#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pyi n ARG 31 N 0.00 2.11 -4.16 4.33 0.00 -1.26 -4.76 116.66 112.92 1pyi n ARG 31 Ca 0.00 -1.69 -0.34 0.00 -0.00 0.00 0.00 57.85 55.82 1pyi n ARG 31 Cb 0.00 -1.43 -0.14 0.00 0.00 0.00 0.00 32.46 30.89 1pyi n ARG 31 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1pyi s THR 32 N -1.57 3.19 -0.25 5.15 -4.23 -1.26 -5.04 115.64 111.63 1pyi s THR 32 Ca 0.35 -0.57 -0.09 0.00 -1.18 0.00 0.00 61.69 60.20 1pyi s THR 32 Cb 0.19 -2.41 0.11 0.00 1.34 0.00 0.00 72.50 71.73 1pyi s THR 32 CO 0.27 0.46 0.54 0.00 -0.54 0.00 0.00 174.62 175.35 1pyi s ALA 33 N 1.13 -1.59 0.43 3.99 0.00 -1.26 -4.87 121.76 119.58 1pyi s ALA 33 Ca 0.01 1.93 -0.26 0.00 0.00 0.00 0.00 51.96 53.65 1pyi s ALA 33 Cb -0.14 -1.52 -0.09 0.00 0.00 0.00 0.00 23.12 21.36 1pyi s ALA 33 CO -0.02 -0.80 1.34 0.00 0.00 0.00 0.00 175.76 176.28 1pyi n LYS 35 N -0.01 -0.01 0.00 0.00 5.02 -0.22 -0.73 118.16 122.21 1pyi n LYS 35 Ca 0.06 0.99 0.00 0.00 -2.02 0.00 0.00 58.31 57.34 1pyi n LYS 35 Cb 0.40 -2.16 0.00 0.00 -0.02 0.00 0.00 35.03 33.25 1pyi n LYS 35 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1pyi n ARG 36 N -3.92 0.00 -0.28 1.97 0.63 -1.26 -3.29 116.66 110.51 1pyi n ARG 36 Ca 0.38 0.12 -0.03 0.00 -0.92 0.00 0.00 57.85 57.40 1pyi n ARG 36 Cb 1.63 -0.94 -0.00 0.00 0.45 0.00 0.00 32.46 33.59 1pyi n ARG 36 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1pyi h ARG 38 N 0.00 -0.01 0.11 0.00 2.43 -1.54 1.81 114.38 117.18 1pyi h ARG 38 Ca 0.20 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.38 1pyi h ARG 38 Cb 0.38 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.89 1pyi h ARG 38 CO -0.69 -0.00 -0.49 1.25 -1.51 0.00 0.00 179.97 178.52 1pyi h LEU 39 N -0.01 -1.47 -2.10 3.80 6.46 0.51 0.41 115.31 122.91 1pyi h LEU 39 Ca 0.27 0.15 -0.01 0.00 -0.12 0.00 0.00 57.88 58.18 1pyi h LEU 39 Cb 0.42 0.54 -0.00 0.00 -0.73 0.00 0.00 40.66 40.89 1pyi h LEU 39 CO -0.58 -0.52 -0.03 0.11 -0.62 0.00 0.00 178.44 176.80 1pyi h LYS 40 N -0.70 0.00 -4.20 1.25 1.79 -0.78 -3.47 116.57 110.47 1pyi h LYS 40 Ca -0.01 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.30 1pyi h LYS 40 Cb 0.70 0.00 0.10 0.00 -1.58 0.00 0.00 32.23 31.45 1pyi h LYS 40 CO -0.27 0.03 -0.45 1.63 -1.08 0.00 0.00 179.45 179.31 1pyi n LYS 41 N -4.23 -2.52 -4.42 3.15 5.02 0.61 -5.06 118.16 110.71 1pyi n LYS 41 Ca -0.03 0.48 -0.21 0.00 -2.02 0.00 0.00 58.31 56.54 1pyi n LYS 41 Cb 0.12 -4.16 -0.10 0.00 -0.02 0.00 0.00 35.03 30.86 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 -3.21 1.26 -1.06 -0.18 -4.36 -0.80 -5.00 121.20 107.86 1pyi s ILE 42 Ca 0.12 -2.03 -0.18 0.00 -0.26 0.00 0.00 60.65 58.30 1pyi s ILE 42 Cb -0.02 -2.63 0.12 0.00 1.25 0.00 0.00 42.46 41.19 1pyi s ILE 42 CO 0.41 -0.13 1.32 -1.59 0.24 0.00 0.00 174.94 175.19 1pyi s LYS 43 N -3.85 3.77 -0.35 0.37 -2.85 -1.26 -4.65 119.74 110.91 1pyi s LYS 43 Ca 0.33 -1.90 -0.32 0.00 -1.00 0.00 0.00 55.97 53.08 1pyi s LYS 43 Cb 0.07 -5.09 -0.14 0.00 -2.06 0.00 0.00 37.83 30.61 1pyi s LYS 43 CO 0.13 -1.89 1.25 0.00 0.10 0.00 0.00 175.35 174.95 1pyi n ASP 45 N 3.65 5.69 0.00 0.00 8.00 -1.26 -4.93 116.55 127.70 1pyi n ASP 45 Ca 0.28 -3.17 0.00 0.00 0.71 0.00 0.00 54.79 52.61 1pyi n ASP 45 Cb -0.04 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 39.63 1pyi n ASP 45 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1pyi n GLN 46 N 3.15 0.00 -4.55 -1.24 -0.06 -1.26 -3.03 117.38 110.39 1pyi n GLN 46 Ca 0.41 0.00 -0.27 0.00 -2.00 0.00 0.00 57.00 55.14 1pyi n GLN 46 Cb 0.34 0.00 -0.10 0.00 -4.06 0.00 0.00 30.24 26.42 1pyi n GLN 46 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 1pyi s GLU 47 N 0.00 1.90 0.08 3.69 2.02 -1.26 -5.02 118.70 120.11 1pyi s GLU 47 Ca 0.00 -1.99 0.09 0.00 0.02 0.00 0.00 54.97 53.09 1pyi s GLU 47 Cb 0.00 -1.70 -0.03 0.00 0.10 0.00 0.00 34.13 32.50 1pyi s GLU 47 CO 0.00 0.06 -0.25 -0.06 0.02 0.00 0.00 175.26 175.03 1pyi s PHE 48 N -2.64 2.14 -0.55 1.61 0.40 -1.26 -2.84 117.98 114.84 1pyi s PHE 48 Ca 0.34 -0.40 0.04 0.00 -0.60 0.00 0.00 56.93 56.31 1pyi s PHE 48 Cb 0.05 -1.23 0.29 0.00 0.51 0.00 0.00 43.02 42.65 1pyi s PHE 48 CO 0.17 0.20 1.08 -0.35 0.70 0.00 0.00 175.22 177.02 1pyi n PRO 49 N 1.43 2.18 -3.59 0.24 -0.04 -1.26 -5.01 135.00 128.94 1pyi n PRO 49 Ca -0.18 -1.18 -0.11 0.00 -0.04 0.00 0.00 63.50 61.99 1pyi n PRO 49 Cb 0.53 -1.69 -0.06 0.00 -0.04 0.00 0.00 33.50 32.24 1pyi n PRO 49 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1pyi s SER 50 N -0.17 -0.46 0.30 3.54 0.15 -1.13 -3.64 113.70 112.30 1pyi s SER 50 Ca 0.21 0.64 -0.22 0.00 0.70 0.00 0.00 55.95 57.28 1pyi s SER 50 Cb 0.16 0.56 -0.09 0.00 -1.71 0.00 0.00 66.02 64.94 1pyi s SER 50 CO 0.05 -0.32 0.85 0.00 1.20 0.00 0.00 173.24 175.02 1pyi n LYS 52 N 0.36 -0.27 0.14 0.00 4.01 -1.17 -1.81 118.16 119.41 1pyi n LYS 52 Ca 0.01 1.31 -0.13 0.00 -0.51 0.00 0.00 58.31 58.99 1pyi n LYS 52 Cb 0.51 -1.94 -0.07 0.00 -0.51 0.00 0.00 35.03 33.03 1pyi n LYS 52 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1pyi h ARG 53 N 0.00 -0.30 -0.89 1.97 -0.00 -1.94 -2.68 114.38 110.54 1pyi h ARG 53 Ca 0.23 0.02 0.18 0.00 -0.50 0.00 0.00 59.98 59.91 1pyi h ARG 53 Cb 0.45 0.07 -0.17 0.00 0.00 0.00 0.00 29.97 30.32 1pyi h ARG 53 CO -0.83 -0.20 -0.21 0.00 0.00 0.00 0.00 179.97 178.73 1pyi n ALA 55 N -3.44 -0.19 0.13 0.00 0.00 -1.08 0.11 120.51 116.04 1pyi n ALA 55 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.47 1pyi n ALA 55 Cb 0.46 0.24 -0.06 0.00 0.00 0.00 0.00 19.45 20.09 1pyi n ALA 55 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1pyi h LYS 56 N 0.00 -0.52 0.00 0.00 1.57 -0.80 1.20 116.57 118.02 1pyi h LYS 56 Ca 0.00 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1pyi h LYS 56 Cb 0.00 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1pyi h LYS 56 CO 0.00 -0.35 0.23 1.28 -0.57 0.00 0.00 179.45 180.04 1pyi n LEU 57 N -4.25 0.05 0.00 2.94 7.99 0.33 -4.73 117.00 119.32 1pyi n LEU 57 Ca -0.06 0.33 0.00 0.00 -0.01 0.00 0.00 56.01 56.27 1pyi n LEU 57 Cb 0.27 -0.32 0.00 0.00 -0.11 0.00 0.00 43.42 43.26 1pyi n LEU 57 CO 0.13 -0.35 0.00 -0.62 -1.51 0.00 0.00 177.39 175.04 1pyi n GLU 58 N -1.40 0.00 -1.54 3.23 1.02 0.41 -5.00 120.64 117.36 1pyi n GLU 58 Ca -0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 1pyi n GLU 58 Cb 0.23 -0.96 0.13 0.00 -0.02 0.00 0.00 31.44 30.82 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 -2.63 2.05 -0.04 2.62 0.11 0.29 -4.82 120.40 117.98 1pyi s VAL 59 Ca 0.00 0.02 -0.30 0.00 -2.93 0.00 0.00 61.98 58.77 1pyi s VAL 59 Cb 0.00 -2.77 -0.03 0.00 -1.53 0.00 0.00 36.38 32.05 1pyi s VAL 59 CO 0.00 -0.02 1.14 -2.16 -3.33 0.00 0.00 175.10 170.73 1pyi s PRO 60 N -5.28 4.40 -0.58 1.54 0.04 -1.26 -4.28 135.00 129.58 1pyi s PRO 60 Ca 0.64 1.61 -0.19 0.00 0.04 0.00 0.00 61.00 63.09 1pyi s PRO 60 Cb -0.15 -3.51 0.09 0.00 0.04 0.00 0.00 34.50 30.98 1pyi s PRO 60 CO 0.53 -0.35 0.72 0.00 0.04 0.00 0.00 177.00 177.94 1pyi s VAL 62 N 2.81 2.24 -0.10 0.00 0.11 -1.26 -0.08 120.40 124.11 1pyi s VAL 62 Ca 0.13 -0.94 -0.11 0.00 -2.93 0.00 0.00 61.98 58.13 1pyi s VAL 62 Cb -0.23 -1.89 -0.05 0.00 -1.53 0.00 0.00 36.38 32.69 1pyi s VAL 62 CO 0.08 0.55 0.25 -0.94 -3.33 0.00 0.00 175.10 171.70 1pyi s SER 63 N 0.54 6.50 -0.67 3.54 1.04 0.44 -1.05 113.70 124.04 1pyi s SER 63 Ca -0.13 0.60 -0.24 0.00 0.48 0.00 0.00 55.95 56.66 1pyi s SER 63 Cb -0.17 -2.15 0.06 0.00 0.10 0.00 0.00 66.02 63.86 1pyi s SER 63 CO 0.04 0.30 1.04 -0.22 0.98 0.00 0.00 173.24 175.39 1pyi s LEU 64 N -0.60 4.04 -0.29 2.42 0.20 -1.26 -0.21 118.68 122.98 1pyi s LEU 64 Ca 0.17 -0.78 -0.38 0.00 0.69 0.00 0.00 54.13 53.83 1pyi s LEU 64 Cb -0.13 -2.50 -0.14 0.00 -0.43 0.00 0.00 46.19 42.98 1pyi s LEU 64 CO 0.06 -1.52 1.94 -0.67 -0.29 0.00 0.00 176.35 175.87 1pyi n ASP 65 N 8.11 2.37 0.00 3.68 -0.08 0.89 -4.84 116.55 126.68 1pyi n ASP 65 Ca -0.01 0.82 0.00 0.00 -1.51 0.00 0.00 54.79 54.09 1pyi n ASP 65 Cb 0.47 -1.20 0.00 0.00 2.34 0.00 0.00 41.12 42.73 1pyi n ASP 65 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1pyi n PRO 66 N 6.62 0.00 0.00 -0.67 -0.04 -1.26 0.72 135.00 140.37 1pyi n PRO 66 Ca 0.32 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.58 1pyi n PRO 66 Cb 0.18 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 1pyi n PRO 66 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pyi n ALA 67 N -2.46 0.00 0.31 0.55 0.00 -1.26 -2.77 120.51 114.88 1pyi n ALA 67 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1pyi n ALA 67 Cb 0.00 0.07 0.69 0.00 0.00 0.00 0.00 19.45 20.22 1pyi n ALA 67 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1pyi h THR 68 N 0.00 0.00 -0.02 0.00 1.35 -1.99 -3.44 112.91 108.81 1pyi h THR 68 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 1pyi h THR 68 Cb 0.00 0.56 -0.00 0.00 -1.73 0.00 0.00 68.15 66.98 1pyi h THR 68 CO 0.00 0.00 -0.01 0.61 -0.25 0.00 0.00 175.52 175.87 1pyi n GLY 69 N -1.25 0.30 4.00 5.82 0.00 0.22 -5.00 105.19 109.29 1pyi n GLY 69 Ca -0.02 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 1pyi n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pyi s LYS 70 N -1.02 2.87 0.57 1.61 1.02 -1.19 -4.61 119.74 119.00 1pyi s LYS 70 Ca 0.00 -1.13 -0.18 0.00 0.02 0.00 0.00 55.97 54.68 1pyi s LYS 70 Cb 0.00 -2.74 -0.04 0.00 -0.52 0.00 0.00 37.83 34.53 1pyi s LYS 70 CO 0.00 -0.25 1.10 -0.51 -0.92 0.00 0.00 175.35 174.77 1pyi s ASP 71 N -4.32 5.67 -0.29 2.83 1.11 -1.26 -0.08 116.67 120.34 1pyi s ASP 71 Ca 0.53 2.03 0.00 0.00 0.18 0.00 0.00 52.55 55.29 1pyi s ASP 71 Cb -0.10 -2.56 0.14 0.00 1.07 0.00 0.00 42.92 41.47 1pyi s ASP 71 CO 0.33 -1.25 0.34 -0.69 1.18 0.00 0.00 175.17 175.09 1pyi s VAL 72 N -2.06 -0.49 0.11 -1.27 1.01 0.70 -4.79 120.40 113.61 1pyi s VAL 72 Ca 0.69 -0.40 -0.31 0.00 0.00 0.00 0.00 61.98 61.95 1pyi s VAL 72 Cb -0.20 -0.98 -0.11 0.00 0.00 0.00 0.00 36.38 35.09 1pyi s VAL 72 CO 0.31 -0.39 1.86 -2.65 0.00 0.00 0.00 175.10 174.23 1pyi n PRO 73 N 5.33 2.79 0.17 2.72 -0.02 -1.26 -0.42 135.00 144.32 1pyi n PRO 73 Ca -0.01 1.02 0.18 0.00 -2.02 0.00 0.00 63.50 62.66 1pyi n PRO 73 Cb 0.48 -2.92 0.80 0.00 -0.02 0.00 0.00 33.50 31.84 1pyi n PRO 73 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pyi h ARG 74 N 8.86 0.00 -0.17 -0.52 3.08 -0.76 -0.93 114.38 123.94 1pyi h ARG 74 Ca -0.47 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.45 1pyi h ARG 74 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1pyi h ARG 74 CO 0.95 0.00 -0.39 0.66 -1.07 0.00 0.00 179.97 180.12 1pyi h SER 75 N 0.00 0.64 -0.99 7.04 4.64 -1.77 -1.69 113.55 121.42 1pyi h SER 75 Ca 0.11 -0.56 0.19 0.00 -0.47 0.00 0.00 61.79 61.06 1pyi h SER 75 Cb 0.62 -0.18 -0.10 0.00 -0.31 0.00 0.00 62.40 62.43 1pyi h SER 75 CO -0.00 1.08 0.61 0.22 -0.87 0.00 0.00 176.83 177.88 1pyi h TYR 76 N 0.21 0.95 -0.25 4.77 3.20 -1.53 4.26 116.97 128.58 1pyi h TYR 76 Ca 0.00 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.75 1pyi h TYR 76 Cb 0.99 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 1pyi h TYR 76 CO 0.10 0.22 -0.44 0.28 -1.64 0.00 0.00 178.16 176.67 1pyi h VAL 77 N 0.68 1.30 0.07 1.81 2.07 -1.52 -1.39 116.25 119.27 1pyi h VAL 77 Ca 0.56 -1.63 0.02 0.00 0.82 0.00 0.00 66.70 66.48 1pyi h VAL 77 Cb 0.98 1.58 -0.05 0.00 -1.52 0.00 0.00 31.29 32.27 1pyi h VAL 77 CO -0.33 0.52 -0.39 0.15 0.02 0.00 0.00 177.57 177.54 1pyi h PHE 78 N 0.51 -1.08 -0.30 1.57 3.57 0.89 0.40 116.94 122.50 1pyi h PHE 78 Ca 0.04 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.40 1pyi h PHE 78 Cb 0.97 0.47 -0.00 0.00 2.79 0.00 0.00 35.95 40.17 1pyi h PHE 78 CO 0.04 -0.48 -0.47 0.27 -2.23 0.00 0.00 178.31 175.44 1pyi h PHE 79 N -0.59 0.97 -0.05 0.41 -5.15 0.28 0.20 116.94 113.01 1pyi h PHE 79 Ca 0.04 -0.32 0.01 0.00 -0.20 0.00 0.00 57.97 57.50 1pyi h PHE 79 Cb 0.64 -0.19 -0.00 0.00 0.22 0.00 0.00 35.95 36.61 1pyi h PHE 79 CO -0.36 1.11 0.03 1.25 -2.00 0.00 0.00 178.31 178.34 1pyi h LEU 80 N 0.63 0.00 -0.44 2.10 5.85 -0.99 0.22 115.31 122.67 1pyi h LEU 80 Ca 0.03 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.58 1pyi h LEU 80 Cb 1.05 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1pyi h LEU 80 CO 0.10 0.00 -0.71 -0.33 -0.34 0.00 0.00 178.44 177.17 1pyi h GLU 81 N 0.00 0.37 -0.13 1.25 5.08 0.29 -2.95 114.58 118.49 1pyi h GLU 81 Ca 0.02 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1pyi h GLU 81 Cb 0.09 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1pyi h GLU 81 CO -0.00 0.94 0.08 0.22 -1.00 0.00 0.00 179.01 179.25 1pyi h ASP 82 N 0.26 0.14 -0.90 1.42 3.58 0.43 -2.13 116.42 119.22 1pyi h ASP 82 Ca -0.03 -0.00 0.25 0.00 0.42 0.00 0.00 57.03 57.67 1pyi h ASP 82 Cb 1.27 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 42.24 1pyi h ASP 82 CO 0.12 0.10 0.63 -0.09 -2.88 0.00 0.00 179.24 177.13 1pyi h ARG 83 N 0.17 0.09 -0.31 0.28 9.65 -0.62 3.95 114.38 127.60 1pyi h ARG 83 Ca 0.05 -0.01 -0.12 0.00 -1.10 0.00 0.00 59.98 58.80 1pyi h ARG 83 Cb -0.02 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.53 1pyi h ARG 83 CO -0.01 0.06 -0.29 -0.07 2.80 0.00 0.00 179.97 182.45 1pyi h LEU 84 N 0.09 0.66 -0.30 3.80 3.38 -1.23 -2.39 115.31 119.31 1pyi h LEU 84 Ca 0.44 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 58.20 1pyi h LEU 84 Cb 1.59 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 42.12 1pyi h LEU 84 CO -0.05 0.92 0.06 0.00 0.09 0.00 0.00 178.44 179.45 1pyi h ALA 85 N 1.13 0.31 0.29 1.53 0.00 0.79 0.63 119.26 123.93 1pyi h ALA 85 Ca 0.07 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1pyi h ALA 85 Cb 0.78 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1pyi h ALA 85 CO 0.06 -0.35 -0.15 0.28 0.00 0.00 0.00 179.25 179.09 1pyi h VAL 86 N 0.16 0.68 -0.87 0.00 2.07 -1.24 -1.67 116.25 115.39 1pyi h VAL 86 Ca 0.14 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.88 1pyi h VAL 86 Cb 0.15 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 1pyi h VAL 86 CO -0.19 0.00 0.59 0.24 0.02 0.00 0.00 177.57 178.24 1pyi h MET 87 N -0.41 0.23 0.02 1.57 2.07 -0.68 0.14 114.93 117.87 1pyi h MET 87 Ca -0.04 -0.01 -0.23 0.00 -2.07 0.00 0.00 59.70 57.35 1pyi h MET 87 Cb 0.33 -0.05 -0.03 0.00 -1.87 0.00 0.00 31.60 29.98 1pyi h MET 87 CO 0.05 0.15 -1.09 0.52 1.07 0.00 0.00 176.91 177.61 1pyi h MET 88 N 0.24 0.03 0.28 1.72 2.86 0.77 -2.07 114.93 118.76 1pyi h MET 88 Ca 0.44 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 58.01 1pyi h MET 88 Cb 1.33 0.02 0.00 0.00 0.06 0.00 0.00 31.60 33.02 1pyi h MET 88 CO -0.11 0.98 -0.13 -0.09 1.06 0.00 0.00 176.91 178.62 1pyi h ARG 89 N 0.01 -0.36 -0.15 1.72 2.43 0.10 -2.82 114.38 115.32 1pyi h ARG 89 Ca -0.05 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1pyi h ARG 89 Cb 1.82 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 31.43 1pyi h ARG 89 CO 0.13 -0.24 -0.09 0.28 -1.51 0.00 0.00 179.97 178.55 1pyi n VAL 90 N -3.31 -0.10 0.23 0.20 0.31 -0.08 -0.19 118.33 115.39 1pyi n VAL 90 Ca -0.05 1.40 0.14 0.00 -0.01 0.00 0.00 64.34 65.82 1pyi n VAL 90 Cb 0.15 -1.83 0.73 0.00 -0.91 0.00 0.00 33.84 31.98 1pyi n VAL 90 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1pyi h LEU 91 N 0.00 0.00 0.04 7.52 5.85 -1.50 0.24 115.31 127.46 1pyi h LEU 91 Ca 0.02 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.59 1pyi h LEU 91 Cb 0.06 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1pyi h LEU 91 CO -0.14 0.00 -0.77 0.50 -0.34 0.00 0.00 178.44 177.69 1pyi h LYS 92 N 0.00 0.08 -0.18 1.25 3.64 -0.30 0.84 116.57 121.90 1pyi h LYS 92 Ca 0.00 -0.14 0.03 0.00 -1.27 0.00 0.00 60.65 59.27 1pyi h LYS 92 Cb 0.05 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.87 1pyi h LYS 92 CO 0.00 1.07 -0.42 0.93 -2.27 0.00 0.00 179.45 178.76 1pyi h GLU 93 N -0.79 -0.37 0.00 1.90 5.08 0.80 0.46 114.58 121.66 1pyi h GLU 93 Ca -0.19 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1pyi h GLU 93 Cb 1.32 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.65 1pyi h GLU 93 CO -0.04 -0.25 0.00 0.66 -1.00 0.00 0.00 179.01 178.38 1pyi n TYR 94 N -4.73 0.00 -1.15 4.33 4.02 -0.35 -4.67 117.16 114.61 1pyi n TYR 94 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.85 1pyi n TYR 94 Cb 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.60 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 -0.76 0.98 3.34 2.72 0.00 0.16 -5.06 105.19 106.58 1pyi n GLY 95 Ca 0.00 -0.31 -0.19 0.00 0.00 0.00 0.00 46.02 45.51 1pyi n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pyi s VAL 96 N -2.45 0.27 0.00 1.61 1.01 0.29 -4.97 120.40 116.15 1pyi s VAL 96 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 59.98 1pyi s VAL 96 Cb 0.00 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.89 1pyi s VAL 96 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 175.10 174.20 1pyi n ASP 97 N -1.07 0.00 -4.59 3.32 5.75 -1.26 -3.15 116.55 115.56 1pyi n ASP 97 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.37 1pyi n ASP 97 Cb 0.64 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.71 1pyi n ASP 97 CO 0.00 0.00 0.00 -2.84 -0.11 0.00 0.00 177.20 174.25 1pyi s PRO 98 N 1.45 3.47 0.18 0.11 0.02 -1.26 -4.90 135.00 134.08 1pyi s PRO 98 Ca 0.00 0.70 -0.19 0.00 0.02 0.00 0.00 61.00 61.53 1pyi s PRO 98 Cb 0.00 -4.05 -0.08 0.00 0.02 0.00 0.00 34.50 30.39 1pyi s PRO 98 CO 0.00 -1.70 0.67 0.95 -0.33 0.00 0.00 177.00 176.59 1pyi s THR 99 N 5.61 4.64 0.37 0.99 -4.23 -1.26 -5.08 115.64 116.67 1pyi s THR 99 Ca 0.56 1.20 -0.27 0.00 -1.18 0.00 0.00 61.69 62.00 1pyi s THR 99 Cb -0.12 -3.85 -0.09 0.00 1.34 0.00 0.00 72.50 69.78 1pyi s THR 99 CO 0.30 0.27 1.26 -0.75 -0.54 0.00 0.00 174.62 175.16 1pyi s LYS 100 N -1.82 4.19 0.00 3.99 2.20 -1.26 -5.01 119.74 122.03 1pyi s LYS 100 Ca 0.40 2.07 0.00 0.00 -0.36 0.00 0.00 55.97 58.08 1pyi s LYS 100 Cb -0.17 -2.89 0.00 0.00 -1.51 0.00 0.00 37.83 33.26 1pyi s LYS 100 CO 0.21 -0.28 0.00 0.44 -0.36 0.00 0.00 175.35 175.36 1pyi n ILE 101 N 0.46 0.00 0.00 5.43 -5.35 -1.26 -5.15 119.36 113.49 1pyi n ILE 101 Ca 0.02 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.50 1pyi n ILE 101 Cb 0.44 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.34 1pyi n ILE 101 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 1pyi n ARG 102 N 0.00 0.00 -1.32 6.28 0.00 -1.26 -4.98 116.66 115.38 1pyi n ARG 102 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.56 1pyi n ARG 102 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 32.46 32.63 1pyi n ARG 102 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1pyi s GLY 103 N 0.00 1.57 0.21 5.14 0.00 -1.26 -4.14 107.32 108.85 1pyi s GLY 103 Ca 0.00 -0.52 -0.23 0.00 0.00 0.00 0.00 44.72 43.98 1pyi s GLY 103 CO 0.00 0.11 0.74 0.54 0.00 0.00 0.00 173.10 174.50 1pyi s ASN 104 N -3.75 -0.33 -0.12 1.64 2.20 -1.26 -5.01 114.94 108.32 1pyi s ASN 104 Ca 0.66 -0.39 -0.08 0.00 -0.94 0.00 0.00 52.86 52.10 1pyi s ASN 104 Cb -0.16 0.63 -0.03 0.00 -2.00 0.00 0.00 41.25 39.70 1pyi s ASN 104 CO 0.56 -1.13 -0.16 0.00 -2.94 0.00 0.00 177.10 173.42 1pyi n ILE 105 N -0.43 1.15 -3.61 0.54 3.06 -1.26 -5.02 119.36 113.80 1pyi n ILE 105 Ca -0.08 0.26 -0.24 0.00 -2.50 0.00 0.00 62.75 60.19 1pyi n ILE 105 Cb 0.61 -2.22 -0.02 0.00 0.54 0.00 0.00 39.64 38.55 1pyi n ILE 105 CO 0.00 0.00 0.00 -2.84 -2.50 0.00 0.00 176.55 171.21 1pyi s PRO 106 N -2.07 3.49 0.00 9.51 0.02 -1.26 -4.93 135.00 139.75 1pyi s PRO 106 Ca -0.13 -0.43 0.02 0.00 0.02 0.00 0.00 61.00 60.48 1pyi s PRO 106 Cb 0.02 -2.76 0.10 0.00 0.02 0.00 0.00 34.50 31.87 1pyi s PRO 106 CO 0.20 0.29 0.36 0.00 -0.33 0.00 0.00 177.00 177.52 1pyi n ALA 107 N -1.36 1.66 -0.01 -1.55 0.00 -1.26 -1.02 120.51 116.97 1pyi n ALA 107 Ca -0.06 -0.01 0.02 0.00 0.00 0.00 0.00 53.44 53.40 1pyi n ALA 107 Cb 0.56 -1.03 0.05 0.00 0.00 0.00 0.00 19.45 19.03 1pyi n ALA 107 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1pyi n THR 108 N -0.68 0.78 -2.17 0.00 -2.24 -1.26 -5.02 114.28 103.70 1pyi n THR 108 Ca 0.01 -0.89 -0.04 0.00 -2.27 0.00 0.00 64.05 60.87 1pyi n THR 108 Cb 0.01 0.63 0.02 0.00 -2.10 0.00 0.00 70.33 68.89 1pyi n THR 108 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1pyi n SER 109 N -0.00 0.19 -4.96 3.42 7.64 -0.19 -5.10 113.62 114.62 1pyi n SER 109 Ca 0.04 -1.16 -0.22 0.00 1.01 0.00 0.00 58.87 58.54 1pyi n SER 109 Cb 0.28 -0.11 0.03 0.00 -1.01 0.00 0.00 64.21 63.40 1pyi n SER 109 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1pyi s ASP 110 N -1.64 5.39 0.66 6.43 1.01 -1.26 -5.03 116.67 122.24 1pyi s ASP 110 Ca 0.10 0.09 0.04 0.00 0.71 0.00 0.00 52.55 53.50 1pyi s ASP 110 Cb -0.01 -1.05 0.12 0.00 1.01 0.00 0.00 42.92 42.99 1pyi s ASP 110 CO 0.07 -1.06 0.91 1.51 0.21 0.00 0.00 175.17 176.81 1pyi s ASP 111 N -4.38 4.65 0.62 0.27 1.47 -1.26 -4.89 116.67 113.15 1pyi s ASP 111 Ca 0.55 -0.64 -0.12 0.00 1.18 0.00 0.00 52.55 53.52 1pyi s ASP 111 Cb -0.10 0.22 -0.03 0.00 -0.34 0.00 0.00 42.92 42.66 1pyi s ASP 111 CO 0.39 -1.67 1.03 -0.70 0.68 0.00 0.00 175.17 174.90 1pyi s GLU 112 N -4.94 3.47 -0.22 2.11 -6.30 -1.26 -4.99 118.70 106.57 1pyi s GLU 112 Ca 0.65 0.87 -0.04 0.00 -2.50 0.00 0.00 54.97 53.95 1pyi s GLU 112 Cb -0.05 -2.06 0.12 0.00 0.00 0.00 0.00 34.13 32.13 1pyi s GLU 112 CO 0.42 -0.67 0.37 -1.25 0.02 0.00 0.00 175.26 174.15 1pyi s PRO 113 N -4.88 0.32 0.05 4.30 0.05 -1.26 -5.09 135.00 128.49 1pyi s PRO 113 Ca 0.57 0.63 -0.11 0.00 0.05 0.00 0.00 61.00 62.14 1pyi s PRO 113 Cb -0.12 -0.33 -0.06 0.00 0.05 0.00 0.00 34.50 34.04 1pyi s PRO 113 CO 0.49 -0.54 0.24 1.19 0.05 0.00 0.00 177.00 178.43 1pyi n PHE 114 N 5.37 -0.04 0.00 0.56 3.01 -1.26 -2.52 117.46 122.57 1pyi n PHE 114 Ca -0.05 0.34 0.00 0.00 1.01 0.00 0.00 57.45 58.75 1pyi n PHE 114 Cb 0.50 -0.68 0.00 0.00 -0.01 0.00 0.00 39.48 39.29 1pyi n PHE 114 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1pyi n ASP 115 N 0.62 0.00 0.05 4.37 2.03 -1.26 -4.75 116.55 117.61 1pyi n ASP 115 Ca 0.06 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.44 1pyi n ASP 115 Cb 0.07 0.00 0.32 0.00 -0.72 0.00 0.00 41.12 40.78 1pyi n ASP 115 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pyi n LEU 116 N 0.00 0.21 0.00 -2.67 -0.00 -1.05 -5.24 117.00 108.25 1pyi n LEU 116 Ca 0.00 0.56 0.00 0.00 -0.00 0.00 0.00 56.01 56.57 1pyi n LEU 116 Cb 0.00 -0.55 0.00 0.00 -0.00 0.00 0.00 43.42 42.87 1pyi n LEU 116 CO 0.00 -0.44 0.00 1.17 -0.00 0.00 0.00 177.39 178.12