#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cmc n GLU 2 N 0.00 -1.47 -1.79 0.00 0.28 -1.26 -4.98 120.64 111.43 1cmc n GLU 2 Ca 0.00 -0.91 -0.42 0.00 -0.16 0.00 0.00 57.16 55.67 1cmc n GLU 2 Cb 0.00 -0.74 -0.02 0.00 1.43 0.00 0.00 31.44 32.11 1cmc n GLU 2 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 177.13 176.51 1cmc s TRP 3 N -2.15 2.84 0.26 -1.84 -0.00 -1.26 -4.92 118.94 111.88 1cmc s TRP 3 Ca 0.35 0.63 0.32 0.00 -0.00 0.00 0.00 56.10 57.41 1cmc s TRP 3 Cb -0.02 -4.07 1.47 0.00 -0.00 0.00 0.00 33.47 30.85 1cmc s TRP 3 CO 0.26 -3.77 2.04 0.66 -0.00 0.00 0.00 176.95 176.13 1cmc h SER 4 N 5.67 0.00 0.00 5.86 4.64 -1.94 -3.47 113.55 124.31 1cmc h SER 4 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1cmc h SER 4 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1cmc h SER 4 CO 0.86 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 177.49 1cmc n GLY 5 N -0.27 0.76 3.48 -0.77 0.00 -1.26 -4.93 105.19 102.20 1cmc n GLY 5 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1cmc n GLY 5 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1cmc n GLU 6 N -2.28 3.26 -1.72 1.61 1.02 -1.26 -4.80 120.64 116.47 1cmc n GLU 6 Ca 0.00 -3.47 -0.43 0.00 -0.02 0.00 0.00 57.16 53.24 1cmc n GLU 6 Cb 0.00 -3.31 -0.03 0.00 -0.02 0.00 0.00 31.44 28.09 1cmc n GLU 6 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1cmc n TYR 7 N 7.16 2.69 -5.17 -0.32 9.36 -1.26 -5.02 117.16 124.60 1cmc n TYR 7 Ca 0.44 0.17 -0.32 0.00 3.32 0.00 0.00 57.90 61.51 1cmc n TYR 7 Cb 0.44 -2.62 -0.17 0.00 -0.63 0.00 0.00 39.34 36.37 1cmc n TYR 7 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1cmc s ILE 8 N 0.65 2.19 0.11 2.97 1.01 -1.26 -4.79 121.20 122.07 1cmc s ILE 8 Ca 0.71 -0.98 -0.31 0.00 0.00 0.00 0.00 60.65 60.07 1cmc s ILE 8 Cb -0.53 -1.84 -0.07 0.00 0.01 0.00 0.00 42.46 40.03 1cmc s ILE 8 CO 0.40 0.56 1.26 -0.55 0.00 0.00 0.00 174.94 176.61 1cmc s SER 9 N 0.24 6.99 0.00 3.58 0.15 -1.26 -4.87 113.70 118.53 1cmc s SER 9 Ca -0.15 2.17 0.28 0.00 0.70 0.00 0.00 55.95 58.95 1cmc s SER 9 Cb -0.17 -2.59 1.04 0.00 -1.71 0.00 0.00 66.02 62.59 1cmc s SER 9 CO 0.08 -0.51 1.76 -2.65 1.20 0.00 0.00 173.24 173.11 1cmc n PRO 10 N 3.62 0.34 -4.57 5.44 -0.02 -1.26 -4.83 135.00 133.71 1cmc n PRO 10 Ca 0.09 -0.12 -0.33 0.00 -2.02 0.00 0.00 63.50 61.12 1cmc n PRO 10 Cb 0.45 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.30 1cmc n PRO 10 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1cmc s TYR 11 N -2.74 2.93 0.20 6.00 2.02 -1.26 -4.64 117.35 119.86 1cmc s TYR 11 Ca 0.20 -0.44 -0.02 0.00 -0.37 0.00 0.00 57.07 56.45 1cmc s TYR 11 Cb 0.19 -1.90 0.15 0.00 -0.40 0.00 0.00 41.96 40.00 1cmc s TYR 11 CO 0.55 -0.10 1.53 0.00 -1.57 0.00 0.00 175.55 175.96 1cmc h ALA 12 N 6.65 0.75 -3.28 3.71 0.00 -1.91 -3.40 119.26 121.78 1cmc h ALA 12 Ca -0.29 -0.50 -0.67 0.00 0.00 0.00 0.00 54.91 53.45 1cmc h ALA 12 Cb 1.20 -0.09 -0.32 0.00 0.00 0.00 0.00 17.79 18.58 1cmc h ALA 12 CO 0.59 0.68 -0.76 -1.21 0.00 0.00 0.00 179.25 178.56 1cmc s GLU 13 N -4.03 2.83 -0.17 0.00 0.41 -1.26 0.77 118.70 117.25 1cmc s GLU 13 Ca -0.07 -0.98 -0.14 0.00 -0.41 0.00 0.00 54.97 53.38 1cmc s GLU 13 Cb 0.12 -2.95 0.05 0.00 -1.78 0.00 0.00 34.13 29.57 1cmc s GLU 13 CO 0.83 -0.39 0.44 -3.38 -0.49 0.00 0.00 175.26 172.27 1cmc s HIS 14 N 1.31 -0.53 0.00 1.61 -3.43 -1.07 -5.04 115.29 108.15 1cmc s HIS 14 Ca 0.00 1.23 0.00 0.00 -0.80 0.00 0.00 55.06 55.49 1cmc s HIS 14 Cb -0.16 0.20 0.00 0.00 -1.43 0.00 0.00 32.58 31.19 1cmc s HIS 14 CO -0.05 -0.27 0.00 0.41 -2.00 0.00 0.00 174.74 172.83 1cmc n GLY 15 N 3.24 3.76 1.34 -1.38 0.00 -1.21 -1.53 105.19 109.41 1cmc n GLY 15 Ca -0.16 0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 1cmc n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cmc n LYS 16 N 14.00 2.19 -4.28 1.61 5.02 -1.26 -5.01 118.16 130.43 1cmc n LYS 16 Ca 0.00 -3.41 -0.22 0.00 -2.02 0.00 0.00 58.31 52.67 1cmc n LYS 16 Cb 0.00 -1.91 -0.12 0.00 -0.02 0.00 0.00 35.03 32.98 1cmc n LYS 16 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1cmc s LYS 17 N -3.36 1.12 -0.14 1.97 -0.14 -0.58 -5.12 119.74 113.48 1cmc s LYS 17 Ca 0.47 -1.22 -0.01 0.00 -1.36 0.00 0.00 55.97 53.84 1cmc s LYS 17 Cb 0.41 -1.24 0.04 0.00 -1.68 0.00 0.00 37.83 35.36 1cmc s LYS 17 CO -0.01 0.27 -0.03 0.45 -0.76 0.00 0.00 175.35 175.28 1cmc s SER 18 N -2.19 2.42 0.54 2.83 0.15 -1.26 -2.59 113.70 113.61 1cmc s SER 18 Ca 0.08 -0.48 -0.06 0.00 0.70 0.00 0.00 55.95 56.19 1cmc s SER 18 Cb -0.08 -0.73 -0.02 0.00 -1.71 0.00 0.00 66.02 63.49 1cmc s SER 18 CO 0.05 -0.20 0.85 -1.61 1.20 0.00 0.00 173.24 173.53 1cmc s GLU 19 N 1.77 3.26 0.28 5.44 2.02 0.23 -5.01 118.70 126.69 1cmc s GLU 19 Ca 0.02 0.13 -0.29 0.00 0.02 0.00 0.00 54.97 54.86 1cmc s GLU 19 Cb -0.14 -2.31 -0.09 0.00 0.10 0.00 0.00 34.13 31.68 1cmc s GLU 19 CO -0.07 -0.45 0.99 -0.65 0.02 0.00 0.00 175.26 175.09 1cmc s GLN 20 N -4.88 4.71 0.15 1.61 -0.21 -1.26 -4.85 119.66 114.93 1cmc s GLN 20 Ca 0.51 1.54 0.05 0.00 0.02 0.00 0.00 55.36 57.48 1cmc s GLN 20 Cb -0.10 -3.12 -0.04 0.00 1.00 0.00 0.00 33.01 30.74 1cmc s GLN 20 CO 0.45 0.36 -0.11 0.14 -2.12 0.00 0.00 175.29 174.01 1cmc s VAL 21 N -1.29 1.27 -0.01 1.09 -7.23 -1.26 -5.01 120.40 107.96 1cmc s VAL 21 Ca 0.45 -2.01 0.04 0.00 -1.81 0.00 0.00 61.98 58.65 1cmc s VAL 21 Cb -0.26 -1.80 -0.01 0.00 0.56 0.00 0.00 36.38 34.87 1cmc s VAL 21 CO 0.32 -0.66 -0.14 -0.75 -0.31 0.00 0.00 175.10 173.57 1cmc s LYS 22 N -3.50 1.16 -0.19 4.82 2.20 -1.26 -5.14 119.74 117.82 1cmc s LYS 22 Ca 0.16 -0.48 -0.10 0.00 -0.36 0.00 0.00 55.97 55.19 1cmc s LYS 22 Cb 0.01 -1.10 -0.05 0.00 -1.51 0.00 0.00 37.83 35.17 1cmc s LYS 22 CO 0.02 0.28 0.14 -1.59 -0.36 0.00 0.00 175.35 173.83 1cmc s LYS 23 N -0.25 4.09 0.13 4.03 -2.85 -1.26 -5.08 119.74 118.56 1cmc s LYS 23 Ca 0.04 -0.20 0.05 0.00 -1.00 0.00 0.00 55.97 54.86 1cmc s LYS 23 Cb -0.06 -3.39 -0.04 0.00 -2.06 0.00 0.00 37.83 32.28 1cmc s LYS 23 CO -0.00 0.36 -0.11 0.96 0.10 0.00 0.00 175.35 176.66 1cmc s ILE 24 N 0.18 1.18 -0.18 3.79 -4.36 -1.26 -5.14 121.20 115.40 1cmc s ILE 24 Ca 0.09 -1.88 -0.06 0.00 -0.26 0.00 0.00 60.65 58.54 1cmc s ILE 24 Cb -0.11 -1.66 -0.03 0.00 1.25 0.00 0.00 42.46 41.90 1cmc s ILE 24 CO -0.01 -0.62 0.03 -0.89 0.24 0.00 0.00 174.94 173.69 1cmc s THR 25 N -2.81 4.42 0.05 8.37 2.01 -1.26 -5.11 115.64 121.30 1cmc s THR 25 Ca 0.12 -0.16 0.06 0.00 0.31 0.00 0.00 61.69 62.02 1cmc s THR 25 Cb -0.01 -2.98 -0.02 0.00 0.01 0.00 0.00 72.50 69.49 1cmc s THR 25 CO 0.01 0.46 -0.16 0.68 -0.69 0.00 0.00 174.62 174.92 1cmc s VAL 26 N 0.51 1.28 -0.18 3.82 -7.23 -1.26 -5.14 120.40 112.20 1cmc s VAL 26 Ca 0.01 -1.09 -0.13 0.00 -1.81 0.00 0.00 61.98 58.95 1cmc s VAL 26 Cb -0.13 -1.15 -0.05 0.00 0.56 0.00 0.00 36.38 35.61 1cmc s VAL 26 CO 0.02 0.04 0.28 -0.44 -0.31 0.00 0.00 175.10 174.68 1cmc s SER 27 N -1.22 6.39 -0.04 4.85 0.01 -1.26 -5.08 113.70 117.34 1cmc s SER 27 Ca 0.03 0.45 0.02 0.00 1.31 0.00 0.00 55.95 57.76 1cmc s SER 27 Cb -0.08 -2.17 0.01 0.00 0.21 0.00 0.00 66.02 63.99 1cmc s SER 27 CO 0.02 0.08 -0.09 -0.63 0.41 0.00 0.00 173.24 173.03 1cmc s ILE 28 N 0.60 0.83 0.58 1.44 1.01 -1.26 -5.14 121.20 119.27 1cmc s ILE 28 Ca 0.15 -0.33 -0.20 0.00 0.00 0.00 0.00 60.65 60.27 1cmc s ILE 28 Cb -0.13 -0.77 -0.04 0.00 0.01 0.00 0.00 42.46 41.53 1cmc s ILE 28 CO 0.04 0.28 1.21 -2.65 0.00 0.00 0.00 174.94 173.81 1cmc n PRO 29 N 3.69 1.28 -0.24 2.79 -0.02 -1.26 -4.74 135.00 136.51 1cmc n PRO 29 Ca -0.22 0.48 -0.04 0.00 -2.02 0.00 0.00 63.50 61.70 1cmc n PRO 29 Cb 0.52 -2.41 0.07 0.00 -0.02 0.00 0.00 33.50 31.66 1cmc n PRO 29 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1cmc h LEU 30 N 0.92 0.69 -1.34 2.45 3.38 -2.00 0.61 115.31 120.02 1cmc h LEU 30 Ca -0.50 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.48 1cmc h LEU 30 Cb 1.33 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 1cmc h LEU 30 CO 0.54 0.48 0.45 0.11 0.09 0.00 0.00 178.44 180.11 1cmc h LYS 31 N 0.83 0.88 -0.05 1.13 1.57 -2.00 -1.42 116.57 117.51 1cmc h LYS 31 Ca 0.26 -0.05 -0.21 0.00 -1.87 0.00 0.00 60.65 58.79 1cmc h LYS 31 Cb 0.00 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.13 1cmc h LYS 31 CO -0.10 0.58 -0.77 0.28 -0.57 0.00 0.00 179.45 178.87 1cmc h VAL 32 N 0.91 1.33 -0.92 0.50 2.07 -1.67 -3.19 116.25 115.28 1cmc h VAL 32 Ca 0.25 -2.07 -0.01 0.00 0.82 0.00 0.00 66.70 65.69 1cmc h VAL 32 Cb -0.09 2.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 1cmc h VAL 32 CO -0.06 0.63 0.52 0.25 0.02 0.00 0.00 177.57 178.94 1cmc h LEU 33 N 0.23 1.14 -0.87 2.57 5.85 -0.64 -0.88 115.31 122.70 1cmc h LEU 33 Ca -0.08 -0.09 0.13 0.00 0.84 0.00 0.00 57.88 58.67 1cmc h LEU 33 Cb 1.44 -0.29 -0.09 0.00 0.37 0.00 0.00 40.66 42.09 1cmc h LEU 33 CO 0.15 0.90 0.49 0.50 -0.34 0.00 0.00 178.44 180.14 1cmc h LYS 34 N 1.28 0.73 -0.15 1.25 1.63 -1.28 0.89 116.57 120.93 1cmc h LYS 34 Ca 0.33 -0.04 -0.18 0.00 -0.85 0.00 0.00 60.65 59.90 1cmc h LYS 34 Cb -0.00 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 31.46 1cmc h LYS 34 CO -0.06 0.48 -0.66 0.82 -3.45 0.00 0.00 179.45 176.58 1cmc h ILE 35 N 0.75 1.33 0.34 2.00 2.04 -1.37 -1.47 117.51 121.13 1cmc h ILE 35 Ca 0.45 -1.95 -0.02 0.00 1.00 0.00 0.00 64.86 64.35 1cmc h ILE 35 Cb 0.54 1.92 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 1cmc h ILE 35 CO -0.31 0.60 -0.16 0.25 0.00 0.00 0.00 178.15 178.54 1cmc h LEU 36 N 0.42 -0.38 -0.98 1.44 5.85 -0.43 -1.38 115.31 119.84 1cmc h LEU 36 Ca -0.02 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 1cmc h LEU 36 Cb 1.24 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.35 1cmc h LEU 36 CO 0.13 -0.26 0.01 0.71 -0.34 0.00 0.00 178.44 178.68 1cmc h THR 37 N -0.47 1.23 -0.48 1.05 1.35 -0.77 0.49 112.91 115.31 1cmc h THR 37 Ca -0.05 -0.95 -0.03 0.00 -0.55 0.00 0.00 66.41 64.83 1cmc h THR 37 Cb 0.36 0.88 -0.02 0.00 -1.73 0.00 0.00 68.15 67.64 1cmc h THR 37 CO 0.08 0.34 0.17 0.44 -0.25 0.00 0.00 175.52 176.29 1cmc h ASP 38 N 0.70 0.69 0.12 5.36 3.32 -1.22 -0.87 116.42 124.52 1cmc h ASP 38 Ca 0.14 -0.19 -0.10 0.00 0.02 0.00 0.00 57.03 56.90 1cmc h ASP 38 Cb 0.42 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1cmc h ASP 38 CO 0.02 0.69 -0.34 -0.08 -1.72 0.00 0.00 179.24 177.80 1cmc h GLU 39 N 0.65 0.32 -0.53 3.56 4.57 -0.55 0.66 114.58 123.25 1cmc h GLU 39 Ca 0.16 -0.13 -0.05 0.00 -1.18 0.00 0.00 59.36 58.15 1cmc h GLU 39 Cb 0.23 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 1cmc h GLU 39 CO -0.01 0.63 0.13 -0.09 -1.18 0.00 0.00 179.01 178.49 1cmc h ARG 40 N 0.27 0.85 -0.63 1.92 2.43 -0.61 -2.44 114.38 116.18 1cmc h ARG 40 Ca 0.03 -0.20 -0.04 0.00 -0.81 0.00 0.00 59.98 58.96 1cmc h ARG 40 Cb 0.74 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.15 1cmc h ARG 40 CO 0.06 0.81 0.24 1.15 -1.51 0.00 0.00 179.97 180.72 1cmc h THR 41 N 0.75 1.24 -0.74 0.20 2.02 -0.94 -1.89 112.91 113.54 1cmc h THR 41 Ca 0.17 -0.76 0.03 0.00 0.77 0.00 0.00 66.41 66.62 1cmc h THR 41 Cb 0.33 0.54 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 1cmc h THR 41 CO 0.00 0.30 0.47 -0.09 0.37 0.00 0.00 175.52 176.57 1cmc h ARG 42 N 0.90 0.91 -0.61 6.66 2.43 -0.71 0.59 114.38 124.54 1cmc h ARG 42 Ca 0.21 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.23 1cmc h ARG 42 Cb 0.22 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1cmc h ARG 42 CO -0.02 0.60 -0.01 0.00 -1.51 0.00 0.00 179.97 179.04 1cmc h ARG 43 N 0.93 1.08 0.22 0.20 3.08 -1.25 -2.92 114.38 115.73 1cmc h ARG 43 Ca 0.29 -0.35 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1cmc h ARG 43 Cb -0.01 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.95 1cmc h ARG 43 CO -0.10 1.06 -0.11 1.96 -1.07 0.00 0.00 179.97 181.71 1cmc h GLN 44 N 0.99 -0.28 0.00 0.04 4.20 -0.50 0.23 115.11 119.78 1cmc h GLN 44 Ca 0.17 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1cmc h GLN 44 Cb 0.57 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1cmc h GLN 44 CO 0.03 -0.03 0.00 1.33 -0.67 0.00 0.00 178.83 179.49 1cmc n VAL 45 N -5.12 0.85 0.46 -0.54 0.24 0.12 -1.33 118.33 113.00 1cmc n VAL 45 Ca -0.09 0.21 0.07 0.00 -2.04 0.00 0.00 64.34 62.49 1cmc n VAL 45 Cb 0.21 -0.97 0.07 0.00 -1.47 0.00 0.00 33.84 31.68 1cmc n VAL 45 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1cmc n ASN 46 N -1.42 2.24 -3.57 -1.34 3.02 -1.10 -4.98 115.26 108.11 1cmc n ASN 46 Ca 0.05 -1.61 -0.20 0.00 -0.03 0.00 0.00 54.58 52.79 1cmc n ASN 46 Cb 0.15 -0.04 0.06 0.00 -0.61 0.00 0.00 39.78 39.35 1cmc n ASN 46 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1cmc n ASN 47 N 0.75 -2.06 -4.90 6.41 5.15 -0.44 -5.01 115.26 115.16 1cmc n ASN 47 Ca 0.09 -0.70 -0.25 0.00 -0.60 0.00 0.00 54.58 53.11 1cmc n ASN 47 Cb 0.35 -4.64 -0.04 0.00 -0.53 0.00 0.00 39.78 34.92 1cmc n ASN 47 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1cmc s LEU 48 N -6.58 4.15 0.97 1.20 1.43 0.73 -4.26 118.68 116.32 1cmc s LEU 48 Ca 0.06 0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 53.09 1cmc s LEU 48 Cb -0.03 -2.73 0.17 0.00 0.03 0.00 0.00 46.19 43.63 1cmc s LEU 48 CO 0.77 0.04 1.10 -0.13 0.23 0.00 0.00 176.35 178.36 1cmc s ARG 49 N -3.31 0.65 -1.43 1.70 0.52 -0.49 -4.32 118.95 112.27 1cmc s ARG 49 Ca 0.33 0.48 -0.10 0.00 -0.52 0.00 0.00 55.73 55.93 1cmc s ARG 49 Cb -0.10 -1.77 0.05 0.00 0.52 0.00 0.00 34.95 33.65 1cmc s ARG 49 CO 0.27 -2.57 1.01 0.72 0.02 0.00 0.00 175.30 174.74 1cmc n HIS 50 N -4.06 -2.42 -2.90 -0.53 8.25 -1.26 -4.90 115.22 107.40 1cmc n HIS 50 Ca 0.06 0.93 -0.43 0.00 -0.26 0.00 0.00 57.72 58.02 1cmc n HIS 50 Cb 0.58 -4.43 0.01 0.00 1.12 0.00 0.00 29.99 27.26 1cmc n HIS 50 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1cmc n ALA 51 N -4.69 5.27 -2.99 -1.41 0.00 -1.26 -4.54 120.51 110.89 1cmc n ALA 51 Ca -0.04 -4.74 -0.10 0.00 0.00 0.00 0.00 53.44 48.56 1cmc n ALA 51 Cb 0.57 -2.42 -0.11 0.00 0.00 0.00 0.00 19.45 17.48 1cmc n ALA 51 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1cmc s THR 52 N -2.49 0.07 0.27 0.00 -4.23 -1.26 -4.89 115.64 103.11 1cmc s THR 52 Ca 0.33 -0.62 -0.01 0.00 -1.18 0.00 0.00 61.69 60.21 1cmc s THR 52 Cb 0.06 -0.24 0.26 0.00 1.34 0.00 0.00 72.50 73.92 1cmc s THR 52 CO 0.09 -0.34 1.70 0.78 -0.54 0.00 0.00 174.62 176.30 1cmc h ASN 53 N 4.97 0.20 -0.02 3.99 -0.26 -1.93 -1.66 115.58 120.87 1cmc h ASN 53 Ca -0.30 0.15 -0.00 0.00 -0.56 0.00 0.00 56.30 55.59 1cmc h ASN 53 Cb 1.21 0.15 -0.00 0.00 -1.06 0.00 0.00 38.32 38.62 1cmc h ASN 53 CO 0.43 -0.00 0.01 0.28 -1.06 0.00 0.00 177.43 177.09 1cmc h SER 54 N 0.36 0.02 0.23 5.81 0.02 -1.96 -1.41 113.55 116.61 1cmc h SER 54 Ca 0.49 -0.03 -0.15 0.00 -0.84 0.00 0.00 61.79 61.25 1cmc h SER 54 Cb 0.87 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 1cmc h SER 54 CO -0.51 0.05 -0.59 -0.33 -1.14 0.00 0.00 176.83 174.31 1cmc h GLU 55 N -0.00 0.37 -0.64 3.45 5.08 -1.76 -1.43 114.58 119.64 1cmc h GLU 55 Ca 0.01 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1cmc h GLU 55 Cb 0.03 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1cmc h GLU 55 CO -0.00 0.85 0.37 -0.07 -1.00 0.00 0.00 179.01 179.16 1cmc h LEU 56 N 0.28 0.78 -0.44 1.33 3.38 -1.01 -1.27 115.31 118.36 1cmc h LEU 56 Ca -0.00 -0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.72 1cmc h LEU 56 Cb 1.11 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 1cmc h LEU 56 CO 0.10 0.63 -0.63 -0.07 0.09 0.00 0.00 178.44 178.56 1cmc h LEU 57 N 0.87 0.63 -0.56 1.67 3.38 -1.18 -2.36 115.31 117.77 1cmc h LEU 57 Ca 0.23 -0.37 -0.15 0.00 0.09 0.00 0.00 57.88 57.68 1cmc h LEU 57 Cb -0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1cmc h LEU 57 CO -0.04 1.10 -0.45 0.00 0.09 0.00 0.00 178.44 179.14 1cmc h GLU 59 N 0.52 0.43 -0.42 0.00 5.08 -1.17 -2.42 114.58 116.60 1cmc h GLU 59 Ca 0.03 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1cmc h GLU 59 Cb 0.99 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1cmc h GLU 59 CO 0.09 0.42 0.09 0.00 -1.00 0.00 0.00 179.01 178.61 1cmc h ALA 60 N 0.99 0.56 0.28 3.43 0.00 -1.45 -1.50 119.26 121.57 1cmc h ALA 60 Ca 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1cmc h ALA 60 Cb 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1cmc h ALA 60 CO -0.01 0.25 -0.13 0.35 0.00 0.00 0.00 179.25 179.70 1cmc h PHE 61 N 0.55 -0.35 -0.80 0.00 3.57 -1.31 -1.75 116.94 116.85 1cmc h PHE 61 Ca 0.13 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1cmc h PHE 61 Cb 0.33 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.15 1cmc h PHE 61 CO 0.02 -0.15 0.47 -0.07 -2.23 0.00 0.00 178.31 176.35 1cmc h LEU 62 N -0.47 0.98 -1.26 0.59 3.38 -1.34 -1.21 115.31 115.98 1cmc h LEU 62 Ca -0.04 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 1cmc h LEU 62 Cb 0.35 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1cmc h LEU 62 CO 0.06 0.77 -0.08 -0.74 0.09 0.00 0.00 178.44 178.55 1cmc h HIS 63 N 1.10 0.43 0.17 1.13 2.76 -1.06 0.16 115.15 119.84 1cmc h HIS 63 Ca 0.29 -0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.40 1cmc h HIS 63 Cb -0.01 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 28.82 1cmc h HIS 63 CO -0.00 0.49 -0.08 0.00 -1.30 0.00 0.00 177.93 177.04 1cmc h ALA 64 N 1.53 -0.22 0.12 5.26 0.00 -1.06 -1.92 119.26 122.97 1cmc h ALA 64 Ca 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1cmc h ALA 64 Cb 0.38 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1cmc h ALA 64 CO 0.02 -0.39 -0.06 0.35 0.00 0.00 0.00 179.25 179.18 1cmc h PHE 65 N -0.70 -0.15 0.00 0.00 3.57 -1.19 -3.39 116.94 115.09 1cmc h PHE 65 Ca -0.02 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1cmc h PHE 65 Cb 0.50 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.29 1cmc h PHE 65 CO 0.06 0.24 -0.61 0.25 -2.23 0.00 0.00 178.31 176.03 1cmc n THR 66 N -4.97 0.00 -0.83 4.41 -2.24 0.04 -5.00 114.28 105.68 1cmc n THR 66 Ca -0.09 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1cmc n THR 66 Cb 0.24 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 1cmc n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cmc n GLY 67 N 1.30 0.67 3.64 3.38 0.00 -0.72 -4.25 105.19 109.20 1cmc n GLY 67 Ca 0.02 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.57 1cmc n GLY 67 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1cmc n GLN 68 N -2.61 1.72 -2.15 1.61 7.27 -1.25 -4.66 117.38 117.32 1cmc n GLN 68 Ca 0.00 0.62 -0.37 0.00 0.07 0.00 0.00 57.00 57.31 1cmc n GLN 68 Cb 0.00 -2.27 0.00 0.00 2.41 0.00 0.00 30.24 30.38 1cmc n GLN 68 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 1cmc s PRO 69 N 0.13 3.60 0.49 3.69 0.02 -1.26 -4.09 135.00 137.58 1cmc s PRO 69 Ca 0.75 1.87 -0.19 0.00 0.02 0.00 0.00 61.00 63.45 1cmc s PRO 69 Cb -0.76 -2.35 -0.08 0.00 0.02 0.00 0.00 34.50 31.33 1cmc s PRO 69 CO 0.46 -0.71 1.00 -0.51 -0.33 0.00 0.00 177.00 176.91 1cmc s LEU 70 N -3.18 3.77 0.52 -5.54 1.43 -1.26 -4.92 118.68 109.50 1cmc s LEU 70 Ca 0.66 1.76 -0.19 0.00 -1.03 0.00 0.00 54.13 55.32 1cmc s LEU 70 Cb -0.31 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.30 1cmc s LEU 70 CO 0.37 -0.67 1.06 -2.16 0.23 0.00 0.00 176.35 175.18 1cmc s PRO 71 N -3.54 3.62 0.36 1.29 0.04 -1.26 -4.98 135.00 130.52 1cmc s PRO 71 Ca 0.63 1.38 -0.03 0.00 0.04 0.00 0.00 61.00 63.02 1cmc s PRO 71 Cb -0.13 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 1cmc s PRO 71 CO 0.23 -0.58 0.61 0.34 0.04 0.00 0.00 177.00 177.64 1cmc s ASP 72 N -2.09 6.34 0.33 6.66 2.15 -1.26 -4.99 116.67 123.81 1cmc s ASP 72 Ca 0.68 0.66 0.12 0.00 0.43 0.00 0.00 52.55 54.44 1cmc s ASP 72 Cb -0.18 -2.12 0.98 0.00 -0.30 0.00 0.00 42.92 41.30 1cmc s ASP 72 CO 0.24 -0.33 1.70 0.44 -0.17 0.00 0.00 175.17 177.05 1cmc h ASP 73 N 0.96 0.59 -0.53 -0.34 5.19 -1.98 0.20 116.42 120.51 1cmc h ASP 73 Ca -0.48 0.16 -0.02 0.00 -0.62 0.00 0.00 57.03 56.07 1cmc h ASP 73 Cb 1.20 0.09 -0.03 0.00 0.18 0.00 0.00 39.33 40.77 1cmc h ASP 73 CO 0.63 -0.02 0.25 0.00 -3.12 0.00 0.00 179.24 176.99 1cmc h ALA 74 N 1.79 1.39 0.00 3.45 0.00 -1.98 -2.19 119.26 121.72 1cmc h ALA 74 Ca 0.69 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.47 1cmc h ALA 74 Cb 1.44 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1cmc h ALA 74 CO -0.54 0.47 0.00 -0.44 0.00 0.00 0.00 179.25 178.74 1cmc h ASP 75 N 0.79 0.00 -0.00 0.00 3.32 -1.34 -3.00 116.42 116.19 1cmc h ASP 75 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1cmc h ASP 75 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1cmc h ASP 75 CO -0.02 0.00 -0.85 0.18 -1.72 0.00 0.00 179.24 176.83 1cmc n LEU 76 N -3.03 1.24 -4.77 1.55 4.77 -0.86 -4.78 117.00 111.12 1cmc n LEU 76 Ca 0.00 -0.57 -0.41 0.00 -0.03 0.00 0.00 56.01 55.01 1cmc n LEU 76 Cb 0.26 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.34 1cmc n LEU 76 CO 0.26 0.28 1.10 -0.13 -1.33 0.00 0.00 177.39 177.57 1cmc s ARG 77 N -2.83 4.19 0.57 3.23 0.52 -1.00 -1.40 118.95 122.23 1cmc s ARG 77 Ca 0.10 2.46 0.34 0.00 -0.52 0.00 0.00 55.73 58.11 1cmc s ARG 77 Cb 0.16 -3.01 1.69 0.00 0.52 0.00 0.00 34.95 34.31 1cmc s ARG 77 CO 0.78 -0.44 2.13 0.87 0.02 0.00 0.00 175.30 178.65 1cmc h LYS 78 N 3.49 0.00 0.00 3.54 1.57 -1.92 -2.15 116.57 121.09 1cmc h LYS 78 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1cmc h LYS 78 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1cmc h LYS 78 CO 0.67 0.06 0.00 1.05 -0.57 0.00 0.00 179.45 180.66 1cmc h GLU 79 N 0.00 0.00 -6.05 3.15 4.11 -1.95 -3.44 114.58 110.41 1cmc h GLU 79 Ca -0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.36 58.83 1cmc h GLU 79 Cb 0.30 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.50 1cmc h GLU 79 CO 0.01 0.00 -0.29 0.50 0.07 0.00 0.00 179.01 179.29 1cmc s ARG 80 N -3.21 3.70 0.35 1.06 3.52 -0.81 -5.08 118.95 118.48 1cmc s ARG 80 Ca 0.08 0.08 -0.28 0.00 -0.13 0.00 0.00 55.73 55.48 1cmc s ARG 80 Cb 0.09 -3.02 -0.10 0.00 -1.56 0.00 0.00 34.95 30.37 1cmc s ARG 80 CO 0.59 0.58 1.32 0.45 -0.81 0.00 0.00 175.30 177.43 1cmc s SER 81 N -1.77 6.65 -1.21 -2.12 0.15 -1.26 -4.86 113.70 109.26 1cmc s SER 81 Ca 0.32 2.70 -0.20 0.00 0.70 0.00 0.00 55.95 59.47 1cmc s SER 81 Cb -0.14 -2.65 0.06 0.00 -1.71 0.00 0.00 66.02 61.59 1cmc s SER 81 CO 0.18 -0.62 1.66 -0.62 1.20 0.00 0.00 173.24 175.04 1cmc s ASP 82 N -0.52 6.69 0.01 5.45 2.15 -1.26 -4.92 116.67 124.26 1cmc s ASP 82 Ca 0.51 -2.13 0.00 0.00 0.43 0.00 0.00 52.55 51.36 1cmc s ASP 82 Cb -0.40 -2.58 -0.00 0.00 -0.30 0.00 0.00 42.92 39.65 1cmc s ASP 82 CO 0.53 -1.32 0.01 -1.84 -0.17 0.00 0.00 175.17 172.37 1cmc n GLU 83 N 8.54 0.01 -1.66 4.34 0.28 -1.26 -3.31 120.64 127.58 1cmc n GLU 83 Ca 0.44 -0.09 -0.44 0.00 -0.16 0.00 0.00 57.16 56.91 1cmc n GLU 83 Cb 0.47 0.08 -0.02 0.00 1.43 0.00 0.00 31.44 33.40 1cmc n GLU 83 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1cmc n ILE 84 N -0.02 1.51 -1.59 3.84 5.41 -1.26 -4.90 119.36 122.35 1cmc n ILE 84 Ca 0.00 -0.38 -0.43 0.00 1.00 0.00 0.00 62.75 62.95 1cmc n ILE 84 Cb 0.02 -1.36 -0.00 0.00 -0.71 0.00 0.00 39.64 37.59 1cmc n ILE 84 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1cmc n PRO 85 N 1.25 1.32 -0.36 0.38 -0.02 -1.26 -4.73 135.00 131.58 1cmc n PRO 85 Ca 0.09 0.47 0.06 0.00 -2.02 0.00 0.00 63.50 62.10 1cmc n PRO 85 Cb 0.32 -1.91 0.23 0.00 -0.02 0.00 0.00 33.50 32.12 1cmc n PRO 85 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1cmc h GLU 86 N 1.73 1.01 -0.82 -0.52 4.39 -1.96 -1.59 114.58 116.81 1cmc h GLU 86 Ca -0.42 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.23 1cmc h GLU 86 Cb 1.34 -0.23 -0.04 0.00 -0.10 0.00 0.00 28.75 29.72 1cmc h GLU 86 CO 0.58 0.67 0.55 0.00 -1.16 0.00 0.00 179.01 179.64 1cmc h ALA 87 N 1.52 1.42 -0.16 3.43 0.00 -1.95 -1.46 119.26 122.06 1cmc h ALA 87 Ca 0.47 -0.06 -0.21 0.00 0.00 0.00 0.00 54.91 55.12 1cmc h ALA 87 Cb 0.39 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1cmc h ALA 87 CO -0.23 0.54 -0.72 0.00 0.00 0.00 0.00 179.25 178.84 1cmc h ALA 88 N 1.49 0.42 -0.16 0.00 0.00 -1.67 -3.01 119.26 116.32 1cmc h ALA 88 Ca 0.30 -0.58 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1cmc h ALA 88 Cb -0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1cmc h ALA 88 CO -0.07 0.70 -0.25 0.87 0.00 0.00 0.00 179.25 180.51 1cmc h LYS 89 N 0.50 0.30 -0.43 0.00 1.57 -0.92 -1.61 116.57 115.97 1cmc h LYS 89 Ca -0.03 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1cmc h LYS 89 Cb 1.33 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.60 1cmc h LYS 89 CO 0.14 0.53 0.21 1.49 -0.57 0.00 0.00 179.45 181.26 1cmc h GLU 90 N 0.27 0.62 -0.16 3.15 4.81 -1.27 -1.59 114.58 120.40 1cmc h GLU 90 Ca 0.04 -0.09 -0.14 0.00 -0.13 0.00 0.00 59.36 59.04 1cmc h GLU 90 Cb 0.58 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1cmc h GLU 90 CO 0.04 0.53 -0.50 0.82 -0.73 0.00 0.00 179.01 179.17 1cmc h ILE 91 N 0.56 1.33 -0.01 2.32 2.04 -1.37 -2.48 117.51 119.90 1cmc h ILE 91 Ca 0.15 -1.73 0.00 0.00 1.00 0.00 0.00 64.86 64.28 1cmc h ILE 91 Cb 0.11 1.74 -0.00 0.00 -0.74 0.00 0.00 36.82 37.93 1cmc h ILE 91 CO -0.02 0.53 0.00 0.24 0.00 0.00 0.00 178.15 178.90 1cmc h MET 92 N 0.35 0.01 -0.74 2.37 2.86 -1.07 -1.04 114.93 117.66 1cmc h MET 92 Ca 0.02 -0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.75 1cmc h MET 92 Cb 1.00 -0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.58 1cmc h MET 92 CO 0.09 0.01 0.39 0.00 1.06 0.00 0.00 176.91 178.46 1cmc h ARG 93 N 0.00 0.63 0.00 1.72 3.08 -1.13 0.91 114.38 119.59 1cmc h ARG 93 Ca 0.00 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1cmc h ARG 93 Cb 0.01 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 29.91 1cmc h ARG 93 CO -0.00 0.42 -0.13 0.93 -1.07 0.00 0.00 179.97 180.12 1cmc h GLU 94 N 0.65 0.00 -0.12 0.04 4.39 -0.96 -1.84 114.58 116.74 1cmc h GLU 94 Ca 0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.07 1cmc h GLU 94 Cb 0.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1cmc h GLU 94 CO -0.27 0.13 0.00 -1.33 -1.16 0.00 0.00 179.01 176.38 1cmc n MET 95 N -4.02 1.96 -0.63 2.33 2.81 -0.45 -4.90 117.12 114.23 1cmc n MET 95 Ca -0.02 -1.42 0.00 0.00 -1.81 0.00 0.00 57.70 54.45 1cmc n MET 95 Cb 0.22 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 1cmc n MET 95 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1cmc n GLY 96 N 1.25 0.63 3.44 3.03 0.00 -0.69 -5.03 105.19 107.82 1cmc n GLY 96 Ca 0.17 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 1cmc n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cmc s ILE 97 N -2.00 4.20 -0.49 -0.61 1.01 0.31 -4.97 121.20 118.64 1cmc s ILE 97 Ca 0.00 -0.21 -0.28 0.00 0.00 0.00 0.00 60.65 60.16 1cmc s ILE 97 Cb 0.00 -2.95 0.01 0.00 0.01 0.00 0.00 42.46 39.53 1cmc s ILE 97 CO 0.00 0.36 1.40 0.21 0.00 0.00 0.00 174.94 176.91 1cmc s ASN 98 N 1.48 6.24 0.61 3.58 3.04 -1.26 -3.06 114.94 125.57 1cmc s ASN 98 Ca 0.06 0.52 0.34 0.00 0.04 0.00 0.00 52.86 53.82 1cmc s ASN 98 Cb -0.15 -2.54 2.00 0.00 -1.54 0.00 0.00 41.25 39.02 1cmc s ASN 98 CO 0.03 -1.57 2.29 1.55 -3.04 0.00 0.00 177.10 176.36 1cmc h PRO 99 N 10.81 0.00 0.00 0.43 0.13 -1.92 -1.86 132.00 139.60 1cmc h PRO 99 Ca -0.27 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.78 1cmc h PRO 99 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1cmc h PRO 99 CO 1.14 0.00 -0.41 0.93 -0.23 0.00 0.00 178.00 179.43 1cmc h GLU 100 N 0.00 0.00 -0.04 0.86 5.08 -2.01 -3.13 114.58 115.33 1cmc h GLU 100 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1cmc h GLU 100 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1cmc h GLU 100 CO 0.00 0.41 0.00 0.25 -1.00 0.00 0.00 179.01 178.67 1cmc n THR 101 N -3.69 0.17 -2.01 1.13 -2.24 -0.91 -5.01 114.28 101.73 1cmc n THR 101 Ca -0.01 -0.59 -0.42 0.00 -2.27 0.00 0.00 64.05 60.77 1cmc n THR 101 Cb 0.50 1.03 -0.03 0.00 -2.10 0.00 0.00 70.33 69.73 1cmc n THR 101 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1cmc s TRP 102 N -0.63 3.07 -0.19 4.78 -0.11 -0.75 -4.98 118.94 120.13 1cmc s TRP 102 Ca 0.09 0.90 -0.17 0.00 1.22 0.00 0.00 56.10 58.14 1cmc s TRP 102 Cb 0.06 -3.83 -0.04 0.00 -1.50 0.00 0.00 33.47 28.16 1cmc s TRP 102 CO 0.09 -2.83 0.47 -2.00 -4.62 0.00 0.00 176.95 168.05 1cmc s GLU 103 N 0.28 4.21 0.00 5.86 2.12 -1.26 -5.03 118.70 124.88 1cmc s GLU 103 Ca 0.63 0.34 0.00 0.00 0.36 0.00 0.00 54.97 56.30 1cmc s GLU 103 Cb -0.42 -3.53 0.00 0.00 0.26 0.00 0.00 34.13 30.44 1cmc s GLU 103 CO 0.38 -0.06 0.00 2.48 -0.54 0.00 0.00 175.26 177.52