#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w2b n ILE 2 N 0.00 0.00 -3.55 -0.61 -5.35 -1.26 -5.12 119.36 103.47 1w2b n ILE 2 Ca 0.00 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.35 1w2b n ILE 2 Cb 0.00 -1.96 -0.04 0.00 -1.74 0.00 0.00 39.64 35.90 1w2b n ILE 2 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1w2b s SER 3 N -1.00 -0.44 -0.28 7.28 0.01 -1.26 -5.09 113.70 112.92 1w2b s SER 3 Ca 0.00 0.07 -0.28 0.00 1.31 0.00 0.00 55.95 57.05 1w2b s SER 3 Cb 0.00 0.51 -0.04 0.00 0.21 0.00 0.00 66.02 66.71 1w2b s SER 3 CO 0.00 -0.79 2.05 -0.31 0.41 0.00 0.00 173.24 174.59 1w2b s TYR 4 N -2.94 1.43 -2.00 2.43 1.51 -1.26 -4.77 117.35 111.76 1w2b s TYR 4 Ca -0.03 0.61 0.03 0.00 -1.01 0.00 0.00 57.07 56.68 1w2b s TYR 4 Cb -0.00 -4.00 0.20 0.00 -0.11 0.00 0.00 41.96 38.04 1w2b s TYR 4 CO -0.06 -3.54 0.93 -1.13 -1.11 0.00 0.00 175.55 170.65 1w2b n SER 5 N 11.27 0.00 -3.85 2.29 3.41 -1.26 -4.68 113.62 120.80 1w2b n SER 5 Ca 0.27 -1.48 -0.19 0.00 -0.26 0.00 0.00 58.87 57.21 1w2b n SER 5 Cb 0.46 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.25 1w2b n SER 5 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1w2b s VAL 6 N -2.00 0.39 0.23 -3.33 1.01 -1.26 -5.12 120.40 110.32 1w2b s VAL 6 Ca 0.05 -0.02 -0.31 0.00 0.00 0.00 0.00 61.98 61.70 1w2b s VAL 6 Cb 0.02 -0.46 -0.10 0.00 0.00 0.00 0.00 36.38 35.84 1w2b s VAL 6 CO 0.04 0.20 1.54 -1.61 0.00 0.00 0.00 175.10 175.27 1w2b s GLU 7 N 1.07 4.21 -0.05 2.72 2.02 -1.26 -5.00 118.70 122.40 1w2b s GLU 7 Ca -0.09 2.41 0.03 0.00 0.02 0.00 0.00 54.97 57.34 1w2b s GLU 7 Cb -0.14 -3.10 0.01 0.00 0.10 0.00 0.00 34.13 30.99 1w2b s GLU 7 CO -0.01 -0.56 -0.13 0.00 0.02 0.00 0.00 175.26 174.58 1w2b s ALA 8 N 0.49 1.25 -0.49 5.21 0.00 -1.26 -5.11 121.76 121.86 1w2b s ALA 8 Ca 0.65 -0.48 -0.26 0.00 0.00 0.00 0.00 51.96 51.88 1w2b s ALA 8 Cb -0.44 -0.49 0.03 0.00 0.00 0.00 0.00 23.12 22.22 1w2b s ALA 8 CO 0.39 0.17 0.97 0.34 0.00 0.00 0.00 175.76 177.63 1w2b s ASP 9 N 0.36 6.48 0.49 0.00 -1.08 -1.26 -4.93 116.67 116.73 1w2b s ASP 9 Ca -0.09 0.08 0.24 0.00 -0.52 0.00 0.00 52.55 52.26 1w2b s ASP 9 Cb -0.13 -2.47 1.29 0.00 -1.46 0.00 0.00 42.92 40.16 1w2b s ASP 9 CO 0.02 -1.13 1.92 1.55 0.52 0.00 0.00 175.17 178.06 1w2b h PRO 10 N 9.16 0.16 0.00 4.34 0.13 -2.00 0.11 132.00 143.91 1w2b h PRO 10 Ca -0.24 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.83 1w2b h PRO 10 Cb 1.07 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 1w2b h PRO 10 CO 1.06 0.11 -0.24 -0.44 -0.23 0.00 0.00 178.00 178.26 1w2b h ASP 11 N 0.16 0.00 0.00 1.44 3.32 -2.03 -3.25 116.42 116.06 1w2b h ASP 11 Ca 0.37 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.40 1w2b h ASP 11 Cb 1.21 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.71 1w2b h ASP 11 CO -0.06 0.24 -0.42 0.35 -1.72 0.00 0.00 179.24 177.62 1w2b n THR 12 N -4.03 0.70 -4.13 0.35 -2.24 -0.64 -5.06 114.28 99.23 1w2b n THR 12 Ca -0.02 -1.01 -0.14 0.00 -2.27 0.00 0.00 64.05 60.61 1w2b n THR 12 Cb 0.31 0.30 -0.11 0.00 -2.10 0.00 0.00 70.33 68.72 1w2b n THR 12 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1w2b s THR 13 N -1.06 0.81 -0.08 4.28 2.01 0.28 -2.36 115.64 119.52 1w2b s THR 13 Ca 0.16 -1.38 -0.00 0.00 0.31 0.00 0.00 61.69 60.78 1w2b s THR 13 Cb 0.16 -1.04 0.02 0.00 0.01 0.00 0.00 72.50 71.65 1w2b s THR 13 CO -0.02 -0.44 -0.04 0.00 -0.69 0.00 0.00 174.62 173.43 1w2b s ALA 14 N -1.88 0.94 0.37 7.40 0.00 0.06 -4.71 121.76 123.95 1w2b s ALA 14 Ca -0.01 -0.28 0.07 0.00 0.00 0.00 0.00 51.96 51.74 1w2b s ALA 14 Cb -0.06 -0.74 -0.01 0.00 0.00 0.00 0.00 23.12 22.31 1w2b s ALA 14 CO 0.00 -0.34 0.47 0.15 0.00 0.00 0.00 175.76 176.05 1w2b s LYS 15 N 1.63 2.90 -0.29 0.00 1.02 -1.26 0.52 119.74 124.26 1w2b s LYS 15 Ca 0.01 -1.19 -0.26 0.00 0.02 0.00 0.00 55.97 54.55 1w2b s LYS 15 Cb -0.13 -2.70 0.18 0.00 -0.52 0.00 0.00 37.83 34.66 1w2b s LYS 15 CO -0.05 -0.08 1.36 0.00 -0.92 0.00 0.00 175.35 175.66 1w2b s ALA 16 N -2.29 -2.16 0.10 5.17 0.00 -0.58 -4.68 121.76 117.32 1w2b s ALA 16 Ca 0.48 1.74 -0.02 0.00 0.00 0.00 0.00 51.96 54.16 1w2b s ALA 16 Cb -0.08 -1.64 -0.03 0.00 0.00 0.00 0.00 23.12 21.36 1w2b s ALA 16 CO 0.31 -0.15 0.05 -1.64 0.00 0.00 0.00 175.76 174.33 1w2b s MET 17 N -0.23 0.81 -0.01 0.00 -1.94 -1.26 -0.20 119.30 116.47 1w2b s MET 17 Ca 0.07 -1.28 0.08 0.00 -1.71 0.00 0.00 55.69 52.84 1w2b s MET 17 Cb -0.04 0.25 -0.02 0.00 2.01 0.00 0.00 34.83 37.03 1w2b s MET 17 CO -0.12 -0.21 -0.25 -0.51 -0.01 0.00 0.00 175.02 173.92 1w2b s LEU 18 N -2.97 2.07 -0.01 -0.03 1.43 -0.12 -4.96 118.68 114.08 1w2b s LEU 18 Ca 0.15 -0.47 0.08 0.00 -1.03 0.00 0.00 54.13 52.86 1w2b s LEU 18 Cb 0.07 -1.26 -0.02 0.00 0.03 0.00 0.00 46.19 45.01 1w2b s LEU 18 CO -0.04 0.29 -0.25 -0.13 0.23 0.00 0.00 176.35 176.45 1w2b s ARG 19 N -0.69 2.01 -0.67 1.70 1.81 -1.26 -1.97 118.95 119.88 1w2b s ARG 19 Ca 0.10 -0.94 -0.05 0.00 -1.72 0.00 0.00 55.73 53.13 1w2b s ARG 19 Cb -0.10 -1.98 0.01 0.00 -0.45 0.00 0.00 34.95 32.43 1w2b s ARG 19 CO -0.00 0.54 0.09 0.39 -0.68 0.00 0.00 175.30 175.63 1w2b n GLU 20 N 2.35 -0.89 -2.86 3.54 1.02 -0.82 -4.84 120.64 118.14 1w2b n GLU 20 Ca -0.16 -0.04 -0.39 0.00 -0.02 0.00 0.00 57.16 56.55 1w2b n GLU 20 Cb 0.51 -1.36 -0.06 0.00 -0.02 0.00 0.00 31.44 30.51 1w2b n GLU 20 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1w2b s ARG 21 N -5.33 4.64 -0.78 3.49 1.81 0.63 -4.57 118.95 118.84 1w2b s ARG 21 Ca 0.06 1.29 -0.14 0.00 -1.72 0.00 0.00 55.73 55.23 1w2b s ARG 21 Cb -0.04 -3.10 0.21 0.00 -0.45 0.00 0.00 34.95 31.57 1w2b s ARG 21 CO 0.46 0.46 0.72 -0.65 -0.68 0.00 0.00 175.30 175.60 1w2b s GLN 22 N -1.49 3.49 0.33 3.54 -0.21 -1.26 0.26 119.66 124.32 1w2b s GLN 22 Ca 0.42 -2.36 -0.05 0.00 0.02 0.00 0.00 55.36 53.39 1w2b s GLN 22 Cb -0.22 -4.39 0.01 0.00 1.00 0.00 0.00 33.01 29.40 1w2b s GLN 22 CO 0.27 -1.29 0.49 0.00 -2.12 0.00 0.00 175.29 172.64 1w2b s MET 23 N 0.35 1.88 -0.18 2.91 0.23 -1.19 -4.99 119.30 118.30 1w2b s MET 23 Ca 0.16 -1.67 -0.29 0.00 -1.03 0.00 0.00 55.69 52.86 1w2b s MET 23 Cb -0.13 0.46 -0.02 0.00 -1.53 0.00 0.00 34.83 33.61 1w2b s MET 23 CO -0.07 -0.79 1.39 0.45 -2.03 0.00 0.00 175.02 173.98 1w2b s SER 24 N -3.20 6.76 0.36 -1.18 0.15 -1.26 -4.47 113.70 110.86 1w2b s SER 24 Ca 0.29 1.68 0.06 0.00 0.70 0.00 0.00 55.95 58.68 1w2b s SER 24 Cb -0.01 -2.54 0.67 0.00 -1.71 0.00 0.00 66.02 62.44 1w2b s SER 24 CO 0.18 -0.93 1.89 0.15 1.20 0.00 0.00 173.24 175.73 1w2b h PHE 25 N 9.02 0.44 -0.08 3.44 3.57 -1.96 -2.25 116.94 129.11 1w2b h PHE 25 Ca -0.30 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.09 1w2b h PHE 25 Cb 1.12 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 1w2b h PHE 25 CO 0.85 0.47 -0.26 0.87 -2.23 0.00 0.00 178.31 178.01 1w2b h LYS 26 N 0.40 0.14 0.06 1.11 1.57 -2.01 -2.63 116.57 115.21 1w2b h LYS 26 Ca 0.09 -0.04 -0.28 0.00 -1.87 0.00 0.00 60.65 58.54 1w2b h LYS 26 Cb 0.34 -0.01 0.02 0.00 0.08 0.00 0.00 32.23 32.66 1w2b h LYS 26 CO 0.01 0.40 -1.13 0.45 -0.57 0.00 0.00 179.45 178.61 1w2b h HIS 27 N 0.13 0.96 -0.58 -1.35 3.86 -1.83 -3.27 115.15 113.08 1w2b h HIS 27 Ca 0.02 -0.56 0.08 0.00 -1.16 0.00 0.00 60.37 58.75 1w2b h HIS 27 Cb 0.53 -0.09 -0.07 0.00 1.06 0.00 0.00 27.41 28.84 1w2b h HIS 27 CO 0.01 1.40 0.22 0.77 0.86 0.00 0.00 177.93 181.19 1w2b h SER 28 N 0.31 0.24 0.57 2.45 0.02 -1.08 -0.67 113.55 115.39 1w2b h SER 28 Ca -0.15 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.85 1w2b h SER 28 Cb 1.80 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 64.36 1w2b h SER 28 CO 0.22 0.15 -0.49 0.11 -1.14 0.00 0.00 176.83 175.67 1w2b h LYS 29 N 0.41 -1.00 -0.64 3.45 1.57 -1.56 0.26 116.57 119.06 1w2b h LYS 29 Ca 0.28 0.07 0.09 0.00 -1.87 0.00 0.00 60.65 59.22 1w2b h LYS 29 Cb 0.32 0.23 -0.11 0.00 0.08 0.00 0.00 32.23 32.75 1w2b h LYS 29 CO -0.27 -0.67 -0.46 0.00 -0.57 0.00 0.00 179.45 177.47 1w2b h ALA 30 N -1.00 -0.37 -0.51 3.86 0.00 -1.49 0.43 119.26 120.19 1w2b h ALA 30 Ca -0.07 0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1w2b h ALA 30 Cb 0.88 1.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.67 1w2b h ALA 30 CO -0.02 -0.85 0.27 0.82 0.00 0.00 0.00 179.25 179.46 1w2b h ILE 31 N -0.20 0.98 0.15 0.00 2.04 -1.01 0.12 117.51 119.58 1w2b h ILE 31 Ca 0.18 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1w2b h ILE 31 Cb 0.55 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1w2b h ILE 31 CO -0.73 0.10 -0.09 0.00 0.00 0.00 0.00 178.15 177.42 1w2b h ALA 32 N 1.26 -0.97 -1.37 1.87 0.00 0.11 0.32 119.26 120.49 1w2b h ALA 32 Ca 0.22 -0.05 0.46 0.00 0.00 0.00 0.00 54.91 55.54 1w2b h ALA 32 Cb 0.11 0.20 -0.13 0.00 0.00 0.00 0.00 17.79 17.97 1w2b h ALA 32 CO -0.14 -0.96 0.89 -0.09 0.00 0.00 0.00 179.25 178.94 1w2b h ARG 33 N -0.23 0.04 0.00 0.00 2.43 -0.13 0.56 114.38 117.05 1w2b h ARG 33 Ca -0.02 -0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 58.99 1w2b h ARG 33 Cb 0.18 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1w2b h ARG 33 CO 0.02 0.03 -0.77 1.49 -1.51 0.00 0.00 179.97 179.23 1w2b h GLU 34 N 0.04 0.00 -0.46 0.20 4.57 0.20 -3.31 114.58 115.82 1w2b h GLU 34 Ca 0.85 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 59.03 1w2b h GLU 34 Cb 2.74 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 31.33 1w2b h GLU 34 CO -0.43 0.77 0.00 0.44 -1.18 0.00 0.00 179.01 178.61 1w2b n ILE 35 N -3.36 0.70 -2.58 2.32 -5.35 0.19 -4.94 119.36 106.34 1w2b n ILE 35 Ca 0.01 -0.85 -0.41 0.00 -0.27 0.00 0.00 62.75 61.23 1w2b n ILE 35 Cb 0.82 0.78 -0.04 0.00 -1.74 0.00 0.00 39.64 39.46 1w2b n ILE 35 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1w2b s LYS 36 N -1.22 4.64 0.00 6.28 2.20 -0.79 -2.81 119.74 128.05 1w2b s LYS 36 Ca 0.37 1.64 0.00 0.00 -0.36 0.00 0.00 55.97 57.63 1w2b s LYS 36 Cb 0.21 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 1w2b s LYS 36 CO 0.28 0.15 0.00 0.41 -0.36 0.00 0.00 175.35 175.84 1w2b n GLY 37 N 1.99 1.79 3.88 5.54 0.00 -0.99 -5.03 105.19 112.36 1w2b n GLY 37 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1w2b n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1w2b s LYS 38 N -0.56 3.10 -0.22 1.61 1.02 -1.12 -4.65 119.74 118.92 1w2b s LYS 38 Ca 0.00 0.52 -0.23 0.00 0.02 0.00 0.00 55.97 56.28 1w2b s LYS 38 Cb 0.00 -2.06 -0.01 0.00 -0.52 0.00 0.00 37.83 35.24 1w2b s LYS 38 CO 0.00 -0.86 0.77 0.99 -0.92 0.00 0.00 175.35 175.33 1w2b s THR 39 N -3.28 4.90 0.03 2.17 2.01 -1.26 -0.80 115.64 119.41 1w2b s THR 39 Ca 0.57 1.46 0.00 0.00 0.31 0.00 0.00 61.69 64.03 1w2b s THR 39 Cb -0.11 -4.07 0.04 0.00 0.01 0.00 0.00 72.50 68.37 1w2b s THR 39 CO 0.52 -0.01 0.15 0.00 -0.69 0.00 0.00 174.62 174.59 1w2b n ALA 40 N 5.65 0.05 0.24 7.40 0.00 0.33 0.19 120.51 134.37 1w2b n ALA 40 Ca 0.03 0.10 -0.10 0.00 0.00 0.00 0.00 53.44 53.48 1w2b n ALA 40 Cb 0.48 -0.07 -0.05 0.00 0.00 0.00 0.00 19.45 19.81 1w2b n ALA 40 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1w2b h GLY 41 N 0.00 -0.67 -0.91 0.00 0.00 -1.69 -0.74 103.07 99.06 1w2b h GLY 41 Ca 0.06 0.25 0.41 0.00 0.00 0.00 0.00 47.33 48.05 1w2b h GLY 41 CO -0.09 -0.24 0.96 0.83 0.00 0.00 0.00 176.54 177.99 1w2b h GLU 42 N -0.83 0.08 -0.25 4.80 5.08 0.18 0.91 114.58 124.56 1w2b h GLU 42 Ca -0.07 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1w2b h GLU 42 Cb 0.49 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1w2b h GLU 42 CO 0.11 0.06 0.04 0.00 -1.00 0.00 0.00 179.01 178.21 1w2b h ALA 43 N 1.40 0.33 0.22 3.43 0.00 -0.32 -1.41 119.26 122.91 1w2b h ALA 43 Ca 0.73 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.44 1w2b h ALA 43 Cb 2.59 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 20.28 1w2b h ALA 43 CO -0.17 0.01 -0.11 0.28 0.00 0.00 0.00 179.25 179.27 1w2b h VAL 44 N 0.22 0.00 -1.12 0.00 2.07 0.23 -1.97 116.25 115.69 1w2b h VAL 44 Ca 0.08 -0.09 0.43 0.00 0.82 0.00 0.00 66.70 67.94 1w2b h VAL 44 Cb 0.33 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.94 1w2b h VAL 44 CO 0.01 0.00 0.66 0.47 0.02 0.00 0.00 177.57 178.72 1w2b n ASP 45 N -3.04 0.29 0.37 0.57 8.00 -0.54 0.06 116.55 122.26 1w2b n ASP 45 Ca -0.04 1.52 -0.15 0.00 0.71 0.00 0.00 54.79 56.84 1w2b n ASP 45 Cb 0.12 -0.74 -0.07 0.00 -0.02 0.00 0.00 41.12 40.41 1w2b n ASP 45 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1w2b h TYR 46 N 0.00 -0.88 -0.26 1.24 3.20 -1.13 -1.69 116.97 117.45 1w2b h TYR 46 Ca 0.84 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.76 1w2b h TYR 46 Cb 2.42 0.29 -0.07 0.00 1.54 0.00 0.00 36.73 40.91 1w2b h TYR 46 CO -0.01 -0.55 -0.25 -0.07 -1.64 0.00 0.00 178.16 175.64 1w2b h LEU 47 N -1.03 -0.80 -0.74 2.82 3.38 0.42 0.14 115.31 119.50 1w2b h LEU 47 Ca -0.10 0.15 0.16 0.00 0.09 0.00 0.00 57.88 58.18 1w2b h LEU 47 Cb 0.73 0.38 -0.13 0.00 0.09 0.00 0.00 40.66 41.73 1w2b h LEU 47 CO 0.16 -0.28 -0.05 -0.33 0.09 0.00 0.00 178.44 178.03 1w2b h GLU 48 N -0.25 0.07 -0.29 1.13 5.08 -0.97 0.34 114.58 119.70 1w2b h GLU 48 Ca 0.14 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1w2b h GLU 48 Cb 0.47 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1w2b h GLU 48 CO -0.40 0.04 0.14 0.00 -1.00 0.00 0.00 179.01 177.79 1w2b h ALA 49 N 1.70 0.34 -0.23 3.43 0.00 0.07 0.14 119.26 124.71 1w2b h ALA 49 Ca 0.39 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.37 1w2b h ALA 49 Cb 0.66 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 1w2b h ALA 49 CO -0.68 -0.25 -0.21 0.28 0.00 0.00 0.00 179.25 178.38 1w2b h VAL 50 N 0.29 0.45 -0.77 0.00 2.07 0.20 0.13 116.25 118.61 1w2b h VAL 50 Ca 0.12 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.78 1w2b h VAL 50 Cb 0.04 0.45 -0.09 0.00 -1.52 0.00 0.00 31.29 30.16 1w2b h VAL 50 CO -0.09 0.00 0.33 0.40 0.02 0.00 0.00 177.57 178.24 1w2b h ILE 51 N -0.22 0.68 -0.06 4.57 2.04 0.20 0.10 117.51 124.82 1w2b h ILE 51 Ca 0.13 -0.17 -0.07 0.00 1.00 0.00 0.00 64.86 65.75 1w2b h ILE 51 Cb 0.42 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1w2b h ILE 51 CO -0.36 0.09 -0.31 -0.08 0.00 0.00 0.00 178.15 177.49 1w2b h GLU 52 N 0.49 0.11 0.00 2.37 4.57 0.88 -3.47 114.58 119.51 1w2b h GLU 52 Ca 0.42 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.57 1w2b h GLU 52 Cb 0.63 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 1w2b h GLU 52 CO -0.39 0.41 0.00 0.41 -1.18 0.00 0.00 179.01 178.26 1w2b n GLY 53 N -0.54 1.15 0.04 1.92 0.00 0.28 -4.97 105.19 103.06 1w2b n GLY 53 Ca -0.02 -0.20 0.01 0.00 0.00 0.00 0.00 46.02 45.81 1w2b n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1w2b n ASP 54 N 0.40 1.31 -4.02 1.61 8.00 -1.09 -4.91 116.55 117.85 1w2b n ASP 54 Ca 0.00 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.22 1w2b n ASP 54 Cb 0.03 1.33 -0.17 0.00 -0.02 0.00 0.00 41.12 42.29 1w2b n ASP 54 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1w2b s GLN 55 N -2.76 2.09 0.41 -1.24 2.00 -1.23 -5.00 119.66 113.93 1w2b s GLN 55 Ca -0.07 -0.50 0.00 0.00 -2.00 0.00 0.00 55.36 52.80 1w2b s GLN 55 Cb 0.08 -1.87 -0.02 0.00 0.80 0.00 0.00 33.01 32.00 1w2b s GLN 55 CO 0.64 -0.15 0.63 -1.25 -0.50 0.00 0.00 175.29 174.67 1w2b s PRO 56 N 1.25 3.24 -0.20 1.67 0.04 -1.26 -3.66 135.00 136.08 1w2b s PRO 56 Ca -0.01 -0.40 -0.05 0.00 0.04 0.00 0.00 61.00 60.57 1w2b s PRO 56 Cb -0.14 -2.59 -0.03 0.00 0.04 0.00 0.00 34.50 31.78 1w2b s PRO 56 CO -0.05 -0.11 0.01 0.08 0.04 0.00 0.00 177.00 176.97 1w2b s VAL 57 N -2.47 4.10 -0.19 -0.36 1.01 0.13 -4.92 120.40 117.69 1w2b s VAL 57 Ca 0.45 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 1w2b s VAL 57 Cb -0.10 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.38 1w2b s VAL 57 CO 0.38 0.43 1.95 -2.84 0.00 0.00 0.00 175.10 175.01 1w2b s PRO 58 N 0.90 3.52 -1.01 2.72 0.02 -1.26 -1.52 135.00 138.37 1w2b s PRO 58 Ca 0.01 1.94 -0.15 0.00 0.02 0.00 0.00 61.00 62.83 1w2b s PRO 58 Cb -0.14 -4.22 0.18 0.00 0.02 0.00 0.00 34.50 30.33 1w2b s PRO 58 CO 0.02 -1.65 1.14 -0.06 -0.33 0.00 0.00 177.00 176.13 1w2b s PHE 59 N 6.57 3.48 0.09 6.54 2.99 -0.43 -4.84 117.98 132.38 1w2b s PHE 59 Ca 0.87 -1.87 0.04 0.00 0.00 0.00 0.00 56.93 55.98 1w2b s PHE 59 Cb -0.31 -4.15 -0.23 0.00 0.00 0.00 0.00 43.02 38.33 1w2b s PHE 59 CO 0.35 -1.30 1.16 0.87 -0.00 0.00 0.00 175.22 176.29 1w2b h LYS 60 N 7.92 0.08 0.00 0.44 1.57 -1.91 -3.37 116.57 121.29 1w2b h LYS 60 Ca 0.19 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1w2b h LYS 60 Cb 0.97 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.33 1w2b h LYS 60 CO 1.07 1.01 -0.55 0.94 -0.57 0.00 0.00 179.45 181.34 1w2b n GLN 61 N -3.37 0.33 -2.03 3.15 7.27 -1.26 -4.66 117.38 116.81 1w2b n GLN 61 Ca -0.05 0.22 -0.41 0.00 0.07 0.00 0.00 57.00 56.83 1w2b n GLN 61 Cb 0.98 -1.17 -0.00 0.00 2.41 0.00 0.00 30.24 32.45 1w2b n GLN 61 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1w2b n HIS 62 N -3.76 2.76 0.99 3.69 8.25 -1.26 -4.61 115.22 121.29 1w2b n HIS 62 Ca -0.08 -2.85 0.11 0.00 -0.26 0.00 0.00 57.72 54.65 1w2b n HIS 62 Cb 0.29 -2.00 0.03 0.00 1.12 0.00 0.00 29.99 29.43 1w2b n HIS 62 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1w2b n ASN 63 N 3.05 2.35 -4.58 0.41 6.94 -1.26 -4.94 115.26 117.23 1w2b n ASN 63 Ca 0.55 -1.68 -0.64 0.00 -0.02 0.00 0.00 54.58 52.79 1w2b n ASN 63 Cb 0.30 0.32 -0.09 0.00 -2.36 0.00 0.00 39.78 37.94 1w2b n ASN 63 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1w2b n SER 64 N 0.44 0.90 0.00 0.53 3.41 -1.26 0.60 113.62 118.24 1w2b n SER 64 Ca 0.11 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.87 1w2b n SER 64 Cb 0.51 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 1w2b n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1w2b n GLY 65 N 3.32 0.64 3.76 5.00 0.00 -1.26 -4.95 105.19 111.71 1w2b n GLY 65 Ca 0.28 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 1w2b n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1w2b s VAL 66 N -1.83 2.43 0.12 1.61 1.01 0.20 -4.96 120.40 118.98 1w2b s VAL 66 Ca 0.00 0.35 -0.28 0.00 0.00 0.00 0.00 61.98 62.05 1w2b s VAL 66 Cb 0.00 -3.19 -0.07 0.00 0.00 0.00 0.00 36.38 33.12 1w2b s VAL 66 CO 0.00 0.03 0.88 -0.83 0.00 0.00 0.00 175.10 175.18 1w2b s GLY 67 N -0.86 2.96 0.51 4.51 0.00 -1.26 -4.84 107.32 108.34 1w2b s GLY 67 Ca 0.63 0.48 -0.23 0.00 0.00 0.00 0.00 44.72 45.60 1w2b s GLY 67 CO 0.48 1.24 1.38 1.42 0.00 0.00 0.00 173.10 177.62 1w2b n HIS 68 N 2.42 2.44 -5.21 1.90 -0.00 -1.26 -3.45 115.22 112.05 1w2b n HIS 68 Ca -0.01 0.43 -0.31 0.00 -0.00 0.00 0.00 57.72 57.84 1w2b n HIS 68 Cb 0.49 -2.40 -0.16 0.00 -0.00 0.00 0.00 29.99 27.92 1w2b n HIS 68 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1w2b s LYS 69 N -2.74 2.51 0.18 -0.41 -0.14 0.74 -4.88 119.74 115.00 1w2b s LYS 69 Ca 0.68 -0.87 -0.09 0.00 -1.36 0.00 0.00 55.97 54.33 1w2b s LYS 69 Cb -0.43 -2.10 0.06 0.00 -1.68 0.00 0.00 37.83 33.68 1w2b s LYS 69 CO 0.52 0.34 1.63 0.66 -0.76 0.00 0.00 175.35 177.74 1w2b h SER 70 N 6.15 1.06 0.35 2.83 4.64 -1.95 -3.02 113.55 123.61 1w2b h SER 70 Ca -0.31 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 60.69 1w2b h SER 70 Cb 1.18 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1w2b h SER 70 CO 0.47 1.13 0.00 0.29 -0.87 0.00 0.00 176.83 177.85 1w2b n LYS 71 N -4.16 0.35 -2.60 4.77 5.02 -1.26 -4.72 118.16 115.55 1w2b n LYS 71 Ca 0.03 0.08 -0.43 0.00 -2.02 0.00 0.00 58.31 55.96 1w2b n LYS 71 Cb 0.37 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.86 1w2b n LYS 71 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1w2b s VAL 72 N -2.50 4.55 -0.20 -0.18 1.01 -1.14 -4.94 120.40 117.00 1w2b s VAL 72 Ca 0.22 1.85 -0.17 0.00 0.00 0.00 0.00 61.98 63.88 1w2b s VAL 72 Cb 0.14 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1w2b s VAL 72 CO 0.31 -0.25 0.46 -0.62 0.00 0.00 0.00 175.10 175.00 1w2b s ASP 73 N 1.50 6.50 0.00 3.32 2.15 -1.26 -4.12 116.67 124.76 1w2b s ASP 73 Ca 0.47 0.60 0.00 0.00 0.43 0.00 0.00 52.55 54.04 1w2b s ASP 73 Cb -0.16 -2.26 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1w2b s ASP 73 CO 0.10 -0.13 0.00 0.61 -0.17 0.00 0.00 175.17 175.58 1w2b n GLY 74 N 3.91 1.42 3.02 2.66 0.00 -1.26 -4.96 105.19 109.98 1w2b n GLY 74 Ca -0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 1w2b n GLY 74 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1w2b n TRP 75 N -2.00 -1.27 0.03 1.61 -0.00 -1.26 -5.14 117.44 109.42 1w2b n TRP 75 Ca 0.00 -2.18 0.00 0.00 -0.00 0.00 0.00 57.50 55.32 1w2b n TRP 75 Cb 0.00 0.47 0.00 0.00 -0.00 0.00 0.00 31.31 31.78 1w2b n TRP 75 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 1w2b n ASP 76 N -1.69 0.61 -4.77 5.87 5.68 -1.26 -4.72 116.55 116.27 1w2b n ASP 76 Ca 0.01 0.10 -0.40 0.00 -0.50 0.00 0.00 54.79 54.00 1w2b n ASP 76 Cb 0.53 -0.17 -0.01 0.00 -1.14 0.00 0.00 41.12 40.33 1w2b n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1w2b s ALA 77 N -2.00 3.32 -0.16 2.12 0.00 -1.26 -0.18 121.76 123.60 1w2b s ALA 77 Ca 0.00 1.20 -0.34 0.00 0.00 0.00 0.00 51.96 52.82 1w2b s ALA 77 Cb 0.00 -3.47 0.13 0.00 0.00 0.00 0.00 23.12 19.79 1w2b s ALA 77 CO 0.00 -0.71 1.16 0.20 0.00 0.00 0.00 175.76 176.40 1w2b s GLY 78 N -0.71 -0.31 0.00 0.00 0.00 -1.22 -1.31 107.32 103.76 1w2b s GLY 78 Ca 0.54 1.54 0.00 0.00 0.00 0.00 0.00 44.72 46.80 1w2b s GLY 78 CO 0.49 0.52 0.00 0.54 0.00 0.00 0.00 173.10 174.65 1w2b n ARG 79 N -0.09 0.45 -3.42 2.90 1.74 -0.57 -4.68 116.66 112.99 1w2b n ARG 79 Ca -0.01 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.80 1w2b n ARG 79 Cb 0.59 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.93 1w2b n ARG 79 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1w2b n TYR 80 N 0.00 -0.13 -2.19 -1.55 4.02 -1.26 0.22 117.16 116.27 1w2b n TYR 80 Ca 0.00 -3.51 -0.41 0.00 -0.01 0.00 0.00 57.90 53.97 1w2b n TYR 80 Cb 0.00 0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.30 1w2b n TYR 80 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 1w2b s PRO 81 N -0.46 3.07 -0.11 -0.72 0.02 -1.26 -4.84 135.00 130.70 1w2b s PRO 81 Ca 0.33 0.69 -0.10 0.00 0.02 0.00 0.00 61.00 61.93 1w2b s PRO 81 Cb 0.06 -4.23 -0.09 0.00 0.02 0.00 0.00 34.50 30.25 1w2b s PRO 81 CO -0.17 -2.20 0.30 1.05 -0.33 0.00 0.00 177.00 175.64 1w2b h GLU 82 N 12.78 -0.03 -0.67 5.54 4.11 -1.92 -2.44 114.58 131.96 1w2b h GLU 82 Ca -0.28 0.00 0.12 0.00 0.07 0.00 0.00 59.36 59.27 1w2b h GLU 82 Cb 1.13 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 30.26 1w2b h GLU 82 CO 1.16 0.30 -0.30 -0.22 0.07 0.00 0.00 179.01 180.03 1w2b h LYS 83 N -1.00 -0.10 -0.13 1.06 3.64 -1.99 0.47 116.57 118.51 1w2b h LYS 83 Ca -0.00 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1w2b h LYS 83 Cb 0.34 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1w2b h LYS 83 CO 0.01 -0.07 -0.00 0.00 -2.27 0.00 0.00 179.45 177.11 1w2b h ALA 84 N 1.23 0.11 -0.58 5.00 0.00 -1.96 -1.66 119.26 121.40 1w2b h ALA 84 Ca 0.28 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.30 1w2b h ALA 84 Cb 0.55 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 1w2b h ALA 84 CO -0.73 -0.46 0.24 0.77 0.00 0.00 0.00 179.25 179.08 1w2b h SER 85 N 0.04 0.28 0.56 0.00 0.02 -0.35 -0.39 113.55 113.71 1w2b h SER 85 Ca 0.06 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1w2b h SER 85 Cb 0.08 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1w2b h SER 85 CO -0.11 0.18 -0.50 0.11 -1.14 0.00 0.00 176.83 175.37 1w2b h LYS 86 N 0.45 -1.00 -1.16 3.45 1.57 0.31 0.23 116.57 120.42 1w2b h LYS 86 Ca 0.28 0.07 0.36 0.00 -1.87 0.00 0.00 60.65 59.49 1w2b h LYS 86 Cb 0.30 0.23 -0.12 0.00 0.08 0.00 0.00 32.23 32.71 1w2b h LYS 86 CO -0.26 -0.67 0.73 0.00 -0.57 0.00 0.00 179.45 178.68 1w2b h ALA 87 N -0.89 2.41 -0.05 3.86 0.00 -0.77 1.10 119.26 124.91 1w2b h ALA 87 Ca -0.07 0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.78 1w2b h ALA 87 Cb 0.89 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1w2b h ALA 87 CO -0.03 -0.97 -0.73 0.74 0.00 0.00 0.00 179.25 178.26 1w2b h PHE 88 N 0.23 0.41 -0.28 0.00 -1.00 0.42 -2.21 116.94 114.50 1w2b h PHE 88 Ca 0.73 -0.18 -0.01 0.00 2.81 0.00 0.00 57.97 61.32 1w2b h PHE 88 Cb 2.05 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 41.54 1w2b h PHE 88 CO -0.01 0.93 0.15 -0.07 -1.61 0.00 0.00 178.31 177.70 1w2b h LEU 89 N 0.20 0.36 -0.24 1.54 3.38 0.44 -1.51 115.31 119.47 1w2b h LEU 89 Ca -0.03 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 57.90 1w2b h LEU 89 Cb 1.30 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.91 1w2b h LEU 89 CO 0.12 0.35 -0.08 0.44 0.09 0.00 0.00 178.44 179.36 1w2b h ASP 90 N 0.34 -0.28 -0.96 -0.43 5.19 -1.21 0.37 116.42 119.44 1w2b h ASP 90 Ca 0.10 0.08 0.22 0.00 -0.62 0.00 0.00 57.03 56.81 1w2b h ASP 90 Cb 0.08 0.17 -0.08 0.00 0.18 0.00 0.00 39.33 39.68 1w2b h ASP 90 CO -0.02 -0.11 0.62 0.25 -3.12 0.00 0.00 179.24 176.87 1w2b h LEU 91 N -0.03 0.47 0.08 1.55 5.85 -1.00 -1.06 115.31 121.16 1w2b h LEU 91 Ca 0.12 0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.76 1w2b h LEU 91 Cb 0.21 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.24 1w2b h LEU 91 CO -0.27 0.16 -0.58 -0.07 -0.34 0.00 0.00 178.44 177.34 1w2b h LEU 92 N 0.45 0.38 -1.83 2.25 3.38 0.15 -2.16 115.31 117.94 1w2b h LEU 92 Ca 0.52 -0.90 0.18 0.00 0.09 0.00 0.00 57.88 57.77 1w2b h LEU 92 Cb 1.24 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.83 1w2b h LEU 92 CO -0.23 1.25 0.49 -0.08 0.09 0.00 0.00 178.44 179.95 1w2b h GLU 93 N -0.43 0.15 0.17 1.13 4.81 0.80 2.37 114.58 123.59 1w2b h GLU 93 Ca -0.09 -0.01 -0.25 0.00 -0.13 0.00 0.00 59.36 58.87 1w2b h GLU 93 Cb 1.41 -0.03 0.02 0.00 0.63 0.00 0.00 28.75 30.77 1w2b h GLU 93 CO 0.11 0.10 -1.16 -0.97 -0.73 0.00 0.00 179.01 176.37 1w2b h ASN 94 N 0.15 0.56 -0.51 1.04 -1.24 -1.31 -1.47 115.58 112.81 1w2b h ASN 94 Ca 0.34 -0.93 0.00 0.00 0.71 0.00 0.00 56.30 56.43 1w2b h ASN 94 Cb 1.12 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.97 1w2b h ASN 94 CO -0.05 1.54 0.32 0.00 -1.29 0.00 0.00 177.43 177.95 1w2b h ALA 95 N 0.08 0.65 0.00 1.57 0.00 0.03 0.17 119.26 121.76 1w2b h ALA 95 Ca -0.21 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 1w2b h ALA 95 Cb 1.83 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 1w2b h ALA 95 CO 0.17 0.11 -0.56 0.28 0.00 0.00 0.00 179.25 179.25 1w2b h VAL 96 N 0.68 1.25 0.05 0.00 2.07 0.38 -2.82 116.25 117.85 1w2b h VAL 96 Ca 0.18 -2.02 -0.00 0.00 0.82 0.00 0.00 66.70 65.68 1w2b h VAL 96 Cb -0.04 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1w2b h VAL 96 CO -0.04 0.55 -0.02 1.23 0.02 0.00 0.00 177.57 179.31 1w2b h GLY 97 N 2.09 -0.06 0.23 2.17 0.00 -0.47 -2.63 103.07 104.39 1w2b h GLY 97 Ca -0.01 0.02 0.14 0.00 0.00 0.00 0.00 47.33 47.49 1w2b h GLY 97 CO 0.07 -0.02 0.43 3.43 0.00 0.00 0.00 176.54 180.45 1w2b h ASN 98 N -0.59 0.51 0.25 0.19 -0.26 -0.71 -1.67 115.58 113.30 1w2b h ASN 98 Ca -0.01 0.09 -0.01 0.00 -0.56 0.00 0.00 56.30 55.81 1w2b h ASN 98 Cb 0.52 0.01 -0.00 0.00 -1.06 0.00 0.00 38.32 37.80 1w2b h ASN 98 CO 0.01 0.22 -0.15 0.00 -1.06 0.00 0.00 177.43 176.44 1w2b h ALA 99 N 1.55 -1.03 -0.88 -0.83 0.00 -1.48 -2.62 119.26 113.98 1w2b h ALA 99 Ca 0.46 -0.08 0.20 0.00 0.00 0.00 0.00 54.91 55.49 1w2b h ALA 99 Cb 0.64 0.25 -0.16 0.00 0.00 0.00 0.00 17.79 18.52 1w2b h ALA 99 CO -0.36 -1.01 -0.10 -0.44 0.00 0.00 0.00 179.25 177.34 1w2b h ASP 100 N -0.38 -0.61 0.10 0.00 3.32 -1.18 1.03 116.42 118.71 1w2b h ASP 100 Ca -0.03 0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1w2b h ASP 100 Cb 0.30 0.48 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1w2b h ASP 100 CO 0.04 -0.28 0.00 -0.74 -1.72 0.00 0.00 179.24 176.54 1w2b h HIS 101 N 0.03 0.00 -0.02 4.55 2.76 -1.15 0.30 115.15 121.62 1w2b h HIS 101 Ca 0.47 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.64 1w2b h HIS 101 Cb 0.82 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.78 1w2b h HIS 101 CO -0.57 0.00 -0.29 1.04 -1.30 0.00 0.00 177.93 176.81 1w2b n GLN 102 N -2.60 1.49 0.00 5.26 6.02 0.35 -4.95 117.38 122.94 1w2b n GLN 102 Ca -0.02 -1.17 0.00 0.00 -0.01 0.00 0.00 57.00 55.80 1w2b n GLN 102 Cb 0.07 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.86 1w2b n GLN 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1w2b n GLY 103 N 1.37 2.96 3.63 1.08 0.00 0.10 -5.09 105.19 109.25 1w2b n GLY 103 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1w2b n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1w2b s PHE 104 N -2.61 1.84 -1.05 1.61 0.40 -1.13 -4.91 117.98 112.13 1w2b s PHE 104 Ca 0.00 1.31 -0.11 0.00 -0.60 0.00 0.00 56.93 57.54 1w2b s PHE 104 Cb 0.00 -3.18 0.26 0.00 0.51 0.00 0.00 43.02 40.60 1w2b s PHE 104 CO 0.00 -3.01 1.05 0.34 0.70 0.00 0.00 175.22 174.30 1w2b s ASP 105 N -2.98 7.17 0.00 1.36 2.15 -1.26 -3.74 116.67 119.36 1w2b s ASP 105 Ca 0.66 -3.32 0.00 0.00 0.43 0.00 0.00 52.55 50.32 1w2b s ASP 105 Cb -0.21 -2.23 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1w2b s ASP 105 CO 0.60 -0.40 0.10 0.61 -0.17 0.00 0.00 175.17 175.91 1w2b n GLY 106 N 3.14 -0.74 0.14 2.66 0.00 -1.26 -1.21 105.19 107.92 1w2b n GLY 106 Ca 0.22 0.16 0.07 0.00 0.00 0.00 0.00 46.02 46.47 1w2b n GLY 106 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1w2b n GLU 107 N -0.29 -0.03 0.03 1.61 1.02 -1.26 0.21 120.64 121.92 1w2b n GLU 107 Ca 0.00 0.61 0.10 0.00 -0.02 0.00 0.00 57.16 57.84 1w2b n GLU 107 Cb 0.00 -0.98 0.41 0.00 -0.02 0.00 0.00 31.44 30.85 1w2b n GLU 107 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1w2b n ALA 108 N -3.34 1.84 -1.80 0.62 0.00 -0.35 -2.14 120.51 115.33 1w2b n ALA 108 Ca 0.10 -0.04 -0.34 0.00 0.00 0.00 0.00 53.44 53.17 1w2b n ALA 108 Cb 0.35 -1.32 -0.05 0.00 0.00 0.00 0.00 19.45 18.43 1w2b n ALA 108 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1w2b s MET 109 N -3.06 3.95 0.26 0.00 -1.94 0.56 -4.69 119.30 114.39 1w2b s MET 109 Ca 0.08 1.28 -0.12 0.00 -1.71 0.00 0.00 55.69 55.22 1w2b s MET 109 Cb 0.12 -2.12 -0.08 0.00 2.01 0.00 0.00 34.83 34.75 1w2b s MET 109 CO 0.36 -0.29 0.63 0.99 -0.01 0.00 0.00 175.02 176.70 1w2b s THR 110 N -2.05 4.81 -1.13 2.05 2.01 -0.97 -0.51 115.64 119.85 1w2b s THR 110 Ca 0.65 0.71 -0.17 0.00 0.31 0.00 0.00 61.69 63.19 1w2b s THR 110 Cb -0.14 -3.63 0.13 0.00 0.01 0.00 0.00 72.50 68.87 1w2b s THR 110 CO 0.18 -0.09 1.41 -0.63 -0.69 0.00 0.00 174.62 174.80 1w2b s ILE 111 N -1.86 4.64 0.33 1.82 1.01 0.02 -1.75 121.20 125.41 1w2b s ILE 111 Ca 0.49 -1.98 0.01 0.00 0.00 0.00 0.00 60.65 59.17 1w2b s ILE 111 Cb -0.11 -4.95 0.27 0.00 0.01 0.00 0.00 42.46 37.68 1w2b s ILE 111 CO 0.19 -1.71 1.98 0.50 0.00 0.00 0.00 174.94 175.91 1w2b h LYS 112 N 8.01 0.92 -2.45 2.79 3.64 -1.26 -2.63 116.57 125.58 1w2b h LYS 112 Ca 0.29 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.52 1w2b h LYS 112 Cb 0.93 -0.21 -0.23 0.00 -0.41 0.00 0.00 32.23 32.31 1w2b h LYS 112 CO 1.27 0.61 -0.11 -1.58 -2.27 0.00 0.00 179.45 177.36 1w2b s HIS 113 N -5.80 -0.62 -0.22 1.91 5.04 -1.05 -4.85 115.29 109.69 1w2b s HIS 113 Ca -0.11 1.45 -0.17 0.00 -1.54 0.00 0.00 55.06 54.70 1w2b s HIS 113 Cb 0.18 0.24 0.06 0.00 0.04 0.00 0.00 32.58 33.10 1w2b s HIS 113 CO 0.78 -0.31 0.58 0.54 -2.34 0.00 0.00 174.74 173.99 1w2b s VAL 114 N 0.53 -0.01 -0.27 0.89 0.11 -1.26 0.32 120.40 120.72 1w2b s VAL 114 Ca -0.02 0.02 -0.24 0.00 -2.93 0.00 0.00 61.98 58.81 1w2b s VAL 114 Cb -0.04 -0.82 0.08 0.00 -1.53 0.00 0.00 36.38 34.07 1w2b s VAL 114 CO -0.03 0.01 0.79 0.00 -3.33 0.00 0.00 175.10 172.54 1w2b s ALA 115 N 0.88 -1.84 -0.10 1.54 0.00 -1.03 -4.81 121.76 116.41 1w2b s ALA 115 Ca -0.05 2.04 -0.06 0.00 0.00 0.00 0.00 51.96 53.90 1w2b s ALA 115 Cb -0.05 -1.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.76 1w2b s ALA 115 CO -0.07 -0.32 0.13 0.00 0.00 0.00 0.00 175.76 175.49 1w2b s ALA 116 N 0.49 3.81 -0.03 0.00 0.00 -1.26 -1.87 121.76 122.90 1w2b s ALA 116 Ca -0.01 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.29 1w2b s ALA 116 Cb -0.05 -1.88 0.01 0.00 0.00 0.00 0.00 23.12 21.19 1w2b s ALA 116 CO -0.03 0.64 -0.08 -1.01 0.00 0.00 0.00 175.76 175.28 1w2b s HIS 117 N -1.06 0.92 -0.53 0.00 3.76 0.20 -4.90 115.29 113.68 1w2b s HIS 117 Ca 0.17 -0.24 -0.29 0.00 -0.15 0.00 0.00 55.06 54.55 1w2b s HIS 117 Cb -0.12 -0.68 0.03 0.00 1.11 0.00 0.00 32.58 32.92 1w2b s HIS 117 CO 0.06 -0.12 1.18 0.21 -0.85 0.00 0.00 174.74 175.22 1w2b s LYS 118 N 0.32 3.61 0.00 1.40 2.20 -1.26 -1.29 119.74 124.72 1w2b s LYS 118 Ca -0.05 0.42 0.19 0.00 -0.36 0.00 0.00 55.97 56.17 1w2b s LYS 118 Cb -0.10 -3.97 0.79 0.00 -1.51 0.00 0.00 37.83 33.05 1w2b s LYS 118 CO 0.01 -1.54 1.55 0.28 -0.36 0.00 0.00 175.35 175.29 1w2b n VAL 119 N 6.78 0.16 0.00 4.02 0.31 0.11 -4.97 118.33 124.74 1w2b n VAL 119 Ca 0.10 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1w2b n VAL 119 Cb 0.49 0.16 0.00 0.00 -0.91 0.00 0.00 33.84 33.58 1w2b n VAL 119 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1w2b n GLY 120 N 1.01 1.82 3.42 2.92 0.00 -1.01 -4.95 105.19 108.40 1w2b n GLY 120 Ca 0.15 -1.93 -0.30 0.00 0.00 0.00 0.00 46.02 43.94 1w2b n GLY 120 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1w2b s GLU 121 N -1.39 1.68 -0.82 1.61 2.02 -1.26 0.25 118.70 120.79 1w2b s GLU 121 Ca 0.00 -1.20 -0.15 0.00 0.02 0.00 0.00 54.97 53.63 1w2b s GLU 121 Cb 0.00 -2.01 0.19 0.00 0.10 0.00 0.00 34.13 32.40 1w2b s GLU 121 CO 0.00 0.48 0.83 -1.14 0.02 0.00 0.00 175.26 175.45 1w2b s GLN 122 N -1.83 3.53 0.42 1.61 0.74 0.15 -4.89 119.66 119.40 1w2b s GLN 122 Ca 0.15 -2.19 -0.23 0.00 0.05 0.00 0.00 55.36 53.13 1w2b s GLN 122 Cb -0.10 -4.52 -0.11 0.00 1.10 0.00 0.00 33.01 29.38 1w2b s GLN 122 CO 0.06 -1.41 0.81 1.04 -0.55 0.00 0.00 175.29 175.24 1w2b n GLN 123 N 4.76 0.98 -3.67 1.67 6.02 -1.26 -2.38 117.38 123.50 1w2b n GLN 123 Ca 0.13 0.35 -0.14 0.00 -0.01 0.00 0.00 57.00 57.33 1w2b n GLN 123 Cb 0.47 -1.81 -0.07 0.00 1.02 0.00 0.00 30.24 29.85 1w2b n GLN 123 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1w2b s GLY 124 N -0.85 -0.30 0.04 1.08 0.00 -1.14 -4.89 107.32 101.25 1w2b s GLY 124 Ca 0.64 0.57 0.05 0.00 0.00 0.00 0.00 44.72 45.98 1w2b s GLY 124 CO 0.57 0.31 -0.09 -1.60 0.00 0.00 0.00 173.10 172.29 1w2b s ARG 125 N -1.66 2.34 -0.20 2.90 6.06 -1.26 -0.15 118.95 126.98 1w2b s ARG 125 Ca -0.10 -0.86 0.00 0.00 -2.50 0.00 0.00 55.73 52.27 1w2b s ARG 125 Cb -0.03 -2.39 0.05 0.00 0.06 0.00 0.00 34.95 32.64 1w2b s ARG 125 CO 0.04 0.56 -0.06 0.21 -2.50 0.00 0.00 175.30 173.54 1w2b s LYS 126 N -1.71 1.64 0.31 5.12 2.47 -0.76 -4.85 119.74 121.97 1w2b s LYS 126 Ca 0.18 -0.79 -0.29 0.00 -1.56 0.00 0.00 55.97 53.51 1w2b s LYS 126 Cb -0.11 -2.36 -0.12 0.00 -1.46 0.00 0.00 37.83 33.77 1w2b s LYS 126 CO 0.10 -0.51 1.36 -2.30 0.16 0.00 0.00 175.35 174.16 1w2b n PRO 127 N 4.75 2.20 -4.39 4.03 -0.02 -1.26 -1.47 135.00 138.84 1w2b n PRO 127 Ca -0.13 0.78 -0.19 0.00 -2.02 0.00 0.00 63.50 61.94 1w2b n PRO 127 Cb 0.46 -2.41 -0.10 0.00 -0.02 0.00 0.00 33.50 31.43 1w2b n PRO 127 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1w2b s ARG 128 N -1.40 1.55 0.91 -0.52 1.81 0.42 -4.87 118.95 116.85 1w2b s ARG 128 Ca 0.59 -1.86 -0.11 0.00 -1.72 0.00 0.00 55.73 52.64 1w2b s ARG 128 Cb -0.57 -0.56 0.14 0.00 -0.45 0.00 0.00 34.95 33.50 1w2b s ARG 128 CO 0.58 -0.26 1.10 0.00 -0.68 0.00 0.00 175.30 176.04 1w2b s ALA 129 N -3.51 1.43 -0.37 2.13 0.00 -1.26 -2.92 121.76 117.26 1w2b s ALA 129 Ca 0.37 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1w2b s ALA 129 Cb 0.08 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1w2b s ALA 129 CO 0.15 -2.51 0.00 -1.33 0.00 0.00 0.00 175.76 172.06 1w2b n MET 130 N -4.02 -1.14 -3.05 0.00 2.81 -1.26 -3.35 117.12 107.11 1w2b n MET 130 Ca 0.08 0.48 -0.13 0.00 -1.81 0.00 0.00 57.70 56.33 1w2b n MET 130 Cb 0.54 -4.43 0.06 0.00 -0.71 0.00 0.00 33.22 28.68 1w2b n MET 130 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1w2b n GLY 131 N -0.78 -0.14 3.23 3.03 0.00 -1.15 -5.05 105.19 104.33 1w2b n GLY 131 Ca -0.03 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 1w2b n GLY 131 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1w2b s ARG 132 N -5.05 1.00 -0.05 1.61 3.52 -1.15 -4.98 118.95 113.85 1w2b s ARG 132 Ca 0.03 -1.40 0.03 0.00 -0.13 0.00 0.00 55.73 54.27 1w2b s ARG 132 Cb -0.01 -0.55 0.00 0.00 -1.56 0.00 0.00 34.95 32.83 1w2b s ARG 132 CO 0.53 0.06 -0.14 0.00 -0.81 0.00 0.00 175.30 174.94 1w2b s ALA 133 N -3.26 1.32 0.02 6.12 0.00 -1.26 0.16 121.76 124.85 1w2b s ALA 133 Ca 0.14 -0.54 0.04 0.00 0.00 0.00 0.00 51.96 51.60 1w2b s ALA 133 Cb 0.02 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 1w2b s ALA 133 CO -0.00 0.20 -0.08 -1.54 0.00 0.00 0.00 175.76 174.34 1w2b s SER 134 N 0.25 4.52 0.68 0.00 1.04 -0.55 -4.87 113.70 114.76 1w2b s SER 134 Ca -0.07 -0.20 -0.17 0.00 0.48 0.00 0.00 55.95 55.99 1w2b s SER 134 Cb -0.12 -1.00 -0.10 0.00 0.10 0.00 0.00 66.02 64.89 1w2b s SER 134 CO 0.02 0.27 0.05 0.00 0.98 0.00 0.00 173.24 174.56 1w2b n ALA 135 N 1.45 -2.75 -2.74 5.32 0.00 -1.26 -1.82 120.51 118.69 1w2b n ALA 135 Ca -0.15 -0.23 -0.07 0.00 0.00 0.00 0.00 53.44 52.99 1w2b n ALA 135 Cb 0.52 -1.56 0.05 0.00 0.00 0.00 0.00 19.45 18.46 1w2b n ALA 135 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1w2b n TRP 136 N -2.02 -3.20 -3.62 0.00 -0.00 0.78 -4.63 117.44 104.76 1w2b n TRP 136 Ca 0.07 -1.60 -0.22 0.00 -0.00 0.00 0.00 57.50 55.76 1w2b n TRP 136 Cb 0.50 1.52 -0.01 0.00 -0.00 0.00 0.00 31.31 33.31 1w2b n TRP 136 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 1w2b s ASN 137 N -1.15 6.20 -0.12 5.87 0.01 -1.26 -2.91 114.94 121.59 1w2b s ASN 137 Ca 0.31 0.15 -0.01 0.00 -0.71 0.00 0.00 52.86 52.59 1w2b s ASN 137 Cb 0.19 -1.76 -0.02 0.00 0.41 0.00 0.00 41.25 40.07 1w2b s ASN 137 CO -0.20 -0.26 -0.07 -0.44 -1.51 0.00 0.00 177.10 174.61 1w2b s SER 138 N -4.05 4.52 0.24 -1.22 0.01 -1.00 -4.91 113.70 107.29 1w2b s SER 138 Ca 0.39 -0.16 -0.30 0.00 1.31 0.00 0.00 55.95 57.20 1w2b s SER 138 Cb -0.09 -1.56 -0.09 0.00 0.21 0.00 0.00 66.02 64.49 1w2b s SER 138 CO 0.32 0.22 1.18 -2.84 0.41 0.00 0.00 173.24 172.53 1w2b s PRO 139 N 0.04 4.53 -0.28 12.44 0.02 -1.26 0.30 135.00 150.80 1w2b s PRO 139 Ca -0.02 1.90 -0.04 0.00 0.02 0.00 0.00 61.00 62.86 1w2b s PRO 139 Cb -0.14 -3.19 0.02 0.00 0.02 0.00 0.00 34.50 31.21 1w2b s PRO 139 CO 0.03 0.02 0.01 -0.65 -0.33 0.00 0.00 177.00 176.08 1w2b s GLN 140 N -0.95 2.87 0.09 5.54 -0.21 0.68 -3.17 119.66 124.52 1w2b s GLN 140 Ca 0.49 -0.98 0.06 0.00 0.02 0.00 0.00 55.36 54.95 1w2b s GLN 140 Cb -0.33 -3.18 -0.04 0.00 1.00 0.00 0.00 33.01 30.45 1w2b s GLN 140 CO 0.41 -0.46 -0.06 0.08 -2.12 0.00 0.00 175.29 173.14 1w2b s VAL 141 N 1.39 3.62 0.15 1.09 1.01 0.73 0.05 120.40 128.43 1w2b s VAL 141 Ca 0.00 -1.14 0.09 0.00 0.00 0.00 0.00 61.98 60.93 1w2b s VAL 141 Cb -0.17 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 1w2b s VAL 141 CO -0.01 0.13 -0.20 -1.81 0.00 0.00 0.00 175.10 173.21 1w2b s ASP 142 N -2.19 2.77 -0.26 3.32 1.11 -0.41 0.23 116.67 121.24 1w2b s ASP 142 Ca 0.23 -0.82 -0.24 0.00 0.18 0.00 0.00 52.55 51.90 1w2b s ASP 142 Cb -0.11 -0.17 0.07 0.00 1.07 0.00 0.00 42.92 43.78 1w2b s ASP 142 CO 0.15 0.01 0.70 0.54 1.18 0.00 0.00 175.17 177.75 1w2b s VAL 143 N -1.76 -0.00 0.13 -1.27 0.11 -0.83 -0.62 120.40 116.15 1w2b s VAL 143 Ca 0.14 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.24 1w2b s VAL 143 Cb -0.07 -0.97 -0.04 0.00 -1.53 0.00 0.00 36.38 33.77 1w2b s VAL 143 CO 0.06 0.00 0.05 -1.83 -3.33 0.00 0.00 175.10 170.06 1w2b s GLU 144 N 0.44 2.66 -0.07 1.54 -1.05 -0.78 -0.95 118.70 120.48 1w2b s GLU 144 Ca -0.01 -0.89 -0.04 0.00 -0.15 0.00 0.00 54.97 53.89 1w2b s GLU 144 Cb -0.05 -2.56 0.03 0.00 -0.44 0.00 0.00 34.13 31.12 1w2b s GLU 144 CO -0.00 0.51 0.17 -1.17 0.95 0.00 0.00 175.26 175.72 1w2b s LEU 145 N -2.69 0.85 -0.16 1.83 2.96 0.71 -2.47 118.68 119.71 1w2b s LEU 145 Ca 0.28 0.36 -0.01 0.00 -0.22 0.00 0.00 54.13 54.54 1w2b s LEU 145 Cb -0.11 0.51 0.04 0.00 0.50 0.00 0.00 46.19 47.13 1w2b s LEU 145 CO 0.20 -0.12 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.46 1w2b s ILE 146 N 0.87 0.79 0.13 6.68 1.01 0.15 -1.52 121.20 129.31 1w2b s ILE 146 Ca -0.06 -0.47 -0.03 0.00 0.00 0.00 0.00 60.65 60.08 1w2b s ILE 146 Cb -0.08 -1.07 -0.05 0.00 0.01 0.00 0.00 42.46 41.27 1w2b s ILE 146 CO -0.05 0.05 0.34 -0.76 0.00 0.00 0.00 174.94 174.52 1w2b s LEU 147 N 1.76 4.28 -0.00 2.97 1.43 0.19 -0.75 118.68 128.55 1w2b s LEU 147 Ca 0.01 0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 53.58 1w2b s LEU 147 Cb -0.15 -3.23 -0.00 0.00 0.03 0.00 0.00 46.19 42.84 1w2b s LEU 147 CO -0.07 0.07 0.06 -0.70 0.23 0.00 0.00 176.35 175.93 1w2b s GLU 148 N -2.70 0.26 0.27 1.70 2.12 -0.72 -0.76 118.70 118.87 1w2b s GLU 148 Ca 0.40 -0.25 -0.31 0.00 0.36 0.00 0.00 54.97 55.17 1w2b s GLU 148 Cb -0.12 0.10 -0.12 0.00 0.26 0.00 0.00 34.13 34.26 1w2b s GLU 148 CO 0.26 -0.05 1.64 0.39 -0.54 0.00 0.00 175.26 176.96 1w2b n GLU 149 N 2.17 2.75 -0.54 4.30 1.02 -1.00 -2.30 120.64 127.05 1w2b n GLU 149 Ca -0.19 0.98 -0.30 0.00 -0.02 0.00 0.00 57.16 57.64 1w2b n GLU 149 Cb 0.57 -2.79 0.23 0.00 -0.02 0.00 0.00 31.44 29.43 1w2b n GLU 149 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1w2b n PRO 150 N 2.72 -2.31 0.00 3.49 -0.02 -1.26 -4.91 135.00 132.71 1w2b n PRO 150 Ca 0.11 -0.65 0.00 0.00 -2.02 0.00 0.00 63.50 60.94 1w2b n PRO 150 Cb 0.36 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1w2b n PRO 150 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57