#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c07 s TRP 10 N 0.00 3.76 0.45 -1.42 -0.00 -1.24 -4.09 118.94 116.40 1c07 s TRP 10 Ca 0.00 1.28 0.13 0.00 -0.00 0.00 0.00 56.10 57.50 1c07 s TRP 10 Cb 0.00 -2.58 1.01 0.00 -0.00 0.00 0.00 33.47 31.91 1c07 s TRP 10 CO 0.00 0.47 2.03 -0.39 -0.00 0.00 0.00 176.95 179.07 1c07 h VAL 11 N 3.79 1.10 -2.22 5.86 -1.51 0.84 -3.42 116.25 120.68 1c07 h VAL 11 Ca -0.47 -0.40 -0.49 0.00 -1.23 0.00 0.00 66.70 64.10 1c07 h VAL 11 Cb 1.21 1.07 -0.04 0.00 -2.13 0.00 0.00 31.29 31.40 1c07 h VAL 11 CO 0.66 0.13 -0.49 -0.69 -1.23 0.00 0.00 177.57 175.95 1c07 s VAL 12 N -4.93 4.74 0.00 7.19 1.01 -1.26 -4.91 120.40 122.24 1c07 s VAL 12 Ca -0.05 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 60.69 1c07 s VAL 12 Cb 0.16 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1c07 s VAL 12 CO 0.70 -0.33 0.00 -0.24 0.00 0.00 0.00 175.10 175.24 1c07 n SER 13 N -1.21 0.00 -3.47 3.32 2.88 -1.26 -4.90 113.62 108.98 1c07 n SER 13 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1c07 n SER 13 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1c07 n SER 13 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1c07 n PRO 14 N 0.00 2.02 -0.16 -1.46 -0.04 -1.26 -3.99 135.00 130.11 1c07 n PRO 14 Ca 0.00 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.51 1c07 n PRO 14 Cb 0.00 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 33.56 1c07 n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1c07 n ALA 15 N -3.00 0.17 0.10 0.55 0.00 -1.26 0.22 120.51 117.29 1c07 n ALA 15 Ca 0.00 0.50 -0.16 0.00 0.00 0.00 0.00 53.44 53.78 1c07 n ALA 15 Cb 0.00 -0.33 -0.10 0.00 0.00 0.00 0.00 19.45 19.02 1c07 n ALA 15 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1c07 h GLU 16 N 0.00 -0.70 -0.88 0.00 5.08 -1.97 0.73 114.58 116.85 1c07 h GLU 16 Ca 0.25 0.05 0.16 0.00 -1.00 0.00 0.00 59.36 58.82 1c07 h GLU 16 Cb 0.45 0.16 -0.07 0.00 0.50 0.00 0.00 28.75 29.79 1c07 h GLU 16 CO -0.46 -0.46 0.57 -0.22 -1.00 0.00 0.00 179.01 177.44 1c07 h LYS 17 N -0.72 0.56 0.05 2.33 3.11 -0.36 -0.78 116.57 120.77 1c07 h LYS 17 Ca -0.00 -0.03 -0.00 0.00 -2.81 0.00 0.00 60.65 57.80 1c07 h LYS 17 Cb 0.73 -0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.83 1c07 h LYS 17 CO -0.29 0.37 -0.03 0.00 -2.81 0.00 0.00 179.45 176.70 1c07 h ALA 18 N 1.61 -0.07 -0.60 5.00 0.00 -0.62 1.40 119.26 125.99 1c07 h ALA 18 Ca 0.45 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 55.34 1c07 h ALA 18 Cb 0.86 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1c07 h ALA 18 CO -0.19 -0.35 0.44 -0.22 0.00 0.00 0.00 179.25 178.93 1c07 h LYS 19 N -0.45 0.00 0.03 0.00 3.64 0.16 -0.53 116.57 119.41 1c07 h LYS 19 Ca -0.01 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.10 1c07 h LYS 19 Cb 0.40 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 1c07 h LYS 19 CO 0.01 0.00 -1.48 0.66 -2.27 0.00 0.00 179.45 176.37 1c07 n TYR 20 N -4.29 1.02 -0.26 1.91 4.01 -0.42 -3.08 117.16 116.06 1c07 n TYR 20 Ca 0.11 0.38 0.29 0.00 -0.16 0.00 0.00 57.90 58.53 1c07 n TYR 20 Cb 0.69 -1.11 0.68 0.00 -0.31 0.00 0.00 39.34 39.28 1c07 n TYR 20 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 1c07 h ASP 21 N -0.77 0.12 0.45 7.72 3.58 0.25 1.60 116.42 129.36 1c07 h ASP 21 Ca -0.38 0.02 -0.27 0.00 0.42 0.00 0.00 57.03 56.82 1c07 h ASP 21 Cb 1.48 -0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.54 1c07 h ASP 21 CO -0.16 0.03 -1.17 -0.33 -2.88 0.00 0.00 179.24 174.73 1c07 h GLU 22 N 0.11 0.38 0.04 0.28 5.08 -1.25 -3.30 114.58 115.92 1c07 h GLU 22 Ca 0.51 -0.54 -0.27 0.00 -1.00 0.00 0.00 59.36 58.05 1c07 h GLU 22 Cb 1.82 0.19 0.02 0.00 0.50 0.00 0.00 28.75 31.27 1c07 h GLU 22 CO -0.07 1.22 -1.11 0.82 -1.00 0.00 0.00 179.01 178.87 1c07 h ILE 23 N 0.15 1.30 -1.23 3.13 2.04 0.76 -3.10 117.51 120.56 1c07 h ILE 23 Ca -0.13 -2.36 0.35 0.00 1.00 0.00 0.00 64.86 63.72 1c07 h ILE 23 Cb 1.86 2.50 -0.06 0.00 -0.74 0.00 0.00 36.82 40.38 1c07 h ILE 23 CO 0.20 0.72 0.87 0.15 0.00 0.00 0.00 178.15 180.09 1c07 h PHE 24 N 0.33 0.16 -0.08 1.37 3.57 0.18 3.13 116.94 125.60 1c07 h PHE 24 Ca -0.15 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.27 1c07 h PHE 24 Cb 1.77 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 40.45 1c07 h PHE 24 CO 0.10 -0.00 -0.37 -0.07 -2.23 0.00 0.00 178.31 175.74 1c07 h LEU 25 N 0.08 0.16 0.00 0.59 3.38 -1.63 0.27 115.31 118.16 1c07 h LEU 25 Ca 0.62 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.53 1c07 h LEU 25 Cb 2.27 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.97 1c07 h LEU 25 CO -0.09 0.52 -0.87 1.17 0.09 0.00 0.00 178.44 179.26 1c07 n LYS 26 N -4.07 0.01 -0.07 1.13 4.81 0.91 -4.32 118.16 116.57 1c07 n LYS 26 Ca -0.01 -0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.20 1c07 n LYS 26 Cb 0.43 -1.50 -0.12 0.00 0.02 0.00 0.00 35.03 33.86 1c07 n LYS 26 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1c07 n THR 27 N -1.52 1.62 -0.98 3.15 -1.04 0.56 -4.36 114.28 111.71 1c07 n THR 27 Ca 0.04 -0.26 -0.30 0.00 -2.04 0.00 0.00 64.05 61.50 1c07 n THR 27 Cb 0.34 -1.93 -0.02 0.00 -1.82 0.00 0.00 70.33 66.89 1c07 n THR 27 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1c07 n ASP 28 N -4.10 5.25 0.26 8.00 2.03 0.89 -4.17 116.55 124.72 1c07 n ASP 28 Ca -0.33 -2.46 0.10 0.00 0.52 0.00 0.00 54.79 52.62 1c07 n ASP 28 Cb 0.82 -1.23 0.40 0.00 -0.72 0.00 0.00 41.12 40.39 1c07 n ASP 28 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1c07 h LYS 29 N 6.28 0.00 -0.01 -0.67 6.56 -1.83 1.66 116.57 128.56 1c07 h LYS 29 Ca 0.56 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.15 1c07 h LYS 29 Cb 0.29 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.95 1c07 h LYS 29 CO 1.62 0.00 -0.23 -0.25 -2.06 0.00 0.00 179.45 178.53 1c07 n ASP 30 N -2.80 0.88 -3.89 0.86 9.92 -1.26 -4.94 116.55 115.32 1c07 n ASP 30 Ca 0.02 -0.79 -0.27 0.00 -0.53 0.00 0.00 54.79 53.22 1c07 n ASP 30 Cb 0.79 0.09 0.02 0.00 -0.64 0.00 0.00 41.12 41.38 1c07 n ASP 30 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1c07 n MET 31 N -0.75 -4.77 -0.33 -1.24 2.81 0.57 -4.86 117.12 108.55 1c07 n MET 31 Ca 0.12 0.55 0.08 0.00 -1.81 0.00 0.00 57.70 56.65 1c07 n MET 31 Cb 0.33 -5.21 0.17 0.00 -0.71 0.00 0.00 33.22 27.80 1c07 n MET 31 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1c07 n ASP 32 N -2.91 2.01 -0.75 7.83 5.75 -1.26 -4.93 116.55 122.28 1c07 n ASP 32 Ca -0.11 -3.41 -0.10 0.00 -0.01 0.00 0.00 54.79 51.17 1c07 n ASP 32 Cb 0.59 -0.47 -0.04 0.00 -1.03 0.00 0.00 41.12 40.17 1c07 n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1c07 n GLY 33 N -1.24 0.98 2.86 6.12 0.00 -1.26 -4.90 105.19 107.74 1c07 n GLY 33 Ca 0.17 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 1c07 n GLY 33 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1c07 s PHE 34 N -1.93 -0.80 0.09 1.61 2.19 -1.26 -3.44 117.98 114.44 1c07 s PHE 34 Ca 0.00 0.09 -0.16 0.00 0.33 0.00 0.00 56.93 57.19 1c07 s PHE 34 Cb 0.00 -0.27 -0.07 0.00 -1.31 0.00 0.00 43.02 41.38 1c07 s PHE 34 CO 0.00 -0.97 0.52 0.54 1.83 0.00 0.00 175.22 177.14 1c07 s VAL 35 N 2.41 4.86 0.14 3.12 0.11 -0.25 -4.67 120.40 126.11 1c07 s VAL 35 Ca 0.10 0.96 -0.00 0.00 -2.93 0.00 0.00 61.98 60.10 1c07 s VAL 35 Cb -0.13 -3.79 -0.04 0.00 -1.53 0.00 0.00 36.38 30.89 1c07 s VAL 35 CO -0.29 0.43 0.31 -0.94 -3.33 0.00 0.00 175.10 171.28 1c07 s SER 36 N -1.36 6.39 0.59 3.54 1.04 -1.26 0.19 113.70 122.82 1c07 s SER 36 Ca 0.31 0.34 0.32 0.00 0.48 0.00 0.00 55.95 57.40 1c07 s SER 36 Cb -0.17 -1.99 1.25 0.00 0.10 0.00 0.00 66.02 65.22 1c07 s SER 36 CO 0.18 0.06 1.55 1.23 0.98 0.00 0.00 173.24 177.24 1c07 h GLY 37 N 2.50 0.00 1.04 7.32 0.00 -1.93 0.64 103.07 112.64 1c07 h GLY 37 Ca -0.47 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.78 1c07 h GLY 37 CO 0.71 0.00 0.01 1.41 0.00 0.00 0.00 176.54 178.67 1c07 h LEU 38 N 0.00 0.94 0.06 3.11 3.38 -1.95 0.94 115.31 121.80 1c07 h LEU 38 Ca 0.49 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1c07 h LEU 38 Cb 2.51 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 43.01 1c07 h LEU 38 CO -0.01 1.01 -0.03 -0.33 0.09 0.00 0.00 178.44 179.17 1c07 h GLU 39 N 0.84 -0.08 0.00 1.13 5.08 -0.02 -3.23 114.58 118.30 1c07 h GLU 39 Ca 0.16 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1c07 h GLU 39 Cb 0.52 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1c07 h GLU 39 CO 0.03 0.05 0.00 1.55 -1.00 0.00 0.00 179.01 179.64 1c07 n VAL 40 N -4.82 1.00 0.00 3.13 3.14 -0.86 -3.70 118.33 116.22 1c07 n VAL 40 Ca -0.02 0.69 0.00 0.00 -2.96 0.00 0.00 64.34 62.05 1c07 n VAL 40 Cb 0.08 -1.68 0.00 0.00 -1.06 0.00 0.00 33.84 31.18 1c07 n VAL 40 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1c07 n ARG 41 N -2.28 0.00 -0.32 1.45 0.63 0.33 0.15 116.66 116.62 1c07 n ARG 41 Ca -0.01 0.45 0.21 0.00 -0.92 0.00 0.00 57.85 57.59 1c07 n ARG 41 Cb 0.06 -1.09 0.42 0.00 0.45 0.00 0.00 32.46 32.29 1c07 n ARG 41 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1c07 h GLU 42 N 0.00 0.13 -0.35 -0.14 4.81 -1.77 2.01 114.58 119.27 1c07 h GLU 42 Ca 0.00 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1c07 h GLU 42 Cb 0.00 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.30 1c07 h GLU 42 CO 0.00 0.09 0.07 0.82 -0.73 0.00 0.00 179.01 179.26 1c07 h ILE 43 N 0.14 0.82 -0.15 2.32 2.04 -1.24 0.23 117.51 121.67 1c07 h ILE 43 Ca 0.69 -0.07 -0.21 0.00 1.00 0.00 0.00 64.86 66.27 1c07 h ILE 43 Cb 1.59 0.61 0.01 0.00 -0.74 0.00 0.00 36.82 38.29 1c07 h ILE 43 CO -0.73 0.03 -0.76 0.15 0.00 0.00 0.00 178.15 176.84 1c07 h PHE 44 N 0.19 0.97 0.00 1.37 3.04 1.12 -2.85 116.94 120.78 1c07 h PHE 44 Ca 0.17 -0.42 -0.00 0.00 3.98 0.00 0.00 57.97 61.69 1c07 h PHE 44 Cb 0.19 -0.15 -0.00 0.00 2.56 0.00 0.00 35.95 38.55 1c07 h PHE 44 CO -0.19 1.24 -0.00 -0.07 -2.02 0.00 0.00 178.31 177.27 1c07 h LEU 45 N 0.49 0.00 -0.96 0.59 3.38 0.33 0.21 115.31 119.36 1c07 h LEU 45 Ca -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1c07 h LEU 45 Cb 1.38 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 1c07 h LEU 45 CO 0.15 0.00 -0.01 0.11 0.09 0.00 0.00 178.44 178.79 1c07 h LYS 46 N 0.00 0.00 -0.21 1.13 1.57 -0.31 -3.03 116.57 115.72 1c07 h LYS 46 Ca -0.00 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 1c07 h LYS 46 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1c07 h LYS 46 CO 0.00 0.01 0.28 1.79 -0.57 0.00 0.00 179.45 180.95 1c07 h THR 47 N 0.00 0.34 0.00 -0.16 1.35 -0.67 -3.44 112.91 110.33 1c07 h THR 47 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1c07 h THR 47 Cb 0.68 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 1c07 h THR 47 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1c07 n GLY 48 N -1.38 0.81 3.96 5.82 0.00 -1.15 -4.92 105.19 108.34 1c07 n GLY 48 Ca 0.02 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 1c07 n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1c07 s LEU 49 N 0.00 3.11 0.00 0.99 1.02 -1.26 -5.10 118.68 117.44 1c07 s LEU 49 Ca 0.00 0.07 0.00 0.00 0.02 0.00 0.00 54.13 54.22 1c07 s LEU 49 Cb 0.00 -2.83 0.00 0.00 0.02 0.00 0.00 46.19 43.38 1c07 s LEU 49 CO 0.00 -1.35 0.00 -0.81 0.02 0.00 0.00 176.35 174.21 1c07 n PRO 50 N -2.56 1.10 -0.10 1.29 -0.04 -1.26 -4.96 135.00 128.48 1c07 n PRO 50 Ca 0.09 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.40 1c07 n PRO 50 Cb 0.60 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 34.00 1c07 n PRO 50 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1c07 n SER 51 N 0.00 1.88 0.26 3.54 7.64 -1.26 -4.13 113.62 121.55 1c07 n SER 51 Ca 0.00 0.46 -0.16 0.00 1.01 0.00 0.00 58.87 60.18 1c07 n SER 51 Cb 0.00 -0.86 -0.08 0.00 -1.01 0.00 0.00 64.21 62.26 1c07 n SER 51 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1c07 h THR 52 N -1.00 0.24 -0.96 0.44 2.02 -2.00 -2.43 112.91 109.23 1c07 h THR 52 Ca -0.21 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.23 1c07 h THR 52 Cb 1.02 0.24 -0.18 0.00 -1.74 0.00 0.00 68.15 67.49 1c07 h THR 52 CO -0.13 0.00 0.04 0.25 0.37 0.00 0.00 175.52 176.05 1c07 h LEU 53 N -0.81 -0.43 -0.78 2.58 5.85 -1.98 0.82 115.31 120.56 1c07 h LEU 53 Ca -0.04 0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1c07 h LEU 53 Cb 0.71 0.46 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 1c07 h LEU 53 CO -0.02 -0.33 0.49 -0.07 -0.34 0.00 0.00 178.44 178.17 1c07 h LEU 54 N 0.03 0.92 -0.44 2.25 3.38 -1.60 0.33 115.31 120.18 1c07 h LEU 54 Ca 0.58 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.44 1c07 h LEU 54 Cb 1.18 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1c07 h LEU 54 CO -0.88 0.69 0.04 0.00 0.09 0.00 0.00 178.44 178.37 1c07 h ALA 55 N 1.27 0.58 -0.15 1.53 0.00 0.89 0.11 119.26 123.49 1c07 h ALA 55 Ca 0.28 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1c07 h ALA 55 Cb -0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1c07 h ALA 55 CO -0.06 0.34 -0.18 1.25 0.00 0.00 0.00 179.25 180.60 1c07 h HIS 56 N 0.60 0.26 0.00 0.00 -0.00 -0.30 -1.17 115.15 114.53 1c07 h HIS 56 Ca 0.13 -0.04 -0.11 0.00 -0.00 0.00 0.00 60.37 60.35 1c07 h HIS 56 Cb 0.43 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 27.76 1c07 h HIS 56 CO 0.03 0.42 -0.54 0.82 -0.00 0.00 0.00 177.93 178.67 1c07 h ILE 57 N 0.23 1.17 -0.45 6.26 2.04 0.23 -2.81 117.51 124.18 1c07 h ILE 57 Ca 0.04 -1.99 -0.05 0.00 1.00 0.00 0.00 64.86 63.87 1c07 h ILE 57 Cb 0.46 2.14 -0.02 0.00 -0.74 0.00 0.00 36.82 38.66 1c07 h ILE 57 CO 0.03 0.53 0.10 -0.25 0.00 0.00 0.00 178.15 178.56 1c07 h TRP 58 N 0.00 0.76 -0.28 1.37 2.91 0.46 -1.68 115.95 119.49 1c07 h TRP 58 Ca -0.01 -0.09 -0.10 0.00 1.13 0.00 0.00 58.89 59.82 1c07 h TRP 58 Cb 1.10 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 29.52 1c07 h TRP 58 CO 0.00 0.71 -0.25 0.77 -1.03 0.00 0.00 178.44 178.63 1c07 h SER 59 N 0.60 0.55 0.64 2.65 0.02 -1.42 1.71 113.55 118.29 1c07 h SER 59 Ca 0.14 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 1c07 h SER 59 Cb 0.33 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 1c07 h SER 59 CO 0.00 0.79 -0.12 -0.07 -1.14 0.00 0.00 176.83 176.30 1c07 h LEU 60 N 0.48 0.00 0.00 5.07 3.38 -1.21 -3.11 115.31 119.92 1c07 h LEU 60 Ca 0.07 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.71 1c07 h LEU 60 Cb 0.69 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.38 1c07 h LEU 60 CO 0.05 0.12 -2.25 0.00 0.09 0.00 0.00 178.44 176.45 1c07 n ASP 62 N -2.93 3.49 0.28 0.00 -0.08 0.58 -4.46 116.55 113.43 1c07 n ASP 62 Ca -0.35 -2.13 0.18 0.00 -1.51 0.00 0.00 54.79 50.99 1c07 n ASP 62 Cb 0.99 -0.87 0.95 0.00 2.34 0.00 0.00 41.12 44.53 1c07 n ASP 62 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1c07 h THR 63 N 2.93 0.19 0.00 5.18 1.35 -1.80 0.15 112.91 120.91 1c07 h THR 63 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.11 1c07 h THR 63 Cb 0.50 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 1c07 h THR 63 CO 0.82 0.00 0.12 0.11 -0.25 0.00 0.00 175.52 176.32 1c07 h LYS 64 N 0.00 0.00 -6.78 4.72 1.79 -1.87 -3.45 116.57 110.98 1c07 h LYS 64 Ca 0.04 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.95 1c07 h LYS 64 Cb 0.39 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 30.90 1c07 h LYS 64 CO -0.00 0.00 -0.92 -0.25 -1.08 0.00 0.00 179.45 177.20 1c07 n ASP 65 N -2.40 -0.02 0.00 0.86 9.92 0.04 -4.80 116.55 120.15 1c07 n ASP 65 Ca -0.02 -1.13 0.00 0.00 -0.53 0.00 0.00 54.79 53.11 1c07 n ASP 65 Cb 0.16 -2.37 0.00 0.00 -0.64 0.00 0.00 41.12 38.26 1c07 n ASP 65 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1c07 n GLY 67 N 1.55 1.42 2.59 0.00 0.00 -1.26 -5.09 105.19 104.39 1c07 n GLY 67 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1c07 n GLY 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1c07 n LYS 68 N -0.27 0.90 -3.95 1.61 5.02 -1.26 -4.51 118.16 115.70 1c07 n LYS 68 Ca 0.00 -2.65 -0.34 0.00 -2.02 0.00 0.00 58.31 53.30 1c07 n LYS 68 Cb 0.00 1.03 -0.14 0.00 -0.02 0.00 0.00 35.03 35.90 1c07 n LYS 68 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1c07 s LEU 69 N 0.00 4.07 0.00 -0.35 1.43 0.51 -4.77 118.68 119.56 1c07 s LEU 69 Ca 0.07 -1.53 0.00 0.00 -1.03 0.00 0.00 54.13 51.64 1c07 s LEU 69 Cb 0.00 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.56 1c07 s LEU 69 CO 0.05 -0.29 0.00 -1.20 0.23 0.00 0.00 176.35 175.14 1c07 n SER 70 N 4.51 0.00 0.01 2.29 7.64 -1.26 -1.09 113.62 125.72 1c07 n SER 70 Ca -0.10 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.78 1c07 n SER 70 Cb 0.42 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.62 1c07 n SER 70 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1c07 h LYS 71 N 0.00 -0.04 0.28 1.43 3.11 -1.98 -3.31 116.57 116.05 1c07 h LYS 71 Ca 0.00 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.83 1c07 h LYS 71 Cb 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.24 1c07 h LYS 71 CO 0.00 -0.03 -0.13 0.38 -2.81 0.00 0.00 179.45 176.86 1c07 h ASP 72 N -0.20 -0.32 -0.68 4.20 3.04 -1.94 -2.85 116.42 117.67 1c07 h ASP 72 Ca -0.00 0.01 0.20 0.00 -3.24 0.00 0.00 57.03 53.99 1c07 h ASP 72 Cb 0.03 0.08 -0.03 0.00 -1.04 0.00 0.00 39.33 38.38 1c07 h ASP 72 CO 0.01 -0.21 1.14 0.00 -2.04 0.00 0.00 179.24 178.14 1c07 n GLN 73 N -3.09 0.02 -0.03 4.15 -0.00 -1.26 0.22 117.38 117.39 1c07 n GLN 73 Ca -0.05 0.99 -0.14 0.00 -0.00 0.00 0.00 57.00 57.80 1c07 n GLN 73 Cb 0.15 -2.53 -0.03 0.00 -0.00 0.00 0.00 30.24 27.83 1c07 n GLN 73 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.06 177.41 1c07 h PHE 74 N 0.00 0.96 0.00 2.61 3.57 -1.60 -2.42 116.94 120.06 1c07 h PHE 74 Ca 0.32 -0.38 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1c07 h PHE 74 Cb 2.60 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 41.18 1c07 h PHE 74 CO 0.00 1.19 0.00 0.00 -2.23 0.00 0.00 178.31 177.27 1c07 n ALA 75 N -2.57 1.52 -0.02 2.41 0.00 0.59 -2.59 120.51 119.85 1c07 n ALA 75 Ca -0.05 -0.04 -0.21 0.00 0.00 0.00 0.00 53.44 53.14 1c07 n ALA 75 Cb 0.68 -1.17 -0.13 0.00 0.00 0.00 0.00 19.45 18.83 1c07 n ALA 75 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1c07 h LEU 76 N 0.00 0.28 -0.91 0.00 5.85 -1.32 -3.37 115.31 115.84 1c07 h LEU 76 Ca 0.00 -0.82 0.23 0.00 0.84 0.00 0.00 57.88 58.13 1c07 h LEU 76 Cb 0.16 -0.09 -0.17 0.00 0.37 0.00 0.00 40.66 40.93 1c07 h LEU 76 CO 0.00 1.53 -0.01 0.00 -0.34 0.00 0.00 178.44 179.61 1c07 h ALA 77 N -0.11 0.98 0.00 1.25 0.00 -1.44 1.44 119.26 121.38 1c07 h ALA 77 Ca -0.27 0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1c07 h ALA 77 Cb 1.60 0.56 -0.00 0.00 0.00 0.00 0.00 17.79 19.95 1c07 h ALA 77 CO 0.01 -0.49 -0.04 0.74 0.00 0.00 0.00 179.25 179.47 1c07 h PHE 78 N 0.04 0.00 0.00 0.00 -1.00 -1.72 -0.60 116.94 113.67 1c07 h PHE 78 Ca 0.52 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 61.30 1c07 h PHE 78 Cb 1.00 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.56 1c07 h PHE 78 CO -0.51 0.04 -0.01 1.25 -1.61 0.00 0.00 178.31 177.47 1c07 h HIS 79 N 0.00 0.00 0.00 -0.55 2.76 0.19 0.21 115.15 117.75 1c07 h HIS 79 Ca -0.00 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.11 1c07 h HIS 79 Cb 0.10 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.05 1c07 h HIS 79 CO 0.00 0.01 -1.59 1.28 -1.30 0.00 0.00 177.93 176.33 1c07 n LEU 80 N -3.21 0.44 0.11 0.26 4.77 -0.25 -4.06 117.00 115.05 1c07 n LEU 80 Ca -0.02 0.18 -0.05 0.00 -0.03 0.00 0.00 56.01 56.08 1c07 n LEU 80 Cb 0.13 0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.23 1c07 n LEU 80 CO 0.23 -0.00 0.17 0.40 -1.33 0.00 0.00 177.39 176.86 1c07 h ILE 81 N 0.00 0.00 -1.60 -0.08 2.04 -0.82 -3.18 117.51 113.86 1c07 h ILE 81 Ca -0.07 -0.49 0.51 0.00 1.00 0.00 0.00 64.86 65.81 1c07 h ILE 81 Cb 1.20 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.17 1c07 h ILE 81 CO 0.01 0.00 1.09 -0.24 0.00 0.00 0.00 178.15 179.01 1c07 n SER 82 N -4.25 0.12 -0.17 1.72 2.88 -0.49 0.19 113.62 113.61 1c07 n SER 82 Ca -0.04 1.19 0.02 0.00 -1.33 0.00 0.00 58.87 58.71 1c07 n SER 82 Cb 0.13 -0.59 0.29 0.00 -0.75 0.00 0.00 64.21 63.29 1c07 n SER 82 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1c07 h GLN 83 N 0.00 0.87 0.00 -1.46 4.20 -1.69 -1.82 115.11 115.21 1c07 h GLN 83 Ca 0.89 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 59.55 1c07 h GLN 83 Cb 3.18 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 30.76 1c07 h GLN 83 CO -0.27 0.58 -0.82 -0.22 -0.67 0.00 0.00 178.83 177.43 1c07 h LYS 84 N 0.90 0.00 0.00 1.46 1.63 0.26 2.57 116.57 123.38 1c07 h LYS 84 Ca 0.26 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.06 1c07 h LYS 84 Cb -0.05 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.58 1c07 h LYS 84 CO -0.06 0.00 -0.06 -0.07 -3.45 0.00 0.00 179.45 175.81 1c07 h LEU 85 N 0.00 0.00 0.02 5.20 3.38 -0.78 -3.14 115.31 119.99 1c07 h LEU 85 Ca 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 1c07 h LEU 85 Cb 0.83 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.52 1c07 h LEU 85 CO 0.00 0.49 -2.16 -0.38 0.09 0.00 0.00 178.44 176.48 1c07 n ILE 86 N -4.55 1.52 1.18 1.22 2.08 -0.75 -4.24 119.36 115.82 1c07 n ILE 86 Ca -0.01 -0.76 0.12 0.00 0.56 0.00 0.00 62.75 62.66 1c07 n ILE 86 Cb 0.03 -0.97 0.25 0.00 -0.75 0.00 0.00 39.64 38.20 1c07 n ILE 86 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1c07 n LYS 87 N -3.03 1.43 -1.51 0.38 4.76 -1.01 -4.92 118.16 114.27 1c07 n LYS 87 Ca -0.31 -1.03 -0.08 0.00 -2.87 0.00 0.00 58.31 54.02 1c07 n LYS 87 Cb 1.08 -1.48 -0.03 0.00 -1.84 0.00 0.00 35.03 32.77 1c07 n LYS 87 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1c07 n GLY 88 N 1.33 0.50 3.97 0.72 0.00 0.23 -4.78 105.19 107.16 1c07 n GLY 88 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 1c07 n GLY 88 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c07 s ILE 89 N -1.85 2.61 0.47 -0.61 1.01 0.80 -4.76 121.20 118.86 1c07 s ILE 89 Ca 0.00 -0.64 0.08 0.00 0.00 0.00 0.00 60.65 60.09 1c07 s ILE 89 Cb 0.00 -2.98 0.02 0.00 0.01 0.00 0.00 42.46 39.52 1c07 s ILE 89 CO 0.00 0.00 0.56 -1.81 0.00 0.00 0.00 174.94 173.69 1c07 s ASP 90 N -4.45 5.28 0.72 3.58 1.01 -1.26 -2.21 116.67 119.35 1c07 s ASP 90 Ca 0.58 -0.68 -0.12 0.00 0.71 0.00 0.00 52.55 53.05 1c07 s ASP 90 Cb -0.10 -0.32 0.03 0.00 1.01 0.00 0.00 42.92 43.54 1c07 s ASP 90 CO 0.39 -0.90 1.09 -2.16 0.21 0.00 0.00 175.17 173.80 1c07 s PRO 91 N -4.36 2.56 1.12 8.23 0.04 -1.26 -4.88 135.00 136.46 1c07 s PRO 91 Ca 0.53 1.17 -0.16 0.00 0.04 0.00 0.00 61.00 62.58 1c07 s PRO 91 Cb -0.07 -1.93 0.25 0.00 0.04 0.00 0.00 34.50 32.79 1c07 s PRO 91 CO 0.32 -1.41 1.09 -1.25 0.04 0.00 0.00 177.00 175.79 1c07 s PRO 92 N -4.73 -0.58 -0.08 0.56 0.04 -1.26 -4.98 135.00 123.97 1c07 s PRO 92 Ca 0.62 0.26 -0.26 0.00 0.04 0.00 0.00 61.00 61.66 1c07 s PRO 92 Cb -0.17 -1.64 -0.22 0.00 0.04 0.00 0.00 34.50 32.51 1c07 s PRO 92 CO 0.52 -3.36 0.99 0.45 0.04 0.00 0.00 177.00 175.64 1c07 h HIS 93 N -2.33 -0.02 -0.97 0.56 3.86 -1.99 -3.49 115.15 110.76 1c07 h HIS 93 Ca -0.51 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.70 1c07 h HIS 93 Cb 1.32 0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.80 1c07 h HIS 93 CO -0.88 0.67 0.00 1.33 0.86 0.00 0.00 177.93 179.91 1c07 n VAL 94 N -4.76 0.00 -2.05 2.45 0.24 -1.26 -4.97 118.33 107.98 1c07 n VAL 94 Ca -0.09 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 61.93 1c07 n VAL 94 Cb 0.34 0.00 0.16 0.00 -1.47 0.00 0.00 33.84 32.87 1c07 n VAL 94 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1c07 s LEU 95 N 0.00 2.74 0.20 1.34 2.01 -1.26 -4.93 118.68 118.77 1c07 s LEU 95 Ca 0.00 0.24 -0.12 0.00 0.01 0.00 0.00 54.13 54.26 1c07 s LEU 95 Cb 0.00 -2.42 0.00 0.00 0.01 0.00 0.00 46.19 43.78 1c07 s LEU 95 CO 0.00 -2.43 0.41 0.42 1.01 0.00 0.00 176.35 175.76 1c07 s THR 96 N -3.70 0.03 -0.69 5.49 -4.23 -1.26 -4.99 115.64 106.30 1c07 s THR 96 Ca 0.71 -1.24 0.20 0.00 -1.18 0.00 0.00 61.69 60.18 1c07 s THR 96 Cb -0.05 -1.89 0.20 0.00 1.34 0.00 0.00 72.50 72.10 1c07 s THR 96 CO 0.51 -0.15 1.63 -0.81 -0.54 0.00 0.00 174.62 175.25 1c07 n PRO 97 N -0.30 0.12 0.02 3.99 -0.04 -1.26 -0.83 135.00 136.71 1c07 n PRO 97 Ca -0.06 0.34 0.11 0.00 -0.04 0.00 0.00 63.50 63.85 1c07 n PRO 97 Cb 0.63 -1.73 -0.11 0.00 -0.04 0.00 0.00 33.50 32.25 1c07 n PRO 97 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1c07 n GLU 98 N -1.95 0.61 0.00 0.54 1.02 -1.26 -4.11 120.64 115.49 1c07 n GLU 98 Ca 0.03 -0.09 0.10 0.00 -0.02 0.00 0.00 57.16 57.17 1c07 n GLU 98 Cb 0.22 -1.61 -0.04 0.00 -0.02 0.00 0.00 31.44 29.98 1c07 n GLU 98 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1c07 n MET 99 N -2.35 1.04 -2.88 3.49 1.56 -0.78 0.14 117.12 117.33 1c07 n MET 99 Ca -0.02 -0.62 -0.43 0.00 -0.27 0.00 0.00 57.70 56.36 1c07 n MET 99 Cb 0.55 -1.43 -0.05 0.00 2.15 0.00 0.00 33.22 34.45 1c07 n MET 99 CO 0.00 0.00 0.00 0.42 -0.73 0.00 0.00 175.97 175.66 1c07 s ILE 100 N -2.52 4.62 0.21 1.12 1.01 -0.01 -4.82 121.20 120.82 1c07 s ILE 100 Ca 0.14 0.88 0.12 0.00 0.00 0.00 0.00 60.65 61.79 1c07 s ILE 100 Cb 0.16 -4.31 -0.01 0.00 0.01 0.00 0.00 42.46 38.31 1c07 s ILE 100 CO 0.63 -0.59 1.59 1.55 0.00 0.00 0.00 174.94 178.11 1c07 h PRO 101 N 8.68 0.00 -7.49 2.79 0.13 -1.90 -3.45 132.00 130.76 1c07 h PRO 101 Ca -0.24 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.43 1c07 h PRO 101 Cb 1.08 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.35 1c07 h PRO 101 CO 0.96 0.62 0.29 -1.25 -0.23 0.00 0.00 178.00 178.39 1c07 s PRO 102 N -3.46 1.05 0.00 1.56 0.04 -1.26 -5.02 135.00 127.91 1c07 s PRO 102 Ca -0.01 0.28 0.16 0.00 0.04 0.00 0.00 61.00 61.48 1c07 s PRO 102 Cb 0.12 -1.83 0.13 0.00 0.04 0.00 0.00 34.50 32.96 1c07 s PRO 102 CO 0.75 -2.26 1.02 0.43 0.04 0.00 0.00 177.00 176.99