#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 1.52 0.07 1.61 0.15 -1.26 -5.12 113.70 110.67 2cpm s SER 38 Ca 0.00 -0.30 -0.33 0.00 0.70 0.00 0.00 55.95 56.02 2cpm s SER 38 Cb 0.00 0.31 -0.12 0.00 -1.71 0.00 0.00 66.02 64.50 2cpm s SER 38 CO 0.00 -0.33 1.78 -1.54 1.20 0.00 0.00 173.24 174.35 2cpm n SER 39 N 5.31 3.60 0.00 5.45 3.41 -1.26 -4.86 113.62 125.27 2cpm n SER 39 Ca -0.06 1.01 0.00 0.00 -0.26 0.00 0.00 58.87 59.56 2cpm n SER 39 Cb 0.49 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 62.98 2cpm n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cpm n GLY 40 N 4.05 -2.06 0.43 5.00 0.00 -1.26 -5.01 105.19 106.34 2cpm n GLY 40 Ca 0.19 -1.20 -0.16 0.00 0.00 0.00 0.00 46.02 44.84 2cpm n GLY 40 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2cpm h SER 41 N 0.00 -1.14 -2.85 1.61 0.02 -2.00 -3.41 113.55 105.77 2cpm h SER 41 Ca 0.00 0.10 -0.53 0.00 -0.84 0.00 0.00 61.79 60.52 2cpm h SER 41 Cb 0.00 0.39 0.02 0.00 0.14 0.00 0.00 62.40 62.95 2cpm h SER 41 CO 0.00 -0.56 0.86 -0.44 -1.14 0.00 0.00 176.83 175.55 2cpm s SER 42 N -4.52 6.71 0.00 3.07 0.01 -1.26 -4.60 113.70 113.11 2cpm s SER 42 Ca -0.17 2.41 0.00 0.00 1.31 0.00 0.00 55.95 59.50 2cpm s SER 42 Cb 0.05 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.71 2cpm s SER 42 CO 0.62 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 174.11 2cpm n GLY 43 N 3.73 -1.57 3.27 3.44 0.00 -1.26 -4.91 105.19 107.88 2cpm n GLY 43 Ca 0.14 0.62 -0.15 0.00 0.00 0.00 0.00 46.02 46.63 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 0.00 1.13 -0.04 1.61 -0.21 -1.26 -5.06 119.66 115.82 2cpm s GLN 44 Ca 0.00 -1.51 -0.09 0.00 0.02 0.00 0.00 55.36 53.78 2cpm s GLN 44 Cb 0.00 -0.60 -0.30 0.00 1.00 0.00 0.00 33.01 33.11 2cpm s GLN 44 CO 0.00 0.02 0.69 0.87 -2.12 0.00 0.00 175.29 174.75 2cpm h LYS 45 N 2.70 0.37 -0.10 2.91 6.56 -2.00 -3.34 116.57 123.67 2cpm h LYS 45 Ca -0.37 -0.63 0.01 0.00 -1.06 0.00 0.00 60.65 58.61 2cpm h LYS 45 Cb 1.20 0.23 -0.02 0.00 -0.57 0.00 0.00 32.23 33.07 2cpm h LYS 45 CO 0.64 1.28 -0.11 0.28 -2.06 0.00 0.00 179.45 179.47 2cpm h VAL 46 N 0.10 0.00 -0.81 0.50 2.07 -1.99 0.23 116.25 116.35 2cpm h VAL 46 Ca -0.33 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.38 2cpm h VAL 46 Cb 2.09 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 31.72 2cpm h VAL 46 CO 0.17 0.00 0.04 1.05 0.02 0.00 0.00 177.57 178.86 2cpm h GLU 47 N -0.06 0.11 -0.05 1.57 4.11 -2.01 0.29 114.58 118.53 2cpm h GLU 47 Ca 0.02 -0.01 0.03 0.00 0.07 0.00 0.00 59.36 59.47 2cpm h GLU 47 Cb 0.11 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 2cpm h GLU 47 CO -0.13 0.07 -0.13 0.35 0.07 0.00 0.00 179.01 179.25 2cpm h PHE 48 N 0.11 -0.32 -0.44 2.06 3.57 -1.31 -2.35 116.94 118.26 2cpm h PHE 48 Ca 0.46 0.01 0.09 0.00 3.53 0.00 0.00 57.97 62.06 2cpm h PHE 48 Cb 0.85 0.15 -0.10 0.00 2.79 0.00 0.00 35.95 39.64 2cpm h PHE 48 CO -0.41 -0.19 -0.27 -0.09 -2.23 0.00 0.00 178.31 175.12 2cpm h ARG 49 N -0.19 -0.17 -0.41 1.11 2.43 0.15 -0.75 114.38 116.55 2cpm h ARG 49 Ca 0.06 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.33 2cpm h ARG 49 Cb 0.27 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 29.78 2cpm h ARG 49 CO -0.16 -0.12 -0.09 0.87 -1.51 0.00 0.00 179.97 178.96 2cpm h LYS 50 N -0.18 0.01 -0.76 0.20 1.57 -1.11 -0.09 116.57 116.21 2cpm h LYS 50 Ca 0.20 -0.00 0.08 0.00 -1.87 0.00 0.00 60.65 59.07 2cpm h LYS 50 Cb 0.50 -0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.74 2cpm h LYS 50 CO -0.55 0.01 0.42 -0.09 -0.57 0.00 0.00 179.45 178.67 2cpm h ARG 51 N 0.01 0.71 -0.42 3.15 2.43 -0.69 -1.89 114.38 117.68 2cpm h ARG 51 Ca 0.20 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 2cpm h ARG 51 Cb 0.30 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 2cpm h ARG 51 CO -0.42 0.47 0.17 0.52 -1.51 0.00 0.00 179.97 179.20 2cpm h MET 52 N 0.73 0.62 -0.63 0.20 2.86 0.14 -2.02 114.93 116.84 2cpm h MET 52 Ca 0.36 -0.11 0.09 0.00 -2.06 0.00 0.00 59.70 57.99 2cpm h MET 52 Cb 0.32 -0.10 -0.07 0.00 0.06 0.00 0.00 31.60 31.80 2cpm h MET 52 CO -0.23 0.58 0.25 0.93 1.06 0.00 0.00 176.91 179.49 2cpm h GLU 53 N 0.53 0.43 0.69 1.72 5.08 -0.30 0.54 114.58 123.26 2cpm h GLU 53 Ca 0.14 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2cpm h GLU 53 Cb 0.19 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.35 2cpm h GLU 53 CO -0.01 0.28 -0.33 -0.22 -1.00 0.00 0.00 179.01 177.73 2cpm h LYS 54 N 0.44 -0.90 -0.56 2.33 3.11 -1.21 -1.66 116.57 118.12 2cpm h LYS 54 Ca 0.32 0.06 0.11 0.00 -2.81 0.00 0.00 60.65 58.33 2cpm h LYS 54 Cb 0.38 0.20 -0.10 0.00 -1.00 0.00 0.00 32.23 31.71 2cpm h LYS 54 CO -0.30 -0.57 -0.09 0.93 -2.81 0.00 0.00 179.45 176.61 2cpm h GLU 55 N -1.11 0.03 0.50 1.90 4.39 -1.11 -1.35 114.58 117.83 2cpm h GLU 55 Ca -0.09 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 2cpm h GLU 55 Cb 0.74 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.37 2cpm h GLU 55 CO 0.16 0.02 -0.44 0.28 -1.16 0.00 0.00 179.01 177.87 2cpm h VAL 56 N 0.03 0.00 -0.63 3.13 2.07 -0.87 -2.21 116.25 117.78 2cpm h VAL 56 Ca 0.28 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.89 2cpm h VAL 56 Cb 0.43 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.09 2cpm h VAL 56 CO -0.55 0.00 -0.45 -1.28 0.02 0.00 0.00 177.57 175.32 2cpm h SER 57 N -0.92 -1.56 -0.78 0.57 0.87 -0.85 0.18 113.55 111.06 2cpm h SER 57 Ca -0.06 0.26 0.19 0.00 -1.23 0.00 0.00 61.79 60.94 2cpm h SER 57 Cb 0.78 0.71 -0.13 0.00 -0.44 0.00 0.00 62.40 63.32 2cpm h SER 57 CO -0.02 -0.33 0.09 -0.78 -0.53 0.00 0.00 176.83 175.26 2cpm h ASP 58 N -0.21 -0.20 -0.45 6.23 1.82 -1.13 0.35 116.42 122.84 2cpm h ASP 58 Ca 0.18 0.19 -0.06 0.00 -0.39 0.00 0.00 57.03 56.95 2cpm h ASP 58 Cb 0.56 0.30 -0.02 0.00 0.68 0.00 0.00 39.33 40.84 2cpm h ASP 58 CO -0.72 -0.15 0.08 0.15 -1.61 0.00 0.00 179.24 176.99 2cpm h PHE 59 N 0.16 0.84 0.32 0.28 3.04 -0.10 -2.37 116.94 119.12 2cpm h PHE 59 Ca 0.45 -0.09 0.00 0.00 3.98 0.00 0.00 57.97 62.31 2cpm h PHE 59 Cb 0.82 -0.24 -0.02 0.00 2.56 0.00 0.00 35.95 39.06 2cpm h PHE 59 CO -0.35 0.74 -0.34 0.82 -2.02 0.00 0.00 178.31 177.15 2cpm h ILE 60 N 0.77 0.29 -0.58 1.41 2.04 0.17 -2.77 117.51 118.84 2cpm h ILE 60 Ca 0.16 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.05 2cpm h ILE 60 Cb 0.35 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 2cpm h ILE 60 CO 0.01 0.00 0.35 1.56 0.00 0.00 0.00 178.15 180.06 2cpm h GLN 61 N -0.70 0.66 -6.26 2.37 4.20 -1.34 -3.41 115.11 110.63 2cpm h GLN 61 Ca -0.02 -0.04 -0.63 0.00 0.06 0.00 0.00 58.65 58.02 2cpm h GLN 61 Cb 0.64 -0.15 0.02 0.00 0.30 0.00 0.00 27.48 28.29 2cpm h GLN 61 CO -0.07 0.44 1.06 -0.25 -0.67 0.00 0.00 178.83 179.33 2cpm n ASP 62 N -4.76 3.27 -0.07 1.46 9.92 -0.90 -4.88 116.55 120.59 2cpm n ASP 62 Ca 0.05 0.99 -0.21 0.00 -0.53 0.00 0.00 54.79 55.10 2cpm n ASP 62 Cb 0.09 -1.34 -0.12 0.00 -0.64 0.00 0.00 41.12 39.11 2cpm n ASP 62 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 2cpm h SER 63 N 8.79 0.10 -1.02 -2.24 4.64 -1.83 -3.36 113.55 118.62 2cpm h SER 63 Ca -0.48 -0.67 0.35 0.00 -0.47 0.00 0.00 61.79 60.52 2cpm h SER 63 Cb 1.28 -0.03 -0.16 0.00 -0.31 0.00 0.00 62.40 63.18 2cpm h SER 63 CO 0.95 1.47 0.58 1.23 -0.87 0.00 0.00 176.83 180.19 2cpm h GLY 64 N -0.66 2.07 -4.95 -0.77 0.00 -1.96 -3.37 103.07 93.43 2cpm h GLY 64 Ca -0.30 -0.21 -0.56 0.00 0.00 0.00 0.00 47.33 46.26 2cpm h GLY 64 CO -0.11 -0.57 0.07 1.20 0.00 0.00 0.00 176.54 177.13 2cpm s GLN 65 N -5.60 4.42 -0.05 4.80 -0.21 -1.26 -4.94 119.66 116.81 2cpm s GLN 65 Ca -0.10 0.87 0.14 0.00 0.02 0.00 0.00 55.36 56.29 2cpm s GLN 65 Cb 0.31 -3.42 -0.21 0.00 1.00 0.00 0.00 33.01 30.69 2cpm s GLN 65 CO 0.79 0.16 0.25 0.44 -2.12 0.00 0.00 175.29 174.80 2cpm n ILE 66 N 3.44 0.28 -3.90 1.08 -5.35 -1.26 -4.93 119.36 108.71 2cpm n ILE 66 Ca -0.03 -0.41 -0.09 0.00 -0.27 0.00 0.00 62.75 61.95 2cpm n ILE 66 Cb 0.51 -0.07 -0.07 0.00 -1.74 0.00 0.00 39.64 38.26 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 -2.83 0.96 -0.04 6.28 -2.85 -1.26 -2.27 119.74 117.72 2cpm s LYS 67 Ca -0.06 -1.04 0.01 0.00 -1.00 0.00 0.00 55.97 53.87 2cpm s LYS 67 Cb 0.08 0.35 0.02 0.00 -2.06 0.00 0.00 37.83 36.23 2cpm s LYS 67 CO 0.61 -0.32 -0.02 0.21 0.10 0.00 0.00 175.35 175.92 2cpm s LYS 68 N -3.90 0.54 -0.25 1.78 2.20 -0.63 -5.02 119.74 114.45 2cpm s LYS 68 Ca 0.10 -0.00 -0.09 0.00 -0.36 0.00 0.00 55.97 55.62 2cpm s LYS 68 Cb 0.04 -0.65 -0.04 0.00 -1.51 0.00 0.00 37.83 35.67 2cpm s LYS 68 CO -0.07 -0.12 0.11 0.21 -0.36 0.00 0.00 175.35 175.13 2cpm s LYS 69 N 1.00 3.80 0.21 4.03 2.20 -1.26 -1.66 119.74 128.06 2cpm s LYS 69 Ca -0.10 -0.40 0.04 0.00 -0.36 0.00 0.00 55.97 55.15 2cpm s LYS 69 Cb -0.14 -3.43 -0.03 0.00 -1.51 0.00 0.00 37.83 32.72 2cpm s LYS 69 CO -0.01 -0.13 0.31 -0.06 -0.36 0.00 0.00 175.35 175.11 2cpm s PHE 70 N 1.51 3.41 -0.14 4.03 0.08 -0.48 -5.04 117.98 121.36 2cpm s PHE 70 Ca 0.06 0.01 -0.08 0.00 0.12 0.00 0.00 56.93 57.05 2cpm s PHE 70 Cb -0.15 -1.58 -0.04 0.00 -0.57 0.00 0.00 43.02 40.68 2cpm s PHE 70 CO 0.06 0.47 0.14 -0.65 -0.10 0.00 0.00 175.22 175.14 2cpm s GLN 71 N -3.70 3.59 -1.17 0.44 -0.21 -1.26 -3.86 119.66 113.49 2cpm s GLN 71 Ca 0.34 -0.15 -0.23 0.00 0.02 0.00 0.00 55.36 55.34 2cpm s GLN 71 Cb -0.10 -3.24 -0.08 0.00 1.00 0.00 0.00 33.01 30.59 2cpm s GLN 71 CO 0.28 0.68 1.93 -1.25 -2.12 0.00 0.00 175.29 174.82 2cpm s PRO 72 N -0.75 2.50 -0.06 2.91 0.04 -1.26 -4.68 135.00 133.71 2cpm s PRO 72 Ca 0.14 -1.13 -0.17 0.00 0.04 0.00 0.00 61.00 59.87 2cpm s PRO 72 Cb -0.12 -5.24 -0.31 0.00 0.04 0.00 0.00 34.50 28.88 2cpm s PRO 72 CO 0.03 -3.95 0.75 0.52 0.04 0.00 0.00 177.00 174.39 2cpm h MET 73 N 9.79 0.33 -5.42 4.56 2.86 -1.95 -3.48 114.93 121.63 2cpm h MET 73 Ca 0.21 -0.57 -0.41 0.00 -2.06 0.00 0.00 59.70 56.87 2cpm h MET 73 Cb 0.94 0.21 -0.16 0.00 0.06 0.00 0.00 31.60 32.66 2cpm h MET 73 CO 1.22 1.27 -0.74 1.21 1.06 0.00 0.00 176.91 180.94 2cpm s ASN 74 N -7.15 2.21 0.13 1.22 3.84 -1.26 -5.05 114.94 108.89 2cpm s ASN 74 Ca -0.15 -0.95 -0.01 0.00 0.21 0.00 0.00 52.86 51.96 2cpm s ASN 74 Cb 0.03 -0.08 -0.09 0.00 -0.55 0.00 0.00 41.25 40.55 2cpm s ASN 74 CO 0.83 -0.20 1.31 0.07 -2.79 0.00 0.00 177.10 176.32 2cpm h LYS 75 N 2.94 0.27 0.00 0.43 2.10 -1.99 -3.24 116.57 117.07 2cpm h LYS 75 Ca -0.38 -0.32 0.00 0.00 -2.00 0.00 0.00 60.65 57.95 2cpm h LYS 75 Cb 1.20 0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 2cpm h LYS 75 CO 0.58 1.05 -0.88 -0.89 -2.00 0.00 0.00 179.45 177.32 2cpm n ILE 76 N -3.65 0.32 -0.27 0.07 2.08 -1.26 -4.09 119.36 112.56 2cpm n ILE 76 Ca -0.05 -0.32 0.12 0.00 0.56 0.00 0.00 62.75 63.06 2cpm n ILE 76 Cb 0.86 -0.04 0.37 0.00 -0.75 0.00 0.00 39.64 40.09 2cpm n ILE 76 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 2cpm h GLU 77 N 0.00 0.68 -0.56 0.38 4.81 -1.97 -0.88 114.58 117.05 2cpm h GLU 77 Ca 0.00 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2cpm h GLU 77 Cb 0.79 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 2cpm h GLU 77 CO 0.00 0.45 0.37 0.00 -0.73 0.00 0.00 179.01 179.10 2cpm h ARG 78 N 0.70 0.73 0.46 1.92 3.08 -1.72 0.24 114.38 119.78 2cpm h ARG 78 Ca 0.45 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.44 2cpm h ARG 78 Cb 0.73 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.61 2cpm h ARG 78 CO -0.21 0.49 -0.22 1.03 -1.07 0.00 0.00 179.97 179.98 2cpm h SER 79 N 0.76 -0.52 0.12 7.04 0.87 -1.43 0.17 113.55 120.56 2cpm h SER 79 Ca 0.20 -0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.72 2cpm h SER 79 Cb -0.09 0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 61.97 2cpm h SER 79 CO -0.04 -0.24 -0.32 0.40 -0.53 0.00 0.00 176.83 176.10 2cpm h ILE 80 N -0.79 0.32 -0.81 2.23 2.04 -1.31 -1.88 117.51 117.31 2cpm h ILE 80 Ca -0.06 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.83 2cpm h ILE 80 Cb 0.55 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 2cpm h ILE 80 CO 0.10 0.00 0.53 0.25 0.00 0.00 0.00 178.15 179.04 2cpm h LEU 81 N -0.54 0.88 -0.63 1.44 5.85 -0.98 -2.12 115.31 119.21 2cpm h LEU 81 Ca 0.03 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.81 2cpm h LEU 81 Cb 0.57 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 2cpm h LEU 81 CO -0.18 0.61 0.30 0.45 -0.34 0.00 0.00 178.44 179.28 2cpm h HIS 82 N 1.02 0.55 -0.43 1.25 3.86 0.10 -0.89 115.15 120.60 2cpm h HIS 82 Ca 0.32 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.47 2cpm h HIS 82 Cb -0.00 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.30 2cpm h HIS 82 CO -0.00 0.22 -0.06 0.22 0.86 0.00 0.00 177.93 179.17 2cpm h ASP 83 N 0.55 0.80 -0.69 2.45 1.82 -0.74 -1.92 116.42 118.70 2cpm h ASP 83 Ca 0.30 -0.34 0.03 0.00 -0.39 0.00 0.00 57.03 56.63 2cpm h ASP 83 Cb 0.27 -0.22 -0.04 0.00 0.68 0.00 0.00 39.33 40.03 2cpm h ASP 83 CO -0.23 0.95 0.45 0.58 -1.61 0.00 0.00 179.24 179.38 2cpm h VAL 84 N 0.64 1.10 0.30 2.25 2.07 -0.83 -1.35 116.25 120.42 2cpm h VAL 84 Ca 0.12 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 2cpm h VAL 84 Cb 0.57 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2cpm h VAL 84 CO 0.03 0.15 -0.14 0.58 0.02 0.00 0.00 177.57 178.21 2cpm h VAL 85 N 0.83 0.00 -1.19 2.57 2.07 -1.00 -2.03 116.25 117.51 2cpm h VAL 85 Ca 0.27 -0.49 0.34 0.00 0.82 0.00 0.00 66.70 67.64 2cpm h VAL 85 Cb 0.06 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.74 2cpm h VAL 85 CO -0.08 0.00 0.80 1.05 0.02 0.00 0.00 177.57 179.36 2cpm h GLU 86 N -0.89 0.18 -0.08 1.57 4.11 -1.31 0.27 114.58 118.43 2cpm h GLU 86 Ca -0.04 -0.01 -0.13 0.00 0.07 0.00 0.00 59.36 59.25 2cpm h GLU 86 Cb 0.31 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.52 2cpm h GLU 86 CO 0.07 0.12 -0.46 0.28 0.07 0.00 0.00 179.01 179.09 2cpm h VAL 87 N 0.19 1.39 -0.29 -1.06 2.07 -1.29 -3.19 116.25 114.06 2cpm h VAL 87 Ca 0.65 -1.82 0.01 0.00 0.82 0.00 0.00 66.70 66.36 2cpm h VAL 87 Cb 2.06 2.27 -0.01 0.00 -1.52 0.00 0.00 31.29 34.09 2cpm h VAL 87 CO -0.22 0.54 0.20 0.00 0.02 0.00 0.00 177.57 178.11 2cpm h ALA 88 N 0.45 1.85 0.00 1.67 0.00 0.26 -3.46 119.26 120.03 2cpm h ALA 88 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2cpm h ALA 88 Cb 1.11 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2cpm h ALA 88 CO 0.09 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.88 2cpm n GLY 89 N -1.50 1.28 3.49 0.00 0.00 -0.50 -5.10 105.19 102.85 2cpm n GLY 89 Ca 0.02 0.00 -0.23 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 2.25 0.03 0.99 1.43 -1.15 -4.73 118.68 117.51 2cpm s LEU 90 Ca 0.00 -1.41 -0.16 0.00 -1.03 0.00 0.00 54.13 51.53 2cpm s LEU 90 Cb 0.00 -0.43 -0.06 0.00 0.03 0.00 0.00 46.19 45.73 2cpm s LEU 90 CO 0.00 -0.62 0.47 -0.89 0.23 0.00 0.00 176.35 175.54 2cpm s THR 91 N -3.21 4.92 0.01 5.49 2.01 0.15 -4.18 115.64 120.84 2cpm s THR 91 Ca 0.34 0.98 0.04 0.00 0.31 0.00 0.00 61.69 63.37 2cpm s THR 91 Cb 0.08 -3.78 -0.02 0.00 0.01 0.00 0.00 72.50 68.80 2cpm s THR 91 CO 0.15 0.57 -0.13 -0.94 -0.69 0.00 0.00 174.62 173.58 2cpm s SER 92 N -1.10 1.56 -0.24 3.53 1.04 -1.26 0.29 113.70 117.52 2cpm s SER 92 Ca 0.26 -0.33 -0.18 0.00 0.48 0.00 0.00 55.95 56.17 2cpm s SER 92 Cb -0.18 -0.14 0.07 0.00 0.10 0.00 0.00 66.02 65.87 2cpm s SER 92 CO 0.16 0.10 0.62 -0.36 0.98 0.00 0.00 173.24 174.73 2cpm s PHE 93 N -0.55 -0.80 -0.37 5.02 0.08 -0.37 -4.95 117.98 116.03 2cpm s PHE 93 Ca 0.03 1.78 -0.19 0.00 0.12 0.00 0.00 56.93 58.67 2cpm s PHE 93 Cb -0.06 0.37 0.00 0.00 -0.57 0.00 0.00 43.02 42.77 2cpm s PHE 93 CO 0.00 -0.40 0.55 -1.54 -0.10 0.00 0.00 175.22 173.73 2cpm s SER 94 N 0.92 6.33 -0.14 1.36 1.04 -1.26 -1.14 113.70 120.81 2cpm s SER 94 Ca -0.05 -0.11 0.02 0.00 0.48 0.00 0.00 55.95 56.30 2cpm s SER 94 Cb -0.05 -2.28 0.01 0.00 0.10 0.00 0.00 66.02 63.80 2cpm s SER 94 CO -0.08 -0.56 -0.20 -0.36 0.98 0.00 0.00 173.24 173.02 2cpm s PHE 95 N 2.50 2.48 0.04 5.02 0.08 -0.85 -4.97 117.98 122.29 2cpm s PHE 95 Ca 0.20 -1.28 0.01 0.00 0.12 0.00 0.00 56.93 55.98 2cpm s PHE 95 Cb -0.15 -1.72 -0.03 0.00 -0.57 0.00 0.00 43.02 40.55 2cpm s PHE 95 CO 0.15 -0.61 -0.05 0.20 -0.10 0.00 0.00 175.22 174.80 2cpm s GLY 96 N 0.97 0.43 -0.03 4.36 0.00 -1.26 -2.70 107.32 109.09 2cpm s GLY 96 Ca -0.04 -0.84 -0.07 0.00 0.00 0.00 0.00 44.72 43.76 2cpm s GLY 96 CO -0.04 -0.92 0.72 0.83 0.00 0.00 0.00 173.10 173.70 2cpm h GLU 97 N 4.15 0.32 -5.39 2.90 5.08 -1.97 -3.47 114.58 116.21 2cpm h GLU 97 Ca -0.34 -0.55 -0.54 0.00 -1.00 0.00 0.00 59.36 56.92 2cpm h GLU 97 Cb 1.19 0.21 -0.30 0.00 0.50 0.00 0.00 28.75 30.34 2cpm h GLU 97 CO 0.48 1.21 -0.83 -0.51 -1.00 0.00 0.00 179.01 178.36 2cpm s ASP 98 N -7.13 2.03 0.31 1.42 1.11 -1.07 -5.03 116.67 108.32 2cpm s ASP 98 Ca -0.13 -0.32 0.07 0.00 0.18 0.00 0.00 52.55 52.34 2cpm s ASP 98 Cb 0.06 -0.42 0.86 0.00 1.07 0.00 0.00 42.92 44.49 2cpm s ASP 98 CO 0.85 0.17 1.65 -0.78 1.18 0.00 0.00 175.17 178.24 2cpm h ASP 99 N 6.04 0.19 -0.47 0.27 1.82 -2.03 0.37 116.42 122.61 2cpm h ASP 99 Ca -0.34 0.20 -0.08 0.00 -0.39 0.00 0.00 57.03 56.41 2cpm h ASP 99 Cb 1.16 0.22 -0.02 0.00 0.68 0.00 0.00 39.33 41.38 2cpm h ASP 99 CO 0.48 -0.15 -0.02 -0.78 -1.61 0.00 0.00 179.24 177.16 2cpm h ASP 100 N 0.25 0.82 -3.62 2.28 3.58 -2.01 -3.39 116.42 114.33 2cpm h ASP 100 Ca 0.62 -0.32 -0.70 0.00 0.42 0.00 0.00 57.03 57.06 2cpm h ASP 100 Cb 1.33 -0.22 -0.30 0.00 1.72 0.00 0.00 39.33 41.87 2cpm h ASP 100 CO -0.64 0.94 -0.59 0.00 -2.88 0.00 0.00 179.24 176.07 2cpm s ARG 102 N 1.36 1.14 0.41 0.00 1.70 -1.23 -2.61 118.95 119.72 2cpm s ARG 102 Ca -0.00 -0.11 0.03 0.00 -0.47 0.00 0.00 55.73 55.18 2cpm s ARG 102 Cb -0.21 -1.31 -0.00 0.00 -0.57 0.00 0.00 34.95 32.87 2cpm s ARG 102 CO 0.01 -0.26 0.59 1.52 -1.08 0.00 0.00 175.30 176.09 2cpm s TYR 103 N 1.74 3.13 -0.08 5.89 1.13 -1.10 -4.68 117.35 123.38 2cpm s TYR 103 Ca 0.04 -0.00 0.00 0.00 -1.41 0.00 0.00 57.07 55.70 2cpm s TYR 103 Cb -0.13 -2.23 -0.03 0.00 -1.10 0.00 0.00 41.96 38.48 2cpm s TYR 103 CO -0.06 -0.27 -0.07 0.54 -2.51 0.00 0.00 175.55 173.18 2cpm s VAL 104 N -2.41 3.67 0.21 -3.49 0.11 -1.25 -2.00 120.40 115.24 2cpm s VAL 104 Ca 0.48 -0.48 0.06 0.00 -2.93 0.00 0.00 61.98 59.10 2cpm s VAL 104 Cb -0.10 -2.51 -0.05 0.00 -1.53 0.00 0.00 36.38 32.19 2cpm s VAL 104 CO 0.35 0.58 -0.09 -0.04 -3.33 0.00 0.00 175.10 172.58 2cpm s MET 105 N -0.64 1.29 0.00 1.54 -1.94 -0.29 -1.38 119.30 117.87 2cpm s MET 105 Ca 0.10 -1.60 -0.01 0.00 -1.71 0.00 0.00 55.69 52.47 2cpm s MET 105 Cb -0.11 -0.87 -0.00 0.00 2.01 0.00 0.00 34.83 35.85 2cpm s MET 105 CO 0.02 0.07 0.01 0.96 -0.01 0.00 0.00 175.02 176.06 2cpm s ILE 106 N -3.18 0.04 0.26 2.53 -4.36 -0.66 -1.24 121.20 114.57 2cpm s ILE 106 Ca 0.23 -0.30 0.08 0.00 -0.26 0.00 0.00 60.65 60.40 2cpm s ILE 106 Cb 0.02 -0.12 -0.05 0.00 1.25 0.00 0.00 42.46 43.56 2cpm s ILE 106 CO 0.06 -0.16 -0.11 -0.36 0.24 0.00 0.00 174.94 174.60 2cpm s PHE 107 N -0.48 1.95 0.83 1.37 0.40 0.14 -1.61 117.98 120.58 2cpm s PHE 107 Ca -0.05 -0.58 -0.11 0.00 -0.60 0.00 0.00 56.93 55.58 2cpm s PHE 107 Cb -0.03 -1.00 0.13 0.00 0.51 0.00 0.00 43.02 42.62 2cpm s PHE 107 CO -0.00 0.40 1.17 0.15 0.70 0.00 0.00 175.22 177.63 2cpm s LYS 108 N -3.66 1.47 0.02 0.44 1.02 -0.96 0.33 119.74 118.40 2cpm s LYS 108 Ca 0.27 -0.34 -0.25 0.00 0.02 0.00 0.00 55.97 55.68 2cpm s LYS 108 Cb 0.01 -2.01 -0.18 0.00 -0.52 0.00 0.00 37.83 35.12 2cpm s LYS 108 CO 0.11 -1.81 1.44 -0.22 -0.92 0.00 0.00 175.35 173.95 2cpm h LYS 109 N -1.10 0.02 0.06 1.68 1.63 -1.91 0.50 116.57 117.45 2cpm h LYS 109 Ca -0.44 -0.01 -0.27 0.00 -0.85 0.00 0.00 60.65 59.08 2cpm h LYS 109 Cb 1.28 -0.00 0.03 0.00 -0.60 0.00 0.00 32.23 32.93 2cpm h LYS 109 CO 0.50 0.33 -1.11 1.49 -3.45 0.00 0.00 179.45 177.21 2cpm h GLU 110 N -0.29 0.64 -0.74 1.90 4.57 -1.97 -3.17 114.58 115.52 2cpm h GLU 110 Ca 0.00 -0.78 0.00 0.00 -1.18 0.00 0.00 59.36 57.41 2cpm h GLU 110 Cb 0.32 0.24 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 2cpm h GLU 110 CO 0.00 1.34 0.00 1.19 -1.18 0.00 0.00 179.01 180.36 2cpm n PHE 111 N -3.86 0.60 -2.29 0.92 3.72 -1.23 -4.91 117.46 110.41 2cpm n PHE 111 Ca -0.12 -0.22 -0.38 0.00 -0.05 0.00 0.00 57.45 56.68 2cpm n PHE 111 Cb 0.92 -0.19 -0.02 0.00 -0.94 0.00 0.00 39.48 39.25 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 -1.59 3.11 0.74 4.37 0.00 0.17 -4.33 121.76 124.23 2cpm s ALA 112 Ca 0.17 0.95 -0.12 0.00 0.00 0.00 0.00 51.96 52.97 2cpm s ALA 112 Cb 0.12 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.91 2cpm s ALA 112 CO 0.06 -0.55 1.10 -1.25 0.00 0.00 0.00 175.76 175.12 2cpm s PRO 113 N -2.41 2.39 0.44 0.00 0.04 -1.26 -5.03 135.00 129.17 2cpm s PRO 113 Ca 0.59 1.23 -0.02 0.00 0.04 0.00 0.00 61.00 62.83 2cpm s PRO 113 Cb -0.30 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 2cpm s PRO 113 CO 0.37 -1.55 0.68 -1.12 0.04 0.00 0.00 177.00 175.43 2cpm s SER 114 N -3.18 6.11 0.03 6.66 0.01 -1.26 -4.91 113.70 117.15 2cpm s SER 114 Ca 0.63 0.58 -0.12 0.00 1.31 0.00 0.00 55.95 58.34 2cpm s SER 114 Cb -0.18 -1.94 -0.06 0.00 0.21 0.00 0.00 66.02 64.05 2cpm s SER 114 CO 0.52 -0.55 1.19 0.44 0.41 0.00 0.00 173.24 175.25 2cpm h ASP 115 N 0.42 -0.48 -0.52 2.44 5.19 -1.99 0.39 116.42 121.88 2cpm h ASP 115 Ca -0.48 0.04 0.10 0.00 -0.62 0.00 0.00 57.03 56.07 2cpm h ASP 115 Cb 1.23 0.16 -0.08 0.00 0.18 0.00 0.00 39.33 40.81 2cpm h ASP 115 CO 0.60 -0.23 0.05 -0.33 -3.12 0.00 0.00 179.24 176.21 2cpm h GLU 116 N -0.34 0.16 -0.72 3.56 4.39 -2.01 -1.00 114.58 118.62 2cpm h GLU 116 Ca -0.02 -0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.74 2cpm h GLU 116 Cb 0.30 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 28.85 2cpm h GLU 116 CO -0.02 0.11 0.41 0.93 -1.16 0.00 0.00 179.01 179.27 2cpm h GLU 117 N 0.17 0.72 -0.10 2.33 5.08 -1.93 -2.37 114.58 118.49 2cpm h GLU 117 Ca 0.26 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.62 2cpm h GLU 117 Cb 0.39 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 2cpm h GLU 117 CO -0.40 0.48 -0.16 -0.07 -1.00 0.00 0.00 179.01 177.86 2cpm h LEU 118 N 0.74 -0.48 -0.42 1.33 3.38 0.11 0.52 115.31 120.50 2cpm h LEU 118 Ca 0.33 0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.46 2cpm h LEU 118 Cb 0.22 0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.12 2cpm h LEU 118 CO -0.19 -0.21 0.02 -0.78 0.09 0.00 0.00 178.44 177.37 2cpm h ASP 119 N -0.21 -0.14 -0.02 -0.43 1.82 -0.98 -1.15 116.42 115.31 2cpm h ASP 119 Ca 0.08 0.09 -0.10 0.00 -0.39 0.00 0.00 57.03 56.72 2cpm h ASP 119 Cb 0.33 0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.49 2cpm h ASP 119 CO -0.22 -0.03 -0.28 0.28 -1.61 0.00 0.00 179.24 177.37 2cpm h SER 120 N 0.13 0.46 -0.57 2.28 0.02 -0.94 -2.40 113.55 112.52 2cpm h SER 120 Ca 0.21 -0.16 0.06 0.00 -0.84 0.00 0.00 61.79 61.06 2cpm h SER 120 Cb 0.29 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.65 2cpm h SER 120 CO -0.33 0.72 0.27 1.88 -1.14 0.00 0.00 176.83 178.24 2cpm h TYR 121 N 0.39 0.50 -0.19 3.45 0.05 0.13 -0.40 116.97 120.90 2cpm h TYR 121 Ca 0.05 0.02 -0.12 0.00 0.05 0.00 0.00 58.73 58.73 2cpm h TYR 121 Cb 0.70 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.30 2cpm h TYR 121 CO 0.02 0.21 -0.37 0.00 -1.05 0.00 0.00 178.16 176.97 2cpm h ARG 122 N 0.51 0.58 -0.09 4.88 -0.00 -1.27 -3.04 114.38 115.95 2cpm h ARG 122 Ca 0.26 -0.38 0.03 0.00 -0.50 0.00 0.00 59.98 59.39 2cpm h ARG 122 Cb 0.21 0.05 -0.00 0.00 0.00 0.00 0.00 29.97 30.23 2cpm h ARG 122 CO -0.20 0.99 0.08 0.00 0.00 0.00 0.00 179.97 180.84 2cpm h ARG 123 N 0.24 0.00 -1.32 0.04 2.47 -1.01 -3.46 114.38 111.33 2cpm h ARG 123 Ca 0.01 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2cpm h ARG 123 Cb 0.97 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.29 2cpm h ARG 123 CO 0.08 0.00 -0.01 0.41 0.56 0.00 0.00 179.97 181.02 2cpm n GLY 124 N -1.44 0.80 3.79 0.04 0.00 -0.20 -5.04 105.19 103.14 2cpm n GLY 124 Ca -0.01 -0.62 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 2cpm n GLY 124 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cpm s SER 125 N -3.00 7.01 0.52 1.61 0.15 -1.09 -5.07 113.70 113.83 2cpm s SER 125 Ca 0.00 1.89 0.00 0.00 0.70 0.00 0.00 55.95 58.55 2cpm s SER 125 Cb -0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2cpm s SER 125 CO 0.01 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.75 2cpm n GLY 126 N 0.24 0.29 3.57 9.45 0.00 -1.26 -4.96 105.19 112.52 2cpm n GLY 126 Ca 0.04 -1.88 -0.40 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.40 2.93 0.12 1.61 0.04 -1.26 -4.97 135.00 131.08 2cpm s PRO 127 Ca 0.00 0.89 0.04 0.00 0.04 0.00 0.00 61.00 61.97 2cpm s PRO 127 Cb 0.00 -4.29 -0.04 0.00 0.04 0.00 0.00 34.50 30.21 2cpm s PRO 127 CO 0.00 -2.35 -0.11 -1.54 0.04 0.00 0.00 177.00 173.04 2cpm s SER 128 N 7.08 1.63 -0.19 6.66 1.04 -1.26 -5.14 113.70 123.51 2cpm s SER 128 Ca 0.70 -0.88 -0.09 0.00 0.48 0.00 0.00 55.95 56.17 2cpm s SER 128 Cb -0.16 -0.01 -0.05 0.00 0.10 0.00 0.00 66.02 65.91 2cpm s SER 128 CO 0.26 -0.27 0.10 -0.94 0.98 0.00 0.00 173.24 173.36 2cpm s SER 129 N -2.68 5.94 0.00 7.02 1.04 -1.26 -5.27 113.70 118.48 2cpm s SER 129 Ca 0.10 0.17 0.25 0.00 0.48 0.00 0.00 55.95 56.94 2cpm s SER 129 Cb -0.01 -2.03 1.48 0.00 0.10 0.00 0.00 66.02 65.56 2cpm s SER 129 CO 0.00 0.18 1.84 0.61 0.98 0.00 0.00 173.24 176.86