#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cma s ILE 2 N 0.00 2.47 0.04 -0.61 -4.36 -1.26 -5.12 121.20 112.35 3cma s ILE 2 Ca 0.00 -0.76 0.02 0.00 -0.26 0.00 0.00 60.65 59.65 3cma s ILE 2 Cb 0.00 -2.71 -0.02 0.00 1.25 0.00 0.00 42.46 40.98 3cma s ILE 2 CO 0.00 0.00 -0.07 -0.44 0.24 0.00 0.00 174.94 174.67 3cma s SER 3 N -4.55 0.73 -0.07 4.36 0.01 -1.26 -5.09 113.70 107.83 3cma s SER 3 Ca 0.60 -0.52 -0.35 0.00 1.31 0.00 0.00 55.95 56.99 3cma s SER 3 Cb -0.08 0.04 -0.13 0.00 0.21 0.00 0.00 66.02 66.06 3cma s SER 3 CO 0.39 -0.21 1.76 -1.22 0.41 0.00 0.00 173.24 174.38 3cma n TYR 4 N 1.55 2.21 1.41 2.43 4.02 -1.26 -4.81 117.16 122.71 3cma n TYR 4 Ca -0.23 0.19 0.08 0.00 -0.01 0.00 0.00 57.90 57.94 3cma n TYR 4 Cb 0.55 -2.58 0.34 0.00 -0.02 0.00 0.00 39.34 37.62 3cma n TYR 4 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3cma n SER 5 N 5.52 1.16 -4.04 7.72 3.41 -1.26 -4.84 113.62 121.30 3cma n SER 5 Ca 0.22 -1.73 -0.16 0.00 -0.26 0.00 0.00 58.87 56.94 3cma n SER 5 Cb 0.25 -0.10 -0.13 0.00 -0.26 0.00 0.00 64.21 63.98 3cma n SER 5 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3cma s VAL 6 N -1.81 0.64 0.48 -3.33 1.01 -1.26 -5.14 120.40 110.99 3cma s VAL 6 Ca 0.26 -0.67 -0.23 0.00 0.00 0.00 0.00 61.98 61.35 3cma s VAL 6 Cb 0.14 -0.60 -0.07 0.00 0.00 0.00 0.00 36.38 35.85 3cma s VAL 6 CO 0.21 -0.05 1.23 -1.61 0.00 0.00 0.00 175.10 174.88 3cma s GLU 7 N -0.79 3.61 -0.12 2.72 2.02 -1.26 -5.04 118.70 119.84 3cma s GLU 7 Ca -0.02 1.94 -0.05 0.00 0.02 0.00 0.00 54.97 56.87 3cma s GLU 7 Cb -0.06 -2.41 0.06 0.00 0.10 0.00 0.00 34.13 31.82 3cma s GLU 7 CO 0.00 -0.72 0.25 0.00 0.02 0.00 0.00 175.26 174.81 3cma s ALA 8 N -1.44 -0.51 -0.27 5.21 0.00 -1.26 -5.11 121.76 118.38 3cma s ALA 8 Ca 0.65 0.89 -0.29 0.00 0.00 0.00 0.00 51.96 53.21 3cma s ALA 8 Cb -0.33 -0.97 -0.01 0.00 0.00 0.00 0.00 23.12 21.81 3cma s ALA 8 CO 0.40 -0.60 1.41 0.34 0.00 0.00 0.00 175.76 177.31 3cma s ASP 9 N 2.33 6.57 0.59 0.00 -1.08 -1.26 -4.90 116.67 118.92 3cma s ASP 9 Ca 0.01 1.36 0.29 0.00 -0.52 0.00 0.00 52.55 53.68 3cma s ASP 9 Cb -0.12 -2.54 1.54 0.00 -1.46 0.00 0.00 42.92 40.35 3cma s ASP 9 CO -0.08 -1.14 1.97 1.55 0.52 0.00 0.00 175.17 177.99 3cma h PRO 10 N 9.80 0.00 0.00 4.34 0.13 -2.00 -1.92 132.00 142.36 3cma h PRO 10 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3cma h PRO 10 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3cma h PRO 10 CO 1.02 0.00 -0.01 -0.25 -0.23 0.00 0.00 178.00 178.53 3cma n ASP 11 N -3.76 0.09 -0.61 1.44 8.00 -1.26 -3.90 116.55 116.55 3cma n ASP 11 Ca 0.06 0.49 0.00 0.00 0.71 0.00 0.00 54.79 56.05 3cma n ASP 11 Cb 0.54 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 3cma n ASP 11 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3cma n THR 12 N -1.57 0.00 -3.81 -3.53 -2.24 -0.80 -5.05 114.28 97.28 3cma n THR 12 Ca 0.07 -0.11 -0.12 0.00 -2.27 0.00 0.00 64.05 61.62 3cma n THR 12 Cb 0.35 0.51 -0.10 0.00 -2.10 0.00 0.00 70.33 68.99 3cma n THR 12 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3cma s THR 13 N 0.00 0.05 0.01 4.28 -1.32 -0.79 -1.76 115.64 116.10 3cma s THR 13 Ca 0.04 -0.41 0.06 0.00 -1.21 0.00 0.00 61.69 60.17 3cma s THR 13 Cb 0.04 -0.48 -0.02 0.00 -1.51 0.00 0.00 72.50 70.54 3cma s THR 13 CO -0.02 -0.22 -0.17 0.00 -2.21 0.00 0.00 174.62 172.00 3cma s ALA 14 N -0.91 1.44 0.39 11.08 0.00 0.03 -4.69 121.76 129.10 3cma s ALA 14 Ca -0.10 -0.81 0.08 0.00 0.00 0.00 0.00 51.96 51.13 3cma s ALA 14 Cb -0.05 -0.33 -0.06 0.00 0.00 0.00 0.00 23.12 22.68 3cma s ALA 14 CO 0.02 0.34 0.04 0.15 0.00 0.00 0.00 175.76 176.31 3cma s LYS 15 N -0.66 2.04 -0.12 0.00 1.02 -1.26 0.11 119.74 120.88 3cma s LYS 15 Ca 0.06 -1.93 -0.30 0.00 0.02 0.00 0.00 55.97 53.82 3cma s LYS 15 Cb -0.07 -1.81 0.11 0.00 -0.52 0.00 0.00 37.83 35.54 3cma s LYS 15 CO 0.00 0.00 0.91 0.00 -0.92 0.00 0.00 175.35 175.35 3cma s ALA 16 N -2.62 -1.88 0.02 5.17 0.00 -0.42 -4.65 121.76 117.37 3cma s ALA 16 Ca 0.36 1.45 -0.11 0.00 0.00 0.00 0.00 51.96 53.66 3cma s ALA 16 Cb 0.05 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.77 3cma s ALA 16 CO 0.19 -0.37 0.24 -1.64 0.00 0.00 0.00 175.76 174.18 3cma s MET 17 N -1.39 0.67 0.08 0.00 -1.94 -1.26 -0.72 119.30 114.74 3cma s MET 17 Ca -0.03 -0.44 0.06 0.00 -1.71 0.00 0.00 55.69 53.57 3cma s MET 17 Cb -0.00 0.29 -0.04 0.00 2.01 0.00 0.00 34.83 37.08 3cma s MET 17 CO 0.02 -0.19 -0.09 -0.51 -0.01 0.00 0.00 175.02 174.24 3cma s LEU 18 N -1.74 3.06 -0.04 -0.03 1.43 -0.07 -4.97 118.68 116.32 3cma s LEU 18 Ca -0.09 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 52.70 3cma s LEU 18 Cb -0.03 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.35 3cma s LEU 18 CO -0.00 0.20 -0.12 -0.13 0.23 0.00 0.00 176.35 176.52 3cma s ARG 19 N -2.05 1.35 -1.35 1.70 1.81 -1.26 -2.70 118.95 116.45 3cma s ARG 19 Ca 0.21 -0.43 -0.00 0.00 -1.72 0.00 0.00 55.73 53.78 3cma s ARG 19 Cb -0.11 -1.21 0.00 0.00 -0.45 0.00 0.00 34.95 33.18 3cma s ARG 19 CO 0.13 0.15 0.01 0.39 -0.68 0.00 0.00 175.30 175.30 3cma n GLU 20 N 3.30 -0.94 -2.66 3.54 1.02 -0.93 -4.86 120.64 119.11 3cma n GLU 20 Ca -0.19 0.08 -0.42 0.00 -0.02 0.00 0.00 57.16 56.61 3cma n GLU 20 Cb 0.53 -3.12 -0.03 0.00 -0.02 0.00 0.00 31.44 28.81 3cma n GLU 20 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3cma s ARG 21 N -6.85 4.46 -0.71 3.49 1.81 0.23 -4.52 118.95 116.87 3cma s ARG 21 Ca 0.01 1.45 -0.24 0.00 -1.72 0.00 0.00 55.73 55.23 3cma s ARG 21 Cb -0.00 -3.50 0.06 0.00 -0.45 0.00 0.00 34.95 31.05 3cma s ARG 21 CO 0.87 -0.23 1.09 -0.65 -0.68 0.00 0.00 175.30 175.70 3cma s GLN 22 N 1.63 3.17 0.07 3.54 -0.21 -1.26 0.31 119.66 126.91 3cma s GLN 22 Ca 0.51 -0.68 -0.27 0.00 0.02 0.00 0.00 55.36 54.94 3cma s GLN 22 Cb -0.21 -4.27 0.08 0.00 1.00 0.00 0.00 33.01 29.62 3cma s GLN 22 CO 0.23 -1.94 0.91 0.00 -2.12 0.00 0.00 175.29 172.37 3cma s MET 23 N 4.60 1.00 0.06 2.91 0.23 -1.24 -5.01 119.30 121.85 3cma s MET 23 Ca 0.28 -0.46 -0.32 0.00 -1.03 0.00 0.00 55.69 54.16 3cma s MET 23 Cb -0.13 0.40 -0.11 0.00 -1.53 0.00 0.00 34.83 33.46 3cma s MET 23 CO 0.10 -0.45 1.87 0.45 -2.03 0.00 0.00 175.02 174.96 3cma n SER 24 N -0.35 3.89 0.03 -1.18 2.88 -1.26 -4.58 113.62 113.05 3cma n SER 24 Ca -0.08 0.97 -0.10 0.00 -1.33 0.00 0.00 58.87 58.33 3cma n SER 24 Cb 0.61 -1.50 0.04 0.00 -0.75 0.00 0.00 64.21 62.62 3cma n SER 24 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 3cma h PHE 25 N 9.06 0.63 -0.65 0.66 3.57 -1.95 -2.50 116.94 125.76 3cma h PHE 25 Ca -0.48 -0.25 -0.04 0.00 3.53 0.00 0.00 57.97 60.73 3cma h PHE 25 Cb 1.24 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.84 3cma h PHE 25 CO 0.84 1.00 0.24 0.87 -2.23 0.00 0.00 178.31 179.03 3cma h LYS 26 N 0.35 0.98 -0.20 1.11 1.57 -2.01 -2.17 116.57 116.20 3cma h LYS 26 Ca -0.02 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.48 3cma h LYS 26 Cb 1.21 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 3cma h LYS 26 CO 0.12 0.84 -0.28 0.45 -0.57 0.00 0.00 179.45 180.01 3cma h HIS 27 N 0.92 0.44 -0.61 -1.35 3.86 -1.93 -2.95 115.15 113.54 3cma h HIS 27 Ca 0.21 -0.10 -0.05 0.00 -1.16 0.00 0.00 60.37 59.28 3cma h HIS 27 Cb 0.23 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.57 3cma h HIS 27 CO 0.02 0.64 0.19 0.77 0.86 0.00 0.00 177.93 180.41 3cma h SER 28 N 0.35 0.89 -0.53 2.45 0.02 -0.95 -0.88 113.55 114.90 3cma h SER 28 Ca 0.05 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.79 3cma h SER 28 Cb 0.68 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.96 3cma h SER 28 CO 0.05 0.86 0.30 0.11 -1.14 0.00 0.00 176.83 177.01 3cma h LYS 29 N 0.87 0.72 -0.35 3.45 1.57 -1.30 -0.11 116.57 121.43 3cma h LYS 29 Ca 0.20 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 58.93 3cma h LYS 29 Cb 0.29 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 3cma h LYS 29 CO -0.01 0.55 0.15 0.00 -0.57 0.00 0.00 179.45 179.57 3cma h ALA 30 N 1.14 0.42 -0.08 3.86 0.00 -1.30 0.26 119.26 123.56 3cma h ALA 30 Ca 0.19 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3cma h ALA 30 Cb 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3cma h ALA 30 CO -0.03 -0.23 -0.04 0.82 0.00 0.00 0.00 179.25 179.76 3cma h ILE 31 N 0.32 1.32 0.28 0.00 2.04 -0.91 -1.70 117.51 118.86 3cma h ILE 31 Ca 0.15 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 64.96 3cma h ILE 31 Cb 0.10 1.86 -0.04 0.00 -0.74 0.00 0.00 36.82 38.00 3cma h ILE 31 CO -0.13 0.29 -0.51 0.00 0.00 0.00 0.00 178.15 177.81 3cma h ALA 32 N 0.63 -1.06 -0.91 1.87 0.00 -0.89 0.01 119.26 118.91 3cma h ALA 32 Ca 0.02 -0.14 0.25 0.00 0.00 0.00 0.00 54.91 55.04 3cma h ALA 32 Cb 0.49 0.82 -0.15 0.00 0.00 0.00 0.00 17.79 18.95 3cma h ALA 32 CO 0.01 -1.14 0.25 -0.09 0.00 0.00 0.00 179.25 178.28 3cma h ARG 33 N -0.84 0.18 -0.32 0.00 2.43 -0.95 -1.03 114.38 113.86 3cma h ARG 33 Ca -0.03 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 58.98 3cma h ARG 33 Cb 0.79 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.29 3cma h ARG 33 CO -0.19 0.12 -0.38 1.49 -1.51 0.00 0.00 179.97 179.50 3cma h GLU 34 N 0.19 0.81 0.00 0.20 4.57 -0.23 -3.33 114.58 116.79 3cma h GLU 34 Ca 0.59 -0.45 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 3cma h GLU 34 Cb 1.22 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 3cma h GLU 34 CO -0.69 1.09 -0.86 -0.84 -1.18 0.00 0.00 179.01 176.53 3cma h ILE 35 N 0.59 0.00 -2.24 2.32 3.07 -0.18 -3.47 117.51 117.61 3cma h ILE 35 Ca 0.04 -0.99 -0.62 0.00 1.55 0.00 0.00 64.86 64.84 3cma h ILE 35 Cb 0.97 1.56 0.07 0.00 -0.27 0.00 0.00 36.82 39.15 3cma h ILE 35 CO 0.09 0.00 0.49 1.17 -1.05 0.00 0.00 178.15 178.85 3cma n LYS 36 N -2.73 1.62 0.00 0.16 4.81 -0.48 -1.05 118.16 120.50 3cma n LYS 36 Ca 0.01 0.58 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 3cma n LYS 36 Cb 0.55 -2.19 0.00 0.00 0.02 0.00 0.00 35.03 33.41 3cma n LYS 36 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3cma n GLY 37 N 2.31 3.20 1.66 3.14 0.00 -0.66 -5.03 105.19 109.80 3cma n GLY 37 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 3cma n GLY 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cma n LYS 38 N -0.91 -1.50 -3.96 1.61 5.02 -0.22 -4.52 118.16 113.69 3cma n LYS 38 Ca 0.00 -0.85 -0.36 0.00 -2.02 0.00 0.00 58.31 55.08 3cma n LYS 38 Cb 0.00 -0.70 -0.08 0.00 -0.02 0.00 0.00 35.03 34.23 3cma n LYS 38 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3cma s THR 39 N -2.05 5.17 0.19 -0.18 2.01 -1.26 -0.75 115.64 118.76 3cma s THR 39 Ca 0.33 0.09 -0.12 0.00 0.31 0.00 0.00 61.69 62.30 3cma s THR 39 Cb -0.02 -3.27 0.22 0.00 0.01 0.00 0.00 72.50 69.44 3cma s THR 39 CO 0.25 0.56 1.22 0.00 -0.69 0.00 0.00 174.62 175.95 3cma n ALA 40 N 2.54 -0.04 0.04 7.40 0.00 -0.52 0.32 120.51 130.25 3cma n ALA 40 Ca -0.18 0.80 -0.12 0.00 0.00 0.00 0.00 53.44 53.93 3cma n ALA 40 Cb 0.54 -0.38 -0.07 0.00 0.00 0.00 0.00 19.45 19.53 3cma n ALA 40 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3cma h GLY 41 N 0.00 -0.02 0.38 0.00 0.00 -1.79 -1.67 103.07 99.97 3cma h GLY 41 Ca 0.29 0.01 0.10 0.00 0.00 0.00 0.00 47.33 47.73 3cma h GLY 41 CO -0.78 -0.01 0.27 0.83 0.00 0.00 0.00 176.54 176.85 3cma h GLU 42 N -0.07 0.45 -0.26 4.80 5.08 -0.42 -0.45 114.58 123.70 3cma h GLU 42 Ca -0.00 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.39 3cma h GLU 42 Cb 0.07 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.16 3cma h GLU 42 CO 0.00 0.30 -0.11 0.00 -1.00 0.00 0.00 179.01 178.20 3cma h ALA 43 N 1.44 0.12 0.13 3.43 0.00 0.03 0.71 119.26 125.12 3cma h ALA 43 Ca 0.33 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 3cma h ALA 43 Cb 0.41 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3cma h ALA 43 CO -0.31 -0.51 -0.06 0.28 0.00 0.00 0.00 179.25 178.65 3cma h VAL 44 N -0.06 0.89 -0.64 0.00 2.07 -0.34 0.15 116.25 118.32 3cma h VAL 44 Ca 0.14 -0.07 0.11 0.00 0.82 0.00 0.00 66.70 67.69 3cma h VAL 44 Cb 0.27 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 3cma h VAL 44 CO -0.31 0.02 0.43 0.44 0.02 0.00 0.00 177.57 178.17 3cma h ASP 45 N -0.21 0.37 0.46 0.57 3.32 -0.80 -0.61 116.42 119.53 3cma h ASP 45 Ca -0.02 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 3cma h ASP 45 Cb 0.17 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3cma h ASP 45 CO 0.03 0.22 -0.22 0.22 -1.72 0.00 0.00 179.24 177.77 3cma h TYR 46 N 0.41 -0.57 -0.74 4.55 3.20 -0.05 -2.15 116.97 121.61 3cma h TYR 46 Ca 0.30 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.33 3cma h TYR 46 Cb 0.63 0.19 -0.05 0.00 1.54 0.00 0.00 36.73 39.04 3cma h TYR 46 CO -0.00 -0.28 0.51 -0.07 -1.64 0.00 0.00 178.16 176.68 3cma h LEU 47 N -1.07 0.28 -0.73 2.82 3.38 -0.29 0.47 115.31 120.17 3cma h LEU 47 Ca -0.06 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 3cma h LEU 47 Cb 0.56 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3cma h LEU 47 CO 0.10 0.14 -0.43 -0.33 0.09 0.00 0.00 178.44 178.01 3cma h GLU 48 N 0.29 0.46 -0.15 1.13 5.08 -1.08 0.10 114.58 120.41 3cma h GLU 48 Ca 0.37 -0.24 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 3cma h GLU 48 Cb 1.01 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 3cma h GLU 48 CO -0.09 0.80 -0.26 0.00 -1.00 0.00 0.00 179.01 178.46 3cma h ALA 49 N 1.17 1.29 0.06 3.43 0.00 0.56 -1.19 119.26 124.57 3cma h ALA 49 Ca 0.03 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3cma h ALA 49 Cb 0.91 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3cma h ALA 49 CO 0.08 0.48 -0.03 0.28 0.00 0.00 0.00 179.25 180.06 3cma h VAL 50 N 0.24 1.27 -0.30 0.00 2.07 -0.62 0.17 116.25 119.08 3cma h VAL 50 Ca 0.04 -1.43 0.09 0.00 0.82 0.00 0.00 66.70 66.21 3cma h VAL 50 Cb 0.59 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 3cma h VAL 50 CO 0.04 0.34 0.25 0.40 0.02 0.00 0.00 177.57 178.63 3cma h ILE 51 N -0.76 0.65 0.00 4.57 2.04 -0.90 0.28 117.51 123.39 3cma h ILE 51 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3cma h ILE 51 Cb 0.62 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3cma h ILE 51 CO 0.01 0.00 -0.39 -0.08 0.00 0.00 0.00 178.15 177.70 3cma h GLU 52 N 0.00 0.00 0.00 2.37 4.57 -1.12 -3.48 114.58 116.92 3cma h GLU 52 Ca 0.14 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 3cma h GLU 52 Cb 0.65 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 3cma h GLU 52 CO -0.00 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.24 3cma n GLY 53 N 1.16 0.72 0.04 1.92 0.00 0.97 -4.94 105.19 105.05 3cma n GLY 53 Ca 0.03 -0.20 0.11 0.00 0.00 0.00 0.00 46.02 45.95 3cma n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cma n ASP 54 N 0.37 0.28 -3.89 1.61 8.00 0.48 -4.84 116.55 118.56 3cma n ASP 54 Ca 0.00 0.04 -0.27 0.00 0.71 0.00 0.00 54.79 55.26 3cma n ASP 54 Cb 0.00 1.51 -0.17 0.00 -0.02 0.00 0.00 41.12 42.44 3cma n ASP 54 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3cma s GLN 55 N -3.44 1.44 0.52 -1.24 2.00 -0.83 -4.97 119.66 113.14 3cma s GLN 55 Ca -0.05 -0.33 -0.08 0.00 -2.00 0.00 0.00 55.36 52.91 3cma s GLN 55 Cb 0.13 -1.71 -0.04 0.00 0.80 0.00 0.00 33.01 32.19 3cma s GLN 55 CO 0.87 -0.33 0.86 -1.25 -0.50 0.00 0.00 175.29 174.95 3cma s PRO 56 N 1.70 3.59 -0.23 1.67 0.04 -1.26 -3.74 135.00 136.76 3cma s PRO 56 Ca 0.03 0.40 -0.07 0.00 0.04 0.00 0.00 61.00 61.41 3cma s PRO 56 Cb -0.13 -2.28 -0.03 0.00 0.04 0.00 0.00 34.50 32.10 3cma s PRO 56 CO -0.08 -0.30 0.05 0.08 0.04 0.00 0.00 177.00 176.78 3cma s VAL 57 N -2.84 4.23 0.17 -0.36 1.01 0.93 -4.90 120.40 118.64 3cma s VAL 57 Ca 0.50 -0.21 -0.32 0.00 0.00 0.00 0.00 61.98 61.96 3cma s VAL 57 Cb -0.10 -2.95 -0.11 0.00 0.00 0.00 0.00 36.38 33.21 3cma s VAL 57 CO 0.46 0.37 1.75 -2.84 0.00 0.00 0.00 175.10 174.85 3cma s PRO 58 N 1.35 4.13 -0.69 2.72 0.02 -1.26 -1.61 135.00 139.66 3cma s PRO 58 Ca 0.05 2.59 -0.07 0.00 0.02 0.00 0.00 61.00 63.58 3cma s PRO 58 Cb -0.15 -3.28 0.18 0.00 0.02 0.00 0.00 34.50 31.27 3cma s PRO 58 CO 0.03 -0.78 0.56 -0.06 -0.33 0.00 0.00 177.00 176.42 3cma s PHE 59 N 1.79 3.54 -0.04 6.54 2.99 -0.94 -4.85 117.98 127.01 3cma s PHE 59 Ca 0.77 -2.40 0.10 0.00 0.00 0.00 0.00 56.93 55.40 3cma s PHE 59 Cb -0.48 -3.45 -0.23 0.00 0.00 0.00 0.00 43.02 38.86 3cma s PHE 59 CO 0.34 -0.90 0.66 0.87 -0.00 0.00 0.00 175.22 176.18 3cma h LYS 60 N 7.38 0.03 0.00 0.44 1.57 -1.93 -3.39 116.57 120.67 3cma h LYS 60 Ca 0.02 -0.05 -0.34 0.00 -1.87 0.00 0.00 60.65 58.41 3cma h LYS 60 Cb 0.99 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.26 3cma h LYS 60 CO 0.74 0.59 -2.23 0.94 -0.57 0.00 0.00 179.45 178.92 3cma n GLN 61 N -3.10 0.51 -3.29 3.15 7.27 -1.26 -4.71 117.38 115.94 3cma n GLN 61 Ca -0.18 0.16 -0.40 0.00 0.07 0.00 0.00 57.00 56.66 3cma n GLN 61 Cb 1.05 -1.37 -0.02 0.00 2.41 0.00 0.00 30.24 32.30 3cma n GLN 61 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 3cma n HIS 62 N -3.48 3.64 -1.12 3.69 8.25 -1.26 -4.76 115.22 120.18 3cma n HIS 62 Ca -0.40 -3.49 0.08 0.00 -0.26 0.00 0.00 57.72 53.65 3cma n HIS 62 Cb 0.87 -1.24 0.11 0.00 1.12 0.00 0.00 29.99 30.84 3cma n HIS 62 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3cma n ASN 63 N 1.80 1.96 -4.69 0.41 6.94 -1.26 -4.93 115.26 115.50 3cma n ASN 63 Ca 0.25 -2.83 -0.42 0.00 -0.02 0.00 0.00 54.58 51.56 3cma n ASN 63 Cb 0.36 -0.36 -0.03 0.00 -2.36 0.00 0.00 39.78 37.40 3cma n ASN 63 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3cma s SER 64 N -2.44 6.52 0.00 0.53 1.04 -1.26 -1.92 113.70 116.17 3cma s SER 64 Ca 0.25 2.60 0.00 0.00 0.48 0.00 0.00 55.95 59.28 3cma s SER 64 Cb 0.22 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.78 3cma s SER 64 CO 0.02 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.90 3cma n GLY 65 N 4.15 2.25 3.74 7.32 0.00 -1.26 -4.98 105.19 116.40 3cma n GLY 65 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3cma n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cma s VAL 66 N -2.70 2.52 0.48 1.61 1.01 -0.81 -4.96 120.40 117.55 3cma s VAL 66 Ca 0.00 0.42 -0.20 0.00 0.00 0.00 0.00 61.98 62.20 3cma s VAL 66 Cb 0.00 -3.27 -0.09 0.00 0.00 0.00 0.00 36.38 33.02 3cma s VAL 66 CO 0.00 0.06 1.01 -0.83 0.00 0.00 0.00 175.10 175.34 3cma s GLY 67 N 0.56 2.44 0.71 4.51 0.00 -1.26 -4.79 107.32 109.49 3cma s GLY 67 Ca 0.63 0.53 -0.13 0.00 0.00 0.00 0.00 44.72 45.74 3cma s GLY 67 CO 0.42 0.83 1.11 0.30 0.00 0.00 0.00 173.10 175.76 3cma s HIS 68 N -2.08 2.54 -0.08 1.90 0.09 -1.26 -4.58 115.29 111.82 3cma s HIS 68 Ca 0.65 1.56 0.01 0.00 -0.00 0.00 0.00 55.06 57.29 3cma s HIS 68 Cb -0.14 -3.15 0.02 0.00 -0.00 0.00 0.00 32.58 29.31 3cma s HIS 68 CO 0.19 -1.81 -0.08 0.15 -0.00 0.00 0.00 174.74 173.19 3cma s LYS 69 N -4.37 1.39 0.25 1.40 -0.14 -0.28 -4.94 119.74 113.06 3cma s LYS 69 Ca 0.65 -0.26 -0.05 0.00 -1.36 0.00 0.00 55.97 54.95 3cma s LYS 69 Cb -0.20 -1.32 0.28 0.00 -1.68 0.00 0.00 37.83 34.91 3cma s LYS 69 CO 0.47 -0.11 1.86 0.66 -0.76 0.00 0.00 175.35 177.47 3cma h SER 70 N 7.50 1.04 0.51 2.83 4.64 -1.96 -2.43 113.55 125.68 3cma h SER 70 Ca -0.31 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3cma h SER 70 Cb 1.16 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 3cma h SER 70 CO 0.44 0.85 0.00 0.11 -0.87 0.00 0.00 176.83 177.36 3cma h LYS 71 N 1.15 0.00 -6.42 4.77 1.57 -1.96 -3.42 116.57 112.26 3cma h LYS 71 Ca 0.29 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.53 3cma h LYS 71 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3cma h LYS 71 CO -0.04 0.00 0.76 0.08 -0.57 0.00 0.00 179.45 179.68 3cma s VAL 72 N -3.48 3.71 -0.19 0.50 1.01 -0.92 -4.95 120.40 116.08 3cma s VAL 72 Ca 0.01 1.15 -0.09 0.00 0.00 0.00 0.00 61.98 63.05 3cma s VAL 72 Cb 0.09 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 3cma s VAL 72 CO 0.36 0.03 0.12 -0.62 0.00 0.00 0.00 175.10 174.98 3cma s ASP 73 N 1.58 6.10 0.00 3.32 2.15 -1.26 -4.33 116.67 124.23 3cma s ASP 73 Ca 0.63 0.21 0.00 0.00 0.43 0.00 0.00 52.55 53.81 3cma s ASP 73 Cb -0.32 -2.06 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 3cma s ASP 73 CO 0.27 0.19 0.00 0.61 -0.17 0.00 0.00 175.17 176.07 3cma n GLY 74 N 3.47 0.63 3.49 2.66 0.00 -1.26 -4.94 105.19 109.24 3cma n GLY 74 Ca -0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 3cma n GLY 74 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3cma s TRP 75 N -2.77 0.63 -0.02 1.61 -0.11 -1.26 -5.12 118.94 111.89 3cma s TRP 75 Ca 0.00 -0.94 -0.06 0.00 1.22 0.00 0.00 56.10 56.32 3cma s TRP 75 Cb 0.00 -0.01 -0.02 0.00 -1.50 0.00 0.00 33.47 31.94 3cma s TRP 75 CO 0.00 -0.94 -0.11 -0.40 -4.62 0.00 0.00 176.95 170.89 3cma n ASP 76 N -0.50 0.95 0.00 5.86 5.68 -1.26 -4.75 116.55 122.54 3cma n ASP 76 Ca -0.00 0.15 0.00 0.00 -0.50 0.00 0.00 54.79 54.43 3cma n ASP 76 Cb 0.63 -0.43 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 3cma n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3cma n ALA 77 N -3.42 0.00 0.00 2.12 0.00 -1.26 -1.12 120.51 116.83 3cma n ALA 77 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3cma n ALA 77 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 3cma n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cma n GLY 78 N 0.00 0.26 0.46 0.00 0.00 -1.26 -2.21 105.19 102.45 3cma n GLY 78 Ca 0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 46.02 45.57 3cma n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cma n ARG 79 N 0.00 0.08 -3.32 1.61 1.74 -0.63 -4.75 116.66 111.38 3cma n ARG 79 Ca 0.00 -0.44 -0.26 0.00 -0.77 0.00 0.00 57.85 56.38 3cma n ARG 79 Cb 0.00 0.38 -0.08 0.00 -1.02 0.00 0.00 32.46 31.75 3cma n ARG 79 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3cma n TYR 80 N -0.09 2.15 -2.00 -1.55 4.02 -1.26 -0.05 117.16 118.38 3cma n TYR 80 Ca 0.01 -3.93 -0.26 0.00 -0.01 0.00 0.00 57.90 53.71 3cma n TYR 80 Cb 0.08 -0.48 -0.06 0.00 -0.02 0.00 0.00 39.34 38.86 3cma n TYR 80 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 3cma s PRO 81 N -2.02 2.39 0.30 -0.72 0.04 -1.26 -4.80 135.00 128.93 3cma s PRO 81 Ca 0.38 -0.62 0.01 0.00 0.04 0.00 0.00 61.00 60.82 3cma s PRO 81 Cb 0.16 -5.12 0.46 0.00 0.04 0.00 0.00 34.50 30.04 3cma s PRO 81 CO -0.05 -3.82 1.81 1.05 0.04 0.00 0.00 177.00 176.03 3cma h GLU 82 N 10.74 0.66 0.39 4.56 4.11 -1.91 -1.82 114.58 131.29 3cma h GLU 82 Ca 0.14 -0.16 -0.02 0.00 0.07 0.00 0.00 59.36 59.39 3cma h GLU 82 Cb 0.98 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.15 3cma h GLU 82 CO 1.19 0.68 -0.19 -0.22 0.07 0.00 0.00 179.01 180.55 3cma h LYS 83 N 0.62 -0.50 -0.41 1.06 3.64 -2.00 0.54 116.57 119.52 3cma h LYS 83 Ca 0.13 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.48 3cma h LYS 83 Cb 0.40 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 3cma h LYS 83 CO 0.02 -0.28 0.00 0.00 -2.27 0.00 0.00 179.45 176.92 3cma h ALA 84 N -0.03 1.23 -0.42 5.00 0.00 -1.93 -2.03 119.26 121.08 3cma h ALA 84 Ca -0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3cma h ALA 84 Cb 0.45 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3cma h ALA 84 CO 0.09 0.51 0.20 0.77 0.00 0.00 0.00 179.25 180.82 3cma h SER 85 N 0.63 0.55 -0.86 0.00 0.02 -1.16 -1.67 113.55 111.06 3cma h SER 85 Ca 0.13 -0.13 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 3cma h SER 85 Cb 0.39 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.74 3cma h SER 85 CO 0.01 0.52 0.56 0.11 -1.14 0.00 0.00 176.83 176.90 3cma h LYS 86 N 0.54 1.09 -0.20 3.45 1.57 -0.52 -0.54 116.57 121.96 3cma h LYS 86 Ca 0.14 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 3cma h LYS 86 Cb 0.12 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3cma h LYS 86 CO -0.02 0.72 -0.04 0.00 -0.57 0.00 0.00 179.45 179.54 3cma h ALA 87 N 1.33 1.57 -0.00 3.86 0.00 -0.99 -1.39 119.26 123.63 3cma h ALA 87 Ca 0.33 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 3cma h ALA 87 Cb -0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3cma h ALA 87 CO -0.09 0.32 -0.74 0.74 0.00 0.00 0.00 179.25 179.48 3cma h PHE 88 N 0.28 0.04 -0.59 0.00 -1.00 -0.30 -2.40 116.94 112.99 3cma h PHE 88 Ca 0.06 -0.02 -0.08 0.00 2.81 0.00 0.00 57.97 60.74 3cma h PHE 88 Cb 0.27 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.80 3cma h PHE 88 CO 0.01 0.76 0.04 -0.07 -1.61 0.00 0.00 178.31 177.43 3cma h LEU 89 N 0.02 0.96 -1.32 1.54 3.38 -0.11 0.36 115.31 120.14 3cma h LEU 89 Ca -0.01 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 3cma h LEU 89 Cb 1.30 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 3cma h LEU 89 CO 0.10 1.00 -0.17 0.44 0.09 0.00 0.00 178.44 179.90 3cma h ASP 90 N 0.92 0.24 -0.06 -0.43 5.19 -1.16 0.19 116.42 121.31 3cma h ASP 90 Ca 0.17 -0.06 -0.03 0.00 -0.62 0.00 0.00 57.03 56.50 3cma h ASP 90 Cb 0.49 -0.06 -0.00 0.00 0.18 0.00 0.00 39.33 39.93 3cma h ASP 90 CO 0.02 0.43 -0.09 0.25 -3.12 0.00 0.00 179.24 176.73 3cma h LEU 91 N 0.23 0.18 -1.19 1.55 5.85 -0.83 -2.09 115.31 119.01 3cma h LEU 91 Ca 0.04 -0.53 -0.07 0.00 0.84 0.00 0.00 57.88 58.17 3cma h LEU 91 Cb 0.44 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 3cma h LEU 91 CO 0.03 0.67 -0.18 -0.07 -0.34 0.00 0.00 178.44 178.55 3cma h LEU 92 N -0.31 0.34 0.01 2.25 3.38 -0.68 0.30 115.31 120.60 3cma h LEU 92 Ca 0.01 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.89 3cma h LEU 92 Cb 0.63 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3cma h LEU 92 CO 0.02 0.54 -0.04 -0.08 0.09 0.00 0.00 178.44 178.96 3cma h GLU 93 N 0.32 -0.08 -0.36 1.13 4.81 -0.57 0.62 114.58 120.45 3cma h GLU 93 Ca 0.06 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3cma h GLU 93 Cb 0.50 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 3cma h GLU 93 CO 0.03 -0.06 0.18 -0.97 -0.73 0.00 0.00 179.01 177.46 3cma h ASN 94 N -0.09 0.46 0.50 1.04 -1.24 -0.71 -0.71 115.58 114.83 3cma h ASN 94 Ca 0.02 -0.12 -0.02 0.00 0.71 0.00 0.00 56.30 56.88 3cma h ASN 94 Cb 0.10 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.03 3cma h ASN 94 CO -0.04 0.45 -0.29 0.00 -1.29 0.00 0.00 177.43 176.27 3cma h ALA 95 N 1.03 -1.14 -0.85 1.57 0.00 -0.07 -1.21 119.26 118.59 3cma h ALA 95 Ca 0.12 -0.15 0.16 0.00 0.00 0.00 0.00 54.91 55.04 3cma h ALA 95 Cb 0.11 0.37 -0.10 0.00 0.00 0.00 0.00 17.79 18.17 3cma h ALA 95 CO -0.02 -1.11 0.42 0.28 0.00 0.00 0.00 179.25 178.82 3cma h VAL 96 N -0.73 0.68 0.29 0.00 2.07 -0.93 0.19 116.25 117.83 3cma h VAL 96 Ca -0.07 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 3cma h VAL 96 Cb 0.58 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3cma h VAL 96 CO 0.08 0.10 -0.49 1.23 0.02 0.00 0.00 177.57 178.51 3cma h GLY 97 N 0.57 -1.21 -0.04 2.17 0.00 -0.94 0.27 103.07 103.90 3cma h GLY 97 Ca 0.47 0.61 0.02 0.00 0.00 0.00 0.00 47.33 48.44 3cma h GLY 97 CO -0.39 -0.32 -0.54 3.43 0.00 0.00 0.00 176.54 178.71 3cma h ASN 98 N -0.83 -1.68 -0.91 0.19 -0.26 -0.38 -0.16 115.58 111.55 3cma h ASN 98 Ca -0.03 0.19 0.18 0.00 -0.56 0.00 0.00 56.30 56.08 3cma h ASN 98 Cb 0.77 0.64 -0.17 0.00 -1.06 0.00 0.00 38.32 38.50 3cma h ASN 98 CO -0.17 -0.52 -0.23 0.00 -1.06 0.00 0.00 177.43 175.46 3cma n ALA 99 N -2.98 0.21 0.13 -0.83 0.00 -0.02 -0.21 120.51 116.81 3cma n ALA 99 Ca -0.07 1.00 -0.14 0.00 0.00 0.00 0.00 53.44 54.23 3cma n ALA 99 Cb 0.39 -0.60 -0.08 0.00 0.00 0.00 0.00 19.45 19.17 3cma n ALA 99 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3cma h ASP 100 N 0.00 -0.25 0.00 0.00 3.32 0.34 -1.93 116.42 117.91 3cma h ASP 100 Ca 0.43 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.35 3cma h ASP 100 Cb 0.66 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.27 3cma h ASP 100 CO -0.93 -0.01 0.14 1.57 -1.72 0.00 0.00 179.24 178.29 3cma n HIS 101 N -5.13 0.00 0.72 4.55 -0.00 0.71 0.95 115.22 117.01 3cma n HIS 101 Ca -0.09 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.16 3cma n HIS 101 Cb 0.20 -0.33 -0.04 0.00 -0.12 0.00 0.00 29.99 29.71 3cma n HIS 101 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 3cma n GLN 102 N -1.32 1.80 0.00 1.57 6.02 -0.54 -4.99 117.38 119.92 3cma n GLN 102 Ca 0.00 -0.48 0.00 0.00 -0.01 0.00 0.00 57.00 56.51 3cma n GLN 102 Cb 0.14 -1.25 0.00 0.00 1.02 0.00 0.00 30.24 30.15 3cma n GLN 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3cma n GLY 103 N 1.23 2.32 3.27 1.08 0.00 0.27 -5.09 105.19 108.28 3cma n GLY 103 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 3cma n GLY 103 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3cma n PHE 104 N -0.55 -3.84 -3.62 1.61 3.01 -0.82 -4.94 117.46 108.32 3cma n PHE 104 Ca 0.00 -0.87 -0.39 0.00 1.01 0.00 0.00 57.45 57.20 3cma n PHE 104 Cb 0.00 -1.21 -0.07 0.00 -0.01 0.00 0.00 39.48 38.18 3cma n PHE 104 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3cma s ASP 105 N -3.54 5.69 0.00 4.37 -1.08 -1.26 -4.31 116.67 116.54 3cma s ASP 105 Ca 0.68 -3.01 -0.01 0.00 -0.52 0.00 0.00 52.55 49.70 3cma s ASP 105 Cb -0.10 -1.94 -0.00 0.00 -1.46 0.00 0.00 42.92 39.42 3cma s ASP 105 CO 0.55 -0.37 0.71 0.61 0.52 0.00 0.00 175.17 177.19 3cma n GLY 106 N 3.34 -2.17 0.23 2.66 0.00 -1.26 -1.98 105.19 106.02 3cma n GLY 106 Ca 0.12 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.56 3cma n GLY 106 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3cma h GLU 107 N 0.00 0.38 -0.06 1.61 5.08 -1.94 -2.02 114.58 117.62 3cma h GLU 107 Ca 0.00 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3cma h GLU 107 Cb 0.01 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 3cma h GLU 107 CO -0.02 0.25 0.06 0.00 -1.00 0.00 0.00 179.01 178.30 3cma h ALA 108 N 1.43 1.83 -3.06 3.43 0.00 -1.80 -2.81 119.26 118.27 3cma h ALA 108 Ca 0.31 -0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.66 3cma h ALA 108 Cb 0.39 0.00 0.16 0.00 0.00 0.00 0.00 17.79 18.35 3cma h ALA 108 CO -0.32 -0.09 0.51 -1.64 0.00 0.00 0.00 179.25 177.71 3cma s MET 109 N -4.84 2.49 0.09 0.00 -1.94 -0.76 -4.59 119.30 109.74 3cma s MET 109 Ca -0.05 2.05 -0.08 0.00 -1.71 0.00 0.00 55.69 55.90 3cma s MET 109 Cb 0.16 -1.84 -0.06 0.00 2.01 0.00 0.00 34.83 35.11 3cma s MET 109 CO 0.61 -1.64 0.37 0.99 -0.01 0.00 0.00 175.02 175.34 3cma s THR 110 N -1.44 5.15 -0.96 2.05 2.01 -0.35 -1.44 115.64 120.66 3cma s THR 110 Ca 0.82 0.29 -0.22 0.00 0.31 0.00 0.00 61.69 62.89 3cma s THR 110 Cb -0.37 -3.63 0.07 0.00 0.01 0.00 0.00 72.50 68.58 3cma s THR 110 CO 0.40 0.23 1.35 -0.63 -0.69 0.00 0.00 174.62 175.28 3cma s ILE 111 N -1.46 4.08 0.12 1.82 1.01 0.07 -0.73 121.20 126.12 3cma s ILE 111 Ca 0.34 -0.81 -0.14 0.00 0.00 0.00 0.00 60.65 60.05 3cma s ILE 111 Cb -0.13 -4.98 -0.04 0.00 0.01 0.00 0.00 42.46 37.33 3cma s ILE 111 CO 0.19 -1.83 1.51 0.50 0.00 0.00 0.00 174.94 175.32 3cma h LYS 112 N 9.61 0.79 -3.52 2.79 3.64 -1.13 -1.76 116.57 126.99 3cma h LYS 112 Ca 0.13 -0.33 -0.14 0.00 -1.27 0.00 0.00 60.65 59.04 3cma h LYS 112 Cb 1.02 -0.03 -0.20 0.00 -0.41 0.00 0.00 32.23 32.60 3cma h LYS 112 CO 1.34 0.95 -0.49 -1.58 -2.27 0.00 0.00 179.45 177.40 3cma s HIS 113 N -4.68 0.05 -0.30 1.91 5.04 -1.05 -4.82 115.29 111.44 3cma s HIS 113 Ca -0.12 -0.15 -0.14 0.00 -1.54 0.00 0.00 55.06 53.11 3cma s HIS 113 Cb 0.10 -0.05 0.18 0.00 0.04 0.00 0.00 32.58 32.85 3cma s HIS 113 CO 0.83 -0.29 1.10 0.54 -2.34 0.00 0.00 174.74 174.58 3cma s VAL 114 N -1.42 -0.20 0.03 0.89 0.11 -1.24 -0.40 120.40 118.17 3cma s VAL 114 Ca -0.15 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 58.93 3cma s VAL 114 Cb -0.08 -0.52 -0.02 0.00 -1.53 0.00 0.00 36.38 34.24 3cma s VAL 114 CO 0.01 0.00 -0.09 0.00 -3.33 0.00 0.00 175.10 171.69 3cma s ALA 115 N 2.97 0.76 0.03 1.54 0.00 -1.00 -4.65 121.76 121.40 3cma s ALA 115 Ca 0.15 -0.63 -0.01 0.00 0.00 0.00 0.00 51.96 51.48 3cma s ALA 115 Cb -0.04 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 3cma s ALA 115 CO -0.17 0.11 0.18 0.00 0.00 0.00 0.00 175.76 175.87 3cma s ALA 116 N -0.81 3.92 -0.03 0.00 0.00 -1.26 -1.69 121.76 121.88 3cma s ALA 116 Ca -0.02 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.12 3cma s ALA 116 Cb -0.07 -1.80 0.03 0.00 0.00 0.00 0.00 23.12 21.28 3cma s ALA 116 CO 0.00 0.78 -0.01 -1.01 0.00 0.00 0.00 175.76 175.52 3cma s HIS 117 N -1.39 0.43 -0.31 0.00 3.76 0.81 -4.95 115.29 113.64 3cma s HIS 117 Ca 0.30 -0.06 -0.29 0.00 -0.15 0.00 0.00 55.06 54.87 3cma s HIS 117 Cb -0.13 -0.48 -0.01 0.00 1.11 0.00 0.00 32.58 33.08 3cma s HIS 117 CO 0.22 -0.15 1.52 0.21 -0.85 0.00 0.00 174.74 175.70 3cma s LYS 118 N 0.99 3.69 0.00 1.40 2.20 -1.26 -1.32 119.74 125.44 3cma s LYS 118 Ca -0.10 1.34 0.25 0.00 -0.36 0.00 0.00 55.97 57.10 3cma s LYS 118 Cb -0.14 -4.02 0.53 0.00 -1.51 0.00 0.00 37.83 32.69 3cma s LYS 118 CO -0.01 -1.42 1.43 0.28 -0.36 0.00 0.00 175.35 175.26 3cma n VAL 119 N 6.71 0.00 -1.05 4.02 0.31 0.15 -4.95 118.33 123.52 3cma n VAL 119 Ca 0.18 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 3cma n VAL 119 Cb 0.46 0.37 0.00 0.00 -0.91 0.00 0.00 33.84 33.76 3cma n VAL 119 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3cma n GLY 120 N 1.45 -1.10 3.11 2.92 0.00 -1.07 -4.96 105.19 105.54 3cma n GLY 120 Ca 0.08 -1.52 -0.22 0.00 0.00 0.00 0.00 46.02 44.35 3cma n GLY 120 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cma s GLU 121 N -1.79 1.10 -0.36 1.61 2.02 -1.26 0.10 118.70 120.12 3cma s GLU 121 Ca 0.00 -0.52 -0.20 0.00 0.02 0.00 0.00 54.97 54.28 3cma s GLU 121 Cb 0.00 -1.07 0.00 0.00 0.10 0.00 0.00 34.13 33.17 3cma s GLU 121 CO 0.00 0.29 0.59 -1.14 0.02 0.00 0.00 175.26 175.02 3cma s GLN 122 N -0.40 3.62 0.35 1.61 0.74 0.15 -4.89 119.66 120.84 3cma s GLN 122 Ca 0.05 -0.06 -0.26 0.00 0.05 0.00 0.00 55.36 55.14 3cma s GLN 122 Cb -0.06 -3.82 -0.09 0.00 1.10 0.00 0.00 33.01 30.14 3cma s GLN 122 CO -0.00 -0.72 1.04 -0.65 -0.55 0.00 0.00 175.29 174.41 3cma s GLN 123 N 2.59 4.38 0.13 1.67 -0.21 -1.26 -0.99 119.66 125.97 3cma s GLN 123 Ca 0.22 1.56 -0.07 0.00 0.02 0.00 0.00 55.36 57.09 3cma s GLN 123 Cb -0.15 -2.78 -0.01 0.00 1.00 0.00 0.00 33.01 31.07 3cma s GLN 123 CO 0.14 0.04 0.20 0.20 -2.12 0.00 0.00 175.29 173.75 3cma s GLY 124 N -1.37 0.43 0.02 3.09 0.00 -1.17 -4.94 107.32 103.38 3cma s GLY 124 Ca 0.52 -0.91 0.05 0.00 0.00 0.00 0.00 44.72 44.38 3cma s GLY 124 CO 0.31 -0.94 -0.14 -1.60 0.00 0.00 0.00 173.10 170.73 3cma s ARG 125 N -3.94 1.02 -0.10 2.90 6.06 -1.26 -1.08 118.95 122.54 3cma s ARG 125 Ca 0.14 -0.63 0.00 0.00 -2.50 0.00 0.00 55.73 52.73 3cma s ARG 125 Cb 0.05 -1.01 0.02 0.00 0.06 0.00 0.00 34.95 34.07 3cma s ARG 125 CO -0.04 0.26 -0.08 0.21 -2.50 0.00 0.00 175.30 173.15 3cma s LYS 126 N -0.76 1.50 0.32 5.12 2.47 -0.28 -4.83 119.74 123.28 3cma s LYS 126 Ca 0.03 -0.27 -0.29 0.00 -1.56 0.00 0.00 55.97 53.89 3cma s LYS 126 Cb -0.07 -1.50 -0.11 0.00 -1.46 0.00 0.00 37.83 34.70 3cma s LYS 126 CO 0.00 -0.20 1.52 -2.14 0.16 0.00 0.00 175.35 174.69 3cma s PRO 127 N 1.47 4.15 0.43 4.03 0.02 -1.26 -1.27 135.00 142.57 3cma s PRO 127 Ca 0.00 2.52 0.04 0.00 0.02 0.00 0.00 61.00 63.58 3cma s PRO 127 Cb -0.13 -3.02 -0.05 0.00 0.02 0.00 0.00 34.50 31.32 3cma s PRO 127 CO -0.05 -0.54 0.03 1.03 -0.33 0.00 0.00 177.00 177.14 3cma s ARG 128 N -1.16 1.98 0.93 5.54 1.81 0.32 -4.89 118.95 123.48 3cma s ARG 128 Ca 0.58 -2.18 -0.11 0.00 -1.72 0.00 0.00 55.73 52.29 3cma s ARG 128 Cb -0.46 -1.33 0.15 0.00 -0.45 0.00 0.00 34.95 32.86 3cma s ARG 128 CO 0.53 -0.24 1.09 0.00 -0.68 0.00 0.00 175.30 176.01 3cma s ALA 129 N -2.93 1.30 -1.33 2.13 0.00 -1.26 -3.70 121.76 115.97 3cma s ALA 129 Ca 0.24 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.26 3cma s ALA 129 Cb 0.06 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.93 3cma s ALA 129 CO 0.12 -2.59 0.00 -1.33 0.00 0.00 0.00 175.76 171.96 3cma n MET 130 N -4.06 -0.94 -1.83 0.00 2.81 -1.26 -3.36 117.12 108.48 3cma n MET 130 Ca 0.07 0.89 -0.08 0.00 -1.81 0.00 0.00 57.70 56.77 3cma n MET 130 Cb 0.54 -4.98 -0.02 0.00 -0.71 0.00 0.00 33.22 28.05 3cma n MET 130 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3cma n GLY 131 N -1.29 0.38 3.36 3.03 0.00 -1.25 -5.04 105.19 104.38 3cma n GLY 131 Ca -0.14 -0.58 -0.27 0.00 0.00 0.00 0.00 46.02 45.03 3cma n GLY 131 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cma s ARG 132 N -3.81 1.32 0.11 1.61 3.52 -1.21 -5.01 118.95 115.47 3cma s ARG 132 Ca 0.00 -1.32 0.08 0.00 -0.13 0.00 0.00 55.73 54.35 3cma s ARG 132 Cb 0.00 -1.69 -0.04 0.00 -1.56 0.00 0.00 34.95 31.67 3cma s ARG 132 CO 0.00 0.39 -0.19 0.00 -0.81 0.00 0.00 175.30 174.69 3cma s ALA 133 N -1.26 1.73 0.37 6.12 0.00 -1.26 0.12 121.76 127.57 3cma s ALA 133 Ca 0.13 -1.25 0.04 0.00 0.00 0.00 0.00 51.96 50.88 3cma s ALA 133 Cb -0.09 -0.21 -0.06 0.00 0.00 0.00 0.00 23.12 22.76 3cma s ALA 133 CO 0.06 0.31 0.05 -1.54 0.00 0.00 0.00 175.76 174.64 3cma s SER 134 N -2.02 2.88 0.44 0.00 1.04 -0.40 -4.90 113.70 110.75 3cma s SER 134 Ca 0.07 -1.43 -0.24 0.00 0.48 0.00 0.00 55.95 54.83 3cma s SER 134 Cb -0.09 -0.05 -0.08 0.00 0.10 0.00 0.00 66.02 65.90 3cma s SER 134 CO 0.04 -0.62 1.21 0.00 0.98 0.00 0.00 173.24 174.85 3cma s ALA 135 N -3.12 3.07 -0.45 5.32 0.00 -1.26 -1.12 121.76 124.19 3cma s ALA 135 Ca 0.33 1.03 0.06 0.00 0.00 0.00 0.00 51.96 53.38 3cma s ALA 135 Cb 0.08 -3.42 0.21 0.00 0.00 0.00 0.00 23.12 20.00 3cma s ALA 135 CO 0.15 -0.71 0.61 1.87 0.00 0.00 0.00 175.76 177.68 3cma n TRP 136 N -0.25 -2.01 -2.87 0.00 -0.00 -0.24 -4.73 117.44 107.34 3cma n TRP 136 Ca 0.06 -2.57 -0.19 0.00 -0.00 0.00 0.00 57.50 54.80 3cma n TRP 136 Cb 0.46 0.68 0.02 0.00 -0.00 0.00 0.00 31.31 32.48 3cma n TRP 136 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 3cma s ASN 137 N -0.54 5.51 -0.09 5.87 0.01 -1.26 -3.01 114.94 121.43 3cma s ASN 137 Ca 0.33 -0.24 0.04 0.00 -0.71 0.00 0.00 52.86 52.27 3cma s ASN 137 Cb 0.11 -0.77 0.00 0.00 0.41 0.00 0.00 41.25 41.01 3cma s ASN 137 CO -0.15 -0.91 -0.21 -0.44 -1.51 0.00 0.00 177.10 173.88 3cma s SER 138 N -4.37 2.76 0.63 -1.22 0.01 -0.16 -4.94 113.70 106.40 3cma s SER 138 Ca 0.56 -0.49 -0.16 0.00 1.31 0.00 0.00 55.95 57.16 3cma s SER 138 Cb -0.10 -1.21 -0.01 0.00 0.21 0.00 0.00 66.02 64.90 3cma s SER 138 CO 0.35 0.14 1.12 -2.84 0.41 0.00 0.00 173.24 172.42 3cma s PRO 139 N 0.37 2.92 -0.20 12.44 0.02 -1.26 0.30 135.00 149.59 3cma s PRO 139 Ca -0.17 1.47 0.01 0.00 0.02 0.00 0.00 61.00 62.33 3cma s PRO 139 Cb -0.17 -1.96 0.03 0.00 0.02 0.00 0.00 34.50 32.42 3cma s PRO 139 CO 0.07 -1.17 -0.16 -0.65 -0.33 0.00 0.00 177.00 174.77 3cma s GLN 140 N -3.87 2.58 -0.08 5.54 -0.21 0.28 -3.70 119.66 120.20 3cma s GLN 140 Ca 0.69 -0.93 0.02 0.00 0.02 0.00 0.00 55.36 55.16 3cma s GLN 140 Cb -0.22 -2.57 -0.02 0.00 1.00 0.00 0.00 33.01 31.19 3cma s GLN 140 CO 0.38 -0.33 -0.13 0.08 -2.12 0.00 0.00 175.29 173.17 3cma s VAL 141 N 1.28 3.17 0.15 1.09 1.01 0.15 0.32 120.40 127.56 3cma s VAL 141 Ca 0.01 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.41 3cma s VAL 141 Cb -0.15 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 3cma s VAL 141 CO -0.10 0.57 -0.08 -1.81 0.00 0.00 0.00 175.10 173.67 3cma s ASP 142 N -0.33 4.40 -0.23 3.32 1.11 -0.43 0.75 116.67 125.25 3cma s ASP 142 Ca 0.03 -0.47 -0.18 0.00 0.18 0.00 0.00 52.55 52.12 3cma s ASP 142 Cb -0.13 -0.82 0.06 0.00 1.07 0.00 0.00 42.92 43.11 3cma s ASP 142 CO 0.02 0.13 0.58 0.54 1.18 0.00 0.00 175.17 177.63 3cma s VAL 143 N -1.50 -0.00 -0.00 -1.27 0.11 -1.10 -0.14 120.40 116.49 3cma s VAL 143 Ca 0.24 0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.33 3cma s VAL 143 Cb -0.10 -0.83 -0.03 0.00 -1.53 0.00 0.00 36.38 33.89 3cma s VAL 143 CO 0.15 0.01 -0.06 -1.83 -3.33 0.00 0.00 175.10 170.04 3cma s GLU 144 N 0.77 2.61 -0.02 1.54 -1.05 -0.68 -0.89 118.70 120.98 3cma s GLU 144 Ca -0.04 -0.69 0.01 0.00 -0.15 0.00 0.00 54.97 54.11 3cma s GLU 144 Cb -0.05 -2.54 0.01 0.00 -0.44 0.00 0.00 34.13 31.11 3cma s GLU 144 CO -0.06 0.61 -0.03 -1.17 0.95 0.00 0.00 175.26 175.56 3cma s LEU 145 N -1.38 1.67 -0.09 1.83 2.96 0.10 -2.37 118.68 121.40 3cma s LEU 145 Ca 0.17 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 54.01 3cma s LEU 145 Cb -0.11 -0.27 0.02 0.00 0.50 0.00 0.00 46.19 46.33 3cma s LEU 145 CO 0.07 -0.00 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.38 3cma s ILE 146 N 0.37 0.98 0.01 6.68 1.01 0.46 -1.30 121.20 129.41 3cma s ILE 146 Ca -0.04 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.30 3cma s ILE 146 Cb -0.07 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 3cma s ILE 146 CO -0.00 0.34 0.08 -0.76 0.00 0.00 0.00 174.94 174.59 3cma s LEU 147 N 1.27 3.86 -0.02 2.97 1.43 0.12 -0.53 118.68 127.78 3cma s LEU 147 Ca -0.04 0.11 -0.02 0.00 -1.03 0.00 0.00 54.13 53.16 3cma s LEU 147 Cb -0.14 -2.30 0.01 0.00 0.03 0.00 0.00 46.19 43.79 3cma s LEU 147 CO -0.03 0.25 0.05 -0.70 0.23 0.00 0.00 176.35 176.16 3cma s GLU 148 N -1.85 0.05 0.16 1.70 2.12 0.09 -0.79 118.70 120.19 3cma s GLU 148 Ca 0.24 0.09 -0.34 0.00 0.36 0.00 0.00 54.97 55.32 3cma s GLU 148 Cb -0.12 0.00 -0.15 0.00 0.26 0.00 0.00 34.13 34.12 3cma s GLU 148 CO 0.15 -0.02 1.38 0.39 -0.54 0.00 0.00 175.26 176.62 3cma n GLU 149 N 3.18 1.62 0.00 4.30 1.02 -0.73 -1.21 120.64 128.82 3cma n GLU 149 Ca -0.14 0.58 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 3cma n GLU 149 Cb 0.59 -2.23 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 3cma n GLU 149 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96