21 121.20 122.58 1s20 s ILE 218 Ca 0.52 0.85 -0.31 0.00 -1.41 0.00 0.00 60.65 60.30 1s20 s ILE 218 Cb 0.20 -3.54 -0.06 0.00 0.13 0.00 0.00 42.46 39.19 1s20 s ILE 218 CO -0.11 0.13 1.23 -0.22 -1.91 0.00 0.00 174.94 174.06 1s20 s LEU 219 N -0.15 4.37 0.00 8.50 2.96 0.42 -4.58 118.68 130.20 1s20 s LEU 219 Ca 0.58 2.06 0.00 0.00 -0.22 0.00 0.00 54.13 56.55 1s20 s LEU 219 Cb -0.38 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.73 1s20 s LEU 219 CO 0.39 -0.51 0.00 -2.65 -1.32 0.00 0.00 176.35 172.27 1s20 n PRO 220 N 3.99 0.00 0.00 0.98 -0.02 -1.26 -4.41 135.00 134.27 1s20 n PRO 220 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1s20 n PRO 220 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.94 1s20 n PRO 220 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s20 n GLY 222 N 2.84 0.00 7.00 -1.23 0.00 -1.26 -4.81 105.19 107.73 1s20 n GLY 222 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1s20 n GLY 222 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1s20 n TYR 223 N 0.00 0.00 0.02 1.61 4.01 -1.26 -0.90 117.16 120.64 1s20 n TYR 223 Ca 0.00 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.90 1s20 n TYR 223 Cb 0.00 0.00 0.64 0.00 -0.31 0.00 0.00 39.34 39.67 1s20 n TYR 223 CO 0.00 0.00 0.00 0.11 -0.46 0.00 0.00 176.86 176.51 1s20 h TRP 224 N 0.00 0.11 -0.42 -0.72 0.09 -1.98 -2.02 115.95 111.01 1s20 h TRP 224 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 58.89 58.93 1s20 h TRP 224 Cb 0.00 -0.03 -0.02 0.00 0.08 0.00 0.00 29.16 29.19 1s20 h TRP 224 CO 0.00 0.05 0.06 0.87 0.09 0.00 0.00 178.44 179.51 1s20 h LYS 225 N 0.10 0.70 -0.38 0.12 1.57 -1.41 -1.24 116.57 116.03 1s20 h LYS 225 Ca 0.22 -0.19 -0.12 0.00 -1.87 0.00 0.00 60.65 58.69 1s20 h LYS 225 Cb 0.73 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1s20 h LYS 225 CO -0.02 0.74 -0.25 0.78 -0.57 0.00 0.00 179.45 180.13 1s20 h GLY 226 N 0.56 0.84 0.94 3.86 0.00 -1.49 -3.04 103.07 104.74 1s20 h GLY 226 Ca 0.13 -0.74 -0.00 0.00 0.00 0.00 0.00 47.33 46.71 1s20 h GLY 226 CO 0.01 0.67 -0.05 0.23 0.00 0.00 0.00 176.54 177.41 1s20 h SER 227 N 0.67 -0.11 0.00 0.19 0.87 -1.32 -1.07 113.55 112.77 1s20 h SER 227 Ca 0.09 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1s20 h SER 227 Cb 0.77 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 1s20 h SER 227 CO 0.06 -0.02 0.00 0.61 -0.53 0.00 0.00 176.83 176.95 1s20 n GLY 228 N -0.97 0.00 2.62 5.77 0.00 -0.48 -2.23 105.19 109.90 1s20 n GLY 228 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1s20 n GLY 228 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1s20 n SER 230 N 0.63 0.00 -0.07 1.61 2.88 -0.41 -2.02 113.62 116.24 1s20 n SER 230 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 1s20 n SER 230 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1s20 n SER 230 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1s20 h ILE 231 N 0.00 1.06 -0.02 2.46 2.04 -1.72 -2.07 117.51 119.26 1s20 h ILE 231 Ca 0.00 -0.12 -0.08 0.00 1.00 0.00 0.00 64.86 65.67 1s20 h ILE 231 Cb 0.00 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1s20 h ILE 231 CO 0.00 0.06 -0.36 -0.37 0.00 0.00 0.00 178.15 177.48 1s20 h VAL 232 N 0.34 1.26 -0.08 1.67 -1.51 -1.70 -2.59 116.25 113.65 1s20 h VAL 232 Ca 0.10 -1.25 -0.16 0.00 -1.23 0.00 0.00 66.70 64.15 1s20 h VAL 232 Cb -0.03 1.65 -0.01 0.00 -2.13 0.00 0.00 31.29 30.77 1s20 h VAL 232 CO -0.03 0.36 -0.65 -0.07 -1.23 0.00 0.00 177.57 175.95 1s20 h LEU 233 N 0.03 0.37 -1.57 4.19 3.38 -1.77 -2.34 115.31 117.60 1s20 h LEU 233 Ca 0.00 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1s20 h LEU 233 Cb 0.65 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1s20 h LEU 233 CO 0.05 0.92 0.00 -0.67 0.09 0.00 0.00 178.44 178.83 1s20 n ASP 234 N -3.86 0.79 0.00 -0.43 2.03 -0.80 -1.54 116.55 112.74 1s20 n ASP 234 Ca -0.03 -0.74 0.00 0.00 0.52 0.00 0.00 54.79 54.54 1s20 n ASP 234 Cb 0.65 -0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 1s20 n ASP 234 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1s20 n ILE 236 N 0.60 0.00 -0.07 5.18 5.41 -0.88 -0.49 119.36 129.10 1s20 n ILE 236 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.74 1s20 n ILE 236 Cb 0.14 0.00 0.27 0.00 -0.71 0.00 0.00 39.64 39.34 1s20 n ILE 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1s20 h ALA 237 N 0.00 1.36 -0.13 -1.39 0.00 -1.55 -1.94 119.26 115.61 1s20 h ALA 237 Ca 0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 1s20 h ALA 237 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1s20 h ALA 237 CO 0.00 0.46 -0.38 1.15 0.00 0.00 0.00 179.25 180.49 1s20 h THR 238 N 0.68 1.37 0.32 0.00 2.02 -1.04 -3.18 112.91 113.08 1s20 h THR 238 Ca 0.16 -1.67 -0.02 0.00 0.77 0.00 0.00 66.41 65.65 1s20 h THR 238 Cb 0.22 2.08 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 1s20 h THR 238 CO -0.01 0.50 -0.15 -0.07 0.37 0.00 0.00 175.52 176.16 1s20 h LEU 239 N 0.09 -0.36 -1.90 2.58 3.38 -1.77 0.74 115.31 118.07 1s20 h LEU 239 Ca -0.01 0.01 0.26 0.00 0.09 0.00 0.00 57.88 58.24 1s20 h LEU 239 Cb 0.99 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 1s20 h LEU 239 CO 0.08 -0.21 0.66 -0.07 0.09 0.00 0.00 178.44 178.99 1s20 h LEU 240 N -0.51 0.07 -0.95 1.67 4.07 -1.51 0.24 115.31 118.39 1s20 h LEU 240 Ca -0.04 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1s20 h LEU 240 Cb 0.33 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.06 1s20 h LEU 240 CO 0.07 0.02 -0.37 -1.54 -1.08 0.00 0.00 178.44 175.54 1s20 n SER 241 N -4.31 1.80 -4.15 -0.43 3.41 -1.20 -4.74 113.62 104.00 1s20 n SER 241 Ca 0.20 -1.40 -0.33 0.00 -0.26 0.00 0.00 58.87 57.07 1s20 n SER 241 Cb 0.96 0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 65.34 1s20 n SER 241 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1s20 n ASP 242 N -0.05 -2.54 0.00 4.04 -0.08 0.86 -4.59 116.55 114.19 1s20 n ASP 242 Ca 0.08 -1.01 0.00 0.00 -1.51 0.00 0.00 54.79 52.35 1s20 n ASP 242 Cb 0.39 -2.84 0.00 0.00 2.34 0.00 0.00 41.12 41.01 1s20 n ASP 242 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1s20 n GLY 243 N -1.59 4.18 3.79 0.27 0.00 -0.54 -5.02 105.19 106.28 1s20 n GLY 243 Ca -0.03 -1.98 -0.39 0.00 0.00 0.00 0.00 46.02 43.62 1s20 n GLY 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s20 s ALA 244 N -2.17 3.55 0.70 4.61 0.00 -1.26 -4.84 121.76 122.35 1s20 s ALA 244 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 51.96 51.92 1s20 s ALA 244 Cb 0.00 -2.65 0.08 0.00 0.00 0.00 0.00 23.12 20.55 1s20 s ALA 244 CO 0.00 0.28 0.52 -1.13 0.00 0.00 0.00 175.76 175.43 1s20 n SER 245 N 2.30 0.45 -0.12 0.00 3.41 -1.26 -3.97 113.62 114.43 1s20 n SER 245 Ca -0.09 -1.44 -0.09 0.00 -0.26 0.00 0.00 58.87 56.99 1s20 n SER 245 Cb 0.51 -0.36 -0.01 0.00 -0.26 0.00 0.00 64.21 64.09 1s20 n SER 245 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1s20 h VAL 246 N -0.77 1.16 -0.34 -3.33 2.07 -1.91 -1.48 116.25 111.63 1s20 h VAL 246 Ca -0.17 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 1s20 h VAL 246 Cb 0.57 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1s20 h VAL 246 CO 0.16 0.17 0.21 0.00 0.02 0.00 0.00 177.57 178.12 1s20 h ALA 247 N 1.04 0.44 -0.04 1.67 0.00 -1.87 -1.18 119.26 119.32 1s20 h ALA 247 Ca 0.13 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1s20 h ALA 247 Cb 0.09 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1s20 h ALA 247 CO -0.02 -0.06 0.02 1.49 0.00 0.00 0.00 179.25 180.68 1s20 h GLU 248 N 0.44 0.05 -0.74 0.00 4.81 -1.87 -1.65 114.58 115.62 1s20 h GLU 248 Ca 0.12 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1s20 h GLU 248 Cb 0.01 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1s20 h GLU 248 CO -0.02 0.12 0.31 0.28 -0.73 0.00 0.00 179.01 178.97 1s20 h VAL 249 N -0.03 1.25 -0.59 0.32 2.07 -1.23 0.11 116.25 118.15 1s20 h VAL 249 Ca 0.01 -0.77 -0.10 0.00 0.82 0.00 0.00 66.70 66.67 1s20 h VAL 249 Cb 0.09 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1s20 h VAL 249 CO -0.00 0.31 -0.01 0.74 0.02 0.00 0.00 177.57 178.63 1s20 h THR 250 N 1.07 1.27 0.00 2.57 2.02 -1.10 -2.48 112.91 116.25 1s20 h THR 250 Ca 0.25 -1.16 -0.30 0.00 0.77 0.00 0.00 66.41 65.96 1s20 h THR 250 Cb 0.19 0.83 -0.06 0.00 -1.74 0.00 0.00 68.15 67.38 1s20 h THR 250 CO -0.02 0.42 -2.04 0.00 0.37 0.00 0.00 175.52 174.25 1s20 n GLN 251 N -4.19 0.66 0.04 6.66 6.02 -0.63 -4.52 117.38 121.41 1s20 n GLN 251 Ca 0.03 0.11 0.11 0.00 -0.01 0.00 0.00 57.00 57.24 1s20 n GLN 251 Cb 0.35 -1.64 -0.10 0.00 1.02 0.00 0.00 30.24 29.87 1s20 n GLN 251 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1s20 n ASP 252 N -2.84 0.37 -4.85 1.08 10.43 0.39 -4.97 116.55 116.17 1s20 n ASP 252 Ca -0.24 0.13 -0.22 0.00 2.57 0.00 0.00 54.79 57.04 1s20 n ASP 252 Cb 1.06 1.32 -0.04 0.00 1.84 0.00 0.00 41.12 45.31 1s20 n ASP 252 CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 1s20 s ASN 253 N -4.87 5.58 0.21 -2.24 -0.87 -0.93 -5.03 114.94 106.78 1s20 s ASN 253 Ca -0.05 -0.26 0.11 0.00 -1.57 0.00 0.00 52.86 51.09 1s20 s ASN 253 Cb 0.12 -1.37 0.03 0.00 -0.02 0.00 0.00 41.25 40.02 1s20 s ASN 253 CO 0.86 -0.11 1.41 0.28 -2.57 0.00 0.00 177.10 176.97 1s20 h SER 254 N 1.39 0.00 -0.06 -1.22 0.02 -1.92 -3.45 113.55 108.31 1s20 h SER 254 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1s20 h SER 254 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1s20 h SER 254 CO 0.60 0.75 0.00 -0.67 -1.14 0.00 0.00 176.83 176.37 1s20 n ASP 255 N -3.40 0.00 -4.47 3.07 -0.08 -1.26 -5.10 116.55 105.31 1s20 n ASP 255 Ca 0.00 -0.05 -0.43 0.00 -1.51 0.00 0.00 54.79 52.81 1s20 n ASP 255 Cb 0.80 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 44.23 1s20 n ASP 255 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1s20 s GLU 256 N 0.86 3.45 0.21 -0.67 2.12 -1.26 -4.85 118.70 118.55 1s20 s GLU 256 Ca 0.00 -1.34 -0.22 0.00 0.36 0.00 0.00 54.97 53.77 1s20 s GLU 256 Cb 0.00 -4.78 0.05 0.00 0.26 0.00 0.00 34.13 29.66 1s20 s GLU 256 CO 0.00 -1.88 0.68 1.52 -0.54 0.00 0.00 175.26 175.04 1s20 s TYR 257 N 3.58 -0.36 -0.19 5.30 1.13 -1.26 -4.52 117.35 121.02 1s20 s TYR 257 Ca 0.32 0.04 0.00 0.00 -1.41 0.00 0.00 57.07 56.02 1s20 s TYR 257 Cb -0.07 0.63 0.00 0.00 -1.10 0.00 0.00 41.96 41.42 1s20 s TYR 257 CO -0.03 -1.02 0.00 0.41 -2.51 0.00 0.00 175.55 172.40 1s20 n GLY 258 N -0.41 0.54 3.68 5.49 0.00 0.11 -4.91 105.19 109.68 1s20 n GLY 258 Ca -0.11 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 1s20 n GLY 258 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1s20 s ILE 259 N -2.01 1.77 -0.04 -0.61 -4.36 0.09 -3.70 121.20 112.35 1s20 s ILE 259 Ca 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 60.65 60.45 1s20 s ILE 259 Cb 0.00 -2.61 -0.02 0.00 1.25 0.00 0.00 42.46 41.08 1s20 s ILE 259 CO 0.00 0.00 -0.20 -0.44 0.24 0.00 0.00 174.94 174.54 1s20 s SER 260 N -4.02 3.58 0.05 4.36 0.01 -1.26 -1.08 113.70 115.35 1s20 s SER 260 Ca 0.70 -0.32 0.02 0.00 1.31 0.00 0.00 55.95 57.66 1s20 s SER 260 Cb -0.11 -0.62 -0.02 0.00 0.21 0.00 0.00 66.02 65.48 1s20 s SER 260 CO 0.55 0.33 -0.08 -1.10 0.41 0.00 0.00 173.24 173.35 1s20 s GLN 261 N -0.67 0.56 -0.07 12.44 -0.21 -0.06 -1.66 119.66 129.98 1s20 s GLN 261 Ca 0.11 -0.78 0.03 0.00 0.02 0.00 0.00 55.36 54.74 1s20 s GLN 261 Cb -0.10 -0.34 0.01 0.00 1.00 0.00 0.00 33.01 33.57 1s20 s GLN 261 CO -0.00 0.06 -0.17 0.42 -2.12 0.00 0.00 175.29 173.48 1s20 s ILE 262 N -1.39 1.49 -0.09 1.08 -1.09 0.21 -0.49 121.20 120.93 1s20 s ILE 262 Ca -0.09 -0.70 0.04 0.00 -2.23 0.00 0.00 60.65 57.67 1s20 s ILE 262 Cb -0.10 -1.32 0.00 0.00 -1.58 0.00 0.00 42.46 39.46 1s20 s ILE 262 CO 0.01 0.43 -0.22 -0.36 -1.23 0.00 0.00 174.94 173.57 1s20 s PHE 263 N 0.47 2.34 -0.02 3.97 0.08 0.01 -1.81 117.98 123.02 1s20 s PHE 263 Ca -0.15 -0.93 0.03 0.00 0.12 0.00 0.00 56.93 56.00 1s20 s PHE 263 Cb -0.16 -1.58 -0.00 0.00 -0.57 0.00 0.00 43.02 40.71 1s20 s PHE 263 CO 0.05 -0.38 -0.10 0.42 -0.10 0.00 0.00 175.22 175.11 1s20 s ILE 264 N 0.37 0.87 -0.03 0.64 1.01 0.75 -0.05 121.20 124.77 1s20 s ILE 264 Ca -0.17 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.08 1s20 s ILE 264 Cb -0.17 -0.76 0.01 0.00 0.01 0.00 0.00 42.46 41.54 1s20 s ILE 264 CO 0.08 0.26 -0.10 0.00 0.00 0.00 0.00 174.94 175.18 1s20 s ALA 265 N 0.07 0.94 -0.10 9.38 0.00 -0.25 -1.64 121.76 130.16 1s20 s ALA 265 Ca -0.01 -0.35 0.02 0.00 0.00 0.00 0.00 51.96 51.62 1s20 s ALA 265 Cb -0.08 -0.37 0.01 0.00 0.00 0.00 0.00 23.12 22.69 1s20 s ALA 265 CO 0.00 0.14 -0.15 0.42 0.00 0.00 0.00 175.76 176.17 1s20 s ILE 266 N 0.28 1.44 0.58 0.00 1.01 -0.03 -0.89 121.20 123.58 1s20 s ILE 266 Ca -0.05 -0.61 -0.18 0.00 0.00 0.00 0.00 60.65 59.80 1s20 s ILE 266 Cb -0.10 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 1s20 s ILE 266 CO 0.01 0.43 1.14 -0.70 0.00 0.00 0.00 174.94 175.82 1s20 s GLU 267 N 0.92 3.14 0.00 2.79 2.12 -0.24 -0.54 118.70 126.90 1s20 s GLU 267 Ca -0.08 1.61 0.00 0.00 0.36 0.00 0.00 54.97 56.85 1s20 s GLU 267 Cb -0.15 -1.98 0.00 0.00 0.26 0.00 0.00 34.13 32.26 1s20 s GLU 267 CO -0.00 -1.02 0.00 0.28 -0.54 0.00 0.00 175.26 173.98 1s20 n VAL 268 N -1.62 0.00 0.12 3.70 0.31 -1.26 -4.83 118.33 114.75 1s20 n VAL 268 Ca 0.12 0.00 0.20 0.00 -0.01 0.00 0.00 64.34 64.64 1s20 n VAL 268 Cb 0.51 -1.14 0.76 0.00 -0.91 0.00 0.00 33.84 33.06 1s20 n VAL 268 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1s20 h ASP 269 N 0.00 0.00 0.09 4.52 3.32 -1.83 0.97 116.42 123.50 1s20 h ASP 269 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1s20 h ASP 269 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.25 1s20 h ASP 269 CO 0.00 0.00 -0.08 0.29 -1.72 0.00 0.00 179.24 177.73 1s20 n LYS 270 N -3.66 1.29 -0.00 3.56 5.02 -1.26 -3.92 118.16 119.19 1s20 n LYS 270 Ca 0.06 -0.69 0.02 0.00 -2.02 0.00 0.00 58.31 55.68 1s20 n LYS 270 Cb 0.57 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.06 1s20 n LYS 270 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1s20 n LEU 271 N -0.25 0.15 -3.64 -0.35 4.77 0.30 -5.00 117.00 112.97 1s20 n LEU 271 Ca 0.17 -0.33 -0.08 0.00 -0.03 0.00 0.00 56.01 55.75 1s20 n LEU 271 Cb 0.33 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.35 1s20 n LEU 271 CO 0.20 0.04 0.41 -0.51 -1.33 0.00 0.00 177.39 176.20 1s20 s ILE 272 N -1.77 0.00 0.60 -0.08 2.07 -0.95 -5.13 121.20 115.93 1s20 s ILE 272 Ca 0.01 0.00 -0.18 0.00 -1.41 0.00 0.00 60.65 59.07 1s20 s ILE 272 Cb 0.04 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.59 1s20 s ILE 272 CO 0.21 0.00 1.13 1.51 -1.91 0.00 0.00 174.94 175.87 1s20 s ASP 273 N 1.33 5.41 0.21 4.50 1.47 -1.26 -4.26 116.67 124.07 1s20 s ASP 273 Ca -0.08 2.13 -0.16 0.00 1.18 0.00 0.00 52.55 55.61 1s20 s ASP 273 Cb -0.05 -2.57 0.21 0.00 -0.34 0.00 0.00 42.92 40.17 1s20 s ASP 273 CO -0.15 -1.43 1.59 1.23 0.68 0.00 0.00 175.17 177.09 1s20 h GLY 274 N 0.68 0.20 0.47 2.12 0.00 -1.97 -0.14 103.07 104.43 1s20 h GLY 274 Ca -0.49 0.35 0.05 0.00 0.00 0.00 0.00 47.33 47.24 1s20 h GLY 274 CO 0.55 -0.24 -0.10 -2.55 0.00 0.00 0.00 176.54 174.21 1s20 h PRO 275 N -0.08 -0.06 -0.57 4.80 0.11 -1.99 -1.22 132.00 132.98 1s20 h PRO 275 Ca 0.30 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.31 1s20 h PRO 275 Cb 0.55 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.65 1s20 h PRO 275 CO -0.74 -0.04 -0.02 1.15 -0.21 0.00 0.00 178.00 178.14 1s20 h THR 276 N -0.06 1.27 -0.74 -1.15 2.02 -1.78 -1.03 112.91 111.42 1s20 h THR 276 Ca 0.12 -1.17 -0.02 0.00 0.77 0.00 0.00 66.41 66.11 1s20 h THR 276 Cb 0.24 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 1s20 h THR 276 CO -0.26 0.42 0.40 -0.09 0.37 0.00 0.00 175.52 176.35 1s20 h ARG 277 N 0.92 1.05 -0.18 6.66 1.12 -0.78 0.07 114.38 123.24 1s20 h ARG 277 Ca 0.16 -0.13 -0.19 0.00 -1.11 0.00 0.00 59.98 58.71 1s20 h ARG 277 Cb 0.58 -0.20 -0.00 0.00 -0.01 0.00 0.00 29.97 30.34 1s20 h ARG 277 CO 0.03 0.79 -0.64 -0.44 -3.11 0.00 0.00 179.97 176.60 1s20 h ASP 278 N 1.03 0.73 -0.09 -3.80 3.45 -1.07 -2.36 116.42 114.32 1s20 h ASP 278 Ca 0.26 -0.43 -0.05 0.00 0.43 0.00 0.00 57.03 57.24 1s20 h ASP 278 Cb 0.06 -0.21 -0.00 0.00 -0.56 0.00 0.00 39.33 38.61 1s20 h ASP 278 CO -0.04 1.19 -0.13 0.00 -1.57 0.00 0.00 179.24 178.69 1s20 h ALA 279 N 0.81 0.13 -0.48 3.45 0.00 -0.96 -1.23 119.26 120.99 1s20 h ALA 279 Ca -0.01 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 1s20 h ALA 279 Cb 1.22 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1s20 h ALA 279 CO 0.12 0.01 -0.04 0.87 0.00 0.00 0.00 179.25 180.21 1s20 h LYS 280 N -0.20 0.82 -0.46 0.00 1.57 -1.06 -1.62 116.57 115.61 1s20 h LYS 280 Ca 0.01 -0.25 -0.07 0.00 -1.87 0.00 0.00 60.65 58.47 1s20 h LYS 280 Cb 0.68 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 1s20 h LYS 280 CO 0.03 0.85 0.01 -0.07 -0.57 0.00 0.00 179.45 179.71 1s20 h LEU 281 N 0.76 0.79 -1.08 2.94 4.07 -1.46 -2.51 115.31 118.81 1s20 h LEU 281 Ca 0.14 -0.30 -0.05 0.00 0.08 0.00 0.00 57.88 57.75 1s20 h LEU 281 Cb 0.52 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 42.02 1s20 h LEU 281 CO 0.03 0.89 0.14 -0.61 -1.08 0.00 0.00 178.44 177.81 1s20 h GLN 282 N 0.66 0.79 -0.73 1.13 5.75 -0.91 -2.71 115.11 119.09 1s20 h GLN 282 Ca 0.13 -0.15 -0.05 0.00 -0.15 0.00 0.00 58.65 58.43 1s20 h GLN 282 Cb 0.48 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.87 1s20 h GLN 282 CO 0.02 0.71 0.26 -0.09 -2.65 0.00 0.00 178.83 177.08 1s20 h ARG 283 N 0.77 1.10 -0.42 1.69 2.43 -1.03 -0.40 114.38 118.52 1s20 h ARG 283 Ca 0.17 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1s20 h ARG 283 Cb 0.26 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1s20 h ARG 283 CO -0.00 0.91 0.00 -0.89 -1.51 0.00 0.00 179.97 178.48 1s20 n ILE 284 N -4.27 0.00 0.00 1.20 5.41 -0.97 -1.92 119.36 118.81 1s20 n ILE 284 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.81 1s20 n ILE 284 Cb 0.20 -0.22 0.00 0.00 -0.71 0.00 0.00 39.64 38.91 1s20 n ILE 284 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1s20 n ASP 286 N 0.26 0.00 -0.02 4.38 8.00 -0.16 -2.41 116.55 126.60 1s20 n ASP 286 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.46 1s20 n ASP 286 Cb 0.10 0.00 0.19 0.00 -0.02 0.00 0.00 41.12 41.39 1s20 n ASP 286 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1s20 h TYR 287 N 0.00 0.63 -0.02 1.24 -0.00 -1.61 0.88 116.97 118.09 1s20 h TYR 287 Ca 0.00 -0.12 -0.05 0.00 -0.00 0.00 0.00 58.73 58.56 1s20 h TYR 287 Cb 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 36.73 36.57 1s20 h TYR 287 CO 0.00 0.72 -0.17 0.28 -0.00 0.00 0.00 178.16 178.99 1s20 h VAL 288 N 0.52 1.51 -0.21 1.81 2.07 -1.76 -3.30 116.25 116.88 1s20 h VAL 288 Ca 0.08 -1.74 -0.16 0.00 0.82 0.00 0.00 66.70 65.71 1s20 h VAL 288 Cb 0.61 2.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 1s20 h VAL 288 CO 0.04 0.47 -0.52 0.71 0.02 0.00 0.00 177.57 178.30 1s20 h THR 289 N -0.47 1.31 0.00 2.57 1.35 -1.84 -3.08 112.91 112.76 1s20 h THR 289 Ca -0.01 -1.75 0.00 0.00 -0.55 0.00 0.00 66.41 64.10 1s20 h THR 289 Cb 0.86 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 1s20 h THR 289 CO 0.03 0.55 0.00 -1.54 -0.25 0.00 0.00 175.52 174.31 1s20 n SER 290 N -3.98 0.00 -4.78 5.36 3.41 0.30 -4.74 113.62 109.20 1s20 n SER 290 Ca -0.03 -1.28 -0.31 0.00 -0.26 0.00 0.00 58.87 56.99 1s20 n SER 290 Cb 0.59 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.62 1s20 n SER 290 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s20 s ALA 291 N -2.00 2.36 0.07 7.33 0.00 -1.16 -4.94 121.76 123.41 1s20 s ALA 291 Ca 0.27 0.28 -0.31 0.00 0.00 0.00 0.00 51.96 52.21 1s20 s ALA 291 Cb 0.12 -3.27 -0.08 0.00 0.00 0.00 0.00 23.12 19.90 1s20 s ALA 291 CO 0.21 -1.60 1.52 -1.21 0.00 0.00 0.00 175.76 174.68 1s20 s GLU 292 N -4.79 4.25 0.65 0.00 0.41 -1.26 -4.98 118.70 112.97 1s20 s GLU 292 Ca 0.62 2.19 -0.13 0.00 -0.41 0.00 0.00 54.97 57.23 1s20 s GLU 292 Cb -0.17 -3.46 -0.01 0.00 -1.78 0.00 0.00 34.13 28.71 1s20 s GLU 292 CO 0.53 -0.62 1.06 1.03 -0.49 0.00 0.00 175.26 176.78 1s20 s ARG 293 N 2.06 3.09 0.19 1.61 0.52 -1.26 -4.95 118.95 120.22 1s20 s ARG 293 Ca 0.69 1.11 0.23 0.00 -0.52 0.00 0.00 55.73 57.24 1s20 s ARG 293 Cb -0.37 -2.01 0.14 0.00 0.52 0.00 0.00 34.95 33.23 1s20 s ARG 293 CO 0.30 -0.98 1.18 0.00 0.02 0.00 0.00 175.30 175.82 1s20 h ALA 294 N -0.12 0.56 -2.48 2.13 0.00 -1.94 -3.41 119.26 114.00 1s20 h ALA 294 Ca -0.45 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.08 1s20 h ALA 294 Cb 1.22 0.00 -0.36 0.00 0.00 0.00 0.00 17.79 18.65 1s20 h ALA 294 CO 0.57 0.00 -0.67 0.34 0.00 0.00 0.00 179.25 179.49 1s20 s ASP 295 N -5.02 1.98 0.62 0.00 -1.08 -1.26 -5.02 116.67 106.90 1s20 s ASP 295 Ca 0.02 -0.65 0.27 0.00 -0.52 0.00 0.00 52.55 51.67 1s20 s ASP 295 Cb 0.11 0.24 1.37 0.00 -1.46 0.00 0.00 42.92 43.18 1s20 s ASP 295 CO 0.76 -0.37 1.79 -0.08 0.52 0.00 0.00 175.17 177.78 1s20 h GLU 296 N 8.32 0.00 0.16 4.34 4.57 -2.00 0.79 114.58 130.76 1s20 h GLU 296 Ca -0.16 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 57.71 1s20 h GLU 296 Cb 1.10 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.70 1s20 h GLU 296 CO 0.33 0.00 -1.43 -0.91 -1.18 0.00 0.00 179.01 175.82 1s20 h ASN 297 N 0.00 0.54 -3.66 1.04 -0.26 -1.98 -3.44 115.58 107.82 1s20 h ASN 297 Ca 0.15 -0.63 -0.63 0.00 -0.56 0.00 0.00 56.30 54.62 1s20 h ASN 297 Cb 1.21 -0.18 -0.14 0.00 -1.06 0.00 0.00 38.32 38.15 1s20 h ASN 297 CO -0.00 1.51 -0.13 -1.58 -1.06 0.00 0.00 177.43 176.17 1s20 s GLN 298 N -2.62 3.98 0.54 0.81 2.00 0.27 -5.07 119.66 119.57 1s20 s GLN 298 Ca -0.08 0.11 -0.13 0.00 -2.00 0.00 0.00 55.36 53.27 1s20 s GLN 298 Cb 0.06 -3.68 -0.06 0.00 0.80 0.00 0.00 33.01 30.14 1s20 s GLN 298 CO 0.89 -0.35 0.96 0.00 -0.50 0.00 0.00 175.29 176.28 1s20 s ALA 299 N 2.20 3.14 0.18 1.58 0.00 -1.26 -4.51 121.76 123.09 1s20 s ALA 299 Ca 0.18 -0.04 -0.30 0.00 0.00 0.00 0.00 51.96 51.80 1s20 s ALA 299 Cb -0.16 -3.01 -0.07 0.00 0.00 0.00 0.00 23.12 19.88 1s20 s ALA 299 CO 0.10 -0.40 1.03 0.42 0.00 0.00 0.00 175.76 176.91 1s20 s ILE 300 N -2.83 4.05 -0.00 0.00 1.01 -1.26 -5.05 121.20 117.12 1s20 s ILE 300 Ca 0.55 1.81 0.07 0.00 0.00 0.00 0.00 60.65 63.09 1s20 s ILE 300 Cb -0.10 -4.16 -0.02 0.00 0.01 0.00 0.00 42.46 38.19 1s20 s ILE 300 CO 0.42 0.33 -0.23 0.00 0.00 0.00 0.00 174.94 175.46 1s20 s ARG 301 N -0.47 1.78 0.31 2.79 1.70 -1.26 -4.85 118.95 118.96 1s20 s ARG 301 Ca 0.47 -0.86 -0.16 0.00 -0.47 0.00 0.00 55.73 54.71 1s20 s ARG 301 Cb -0.27 -1.77 -0.09 0.00 -0.57 0.00 0.00 34.95 32.25 1s20 s ARG 301 CO 0.33 0.48 0.74 -0.51 -1.08 0.00 0.00 175.30 175.26 1s20 s LEU 302 N -0.70 4.09 0.13 -1.89 1.02 -1.26 -4.99 118.68 115.08 1s20 s LEU 302 Ca 0.09 1.30 -0.34 0.00 0.02 0.00 0.00 54.13 55.20 1s20 s LEU 302 Cb -0.09 -4.03 -0.14 0.00 0.02 0.00 0.00 46.19 41.96 1s20 s LEU 302 CO -0.00 -0.18 1.62 -0.81 0.02 0.00 0.00 176.35 177.00 1s20 n PRO 303 N -0.25 2.16 -0.63 1.29 -0.04 -1.26 -2.18 135.00 134.09 1s20 n PRO 303 Ca 0.03 0.78 0.00 0.00 -0.04 0.00 0.00 63.50 64.27 1s20 n PRO 303 Cb 0.53 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 1s20 n PRO 303 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s20 n GLY 304 N 3.56 1.67 0.23 0.55 0.00 -1.26 -4.52 105.19 105.41 1s20 n GLY 304 Ca 0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.29 1s20 n GLY 304 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1s20 h HIS 305 N 0.00 0.00 0.00 1.61 3.86 -1.63 -2.55 115.15 116.44 1s20 h HIS 305 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1s20 h HIS 305 Cb 0.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 1s20 h HIS 305 CO 0.00 0.22 -0.07 1.05 0.86 0.00 0.00 177.93 179.99 1s20 h GLU 306 N 0.00 0.00 0.00 2.45 9.09 -1.90 -1.58 114.58 122.64 1s20 h GLU 306 Ca -0.00 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.35 1s20 h GLU 306 Cb 0.59 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.68 1s20 h GLU 306 CO 0.03 0.07 -0.26 0.74 0.05 0.00 0.00 179.01 179.64 1s20 h PHE 307 N 0.00 0.00 -0.03 2.06 0.04 -1.73 0.38 116.94 117.66 1s20 h PHE 307 Ca -0.00 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 1s20 h PHE 307 Cb 0.14 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.29 1s20 h PHE 307 CO 0.00 0.26 -0.13 1.15 -0.60 0.00 0.00 178.31 178.98 1s20 h THR 308 N 0.00 1.48 -0.41 -1.55 2.02 -1.44 -2.81 112.91 110.20 1s20 h THR 308 Ca -0.00 -1.61 -0.10 0.00 0.77 0.00 0.00 66.41 65.46 1s20 h THR 308 Cb 0.46 2.46 -0.01 0.00 -1.74 0.00 0.00 68.15 69.32 1s20 h THR 308 CO 0.03 0.44 -0.14 0.71 0.37 0.00 0.00 175.52 176.93 1s20 h THR 309 N -0.44 1.28 -0.66 3.16 1.35 -1.44 -2.36 112.91 113.80 1s20 h THR 309 Ca -0.01 -1.26 0.01 0.00 -0.55 0.00 0.00 66.41 64.60 1s20 h THR 309 Cb 0.78 1.22 -0.03 0.00 -1.73 0.00 0.00 68.15 68.39 1s20 h THR 309 CO 0.03 0.43 0.43 -0.07 -0.25 0.00 0.00 175.52 176.09 1s20 h LEU 310 N 0.65 0.74 0.16 3.87 3.38 -0.36 -0.80 115.31 122.95 1s20 h LEU 310 Ca 0.10 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1s20 h LEU 310 Cb 0.69 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1s20 h LEU 310 CO 0.05 0.54 -0.09 0.25 0.09 0.00 0.00 178.44 179.27 1s20 h LEU 311 N 0.88 -0.23 -0.63 1.67 5.85 -1.41 -1.02 115.31 120.42 1s20 h LEU 311 Ca 0.24 0.01 0.10 0.00 0.84 0.00 0.00 57.88 59.07 1s20 h LEU 311 Cb -0.09 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 40.93 1s20 h LEU 311 CO -0.06 -0.15 0.24 0.00 -0.34 0.00 0.00 178.44 178.13 1s20 h ALA 312 N 0.60 0.82 -0.52 1.25 0.00 -1.13 -0.09 119.26 120.18 1s20 h ALA 312 Ca -0.02 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1s20 h ALA 312 Cb 0.20 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1s20 h ALA 312 CO 0.02 -0.19 0.15 0.93 0.00 0.00 0.00 179.25 180.16 1s20 h GLU 313 N 0.42 0.83 -0.59 0.00 4.39 -0.88 -2.55 114.58 116.20 1s20 h GLU 313 Ca 0.32 -0.19 -0.09 0.00 0.34 0.00 0.00 59.36 59.74 1s20 h GLU 313 Cb 0.41 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 1s20 h GLU 313 CO -0.32 0.77 0.01 -0.91 -1.16 0.00 0.00 179.01 177.40 1s20 h ASN 314 N 0.73 1.00 0.36 1.42 -0.26 -0.55 -1.59 115.58 116.68 1s20 h ASN 314 Ca 0.17 -0.28 0.00 0.00 -0.56 0.00 0.00 56.30 55.63 1s20 h ASN 314 Cb 0.30 -0.27 0.00 0.00 -1.06 0.00 0.00 38.32 37.29 1s20 h ASN 314 CO -0.00 1.05 0.00 0.54 -1.06 0.00 0.00 177.43 177.96 1s20 n ARG 315 N -4.18 0.28 -0.12 0.81 1.74 -0.10 -1.98 116.66 113.10 1s20 n ARG 315 Ca 0.03 0.10 -0.23 0.00 -0.77 0.00 0.00 57.85 56.98 1s20 n ARG 315 Cb 0.34 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 30.20 1s20 n ARG 315 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1s20 n ARG 316 N -1.28 0.57 -2.28 5.56 0.63 -0.67 -4.71 116.66 114.47 1s20 n ARG 316 Ca 0.09 0.31 -0.26 0.00 -0.92 0.00 0.00 57.85 57.08 1s20 n ARG 316 Cb 0.15 -1.53 0.01 0.00 0.45 0.00 0.00 32.46 31.54 1s20 n ARG 316 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1s20 n ASN 317 N -4.34 4.85 -1.15 6.15 6.94 -0.77 -5.10 115.26 121.85 1s20 n ASN 317 Ca -0.40 -3.73 0.15 0.00 -0.02 0.00 0.00 54.58 50.58 1s20 n ASN 317 Cb 0.74 -0.42 -0.05 0.00 -2.36 0.00 0.00 39.78 37.70 1s20 n ASN 317 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1s20 n GLY 318 N -0.58 -2.15 3.80 4.83 0.00 -0.84 -4.90 105.19 105.36 1s20 n GLY 318 Ca 0.41 -1.21 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 1s20 n GLY 318 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s20 s ILE 319 N -2.50 4.81 -0.15 -0.61 1.01 -0.86 -4.49 121.20 118.41 1s20 s ILE 319 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.23 1s20 s ILE 319 Cb 0.00 -3.23 -0.00 0.00 0.01 0.00 0.00 42.46 39.24 1s20 s ILE 319 CO 0.00 0.32 -0.15 -0.89 0.00 0.00 0.00 174.94 174.22 1s20 s THR 320 N -1.24 2.75 0.03 2.92 2.01 -1.26 -1.27 115.64 119.59 1s20 s THR 320 Ca 0.24 -0.75 0.09 0.00 0.31 0.00 0.00 61.69 61.58 1s20 s THR 320 Cb -0.12 -2.16 -0.03 0.00 0.01 0.00 0.00 72.50 70.20 1s20 s THR 320 CO 0.16 0.52 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.67 1s20 s VAL 321 N 0.72 1.99 0.26 3.82 1.01 -1.26 -5.02 120.40 121.92 1s20 s VAL 321 Ca -0.07 -1.28 -0.31 0.00 0.00 0.00 0.00 61.98 60.32 1s20 s VAL 321 Cb -0.15 -1.70 -0.12 0.00 0.00 0.00 0.00 36.38 34.41 1s20 s VAL 321 CO 0.01 0.36 1.59 0.47 0.00 0.00 0.00 175.10 177.54 1s20 n ASP 322 N 1.91 3.69 -0.19 3.32 8.00 -1.26 -4.71 116.55 127.30 1s20 n ASP 322 Ca -0.17 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.46 1s20 n ASP 322 Cb 0.52 -1.56 0.10 0.00 -0.02 0.00 0.00 41.12 40.17 1s20 n ASP 322 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1s20 h ASP 323 N 5.15 -0.10 -1.00 -2.24 3.32 -1.99 0.66 116.42 120.22 1s20 h ASP 323 Ca -0.46 0.12 0.04 0.00 0.02 0.00 0.00 57.03 56.76 1s20 h ASP 323 Cb 1.23 0.19 -0.06 0.00 0.22 0.00 0.00 39.33 40.91 1s20 h ASP 323 CO 0.82 -0.04 0.66 0.77 -1.72 0.00 0.00 179.24 179.74 1s20 h SER 324 N 0.20 1.09 0.33 6.45 4.64 -1.99 0.97 113.55 125.25 1s20 h SER 324 Ca 0.31 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.61 1s20 h SER 324 Cb 0.48 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1s20 h SER 324 CO -0.44 0.74 -0.16 0.58 -0.87 0.00 0.00 176.83 176.68 1s20 h VAL 325 N 1.26 0.65 -0.87 0.95 2.07 -1.46 -1.93 116.25 116.92 1s20 h VAL 325 Ca 0.40 -0.57 0.10 0.00 0.82 0.00 0.00 66.70 67.45 1s20 h VAL 325 Cb 0.03 0.93 -0.08 0.00 -1.52 0.00 0.00 31.29 30.65 1s20 h VAL 325 CO -0.13 0.11 0.51 -0.25 0.02 0.00 0.00 177.57 177.83 1s20 h TRP 326 N -0.78 0.93 -0.83 1.57 -0.00 -0.73 -0.06 115.95 116.05 1s20 h TRP 326 Ca -0.05 0.03 0.03 0.00 -0.00 0.00 0.00 58.89 58.91 1s20 h TRP 326 Cb 0.51 -0.29 -0.05 0.00 -0.00 0.00 0.00 29.16 29.34 1s20 h TRP 326 CO 0.02 0.38 0.53 0.00 -0.00 0.00 0.00 178.44 179.37 1s20 h ALA 327 N 1.48 1.10 -0.69 2.65 0.00 -0.75 0.92 119.26 123.96 1s20 h ALA 327 Ca 0.42 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.25 1s20 h ALA 327 Cb 0.40 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1s20 h ALA 327 CO -0.25 0.36 0.22 0.87 0.00 0.00 0.00 179.25 180.45 1s20 h LYS 328 N 1.04 1.06 -0.30 0.00 1.57 -0.21 -1.84 116.57 117.90 1s20 h LYS 328 Ca 0.33 -0.22 -0.11 0.00 -1.87 0.00 0.00 60.65 58.79 1s20 h LYS 328 Cb 0.01 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1s20 h LYS 328 CO -0.12 0.90 -0.26 0.82 -0.57 0.00 0.00 179.45 180.22 1s20 h ILE 329 N 1.03 1.27 -0.87 1.86 2.04 -0.55 -2.48 117.51 119.81 1s20 h ILE 329 Ca 0.23 -1.34 0.03 0.00 1.00 0.00 0.00 64.86 64.77 1s20 h ILE 329 Cb 0.28 1.33 -0.05 0.00 -0.74 0.00 0.00 36.82 37.65 1s20 h ILE 329 CO -0.01 0.43 0.56 1.56 0.00 0.00 0.00 178.15 180.70 1s20 h GLN 330 N 0.52 1.08 -0.41 2.37 1.08 -0.22 -1.69 115.11 117.84 1s20 h GLN 330 Ca 0.07 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.16 1s20 h GLN 330 Cb 0.73 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 1s20 h GLN 330 CO 0.06 0.71 0.05 0.00 -0.95 0.00 0.00 178.83 178.70 1s20 h ALA 331 N 1.35 1.32 0.00 3.87 0.00 -0.91 -2.03 119.26 122.86 1s20 h ALA 331 Ca 0.34 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1s20 h ALA 331 Cb -0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1s20 h ALA 331 CO -0.10 0.47 -0.49 -0.07 0.00 0.00 0.00 179.25 179.06 1s20 h LEU 332 N 0.61 0.00 0.43 0.00 3.38 -1.04 -3.25 115.31 115.43 1s20 h LEU 332 Ca 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1s20 h LEU 332 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1s20 h LEU 332 CO 0.01 0.49 -0.21 -0.07 0.09 0.00 0.00 178.44 178.74 1s20 h LEU 333 N 0.00 -0.49 -8.47 1.67 4.07 -0.70 -3.40 115.31 107.99 1s20 h LEU 333 Ca -0.00 0.02 -0.48 0.00 0.08 0.00 0.00 57.88 57.49 1s20 h LEU 333 Cb 0.91 0.13 -0.03 0.00 1.08 0.00 0.00 40.66 42.75 1s20 h LEU 333 CO 0.06 -0.17 1.31 -1.61 -1.08 0.00 0.00 178.44 176.96 1s20 s GLU 334 N -3.54 2.59 0.00 1.13 2.02 -0.82 -5.04 118.70 115.03 1s20 s GLU 334 Ca -0.08 0.57 0.00 0.00 0.02 0.00 0.00 54.97 55.47 1s20 s GLU 334 Cb 0.01 -4.46 0.00 0.00 0.10 0.00 0.00 34.13 29.78 1s20 s GLU 334 CO 0.25 -2.82 0.00 1.58 0.02 0.00 0.00 175.26 174.29