#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 -0.33 0.46 1.61 1.04 -1.26 -5.17 113.70 110.06 2cpm s SER 38 Ca 0.00 0.14 -0.09 0.00 0.48 0.00 0.00 55.95 56.48 2cpm s SER 38 Cb 0.00 0.42 -0.05 0.00 0.10 0.00 0.00 66.02 66.49 2cpm s SER 38 CO 0.00 -0.61 0.82 -0.94 0.98 0.00 0.00 173.24 173.49 2cpm s SER 39 N -1.71 6.40 0.00 7.02 1.04 -1.26 -4.45 113.70 120.74 2cpm s SER 39 Ca -0.08 1.11 0.00 0.00 0.48 0.00 0.00 55.95 57.46 2cpm s SER 39 Cb -0.02 -2.32 0.00 0.00 0.10 0.00 0.00 66.02 63.78 2cpm s SER 39 CO 0.01 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.31 2cpm n GLY 40 N -1.82 2.76 3.77 7.32 0.00 -1.26 -5.06 105.19 110.89 2cpm n GLY 40 Ca 0.02 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 2cpm n GLY 40 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cpm s SER 41 N 0.00 4.46 0.82 1.61 0.15 -1.26 -5.05 113.70 114.43 2cpm s SER 41 Ca 0.00 1.73 -0.09 0.00 0.70 0.00 0.00 55.95 58.29 2cpm s SER 41 Cb 0.00 -2.45 0.14 0.00 -1.71 0.00 0.00 66.02 61.99 2cpm s SER 41 CO 0.00 -2.05 1.15 -0.44 1.20 0.00 0.00 173.24 173.10 2cpm s SER 42 N -3.46 3.97 0.00 5.45 0.01 -1.26 -4.97 113.70 113.44 2cpm s SER 42 Ca 0.61 0.18 0.00 0.00 1.31 0.00 0.00 55.95 58.06 2cpm s SER 42 Cb -0.17 -0.50 0.00 0.00 0.21 0.00 0.00 66.02 65.56 2cpm s SER 42 CO 0.56 -2.16 0.00 0.61 0.41 0.00 0.00 173.24 172.66 2cpm n GLY 43 N -3.27 0.34 3.21 3.44 0.00 -1.26 -5.15 105.19 102.49 2cpm n GLY 43 Ca 0.13 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 2cpm n GLY 43 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2cpm s GLN 44 N 0.00 0.87 0.15 1.61 -2.07 -1.26 -5.06 119.66 113.91 2cpm s GLN 44 Ca 0.00 -1.09 -0.16 0.00 -1.82 0.00 0.00 55.36 52.30 2cpm s GLN 44 Cb 0.00 0.32 0.02 0.00 -1.09 0.00 0.00 33.01 32.26 2cpm s GLN 44 CO 0.00 -0.27 1.78 0.87 -1.32 0.00 0.00 175.29 176.34 2cpm h LYS 45 N 2.79 0.60 -0.30 9.60 1.79 -2.02 -3.21 116.57 125.81 2cpm h LYS 45 Ca -0.34 -0.06 0.03 0.00 -2.18 0.00 0.00 60.65 58.10 2cpm h LYS 45 Cb 1.19 -0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 31.69 2cpm h LYS 45 CO 0.57 0.45 -0.18 0.28 -1.08 0.00 0.00 179.45 179.49 2cpm n VAL 46 N -4.73 -0.21 -0.32 0.50 0.31 -1.26 -0.52 118.33 112.10 2cpm n VAL 46 Ca 0.01 1.38 -0.08 0.00 -0.01 0.00 0.00 64.34 65.63 2cpm n VAL 46 Cb 0.06 -1.77 -0.08 0.00 -0.91 0.00 0.00 33.84 31.15 2cpm n VAL 46 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2cpm n GLU 47 N -3.64 -0.34 -0.08 5.55 1.02 -1.21 0.07 120.64 122.01 2cpm n GLU 47 Ca 0.01 1.23 -0.07 0.00 -0.02 0.00 0.00 57.16 58.31 2cpm n GLU 47 Cb 0.08 -1.82 -0.00 0.00 -0.02 0.00 0.00 31.44 29.68 2cpm n GLU 47 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2cpm h PHE 48 N 0.00 -0.40 -0.72 -0.32 3.57 -0.93 -1.93 116.94 116.20 2cpm h PHE 48 Ca 0.12 0.04 0.13 0.00 3.53 0.00 0.00 57.97 61.79 2cpm h PHE 48 Cb 0.31 0.23 -0.14 0.00 2.79 0.00 0.00 35.95 39.15 2cpm h PHE 48 CO -0.86 -0.24 -0.27 -0.09 -2.23 0.00 0.00 178.31 174.62 2cpm h ARG 49 N -0.12 -0.06 0.19 1.11 2.43 0.12 -0.50 114.38 117.54 2cpm h ARG 49 Ca 0.16 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.35 2cpm h ARG 49 Cb 0.37 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 2cpm h ARG 49 CO -0.39 -0.04 -0.26 0.87 -1.51 0.00 0.00 179.97 178.64 2cpm h LYS 50 N -0.07 -0.49 -0.76 0.20 1.57 -0.53 -1.50 116.57 114.99 2cpm h LYS 50 Ca 0.31 0.03 0.17 0.00 -1.87 0.00 0.00 60.65 59.30 2cpm h LYS 50 Cb 0.56 0.11 -0.12 0.00 0.08 0.00 0.00 32.23 32.86 2cpm h LYS 50 CO -0.77 -0.33 0.09 -0.09 -0.57 0.00 0.00 179.45 177.78 2cpm h ARG 51 N -0.51 0.16 -0.60 3.15 2.43 -0.63 0.12 114.38 118.50 2cpm h ARG 51 Ca 0.01 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2cpm h ARG 51 Cb 0.51 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 2cpm h ARG 51 CO -0.11 0.11 0.35 0.52 -1.51 0.00 0.00 179.97 179.33 2cpm h MET 52 N 0.17 0.82 -0.57 0.20 2.86 -0.72 -2.01 114.93 115.68 2cpm h MET 52 Ca 0.43 -0.08 0.11 0.00 -2.06 0.00 0.00 59.70 58.09 2cpm h MET 52 Cb 0.76 -0.17 -0.08 0.00 0.06 0.00 0.00 31.60 32.17 2cpm h MET 52 CO -0.61 0.60 0.10 0.93 1.06 0.00 0.00 176.91 178.99 2cpm h GLU 53 N 0.81 0.22 0.63 1.72 5.08 0.25 0.20 114.58 123.50 2cpm h GLU 53 Ca 0.21 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 2cpm h GLU 53 Cb 0.00 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.21 2cpm h GLU 53 CO -0.04 0.14 -0.30 -0.22 -1.00 0.00 0.00 179.01 177.59 2cpm h LYS 54 N 0.22 -0.81 -0.65 2.33 1.63 -1.12 -2.34 116.57 115.82 2cpm h LYS 54 Ca 0.30 0.06 0.14 0.00 -0.85 0.00 0.00 60.65 60.29 2cpm h LYS 54 Cb 0.44 0.18 -0.11 0.00 -0.60 0.00 0.00 32.23 32.15 2cpm h LYS 54 CO -0.40 -0.50 0.03 0.93 -3.45 0.00 0.00 179.45 176.05 2cpm h GLU 55 N -1.08 0.13 0.28 1.90 4.39 -1.06 -0.94 114.58 118.21 2cpm h GLU 55 Ca -0.09 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 2cpm h GLU 55 Cb 0.69 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.30 2cpm h GLU 55 CO 0.14 0.09 -0.33 0.28 -1.16 0.00 0.00 179.01 178.03 2cpm h VAL 56 N 0.14 0.00 -0.49 3.13 2.07 -0.59 -1.78 116.25 118.73 2cpm h VAL 56 Ca 0.35 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.95 2cpm h VAL 56 Cb 0.57 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.24 2cpm h VAL 56 CO -0.54 0.00 -0.36 -1.28 0.02 0.00 0.00 177.57 175.40 2cpm h SER 57 N -0.62 -1.23 -0.83 0.57 0.87 -0.98 0.70 113.55 112.04 2cpm h SER 57 Ca -0.03 0.22 0.21 0.00 -1.23 0.00 0.00 61.79 60.95 2cpm h SER 57 Cb 0.55 0.58 -0.13 0.00 -0.44 0.00 0.00 62.40 62.95 2cpm h SER 57 CO -0.06 -0.33 0.16 -0.78 -0.53 0.00 0.00 176.83 175.29 2cpm h ASP 58 N -0.23 -0.11 -0.67 6.23 1.82 -1.03 0.26 116.42 122.68 2cpm h ASP 58 Ca 0.19 0.19 -0.03 0.00 -0.39 0.00 0.00 57.03 56.98 2cpm h ASP 58 Cb 0.56 0.28 -0.03 0.00 0.68 0.00 0.00 39.33 40.82 2cpm h ASP 58 CO -0.61 -0.15 0.29 0.15 -1.61 0.00 0.00 179.24 177.31 2cpm h PHE 59 N 0.19 1.00 0.02 0.28 3.04 0.00 -2.05 116.94 119.42 2cpm h PHE 59 Ca 0.49 -0.06 0.03 0.00 3.98 0.00 0.00 57.97 62.41 2cpm h PHE 59 Cb 0.94 -0.30 -0.04 0.00 2.56 0.00 0.00 35.95 39.10 2cpm h PHE 59 CO -0.32 0.77 -0.26 0.82 -2.02 0.00 0.00 178.31 177.30 2cpm h ILE 60 N 0.95 0.41 -0.93 1.41 2.04 0.61 -2.22 117.51 119.78 2cpm h ILE 60 Ca 0.23 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.10 2cpm h ILE 60 Cb 0.17 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 36.61 2cpm h ILE 60 CO -0.02 0.00 0.62 1.56 0.00 0.00 0.00 178.15 180.30 2cpm h GLN 61 N -0.42 1.21 -6.17 2.37 4.20 -1.28 -3.40 115.11 111.62 2cpm h GLN 61 Ca 0.06 -0.07 -0.57 0.00 0.06 0.00 0.00 58.65 58.12 2cpm h GLN 61 Cb 0.49 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 2cpm h GLN 61 CO -0.21 0.80 1.33 -0.51 -0.67 0.00 0.00 178.83 179.57 2cpm s ASP 62 N -6.03 5.92 -0.11 1.46 1.11 -0.78 -4.87 116.67 113.38 2cpm s ASP 62 Ca -0.13 1.92 -0.24 0.00 0.18 0.00 0.00 52.55 54.28 2cpm s ASP 62 Cb 0.17 -2.52 -0.27 0.00 1.07 0.00 0.00 42.92 41.37 2cpm s ASP 62 CO 0.81 -1.58 0.72 0.77 1.18 0.00 0.00 175.17 177.07 2cpm h SER 63 N 12.88 0.22 -1.00 0.27 4.64 -1.81 -3.34 113.55 125.42 2cpm h SER 63 Ca -0.40 -0.91 0.39 0.00 -0.47 0.00 0.00 61.79 60.39 2cpm h SER 63 Cb 1.21 -0.07 -0.17 0.00 -0.31 0.00 0.00 62.40 63.06 2cpm h SER 63 CO 0.97 1.28 0.52 1.23 -0.87 0.00 0.00 176.83 179.97 2cpm h GLY 64 N -0.62 2.17 -6.21 -0.77 0.00 -1.95 -3.35 103.07 92.33 2cpm h GLY 64 Ca -0.13 -0.16 -0.60 0.00 0.00 0.00 0.00 47.33 46.44 2cpm h GLY 64 CO 0.04 -0.71 0.03 1.20 0.00 0.00 0.00 176.54 177.11 2cpm s GLN 65 N -5.58 4.18 -0.02 4.80 -0.21 -1.25 -4.93 119.66 116.64 2cpm s GLN 65 Ca -0.09 0.49 0.20 0.00 0.02 0.00 0.00 55.36 55.97 2cpm s GLN 65 Cb 0.33 -3.58 -0.23 0.00 1.00 0.00 0.00 33.01 30.52 2cpm s GLN 65 CO 0.78 -0.22 0.54 0.44 -2.12 0.00 0.00 175.29 174.71 2cpm n ILE 66 N 4.71 0.61 -3.97 1.08 -5.35 -1.26 -4.92 119.36 110.26 2cpm n ILE 66 Ca -0.03 -0.62 -0.08 0.00 -0.27 0.00 0.00 62.75 61.75 2cpm n ILE 66 Cb 0.50 -0.28 -0.08 0.00 -1.74 0.00 0.00 39.64 38.03 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 -3.17 0.76 -0.04 6.28 -2.85 -1.26 -2.38 119.74 117.09 2cpm s LYS 67 Ca -0.06 -1.09 -0.01 0.00 -1.00 0.00 0.00 55.97 53.80 2cpm s LYS 67 Cb 0.11 0.29 0.03 0.00 -2.06 0.00 0.00 37.83 36.19 2cpm s LYS 67 CO 0.86 -0.21 0.05 0.21 0.10 0.00 0.00 175.35 176.36 2cpm s LYS 68 N -3.89 -0.03 -0.37 1.78 2.20 -0.80 -5.03 119.74 113.60 2cpm s LYS 68 Ca 0.07 0.31 -0.14 0.00 -0.36 0.00 0.00 55.97 55.85 2cpm s LYS 68 Cb 0.06 -0.46 -0.00 0.00 -1.51 0.00 0.00 37.83 35.91 2cpm s LYS 68 CO -0.10 -0.28 0.30 0.21 -0.36 0.00 0.00 175.35 175.12 2cpm s LYS 69 N 1.87 3.35 0.68 4.03 2.20 -1.26 -1.68 119.74 128.92 2cpm s LYS 69 Ca 0.01 -0.69 -0.07 0.00 -0.36 0.00 0.00 55.97 54.87 2cpm s LYS 69 Cb -0.12 -3.86 0.05 0.00 -1.51 0.00 0.00 37.83 32.38 2cpm s LYS 69 CO -0.03 -0.58 0.99 -0.06 -0.36 0.00 0.00 175.35 175.31 2cpm s PHE 70 N 1.83 3.01 -0.05 4.03 0.08 0.27 -5.01 117.98 122.14 2cpm s PHE 70 Ca 0.08 0.52 0.05 0.00 0.12 0.00 0.00 56.93 57.69 2cpm s PHE 70 Cb -0.18 -3.08 -0.02 0.00 -0.57 0.00 0.00 43.02 39.17 2cpm s PHE 70 CO 0.11 -1.26 -0.18 -0.65 -0.10 0.00 0.00 175.22 173.14 2cpm s GLN 71 N -5.19 2.47 -1.15 0.44 -0.21 -1.26 -3.95 119.66 110.82 2cpm s GLN 71 Ca 0.58 -0.78 -0.23 0.00 0.02 0.00 0.00 55.36 54.96 2cpm s GLN 71 Cb -0.11 -2.28 -0.08 0.00 1.00 0.00 0.00 33.01 31.54 2cpm s GLN 71 CO 0.45 0.55 1.94 -1.25 -2.12 0.00 0.00 175.29 174.85 2cpm s PRO 72 N -0.55 2.50 0.01 2.91 0.04 -1.26 -4.71 135.00 133.95 2cpm s PRO 72 Ca 0.08 -1.06 -0.18 0.00 0.04 0.00 0.00 61.00 59.87 2cpm s PRO 72 Cb -0.11 -5.22 -0.29 0.00 0.04 0.00 0.00 34.50 28.91 2cpm s PRO 72 CO 0.01 -3.91 1.04 0.52 0.04 0.00 0.00 177.00 174.69 2cpm h MET 73 N 9.91 0.49 -5.13 4.56 2.86 -1.96 -3.48 114.93 122.18 2cpm h MET 73 Ca 0.20 -0.68 -0.55 0.00 -2.06 0.00 0.00 59.70 56.62 2cpm h MET 73 Cb 0.95 0.23 -0.13 0.00 0.06 0.00 0.00 31.60 32.70 2cpm h MET 73 CO 1.22 1.29 -0.55 1.21 1.06 0.00 0.00 176.91 181.15 2cpm s ASN 74 N -7.18 2.83 -0.04 1.22 2.47 -1.26 -5.06 114.94 107.92 2cpm s ASN 74 Ca -0.11 -1.57 -0.02 0.00 0.42 0.00 0.00 52.86 51.58 2cpm s ASN 74 Cb 0.04 0.31 -0.27 0.00 -1.45 0.00 0.00 41.25 39.88 2cpm s ASN 74 CO 0.88 -0.81 0.69 0.07 -3.72 0.00 0.00 177.10 174.21 2cpm h LYS 75 N 1.84 0.22 0.00 0.43 -0.00 -1.99 -3.37 116.57 113.69 2cpm h LYS 75 Ca -0.38 -0.37 -0.27 0.00 -0.00 0.00 0.00 60.65 59.63 2cpm h LYS 75 Cb 1.27 0.14 -0.05 0.00 -0.00 0.00 0.00 32.23 33.59 2cpm h LYS 75 CO 0.63 1.04 -1.58 0.82 -0.00 0.00 0.00 179.45 180.37 2cpm h ILE 76 N 0.06 0.90 -1.39 0.07 1.08 -2.02 -3.35 117.51 112.86 2cpm h ILE 76 Ca -0.30 -2.69 0.40 0.00 -0.39 0.00 0.00 64.86 61.88 2cpm h ILE 76 Cb 2.02 2.42 -0.06 0.00 -3.07 0.00 0.00 36.82 38.14 2cpm h ILE 76 CO 0.13 0.51 1.12 -0.33 -0.69 0.00 0.00 178.15 178.89 2cpm h GLU 77 N 0.00 0.00 0.74 2.37 5.08 -1.98 0.13 114.58 120.91 2cpm h GLU 77 Ca -0.24 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.09 2cpm h GLU 77 Cb 1.93 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.19 2cpm h GLU 77 CO 0.08 0.00 -0.36 -0.09 -1.00 0.00 0.00 179.01 177.65 2cpm h ARG 78 N 0.00 -0.96 -0.46 2.33 9.65 -1.78 -0.23 114.38 122.93 2cpm h ARG 78 Ca 0.66 0.07 0.00 0.00 -1.10 0.00 0.00 59.98 59.61 2cpm h ARG 78 Cb 2.89 0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 31.67 2cpm h ARG 78 CO -0.01 -0.63 0.31 1.03 2.80 0.00 0.00 179.97 183.47 2cpm h SER 79 N -1.02 0.53 0.41 -3.80 0.87 -1.03 -1.10 113.55 108.42 2cpm h SER 79 Ca -0.10 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 2cpm h SER 79 Cb 0.77 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 2cpm h SER 79 CO 0.17 0.38 -0.38 0.40 -0.53 0.00 0.00 176.83 176.87 2cpm h ILE 80 N 0.63 0.00 -0.74 2.23 2.04 -1.37 -1.96 117.51 118.33 2cpm h ILE 80 Ca 0.17 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.17 2cpm h ILE 80 Cb -0.07 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 35.91 2cpm h ILE 80 CO -0.04 0.00 0.29 0.25 0.00 0.00 0.00 178.15 178.66 2cpm h LEU 81 N -0.79 0.27 -0.29 1.44 5.85 -1.00 -1.72 115.31 119.07 2cpm h LEU 81 Ca -0.05 0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.84 2cpm h LEU 81 Cb 0.67 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.71 2cpm h LEU 81 CO -0.03 0.10 -0.29 0.45 -0.34 0.00 0.00 178.44 178.34 2cpm h HIS 82 N 0.44 -0.78 -0.61 1.25 3.86 -0.89 -0.39 115.15 118.02 2cpm h HIS 82 Ca 0.41 0.05 0.07 0.00 -1.16 0.00 0.00 60.37 59.74 2cpm h HIS 82 Cb 0.61 0.39 -0.06 0.00 1.06 0.00 0.00 27.41 29.41 2cpm h HIS 82 CO -0.17 -0.36 0.29 0.22 0.86 0.00 0.00 177.93 178.77 2cpm h ASP 83 N -0.27 0.37 -0.45 2.45 1.82 -0.55 -0.58 116.42 119.21 2cpm h ASP 83 Ca 0.15 0.05 0.03 0.00 -0.39 0.00 0.00 57.03 56.87 2cpm h ASP 83 Cb 0.51 -0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.48 2cpm h ASP 83 CO -0.44 0.23 0.30 0.58 -1.61 0.00 0.00 179.24 178.30 2cpm h VAL 84 N 0.52 1.04 0.34 2.25 2.07 -0.71 -1.84 116.25 119.92 2cpm h VAL 84 Ca 0.29 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.63 2cpm h VAL 84 Cb 0.27 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2cpm h VAL 84 CO -0.23 0.09 -0.16 0.58 0.02 0.00 0.00 177.57 177.86 2cpm h VAL 85 N 0.50 0.35 -0.89 2.57 2.07 0.38 -1.09 116.25 120.14 2cpm h VAL 85 Ca 0.18 -0.75 0.25 0.00 0.82 0.00 0.00 66.70 67.20 2cpm h VAL 85 Cb 0.11 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 2cpm h VAL 85 CO -0.04 0.08 0.63 1.05 0.02 0.00 0.00 177.57 179.31 2cpm h GLU 86 N -1.02 0.07 0.23 1.57 4.11 -1.11 0.10 114.58 118.53 2cpm h GLU 86 Ca -0.05 -0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.05 2cpm h GLU 86 Cb 0.48 -0.01 0.03 0.00 0.50 0.00 0.00 28.75 29.75 2cpm h GLU 86 CO 0.08 0.04 -1.43 0.28 0.07 0.00 0.00 179.01 178.05 2cpm h VAL 87 N 0.07 1.31 -0.25 -1.06 2.07 -1.33 -3.28 116.25 113.77 2cpm h VAL 87 Ca 0.43 -2.71 -0.02 0.00 0.82 0.00 0.00 66.70 65.22 2cpm h VAL 87 Cb 1.60 2.99 -0.01 0.00 -1.52 0.00 0.00 31.29 34.35 2cpm h VAL 87 CO -0.04 0.81 0.05 0.00 0.02 0.00 0.00 177.57 178.42 2cpm h ALA 88 N 0.22 1.64 0.00 1.67 0.00 0.51 -3.46 119.26 119.84 2cpm h ALA 88 Ca -0.24 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2cpm h ALA 88 Cb 2.12 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.80 2cpm h ALA 88 CO 0.27 0.28 0.00 0.41 0.00 0.00 0.00 179.25 180.20 2cpm n GLY 89 N -1.20 1.66 3.53 0.00 0.00 -0.54 -5.09 105.19 103.55 2cpm n GLY 89 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 2.51 -0.08 0.99 1.43 -1.16 -4.78 118.68 117.59 2cpm s LEU 90 Ca 0.00 -1.37 -0.21 0.00 -1.03 0.00 0.00 54.13 51.53 2cpm s LEU 90 Cb 0.00 -0.63 -0.04 0.00 0.03 0.00 0.00 46.19 45.55 2cpm s LEU 90 CO 0.00 -0.52 0.59 -0.89 0.23 0.00 0.00 176.35 175.76 2cpm s THR 91 N -3.02 5.09 -0.02 5.49 2.01 -0.37 -4.38 115.64 120.44 2cpm s THR 91 Ca 0.36 1.21 0.06 0.00 0.31 0.00 0.00 61.69 63.63 2cpm s THR 91 Cb 0.09 -3.93 -0.02 0.00 0.01 0.00 0.00 72.50 68.64 2cpm s THR 91 CO 0.17 0.31 -0.21 -0.94 -0.69 0.00 0.00 174.62 173.26 2cpm s SER 92 N 0.57 3.52 -0.23 3.53 1.04 -1.26 -0.42 113.70 120.46 2cpm s SER 92 Ca 0.32 -0.38 -0.10 0.00 0.48 0.00 0.00 55.95 56.27 2cpm s SER 92 Cb -0.17 -0.56 0.09 0.00 0.10 0.00 0.00 66.02 65.48 2cpm s SER 92 CO 0.15 0.31 0.52 -0.36 0.98 0.00 0.00 173.24 174.84 2cpm s PHE 93 N -0.72 -0.90 -0.35 5.02 0.08 -0.22 -4.98 117.98 115.92 2cpm s PHE 93 Ca 0.11 1.73 -0.20 0.00 0.12 0.00 0.00 56.93 58.70 2cpm s PHE 93 Cb -0.10 0.46 0.00 0.00 -0.57 0.00 0.00 43.02 42.80 2cpm s PHE 93 CO 0.01 -0.48 0.61 -1.12 -0.10 0.00 0.00 175.22 174.14 2cpm s SER 94 N 2.09 6.41 -0.14 1.36 0.01 -1.26 -0.95 113.70 121.21 2cpm s SER 94 Ca -0.07 0.13 0.02 0.00 1.31 0.00 0.00 55.95 57.35 2cpm s SER 94 Cb -0.09 -2.32 0.01 0.00 0.21 0.00 0.00 66.02 63.83 2cpm s SER 94 CO -0.15 -0.57 -0.21 -0.36 0.41 0.00 0.00 173.24 172.36 2cpm s PHE 95 N 2.64 2.69 -0.03 2.43 0.08 -1.06 -4.96 117.98 119.78 2cpm s PHE 95 Ca 0.23 -1.29 0.00 0.00 0.12 0.00 0.00 56.93 56.00 2cpm s PHE 95 Cb -0.15 -1.83 0.03 0.00 -0.57 0.00 0.00 43.02 40.50 2cpm s PHE 95 CO 0.14 -0.59 0.00 0.20 -0.10 0.00 0.00 175.22 174.88 2cpm s GLY 96 N 0.81 0.22 0.26 4.36 0.00 -1.26 -3.34 107.32 108.36 2cpm s GLY 96 Ca -0.07 0.18 0.11 0.00 0.00 0.00 0.00 44.72 44.95 2cpm s GLY 96 CO -0.01 0.59 1.55 1.05 0.00 0.00 0.00 173.10 176.28 2cpm h GLU 97 N 7.23 0.00 -5.11 2.90 9.09 -1.89 -3.46 114.58 123.34 2cpm h GLU 97 Ca -0.43 0.00 -0.60 0.00 0.05 0.00 0.00 59.36 58.38 2cpm h GLU 97 Cb 1.13 0.00 -0.13 0.00 -1.65 0.00 0.00 28.75 28.10 2cpm h GLU 97 CO 0.48 0.66 -0.52 -0.51 0.05 0.00 0.00 179.01 179.17 2cpm s ASP 98 N -6.74 3.29 -0.15 3.06 1.11 -1.24 -5.08 116.67 110.91 2cpm s ASP 98 Ca -0.00 -1.66 -0.19 0.00 0.18 0.00 0.00 52.55 50.88 2cpm s ASP 98 Cb 0.12 0.49 -0.24 0.00 1.07 0.00 0.00 42.92 44.36 2cpm s ASP 98 CO 0.76 -0.90 0.44 -0.78 1.18 0.00 0.00 175.17 175.88 2cpm h ASP 99 N 1.63 0.19 -0.74 0.27 1.82 -2.04 -3.38 116.42 114.18 2cpm h ASP 99 Ca -0.38 -0.75 -0.01 0.00 -0.39 0.00 0.00 57.03 55.49 2cpm h ASP 99 Cb 1.29 -0.06 -0.04 0.00 0.68 0.00 0.00 39.33 41.20 2cpm h ASP 99 CO 0.63 1.52 0.42 0.44 -1.61 0.00 0.00 179.24 180.64 2cpm h ASP 100 N -0.62 0.91 -3.63 2.28 3.32 -2.01 -3.39 116.42 113.29 2cpm h ASP 100 Ca -0.29 -0.09 -0.67 0.00 0.02 0.00 0.00 57.03 56.00 2cpm h ASP 100 Cb 1.52 -0.23 -0.24 0.00 0.22 0.00 0.00 39.33 40.60 2cpm h ASP 100 CO -0.05 0.73 -0.59 0.00 -1.72 0.00 0.00 179.24 177.61 2cpm s ARG 102 N 1.56 0.94 0.53 0.00 0.52 -1.26 -3.70 118.95 117.54 2cpm s ARG 102 Ca 0.04 -0.91 -0.02 0.00 -0.52 0.00 0.00 55.73 54.32 2cpm s ARG 102 Cb -0.17 -2.23 0.01 0.00 0.52 0.00 0.00 34.95 33.08 2cpm s ARG 102 CO 0.04 -0.80 0.79 1.52 0.02 0.00 0.00 175.30 176.87 2cpm s TYR 103 N 1.60 3.18 -0.05 -0.53 -0.85 -1.21 -4.54 117.35 114.94 2cpm s TYR 103 Ca 0.03 0.38 0.06 0.00 -0.52 0.00 0.00 57.07 57.02 2cpm s TYR 103 Cb -0.18 -2.57 -0.01 0.00 0.38 0.00 0.00 41.96 39.58 2cpm s TYR 103 CO -0.15 -0.64 -0.23 0.54 -1.52 0.00 0.00 175.55 173.55 2cpm s VAL 104 N -2.78 2.26 0.22 -3.49 0.11 -1.25 -2.56 120.40 112.90 2cpm s VAL 104 Ca 0.52 -1.00 0.09 0.00 -2.93 0.00 0.00 61.98 58.66 2cpm s VAL 104 Cb -0.10 -1.83 -0.05 0.00 -1.53 0.00 0.00 36.38 32.87 2cpm s VAL 104 CO 0.41 0.57 -0.17 -0.04 -3.33 0.00 0.00 175.10 172.54 2cpm s MET 105 N -0.29 1.44 0.01 1.54 -1.94 -0.13 -0.56 119.30 119.37 2cpm s MET 105 Ca 0.01 -1.61 -0.02 0.00 -1.71 0.00 0.00 55.69 52.35 2cpm s MET 105 Cb -0.13 -1.40 -0.01 0.00 2.01 0.00 0.00 34.83 35.30 2cpm s MET 105 CO 0.02 0.26 0.02 0.96 -0.01 0.00 0.00 175.02 176.27 2cpm s ILE 106 N -2.60 0.08 0.20 2.53 -4.36 -0.68 -1.05 121.20 115.32 2cpm s ILE 106 Ca 0.24 -0.67 0.05 0.00 -0.26 0.00 0.00 60.65 60.01 2cpm s ILE 106 Cb -0.03 -0.26 -0.05 0.00 1.25 0.00 0.00 42.46 43.37 2cpm s ILE 106 CO 0.10 -0.37 -0.07 -0.36 0.24 0.00 0.00 174.94 174.47 2cpm s PHE 107 N -1.13 1.54 0.80 1.37 0.40 0.44 -1.89 117.98 119.50 2cpm s PHE 107 Ca -0.12 -0.76 -0.11 0.00 -0.60 0.00 0.00 56.93 55.33 2cpm s PHE 107 Cb -0.07 -0.82 0.09 0.00 0.51 0.00 0.00 43.02 42.73 2cpm s PHE 107 CO -0.00 0.13 1.15 0.15 0.70 0.00 0.00 175.22 177.34 2cpm s LYS 108 N -3.76 1.88 0.07 0.44 1.02 -1.00 -1.24 119.74 117.15 2cpm s LYS 108 Ca 0.23 -0.05 -0.28 0.00 0.02 0.00 0.00 55.97 55.89 2cpm s LYS 108 Cb 0.03 -2.00 -0.17 0.00 -0.52 0.00 0.00 37.83 35.17 2cpm s LYS 108 CO 0.06 -1.59 1.65 -0.22 -0.92 0.00 0.00 175.35 174.33 2cpm h LYS 109 N -0.99 -0.46 -0.09 1.68 3.64 -1.91 0.73 116.57 119.17 2cpm h LYS 109 Ca -0.45 0.03 -0.24 0.00 -1.27 0.00 0.00 60.65 58.72 2cpm h LYS 109 Cb 1.32 0.10 0.01 0.00 -0.41 0.00 0.00 32.23 33.26 2cpm h LYS 109 CO 0.61 -0.29 -0.88 0.93 -2.27 0.00 0.00 179.45 177.55 2cpm h GLU 110 N -0.50 0.76 -0.71 1.90 4.39 -1.97 -3.09 114.58 115.35 2cpm h GLU 110 Ca -0.05 -0.69 0.00 0.00 0.34 0.00 0.00 59.36 58.96 2cpm h GLU 110 Cb 0.38 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2cpm h GLU 110 CO 0.08 1.29 0.00 1.19 -1.16 0.00 0.00 179.01 180.41 2cpm n PHE 111 N -3.91 0.77 -2.32 4.33 3.01 -1.20 -4.92 117.46 113.22 2cpm n PHE 111 Ca -0.09 -0.28 -0.38 0.00 1.01 0.00 0.00 57.45 57.71 2cpm n PHE 111 Cb 0.80 -0.21 -0.02 0.00 -0.01 0.00 0.00 39.48 40.04 2cpm n PHE 111 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2cpm s ALA 112 N -1.70 3.11 0.67 4.37 0.00 0.26 -4.20 121.76 124.26 2cpm s ALA 112 Ca 0.22 0.93 -0.15 0.00 0.00 0.00 0.00 51.96 52.96 2cpm s ALA 112 Cb 0.16 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.92 2cpm s ALA 112 CO 0.08 -0.51 1.11 -1.25 0.00 0.00 0.00 175.76 175.19 2cpm s PRO 113 N -2.39 2.75 0.35 0.00 0.04 -1.26 -5.01 135.00 129.47 2cpm s PRO 113 Ca 0.58 1.37 0.07 0.00 0.04 0.00 0.00 61.00 63.07 2cpm s PRO 113 Cb -0.29 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.30 2cpm s PRO 113 CO 0.36 -1.29 0.47 -1.12 0.04 0.00 0.00 177.00 175.47 2cpm s SER 114 N -2.65 5.87 0.03 6.66 0.01 -1.26 -4.92 113.70 117.43 2cpm s SER 114 Ca 0.66 -0.25 -0.10 0.00 1.31 0.00 0.00 55.95 57.58 2cpm s SER 114 Cb -0.20 -1.13 -0.05 0.00 0.21 0.00 0.00 66.02 64.86 2cpm s SER 114 CO 0.43 -0.47 1.16 0.44 0.41 0.00 0.00 173.24 175.20 2cpm h ASP 115 N 0.88 -0.42 -0.77 2.44 5.19 -1.99 0.59 116.42 122.35 2cpm h ASP 115 Ca -0.45 0.04 0.12 0.00 -0.62 0.00 0.00 57.03 56.12 2cpm h ASP 115 Cb 1.26 0.14 -0.08 0.00 0.18 0.00 0.00 39.33 40.83 2cpm h ASP 115 CO 0.52 -0.18 0.38 -0.33 -3.12 0.00 0.00 179.24 176.51 2cpm h GLU 116 N -0.26 0.57 -0.62 3.56 4.39 -2.00 -0.03 114.58 120.20 2cpm h GLU 116 Ca -0.01 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 2cpm h GLU 116 Cb 0.23 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 2cpm h GLU 116 CO -0.04 0.38 0.34 0.93 -1.16 0.00 0.00 179.01 179.45 2cpm h GLU 117 N 0.59 0.85 -0.09 2.33 4.39 -1.89 -2.23 114.58 118.54 2cpm h GLU 117 Ca 0.40 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 60.01 2cpm h GLU 117 Cb 0.51 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2cpm h GLU 117 CO -0.32 0.63 0.04 -0.07 -1.16 0.00 0.00 179.01 178.13 2cpm h LEU 118 N 0.86 0.12 -0.98 1.33 3.38 0.21 0.35 115.31 120.58 2cpm h LEU 118 Ca 0.22 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.10 2cpm h LEU 118 Cb 0.03 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 2cpm h LEU 118 CO -0.04 0.21 0.64 -0.78 0.09 0.00 0.00 178.44 178.56 2cpm h ASP 119 N 0.02 1.07 -0.19 -0.43 3.58 -1.12 -2.25 116.42 117.10 2cpm h ASP 119 Ca 0.03 -0.01 -0.19 0.00 0.42 0.00 0.00 57.03 57.28 2cpm h ASP 119 Cb 0.12 -0.25 0.01 0.00 1.72 0.00 0.00 39.33 40.93 2cpm h ASP 119 CO -0.00 0.75 -0.63 0.28 -2.88 0.00 0.00 179.24 176.75 2cpm h SER 120 N 1.25 0.87 -0.67 2.28 0.02 -1.16 -2.29 113.55 113.85 2cpm h SER 120 Ca 0.38 -0.60 0.10 0.00 -0.84 0.00 0.00 61.79 60.84 2cpm h SER 120 Cb -0.03 -0.26 -0.08 0.00 0.14 0.00 0.00 62.40 62.18 2cpm h SER 120 CO -0.11 1.32 0.29 1.88 -1.14 0.00 0.00 176.83 179.07 2cpm h TYR 121 N 0.48 0.51 -0.16 3.45 0.05 0.12 1.00 116.97 122.40 2cpm h TYR 121 Ca -0.03 0.03 -0.11 0.00 0.05 0.00 0.00 58.73 58.67 2cpm h TYR 121 Cb 1.25 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 38.87 2cpm h TYR 121 CO 0.09 0.14 -0.33 0.00 -1.05 0.00 0.00 178.16 177.01 2cpm h ARG 122 N 0.49 0.51 -0.05 4.88 3.08 -1.44 -3.08 114.38 118.77 2cpm h ARG 122 Ca 0.34 -0.33 0.01 0.00 0.07 0.00 0.00 59.98 60.07 2cpm h ARG 122 Cb 0.41 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 2cpm h ARG 122 CO -0.31 0.94 0.04 0.00 -1.07 0.00 0.00 179.97 179.57 2cpm h ARG 123 N 0.14 0.00 -7.66 0.04 2.47 -0.80 -3.43 114.38 105.15 2cpm h ARG 123 Ca 0.00 0.00 -0.44 0.00 -1.26 0.00 0.00 59.98 58.29 2cpm h ARG 123 Cb 0.92 0.00 0.17 0.00 -1.65 0.00 0.00 29.97 29.41 2cpm h ARG 123 CO 0.07 0.00 0.32 0.20 0.56 0.00 0.00 179.97 181.13 2cpm s GLY 124 N -4.07 1.69 0.01 0.04 0.00 0.29 -5.01 107.32 100.28 2cpm s GLY 124 Ca -0.05 -1.04 -0.26 0.00 0.00 0.00 0.00 44.72 43.36 2cpm s GLY 124 CO 0.65 -0.27 1.12 1.76 0.00 0.00 0.00 173.10 176.36 2cpm h SER 125 N -1.90 -0.76 -3.10 1.64 0.02 -1.83 -3.49 113.55 104.13 2cpm h SER 125 Ca -0.45 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2cpm h SER 125 Cb 1.26 0.20 0.00 0.00 0.14 0.00 0.00 62.40 64.00 2cpm h SER 125 CO 0.40 -0.39 0.00 0.61 -1.14 0.00 0.00 176.83 176.31 2cpm n GLY 126 N -0.62 2.12 3.65 -3.77 0.00 -1.26 -4.85 105.19 100.47 2cpm n GLY 126 Ca -0.12 -1.67 -0.29 0.00 0.00 0.00 0.00 46.02 43.94 2cpm n GLY 126 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cpm s PRO 127 N -4.38 -0.06 0.10 1.61 0.04 -1.26 -5.09 135.00 125.95 2cpm s PRO 127 Ca 0.00 0.35 -0.13 0.00 0.04 0.00 0.00 61.00 61.26 2cpm s PRO 127 Cb 0.00 -1.69 0.02 0.00 0.04 0.00 0.00 34.50 32.87 2cpm s PRO 127 CO 0.00 -3.03 0.32 -1.12 0.04 0.00 0.00 177.00 173.22 2cpm s SER 128 N -3.55 -0.11 0.01 6.66 0.01 -1.26 -5.08 113.70 110.38 2cpm s SER 128 Ca 0.67 -0.39 0.01 0.00 1.31 0.00 0.00 55.95 57.54 2cpm s SER 128 Cb -0.17 0.41 -0.01 0.00 0.21 0.00 0.00 66.02 66.47 2cpm s SER 128 CO 0.57 -0.78 -0.04 -0.94 0.41 0.00 0.00 173.24 172.47 2cpm s SER 129 N -2.69 0.43 0.00 2.44 1.04 -1.26 -5.27 113.70 108.38 2cpm s SER 129 Ca 0.02 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.25 2cpm s SER 129 Cb 0.02 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.13 2cpm s SER 129 CO -0.10 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.68