#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pyi h ARG 31 N 0.00 0.18 -0.97 4.33 9.65 -1.98 -3.41 114.38 122.18 1pyi h ARG 31 Ca 0.00 -0.06 0.13 0.00 -1.10 0.00 0.00 59.98 58.95 1pyi h ARG 31 Cb 0.00 -0.01 -0.21 0.00 -1.39 0.00 0.00 29.97 28.35 1pyi h ARG 31 CO 0.00 0.45 -0.10 0.99 2.80 0.00 0.00 179.97 184.11 1pyi s THR 32 N -4.40 -0.78 0.01 0.20 2.01 -1.26 -5.15 115.64 106.27 1pyi s THR 32 Ca -0.04 0.00 -0.13 0.00 0.31 0.00 0.00 61.69 61.83 1pyi s THR 32 Cb 0.14 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.60 1pyi s THR 32 CO 0.74 0.00 0.38 0.00 -0.69 0.00 0.00 174.62 175.06 1pyi s ALA 33 N 2.85 3.72 1.19 7.40 0.00 -1.26 -4.80 121.76 130.86 1pyi s ALA 33 Ca 0.09 -0.30 -0.14 0.00 0.00 0.00 0.00 51.96 51.61 1pyi s ALA 33 Cb -0.12 -2.32 0.29 0.00 0.00 0.00 0.00 23.12 20.96 1pyi s ALA 33 CO -0.18 0.52 1.02 0.00 0.00 0.00 0.00 175.76 177.12 1pyi n LYS 35 N -4.92 0.00 -0.05 0.00 4.81 -0.67 -0.00 118.16 117.33 1pyi n LYS 35 Ca 0.05 0.18 -0.01 0.00 -0.87 0.00 0.00 58.31 57.66 1pyi n LYS 35 Cb 0.56 -1.00 -0.01 0.00 0.02 0.00 0.00 35.03 34.60 1pyi n LYS 35 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1pyi n ARG 36 N -0.68 -0.05 -0.34 1.64 1.85 -1.26 -0.69 116.66 117.13 1pyi n ARG 36 Ca 0.00 0.85 0.09 0.00 -1.00 0.00 0.00 57.85 57.79 1pyi n ARG 36 Cb 0.00 -1.27 0.26 0.00 -1.05 0.00 0.00 32.46 30.40 1pyi n ARG 36 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1pyi h ARG 38 N 0.82 1.28 0.01 0.00 2.43 0.19 0.52 114.38 119.62 1pyi h ARG 38 Ca 0.51 -0.13 -0.20 0.00 -0.81 0.00 0.00 59.98 59.35 1pyi h ARG 38 Cb 0.65 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1pyi h ARG 38 CO -0.32 0.91 -0.88 -0.07 -1.51 0.00 0.00 179.97 178.10 1pyi h LEU 39 N 1.29 0.24 -0.75 3.80 3.38 -0.28 -2.50 115.31 120.50 1pyi h LEU 39 Ca 0.33 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1pyi h LEU 39 Cb -0.02 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1pyi h LEU 39 CO -0.06 1.00 0.00 0.11 0.09 0.00 0.00 178.44 179.58 1pyi h LYS 40 N 0.10 0.00 -5.45 1.13 6.56 0.83 -3.46 116.57 116.27 1pyi h LYS 40 Ca -0.04 0.00 -0.30 0.00 -1.06 0.00 0.00 60.65 59.25 1pyi h LYS 40 Cb 1.51 0.00 0.17 0.00 -0.57 0.00 0.00 32.23 33.34 1pyi h LYS 40 CO 0.13 0.00 -0.75 1.63 -2.06 0.00 0.00 179.45 178.41 1pyi n LYS 41 N -2.35 -5.58 -3.86 3.15 5.02 0.17 -5.01 118.16 109.69 1pyi n LYS 41 Ca 0.02 0.81 -0.11 0.00 -2.02 0.00 0.00 58.31 57.01 1pyi n LYS 41 Cb 0.26 -5.69 -0.09 0.00 -0.02 0.00 0.00 35.03 29.48 1pyi n LYS 41 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1pyi s ILE 42 N -3.35 0.09 0.18 -0.18 -4.36 -1.08 -5.05 121.20 107.45 1pyi s ILE 42 Ca 0.08 -0.76 -0.33 0.00 -0.26 0.00 0.00 60.65 59.38 1pyi s ILE 42 Cb -0.01 -0.62 -0.13 0.00 1.25 0.00 0.00 42.46 42.95 1pyi s ILE 42 CO 0.70 -0.42 1.65 1.17 0.24 0.00 0.00 174.94 178.28 1pyi n LYS 43 N 1.16 2.42 -3.62 0.37 4.81 -1.26 -4.71 118.16 117.33 1pyi n LYS 43 Ca -0.21 0.87 -0.40 0.00 -0.87 0.00 0.00 58.31 57.70 1pyi n LYS 43 Cb 0.57 -2.68 -0.11 0.00 0.02 0.00 0.00 35.03 32.83 1pyi n LYS 43 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pyi n ASP 45 N 4.95 0.00 -3.91 0.00 5.75 -1.26 -4.34 116.55 117.74 1pyi n ASP 45 Ca -0.12 0.00 -0.36 0.00 -0.01 0.00 0.00 54.79 54.31 1pyi n ASP 45 Cb 0.45 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.55 1pyi n ASP 45 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pyi n GLN 46 N -0.57 -0.87 -4.41 0.11 3.00 -1.26 -4.84 117.38 108.53 1pyi n GLN 46 Ca 0.00 0.42 -0.25 0.00 -0.01 0.00 0.00 57.00 57.16 1pyi n GLN 46 Cb 0.00 -2.58 -0.13 0.00 0.00 0.00 0.00 30.24 27.53 1pyi n GLN 46 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1pyi s GLU 47 N -6.20 1.25 -0.19 -1.09 0.41 -1.26 -4.89 118.70 106.73 1pyi s GLU 47 Ca 0.27 -1.13 -0.13 0.00 -0.41 0.00 0.00 54.97 53.58 1pyi s GLU 47 Cb -0.15 -1.51 -0.05 0.00 -1.78 0.00 0.00 34.13 30.65 1pyi s GLU 47 CO 0.93 0.36 0.26 0.12 -0.49 0.00 0.00 175.26 176.44 1pyi s PHE 48 N -1.04 3.40 -0.24 1.61 5.36 -1.26 -0.15 117.98 125.66 1pyi s PHE 48 Ca 0.08 0.47 0.14 0.00 -0.96 0.00 0.00 56.93 56.66 1pyi s PHE 48 Cb -0.10 -2.33 0.74 0.00 -0.34 0.00 0.00 43.02 41.00 1pyi s PHE 48 CO 0.04 0.16 1.69 -2.30 -1.46 0.00 0.00 175.22 173.35 1pyi n PRO 49 N 3.89 4.23 -3.18 10.12 -0.02 -1.26 -4.99 135.00 143.78 1pyi n PRO 49 Ca -0.13 -3.09 0.05 0.00 -2.02 0.00 0.00 63.50 58.31 1pyi n PRO 49 Cb 0.52 -2.16 -0.02 0.00 -0.02 0.00 0.00 33.50 31.82 1pyi n PRO 49 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1pyi s SER 50 N -1.12 -0.72 0.27 2.55 0.01 0.78 -4.84 113.70 110.63 1pyi s SER 50 Ca 0.52 0.51 -0.29 0.00 1.31 0.00 0.00 55.95 58.00 1pyi s SER 50 Cb 0.41 1.62 -0.14 0.00 0.21 0.00 0.00 66.02 68.12 1pyi s SER 50 CO 0.14 -0.13 1.03 0.00 0.41 0.00 0.00 173.24 174.68 1pyi n LYS 52 N 0.92 -0.07 0.16 0.00 4.81 -1.26 -1.21 118.16 121.50 1pyi n LYS 52 Ca 0.11 1.35 -0.16 0.00 -0.87 0.00 0.00 58.31 58.74 1pyi n LYS 52 Cb 0.31 -2.28 -0.09 0.00 0.02 0.00 0.00 35.03 32.98 1pyi n LYS 52 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 1pyi h ARG 53 N 0.00 -0.76 0.00 1.64 2.43 -1.97 0.32 114.38 116.04 1pyi h ARG 53 Ca 0.68 0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.90 1pyi h ARG 53 Cb 1.62 0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 31.34 1pyi h ARG 53 CO -0.81 -0.51 -0.01 0.00 -1.51 0.00 0.00 179.97 177.14 1pyi h ALA 55 N 1.99 -0.54 -0.26 0.00 0.00 -0.46 0.16 119.26 120.16 1pyi h ALA 55 Ca -0.00 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.75 1pyi h ALA 55 Cb 0.01 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1pyi h ALA 55 CO 0.00 -0.65 -0.23 0.87 0.00 0.00 0.00 179.25 179.24 1pyi h LYS 56 N -0.83 -0.09 0.00 0.00 1.57 0.07 0.46 116.57 117.74 1pyi h LYS 56 Ca -0.05 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1pyi h LYS 56 Cb 0.54 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1pyi h LYS 56 CO 0.09 -0.06 0.00 -0.11 -0.57 0.00 0.00 179.45 178.80 1pyi n LEU 57 N -3.82 0.00 -2.35 2.94 0.00 -1.05 -4.85 117.00 107.87 1pyi n LEU 57 Ca -0.01 0.49 -0.17 0.00 0.00 0.00 0.00 56.01 56.33 1pyi n LEU 57 Cb 0.12 -0.49 0.03 0.00 0.00 0.00 0.00 43.42 43.08 1pyi n LEU 57 CO -0.02 -0.33 -0.00 -0.62 0.00 0.00 0.00 177.39 176.41 1pyi n GLU 58 N -1.49 -3.72 -4.12 1.96 1.02 0.16 -4.99 120.64 109.45 1pyi n GLU 58 Ca 0.02 0.70 -0.34 0.00 -0.02 0.00 0.00 57.16 57.52 1pyi n GLU 58 Cb 0.11 -5.12 -0.11 0.00 -0.02 0.00 0.00 31.44 26.30 1pyi n GLU 58 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1pyi s VAL 59 N -3.02 4.39 0.37 2.62 0.11 -0.76 -5.04 120.40 119.07 1pyi s VAL 59 Ca 0.23 -0.17 -0.25 0.00 -2.93 0.00 0.00 61.98 58.85 1pyi s VAL 59 Cb -0.10 -2.97 -0.12 0.00 -1.53 0.00 0.00 36.38 31.66 1pyi s VAL 59 CO 0.28 0.46 0.91 -0.81 -3.33 0.00 0.00 175.10 172.61 1pyi n PRO 60 N 3.72 1.17 -3.81 1.54 -0.04 -1.26 -4.57 135.00 131.75 1pyi n PRO 60 Ca -0.17 0.42 -0.36 0.00 -0.04 0.00 0.00 63.50 63.35 1pyi n PRO 60 Cb 0.52 -1.85 -0.13 0.00 -0.04 0.00 0.00 33.50 32.00 1pyi n PRO 60 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pyi s VAL 62 N 1.52 1.27 0.71 0.00 -7.23 -1.26 -4.61 120.40 110.80 1pyi s VAL 62 Ca 0.05 -2.09 -0.00 0.00 -1.81 0.00 0.00 61.98 58.12 1pyi s VAL 62 Cb -0.16 -1.90 0.14 0.00 0.56 0.00 0.00 36.38 35.03 1pyi s VAL 62 CO 0.01 -0.71 0.98 -0.24 -0.31 0.00 0.00 175.10 174.82 1pyi n SER 63 N -0.24 1.29 -3.80 4.85 2.88 0.40 -1.67 113.62 117.33 1pyi n SER 63 Ca -0.10 -2.09 -0.18 0.00 -1.33 0.00 0.00 58.87 55.17 1pyi n SER 63 Cb 0.61 -0.63 -0.16 0.00 -0.75 0.00 0.00 64.21 63.27 1pyi n SER 63 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1pyi s LEU 64 N 0.00 1.00 -0.53 2.46 2.96 -1.25 -1.04 118.68 122.28 1pyi s LEU 64 Ca 0.64 -0.02 -0.28 0.00 -0.22 0.00 0.00 54.13 54.26 1pyi s LEU 64 Cb -0.04 -0.22 0.00 0.00 0.50 0.00 0.00 46.19 46.43 1pyi s LEU 64 CO 0.43 -0.13 1.53 -0.62 -1.32 0.00 0.00 176.35 176.24 1pyi s ASP 65 N 1.23 5.99 0.31 3.68 -1.08 -1.08 -4.93 116.67 120.80 1pyi s ASP 65 Ca -0.07 0.46 -0.00 0.00 -0.52 0.00 0.00 52.55 52.42 1pyi s ASP 65 Cb -0.13 -2.54 0.49 0.00 -1.46 0.00 0.00 42.92 39.28 1pyi s ASP 65 CO -0.02 -1.79 1.95 1.55 0.52 0.00 0.00 175.17 177.38 1pyi h PRO 66 N 11.84 0.94 0.43 4.34 0.13 -1.94 0.87 132.00 148.62 1pyi h PRO 66 Ca -0.28 -0.09 -0.02 0.00 -0.87 0.00 0.00 66.00 64.75 1pyi h PRO 66 Cb 1.11 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1pyi h PRO 66 CO 1.16 0.67 -0.21 0.00 -0.23 0.00 0.00 178.00 179.39 1pyi h ALA 67 N 1.49 -0.58 0.08 -0.56 0.00 -1.99 -3.36 119.26 114.33 1pyi h ALA 67 Ca 0.25 -0.19 -0.26 0.00 0.00 0.00 0.00 54.91 54.71 1pyi h ALA 67 Cb -0.01 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1pyi h ALA 67 CO -0.04 -0.65 -1.25 1.79 0.00 0.00 0.00 179.25 179.09 1pyi h THR 68 N -0.94 1.46 0.00 0.00 1.35 -1.96 -3.48 112.91 109.35 1pyi h THR 68 Ca -0.06 -3.10 0.00 0.00 -0.55 0.00 0.00 66.41 62.70 1pyi h THR 68 Cb 0.57 2.85 0.00 0.00 -1.73 0.00 0.00 68.15 69.84 1pyi h THR 68 CO 0.10 0.88 0.00 0.61 -0.25 0.00 0.00 175.52 176.86 1pyi n GLY 69 N 1.51 1.26 3.80 5.82 0.00 0.30 -5.04 105.19 112.83 1pyi n GLY 69 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 1pyi n GLY 69 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pyi s LYS 70 N -0.20 3.40 0.66 1.61 2.36 -1.25 -4.74 119.74 121.58 1pyi s LYS 70 Ca 0.00 1.28 -0.14 0.00 -2.55 0.00 0.00 55.97 54.56 1pyi s LYS 70 Cb 0.00 -2.04 -0.00 0.00 -1.05 0.00 0.00 37.83 34.74 1pyi s LYS 70 CO 0.00 -0.76 1.08 -0.51 1.55 0.00 0.00 175.35 176.71 1pyi s ASP 71 N -2.53 5.32 -0.26 1.43 1.01 -1.26 -2.62 116.67 117.76 1pyi s ASP 71 Ca 0.65 1.81 -0.26 0.00 0.71 0.00 0.00 52.55 55.46 1pyi s ASP 71 Cb -0.17 -2.53 0.13 0.00 1.01 0.00 0.00 42.92 41.37 1pyi s ASP 71 CO 0.33 -1.48 1.08 -0.69 0.21 0.00 0.00 175.17 174.62 1pyi s VAL 72 N -2.64 0.00 0.30 -1.27 1.01 -0.21 -4.85 120.40 112.75 1pyi s VAL 72 Ca 0.63 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 62.32 1pyi s VAL 72 Cb -0.17 -1.00 -0.10 0.00 0.00 0.00 0.00 36.38 35.11 1pyi s VAL 72 CO 0.45 0.00 1.22 -2.16 0.00 0.00 0.00 175.10 174.62 1pyi s PRO 73 N -0.09 4.47 0.58 2.72 0.05 -1.26 0.15 135.00 141.63 1pyi s PRO 73 Ca 0.03 2.04 0.33 0.00 0.05 0.00 0.00 61.00 63.45 1pyi s PRO 73 Cb -0.04 -3.13 1.34 0.00 0.05 0.00 0.00 34.50 32.72 1pyi s PRO 73 CO -0.06 -0.03 1.63 0.00 0.05 0.00 0.00 177.00 178.59 1pyi h ARG 74 N 3.69 0.00 -1.82 4.56 2.47 -1.86 -3.35 114.38 118.07 1pyi h ARG 74 Ca -0.48 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.04 1pyi h ARG 74 Cb 1.22 0.00 -0.30 0.00 -1.65 0.00 0.00 29.97 29.24 1pyi h ARG 74 CO 0.67 0.00 -0.54 0.45 0.56 0.00 0.00 179.97 181.11 1pyi s SER 75 N -4.42 0.56 0.05 7.04 0.15 -1.26 -4.92 113.70 110.90 1pyi s SER 75 Ca -0.04 -0.31 -0.10 0.00 0.70 0.00 0.00 55.95 56.21 1pyi s SER 75 Cb 0.18 1.01 -0.02 0.00 -1.71 0.00 0.00 66.02 65.48 1pyi s SER 75 CO 0.62 -0.35 1.17 0.22 1.20 0.00 0.00 173.24 176.10 1pyi h TYR 76 N 8.18 -0.60 -0.99 3.44 3.20 -1.99 0.74 116.97 128.96 1pyi h TYR 76 Ca -0.12 0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.82 1pyi h TYR 76 Cb 1.12 0.30 -0.05 0.00 1.54 0.00 0.00 36.73 39.64 1pyi h TYR 76 CO 0.24 -0.12 0.65 -0.39 -1.64 0.00 0.00 178.16 176.90 1pyi h VAL 77 N -0.00 1.21 -0.10 1.81 -1.51 -1.97 1.67 116.25 117.37 1pyi h VAL 77 Ca 0.05 -0.44 0.03 0.00 -1.23 0.00 0.00 66.70 65.10 1pyi h VAL 77 Cb 0.13 -0.19 -0.00 0.00 -2.13 0.00 0.00 31.29 29.09 1pyi h VAL 77 CO -0.29 0.24 0.08 0.15 -1.23 0.00 0.00 177.57 176.52 1pyi h PHE 78 N 1.29 0.00 0.00 5.19 3.57 -1.00 0.18 116.94 126.17 1pyi h PHE 78 Ca 0.38 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.69 1pyi h PHE 78 Cb -0.08 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 1pyi h PHE 78 CO -0.00 0.00 -0.93 0.35 -2.23 0.00 0.00 178.31 175.49 1pyi h PHE 79 N 0.00 0.00 0.22 0.41 3.04 0.83 -2.62 116.94 118.82 1pyi h PHE 79 Ca 0.05 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.99 1pyi h PHE 79 Cb 0.22 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.73 1pyi h PHE 79 CO 0.00 0.87 -0.10 -0.07 -2.02 0.00 0.00 178.31 176.99 1pyi h LEU 80 N 0.00 -0.25 -1.70 0.59 3.38 0.12 0.12 115.31 117.58 1pyi h LEU 80 Ca -0.03 -0.18 0.38 0.00 0.09 0.00 0.00 57.88 58.15 1pyi h LEU 80 Cb 1.69 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 42.42 1pyi h LEU 80 CO 0.11 0.27 0.90 -0.33 0.09 0.00 0.00 178.44 179.48 1pyi h GLU 81 N -1.00 0.11 0.01 1.13 5.08 -0.79 1.34 114.58 120.45 1pyi h GLU 81 Ca -0.03 -0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 58.10 1pyi h GLU 81 Cb 0.41 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 29.65 1pyi h GLU 81 CO 0.05 0.07 -0.88 0.22 -1.00 0.00 0.00 179.01 177.47 1pyi h ASP 82 N 0.12 0.76 0.83 1.42 3.58 -1.32 -2.92 116.42 118.89 1pyi h ASP 82 Ca 0.69 -0.75 -0.04 0.00 0.42 0.00 0.00 57.03 57.35 1pyi h ASP 82 Cb 2.39 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 43.21 1pyi h ASP 82 CO -0.18 1.42 -0.48 -0.09 -2.88 0.00 0.00 179.24 177.03 1pyi h ARG 83 N 0.19 -1.18 -0.86 0.28 9.65 0.45 -2.61 114.38 120.29 1pyi h ARG 83 Ca -0.11 0.08 0.19 0.00 -1.10 0.00 0.00 59.98 59.04 1pyi h ARG 83 Cb 1.56 0.27 -0.06 0.00 -1.39 0.00 0.00 29.97 30.35 1pyi h ARG 83 CO 0.17 -0.78 0.58 -0.07 2.80 0.00 0.00 179.97 182.66 1pyi h LEU 84 N -1.22 0.39 0.50 3.80 3.38 -1.26 -0.58 115.31 120.31 1pyi h LEU 84 Ca -0.11 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1pyi h LEU 84 Cb 0.97 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1pyi h LEU 84 CO 0.13 0.17 -0.35 0.00 0.09 0.00 0.00 178.44 178.48 1pyi h ALA 85 N 1.62 -0.85 -0.76 1.53 0.00 -1.26 0.33 119.26 119.86 1pyi h ALA 85 Ca 0.44 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.26 1pyi h ALA 85 Cb 1.11 0.46 -0.06 0.00 0.00 0.00 0.00 17.79 19.30 1pyi h ALA 85 CO -0.16 -1.00 0.45 0.28 0.00 0.00 0.00 179.25 178.82 1pyi h VAL 86 N -0.83 0.99 -0.41 0.00 2.07 -1.32 0.32 116.25 117.07 1pyi h VAL 86 Ca -0.05 -0.28 0.08 0.00 0.82 0.00 0.00 66.70 67.26 1pyi h VAL 86 Cb 0.70 0.11 -0.07 0.00 -1.52 0.00 0.00 31.29 30.51 1pyi h VAL 86 CO 0.03 0.15 0.00 0.24 0.02 0.00 0.00 177.57 178.01 1pyi h MET 87 N 0.81 0.11 0.15 1.57 2.07 -0.86 -0.88 114.93 117.89 1pyi h MET 87 Ca 0.34 -0.01 -0.00 0.00 -2.07 0.00 0.00 59.70 57.96 1pyi h MET 87 Cb 0.20 -0.02 -0.00 0.00 -1.87 0.00 0.00 31.60 29.90 1pyi h MET 87 CO -0.18 0.07 -0.09 0.52 1.07 0.00 0.00 176.91 178.29 1pyi h MET 88 N 0.11 -0.23 -0.93 1.72 2.07 0.31 1.00 114.93 118.98 1pyi h MET 88 Ca 0.20 0.02 0.13 0.00 -2.07 0.00 0.00 59.70 57.98 1pyi h MET 88 Cb 0.29 0.05 -0.09 0.00 -1.87 0.00 0.00 31.60 29.98 1pyi h MET 88 CO -0.34 -0.15 0.55 0.00 1.07 0.00 0.00 176.91 178.05 1pyi h ARG 89 N -0.23 0.81 -0.22 1.72 3.08 -0.24 0.25 114.38 119.55 1pyi h ARG 89 Ca -0.01 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1pyi h ARG 89 Cb 0.20 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1pyi h ARG 89 CO 0.01 0.54 0.01 0.28 -1.07 0.00 0.00 179.97 179.73 1pyi h VAL 90 N 0.83 1.25 -0.54 2.04 2.07 -0.62 -2.33 116.25 118.95 1pyi h VAL 90 Ca 0.48 -0.85 0.08 0.00 0.82 0.00 0.00 66.70 67.23 1pyi h VAL 90 Cb 0.57 1.39 -0.07 0.00 -1.52 0.00 0.00 31.29 31.66 1pyi h VAL 90 CO -0.30 0.26 0.17 -0.07 0.02 0.00 0.00 177.57 177.65 1pyi h LEU 91 N 0.15 0.14 -0.04 2.57 3.38 0.19 -2.08 115.31 119.61 1pyi h LEU 91 Ca 0.06 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.13 1pyi h LEU 91 Cb 0.38 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 1pyi h LEU 91 CO 0.01 0.10 -0.52 0.11 0.09 0.00 0.00 178.44 178.23 1pyi h LYS 92 N 0.34 -0.60 0.00 1.13 1.57 -0.36 0.98 116.57 119.63 1pyi h LYS 92 Ca 0.27 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1pyi h LYS 92 Cb 0.33 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1pyi h LYS 92 CO -0.29 -0.40 0.15 0.39 -0.57 0.00 0.00 179.45 178.73 1pyi n GLU 93 N -5.32 0.00 -0.16 3.15 4.71 -0.82 0.28 120.64 122.48 1pyi n GLU 93 Ca -0.07 0.22 0.06 0.00 -0.01 0.00 0.00 57.16 57.36 1pyi n GLU 93 Cb 0.38 -1.65 0.15 0.00 -1.01 0.00 0.00 31.44 29.30 1pyi n GLU 93 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1pyi n TYR 94 N -1.17 0.42 0.00 -0.32 4.02 0.33 -5.00 117.16 115.44 1pyi n TYR 94 Ca 0.00 -0.41 0.00 0.00 -0.01 0.00 0.00 57.90 57.48 1pyi n TYR 94 Cb 0.15 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.45 1pyi n TYR 94 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1pyi n GLY 95 N 0.63 2.99 0.00 2.72 0.00 0.81 -5.06 105.19 107.28 1pyi n GLY 95 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1pyi n GLY 95 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1pyi n VAL 96 N -2.00 0.00 0.00 1.61 3.14 -1.14 -4.92 118.33 115.02 1pyi n VAL 96 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1pyi n VAL 96 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1pyi n VAL 96 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1pyi n ASP 97 N 0.00 2.71 -4.47 6.55 2.03 -1.26 -4.65 116.55 117.46 1pyi n ASP 97 Ca 0.00 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.88 1pyi n ASP 97 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1pyi n ASP 97 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1pyi n PRO 98 N 0.00 3.29 0.00 -0.67 -0.01 -1.26 -4.95 135.00 131.39 1pyi n PRO 98 Ca 0.00 -3.54 0.03 0.00 -0.01 0.00 0.00 63.50 59.98 1pyi n PRO 98 Cb 0.00 -3.25 0.19 0.00 -0.01 0.00 0.00 33.50 30.44 1pyi n PRO 98 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 175.50 175.74