#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cpm s SER 38 N 0.00 2.45 -0.39 1.61 0.15 -1.26 -5.12 113.70 111.15 2cpm s SER 38 Ca 0.00 -1.32 -0.15 0.00 0.70 0.00 0.00 55.95 55.18 2cpm s SER 38 Cb 0.00 -0.10 0.01 0.00 -1.71 0.00 0.00 66.02 64.21 2cpm s SER 38 CO 0.00 -0.53 0.35 -0.55 1.20 0.00 0.00 173.24 173.71 2cpm s SER 39 N -3.46 6.15 0.00 5.45 0.15 -1.26 -4.89 113.70 115.84 2cpm s SER 39 Ca 0.34 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.41 2cpm s SER 39 Cb 0.07 -2.19 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 2cpm s SER 39 CO 0.14 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.76 2cpm n GLY 40 N 5.08 2.35 3.07 9.45 0.00 -1.26 -5.17 105.19 118.70 2cpm n GLY 40 Ca -0.10 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 2cpm n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cpm s SER 41 N 0.00 -0.22 0.22 1.61 1.04 -1.26 -5.17 113.70 109.92 2cpm s SER 41 Ca 0.00 0.44 -0.09 0.00 0.48 0.00 0.00 55.95 56.78 2cpm s SER 41 Cb 0.00 0.40 -0.01 0.00 0.10 0.00 0.00 66.02 66.51 2cpm s SER 41 CO 0.00 -0.11 0.36 -0.94 0.98 0.00 0.00 173.24 173.53 2cpm s SER 42 N 0.56 -0.01 -0.72 7.02 1.04 -1.26 -4.97 113.70 115.35 2cpm s SER 42 Ca -0.04 -1.03 -0.09 0.00 0.48 0.00 0.00 55.95 55.27 2cpm s SER 42 Cb -0.05 0.51 0.01 0.00 0.10 0.00 0.00 66.02 66.59 2cpm s SER 42 CO -0.03 -1.02 0.47 0.61 0.98 0.00 0.00 173.24 174.25 2cpm n GLY 43 N -0.33 -0.88 3.75 7.32 0.00 -1.26 -4.94 105.19 108.85 2cpm n GLY 43 Ca -0.02 0.39 -0.31 0.00 0.00 0.00 0.00 46.02 46.08 2cpm n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2cpm s GLN 44 N -5.13 2.16 -0.15 1.61 -0.21 -1.26 -5.07 119.66 111.60 2cpm s GLN 44 Ca 0.12 -2.30 -0.10 0.00 0.02 0.00 0.00 55.36 53.10 2cpm s GLN 44 Cb -0.07 -1.61 -0.24 0.00 1.00 0.00 0.00 33.01 32.09 2cpm s GLN 44 CO 0.70 -0.32 0.28 1.63 -2.12 0.00 0.00 175.29 175.47 2cpm n LYS 45 N -1.25 0.70 -0.17 2.91 4.01 -1.26 -4.11 118.16 119.00 2cpm n LYS 45 Ca -0.15 0.34 -0.04 0.00 -0.51 0.00 0.00 58.31 57.95 2cpm n LYS 45 Cb 0.67 -1.71 -0.04 0.00 -0.51 0.00 0.00 35.03 33.44 2cpm n LYS 45 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2cpm n VAL 46 N -3.75 -0.27 -0.24 -0.18 0.31 -1.26 -0.17 118.33 112.77 2cpm n VAL 46 Ca -0.33 1.80 0.05 0.00 -0.01 0.00 0.00 64.34 65.84 2cpm n VAL 46 Cb 0.95 -2.30 0.17 0.00 -0.91 0.00 0.00 33.84 31.74 2cpm n VAL 46 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 2cpm h GLU 47 N 0.00 0.21 -0.21 5.55 4.11 -2.01 -0.74 114.58 121.49 2cpm h GLU 47 Ca 0.06 -0.01 0.04 0.00 0.07 0.00 0.00 59.36 59.52 2cpm h GLU 47 Cb 0.16 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 2cpm h GLU 47 CO -0.37 0.14 -0.07 0.35 0.07 0.00 0.00 179.01 179.13 2cpm h PHE 48 N 0.22 -0.15 -0.03 2.06 3.57 -0.71 -2.34 116.94 119.56 2cpm h PHE 48 Ca 0.40 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.95 2cpm h PHE 48 Cb 0.69 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.46 2cpm h PHE 48 CO -0.30 -0.11 -0.42 -0.09 -2.23 0.00 0.00 178.31 175.16 2cpm h ARG 49 N -0.02 -0.54 -0.59 1.11 2.43 0.87 -1.31 114.38 116.32 2cpm h ARG 49 Ca 0.10 0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.43 2cpm h ARG 49 Cb 0.18 0.12 -0.12 0.00 -0.42 0.00 0.00 29.97 29.74 2cpm h ARG 49 CO -0.23 -0.36 -0.22 0.87 -1.51 0.00 0.00 179.97 178.52 2cpm h LYS 50 N -0.56 -0.07 -0.86 0.20 1.57 -1.18 0.17 116.57 115.85 2cpm h LYS 50 Ca 0.05 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.95 2cpm h LYS 50 Cb 0.65 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.90 2cpm h LYS 50 CO -0.34 -0.05 0.49 -0.09 -0.57 0.00 0.00 179.45 178.90 2cpm h ARG 51 N -0.07 0.77 -0.56 3.15 2.43 -0.85 -1.33 114.38 117.92 2cpm h ARG 51 Ca 0.27 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.36 2cpm h ARG 51 Cb 0.50 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 2cpm h ARG 51 CO -0.65 0.51 0.20 0.52 -1.51 0.00 0.00 179.97 179.04 2cpm h MET 52 N 0.79 0.85 -0.51 0.20 2.86 0.38 -1.67 114.93 117.83 2cpm h MET 52 Ca 0.43 -0.17 0.06 0.00 -2.06 0.00 0.00 59.70 57.96 2cpm h MET 52 Cb 0.45 -0.13 -0.05 0.00 0.06 0.00 0.00 31.60 31.93 2cpm h MET 52 CO -0.28 0.76 0.21 0.93 1.06 0.00 0.00 176.91 179.59 2cpm h GLU 53 N 0.77 0.39 -0.27 1.72 5.08 0.04 0.23 114.58 122.55 2cpm h GLU 53 Ca 0.18 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 2cpm h GLU 53 Cb 0.24 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2cpm h GLU 53 CO -0.01 0.26 0.04 -0.22 -1.00 0.00 0.00 179.01 178.08 2cpm h LYS 54 N 0.40 0.44 0.89 2.33 1.63 -1.23 -2.33 116.57 118.70 2cpm h LYS 54 Ca 0.24 -0.12 -0.04 0.00 -0.85 0.00 0.00 60.65 59.88 2cpm h LYS 54 Cb 0.23 -0.05 0.01 0.00 -0.60 0.00 0.00 32.23 31.82 2cpm h LYS 54 CO -0.22 0.57 -0.43 0.93 -3.45 0.00 0.00 179.45 176.84 2cpm h GLU 55 N 0.25 -1.15 -0.26 1.90 4.39 -0.81 -1.60 114.58 117.31 2cpm h GLU 55 Ca 0.08 0.08 0.03 0.00 0.34 0.00 0.00 59.36 59.89 2cpm h GLU 55 Cb 0.34 0.26 -0.06 0.00 -0.10 0.00 0.00 28.75 29.19 2cpm h GLU 55 CO 0.01 -0.76 -0.46 0.28 -1.16 0.00 0.00 179.01 176.92 2cpm h VAL 56 N -1.22 0.00 -0.46 3.13 2.07 -0.60 -0.83 116.25 118.35 2cpm h VAL 56 Ca -0.12 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.49 2cpm h VAL 56 Cb 0.92 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.59 2cpm h VAL 56 CO 0.20 0.00 -0.32 -1.28 0.02 0.00 0.00 177.57 176.19 2cpm h SER 57 N -0.38 -1.07 -0.87 0.57 0.87 -1.44 0.11 113.55 111.33 2cpm h SER 57 Ca 0.05 0.20 0.20 0.00 -1.23 0.00 0.00 61.79 61.01 2cpm h SER 57 Cb 0.52 0.52 -0.12 0.00 -0.44 0.00 0.00 62.40 62.88 2cpm h SER 57 CO -0.44 -0.31 0.38 0.44 -0.53 0.00 0.00 176.83 176.36 2cpm h ASP 58 N -0.21 0.33 -0.57 6.23 3.32 -0.52 0.13 116.42 125.12 2cpm h ASP 58 Ca 0.20 0.14 -0.10 0.00 0.02 0.00 0.00 57.03 57.28 2cpm h ASP 58 Cb 0.54 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 2cpm h ASP 58 CO -0.58 0.04 -0.05 0.15 -1.72 0.00 0.00 179.24 177.07 2cpm h PHE 59 N 0.43 1.15 0.30 4.55 3.04 0.54 -2.28 116.94 124.68 2cpm h PHE 59 Ca 0.53 -0.22 -0.00 0.00 3.98 0.00 0.00 57.97 62.25 2cpm h PHE 59 Cb 0.94 -0.29 -0.02 0.00 2.56 0.00 0.00 35.95 39.15 2cpm h PHE 59 CO -0.14 1.04 -0.26 0.82 -2.02 0.00 0.00 178.31 177.75 2cpm h ILE 60 N 0.94 0.45 -0.77 1.41 2.04 0.98 -2.73 117.51 119.83 2cpm h ILE 60 Ca 0.16 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.06 2cpm h ILE 60 Cb 0.61 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 37.09 2cpm h ILE 60 CO 0.04 0.00 0.48 1.56 0.00 0.00 0.00 178.15 180.23 2cpm h GLN 61 N -0.58 0.88 -6.18 2.37 4.20 -1.29 -3.40 115.11 111.11 2cpm h GLN 61 Ca -0.02 -0.05 -0.56 0.00 0.06 0.00 0.00 58.65 58.08 2cpm h GLN 61 Cb 0.52 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.10 2cpm h GLN 61 CO -0.03 0.58 1.34 -0.51 -0.67 0.00 0.00 178.83 179.54 2cpm s ASP 62 N -5.76 5.97 -0.06 1.46 1.01 -0.86 -4.88 116.67 113.55 2cpm s ASP 62 Ca -0.13 2.15 -0.26 0.00 0.71 0.00 0.00 52.55 55.03 2cpm s ASP 62 Cb 0.17 -2.52 -0.23 0.00 1.01 0.00 0.00 42.92 41.35 2cpm s ASP 62 CO 0.78 -1.51 1.05 0.28 0.21 0.00 0.00 175.17 175.97 2cpm h SER 63 N 12.72 0.12 -0.95 0.27 0.02 -1.82 -3.28 113.55 120.62 2cpm h SER 63 Ca -0.43 -0.74 0.26 0.00 -0.84 0.00 0.00 61.79 60.04 2cpm h SER 63 Cb 1.23 -0.03 -0.14 0.00 0.14 0.00 0.00 62.40 63.60 2cpm h SER 63 CO 0.96 0.83 0.46 1.23 -1.14 0.00 0.00 176.83 179.18 2cpm h GLY 64 N -0.59 1.76 -5.51 -3.77 0.00 -1.94 -3.37 103.07 89.64 2cpm h GLY 64 Ca -0.01 -0.19 -0.57 0.00 0.00 0.00 0.00 47.33 46.55 2cpm h GLY 64 CO 0.02 -0.36 0.88 1.20 0.00 0.00 0.00 176.54 178.29 2cpm s GLN 65 N -5.80 4.10 -0.03 4.80 1.11 -1.24 -4.88 119.66 117.73 2cpm s GLN 65 Ca -0.11 1.30 0.22 0.00 0.01 0.00 0.00 55.36 56.78 2cpm s GLN 65 Cb 0.27 -3.76 -0.33 0.00 -1.01 0.00 0.00 33.01 28.18 2cpm s GLN 65 CO 0.78 -0.86 0.49 0.44 0.01 0.00 0.00 175.29 176.15 2cpm n ILE 66 N 5.74 0.03 -3.89 1.08 -5.35 -1.26 -4.91 119.36 110.80 2cpm n ILE 66 Ca 0.13 -0.50 -0.08 0.00 -0.27 0.00 0.00 62.75 62.02 2cpm n ILE 66 Cb 0.46 -0.01 -0.04 0.00 -1.74 0.00 0.00 39.64 38.32 2cpm n ILE 66 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 2cpm s LYS 67 N -3.51 1.61 -0.09 6.28 -2.85 -1.26 -2.51 119.74 117.41 2cpm s LYS 67 Ca -0.08 -1.06 -0.06 0.00 -1.00 0.00 0.00 55.97 53.77 2cpm s LYS 67 Cb 0.14 0.54 0.04 0.00 -2.06 0.00 0.00 37.83 36.49 2cpm s LYS 67 CO 0.91 -0.70 0.23 0.21 0.10 0.00 0.00 175.35 176.09 2cpm s LYS 68 N -3.95 0.21 -0.42 1.78 2.20 -0.76 -5.02 119.74 113.78 2cpm s LYS 68 Ca 0.15 0.44 -0.10 0.00 -0.36 0.00 0.00 55.97 56.10 2cpm s LYS 68 Cb -0.03 -0.05 0.08 0.00 -1.51 0.00 0.00 37.83 36.32 2cpm s LYS 68 CO 0.06 -0.12 0.28 0.21 -0.36 0.00 0.00 175.35 175.41 2cpm s LYS 69 N 0.89 2.67 0.48 4.03 2.36 -1.26 -1.81 119.74 127.10 2cpm s LYS 69 Ca -0.06 -1.43 -0.12 0.00 -2.55 0.00 0.00 55.97 51.81 2cpm s LYS 69 Cb -0.08 -3.83 -0.06 0.00 -1.05 0.00 0.00 37.83 32.81 2cpm s LYS 69 CO -0.05 -0.95 0.87 -0.06 1.55 0.00 0.00 175.35 176.70 2cpm s PHE 70 N 1.46 3.50 -0.11 4.03 0.08 -0.54 -5.03 117.98 121.36 2cpm s PHE 70 Ca 0.03 1.18 -0.05 0.00 0.12 0.00 0.00 56.93 58.21 2cpm s PHE 70 Cb -0.23 -2.57 -0.04 0.00 -0.57 0.00 0.00 43.02 39.61 2cpm s PHE 70 CO 0.03 -0.28 0.06 -1.14 -0.10 0.00 0.00 175.22 173.79 2cpm s GLN 71 N -4.20 3.30 -0.93 0.44 0.74 -1.26 -3.82 119.66 113.93 2cpm s GLN 71 Ca 0.54 -0.30 -0.24 0.00 0.05 0.00 0.00 55.36 55.41 2cpm s GLN 71 Cb -0.10 -3.00 -0.05 0.00 1.10 0.00 0.00 33.01 30.95 2cpm s GLN 71 CO 0.36 0.67 1.95 -1.25 -0.55 0.00 0.00 175.29 176.46 2cpm s PRO 72 N -0.75 2.55 -0.06 1.67 0.04 -1.26 -4.75 135.00 132.44 2cpm s PRO 72 Ca 0.12 -0.38 -0.15 0.00 0.04 0.00 0.00 61.00 60.63 2cpm s PRO 72 Cb -0.12 -5.08 -0.30 0.00 0.04 0.00 0.00 34.50 29.04 2cpm s PRO 72 CO 0.03 -3.44 0.71 0.52 0.04 0.00 0.00 177.00 174.86 2cpm h MET 73 N 11.13 0.35 -5.10 4.56 2.86 -1.96 -3.48 114.93 123.29 2cpm h MET 73 Ca 0.11 -0.60 -0.57 0.00 -2.06 0.00 0.00 59.70 56.57 2cpm h MET 73 Cb 1.00 0.22 -0.13 0.00 0.06 0.00 0.00 31.60 32.75 2cpm h MET 73 CO 1.21 1.29 -0.53 1.21 1.06 0.00 0.00 176.91 181.15 2cpm s ASN 74 N -7.21 3.01 -0.08 1.22 2.47 -1.26 -5.07 114.94 108.02 2cpm s ASN 74 Ca -0.16 -1.63 -0.05 0.00 0.42 0.00 0.00 52.86 51.44 2cpm s ASN 74 Cb 0.04 0.43 -0.27 0.00 -1.45 0.00 0.00 41.25 40.00 2cpm s ASN 74 CO 0.83 -0.88 0.54 0.50 -3.72 0.00 0.00 177.10 174.38 2cpm h LYS 75 N 1.74 0.26 0.09 0.43 3.64 -1.99 -3.39 116.57 117.35 2cpm h LYS 75 Ca -0.38 -0.44 -0.33 0.00 -1.27 0.00 0.00 60.65 58.23 2cpm h LYS 75 Cb 1.28 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 33.24 2cpm h LYS 75 CO 0.62 1.13 -1.79 0.82 -2.27 0.00 0.00 179.45 177.96 2cpm h ILE 76 N 0.07 0.83 -1.90 2.00 1.08 -2.02 -3.35 117.51 114.21 2cpm h ILE 76 Ca -0.37 -2.56 0.55 0.00 -0.39 0.00 0.00 64.86 62.09 2cpm h ILE 76 Cb 2.05 2.56 -0.08 0.00 -3.07 0.00 0.00 36.82 38.28 2cpm h ILE 76 CO 0.12 0.77 1.37 -0.33 -0.69 0.00 0.00 178.15 179.39 2cpm h GLU 77 N 0.05 0.00 0.84 2.37 5.08 -1.98 0.25 114.58 121.19 2cpm h GLU 77 Ca -0.34 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.98 2cpm h GLU 77 Cb 2.03 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.29 2cpm h GLU 77 CO 0.11 0.00 -0.41 -0.09 -1.00 0.00 0.00 179.01 177.62 2cpm h ARG 78 N 0.00 -1.10 -0.77 2.33 1.12 -1.77 -1.17 114.38 113.02 2cpm h ARG 78 Ca 0.90 0.07 0.03 0.00 -1.11 0.00 0.00 59.98 59.88 2cpm h ARG 78 Cb 3.64 0.25 -0.05 0.00 -0.01 0.00 0.00 29.97 33.81 2cpm h ARG 78 CO -0.01 -0.73 0.50 1.03 -3.11 0.00 0.00 179.97 177.65 2cpm h SER 79 N -1.14 0.83 0.17 -3.80 0.87 -0.76 -1.78 113.55 107.94 2cpm h SER 79 Ca -0.12 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.45 2cpm h SER 79 Cb 0.87 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.61 2cpm h SER 79 CO 0.19 0.58 -0.32 0.40 -0.53 0.00 0.00 176.83 177.14 2cpm h ILE 80 N 0.98 0.32 -0.36 2.23 2.04 -1.31 -2.10 117.51 119.31 2cpm h ILE 80 Ca 0.30 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.21 2cpm h ILE 80 Cb -0.02 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.34 2cpm h ILE 80 CO -0.10 0.00 0.10 0.25 0.00 0.00 0.00 178.15 178.40 2cpm h LEU 81 N -0.58 0.08 -0.71 1.44 5.85 -1.00 -2.18 115.31 118.21 2cpm h LEU 81 Ca 0.02 0.05 0.16 0.00 0.84 0.00 0.00 57.88 58.94 2cpm h LEU 81 Cb 0.59 0.05 -0.12 0.00 0.37 0.00 0.00 40.66 41.55 2cpm h LEU 81 CO -0.16 0.08 0.04 0.45 -0.34 0.00 0.00 178.44 178.51 2cpm h HIS 82 N 0.24 0.01 0.18 1.25 3.86 -0.98 -0.24 115.15 119.47 2cpm h HIS 82 Ca 0.17 0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.42 2cpm h HIS 82 Cb 0.16 0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.74 2cpm h HIS 82 CO -0.16 -0.19 -0.09 0.22 0.86 0.00 0.00 177.93 178.57 2cpm h ASP 83 N 0.14 -0.21 -0.86 2.45 1.82 -0.79 -1.64 116.42 117.33 2cpm h ASP 83 Ca 0.39 -0.02 0.17 0.00 -0.39 0.00 0.00 57.03 57.18 2cpm h ASP 83 Cb 0.67 0.05 -0.06 0.00 0.68 0.00 0.00 39.33 40.67 2cpm h ASP 83 CO -0.60 -0.12 0.57 0.58 -1.61 0.00 0.00 179.24 178.06 2cpm h VAL 84 N -0.28 0.74 0.16 2.25 2.07 -0.71 -2.07 116.25 118.41 2cpm h VAL 84 Ca -0.03 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 2cpm h VAL 84 Cb 0.22 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 2cpm h VAL 84 CO 0.04 0.09 -0.08 0.58 0.02 0.00 0.00 177.57 178.22 2cpm h VAL 85 N 0.47 0.00 -1.63 2.57 2.07 -0.65 -1.72 116.25 117.37 2cpm h VAL 85 Ca 0.44 -0.15 0.51 0.00 0.82 0.00 0.00 66.70 68.32 2cpm h VAL 85 Cb 0.98 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.64 2cpm h VAL 85 CO -0.17 0.00 1.12 1.05 0.02 0.00 0.00 177.57 179.59 2cpm h GLU 86 N -0.36 0.01 0.06 1.57 4.11 -1.13 1.53 114.58 120.38 2cpm h GLU 86 Ca -0.02 -0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.13 2cpm h GLU 86 Cb 0.16 -0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.43 2cpm h GLU 86 CO 0.04 0.01 -1.14 0.28 0.07 0.00 0.00 179.01 178.27 2cpm h VAL 87 N 0.01 1.31 -0.28 -1.06 2.07 -1.38 -3.25 116.25 113.67 2cpm h VAL 87 Ca 0.89 -2.42 -0.05 0.00 0.82 0.00 0.00 66.70 65.94 2cpm h VAL 87 Cb 3.20 2.56 -0.02 0.00 -1.52 0.00 0.00 31.29 35.52 2cpm h VAL 87 CO -0.25 0.74 -0.04 0.00 0.02 0.00 0.00 177.57 178.04 2cpm h ALA 88 N 0.41 1.41 0.00 1.67 0.00 0.31 -3.46 119.26 119.59 2cpm h ALA 88 Ca -0.15 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2cpm h ALA 88 Cb 1.80 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2cpm h ALA 88 CO 0.22 0.41 0.00 0.41 0.00 0.00 0.00 179.25 180.28 2cpm n GLY 89 N -0.88 1.77 3.47 0.00 0.00 -0.40 -5.10 105.19 104.05 2cpm n GLY 89 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 2cpm n GLY 89 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cpm s LEU 90 N 0.00 2.29 -0.19 0.99 1.43 -1.21 -4.75 118.68 117.25 2cpm s LEU 90 Ca 0.00 -1.36 -0.17 0.00 -1.03 0.00 0.00 54.13 51.57 2cpm s LEU 90 Cb 0.00 -0.46 -0.04 0.00 0.03 0.00 0.00 46.19 45.72 2cpm s LEU 90 CO 0.00 -0.57 0.45 -0.89 0.23 0.00 0.00 176.35 175.58 2cpm s THR 91 N -3.21 5.16 0.14 5.49 2.01 -0.69 -4.04 115.64 120.50 2cpm s THR 91 Ca 0.36 0.84 0.08 0.00 0.31 0.00 0.00 61.69 63.27 2cpm s THR 91 Cb 0.08 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 2cpm s THR 91 CO 0.15 0.24 -0.10 -0.94 -0.69 0.00 0.00 174.62 173.28 2cpm s SER 92 N 1.00 4.32 0.08 3.53 1.04 -1.26 -0.61 113.70 121.80 2cpm s SER 92 Ca 0.22 -0.47 -0.26 0.00 0.48 0.00 0.00 55.95 55.92 2cpm s SER 92 Cb -0.15 -0.78 0.08 0.00 0.10 0.00 0.00 66.02 65.27 2cpm s SER 92 CO 0.09 0.15 0.87 -0.36 0.98 0.00 0.00 173.24 174.97 2cpm s PHE 93 N -1.40 -0.29 -0.08 5.02 0.08 -0.47 -5.00 117.98 115.85 2cpm s PHE 93 Ca 0.23 0.07 0.03 0.00 0.12 0.00 0.00 56.93 57.38 2cpm s PHE 93 Cb -0.10 0.58 0.01 0.00 -0.57 0.00 0.00 43.02 42.94 2cpm s PHE 93 CO 0.14 -0.71 -0.18 0.45 -0.10 0.00 0.00 175.22 174.82 2cpm s SER 94 N -2.69 2.39 -0.03 1.36 0.15 -1.26 -0.05 113.70 113.58 2cpm s SER 94 Ca 0.07 -0.42 -0.01 0.00 0.70 0.00 0.00 55.95 56.30 2cpm s SER 94 Cb -0.01 -1.03 0.03 0.00 -1.71 0.00 0.00 66.02 63.29 2cpm s SER 94 CO -0.05 0.11 0.04 -0.36 1.20 0.00 0.00 173.24 174.18 2cpm s PHE 95 N 0.43 0.05 0.03 3.44 0.08 0.07 -4.96 117.98 117.12 2cpm s PHE 95 Ca -0.15 0.17 0.01 0.00 0.12 0.00 0.00 56.93 57.08 2cpm s PHE 95 Cb -0.16 -0.33 -0.02 0.00 -0.57 0.00 0.00 43.02 41.94 2cpm s PHE 95 CO 0.06 -0.13 -0.05 0.20 -0.10 0.00 0.00 175.22 175.20 2cpm s GLY 96 N 1.45 0.36 -0.04 4.36 0.00 -1.26 -2.49 107.32 109.71 2cpm s GLY 96 Ca -0.04 -0.64 -0.24 0.00 0.00 0.00 0.00 44.72 43.80 2cpm s GLY 96 CO -0.03 -0.69 1.08 0.83 0.00 0.00 0.00 173.10 174.29 2cpm h GLU 97 N 4.70 0.20 -6.49 2.90 5.08 -1.94 -3.46 114.58 115.58 2cpm h GLU 97 Ca -0.33 -0.20 -0.68 0.00 -1.00 0.00 0.00 59.36 57.14 2cpm h GLU 97 Cb 1.21 0.05 -0.21 0.00 0.50 0.00 0.00 28.75 30.30 2cpm h GLU 97 CO 0.42 0.90 -0.78 -0.51 -1.00 0.00 0.00 179.01 178.04 2cpm s ASP 98 N -6.31 4.00 0.34 1.42 1.11 -1.22 -5.01 116.67 110.99 2cpm s ASP 98 Ca -0.15 -0.34 0.13 0.00 0.18 0.00 0.00 52.55 52.37 2cpm s ASP 98 Cb 0.02 -0.73 1.05 0.00 1.07 0.00 0.00 42.92 44.32 2cpm s ASP 98 CO 0.75 0.27 1.66 -2.24 1.18 0.00 0.00 175.17 176.78 2cpm h ASP 99 N 4.61 0.44 -0.32 0.27 2.03 -2.05 0.44 116.42 121.84 2cpm h ASP 99 Ca -0.48 0.20 -0.12 0.00 -0.73 0.00 0.00 57.03 55.90 2cpm h ASP 99 Cb 1.16 0.16 -0.01 0.00 -0.83 0.00 0.00 39.33 39.81 2cpm h ASP 99 CO 0.49 -0.15 -0.27 0.44 -1.03 0.00 0.00 179.24 178.72 2cpm h ASP 100 N 0.29 0.79 -3.60 4.15 3.32 -1.99 -3.41 116.42 115.97 2cpm h ASP 100 Ca 0.72 -0.45 -0.64 0.00 0.02 0.00 0.00 57.03 56.68 2cpm h ASP 100 Cb 1.63 -0.22 -0.15 0.00 0.22 0.00 0.00 39.33 40.81 2cpm h ASP 100 CO -0.62 1.08 -0.04 0.00 -1.72 0.00 0.00 179.24 177.94 2cpm s ARG 102 N 2.39 0.20 0.34 0.00 0.52 -1.26 -3.43 118.95 117.72 2cpm s ARG 102 Ca 0.19 -0.11 0.07 0.00 -0.52 0.00 0.00 55.73 55.36 2cpm s ARG 102 Cb -0.15 -1.76 -0.01 0.00 0.52 0.00 0.00 34.95 33.55 2cpm s ARG 102 CO 0.13 -0.62 0.47 1.52 0.02 0.00 0.00 175.30 176.81 2cpm s TYR 103 N 2.07 3.08 -0.08 -0.53 -0.85 -1.04 -4.59 117.35 115.41 2cpm s TYR 103 Ca 0.02 -0.24 0.02 0.00 -0.52 0.00 0.00 57.07 56.35 2cpm s TYR 103 Cb -0.16 -2.02 -0.02 0.00 0.38 0.00 0.00 41.96 40.15 2cpm s TYR 103 CO -0.08 -0.03 -0.14 0.54 -1.52 0.00 0.00 175.55 174.31 2cpm s VAL 104 N -2.19 2.99 0.27 -3.49 0.11 -1.25 -0.75 120.40 116.09 2cpm s VAL 104 Ca 0.46 -0.72 0.09 0.00 -2.93 0.00 0.00 61.98 58.87 2cpm s VAL 104 Cb -0.09 -2.20 -0.05 0.00 -1.53 0.00 0.00 36.38 32.50 2cpm s VAL 104 CO 0.31 0.56 -0.13 -0.04 -3.33 0.00 0.00 175.10 172.47 2cpm s MET 105 N -0.26 1.56 -0.00 1.54 -1.94 0.93 -1.47 119.30 119.66 2cpm s MET 105 Ca 0.01 -1.75 -0.02 0.00 -1.71 0.00 0.00 55.69 52.23 2cpm s MET 105 Cb -0.13 -1.41 -0.00 0.00 2.01 0.00 0.00 34.83 35.30 2cpm s MET 105 CO 0.03 0.18 0.04 0.96 -0.01 0.00 0.00 175.02 176.22 2cpm s ILE 106 N -2.79 0.05 0.24 2.53 -4.36 -0.75 -1.36 121.20 114.76 2cpm s ILE 106 Ca 0.28 -0.42 0.04 0.00 -0.26 0.00 0.00 60.65 60.29 2cpm s ILE 106 Cb -0.00 -0.20 -0.05 0.00 1.25 0.00 0.00 42.46 43.45 2cpm s ILE 106 CO 0.12 -0.23 0.00 -0.36 0.24 0.00 0.00 174.94 174.71 2cpm s PHE 107 N -0.70 1.62 0.75 1.37 0.40 0.22 -1.82 117.98 119.82 2cpm s PHE 107 Ca -0.08 -0.93 -0.07 0.00 -0.60 0.00 0.00 56.93 55.26 2cpm s PHE 107 Cb -0.05 -0.95 0.11 0.00 0.51 0.00 0.00 43.02 42.64 2cpm s PHE 107 CO -0.00 -0.03 1.06 0.15 0.70 0.00 0.00 175.22 177.10 2cpm s LYS 108 N -3.87 1.74 0.04 0.44 1.02 -1.04 -1.70 119.74 116.37 2cpm s LYS 108 Ca 0.30 -0.56 -0.26 0.00 0.02 0.00 0.00 55.97 55.47 2cpm s LYS 108 Cb 0.06 -2.16 -0.17 0.00 -0.52 0.00 0.00 37.83 35.03 2cpm s LYS 108 CO 0.10 -1.51 1.45 -0.22 -0.92 0.00 0.00 175.35 174.25 2cpm h LYS 109 N -0.76 -0.25 -0.02 1.68 3.64 -1.92 0.35 116.57 119.29 2cpm h LYS 109 Ca -0.42 0.02 -0.24 0.00 -1.27 0.00 0.00 60.65 58.74 2cpm h LYS 109 Cb 1.28 0.06 0.01 0.00 -0.41 0.00 0.00 32.23 33.17 2cpm h LYS 109 CO 0.49 -0.00 -0.96 1.49 -2.27 0.00 0.00 179.45 178.21 2cpm h GLU 110 N -0.48 0.59 -0.71 1.90 4.81 -1.97 -3.11 114.58 115.61 2cpm h GLU 110 Ca -0.03 -0.60 0.00 0.00 -0.13 0.00 0.00 59.36 58.60 2cpm h GLU 110 Cb 0.37 0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.91 2cpm h GLU 110 CO 0.04 1.22 0.00 1.19 -0.73 0.00 0.00 179.01 180.73 2cpm n PHE 111 N -3.82 0.94 -2.31 0.92 3.72 -1.22 -4.93 117.46 110.76 2cpm n PHE 111 Ca -0.09 -0.34 -0.38 0.00 -0.05 0.00 0.00 57.45 56.59 2cpm n PHE 111 Cb 0.84 -0.25 -0.02 0.00 -0.94 0.00 0.00 39.48 39.11 2cpm n PHE 111 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2cpm s ALA 112 N -1.81 3.11 0.77 4.37 0.00 0.12 -4.23 121.76 124.09 2cpm s ALA 112 Ca 0.27 0.93 -0.11 0.00 0.00 0.00 0.00 51.96 53.06 2cpm s ALA 112 Cb 0.19 -3.37 0.06 0.00 0.00 0.00 0.00 23.12 20.00 2cpm s ALA 112 CO 0.10 -0.52 1.09 -1.25 0.00 0.00 0.00 175.76 175.18 2cpm s PRO 113 N -2.40 2.27 0.40 0.00 0.04 -1.26 -5.01 135.00 129.03 2cpm s PRO 113 Ca 0.58 1.18 0.02 0.00 0.04 0.00 0.00 61.00 62.82 2cpm s PRO 113 Cb -0.29 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 2cpm s PRO 113 CO 0.37 -1.64 0.59 -1.12 0.04 0.00 0.00 177.00 175.24 2cpm s SER 114 N -3.37 5.91 0.02 6.66 0.01 -1.26 -4.92 113.70 116.76 2cpm s SER 114 Ca 0.61 0.13 -0.10 0.00 1.31 0.00 0.00 55.95 57.91 2cpm s SER 114 Cb -0.17 -1.47 -0.05 0.00 0.21 0.00 0.00 66.02 64.54 2cpm s SER 114 CO 0.56 -0.58 1.16 -0.78 0.41 0.00 0.00 173.24 174.01 2cpm h ASP 115 N 0.60 -0.39 -0.67 2.44 1.82 -1.99 0.52 116.42 118.76 2cpm h ASP 115 Ca -0.46 0.03 0.12 0.00 -0.39 0.00 0.00 57.03 56.32 2cpm h ASP 115 Cb 1.25 0.13 -0.08 0.00 0.68 0.00 0.00 39.33 41.30 2cpm h ASP 115 CO 0.56 -0.19 0.24 -0.08 -1.61 0.00 0.00 179.24 178.16 2cpm h GLU 116 N -0.29 0.39 -0.95 0.28 4.57 -2.00 -0.40 114.58 116.16 2cpm h GLU 116 Ca -0.02 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.15 2cpm h GLU 116 Cb 0.25 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.71 2cpm h GLU 116 CO -0.01 0.26 0.63 0.93 -1.18 0.00 0.00 179.01 179.64 2cpm h GLU 117 N 0.40 1.25 -0.22 1.92 5.08 -1.92 -2.36 114.58 118.73 2cpm h GLU 117 Ca 0.35 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.65 2cpm h GLU 117 Cb 0.49 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2cpm h GLU 117 CO -0.36 0.83 0.10 -0.07 -1.00 0.00 0.00 179.01 178.51 2cpm h LEU 118 N 1.29 0.15 -0.39 1.33 3.38 0.18 0.34 115.31 121.58 2cpm h LEU 118 Ca 0.35 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.36 2cpm h LEU 118 Cb -0.15 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2cpm h LEU 118 CO -0.08 0.12 0.19 -0.78 0.09 0.00 0.00 178.44 177.99 2cpm h ASP 119 N 0.22 0.28 -0.56 -0.43 3.58 -1.05 -2.30 116.42 116.17 2cpm h ASP 119 Ca 0.09 0.02 -0.11 0.00 0.42 0.00 0.00 57.03 57.45 2cpm h ASP 119 Cb 0.03 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 2cpm h ASP 119 CO -0.07 0.21 -0.07 0.77 -2.88 0.00 0.00 179.24 177.20 2cpm h SER 120 N 0.40 1.03 -0.41 2.28 4.64 -1.12 -2.44 113.55 117.93 2cpm h SER 120 Ca 0.17 -0.33 0.08 0.00 -0.47 0.00 0.00 61.79 61.23 2cpm h SER 120 Cb 0.07 -0.28 -0.07 0.00 -0.31 0.00 0.00 62.40 61.81 2cpm h SER 120 CO -0.12 1.12 -0.04 1.88 -0.87 0.00 0.00 176.83 178.80 2cpm h TYR 121 N 0.92 -0.10 -0.06 4.77 0.05 0.11 0.27 116.97 122.93 2cpm h TYR 121 Ca 0.15 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.96 2cpm h TYR 121 Cb 0.63 0.11 -0.00 0.00 1.01 0.00 0.00 36.73 38.48 2cpm h TYR 121 CO 0.04 -0.12 0.01 0.00 -1.05 0.00 0.00 178.16 177.05 2cpm h ARG 122 N 0.06 0.10 -0.11 4.88 3.08 -1.36 -2.72 114.38 118.31 2cpm h ARG 122 Ca 0.20 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.26 2cpm h ARG 122 Cb 0.30 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 2cpm h ARG 122 CO -0.37 0.31 0.09 0.00 -1.07 0.00 0.00 179.97 178.92 2cpm h ARG 123 N -0.12 0.00 0.00 0.04 3.08 -0.93 -3.47 114.38 112.98 2cpm h ARG 123 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2cpm h ARG 123 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2cpm h ARG 123 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 2cpm n GLY 124 N -1.51 0.97 0.07 0.04 0.00 0.92 -4.89 105.19 100.79 2cpm n GLY 124 Ca -0.00 -1.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.03 2cpm n GLY 124 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2cpm h SER 125 N 0.00 0.00 -0.88 1.61 0.87 -1.82 -3.32 113.55 110.00 2cpm h SER 125 Ca 0.00 -0.59 -0.07 0.00 -1.23 0.00 0.00 61.79 59.90 2cpm h SER 125 Cb 0.00 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 61.78 2cpm h SER 125 CO 0.00 0.91 -0.42 -0.83 -0.53 0.00 0.00 176.83 175.97 2cpm s GLY 126 N -4.12 -1.33 0.00 5.77 0.00 -1.26 -4.97 107.32 101.41 2cpm s GLY 126 Ca -0.15 0.10 0.15 0.00 0.00 0.00 0.00 44.72 44.82 2cpm s GLY 126 CO 0.46 3.76 1.37 -1.55 0.00 0.00 0.00 173.10 177.14 2cpm n PRO 127 N 3.70 0.36 -0.26 2.90 -0.04 -1.26 -3.96 135.00 136.44 2cpm n PRO 127 Ca 0.13 0.07 0.09 0.00 -0.04 0.00 0.00 63.50 63.75 2cpm n PRO 127 Cb 0.58 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.71 2cpm n PRO 127 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2cpm n SER 128 N -1.13 -0.15 -0.08 3.54 7.64 -1.26 0.17 113.62 122.35 2cpm n SER 128 Ca 0.09 1.26 -0.07 0.00 1.01 0.00 0.00 58.87 61.17 2cpm n SER 128 Cb 0.08 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 2cpm n SER 128 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2cpm h SER 129 N 0.00 -0.08 0.00 6.43 0.02 -2.04 -3.57 113.55 114.31 2cpm h SER 129 Ca 0.41 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 2cpm h SER 129 Cb 0.78 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.43 2cpm h SER 129 CO -0.72 -0.01 0.00 0.61 -1.14 0.00 0.00 176.83 175.58