#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cpm n SER 38 N 0.00 -5.55 -4.60 1.61 7.64 -1.26 -4.96 113.62 106.50 2cpm n SER 38 Ca 0.00 -0.46 -0.42 0.00 1.01 0.00 0.00 58.87 59.00 2cpm n SER 38 Cb 0.00 -4.31 -0.05 0.00 -1.01 0.00 0.00 64.21 58.84 2cpm n SER 38 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cpm s SER 39 N -3.30 6.62 0.47 6.43 1.04 -1.26 -5.04 113.70 118.66 2cpm s SER 39 Ca 0.48 0.53 0.06 0.00 0.48 0.00 0.00 55.95 57.50 2cpm s SER 39 Cb -0.21 -2.41 0.08 0.00 0.10 0.00 0.00 66.02 63.58 2cpm s SER 39 CO 0.61 -0.70 0.63 0.61 0.98 0.00 0.00 173.24 175.37 2cpm n GLY 40 N 4.36 1.76 3.25 7.32 0.00 -1.26 -5.14 105.19 115.48 2cpm n GLY 40 Ca 0.04 -2.17 -0.15 0.00 0.00 0.00 0.00 46.02 43.74 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 -3.77 1.84 -0.07 1.61 1.04 -1.26 -5.11 113.70 107.98 2cpm s SER 41 Ca 0.47 -0.98 -0.30 0.00 0.48 0.00 0.00 55.95 55.62 2cpm s SER 41 Cb -0.04 -0.02 -0.05 0.00 0.10 0.00 0.00 66.02 66.01 2cpm s SER 41 CO 0.30 -0.30 1.61 -0.55 0.98 0.00 0.00 173.24 175.28 2cpm s SER 42 N -3.07 6.70 -0.08 7.02 0.15 -1.26 -4.14 113.70 119.02 2cpm s SER 42 Ca 0.16 2.17 -0.01 0.00 0.70 0.00 0.00 55.95 58.96 2cpm s SER 42 Cb 0.01 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 2cpm s SER 42 CO 0.01 -0.91 0.05 0.61 1.20 0.00 0.00 173.24 174.21 2cpm n GLY 43 N 4.07 -2.21 2.91 9.45 0.00 -1.26 -5.07 105.19 113.08 2cpm n GLY 43 Ca 0.17 0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.76 1.55 0.36 1.61 2.00 -1.26 -5.01 119.66 118.16 2cpm s GLN 44 Ca 0.02 -0.32 0.16 0.00 -2.00 0.00 0.00 55.36 53.22 2cpm s GLN 44 Cb -0.01 -1.70 1.08 0.00 0.80 0.00 0.00 33.01 33.19 2cpm s GLN 44 CO 0.17 -0.30 1.70 0.87 -0.50 0.00 0.00 175.29 177.24 2cpm h LYS 45 N 8.16 0.37 -0.69 1.67 1.79 -1.97 -2.11 116.57 123.80 2cpm h LYS 45 Ca -0.29 -0.02 0.06 0.00 -2.18 0.00 0.00 60.65 58.22 2cpm h LYS 45 Cb 1.13 -0.08 -0.08 0.00 -1.58 0.00 0.00 32.23 31.61 2cpm h LYS 45 CO 0.41 0.24 -0.40 0.28 -1.08 0.00 0.00 179.45 178.91 2cpm n VAL 46 N -4.84 -0.46 -0.37 0.50 0.31 -1.26 -0.03 118.33 112.17 2cpm n VAL 46 Ca 0.29 1.66 -0.10 0.00 -0.01 0.00 0.00 64.34 66.19 2cpm n VAL 46 Cb 0.95 -2.05 -0.08 0.00 -0.91 0.00 0.00 33.84 31.75 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 -4.86 -0.39 -0.06 5.55 1.02 -0.79 -0.15 120.64 120.96 2cpm n GLU 47 Ca 0.02 1.35 -0.08 0.00 -0.02 0.00 0.00 57.16 58.43 2cpm n GLU 47 Cb 0.18 -1.99 -0.01 0.00 -0.02 0.00 0.00 31.44 29.60 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 -0.53 -0.94 -0.32 3.57 -0.63 -2.14 116.94 115.95 2cpm h PHE 48 Ca 0.15 0.04 0.14 0.00 3.53 0.00 0.00 57.97 61.83 2cpm h PHE 48 Cb 0.37 0.28 -0.15 0.00 2.79 0.00 0.00 35.95 39.24 2cpm h PHE 48 CO -0.92 -0.28 -0.41 -0.09 -2.23 0.00 0.00 178.31 174.38 2cpm h ARG 49 N -0.19 -0.03 0.07 1.11 2.43 0.04 0.19 114.38 118.00 2cpm h ARG 49 Ca 0.15 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.33 2cpm h ARG 49 Cb 0.42 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 2cpm h ARG 49 CO -0.38 -0.02 -0.14 0.87 -1.51 0.00 0.00 179.97 178.79 2cpm h LYS 50 N -0.03 -0.26 -1.00 0.20 1.57 -0.82 -1.07 116.57 115.16 2cpm h LYS 50 Ca 0.31 0.02 0.18 0.00 -1.87 0.00 0.00 60.65 59.29 2cpm h LYS 50 Cb 0.57 0.06 -0.10 0.00 0.08 0.00 0.00 32.23 32.84 2cpm h LYS 50 CO -0.94 -0.17 0.61 -0.09 -0.57 0.00 0.00 179.45 178.29 2cpm h ARG 51 N -0.27 0.77 -0.36 3.15 2.43 -0.26 -0.39 114.38 119.45 2cpm h ARG 51 Ca 0.02 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.07 2cpm h ARG 51 Cb 0.29 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2cpm h ARG 51 CO -0.08 0.51 -0.07 0.52 -1.51 0.00 0.00 179.97 179.33 2cpm h MET 52 N 0.79 0.69 -0.89 0.20 2.86 -0.12 -2.40 114.93 116.06 2cpm h MET 52 Ca 0.57 -0.26 0.12 0.00 -2.06 0.00 0.00 59.70 58.07 2cpm h MET 52 Cb 0.86 -0.04 -0.08 0.00 0.06 0.00 0.00 31.60 32.39 2cpm h MET 52 CO -0.37 0.84 0.52 0.93 1.06 0.00 0.00 176.91 179.88 2cpm h GLU 53 N 0.49 0.79 -0.08 1.72 5.08 0.19 0.26 114.58 123.02 2cpm h GLU 53 Ca 0.09 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2cpm h GLU 53 Cb 0.58 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 2cpm h GLU 53 CO 0.03 0.52 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.32 2cpm h LYS 54 N 0.82 0.16 0.78 2.33 1.63 -1.28 -2.27 116.57 118.73 2cpm h LYS 54 Ca 0.45 -0.06 -0.04 0.00 -0.85 0.00 0.00 60.65 60.15 2cpm h LYS 54 Cb 0.48 -0.01 0.01 0.00 -0.60 0.00 0.00 32.23 32.11 2cpm h LYS 54 CO -0.28 0.49 -0.38 0.93 -3.45 0.00 0.00 179.45 176.77 2cpm h GLU 55 N -0.19 -1.01 -0.19 1.90 4.39 -0.87 -1.81 114.58 116.80 2cpm h GLU 55 Ca 0.02 0.07 0.03 0.00 0.34 0.00 0.00 59.36 59.82 2cpm h GLU 55 Cb 0.44 0.23 -0.07 0.00 -0.10 0.00 0.00 28.75 29.25 2cpm h GLU 55 CO 0.01 -0.67 -0.52 0.28 -1.16 0.00 0.00 179.01 176.95 2cpm h VAL 56 N -1.07 0.00 -0.33 3.13 2.07 -0.59 -1.60 116.25 117.85 2cpm h VAL 56 Ca -0.11 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.47 2cpm h VAL 56 Cb 0.81 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.50 2cpm h VAL 56 CO 0.18 0.00 -0.49 -1.28 0.02 0.00 0.00 177.57 176.00 2cpm h SER 57 N -0.52 -1.60 -0.91 0.57 0.87 -1.42 0.56 113.55 111.10 2cpm h SER 57 Ca 0.04 0.22 0.26 0.00 -1.23 0.00 0.00 61.79 61.08 2cpm h SER 57 Cb 0.63 0.67 -0.15 0.00 -0.44 0.00 0.00 62.40 63.11 2cpm h SER 57 CO -0.45 -0.41 0.26 -0.78 -0.53 0.00 0.00 176.83 174.92 2cpm h ASP 58 N -0.41 0.01 -0.35 6.23 3.58 -0.84 0.31 116.42 124.94 2cpm h ASP 58 Ca 0.09 0.21 -0.05 0.00 0.42 0.00 0.00 57.03 57.71 2cpm h ASP 58 Cb 0.61 0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.93 2cpm h ASP 58 CO -0.54 -0.20 0.04 0.15 -2.88 0.00 0.00 179.24 175.81 2cpm h PHE 59 N 0.18 0.64 0.34 0.28 3.04 0.01 -1.66 116.94 119.77 2cpm h PHE 59 Ca 0.60 -0.10 -0.00 0.00 3.98 0.00 0.00 57.97 62.45 2cpm h PHE 59 Cb 1.26 -0.17 -0.03 0.00 2.56 0.00 0.00 35.95 39.56 2cpm h PHE 59 CO -0.25 0.67 -0.49 0.82 -2.02 0.00 0.00 178.31 177.04 2cpm h ILE 60 N 0.43 0.05 -0.75 1.41 2.04 0.12 -2.52 117.51 118.28 2cpm h ILE 60 Ca 0.10 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.03 2cpm h ILE 60 Cb 0.39 0.05 -0.06 0.00 -0.74 0.00 0.00 36.82 36.46 2cpm h ILE 60 CO 0.01 0.00 0.44 1.56 0.00 0.00 0.00 178.15 180.16 2cpm h GLN 61 N -0.88 0.78 -5.99 2.37 4.20 -1.32 -3.40 115.11 110.87 2cpm h GLN 61 Ca -0.03 -0.05 -0.60 0.00 0.06 0.00 0.00 58.65 58.03 2cpm h GLN 61 Cb 0.81 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.41 2cpm h GLN 61 CO -0.15 0.51 1.48 -0.25 -0.67 0.00 0.00 178.83 179.75 2cpm n ASP 62 N -4.72 3.08 0.20 1.46 8.00 -0.63 -4.86 116.55 119.08 2cpm n ASP 62 Ca 0.10 0.25 -0.15 0.00 0.71 0.00 0.00 54.79 55.70 2cpm n ASP 62 Cb 0.18 -1.51 -0.08 0.00 -0.02 0.00 0.00 41.12 39.69 2cpm n ASP 62 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 2cpm h SER 63 N 14.56 -0.42 -1.02 -2.24 0.87 -1.81 -2.98 113.55 120.50 2cpm h SER 63 Ca -0.39 -0.09 0.31 0.00 -1.23 0.00 0.00 61.79 60.40 2cpm h SER 63 Cb 1.25 0.11 -0.14 0.00 -0.44 0.00 0.00 62.40 63.18 2cpm h SER 63 CO 0.97 -0.16 0.59 1.23 -0.53 0.00 0.00 176.83 178.93 2cpm h GLY 64 N -0.68 1.96 -5.04 5.77 0.00 -1.93 -3.38 103.07 99.78 2cpm h GLY 64 Ca -0.05 -0.25 -0.56 0.00 0.00 0.00 0.00 47.33 46.48 2cpm h GLY 64 CO 0.08 -0.42 0.88 1.20 0.00 0.00 0.00 176.54 178.28 2cpm s GLN 65 N -5.66 4.26 -0.04 4.80 -1.52 -1.13 -4.86 119.66 115.51 2cpm s GLN 65 Ca -0.10 1.80 0.05 0.00 -1.95 0.00 0.00 55.36 55.16 2cpm s GLN 65 Cb 0.29 -3.72 -0.07 0.00 -0.22 0.00 0.00 33.01 29.29 2cpm s GLN 65 CO 0.79 -0.65 0.05 0.44 -0.25 0.00 0.00 175.29 175.67 2cpm n ILE 66 N 5.11 0.23 -3.66 1.08 -5.35 -1.26 -4.89 119.36 110.62 2cpm n ILE 66 Ca 0.14 -0.18 -0.15 0.00 -0.27 0.00 0.00 62.75 62.28 2cpm n ILE 66 Cb 0.45 -0.44 -0.08 0.00 -1.74 0.00 0.00 39.64 37.83 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 -2.21 0.81 0.01 6.28 -2.85 -1.26 -2.22 119.74 118.29 2cpm s LYS 67 Ca -0.02 0.10 0.00 0.00 -1.00 0.00 0.00 55.97 55.05 2cpm s LYS 67 Cb 0.02 0.37 -0.01 0.00 -2.06 0.00 0.00 37.83 36.16 2cpm s LYS 67 CO 0.22 -0.22 -0.02 0.21 0.10 0.00 0.00 175.35 175.63 2cpm s LYS 68 N -1.05 0.17 -0.15 1.78 2.20 -0.78 -5.02 119.74 116.89 2cpm s LYS 68 Ca -0.11 -0.26 0.01 0.00 -0.36 0.00 0.00 55.97 55.25 2cpm s LYS 68 Cb -0.03 -0.02 0.02 0.00 -1.51 0.00 0.00 37.83 36.29 2cpm s LYS 68 CO 0.06 -0.00 -0.16 0.21 -0.36 0.00 0.00 175.35 175.10 2cpm s LYS 69 N -0.59 2.47 0.58 4.03 2.20 -1.26 -0.56 119.74 126.61 2cpm s LYS 69 Ca -0.06 -0.63 -0.01 0.00 -0.36 0.00 0.00 55.97 54.91 2cpm s LYS 69 Cb -0.04 -2.19 0.04 0.00 -1.51 0.00 0.00 37.83 34.13 2cpm s LYS 69 CO -0.00 -0.19 0.83 -0.06 -0.36 0.00 0.00 175.35 175.56 2cpm s PHE 70 N 1.32 2.92 -0.10 4.03 0.40 -0.37 -5.01 117.98 121.17 2cpm s PHE 70 Ca 0.02 0.14 -0.04 0.00 -0.60 0.00 0.00 56.93 56.46 2cpm s PHE 70 Cb -0.13 -2.81 -0.04 0.00 0.51 0.00 0.00 43.02 40.55 2cpm s PHE 70 CO -0.09 -0.95 0.04 -0.65 0.70 0.00 0.00 175.22 174.27 2cpm s GLN 71 N -4.86 3.19 -1.11 0.44 -1.52 -1.26 -3.94 119.66 110.59 2cpm s GLN 71 Ca 0.57 -0.34 -0.23 0.00 -1.95 0.00 0.00 55.36 53.40 2cpm s GLN 71 Cb -0.10 -2.92 -0.08 0.00 -0.22 0.00 0.00 33.01 29.69 2cpm s GLN 71 CO 0.40 0.67 1.94 -1.25 -0.25 0.00 0.00 175.29 176.79 2cpm s PRO 72 N -0.76 2.51 -0.02 2.91 0.04 -1.26 -4.72 135.00 133.69 2cpm s PRO 72 Ca 0.12 -0.95 -0.21 0.00 0.04 0.00 0.00 61.00 60.00 2cpm s PRO 72 Cb -0.12 -5.20 -0.26 0.00 0.04 0.00 0.00 34.50 28.97 2cpm s PRO 72 CO 0.02 -3.83 1.02 0.52 0.04 0.00 0.00 177.00 174.78 2cpm h MET 73 N 10.11 0.32 -5.03 4.56 2.86 -1.95 -3.48 114.93 122.32 2cpm h MET 73 Ca 0.19 -0.39 -0.55 0.00 -2.06 0.00 0.00 59.70 56.88 2cpm h MET 73 Cb 0.95 0.12 -0.13 0.00 0.06 0.00 0.00 31.60 32.61 2cpm h MET 73 CO 1.22 1.10 -0.52 -0.80 1.06 0.00 0.00 176.91 178.98 2cpm s ASN 74 N -6.71 2.68 -0.04 1.22 -0.87 -1.26 -5.06 114.94 104.91 2cpm s ASN 74 Ca -0.14 -1.67 0.14 0.00 -1.57 0.00 0.00 52.86 49.62 2cpm s ASN 74 Cb 0.02 0.50 -0.22 0.00 -0.02 0.00 0.00 41.25 41.53 2cpm s ASN 74 CO 0.80 -0.93 0.64 0.29 -2.57 0.00 0.00 177.10 175.33 2cpm n LYS 75 N -0.88 0.63 -0.00 -0.60 4.76 -1.26 -4.36 118.16 116.45 2cpm n LYS 75 Ca -0.05 0.25 -0.21 0.00 -2.87 0.00 0.00 58.31 55.43 2cpm n LYS 75 Cb 0.65 -1.77 -0.14 0.00 -1.84 0.00 0.00 35.03 31.93 2cpm n LYS 75 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 2cpm h ILE 76 N 0.00 0.95 -1.79 -0.18 1.08 -2.02 -3.35 117.51 112.19 2cpm h ILE 76 Ca -0.28 -2.37 0.54 0.00 -0.39 0.00 0.00 64.86 62.37 2cpm h ILE 76 Cb 1.95 2.62 -0.10 0.00 -3.07 0.00 0.00 36.82 38.22 2cpm h ILE 76 CO 0.07 0.70 1.25 -0.62 -0.69 0.00 0.00 178.15 178.86 2cpm n GLU 77 N -3.90 -0.01 0.30 2.37 -0.58 -1.26 -0.35 120.64 117.21 2cpm n GLU 77 Ca -0.27 1.14 -0.17 0.00 -0.42 0.00 0.00 57.16 57.44 2cpm n GLU 77 Cb 0.90 -2.49 -0.09 0.00 -0.57 0.00 0.00 31.44 29.19 2cpm n GLU 77 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 2cpm h ARG 78 N 0.00 -0.91 -0.78 3.49 9.65 -1.77 0.15 114.38 124.21 2cpm h ARG 78 Ca 0.92 0.06 0.06 0.00 -1.10 0.00 0.00 59.98 59.93 2cpm h ARG 78 Cb 3.49 0.21 -0.06 0.00 -1.39 0.00 0.00 29.97 32.21 2cpm h ARG 78 CO -0.16 -0.61 0.47 1.03 2.80 0.00 0.00 179.97 183.50 2cpm h SER 79 N -0.95 0.72 0.77 -3.80 0.87 -0.92 -1.47 113.55 108.77 2cpm h SER 79 Ca -0.07 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.48 2cpm h SER 79 Cb 0.80 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.63 2cpm h SER 79 CO -0.02 0.46 -0.50 0.40 -0.53 0.00 0.00 176.83 176.64 2cpm h ILE 80 N 0.85 0.00 -0.82 2.23 2.04 -1.20 -1.91 117.51 118.71 2cpm h ILE 80 Ca 0.34 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.36 2cpm h ILE 80 Cb 0.18 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.17 2cpm h ILE 80 CO -0.18 0.00 0.38 0.25 0.00 0.00 0.00 178.15 178.60 2cpm h LEU 81 N -1.20 0.41 -0.77 1.44 5.85 -0.52 0.02 115.31 120.54 2cpm h LEU 81 Ca -0.10 0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.81 2cpm h LEU 81 Cb 0.97 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.99 2cpm h LEU 81 CO 0.09 0.15 0.43 0.45 -0.34 0.00 0.00 178.44 179.22 2cpm h HIS 82 N 0.53 0.79 -0.41 1.25 3.86 -0.99 -0.33 115.15 119.85 2cpm h HIS 82 Ca 0.46 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.68 2cpm h HIS 82 Cb 0.69 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.90 2cpm h HIS 82 CO -0.13 0.34 0.21 0.22 0.86 0.00 0.00 177.93 179.43 2cpm h ASP 83 N 0.75 0.52 -0.42 2.45 3.58 -0.20 -0.10 116.42 123.01 2cpm h ASP 83 Ca 0.36 -0.11 -0.04 0.00 0.42 0.00 0.00 57.03 57.67 2cpm h ASP 83 Cb 0.30 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 2cpm h ASP 83 CO -0.23 0.48 0.13 0.58 -2.88 0.00 0.00 179.24 177.32 2cpm h VAL 84 N 0.52 1.20 0.32 2.25 2.07 -0.78 -1.97 116.25 119.87 2cpm h VAL 84 Ca 0.14 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 2cpm h VAL 84 Cb 0.09 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2cpm h VAL 84 CO -0.02 0.26 -0.16 0.58 0.02 0.00 0.00 177.57 178.26 2cpm h VAL 85 N 0.70 0.47 -0.90 2.57 2.07 -0.71 -2.04 116.25 118.41 2cpm h VAL 85 Ca 0.16 -0.76 0.21 0.00 0.82 0.00 0.00 66.70 67.13 2cpm h VAL 85 Cb 0.24 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 2cpm h VAL 85 CO -0.01 0.11 0.60 1.05 0.02 0.00 0.00 177.57 179.34 2cpm h GLU 86 N -0.96 0.36 -0.19 1.57 -0.00 -0.99 0.12 114.58 114.49 2cpm h GLU 86 Ca -0.04 -0.02 -0.13 0.00 -0.00 0.00 0.00 59.36 59.16 2cpm h GLU 86 Cb 0.51 -0.08 0.00 0.00 -0.00 0.00 0.00 28.75 29.18 2cpm h GLU 86 CO 0.07 0.24 -0.39 0.28 -0.00 0.00 0.00 179.01 179.21 2cpm h VAL 87 N 0.37 1.33 -0.30 -1.06 2.07 -1.35 -3.15 116.25 114.16 2cpm h VAL 87 Ca 0.47 -1.62 -0.03 0.00 0.82 0.00 0.00 66.70 66.33 2cpm h VAL 87 Cb 1.22 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.86 2cpm h VAL 87 CO -0.17 0.50 0.04 0.00 0.02 0.00 0.00 177.57 177.96 2cpm h ALA 88 N 0.59 1.51 0.00 1.67 0.00 -0.27 -3.46 119.26 119.30 2cpm h ALA 88 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2cpm h ALA 88 Cb 0.99 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2cpm h ALA 88 CO 0.09 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.10 2cpm n GLY 89 N -1.05 1.25 3.39 0.00 0.00 -0.41 -5.10 105.19 103.26 2cpm n GLY 89 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 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 2.46 0.23 0.99 1.43 -1.07 -4.79 118.68 117.93 2cpm s LEU 90 Ca 0.00 -1.16 -0.18 0.00 -1.03 0.00 0.00 54.13 51.77 2cpm s LEU 90 Cb 0.00 -0.59 -0.08 0.00 0.03 0.00 0.00 46.19 45.55 2cpm s LEU 90 CO 0.00 -0.33 0.70 -0.89 0.23 0.00 0.00 176.35 176.06 2cpm s THR 91 N -3.07 4.64 0.00 5.49 2.01 -0.73 -4.14 115.64 119.84 2cpm s THR 91 Ca 0.28 1.14 0.00 0.00 0.31 0.00 0.00 61.69 63.42 2cpm s THR 91 Cb 0.03 -3.79 -0.00 0.00 0.01 0.00 0.00 72.50 68.75 2cpm s THR 91 CO 0.10 0.13 -0.02 -0.94 -0.69 0.00 0.00 174.62 173.21 2cpm s SER 92 N -1.79 0.18 0.03 3.53 1.04 -1.26 -1.63 113.70 113.80 2cpm s SER 92 Ca 0.44 -0.09 -0.16 0.00 0.48 0.00 0.00 55.95 56.62 2cpm s SER 92 Cb -0.15 -0.00 0.03 0.00 0.10 0.00 0.00 66.02 65.99 2cpm s SER 92 CO 0.20 -0.02 0.36 -0.36 0.98 0.00 0.00 173.24 174.39 2cpm s PHE 93 N -0.23 -0.20 -0.32 5.02 0.08 -0.76 -5.00 117.98 116.59 2cpm s PHE 93 Ca -0.02 0.15 -0.05 0.00 0.12 0.00 0.00 56.93 57.14 2cpm s PHE 93 Cb -0.02 0.15 0.04 0.00 -0.57 0.00 0.00 43.02 42.62 2cpm s PHE 93 CO -0.00 -0.51 0.05 -1.54 -0.10 0.00 0.00 175.22 173.12 2cpm s SER 94 N -1.88 5.08 -0.11 1.36 1.04 -1.26 -0.44 113.70 117.49 2cpm s SER 94 Ca -0.07 -1.13 0.01 0.00 0.48 0.00 0.00 55.95 55.24 2cpm s SER 94 Cb -0.02 -1.80 0.02 0.00 0.10 0.00 0.00 66.02 64.32 2cpm s SER 94 CO -0.01 -0.28 -0.12 -0.36 0.98 0.00 0.00 173.24 173.45 2cpm s PHE 95 N 1.35 1.77 0.17 5.02 0.08 -0.72 -4.94 117.98 120.71 2cpm s PHE 95 Ca -0.02 -0.85 -0.00 0.00 0.12 0.00 0.00 56.93 56.18 2cpm s PHE 95 Cb -0.19 -1.33 -0.04 0.00 -0.57 0.00 0.00 43.02 40.89 2cpm s PHE 95 CO 0.01 -0.48 0.06 0.20 -0.10 0.00 0.00 175.22 174.91 2cpm s GLY 96 N 1.21 1.20 0.02 4.36 0.00 -1.26 -3.04 107.32 109.81 2cpm s GLY 96 Ca -0.03 -1.58 -0.09 0.00 0.00 0.00 0.00 44.72 43.01 2cpm s GLY 96 CO -0.04 -1.43 0.92 0.83 0.00 0.00 0.00 173.10 173.38 2cpm h GLU 97 N 2.73 0.39 -5.42 2.90 3.07 -1.93 -3.47 114.58 112.85 2cpm h GLU 97 Ca -0.36 -0.66 -0.42 0.00 -0.50 0.00 0.00 59.36 57.42 2cpm h GLU 97 Cb 1.21 0.25 -0.19 0.00 -0.84 0.00 0.00 28.75 29.18 2cpm h GLU 97 CO 0.59 1.29 -0.76 -0.51 -1.40 0.00 0.00 179.01 178.22 2cpm s ASP 98 N -7.29 1.95 0.22 1.42 1.01 -1.16 -5.02 116.67 107.80 2cpm s ASP 98 Ca -0.09 -0.78 -0.14 0.00 0.71 0.00 0.00 52.55 52.25 2cpm s ASP 98 Cb 0.06 -0.07 0.26 0.00 1.01 0.00 0.00 42.92 44.18 2cpm s ASP 98 CO 0.89 -0.13 1.61 0.44 0.21 0.00 0.00 175.17 178.19 2cpm h ASP 99 N 3.64 -0.70 -0.54 0.27 3.32 -2.04 0.52 116.42 120.90 2cpm h ASP 99 Ca -0.40 0.21 -0.06 0.00 0.02 0.00 0.00 57.03 56.80 2cpm h ASP 99 Cb 1.19 0.44 -0.02 0.00 0.22 0.00 0.00 39.33 41.17 2cpm h ASP 99 CO 0.49 -0.24 0.10 -2.24 -1.72 0.00 0.00 179.24 175.63 2cpm h ASP 100 N -0.02 0.85 -3.16 6.45 2.03 -2.01 -3.39 116.42 117.18 2cpm h ASP 100 Ca 0.32 -0.25 -0.65 0.00 -0.73 0.00 0.00 57.03 55.72 2cpm h ASP 100 Cb 0.51 -0.22 -0.15 0.00 -0.83 0.00 0.00 39.33 38.63 2cpm h ASP 100 CO -0.71 0.88 0.31 0.00 -1.03 0.00 0.00 179.24 178.70 2cpm s ARG 102 N 3.31 0.24 0.34 0.00 0.52 -1.25 -3.00 118.95 119.10 2cpm s ARG 102 Ca 0.22 0.09 0.07 0.00 -0.52 0.00 0.00 55.73 55.58 2cpm s ARG 102 Cb -0.16 -1.17 -0.01 0.00 0.52 0.00 0.00 34.95 34.12 2cpm s ARG 102 CO 0.14 -0.45 0.42 1.52 0.02 0.00 0.00 175.30 176.96 2cpm s TYR 103 N 2.07 3.05 -0.00 -0.53 -0.85 -1.17 -4.59 117.35 115.32 2cpm s TYR 103 Ca 0.03 -0.25 0.02 0.00 -0.52 0.00 0.00 57.07 56.36 2cpm s TYR 103 Cb -0.14 -1.95 -0.03 0.00 0.38 0.00 0.00 41.96 40.22 2cpm s TYR 103 CO -0.06 0.04 -0.03 0.54 -1.52 0.00 0.00 175.55 174.52 2cpm s VAL 104 N -2.22 3.93 0.21 -3.49 0.11 -1.25 -1.75 120.40 115.94 2cpm s VAL 104 Ca 0.44 -0.66 0.04 0.00 -2.93 0.00 0.00 61.98 58.87 2cpm s VAL 104 Cb -0.08 -2.73 -0.05 0.00 -1.53 0.00 0.00 36.38 31.99 2cpm s VAL 104 CO 0.30 0.40 -0.04 -0.04 -3.33 0.00 0.00 175.10 172.39 2cpm s MET 105 N -1.46 1.27 -0.01 1.54 -1.94 0.42 -1.24 119.30 117.90 2cpm s MET 105 Ca 0.18 -1.62 -0.04 0.00 -1.71 0.00 0.00 55.69 52.50 2cpm s MET 105 Cb -0.11 -0.67 -0.00 0.00 2.01 0.00 0.00 34.83 36.05 2cpm s MET 105 CO 0.09 -0.03 0.08 0.96 -0.01 0.00 0.00 175.02 176.11 2cpm s ILE 106 N -3.35 0.07 0.17 2.53 -4.36 0.28 -1.82 121.20 114.72 2cpm s ILE 106 Ca 0.25 -0.54 0.02 0.00 -0.26 0.00 0.00 60.65 60.11 2cpm s ILE 106 Cb 0.04 -0.30 -0.05 0.00 1.25 0.00 0.00 42.46 43.40 2cpm s ILE 106 CO 0.07 -0.30 0.01 -0.36 0.24 0.00 0.00 174.94 174.60 2cpm s PHE 107 N -0.97 1.20 0.71 1.37 0.40 -0.65 -1.87 117.98 118.16 2cpm s PHE 107 Ca -0.11 -1.05 -0.04 0.00 -0.60 0.00 0.00 56.93 55.14 2cpm s PHE 107 Cb -0.06 -0.68 0.10 0.00 0.51 0.00 0.00 43.02 42.88 2cpm s PHE 107 CO 0.00 -0.24 0.99 0.15 0.70 0.00 0.00 175.22 176.82 2cpm s LYS 108 N -3.93 1.86 0.04 0.44 1.02 -0.94 -1.78 119.74 116.44 2cpm s LYS 108 Ca 0.25 -0.76 -0.30 0.00 0.02 0.00 0.00 55.97 55.18 2cpm s LYS 108 Cb 0.06 -2.27 -0.17 0.00 -0.52 0.00 0.00 37.83 34.93 2cpm s LYS 108 CO 0.04 -1.36 1.35 -0.22 -0.92 0.00 0.00 175.35 174.25 2cpm h LYS 109 N -0.55 -0.89 -0.23 1.68 1.63 -1.91 0.15 116.57 116.45 2cpm h LYS 109 Ca -0.40 0.06 -0.19 0.00 -0.85 0.00 0.00 60.65 59.26 2cpm h LYS 109 Cb 1.28 0.20 0.00 0.00 -0.60 0.00 0.00 32.23 33.12 2cpm h LYS 109 CO 0.47 -0.56 -0.61 0.93 -3.45 0.00 0.00 179.45 176.24 2cpm h GLU 110 N -1.09 0.82 -0.75 1.90 4.39 -1.98 -2.95 114.58 114.91 2cpm h GLU 110 Ca -0.09 -0.57 0.00 0.00 0.34 0.00 0.00 59.36 59.04 2cpm h GLU 110 Cb 0.74 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 2cpm h GLU 110 CO 0.15 1.19 0.00 1.19 -1.16 0.00 0.00 179.01 180.39 2cpm n PHE 111 N -4.02 0.46 -2.26 4.33 3.01 -1.23 -4.91 117.46 112.85 2cpm n PHE 111 Ca -0.06 -0.17 -0.38 0.00 1.01 0.00 0.00 57.45 57.85 2cpm n PHE 111 Cb 0.66 -0.16 -0.02 0.00 -0.01 0.00 0.00 39.48 39.95 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 -1.50 3.18 0.77 4.37 0.00 0.52 -4.24 121.76 124.86 2cpm s ALA 112 Ca 0.13 1.01 -0.11 0.00 0.00 0.00 0.00 51.96 53.00 2cpm s ALA 112 Cb 0.10 -3.40 0.06 0.00 0.00 0.00 0.00 23.12 19.87 2cpm s ALA 112 CO 0.05 -0.57 1.09 -1.25 0.00 0.00 0.00 175.76 175.08 2cpm s PRO 113 N -2.26 2.27 0.43 0.00 0.04 -1.26 -5.02 135.00 129.20 2cpm s PRO 113 Ca 0.57 1.17 0.03 0.00 0.04 0.00 0.00 61.00 62.81 2cpm s PRO 113 Cb -0.32 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.33 2cpm s PRO 113 CO 0.40 -1.64 0.62 -1.12 0.04 0.00 0.00 177.00 175.31 2cpm s SER 114 N -3.38 5.74 0.04 6.66 0.01 -1.26 -4.91 113.70 116.59 2cpm s SER 114 Ca 0.61 0.01 -0.18 0.00 1.31 0.00 0.00 55.95 57.71 2cpm s SER 114 Cb -0.17 -1.22 -0.09 0.00 0.21 0.00 0.00 66.02 64.75 2cpm s SER 114 CO 0.56 -0.72 1.27 -0.78 0.41 0.00 0.00 173.24 173.98 2cpm h ASP 115 N 0.50 -0.65 -0.41 2.44 1.82 -1.99 0.38 116.42 118.52 2cpm h ASP 115 Ca -0.45 0.04 0.08 0.00 -0.39 0.00 0.00 57.03 56.32 2cpm h ASP 115 Cb 1.27 0.20 -0.07 0.00 0.68 0.00 0.00 39.33 41.40 2cpm h ASP 115 CO 0.54 -0.35 -0.04 -0.33 -1.61 0.00 0.00 179.24 177.44 2cpm h GLU 116 N -0.55 0.06 -0.59 0.28 4.39 -2.00 -1.52 114.58 114.64 2cpm h GLU 116 Ca -0.04 -0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.71 2cpm h GLU 116 Cb 0.46 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.04 2cpm h GLU 116 CO 0.01 0.04 0.30 0.93 -1.16 0.00 0.00 179.01 179.14 2cpm h GLU 117 N 0.06 0.55 -0.43 2.33 4.39 -1.94 -1.40 114.58 118.15 2cpm h GLU 117 Ca 0.20 -0.03 0.08 0.00 0.34 0.00 0.00 59.36 59.95 2cpm h GLU 117 Cb 0.30 -0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 28.75 2cpm h GLU 117 CO -0.37 0.36 -0.03 -0.07 -1.16 0.00 0.00 179.01 177.74 2cpm h LEU 118 N 0.57 -0.24 -0.92 1.33 3.38 0.79 0.77 115.31 120.98 2cpm h LEU 118 Ca 0.27 0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.30 2cpm h LEU 118 Cb 0.20 0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 2cpm h LEU 118 CO -0.19 -0.08 0.22 -0.78 0.09 0.00 0.00 178.44 177.71 2cpm h ASP 119 N 0.08 0.94 1.02 -0.43 1.82 -0.92 -1.75 116.42 117.18 2cpm h ASP 119 Ca 0.21 -0.16 -0.08 0.00 -0.39 0.00 0.00 57.03 56.61 2cpm h ASP 119 Cb 0.31 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 40.07 2cpm h ASP 119 CO -0.38 0.87 -0.39 0.28 -1.61 0.00 0.00 179.24 178.01 2cpm h SER 120 N 0.98 0.00 -0.04 2.28 0.02 -0.11 -1.99 113.55 114.69 2cpm h SER 120 Ca 0.22 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.12 2cpm h SER 120 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2cpm h SER 120 CO -0.01 0.39 -0.19 1.88 -1.14 0.00 0.00 176.83 177.76 2cpm h TYR 121 N 0.00 0.26 -0.11 3.45 0.05 0.11 -3.19 116.97 117.54 2cpm h TYR 121 Ca -0.00 -0.11 -0.13 0.00 0.05 0.00 0.00 58.73 58.53 2cpm h TYR 121 Cb 1.01 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.70 2cpm h TYR 121 CO 0.00 0.83 -0.49 0.07 -1.05 0.00 0.00 178.16 177.51 2cpm h ARG 122 N -0.38 0.30 0.00 4.88 -0.00 -1.37 -2.50 114.38 115.31 2cpm h ARG 122 Ca -0.01 -0.17 0.00 0.00 -0.00 0.00 0.00 59.98 59.80 2cpm h ARG 122 Cb 0.85 0.01 0.00 0.00 -0.00 0.00 0.00 29.97 30.83 2cpm h ARG 122 CO 0.04 0.73 0.00 2.89 -0.00 0.00 0.00 179.97 183.63 2cpm n ARG 123 N -3.96 0.56 0.00 0.08 1.85 -0.75 -4.48 116.66 109.95 2cpm n ARG 123 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.83 2cpm n ARG 123 Cb 0.54 -1.46 0.00 0.00 -1.05 0.00 0.00 32.46 30.49 2cpm n ARG 123 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2cpm n GLY 124 N 0.11 -0.88 0.31 2.89 0.00 -0.96 -5.03 105.19 101.63 2cpm n GLY 124 Ca 0.12 0.88 -0.01 0.00 0.00 0.00 0.00 46.02 47.01 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 0.81 -5.46 1.61 0.87 -1.75 -3.42 113.55 106.21 2cpm h SER 125 Ca 0.00 0.01 -0.19 0.00 -1.23 0.00 0.00 61.79 60.37 2cpm h SER 125 Cb 0.00 -0.17 -0.11 0.00 -0.44 0.00 0.00 62.40 61.69 2cpm h SER 125 CO 0.00 0.54 -0.31 -0.83 -0.53 0.00 0.00 176.83 175.71 2cpm s GLY 126 N -3.07 1.16 0.86 5.77 0.00 -1.26 -5.07 107.32 105.70 2cpm s GLY 126 Ca -0.13 -1.36 -0.11 0.00 0.00 0.00 0.00 44.72 43.12 2cpm s GLY 126 CO 0.78 -1.00 1.09 2.56 0.00 0.00 0.00 173.10 176.53 2cpm s PRO 127 N -3.76 1.59 0.06 2.90 0.04 -1.26 -5.08 135.00 129.48 2cpm s PRO 127 Ca 0.31 0.93 -0.22 0.00 0.04 0.00 0.00 61.00 62.06 2cpm s PRO 127 Cb 0.02 -1.84 0.05 0.00 0.04 0.00 0.00 34.50 32.77 2cpm s PRO 127 CO 0.14 -2.04 0.51 0.45 0.04 0.00 0.00 177.00 176.10 2cpm s SER 128 N -3.41 -0.43 0.17 6.66 0.15 -1.26 -5.14 113.70 110.44 2cpm s SER 128 Ca 0.63 0.12 -0.32 0.00 0.70 0.00 0.00 55.95 57.08 2cpm s SER 128 Cb -0.18 0.49 -0.10 0.00 -1.71 0.00 0.00 66.02 64.52 2cpm s SER 128 CO 0.57 -0.74 1.61 -0.55 1.20 0.00 0.00 173.24 175.32 2cpm s SER 129 N -2.08 6.54 0.00 5.45 0.15 -1.26 -5.30 113.70 117.20 2cpm s SER 129 Ca -0.04 2.66 0.00 0.00 0.70 0.00 0.00 55.95 59.27 2cpm s SER 129 Cb -0.00 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2cpm s SER 129 CO -0.03 -0.86 0.15 0.61 1.20 0.00 0.00 173.24 174.31