#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 5.85 0.29 1.61 0.01 -1.26 -5.08 113.70 115.13 2cpm s SER 38 Ca 0.00 0.05 -0.29 0.00 1.31 0.00 0.00 55.95 57.02 2cpm s SER 38 Cb 0.00 -1.65 -0.10 0.00 0.21 0.00 0.00 66.02 64.48 2cpm s SER 38 CO 0.00 0.12 1.35 -0.44 0.41 0.00 0.00 173.24 174.68 2cpm s SER 39 N -2.77 6.74 0.00 2.44 0.01 -1.26 -4.93 113.70 113.93 2cpm s SER 39 Ca 0.32 2.66 0.00 0.00 1.31 0.00 0.00 55.95 60.24 2cpm s SER 39 Cb -0.12 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.48 2cpm s SER 39 CO 0.25 -0.59 0.00 0.61 0.41 0.00 0.00 173.24 173.92 2cpm n GLY 40 N 1.37 3.44 3.49 3.44 0.00 -1.26 -5.14 105.19 110.53 2cpm n GLY 40 Ca 0.03 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 2cpm n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cpm s SER 41 N 0.00 4.71 -0.16 1.61 0.01 -1.26 -5.10 113.70 113.51 2cpm s SER 41 Ca 0.00 -0.14 0.01 0.00 1.31 0.00 0.00 55.95 57.13 2cpm s SER 41 Cb 0.00 -1.74 0.02 0.00 0.21 0.00 0.00 66.02 64.51 2cpm s SER 41 CO 0.00 0.18 -0.20 -0.94 0.41 0.00 0.00 173.24 172.69 2cpm s SER 42 N 0.30 3.04 0.00 2.44 1.04 -1.26 -5.08 113.70 114.17 2cpm s SER 42 Ca -0.04 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 55.78 2cpm s SER 42 Cb -0.14 -1.42 0.00 0.00 0.10 0.00 0.00 66.02 64.56 2cpm s SER 42 CO 0.03 0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.88 2cpm n GLY 43 N 4.48 2.44 3.89 7.32 0.00 -1.26 -5.15 105.19 116.91 2cpm n GLY 43 Ca -0.20 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.53 2cpm n GLY 43 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2cpm s GLN 44 N -2.00 3.37 0.47 1.61 0.74 -1.26 -4.97 119.66 117.62 2cpm s GLN 44 Ca 0.00 -0.40 0.35 0.00 0.05 0.00 0.00 55.36 55.36 2cpm s GLN 44 Cb 0.00 -3.03 1.52 0.00 1.10 0.00 0.00 33.01 32.60 2cpm s GLN 44 CO 0.00 0.64 1.60 0.87 -0.55 0.00 0.00 175.29 177.85 2cpm h LYS 45 N 3.52 0.03 -0.21 1.67 6.56 -2.01 -2.01 116.57 124.13 2cpm h LYS 45 Ca -0.47 -0.00 0.02 0.00 -1.06 0.00 0.00 60.65 59.13 2cpm h LYS 45 Cb 1.17 -0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 32.80 2cpm h LYS 45 CO 0.71 0.02 -0.12 0.28 -2.06 0.00 0.00 179.45 178.28 2cpm n VAL 46 N -4.55 -0.14 -0.31 0.50 0.31 -1.26 -0.43 118.33 112.45 2cpm n VAL 46 Ca 0.40 1.33 -0.09 0.00 -0.01 0.00 0.00 64.34 65.97 2cpm n VAL 46 Cb 1.60 -1.72 -0.05 0.00 -0.91 0.00 0.00 33.84 32.75 2cpm n VAL 46 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2cpm h GLU 47 N 0.00 -0.12 -0.09 5.55 4.39 -1.77 -1.63 114.58 120.91 2cpm h GLU 47 Ca 0.03 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.76 2cpm h GLU 47 Cb 0.09 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.72 2cpm h GLU 47 CO -0.20 -0.08 -0.41 0.35 -1.16 0.00 0.00 179.01 177.51 2cpm h PHE 48 N -0.13 -1.21 -0.80 4.33 3.57 -0.89 -2.14 116.94 119.67 2cpm h PHE 48 Ca 0.19 0.04 0.11 0.00 3.53 0.00 0.00 57.97 61.84 2cpm h PHE 48 Cb 0.52 0.54 -0.12 0.00 2.79 0.00 0.00 35.95 39.68 2cpm h PHE 48 CO -0.86 -0.41 -0.37 -2.13 -2.23 0.00 0.00 178.31 172.31 2cpm n ARG 49 N -4.70 -0.24 -0.09 1.11 3.00 -0.04 0.57 116.66 116.27 2cpm n ARG 49 Ca -0.05 1.22 -0.07 0.00 -0.00 0.00 0.00 57.85 58.96 2cpm n ARG 49 Cb 0.28 -1.81 -0.00 0.00 0.00 0.00 0.00 32.46 30.93 2cpm n ARG 49 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 2cpm h LYS 50 N 0.00 -0.17 -0.43 -0.14 1.57 -0.89 0.34 116.57 116.84 2cpm h LYS 50 Ca 0.23 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.06 2cpm h LYS 50 Cb 0.43 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.73 2cpm h LYS 50 CO -0.78 -0.12 0.18 -0.09 -0.57 0.00 0.00 179.45 178.07 2cpm h ARG 51 N -0.18 0.35 -0.85 3.15 2.43 0.62 0.04 114.38 119.94 2cpm h ARG 51 Ca 0.17 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 2cpm h ARG 51 Cb 0.44 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 2cpm h ARG 51 CO -0.44 0.23 0.43 0.52 -1.51 0.00 0.00 179.97 179.20 2cpm h MET 52 N 0.36 1.21 0.36 0.20 2.86 0.17 -0.70 114.93 119.40 2cpm h MET 52 Ca 0.19 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 2cpm h MET 52 Cb 0.15 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.59 2cpm h MET 52 CO -0.17 0.92 -0.17 0.93 1.06 0.00 0.00 176.91 179.47 2cpm h GLU 53 N 1.21 -0.47 -0.59 1.72 4.39 0.37 -1.44 114.58 119.77 2cpm h GLU 53 Ca 0.30 0.03 0.06 0.00 0.34 0.00 0.00 59.36 60.08 2cpm h GLU 53 Cb 0.09 0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.79 2cpm h GLU 53 CO -0.04 -0.19 0.31 -0.22 -1.16 0.00 0.00 179.01 177.70 2cpm h LYS 54 N -0.70 0.56 0.75 2.33 1.63 -0.92 -2.17 116.57 118.05 2cpm h LYS 54 Ca -0.05 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.69 2cpm h LYS 54 Cb 0.49 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.99 2cpm h LYS 54 CO 0.08 0.37 -0.49 0.93 -3.45 0.00 0.00 179.45 176.89 2cpm h GLU 55 N 0.58 -1.13 -0.47 1.90 4.39 -1.08 -2.48 114.58 116.28 2cpm h GLU 55 Ca 0.26 0.08 0.06 0.00 0.34 0.00 0.00 59.36 60.10 2cpm h GLU 55 Cb 0.18 0.26 -0.09 0.00 -0.10 0.00 0.00 28.75 29.00 2cpm h GLU 55 CO -0.18 -0.76 -0.53 0.28 -1.16 0.00 0.00 179.01 176.66 2cpm h VAL 56 N -1.18 0.02 -0.72 3.13 2.07 -1.09 -1.42 116.25 117.07 2cpm h VAL 56 Ca -0.10 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.53 2cpm h VAL 56 Cb 0.95 0.02 -0.12 0.00 -1.52 0.00 0.00 31.29 30.62 2cpm h VAL 56 CO 0.08 0.00 -0.43 -1.28 0.02 0.00 0.00 177.57 175.97 2cpm h SER 57 N -0.34 -1.50 -0.93 0.57 0.87 -1.34 0.46 113.55 111.33 2cpm h SER 57 Ca 0.10 0.27 0.22 0.00 -1.23 0.00 0.00 61.79 61.14 2cpm h SER 57 Cb 0.58 0.71 -0.12 0.00 -0.44 0.00 0.00 62.40 63.13 2cpm h SER 57 CO -0.63 -0.31 0.47 -0.78 -0.53 0.00 0.00 176.83 175.05 2cpm h ASP 58 N -0.15 0.48 -0.31 6.23 1.82 -0.80 0.67 116.42 124.36 2cpm h ASP 58 Ca 0.22 0.14 -0.10 0.00 -0.39 0.00 0.00 57.03 56.90 2cpm h ASP 58 Cb 0.55 0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.64 2cpm h ASP 58 CO -0.78 0.07 -0.19 0.15 -1.61 0.00 0.00 179.24 176.88 2cpm h PHE 59 N 0.50 0.80 -0.03 0.28 3.04 0.44 -2.32 116.94 119.65 2cpm h PHE 59 Ca 0.58 -0.21 0.03 0.00 3.98 0.00 0.00 57.97 62.35 2cpm h PHE 59 Cb 1.06 -0.18 -0.04 0.00 2.56 0.00 0.00 35.95 39.36 2cpm h PHE 59 CO -0.08 0.92 -0.18 0.82 -2.02 0.00 0.00 178.31 177.77 2cpm h ILE 60 N 0.44 0.56 -0.46 1.41 2.04 0.14 -2.59 117.51 119.05 2cpm h ILE 60 Ca 0.06 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.93 2cpm h ILE 60 Cb 0.73 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 2cpm h ILE 60 CO 0.05 0.00 0.30 1.56 0.00 0.00 0.00 178.15 180.06 2cpm h GLN 61 N -0.28 0.59 -5.91 2.37 4.20 -1.27 -3.40 115.11 111.41 2cpm h GLN 61 Ca 0.06 -0.04 -0.54 0.00 0.06 0.00 0.00 58.65 58.20 2cpm h GLN 61 Cb 0.37 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 2cpm h GLN 61 CO -0.19 0.39 1.50 -0.51 -0.67 0.00 0.00 178.83 179.35 2cpm s ASP 62 N -5.60 5.19 0.39 1.46 1.01 -0.87 -4.81 116.67 113.43 2cpm s ASP 62 Ca -0.13 1.47 0.21 0.00 0.71 0.00 0.00 52.55 54.81 2cpm s ASP 62 Cb 0.12 -2.51 0.51 0.00 1.01 0.00 0.00 42.92 42.05 2cpm s ASP 62 CO 0.73 -2.24 1.65 0.77 0.21 0.00 0.00 175.17 176.30 2cpm h SER 63 N 16.15 0.00 -0.42 0.27 4.64 -1.80 -3.21 113.55 129.18 2cpm h SER 63 Ca -0.34 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.92 2cpm h SER 63 Cb 1.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 2cpm h SER 63 CO 1.05 0.27 0.06 1.23 -0.87 0.00 0.00 176.83 178.56 2cpm h GLY 64 N 3.00 0.84 -6.63 -0.77 0.00 -1.92 -3.40 103.07 94.18 2cpm h GLY 64 Ca -0.00 -0.51 -0.61 0.00 0.00 0.00 0.00 47.33 46.20 2cpm h GLY 64 CO 0.03 0.48 0.11 1.20 0.00 0.00 0.00 176.54 178.36 2cpm s GLN 65 N -5.09 4.03 -0.08 4.80 -0.21 -1.21 -4.92 119.66 116.97 2cpm s GLN 65 Ca -0.09 0.40 0.17 0.00 0.02 0.00 0.00 55.36 55.86 2cpm s GLN 65 Cb 0.15 -3.68 -0.23 0.00 1.00 0.00 0.00 33.01 30.26 2cpm s GLN 65 CO 0.80 -0.45 0.44 0.44 -2.12 0.00 0.00 175.29 174.40 2cpm n ILE 66 N 5.25 1.25 -4.00 1.08 -5.35 -1.26 -4.93 119.36 111.40 2cpm n ILE 66 Ca -0.02 -0.77 -0.08 0.00 -0.27 0.00 0.00 62.75 61.61 2cpm n ILE 66 Cb 0.49 -0.62 -0.09 0.00 -1.74 0.00 0.00 39.64 37.68 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 -2.73 0.83 -0.12 6.28 -2.85 -1.26 -2.41 119.74 117.47 2cpm s LYS 67 Ca -0.07 -1.16 -0.12 0.00 -1.00 0.00 0.00 55.97 53.62 2cpm s LYS 67 Cb 0.08 0.29 0.03 0.00 -2.06 0.00 0.00 37.83 36.17 2cpm s LYS 67 CO 0.83 -0.24 0.35 0.21 0.10 0.00 0.00 175.35 176.60 2cpm s LYS 68 N -3.93 0.43 -0.11 1.78 2.20 -0.83 -5.01 119.74 114.28 2cpm s LYS 68 Ca 0.11 0.43 -0.03 0.00 -0.36 0.00 0.00 55.97 56.12 2cpm s LYS 68 Cb 0.06 0.21 -0.03 0.00 -1.51 0.00 0.00 37.83 36.55 2cpm s LYS 68 CO -0.07 -0.06 0.01 0.21 -0.36 0.00 0.00 175.35 175.08 2cpm s LYS 69 N 0.06 3.20 -0.22 4.03 2.20 -1.26 -1.72 119.74 126.04 2cpm s LYS 69 Ca -0.01 -0.40 -0.02 0.00 -0.36 0.00 0.00 55.97 55.18 2cpm s LYS 69 Cb -0.03 -2.87 0.01 0.00 -1.51 0.00 0.00 37.83 33.43 2cpm s LYS 69 CO 0.01 0.60 -0.08 -0.06 -0.36 0.00 0.00 175.35 175.46 2cpm s PHE 70 N -0.60 2.96 0.34 4.03 0.08 -0.83 -5.01 117.98 118.95 2cpm s PHE 70 Ca 0.10 -1.29 -0.29 0.00 0.12 0.00 0.00 56.93 55.58 2cpm s PHE 70 Cb -0.12 -2.05 -0.11 0.00 -0.57 0.00 0.00 43.02 40.17 2cpm s PHE 70 CO 0.02 -0.66 1.43 -0.65 -0.10 0.00 0.00 175.22 175.26 2cpm s GLN 71 N 1.39 4.21 -1.19 0.44 -0.21 -1.26 -2.63 119.66 120.40 2cpm s GLN 71 Ca 0.04 2.43 -0.23 0.00 0.02 0.00 0.00 55.36 57.62 2cpm s GLN 71 Cb -0.15 -3.02 -0.09 0.00 1.00 0.00 0.00 33.01 30.75 2cpm s GLN 71 CO -0.06 -0.42 1.93 -0.35 -2.12 0.00 0.00 175.29 174.28 2cpm n PRO 72 N 0.92 1.61 0.04 2.91 -0.04 -1.26 -4.70 135.00 134.48 2cpm n PRO 72 Ca 0.02 -2.48 -0.19 0.00 -0.04 0.00 0.00 63.50 60.81 2cpm n PRO 72 Cb 0.40 -3.73 -0.12 0.00 -0.04 0.00 0.00 33.50 30.01 2cpm n PRO 72 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 2cpm h MET 73 N 9.67 0.52 -5.08 0.54 2.86 -1.94 -3.48 114.93 118.02 2cpm h MET 73 Ca 0.22 -0.61 -0.58 0.00 -2.06 0.00 0.00 59.70 56.67 2cpm h MET 73 Cb 0.94 0.19 -0.13 0.00 0.06 0.00 0.00 31.60 32.65 2cpm h MET 73 CO 1.23 1.23 -0.52 1.21 1.06 0.00 0.00 176.91 181.12 2cpm s ASN 74 N -7.05 3.02 -0.09 1.22 3.04 -1.26 -5.07 114.94 108.75 2cpm s ASN 74 Ca -0.12 -1.65 0.14 0.00 0.04 0.00 0.00 52.86 51.27 2cpm s ASN 74 Cb 0.04 0.47 -0.24 0.00 -1.54 0.00 0.00 41.25 39.99 2cpm s ASN 74 CO 0.87 -0.90 0.49 1.17 -3.04 0.00 0.00 177.10 175.70 2cpm n LYS 75 N -0.96 0.65 -0.01 0.43 4.81 -1.26 -4.29 118.16 117.53 2cpm n LYS 75 Ca -0.08 0.21 0.02 0.00 -0.87 0.00 0.00 58.31 57.59 2cpm n LYS 75 Cb 0.65 -1.71 -0.12 0.00 0.02 0.00 0.00 35.03 33.87 2cpm n LYS 75 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 2cpm n ILE 76 N -2.95 0.79 -0.37 3.15 2.08 -1.26 -4.25 119.36 116.55 2cpm n ILE 76 Ca -0.21 -0.66 0.37 0.00 0.56 0.00 0.00 62.75 62.81 2cpm n ILE 76 Cb 1.08 -0.39 0.65 0.00 -0.75 0.00 0.00 39.64 40.23 2cpm n ILE 76 CO 0.00 0.00 0.00 1.05 0.56 0.00 0.00 176.55 178.16 2cpm h GLU 77 N 0.00 0.00 0.41 0.38 4.11 -1.98 0.30 114.58 117.80 2cpm h GLU 77 Ca -0.19 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.22 2cpm h GLU 77 Cb 1.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.75 2cpm h GLU 77 CO 0.02 0.00 -0.20 -0.09 0.07 0.00 0.00 179.01 178.82 2cpm h ARG 78 N 0.00 -0.53 -0.84 1.06 2.43 -1.82 -0.13 114.38 114.55 2cpm h ARG 78 Ca 0.62 0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.88 2cpm h ARG 78 Cb 2.93 0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 32.55 2cpm h ARG 78 CO -0.01 -0.24 0.52 1.03 -1.51 0.00 0.00 179.97 179.77 2cpm h SER 79 N -0.79 0.83 0.56 -3.80 0.87 -0.70 0.11 113.55 110.64 2cpm h SER 79 Ca -0.06 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.49 2cpm h SER 79 Cb 0.54 -0.17 0.01 0.00 -0.44 0.00 0.00 62.40 62.33 2cpm h SER 79 CO 0.09 0.55 -0.27 0.40 -0.53 0.00 0.00 176.83 177.07 2cpm h ILE 80 N 0.97 0.39 -0.77 2.23 2.04 -1.41 -2.37 117.51 118.60 2cpm h ILE 80 Ca 0.36 -0.24 0.07 0.00 1.00 0.00 0.00 64.86 66.04 2cpm h ILE 80 Cb 0.12 0.49 -0.06 0.00 -0.74 0.00 0.00 36.82 36.63 2cpm h ILE 80 CO -0.16 0.03 0.45 0.25 0.00 0.00 0.00 178.15 178.73 2cpm h LEU 81 N -0.91 0.67 -0.03 1.44 5.85 -0.82 -2.31 115.31 119.21 2cpm h LEU 81 Ca -0.08 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.71 2cpm h LEU 81 Cb 0.63 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 2cpm h LEU 81 CO 0.13 0.42 -0.28 0.45 -0.34 0.00 0.00 178.44 178.81 2cpm h HIS 82 N 0.80 -0.77 -0.71 1.25 3.86 -0.70 -0.46 115.15 118.41 2cpm h HIS 82 Ca 0.35 0.03 0.10 0.00 -1.16 0.00 0.00 60.37 59.68 2cpm h HIS 82 Cb 0.22 0.35 -0.07 0.00 1.06 0.00 0.00 27.41 28.97 2cpm h HIS 82 CO -0.06 -0.37 0.35 0.22 0.86 0.00 0.00 177.93 178.93 2cpm h ASP 83 N -0.41 0.45 -0.85 2.45 3.58 -1.03 -0.11 116.42 120.50 2cpm h ASP 83 Ca 0.07 0.06 0.01 0.00 0.42 0.00 0.00 57.03 57.59 2cpm h ASP 83 Cb 0.51 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.51 2cpm h ASP 83 CO -0.27 0.25 0.56 0.58 -2.88 0.00 0.00 179.24 177.48 2cpm h VAL 84 N 0.59 1.22 0.48 2.25 2.07 -0.82 -1.99 116.25 120.05 2cpm h VAL 84 Ca 0.35 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 2cpm h VAL 84 Cb 0.39 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 2cpm h VAL 84 CO -0.28 0.22 -0.23 0.58 0.02 0.00 0.00 177.57 177.88 2cpm h VAL 85 N 1.16 0.00 -1.20 2.57 2.07 0.28 -1.75 116.25 119.37 2cpm h VAL 85 Ca 0.31 -0.43 0.35 0.00 0.82 0.00 0.00 66.70 67.75 2cpm h VAL 85 Cb -0.12 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.55 2cpm h VAL 85 CO -0.07 0.00 0.79 1.05 0.02 0.00 0.00 177.57 179.36 2cpm h GLU 86 N -1.08 0.20 -0.08 1.57 4.11 -1.05 0.62 114.58 118.87 2cpm h GLU 86 Ca -0.07 -0.01 -0.23 0.00 0.07 0.00 0.00 59.36 59.12 2cpm h GLU 86 Cb 0.49 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.71 2cpm h GLU 86 CO 0.11 0.13 -0.88 0.28 0.07 0.00 0.00 179.01 178.72 2cpm h VAL 87 N 0.21 1.30 -0.11 -1.06 2.07 -1.35 -3.20 116.25 114.11 2cpm h VAL 87 Ca 0.69 -2.13 -0.08 0.00 0.82 0.00 0.00 66.70 66.00 2cpm h VAL 87 Cb 2.10 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 34.03 2cpm h VAL 87 CO -0.30 0.66 -0.30 0.00 0.02 0.00 0.00 177.57 177.64 2cpm h ALA 88 N 0.57 1.29 0.00 1.67 0.00 0.11 -3.47 119.26 119.43 2cpm h ALA 88 Ca -0.08 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2cpm h ALA 88 Cb 1.51 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2cpm h ALA 88 CO 0.17 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.32 2cpm n GLY 89 N -0.47 1.50 3.45 0.00 0.00 0.05 -5.09 105.19 104.62 2cpm n GLY 89 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 2.33 -0.14 0.99 1.43 -1.12 -4.74 118.68 117.42 2cpm s LEU 90 Ca 0.00 -1.31 -0.08 0.00 -1.03 0.00 0.00 54.13 51.72 2cpm s LEU 90 Cb 0.00 -0.49 -0.04 0.00 0.03 0.00 0.00 46.19 45.69 2cpm s LEU 90 CO 0.00 -0.51 0.12 -0.89 0.23 0.00 0.00 176.35 175.30 2cpm s THR 91 N -3.18 5.36 0.18 5.49 2.01 -0.74 -4.06 115.64 120.71 2cpm s THR 91 Ca 0.34 0.16 0.07 0.00 0.31 0.00 0.00 61.69 62.57 2cpm s THR 91 Cb 0.07 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 2cpm s THR 91 CO 0.14 0.56 -0.14 -0.55 -0.69 0.00 0.00 174.62 173.94 2cpm s SER 92 N -0.54 2.33 0.10 3.53 0.15 -1.26 0.25 113.70 118.26 2cpm s SER 92 Ca 0.12 -0.98 -0.25 0.00 0.70 0.00 0.00 55.95 55.54 2cpm s SER 92 Cb -0.12 -0.10 0.08 0.00 -1.71 0.00 0.00 66.02 64.17 2cpm s SER 92 CO 0.02 -0.19 0.73 -0.36 1.20 0.00 0.00 173.24 174.63 2cpm s PHE 93 N -2.89 -0.44 -0.21 3.44 0.08 0.39 -4.97 117.98 113.40 2cpm s PHE 93 Ca 0.19 0.25 -0.02 0.00 0.12 0.00 0.00 56.93 57.47 2cpm s PHE 93 Cb -0.01 0.56 0.00 0.00 -0.57 0.00 0.00 43.02 43.00 2cpm s PHE 93 CO 0.05 -0.74 -0.10 0.45 -0.10 0.00 0.00 175.22 174.77 2cpm s SER 94 N -2.65 3.84 -0.05 1.36 0.15 -1.26 0.36 113.70 115.44 2cpm s SER 94 Ca 0.03 -0.51 -0.01 0.00 0.70 0.00 0.00 55.95 56.17 2cpm s SER 94 Cb -0.01 -1.64 0.03 0.00 -1.71 0.00 0.00 66.02 62.69 2cpm s SER 94 CO -0.10 -0.02 0.00 -0.36 1.20 0.00 0.00 173.24 173.96 2cpm s PHE 95 N 1.40 0.52 0.04 3.44 0.08 -0.49 -4.97 117.98 118.00 2cpm s PHE 95 Ca 0.05 -0.08 0.01 0.00 0.12 0.00 0.00 56.93 57.03 2cpm s PHE 95 Cb -0.14 -0.65 -0.03 0.00 -0.57 0.00 0.00 43.02 41.64 2cpm s PHE 95 CO -0.07 -0.24 -0.05 0.20 -0.10 0.00 0.00 175.22 174.96 2cpm s GLY 96 N 1.62 0.44 0.13 4.36 0.00 -1.26 -2.98 107.32 109.63 2cpm s GLY 96 Ca -0.01 -0.88 -0.04 0.00 0.00 0.00 0.00 44.72 43.79 2cpm s GLY 96 CO -0.03 -0.96 1.29 -2.09 0.00 0.00 0.00 173.10 171.31 2cpm h GLU 97 N 4.05 0.37 -5.51 2.90 4.81 -1.98 -3.45 114.58 115.77 2cpm h GLU 97 Ca -0.34 -0.42 -0.57 0.00 -0.13 0.00 0.00 59.36 57.90 2cpm h GLU 97 Cb 1.19 0.13 -0.31 0.00 0.63 0.00 0.00 28.75 30.39 2cpm h GLU 97 CO 0.50 1.10 -0.84 -0.51 -0.73 0.00 0.00 179.01 178.53 2cpm s ASP 98 N -7.08 2.18 0.41 1.04 1.01 -1.22 -5.01 116.67 108.00 2cpm s ASP 98 Ca -0.05 -0.35 0.25 0.00 0.71 0.00 0.00 52.55 53.11 2cpm s ASP 98 Cb 0.09 -0.46 1.34 0.00 1.01 0.00 0.00 42.92 44.89 2cpm s ASP 98 CO 0.86 0.18 1.63 -0.78 0.21 0.00 0.00 175.17 177.28 2cpm h ASP 99 N 6.02 0.31 -0.40 0.27 3.58 -2.04 0.86 116.42 125.03 2cpm h ASP 99 Ca -0.34 0.16 -0.10 0.00 0.42 0.00 0.00 57.03 57.16 2cpm h ASP 99 Cb 1.16 0.14 -0.01 0.00 1.72 0.00 0.00 39.33 42.34 2cpm h ASP 99 CO 0.48 -0.19 -0.14 -0.78 -2.88 0.00 0.00 179.24 175.73 2cpm h ASP 100 N 0.14 0.81 -3.74 2.28 3.58 -1.98 -3.41 116.42 114.09 2cpm h ASP 100 Ca 0.79 -0.38 -0.66 0.00 0.42 0.00 0.00 57.03 57.20 2cpm h ASP 100 Cb 2.31 -0.22 -0.20 0.00 1.72 0.00 0.00 39.33 42.93 2cpm h ASP 100 CO -0.49 1.01 -0.54 0.00 -2.88 0.00 0.00 179.24 176.34 2cpm s ARG 102 N 1.68 0.12 0.54 0.00 3.52 -1.26 -3.43 118.95 120.12 2cpm s ARG 102 Ca 0.06 -0.02 -0.02 0.00 -0.13 0.00 0.00 55.73 55.61 2cpm s ARG 102 Cb -0.16 -1.54 0.01 0.00 -1.56 0.00 0.00 34.95 31.70 2cpm s ARG 102 CO 0.08 -0.70 0.80 1.52 -0.81 0.00 0.00 175.30 176.19 2cpm s TYR 103 N 2.21 3.15 -0.28 5.12 -0.85 -1.16 -4.64 117.35 120.90 2cpm s TYR 103 Ca 0.04 0.36 -0.01 0.00 -0.52 0.00 0.00 57.07 56.94 2cpm s TYR 103 Cb -0.16 -2.61 0.04 0.00 0.38 0.00 0.00 41.96 39.61 2cpm s TYR 103 CO -0.13 -0.70 -0.03 0.54 -1.52 0.00 0.00 175.55 173.71 2cpm s VAL 104 N -2.81 2.88 0.35 -3.49 0.11 -1.08 -1.40 120.40 114.96 2cpm s VAL 104 Ca 0.53 -1.26 0.04 0.00 -2.93 0.00 0.00 61.98 58.35 2cpm s VAL 104 Cb -0.10 -2.58 -0.02 0.00 -1.53 0.00 0.00 36.38 32.15 2cpm s VAL 104 CO 0.41 0.02 0.51 -0.04 -3.33 0.00 0.00 175.10 172.67 2cpm s MET 105 N 1.27 3.23 -0.05 1.54 -1.94 0.16 -1.98 119.30 121.52 2cpm s MET 105 Ca -0.03 -0.72 -0.04 0.00 -1.71 0.00 0.00 55.69 53.18 2cpm s MET 105 Cb -0.19 -2.74 0.02 0.00 2.01 0.00 0.00 34.83 33.93 2cpm s MET 105 CO -0.03 0.06 0.14 0.96 -0.01 0.00 0.00 175.02 176.14 2cpm s ILE 106 N -2.26 -0.01 0.35 2.53 -4.36 -0.70 -0.46 121.20 116.29 2cpm s ILE 106 Ca 0.43 0.04 0.08 0.00 -0.26 0.00 0.00 60.65 60.94 2cpm s ILE 106 Cb -0.10 -0.21 -0.07 0.00 1.25 0.00 0.00 42.46 43.34 2cpm s ILE 106 CO 0.33 0.02 -0.05 -0.36 0.24 0.00 0.00 174.94 175.12 2cpm s PHE 107 N 0.34 2.31 0.73 1.37 0.40 0.14 -1.95 117.98 121.32 2cpm s PHE 107 Ca -0.02 -0.61 -0.05 0.00 -0.60 0.00 0.00 56.93 55.65 2cpm s PHE 107 Cb -0.04 -1.42 0.10 0.00 0.51 0.00 0.00 43.02 42.18 2cpm s PHE 107 CO -0.01 0.45 1.02 0.15 0.70 0.00 0.00 175.22 177.53 2cpm s LYS 108 N -3.68 1.82 0.07 0.44 1.02 -1.01 -1.79 119.74 116.61 2cpm s LYS 108 Ca 0.33 -0.64 -0.23 0.00 0.02 0.00 0.00 55.97 55.45 2cpm s LYS 108 Cb 0.05 -2.22 -0.14 0.00 -0.52 0.00 0.00 37.83 35.00 2cpm s LYS 108 CO 0.16 -1.43 1.59 -0.22 -0.92 0.00 0.00 175.35 174.53 2cpm h LYS 109 N -0.65 0.11 0.18 1.68 3.64 -1.93 0.42 116.57 120.03 2cpm h LYS 109 Ca -0.41 -0.02 -0.31 0.00 -1.27 0.00 0.00 60.65 58.64 2cpm h LYS 109 Cb 1.28 -0.02 0.03 0.00 -0.41 0.00 0.00 32.23 33.11 2cpm h LYS 109 CO 0.49 0.25 -1.35 1.49 -2.27 0.00 0.00 179.45 178.06 2cpm h GLU 110 N -0.05 0.50 -0.71 1.90 4.57 -1.98 -3.22 114.58 115.59 2cpm h GLU 110 Ca 0.02 -0.78 0.00 0.00 -1.18 0.00 0.00 59.36 57.42 2cpm h GLU 110 Cb 0.18 0.28 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 2cpm h GLU 110 CO -0.00 1.37 0.00 1.19 -1.18 0.00 0.00 179.01 180.38 2cpm n PHE 111 N -3.70 0.89 -2.31 0.92 3.72 -1.21 -4.93 117.46 110.84 2cpm n PHE 111 Ca -0.14 -0.32 -0.38 0.00 -0.05 0.00 0.00 57.45 56.56 2cpm n PHE 111 Cb 1.05 -0.24 -0.02 0.00 -0.94 0.00 0.00 39.48 39.33 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 -1.78 3.12 0.59 4.37 0.00 0.15 -4.19 121.76 124.01 2cpm s ALA 112 Ca 0.26 0.94 -0.18 0.00 0.00 0.00 0.00 51.96 52.98 2cpm s ALA 112 Cb 0.18 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.90 2cpm s ALA 112 CO 0.09 -0.52 1.12 -1.25 0.00 0.00 0.00 175.76 175.20 2cpm s PRO 113 N -2.38 3.13 0.49 0.00 0.04 -1.26 -5.01 135.00 130.01 2cpm s PRO 113 Ca 0.58 1.52 0.00 0.00 0.04 0.00 0.00 61.00 63.14 2cpm s PRO 113 Cb -0.29 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.27 2cpm s PRO 113 CO 0.37 -1.01 0.72 -1.12 0.04 0.00 0.00 177.00 176.00 2cpm s SER 114 N -2.11 5.62 0.02 6.66 0.01 -1.26 -4.89 113.70 117.75 2cpm s SER 114 Ca 0.70 0.21 -0.10 0.00 1.31 0.00 0.00 55.95 58.07 2cpm s SER 114 Cb -0.22 -1.32 -0.05 0.00 0.21 0.00 0.00 66.02 64.64 2cpm s SER 114 CO 0.33 -0.88 1.15 0.44 0.41 0.00 0.00 173.24 174.69 2cpm h ASP 115 N 0.25 -0.37 -0.90 2.44 3.32 -1.99 0.55 116.42 119.73 2cpm h ASP 115 Ca -0.45 0.03 0.14 0.00 0.02 0.00 0.00 57.03 56.77 2cpm h ASP 115 Cb 1.27 0.12 -0.09 0.00 0.22 0.00 0.00 39.33 40.84 2cpm h ASP 115 CO 0.56 -0.19 0.51 1.05 -1.72 0.00 0.00 179.24 179.45 2cpm h GLU 116 N -0.29 0.71 -0.71 3.56 4.11 -2.00 -0.12 114.58 119.85 2cpm h GLU 116 Ca -0.02 -0.04 -0.05 0.00 0.07 0.00 0.00 59.36 59.32 2cpm h GLU 116 Cb 0.24 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 2cpm h GLU 116 CO -0.00 0.47 0.26 0.93 0.07 0.00 0.00 179.01 180.74 2cpm h GLU 117 N 0.74 1.06 -0.15 1.06 4.39 -1.91 -2.31 114.58 117.47 2cpm h GLU 117 Ca 0.48 -0.20 0.01 0.00 0.34 0.00 0.00 59.36 59.99 2cpm h GLU 117 Cb 0.62 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 2cpm h GLU 117 CO -0.33 0.88 0.08 -0.07 -1.16 0.00 0.00 179.01 178.41 2cpm h LEU 118 N 1.03 0.14 -0.68 1.33 3.38 0.20 0.37 115.31 121.08 2cpm h LEU 118 Ca 0.24 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.22 2cpm h LEU 118 Cb 0.23 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2cpm h LEU 118 CO -0.02 0.10 0.44 -0.78 0.09 0.00 0.00 178.44 178.28 2cpm h ASP 119 N 0.18 0.76 -0.37 -0.43 3.58 -1.24 -2.23 116.42 116.67 2cpm h ASP 119 Ca 0.06 -0.02 -0.14 0.00 0.42 0.00 0.00 57.03 57.35 2cpm h ASP 119 Cb -0.00 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.85 2cpm h ASP 119 CO -0.03 0.55 -0.30 0.77 -2.88 0.00 0.00 179.24 177.35 2cpm h SER 120 N 0.90 0.95 -0.62 2.28 4.64 -1.09 -2.41 113.55 118.20 2cpm h SER 120 Ca 0.25 -0.39 0.06 0.00 -0.47 0.00 0.00 61.79 61.24 2cpm h SER 120 Cb -0.09 -0.26 -0.06 0.00 -0.31 0.00 0.00 62.40 61.68 2cpm h SER 120 CO -0.06 1.17 0.32 1.88 -0.87 0.00 0.00 176.83 179.27 2cpm h TYR 121 N 0.76 0.58 -0.13 4.77 0.05 0.14 0.10 116.97 123.24 2cpm h TYR 121 Ca 0.08 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.86 2cpm h TYR 121 Cb 0.88 -0.17 -0.00 0.00 1.01 0.00 0.00 36.73 38.44 2cpm h TYR 121 CO 0.05 0.26 -0.04 0.00 -1.05 0.00 0.00 178.16 177.39 2cpm h ARG 122 N 0.59 0.25 -0.11 4.88 3.08 -1.35 -2.90 114.38 118.83 2cpm h ARG 122 Ca 0.28 -0.10 0.03 0.00 0.07 0.00 0.00 59.98 60.27 2cpm h ARG 122 Cb 0.21 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 2cpm h ARG 122 CO -0.20 0.55 0.08 0.00 -1.07 0.00 0.00 179.97 179.34 2cpm h ARG 123 N -0.06 0.00 0.00 0.04 2.47 -1.05 -3.48 114.38 112.30 2cpm h ARG 123 Ca 0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2cpm h ARG 123 Cb 0.46 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.78 2cpm h ARG 123 CO 0.01 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.95 2cpm n GLY 124 N -1.51 2.08 3.18 0.04 0.00 -0.01 -5.00 105.19 103.97 2cpm n GLY 124 Ca -0.00 -0.75 -0.13 0.00 0.00 0.00 0.00 46.02 45.14 2cpm n GLY 124 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cpm s SER 125 N -4.00 -0.23 0.12 1.61 1.04 -1.26 -4.63 113.70 106.35 2cpm s SER 125 Ca 0.00 0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.79 2cpm s SER 125 Cb 0.00 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.59 2cpm s SER 125 CO 0.00 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.61 2cpm n GLY 126 N 2.33 -1.77 0.00 7.32 0.00 -1.26 -4.94 105.19 106.86 2cpm n GLY 126 Ca -0.16 0.55 0.08 0.00 0.00 0.00 0.00 46.02 46.49 2cpm n GLY 126 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cpm n PRO 127 N -2.67 0.48 -3.41 1.61 -0.04 -1.26 -4.69 135.00 125.02 2cpm n PRO 127 Ca 0.00 0.01 -0.37 0.00 -0.04 0.00 0.00 63.50 63.09 2cpm n PRO 127 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 2cpm n PRO 127 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2cpm s SER 128 N -2.02 6.57 0.34 3.54 0.01 -1.26 -5.07 113.70 115.80 2cpm s SER 128 Ca 0.23 0.67 -0.26 0.00 1.31 0.00 0.00 55.95 57.90 2cpm s SER 128 Cb 0.11 -2.24 -0.10 0.00 0.21 0.00 0.00 66.02 64.00 2cpm s SER 128 CO 0.18 0.03 0.98 -0.44 0.41 0.00 0.00 173.24 174.40 2cpm s SER 129 N 0.59 7.20 0.00 2.44 0.01 -1.26 -5.13 113.70 117.55 2cpm s SER 129 Ca 0.22 1.91 0.00 0.00 1.31 0.00 0.00 55.95 59.38 2cpm s SER 129 Cb -0.14 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.50 2cpm s SER 129 CO 0.07 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.17