#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rki s LYS 2 N 0.00 4.41 0.42 3.17 2.20 -1.26 -4.09 119.74 124.59 1rki s LYS 2 Ca 0.00 1.87 0.07 0.00 -0.36 0.00 0.00 55.97 57.56 1rki s LYS 2 Cb 0.00 -3.30 -0.03 0.00 -1.51 0.00 0.00 37.83 32.99 1rki s LYS 2 CO 0.00 -0.27 0.33 0.15 -0.36 0.00 0.00 175.35 175.20 1rki s LYS 3 N 0.81 2.44 -0.24 4.03 -0.14 0.09 -4.89 119.74 121.84 1rki s LYS 3 Ca 0.59 -1.64 -0.01 0.00 -1.36 0.00 0.00 55.97 53.56 1rki s LYS 3 Cb -0.32 -2.26 0.07 0.00 -1.68 0.00 0.00 37.83 33.63 1rki s LYS 3 CO 0.31 -0.19 0.01 -1.01 -0.76 0.00 0.00 175.35 173.70 1rki s HIS 4 N -2.52 1.88 -0.07 3.18 3.76 -0.32 -2.38 115.29 118.83 1rki s HIS 4 Ca 0.46 -1.50 0.05 0.00 -0.15 0.00 0.00 55.06 53.92 1rki s HIS 4 Cb -0.01 -1.47 -0.01 0.00 1.11 0.00 0.00 32.58 32.19 1rki s HIS 4 CO 0.26 -0.74 -0.22 0.42 -0.85 0.00 0.00 174.74 173.61 1rki s ILE 5 N 1.57 2.32 -0.23 0.60 1.01 0.48 -0.77 121.20 126.18 1rki s ILE 5 Ca -0.01 -0.97 -0.06 0.00 0.00 0.00 0.00 60.65 59.61 1rki s ILE 5 Cb -0.18 -1.87 -0.03 0.00 0.01 0.00 0.00 42.46 40.39 1rki s ILE 5 CO -0.10 0.57 0.04 -0.63 0.00 0.00 0.00 174.94 174.82 1rki s ILE 6 N -0.18 4.17 -0.16 2.92 -1.09 -0.27 -0.99 121.20 125.59 1rki s ILE 6 Ca -0.02 -0.23 -0.05 0.00 -2.23 0.00 0.00 60.65 58.12 1rki s ILE 6 Cb -0.14 -2.92 -0.03 0.00 -1.58 0.00 0.00 42.46 37.79 1rki s ILE 6 CO 0.03 0.38 -0.00 -0.63 -1.23 0.00 0.00 174.94 173.50 1rki s ILE 7 N 1.30 4.21 -0.21 2.92 1.01 0.10 -0.52 121.20 130.01 1rki s ILE 7 Ca 0.04 -0.24 -0.07 0.00 0.00 0.00 0.00 60.65 60.37 1rki s ILE 7 Cb -0.15 -2.86 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 1rki s ILE 7 CO 0.02 0.49 0.07 -0.75 0.00 0.00 0.00 174.94 174.78 1rki s LYS 8 N 0.26 3.84 0.00 2.79 2.47 0.13 -1.09 119.74 128.13 1rki s LYS 8 Ca -0.01 -0.40 0.00 0.00 -1.56 0.00 0.00 55.97 54.00 1rki s LYS 8 Cb -0.13 -3.28 0.00 0.00 -1.46 0.00 0.00 37.83 32.96 1rki s LYS 8 CO 0.02 0.06 0.00 0.25 0.16 0.00 0.00 175.35 175.84 1rki n THR 9 N 4.18 0.00 -4.23 3.43 -2.24 0.39 -0.89 114.28 114.91 1rki n THR 9 Ca -0.16 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.34 1rki n THR 9 Cb 0.52 -0.14 -0.09 0.00 -2.10 0.00 0.00 70.33 68.52 1rki n THR 9 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1rki s ILE 10 N 1.38 3.47 0.29 2.28 1.09 -1.25 -4.72 121.20 123.73 1rki s ILE 10 Ca 0.00 -1.39 -0.01 0.00 -1.10 0.00 0.00 60.65 58.14 1rki s ILE 10 Cb 0.00 -2.68 0.19 0.00 -1.06 0.00 0.00 42.46 38.91 1rki s ILE 10 CO 0.00 -0.01 1.88 -0.65 -0.10 0.00 0.00 174.94 176.06 1rki h PRO 11 N 3.16 0.91 0.00 2.79 0.11 -1.92 -0.36 132.00 136.68 1rki h PRO 11 Ca -0.48 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 65.50 1rki h PRO 11 Cb 1.19 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1rki h PRO 11 CO 0.55 0.73 0.00 0.87 -0.21 0.00 0.00 178.00 179.94 1rki h LYS 12 N 0.90 0.00 -0.09 1.05 1.79 -1.97 -2.83 116.57 115.43 1rki h LYS 12 Ca 0.22 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.69 1rki h LYS 12 Cb 0.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1rki h LYS 12 CO -0.02 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 179.98 1rki n LYS 13 N -2.34 1.27 0.22 3.15 4.76 -0.18 -4.77 118.16 120.27 1rki n LYS 13 Ca 0.02 -1.48 0.07 0.00 -2.87 0.00 0.00 58.31 54.05 1rki n LYS 13 Cb 0.25 -1.28 0.50 0.00 -1.84 0.00 0.00 35.03 32.66 1rki n LYS 13 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1rki h GLU 14 N 2.76 0.00 0.00 1.97 4.81 -1.19 -2.74 114.58 120.18 1rki h GLU 14 Ca 0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1rki h GLU 14 Cb 0.62 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 1rki h GLU 14 CO 0.00 0.26 -0.30 1.49 -0.73 0.00 0.00 179.01 179.73 1rki h GLU 15 N 0.00 0.00 -0.27 1.92 4.81 -1.86 -1.37 114.58 117.81 1rki h GLU 15 Ca -0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1rki h GLU 15 Cb 0.54 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 1rki h GLU 15 CO 0.03 0.30 -0.09 0.82 -0.73 0.00 0.00 179.01 179.34 1rki h ILE 16 N 0.00 1.21 0.02 2.32 1.08 -1.85 -1.40 117.51 118.90 1rki h ILE 16 Ca -0.00 -0.91 -0.00 0.00 -0.39 0.00 0.00 64.86 63.56 1rki h ILE 16 Cb 0.90 1.11 0.00 0.00 -3.07 0.00 0.00 36.82 35.76 1rki h ILE 16 CO 0.04 0.30 -0.01 0.40 -0.69 0.00 0.00 178.15 178.19 1rki h ILE 17 N 0.42 1.27 0.00 -0.67 1.08 -1.44 -1.58 117.51 116.58 1rki h ILE 17 Ca 0.08 -1.83 -0.08 0.00 -0.39 0.00 0.00 64.86 62.64 1rki h ILE 17 Cb 0.42 2.34 -0.01 0.00 -3.07 0.00 0.00 36.82 36.50 1rki h ILE 17 CO 0.02 0.41 -0.40 0.77 -0.69 0.00 0.00 178.15 178.26 1rki h SER 18 N -0.95 0.00 0.00 1.72 4.64 -1.29 -2.86 113.55 114.81 1rki h SER 18 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rki h SER 18 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1rki h SER 18 CO 0.00 0.40 -0.32 -1.14 -0.87 0.00 0.00 176.83 174.91 1rki n ARG 19 N -3.77 0.19 -0.01 4.77 0.63 -0.53 -4.32 116.66 113.63 1rki n ARG 19 Ca -0.01 0.14 -0.12 0.00 -0.92 0.00 0.00 57.85 56.94 1rki n ARG 19 Cb 0.48 -0.90 -0.08 0.00 0.45 0.00 0.00 32.46 32.41 1rki n ARG 19 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1rki h ASP 20 N -0.37 0.08 -0.45 6.15 3.32 -1.48 -0.59 116.42 123.08 1rki h ASP 20 Ca 0.00 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.79 1rki h ASP 20 Cb 0.32 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1rki h ASP 20 CO 0.00 0.32 0.26 0.25 -1.72 0.00 0.00 179.24 178.36 1rki h LEU 21 N -0.16 0.55 -0.88 1.55 5.85 -1.13 -0.64 115.31 120.45 1rki h LEU 21 Ca 0.02 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1rki h LEU 21 Cb 0.27 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1rki h LEU 21 CO 0.00 0.45 0.52 0.00 -0.34 0.00 0.00 178.44 179.08 1rki h ASP 23 N 1.21 0.71 0.07 0.00 3.32 -0.79 -0.78 116.42 120.16 1rki h ASP 23 Ca 0.31 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 1rki h ASP 23 Cb -0.04 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.33 1rki h ASP 23 CO -0.06 0.65 -0.04 0.00 -1.72 0.00 0.00 179.24 178.07 1rki h ILE 25 N -0.46 1.22 -0.46 0.00 2.04 -0.90 -2.75 117.51 116.20 1rki h ILE 25 Ca -0.01 -0.97 0.07 0.00 1.00 0.00 0.00 64.86 64.95 1rki h ILE 25 Cb 0.40 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 1rki h ILE 25 CO 0.02 0.31 0.31 0.22 0.00 0.00 0.00 178.15 179.01 1rki h TYR 26 N 0.36 0.34 -0.57 1.37 3.20 -1.12 0.22 116.97 120.77 1rki h TYR 26 Ca 0.07 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.01 1rki h TYR 26 Cb 0.47 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.58 1rki h TYR 26 CO 0.01 0.18 0.27 -0.92 -1.64 0.00 0.00 178.16 176.06 1rki h TYR 27 N 0.33 0.49 0.00 -3.82 3.20 -1.51 -3.08 116.97 112.58 1rki h TYR 27 Ca 0.21 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 1rki h TYR 27 Cb 0.39 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 1rki h TYR 27 CO -0.00 0.21 -0.50 1.88 -1.64 0.00 0.00 178.16 178.11 1rki h TYR 28 N 0.51 0.00 -2.44 -3.82 -1.99 -1.26 -3.44 116.97 104.52 1rki h TYR 28 Ca 0.26 0.00 -0.42 0.00 2.00 0.00 0.00 58.73 60.57 1rki h TYR 28 Cb 0.22 0.00 -0.36 0.00 2.00 0.00 0.00 36.73 38.59 1rki h TYR 28 CO -0.12 0.14 -0.70 0.34 -0.00 0.00 0.00 178.16 177.83 1rki s ASP 29 N -5.98 2.51 0.27 3.88 2.15 -0.09 -5.00 116.67 114.41 1rki s ASP 29 Ca 0.03 -1.00 0.19 0.00 0.43 0.00 0.00 52.55 52.21 1rki s ASP 29 Cb 0.07 0.12 1.00 0.00 -0.30 0.00 0.00 42.92 43.81 1rki s ASP 29 CO 0.73 -0.41 1.59 0.59 -0.17 0.00 0.00 175.17 177.50 1rki n ASN 30 N 5.28 0.50 -0.84 -0.34 3.02 -1.25 -2.30 115.26 119.33 1rki n ASN 30 Ca -0.04 0.71 0.09 0.00 -0.03 0.00 0.00 54.58 55.31 1rki n ASN 30 Cb 0.44 -0.79 0.15 0.00 -0.61 0.00 0.00 39.78 38.98 1rki n ASN 30 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1rki n SER 31 N -2.15 2.93 -4.76 6.41 7.64 -1.26 -5.02 113.62 117.41 1rki n SER 31 Ca -0.01 -1.86 -0.42 0.00 1.01 0.00 0.00 58.87 57.60 1rki n SER 31 Cb 0.07 -0.18 -0.00 0.00 -1.01 0.00 0.00 64.21 63.08 1rki n SER 31 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1rki n VAL 32 N 1.02 1.78 -5.05 0.44 3.14 -0.97 -4.96 118.33 113.73 1rki n VAL 32 Ca 0.14 -0.45 -0.28 0.00 -2.96 0.00 0.00 64.34 60.79 1rki n VAL 32 Cb 0.48 -1.90 -0.16 0.00 -1.06 0.00 0.00 33.84 31.19 1rki n VAL 32 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 1rki s ILE 33 N -0.87 1.72 -0.01 1.55 -1.09 -1.19 -4.99 121.20 116.32 1rki s ILE 33 Ca 0.56 -0.90 0.00 0.00 -2.23 0.00 0.00 60.65 58.09 1rki s ILE 33 Cb -0.50 -1.45 0.01 0.00 -1.58 0.00 0.00 42.46 38.94 1rki s ILE 33 CO 0.60 0.49 -0.00 0.00 -1.23 0.00 0.00 174.94 174.79 1rki s LYS 35 N 0.21 0.19 0.31 0.00 1.02 -0.19 -5.00 119.74 116.27 1rki s LYS 35 Ca -0.02 0.69 -0.29 0.00 0.02 0.00 0.00 55.97 56.37 1rki s LYS 35 Cb -0.03 -0.18 -0.11 0.00 -0.52 0.00 0.00 37.83 36.99 1rki s LYS 35 CO -0.01 -0.36 1.52 -2.14 -0.92 0.00 0.00 175.35 173.44 1rki s PRO 36 N 2.44 4.16 -0.00 -1.68 0.02 -1.26 -0.95 135.00 137.73 1rki s PRO 36 Ca 0.03 2.50 0.01 0.00 0.02 0.00 0.00 61.00 63.56 1rki s PRO 36 Cb -0.13 -3.03 -0.02 0.00 0.02 0.00 0.00 34.50 31.34 1rki s PRO 36 CO -0.10 -0.54 0.04 0.44 -0.33 0.00 0.00 177.00 176.51 1rki n ILE 37 N 1.67 0.00 -3.80 2.83 -5.35 -0.07 -4.89 119.36 109.75 1rki n ILE 37 Ca 0.05 -0.18 -0.08 0.00 -0.27 0.00 0.00 62.75 62.28 1rki n ILE 37 Cb 0.39 0.65 0.03 0.00 -1.74 0.00 0.00 39.64 38.96 1rki n ILE 37 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1rki n GLY 38 N 1.96 0.94 0.32 3.28 0.00 -1.04 -4.98 105.19 105.67 1rki n GLY 38 Ca -0.00 -1.24 0.16 0.00 0.00 0.00 0.00 46.02 44.94 1rki n GLY 38 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rki h PRO 39 N 0.00 0.00 0.00 1.61 0.13 -1.98 -2.87 132.00 128.89 1rki h PRO 39 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1rki h PRO 39 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1rki h PRO 39 CO 0.41 0.00 -0.14 0.43 -0.23 0.00 0.00 178.00 178.47 1rki n SER 40 N -3.90 1.24 -3.99 1.44 7.64 -1.26 -4.37 113.62 110.42 1rki n SER 40 Ca 0.01 -2.22 -0.19 0.00 1.01 0.00 0.00 58.87 57.47 1rki n SER 40 Cb 0.26 -0.21 -0.15 0.00 -1.01 0.00 0.00 64.21 63.11 1rki n SER 40 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1rki s LYS 41 N -1.22 0.83 -0.04 1.43 1.02 -1.08 -0.46 119.74 120.22 1rki s LYS 41 Ca 0.11 -0.27 0.02 0.00 0.02 0.00 0.00 55.97 55.85 1rki s LYS 41 Cb 0.10 -0.79 0.01 0.00 -0.52 0.00 0.00 37.83 36.63 1rki s LYS 41 CO 0.01 0.11 -0.07 0.08 -0.92 0.00 0.00 175.35 174.56 1rki s VAL 42 N 0.15 0.69 -0.07 3.17 1.01 -0.25 -0.89 120.40 124.20 1rki s VAL 42 Ca -0.02 -0.26 -0.19 0.00 0.00 0.00 0.00 61.98 61.50 1rki s VAL 42 Cb -0.07 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 1rki s VAL 42 CO 0.00 0.24 0.54 -0.47 0.00 0.00 0.00 175.10 175.41 1rki s TYR 43 N 0.50 3.59 -0.02 5.22 5.04 -0.13 -0.73 117.35 130.84 1rki s TYR 43 Ca -0.08 1.04 0.02 0.00 -2.44 0.00 0.00 57.07 55.62 1rki s TYR 43 Cb -0.11 -2.58 0.00 0.00 0.35 0.00 0.00 41.96 39.61 1rki s TYR 43 CO 0.01 0.25 -0.08 0.08 -1.34 0.00 0.00 175.55 174.47 1rki s VAL 44 N 0.28 0.66 -0.21 3.14 1.01 -0.16 -1.02 120.40 124.09 1rki s VAL 44 Ca 0.29 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1rki s VAL 44 Cb -0.16 -0.58 0.03 0.00 0.00 0.00 0.00 36.38 35.66 1rki s VAL 44 CO 0.14 0.20 -0.16 -0.94 0.00 0.00 0.00 175.10 174.34 1rki s SER 45 N 0.06 3.59 0.19 3.32 1.04 -0.34 -0.39 113.70 121.16 1rki s SER 45 Ca -0.01 -0.79 -0.23 0.00 0.48 0.00 0.00 55.95 55.40 1rki s SER 45 Cb -0.06 -1.53 0.07 0.00 0.10 0.00 0.00 66.02 64.59 1rki s SER 45 CO -0.00 -0.05 0.97 0.28 0.98 0.00 0.00 173.24 175.42 1rki s THR 46 N 1.27 0.00 0.70 2.02 -1.32 -1.00 -3.16 115.64 114.15 1rki s THR 46 Ca 0.02 -0.67 -0.12 0.00 -1.21 0.00 0.00 61.69 59.71 1rki s THR 46 Cb -0.15 -2.38 0.02 0.00 -1.51 0.00 0.00 72.50 68.48 1rki s THR 46 CO -0.10 0.00 1.08 -0.94 -2.21 0.00 0.00 174.62 172.45 1rki s SER 47 N -3.11 5.12 0.33 8.08 1.04 -1.26 -0.74 113.70 123.16 1rki s SER 47 Ca 0.16 1.77 0.02 0.00 0.48 0.00 0.00 55.95 58.38 1rki s SER 47 Cb -0.02 -2.52 0.56 0.00 0.10 0.00 0.00 66.02 64.14 1rki s SER 47 CO 0.04 -1.62 1.89 -0.07 0.98 0.00 0.00 173.24 174.47 1rki h LEU 48 N -0.57 0.62 -0.43 2.42 3.38 -1.96 -1.33 115.31 117.44 1rki h LEU 48 Ca -0.45 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.42 1rki h LEU 48 Cb 1.22 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1rki h LEU 48 CO 0.55 0.60 0.19 -0.08 0.09 0.00 0.00 178.44 179.79 1rki h GLU 49 N 0.66 0.63 -0.49 1.13 4.81 -1.94 -1.67 114.58 117.70 1rki h GLU 49 Ca 0.15 -0.10 -0.12 0.00 -0.13 0.00 0.00 59.36 59.16 1rki h GLU 49 Cb 0.22 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1rki h GLU 49 CO -0.01 0.56 -0.17 -0.91 -0.73 0.00 0.00 179.01 177.75 1rki h ASN 50 N 0.55 0.99 -0.41 1.04 2.35 -1.90 -2.22 115.58 115.97 1rki h ASN 50 Ca 0.15 -0.35 0.07 0.00 -0.55 0.00 0.00 56.30 55.61 1rki h ASN 50 Cb 0.15 -0.27 -0.06 0.00 0.05 0.00 0.00 38.32 38.19 1rki h ASN 50 CO -0.02 1.13 0.07 0.25 -1.65 0.00 0.00 177.43 177.21 1rki h LEU 51 N 0.85 -0.02 -1.12 1.61 5.85 -1.07 -2.92 115.31 118.49 1rki h LEU 51 Ca 0.12 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.85 1rki h LEU 51 Cb 0.73 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 1rki h LEU 51 CO 0.06 0.02 -0.33 -0.33 -0.34 0.00 0.00 178.44 177.52 1rki h GLU 52 N 0.19 0.00 -0.56 1.25 4.39 -1.11 0.10 114.58 118.85 1rki h GLU 52 Ca 0.20 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.98 1rki h GLU 52 Cb 0.25 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 1rki h GLU 52 CO -0.27 0.33 0.37 0.87 -1.16 0.00 0.00 179.01 179.15 1rki h LYS 53 N 0.00 0.41 0.01 2.33 1.57 -1.20 -2.19 116.57 117.50 1rki h LYS 53 Ca -0.00 -0.02 -0.35 0.00 -1.87 0.00 0.00 60.65 58.40 1rki h LYS 53 Cb 0.78 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.95 1rki h LYS 53 CO 0.04 0.27 -1.91 0.00 -0.57 0.00 0.00 179.45 177.28 1rki h LEU 55 N -0.92 0.00 -1.57 0.00 5.85 -0.78 -2.11 115.31 115.78 1rki h LEU 55 Ca -0.52 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.17 1rki h LEU 55 Cb 1.50 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.52 1rki h LEU 55 CO -0.29 0.07 -0.13 0.06 -0.34 0.00 0.00 178.44 177.81 1rki h GLN 56 N 0.00 0.00 -6.86 1.25 3.07 -1.64 -3.15 115.11 107.78 1rki h GLN 56 Ca -0.00 0.00 -0.51 0.00 0.09 0.00 0.00 58.65 58.23 1rki h GLN 56 Cb 0.37 0.00 0.04 0.00 0.08 0.00 0.00 27.48 27.97 1rki h GLN 56 CO 0.01 0.13 0.53 -0.51 0.09 0.00 0.00 178.83 179.08 1rki s LEU 57 N -6.79 4.42 0.30 0.06 1.43 -0.79 -4.80 118.68 112.51 1rki s LEU 57 Ca -0.01 2.40 -0.00 0.00 -1.03 0.00 0.00 54.13 55.49 1rki s LEU 57 Cb 0.11 -3.74 0.47 0.00 0.03 0.00 0.00 46.19 43.06 1rki s LEU 57 CO 0.59 -0.39 1.89 -0.74 0.23 0.00 0.00 176.35 177.93 1rki h HIS 58 N 3.37 0.85 -0.97 0.29 -0.00 -1.89 -0.89 115.15 115.92 1rki h HIS 58 Ca -0.48 -0.04 0.32 0.00 -0.00 0.00 0.00 60.37 60.17 1rki h HIS 58 Cb 1.22 -0.26 -0.16 0.00 -0.00 0.00 0.00 27.41 28.21 1rki h HIS 58 CO 0.57 0.65 0.40 -0.92 -0.00 0.00 0.00 177.93 178.63 1rki h TYR 59 N 0.84 0.62 0.08 5.26 3.20 -1.93 -1.52 116.97 123.52 1rki h TYR 59 Ca 0.20 0.05 -0.37 0.00 3.14 0.00 0.00 58.73 61.75 1rki h TYR 59 Cb 0.15 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.27 1rki h TYR 59 CO 0.01 -0.30 -2.15 1.19 -1.64 0.00 0.00 178.16 175.27 1rki n PHE 60 N -5.21 0.79 -0.28 -3.82 0.99 -0.63 -4.36 117.46 104.94 1rki n PHE 60 Ca 0.30 0.18 0.08 0.00 -0.00 0.00 0.00 57.45 58.00 1rki n PHE 60 Cb 0.96 -1.10 0.31 0.00 -1.00 0.00 0.00 39.48 38.64 1rki n PHE 60 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 1rki h LYS 61 N -0.02 0.84 0.00 -1.08 3.64 -0.82 -2.36 116.57 116.77 1rki h LYS 61 Ca -0.48 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 58.81 1rki h LYS 61 Cb 1.95 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 33.58 1rki h LYS 61 CO 0.00 0.55 -0.20 -0.22 -2.27 0.00 0.00 179.45 177.32 1rki h LYS 62 N 0.86 0.00 0.00 1.90 3.11 -1.49 -3.01 116.57 117.95 1rki h LYS 62 Ca 0.42 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.26 1rki h LYS 62 Cb 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.68 1rki h LYS 62 CO -0.18 0.20 -0.48 1.28 -2.81 0.00 0.00 179.45 177.45 1rki n LEU 63 N -3.59 0.54 -4.59 5.20 4.77 -0.89 -4.85 117.00 113.59 1rki n LEU 63 Ca -0.01 0.18 -0.40 0.00 -0.03 0.00 0.00 56.01 55.75 1rki n LEU 63 Cb 0.33 -0.25 -0.09 0.00 -2.33 0.00 0.00 43.42 41.08 1rki n LEU 63 CO 0.32 0.02 0.07 -0.69 -1.33 0.00 0.00 177.39 175.79 1rki s VAL 64 N -3.08 5.16 -0.05 4.08 1.01 -1.14 -3.91 120.40 122.47 1rki s VAL 64 Ca 0.09 0.45 -0.23 0.00 0.00 0.00 0.00 61.98 62.29 1rki s VAL 64 Cb 0.16 -3.75 -0.26 0.00 0.00 0.00 0.00 36.38 32.53 1rki s VAL 64 CO 0.69 0.07 0.97 0.11 0.00 0.00 0.00 175.10 176.94 1rki h LYS 65 N 8.26 0.25 -2.36 2.72 1.57 -1.30 -3.49 116.57 122.22 1rki h LYS 65 Ca -0.31 -0.33 0.13 0.00 -1.87 0.00 0.00 60.65 58.27 1rki h LYS 65 Cb 1.16 0.11 -0.12 0.00 0.08 0.00 0.00 32.23 33.46 1rki h LYS 65 CO 0.66 1.08 0.47 0.54 -0.57 0.00 0.00 179.45 181.64 1rki s ASN 66 N -6.63 -0.30 0.02 0.86 4.22 -1.18 -5.03 114.94 106.90 1rki s ASN 66 Ca -0.15 -0.18 0.07 0.00 -2.14 0.00 0.00 52.86 50.46 1rki s ASN 66 Cb 0.01 0.45 -0.02 0.00 1.28 0.00 0.00 41.25 42.97 1rki s ASN 66 CO 0.79 -0.77 -0.20 0.27 -2.04 0.00 0.00 177.10 175.14 1rki s ILE 67 N -3.24 1.63 -0.18 0.54 -4.36 -1.26 -0.70 121.20 113.63 1rki s ILE 67 Ca 0.08 -1.04 -0.01 0.00 -0.26 0.00 0.00 60.65 59.42 1rki s ILE 67 Cb -0.01 -1.39 -0.00 0.00 1.25 0.00 0.00 42.46 42.31 1rki s ILE 67 CO -0.04 0.32 -0.11 -1.61 0.24 0.00 0.00 174.94 173.74 1rki s GLU 68 N -0.84 3.28 -0.21 0.37 2.02 0.33 -4.99 118.70 118.65 1rki s GLU 68 Ca 0.08 -0.70 -0.09 0.00 0.02 0.00 0.00 54.97 54.28 1rki s GLU 68 Cb -0.08 -2.76 -0.04 0.00 0.10 0.00 0.00 34.13 31.34 1rki s GLU 68 CO 0.01 -0.06 0.11 0.42 0.02 0.00 0.00 175.26 175.76 1rki s ILE 69 N 1.04 5.04 0.23 -1.63 1.01 -1.26 -1.12 121.20 124.51 1rki s ILE 69 Ca -0.01 0.06 0.11 0.00 0.00 0.00 0.00 60.65 60.82 1rki s ILE 69 Cb -0.15 -3.31 -0.05 0.00 0.01 0.00 0.00 42.46 38.96 1rki s ILE 69 CO -0.02 0.40 -0.21 -0.36 0.00 0.00 0.00 174.94 174.75 1rki s PHE 70 N 0.75 2.20 -0.07 3.97 0.40 0.05 -4.87 117.98 120.42 1rki s PHE 70 Ca 0.06 -0.37 0.13 0.00 -0.60 0.00 0.00 56.93 56.15 1rki s PHE 70 Cb -0.13 -1.03 -0.23 0.00 0.51 0.00 0.00 43.02 42.14 1rki s PHE 70 CO 0.02 0.57 0.58 -0.25 0.70 0.00 0.00 175.22 176.84 1rki n ASP 71 N -0.16 0.75 -3.82 1.36 8.00 0.46 -1.18 116.55 121.95 1rki n ASP 71 Ca -0.09 0.36 -0.10 0.00 0.71 0.00 0.00 54.79 55.66 1rki n ASP 71 Cb 0.58 0.09 -0.08 0.00 -0.02 0.00 0.00 41.12 41.70 1rki n ASP 71 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1rki s GLU 72 N -2.59 0.77 0.02 -1.24 2.02 -0.94 -4.68 118.70 112.06 1rki s GLU 72 Ca -0.05 -0.69 0.05 0.00 0.02 0.00 0.00 54.97 54.30 1rki s GLU 72 Cb 0.08 0.32 -0.02 0.00 0.10 0.00 0.00 34.13 34.61 1rki s GLU 72 CO 0.83 -0.24 -0.16 0.14 0.02 0.00 0.00 175.26 175.85 1rki s VAL 73 N -2.93 1.25 -0.00 2.63 -7.23 -1.26 -1.34 120.40 111.52 1rki s VAL 73 Ca -0.02 -0.91 -0.09 0.00 -1.81 0.00 0.00 61.98 59.14 1rki s VAL 73 Cb 0.01 -1.09 0.01 0.00 0.56 0.00 0.00 36.38 35.86 1rki s VAL 73 CO -0.06 0.16 0.18 -1.00 -0.31 0.00 0.00 175.10 174.07 1rki s HIS 74 N -0.66 -0.02 -0.86 2.82 3.76 0.04 -4.99 115.29 115.38 1rki s HIS 74 Ca 0.04 -0.03 0.28 0.00 -0.15 0.00 0.00 55.06 55.20 1rki s HIS 74 Cb -0.07 -0.01 1.01 0.00 1.11 0.00 0.00 32.58 34.62 1rki s HIS 74 CO 0.01 -0.31 1.85 0.27 -0.85 0.00 0.00 174.74 175.71 1rki n ASN 75 N 1.44 0.42 -4.12 1.40 2.04 -1.26 -1.07 115.26 114.10 1rki n ASN 75 Ca -0.22 0.53 -0.08 0.00 -0.44 0.00 0.00 54.58 54.36 1rki n ASN 75 Cb 0.56 -0.64 -0.10 0.00 -2.53 0.00 0.00 39.78 37.07 1rki n ASN 75 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 1rki s SER 76 N -3.78 0.70 -0.09 0.53 1.04 -1.26 -4.88 113.70 105.96 1rki s SER 76 Ca 0.12 -1.02 -0.30 0.00 0.48 0.00 0.00 55.95 55.23 1rki s SER 76 Cb 0.16 0.17 -0.04 0.00 0.10 0.00 0.00 66.02 66.41 1rki s SER 76 CO 0.57 -0.57 1.48 -0.75 0.98 0.00 0.00 173.24 174.95 1rki s LYS 77 N -3.90 4.21 0.58 4.02 2.20 -1.26 -4.85 119.74 120.74 1rki s LYS 77 Ca 0.10 1.97 -0.16 0.00 -0.36 0.00 0.00 55.97 57.53 1rki s LYS 77 Cb 0.07 -3.85 -0.04 0.00 -1.51 0.00 0.00 37.83 32.50 1rki s LYS 77 CO -0.07 -0.76 1.05 -1.25 -0.36 0.00 0.00 175.35 173.96 1rki s PRO 78 N 3.63 3.40 -0.67 4.03 0.04 -1.26 -5.02 135.00 139.16 1rki s PRO 78 Ca 0.65 1.17 -0.22 0.00 0.04 0.00 0.00 61.00 62.64 1rki s PRO 78 Cb -0.29 -2.05 0.07 0.00 0.04 0.00 0.00 34.50 32.28 1rki s PRO 78 CO 0.24 -0.74 0.97 1.21 0.04 0.00 0.00 177.00 178.71 1rki s ASN 79 N -2.83 6.19 0.07 6.66 2.47 -1.26 -5.04 114.94 121.20 1rki s ASN 79 Ca 0.63 -1.03 -0.06 0.00 0.42 0.00 0.00 52.86 52.82 1rki s ASN 79 Cb -0.15 -2.42 -0.02 0.00 -1.45 0.00 0.00 41.25 37.22 1rki s ASN 79 CO 0.36 -1.43 0.11 0.00 -3.72 0.00 0.00 177.10 172.42 1rki n ASP 81 N 0.09 0.00 -3.80 0.00 2.03 -1.26 -4.74 116.55 108.87 1rki n ASP 81 Ca -0.15 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.74 1rki n ASP 81 Cb 0.61 -0.32 0.01 0.00 -0.72 0.00 0.00 41.12 40.70 1rki n ASP 81 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1rki n LYS 82 N -2.19 4.59 -3.92 -0.67 4.76 -1.26 -4.88 118.16 114.58 1rki n LYS 82 Ca 0.00 -4.22 -0.10 0.00 -2.87 0.00 0.00 58.31 51.12 1rki n LYS 82 Cb 0.00 -2.60 -0.10 0.00 -1.84 0.00 0.00 35.03 30.49 1rki n LYS 82 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1rki s LEU 84 N -1.50 4.17 -0.18 0.00 2.96 -0.07 -4.95 118.68 119.11 1rki s LEU 84 Ca -0.14 0.23 -0.00 0.00 -0.22 0.00 0.00 54.13 53.99 1rki s LEU 84 Cb -0.08 -2.16 0.01 0.00 0.50 0.00 0.00 46.19 44.46 1rki s LEU 84 CO -0.00 0.10 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.35 1rki s ILE 85 N 0.77 2.53 -0.15 6.68 1.01 -1.26 -0.99 121.20 129.78 1rki s ILE 85 Ca 0.10 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 59.96 1rki s ILE 85 Cb -0.13 -2.09 0.02 0.00 0.01 0.00 0.00 42.46 40.28 1rki s ILE 85 CO 0.02 0.51 -0.17 -0.69 0.00 0.00 0.00 174.94 174.61 1rki s VAL 86 N 1.17 1.74 -0.25 2.92 1.01 -0.37 -4.98 120.40 121.65 1rki s VAL 86 Ca 0.02 -0.75 -0.11 0.00 0.00 0.00 0.00 61.98 61.14 1rki s VAL 86 Cb -0.14 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 1rki s VAL 86 CO -0.06 0.49 0.17 -0.70 0.00 0.00 0.00 175.10 175.00 1rki s GLU 87 N 1.30 4.05 -0.14 2.72 -6.30 -1.26 -0.63 118.70 118.43 1rki s GLU 87 Ca 0.02 -0.27 -0.01 0.00 -2.50 0.00 0.00 54.97 52.22 1rki s GLU 87 Cb -0.13 -3.56 0.04 0.00 0.00 0.00 0.00 34.13 30.47 1rki s GLU 87 CO -0.09 0.01 -0.05 0.42 0.02 0.00 0.00 175.26 175.56 1rki s ILE 88 N 1.21 1.01 -1.56 -3.70 1.01 0.28 -4.87 121.20 114.59 1rki s ILE 88 Ca 0.08 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.27 1rki s ILE 88 Cb -0.14 -1.15 0.00 0.00 0.01 0.00 0.00 42.46 41.18 1rki s ILE 88 CO 0.06 0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.82 1rki n GLY 89 N 4.92 -0.05 1.50 6.18 0.00 -1.26 -1.95 105.19 114.52 1rki n GLY 89 Ca -0.12 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1rki n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rki n GLY 90 N -0.99 0.70 3.27 -0.02 0.00 -1.26 -5.06 105.19 101.83 1rki n GLY 90 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 1rki n GLY 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rki s VAL 91 N -2.29 2.29 -0.28 1.61 1.01 -0.82 -4.82 120.40 117.10 1rki s VAL 91 Ca 0.00 -0.95 -0.14 0.00 0.00 0.00 0.00 61.98 60.89 1rki s VAL 91 Cb 0.00 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1rki s VAL 91 CO 0.00 0.56 0.35 -0.31 0.00 0.00 0.00 175.10 175.69 1rki s TYR 92 N 0.23 3.24 -0.12 5.22 1.51 -0.23 -0.56 117.35 126.64 1rki s TYR 92 Ca -0.14 0.33 -0.09 0.00 -1.01 0.00 0.00 57.07 56.16 1rki s TYR 92 Cb -0.17 -2.56 -0.04 0.00 -0.11 0.00 0.00 41.96 39.08 1rki s TYR 92 CO 0.07 -0.24 0.20 -0.06 -1.11 0.00 0.00 175.55 174.41 1rki s PHE 93 N 2.03 3.58 -0.06 2.71 0.40 0.19 -0.78 117.98 126.05 1rki s PHE 93 Ca 0.14 0.58 0.03 0.00 -0.60 0.00 0.00 56.93 57.07 1rki s PHE 93 Cb -0.16 -2.07 0.01 0.00 0.51 0.00 0.00 43.02 41.31 1rki s PHE 93 CO 0.10 0.61 -0.13 0.08 0.70 0.00 0.00 175.22 176.58 1rki s VAL 94 N -0.68 1.19 -0.05 -0.44 1.01 -0.45 -1.23 120.40 119.75 1rki s VAL 94 Ca 0.15 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.65 1rki s VAL 94 Cb -0.13 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.18 1rki s VAL 94 CO 0.05 0.36 -0.15 -0.60 0.00 0.00 0.00 175.10 174.76 1rki s ARG 95 N 0.55 1.63 -0.07 2.72 6.06 -0.16 -0.40 118.95 129.28 1rki s ARG 95 Ca -0.13 -0.51 -0.03 0.00 -2.50 0.00 0.00 55.73 52.57 1rki s ARG 95 Cb -0.15 -1.41 -0.04 0.00 0.06 0.00 0.00 34.95 33.42 1rki s ARG 95 CO 0.04 0.16 0.05 1.03 -2.50 0.00 0.00 175.30 174.08 1rki s ARG 96 N 0.23 3.10 0.00 5.12 0.52 -1.26 -0.89 118.95 125.77 1rki s ARG 96 Ca -0.07 -0.37 0.08 0.00 -0.52 0.00 0.00 55.73 54.85 1rki s ARG 96 Cb -0.12 -2.90 0.06 0.00 0.52 0.00 0.00 34.95 32.51 1rki s ARG 96 CO 0.02 0.71 0.74 1.33 0.02 0.00 0.00 175.30 178.12