#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 3.47 0.62 -1.42 -0.00 -1.25 -4.32 118.94 116.03 1c07 s TRP 10 Ca 0.00 1.42 0.38 0.00 -0.00 0.00 0.00 56.10 57.90 1c07 s TRP 10 Cb 0.00 -3.32 2.09 0.00 -0.00 0.00 0.00 33.47 32.24 1c07 s TRP 10 CO 0.00 -0.85 2.17 -0.39 -0.00 0.00 0.00 176.95 177.88 1c07 h VAL 11 N 4.71 0.00 -1.69 5.86 -1.51 -0.87 -3.19 116.25 119.56 1c07 h VAL 11 Ca -0.40 0.00 -0.50 0.00 -1.23 0.00 0.00 66.70 64.57 1c07 h VAL 11 Cb 1.20 0.85 -0.35 0.00 -2.13 0.00 0.00 31.29 30.87 1c07 h VAL 11 CO 0.81 0.00 -1.00 0.55 -1.23 0.00 0.00 177.57 176.70 1c07 n VAL 12 N -2.96 -0.60 -0.08 7.19 3.14 -1.26 -4.95 118.33 118.81 1c07 n VAL 12 Ca -0.03 -3.57 -0.09 0.00 -2.96 0.00 0.00 64.34 57.70 1c07 n VAL 12 Cb 0.18 -1.38 -0.11 0.00 -1.06 0.00 0.00 33.84 31.47 1c07 n VAL 12 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1c07 n SER 13 N 1.51 1.47 -3.25 6.55 2.88 -1.21 -3.30 113.62 118.28 1c07 n SER 13 Ca 0.19 -0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 1c07 n SER 13 Cb 0.54 0.64 0.00 0.00 -0.75 0.00 0.00 64.21 64.65 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 -2.67 2.71 -0.15 -1.46 -0.04 -1.26 -3.99 135.00 128.14 1c07 n PRO 14 Ca -0.27 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.26 1c07 n PRO 14 Cb 0.97 0.00 0.13 0.00 -0.04 0.00 0.00 33.50 34.56 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 0.23 0.13 0.55 0.00 -1.26 0.78 120.51 117.94 1c07 n ALA 15 Ca 0.00 0.48 -0.16 0.00 0.00 0.00 0.00 53.44 53.75 1c07 n ALA 15 Cb 0.00 -0.35 -0.09 0.00 0.00 0.00 0.00 19.45 19.01 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 -0.74 -0.95 0.00 5.08 -1.88 0.59 114.58 116.67 1c07 h GLU 16 Ca 0.27 0.05 0.16 0.00 -1.00 0.00 0.00 59.36 58.84 1c07 h GLU 16 Cb 0.56 0.17 -0.10 0.00 0.50 0.00 0.00 28.75 29.88 1c07 h GLU 16 CO -0.42 -0.50 0.56 -0.22 -1.00 0.00 0.00 179.01 177.43 1c07 h LYS 17 N -0.77 0.74 -0.16 2.33 3.11 0.37 -0.75 116.57 121.45 1c07 h LYS 17 Ca -0.01 -0.04 -0.02 0.00 -2.81 0.00 0.00 60.65 57.77 1c07 h LYS 17 Cb 0.77 -0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 31.82 1c07 h LYS 17 CO -0.26 0.49 0.03 0.00 -2.81 0.00 0.00 179.45 176.90 1c07 h ALA 18 N 1.60 0.21 -0.47 5.00 0.00 -0.77 0.65 119.26 125.48 1c07 h ALA 18 Ca 0.53 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 55.41 1c07 h ALA 18 Cb 0.74 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1c07 h ALA 18 CO -0.36 -0.14 0.33 -0.22 0.00 0.00 0.00 179.25 178.87 1c07 h LYS 19 N 0.05 0.02 0.12 0.00 3.64 0.15 -1.70 116.57 118.86 1c07 h LYS 19 Ca 0.05 -0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.09 1c07 h LYS 19 Cb 0.28 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1c07 h LYS 19 CO 0.00 0.02 -1.78 1.88 -2.27 0.00 0.00 179.45 177.30 1c07 h TYR 20 N 0.02 0.48 -1.00 1.91 0.05 -0.74 -3.16 116.97 114.53 1c07 h TYR 20 Ca 0.22 -0.35 0.20 0.00 0.05 0.00 0.00 58.73 58.86 1c07 h TYR 20 Cb 0.86 -0.02 -0.11 0.00 1.01 0.00 0.00 36.73 38.47 1c07 h TYR 20 CO -0.00 1.70 0.61 0.22 -1.05 0.00 0.00 178.16 179.64 1c07 h ASP 21 N -0.10 0.75 -0.12 3.88 1.82 0.11 1.89 116.42 124.66 1c07 h ASP 21 Ca -0.38 0.10 -0.04 0.00 -0.39 0.00 0.00 57.03 56.32 1c07 h ASP 21 Cb 1.93 -0.03 -0.00 0.00 0.68 0.00 0.00 39.33 41.91 1c07 h ASP 21 CO 0.07 0.23 -0.10 -0.33 -1.61 0.00 0.00 179.24 177.51 1c07 h GLU 22 N 0.71 0.27 -0.72 0.28 5.08 -1.47 -3.05 114.58 115.69 1c07 h GLU 22 Ca 0.59 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.76 1c07 h GLU 22 Cb 0.99 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 1c07 h GLU 22 CO -0.40 0.66 0.24 0.82 -1.00 0.00 0.00 179.01 179.34 1c07 h ILE 23 N -0.12 1.25 -0.50 3.13 2.04 -0.80 -1.03 117.51 121.49 1c07 h ILE 23 Ca 0.02 -0.86 0.14 0.00 1.00 0.00 0.00 64.86 65.17 1c07 h ILE 23 Cb 0.60 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1c07 h ILE 23 CO 0.03 0.34 0.65 0.15 0.00 0.00 0.00 178.15 179.31 1c07 h PHE 24 N 1.06 0.00 0.00 1.37 3.57 0.29 2.87 116.94 126.11 1c07 h PHE 24 Ca 0.24 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.65 1c07 h PHE 24 Cb 0.27 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1c07 h PHE 24 CO 0.02 0.00 -0.40 -0.07 -2.23 0.00 0.00 178.31 175.63 1c07 h LEU 25 N 0.00 0.00 0.00 0.59 3.38 -1.17 0.29 115.31 118.41 1c07 h LEU 25 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1c07 h LEU 25 Cb 1.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.28 1c07 h LEU 25 CO -0.00 0.40 -1.39 1.17 0.09 0.00 0.00 178.44 178.72 1c07 n LYS 26 N -3.49 0.35 -0.08 1.13 4.81 0.90 -4.44 118.16 117.34 1c07 n LYS 26 Ca 0.00 -0.07 -0.11 0.00 -0.87 0.00 0.00 58.31 57.26 1c07 n LYS 26 Cb 0.55 -1.55 -0.06 0.00 0.02 0.00 0.00 35.03 33.99 1c07 n LYS 26 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1c07 h THR 27 N 0.00 0.43 0.00 3.15 2.02 0.54 -3.38 112.91 115.67 1c07 h THR 27 Ca 0.00 -1.51 -0.30 0.00 0.77 0.00 0.00 66.41 65.38 1c07 h THR 27 Cb 0.77 0.99 0.01 0.00 -1.74 0.00 0.00 68.15 68.18 1c07 h THR 27 CO 0.00 0.14 2.14 -0.67 0.37 0.00 0.00 175.52 177.50 1c07 n ASP 28 N -4.56 4.03 -0.29 4.18 -0.08 0.10 -4.39 116.55 115.55 1c07 n ASP 28 Ca -0.16 -2.24 0.14 0.00 -1.51 0.00 0.00 54.79 51.01 1c07 n ASP 28 Cb 0.41 -0.97 0.27 0.00 2.34 0.00 0.00 41.12 43.17 1c07 n ASP 28 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1c07 n LYS 29 N 4.16 -0.07 -0.49 -0.67 4.01 -1.26 0.16 118.16 124.00 1c07 n LYS 29 Ca 0.36 1.24 0.07 0.00 -0.51 0.00 0.00 58.31 59.47 1c07 n LYS 29 Cb 0.14 -2.00 0.27 0.00 -0.51 0.00 0.00 35.03 32.94 1c07 n LYS 29 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1c07 n ASP 30 N -5.17 3.79 -3.95 4.39 5.75 -1.26 -4.94 116.55 115.14 1c07 n ASP 30 Ca 0.21 -2.38 -0.31 0.00 -0.01 0.00 0.00 54.79 52.29 1c07 n ASP 30 Cb 0.68 -0.52 -0.02 0.00 -1.03 0.00 0.00 41.12 40.23 1c07 n ASP 30 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1c07 n MET 31 N 0.74 -0.62 -0.15 0.11 2.81 0.41 -4.79 117.12 115.63 1c07 n MET 31 Ca 0.19 -0.03 0.11 0.00 -1.81 0.00 0.00 57.70 56.17 1c07 n MET 31 Cb 0.73 -2.03 0.19 0.00 -0.71 0.00 0.00 33.22 31.39 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 -1.66 3.29 0.00 7.83 5.68 -1.26 -4.92 116.55 125.51 1c07 n ASP 32 Ca -0.15 -1.96 0.00 0.00 -0.50 0.00 0.00 54.79 52.18 1c07 n ASP 32 Cb 0.46 -0.20 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 1c07 n ASP 32 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1c07 n GLY 33 N 1.37 1.42 3.15 6.12 0.00 -1.26 -5.05 105.19 110.94 1c07 n GLY 33 Ca 0.17 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 1c07 n GLY 33 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1c07 s PHE 34 N -0.83 -0.13 -0.13 1.61 -0.71 -1.25 -1.33 117.98 115.20 1c07 s PHE 34 Ca 0.00 0.25 -0.20 0.00 -1.04 0.00 0.00 56.93 55.95 1c07 s PHE 34 Cb 0.00 0.04 -0.04 0.00 -1.21 0.00 0.00 43.02 41.81 1c07 s PHE 34 CO 0.00 -0.26 0.55 0.54 -1.34 0.00 0.00 175.22 174.71 1c07 s VAL 35 N -0.84 5.12 0.53 -2.49 0.11 -0.62 -4.64 120.40 117.57 1c07 s VAL 35 Ca -0.09 1.08 -0.18 0.00 -2.93 0.00 0.00 61.98 59.85 1c07 s VAL 35 Cb -0.05 -3.88 -0.07 0.00 -1.53 0.00 0.00 36.38 30.85 1c07 s VAL 35 CO 0.02 0.25 1.05 -0.44 -3.33 0.00 0.00 175.10 172.65 1c07 s SER 36 N 0.84 6.13 0.62 3.54 0.01 -1.26 -1.89 113.70 121.68 1c07 s SER 36 Ca 0.28 1.88 0.24 0.00 1.31 0.00 0.00 55.95 59.66 1c07 s SER 36 Cb -0.16 -2.55 1.04 0.00 0.21 0.00 0.00 66.02 64.56 1c07 s SER 36 CO 0.12 -0.93 1.52 1.23 0.41 0.00 0.00 173.24 175.59 1c07 h GLY 37 N 1.13 0.00 0.96 3.44 0.00 -1.92 0.19 103.07 106.86 1c07 h GLY 37 Ca -0.48 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 1c07 h GLY 37 CO 0.58 0.00 0.18 1.41 0.00 0.00 0.00 176.54 178.72 1c07 h LEU 38 N 0.00 0.41 0.00 3.11 3.38 -1.92 0.57 115.31 120.86 1c07 h LEU 38 Ca 0.27 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1c07 h LEU 38 Cb 1.96 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.61 1c07 h LEU 38 CO -0.00 0.38 -0.03 -0.33 0.09 0.00 0.00 178.44 178.55 1c07 h GLU 39 N 0.41 0.00 -0.01 1.13 5.08 -0.91 -3.26 114.58 117.02 1c07 h GLU 39 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1c07 h GLU 39 Cb 0.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1c07 h GLU 39 CO -0.02 0.28 0.16 -0.24 -1.00 0.00 0.00 179.01 178.19 1c07 h VAL 40 N -1.00 0.03 0.00 3.13 3.04 -1.60 -3.21 116.25 116.64 1c07 h VAL 40 Ca -0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1c07 h VAL 40 Cb 0.30 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 30.42 1c07 h VAL 40 CO -0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.57 175.42 1c07 n ARG 41 N -3.03 0.00 -0.31 4.17 0.63 0.20 0.64 116.66 118.96 1c07 n ARG 41 Ca -0.02 0.62 0.12 0.00 -0.92 0.00 0.00 57.85 57.65 1c07 n ARG 41 Cb 0.22 -1.20 0.26 0.00 0.45 0.00 0.00 32.46 32.19 1c07 n ARG 41 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1c07 h GLU 42 N 0.00 0.07 -0.96 -0.14 3.07 -1.76 2.27 114.58 117.13 1c07 h GLU 42 Ca 0.00 -0.00 0.18 0.00 -0.50 0.00 0.00 59.36 59.04 1c07 h GLU 42 Cb 0.00 -0.01 -0.09 0.00 -0.84 0.00 0.00 28.75 27.81 1c07 h GLU 42 CO 0.00 0.04 0.61 0.82 -1.40 0.00 0.00 179.01 179.08 1c07 h ILE 43 N 0.07 0.74 0.15 3.13 2.04 -1.03 0.41 117.51 123.01 1c07 h ILE 43 Ca 0.54 -0.23 -0.22 0.00 1.00 0.00 0.00 64.86 65.96 1c07 h ILE 43 Cb 1.08 0.02 0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1c07 h ILE 43 CO -0.81 0.12 -1.01 -0.26 0.00 0.00 0.00 178.15 176.19 1c07 h PHE 44 N 0.66 0.59 -0.28 1.37 0.04 0.92 -3.20 116.94 117.04 1c07 h PHE 44 Ca 0.51 -0.43 0.08 0.00 2.80 0.00 0.00 57.97 60.93 1c07 h PHE 44 Cb 0.93 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.04 1c07 h PHE 44 CO -0.00 1.39 0.43 -0.07 -0.60 0.00 0.00 178.31 179.45 1c07 h LEU 45 N -0.29 0.00 0.00 1.54 3.38 0.15 1.36 115.31 121.44 1c07 h LEU 45 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1c07 h LEU 45 Cb 1.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.49 1c07 h LEU 45 CO 0.15 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.97 1c07 n LYS 46 N -3.41 0.40 0.00 1.13 5.02 0.00 -3.19 118.16 118.12 1c07 n LYS 46 Ca 0.04 0.02 0.12 0.00 -2.02 0.00 0.00 58.31 56.47 1c07 n LYS 46 Cb 0.56 -1.50 0.58 0.00 -0.02 0.00 0.00 35.03 34.65 1c07 n LYS 46 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1c07 n THR 47 N -1.28 0.26 -1.10 -0.18 -2.24 0.47 -4.86 114.28 105.34 1c07 n THR 47 Ca 0.13 0.06 -0.04 0.00 -2.27 0.00 0.00 64.05 61.94 1c07 n THR 47 Cb 0.22 -0.65 -0.02 0.00 -2.10 0.00 0.00 70.33 67.79 1c07 n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1c07 n GLY 48 N 0.95 0.64 3.93 3.38 0.00 -1.19 -4.88 105.19 108.02 1c07 n GLY 48 Ca 0.09 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.82 3.31 0.00 0.99 1.02 -1.26 -5.10 118.68 116.82 1c07 s LEU 49 Ca 0.00 0.56 0.00 0.00 0.02 0.00 0.00 54.13 54.71 1c07 s LEU 49 Cb 0.00 -3.39 0.00 0.00 0.02 0.00 0.00 46.19 42.82 1c07 s LEU 49 CO 0.00 -1.01 0.00 -0.81 0.02 0.00 0.00 176.35 174.55 1c07 n PRO 50 N -2.47 1.53 0.00 1.29 -0.04 -1.26 -4.97 135.00 129.08 1c07 n PRO 50 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1c07 n PRO 50 Cb 0.58 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.04 1c07 n PRO 50 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1c07 n SER 51 N 0.00 0.00 -0.35 3.54 2.88 -1.26 -4.17 113.62 114.27 1c07 n SER 51 Ca 0.00 0.12 -0.08 0.00 -1.33 0.00 0.00 58.87 57.57 1c07 n SER 51 Cb 0.00 -0.33 -0.06 0.00 -0.75 0.00 0.00 64.21 63.07 1c07 n SER 51 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1c07 h THR 52 N 0.00 0.01 -0.96 2.46 2.02 -1.99 0.57 112.91 115.02 1c07 h THR 52 Ca 0.00 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.37 1c07 h THR 52 Cb 0.00 0.01 -0.18 0.00 -1.74 0.00 0.00 68.15 66.24 1c07 h THR 52 CO 0.00 0.00 -0.25 0.25 0.37 0.00 0.00 175.52 175.89 1c07 h LEU 53 N -0.08 -0.93 -0.87 2.58 5.85 -1.98 0.82 115.31 120.70 1c07 h LEU 53 Ca 0.20 0.29 0.06 0.00 0.84 0.00 0.00 57.88 59.27 1c07 h LEU 53 Cb 0.50 0.60 -0.06 0.00 0.37 0.00 0.00 40.66 42.07 1c07 h LEU 53 CO -0.88 -0.31 0.54 -0.07 -0.34 0.00 0.00 178.44 177.38 1c07 h LEU 54 N -0.00 0.85 -0.65 2.25 4.07 -1.05 0.34 115.31 121.12 1c07 h LEU 54 Ca 0.45 0.02 -0.08 0.00 0.08 0.00 0.00 57.88 58.34 1c07 h LEU 54 Cb 0.69 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.24 1c07 h LEU 54 CO -0.98 0.55 0.08 0.00 -1.08 0.00 0.00 178.44 177.00 1c07 h ALA 55 N 1.41 0.86 -0.73 1.53 0.00 0.83 0.16 119.26 123.32 1c07 h ALA 55 Ca 0.38 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1c07 h ALA 55 Cb 0.16 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1c07 h ALA 55 CO -0.17 0.65 0.20 1.25 0.00 0.00 0.00 179.25 181.18 1c07 h HIS 56 N 1.01 1.20 -0.06 0.00 -0.00 0.66 -1.81 115.15 116.15 1c07 h HIS 56 Ca 0.19 -0.13 -0.10 0.00 -0.00 0.00 0.00 60.37 60.33 1c07 h HIS 56 Cb 0.48 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 27.53 1c07 h HIS 56 CO 0.04 0.96 -0.43 0.82 -0.00 0.00 0.00 177.93 179.31 1c07 h ILE 57 N 1.09 1.32 -0.70 6.26 2.04 0.06 -2.30 117.51 125.28 1c07 h ILE 57 Ca 0.23 -1.53 -0.04 0.00 1.00 0.00 0.00 64.86 64.51 1c07 h ILE 57 Cb 0.35 1.76 -0.03 0.00 -0.74 0.00 0.00 36.82 38.15 1c07 h ILE 57 CO -0.00 0.45 0.26 -0.25 0.00 0.00 0.00 178.15 178.61 1c07 h TRP 58 N 0.10 1.06 0.00 1.37 2.91 0.14 -1.37 115.95 120.16 1c07 h TRP 58 Ca 0.01 -0.08 -0.09 0.00 1.13 0.00 0.00 58.89 59.86 1c07 h TRP 58 Cb 0.81 -0.32 -0.01 0.00 -0.51 0.00 0.00 29.16 29.13 1c07 h TRP 58 CO 0.01 0.82 -0.42 0.66 -1.03 0.00 0.00 178.44 178.48 1c07 h SER 59 N 1.01 0.00 1.07 2.65 4.64 -1.13 0.76 113.55 122.56 1c07 h SER 59 Ca 0.23 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.47 1c07 h SER 59 Cb 0.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1c07 h SER 59 CO -0.02 0.42 -0.41 0.25 -0.87 0.00 0.00 176.83 176.20 1c07 h LEU 60 N 0.00 0.00 0.00 5.97 5.85 -0.77 -3.26 115.31 123.10 1c07 h LEU 60 Ca -0.00 0.00 -0.36 0.00 0.84 0.00 0.00 57.88 58.35 1c07 h LEU 60 Cb 1.06 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.03 1c07 h LEU 60 CO 0.05 0.41 -2.36 0.00 -0.34 0.00 0.00 178.44 176.20 1c07 n ASP 62 N -2.86 5.23 -0.25 0.00 2.03 0.26 -4.48 116.55 116.49 1c07 n ASP 62 Ca -0.35 -2.39 0.20 0.00 0.52 0.00 0.00 54.79 52.76 1c07 n ASP 62 Cb 1.09 -1.17 0.52 0.00 -0.72 0.00 0.00 41.12 40.84 1c07 n ASP 62 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1c07 h THR 63 N 3.47 0.66 0.00 5.18 1.35 -1.80 1.10 112.91 122.86 1c07 h THR 63 Ca 0.54 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 66.27 1c07 h THR 63 Cb 0.22 0.23 0.00 0.00 -1.73 0.00 0.00 68.15 66.87 1c07 h THR 63 CO 1.54 0.07 0.00 0.29 -0.25 0.00 0.00 175.52 177.17 1c07 n LYS 64 N -4.51 0.11 -4.15 4.72 4.01 -1.26 -4.83 118.16 112.24 1c07 n LYS 64 Ca 0.20 0.60 -0.41 0.00 -0.51 0.00 0.00 58.31 58.19 1c07 n LYS 64 Cb 0.73 -1.85 -0.02 0.00 -0.51 0.00 0.00 35.03 33.37 1c07 n LYS 64 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1c07 n ASP 65 N -2.09 -2.33 0.00 4.39 -0.08 0.38 -4.82 116.55 112.00 1c07 n ASP 65 Ca -0.01 -1.28 0.00 0.00 -1.51 0.00 0.00 54.79 51.99 1c07 n ASP 65 Cb 0.04 -1.72 0.00 0.00 2.34 0.00 0.00 41.12 41.78 1c07 n ASP 65 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1c07 n GLY 67 N -0.11 0.71 3.46 0.00 0.00 -1.26 -5.04 105.19 102.95 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 -1.59 0.00 0.00 0.00 173.32 171.73 1c07 s LYS 68 N -0.37 1.68 -0.39 1.61 -2.85 -1.26 -4.17 119.74 113.99 1c07 s LYS 68 Ca 0.00 -1.93 0.02 0.00 -1.00 0.00 0.00 55.97 53.06 1c07 s LYS 68 Cb 0.00 -0.92 0.11 0.00 -2.06 0.00 0.00 37.83 34.96 1c07 s LYS 68 CO 0.00 -0.18 0.12 -0.51 0.10 0.00 0.00 175.35 174.88 1c07 s LEU 69 N -3.50 4.85 0.87 2.77 1.43 -0.79 -4.68 118.68 119.62 1c07 s LEU 69 Ca 0.36 -2.25 -0.12 0.00 -1.03 0.00 0.00 54.13 51.10 1c07 s LEU 69 Cb 0.09 -1.68 0.08 0.00 0.03 0.00 0.00 46.19 44.70 1c07 s LEU 69 CO 0.16 -0.40 0.00 -1.54 0.23 0.00 0.00 176.35 174.80 1c07 n SER 70 N 4.17 -2.69 0.29 2.29 3.41 -1.26 -1.59 113.62 118.24 1c07 n SER 70 Ca 0.03 -0.22 -0.15 0.00 -0.26 0.00 0.00 58.87 58.27 1c07 n SER 70 Cb 0.41 -0.68 -0.08 0.00 -0.26 0.00 0.00 64.21 63.60 1c07 n SER 70 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1c07 h LYS 71 N -2.27 -0.71 -0.07 4.33 1.63 -1.60 -2.85 116.57 115.02 1c07 h LYS 71 Ca -0.21 0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.63 1c07 h LYS 71 Cb 0.67 0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 32.45 1c07 h LYS 71 CO 0.13 -0.41 0.02 -0.44 -3.45 0.00 0.00 179.45 175.31 1c07 h ASP 72 N -0.97 0.11 -0.94 4.20 5.19 -1.89 -3.03 116.42 119.10 1c07 h ASP 72 Ca -0.08 -0.21 0.28 0.00 -0.62 0.00 0.00 57.03 56.40 1c07 h ASP 72 Cb 0.64 -0.03 -0.15 0.00 0.18 0.00 0.00 39.33 39.97 1c07 h ASP 72 CO 0.12 0.29 0.34 1.56 -3.12 0.00 0.00 179.24 178.44 1c07 h GLN 73 N -0.08 0.21 -0.63 3.56 4.20 -1.78 0.29 115.11 120.88 1c07 h GLN 73 Ca 0.02 -0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.80 1c07 h GLN 73 Cb 0.23 -0.05 -0.07 0.00 0.30 0.00 0.00 27.48 27.89 1c07 h GLN 73 CO -0.00 0.14 0.29 0.35 -0.67 0.00 0.00 178.83 178.94 1c07 h PHE 74 N 0.21 0.52 0.00 2.96 3.57 -1.37 0.39 116.94 123.23 1c07 h PHE 74 Ca 0.63 0.03 0.00 0.00 3.53 0.00 0.00 57.97 62.16 1c07 h PHE 74 Cb 1.37 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.97 1c07 h PHE 74 CO -0.19 0.19 0.00 0.00 -2.23 0.00 0.00 178.31 176.08 1c07 n ALA 75 N -2.41 1.59 -0.01 2.41 0.00 1.00 -2.70 120.51 120.39 1c07 n ALA 75 Ca 0.09 -0.05 -0.15 0.00 0.00 0.00 0.00 53.44 53.33 1c07 n ALA 75 Cb 0.24 -1.20 -0.14 0.00 0.00 0.00 0.00 19.45 18.35 1c07 n ALA 75 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1c07 n LEU 76 N -1.47 1.79 -0.14 0.00 0.00 0.13 -4.09 117.00 113.22 1c07 n LEU 76 Ca 0.03 0.28 -0.06 0.00 0.00 0.00 0.00 56.01 56.26 1c07 n LEU 76 Cb 0.14 -0.50 0.02 0.00 0.00 0.00 0.00 43.42 43.08 1c07 n LEU 76 CO 0.11 0.64 1.02 0.00 0.00 0.00 0.00 177.39 179.17 1c07 h ALA 77 N 0.51 0.55 -0.83 1.96 0.00 -1.19 -2.03 119.26 118.24 1c07 h ALA 77 Ca -0.37 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.62 1c07 h ALA 77 Cb 2.03 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 19.65 1c07 h ALA 77 CO 0.08 -0.08 0.54 0.74 0.00 0.00 0.00 179.25 180.53 1c07 h PHE 78 N 0.50 0.88 -0.18 0.00 -1.00 -1.74 0.40 116.94 115.81 1c07 h PHE 78 Ca 0.18 0.02 0.05 0.00 2.81 0.00 0.00 57.97 61.03 1c07 h PHE 78 Cb 0.03 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 39.30 1c07 h PHE 78 CO -0.08 0.43 0.57 1.25 -1.61 0.00 0.00 178.31 178.88 1c07 h HIS 79 N 0.84 0.00 0.00 -0.55 -0.00 -1.51 1.14 115.15 115.07 1c07 h HIS 79 Ca 0.37 0.00 -0.16 0.00 -0.00 0.00 0.00 60.37 60.58 1c07 h HIS 79 Cb 0.34 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.72 1c07 h HIS 79 CO -0.00 0.00 -2.03 1.28 -0.00 0.00 0.00 177.93 177.18 1c07 n LEU 80 N -3.01 0.15 0.10 0.26 4.77 0.11 -3.97 117.00 115.40 1c07 n LEU 80 Ca 0.03 0.06 -0.07 0.00 -0.03 0.00 0.00 56.01 56.00 1c07 n LEU 80 Cb 0.66 0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 41.91 1c07 n LEU 80 CO 0.14 0.20 0.19 0.40 -1.33 0.00 0.00 177.39 177.00 1c07 h ILE 81 N 0.00 0.17 -1.06 -0.08 2.04 0.15 -3.20 117.51 115.52 1c07 h ILE 81 Ca -0.23 -0.83 0.31 0.00 1.00 0.00 0.00 64.86 65.10 1c07 h ILE 81 Cb 1.56 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 37.89 1c07 h ILE 81 CO 0.02 0.05 0.76 -1.28 0.00 0.00 0.00 178.15 177.70 1c07 h SER 82 N -1.06 0.03 0.82 1.72 0.87 -1.07 0.91 113.55 115.78 1c07 h SER 82 Ca -0.03 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.51 1c07 h SER 82 Cb 0.34 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1c07 h SER 82 CO 0.06 0.01 -0.09 1.56 -0.53 0.00 0.00 176.83 177.83 1c07 h GLN 83 N 0.03 0.00 0.00 2.24 4.20 -1.68 -2.10 115.11 117.80 1c07 h GLN 83 Ca 0.51 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 59.05 1c07 h GLN 83 Cb 1.99 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.75 1c07 h GLN 83 CO -0.03 0.09 -1.48 1.63 -0.67 0.00 0.00 178.83 178.37 1c07 n LYS 84 N -3.27 0.63 -0.03 1.46 5.02 0.31 0.26 118.16 122.54 1c07 n LYS 84 Ca -0.00 0.20 -0.01 0.00 -2.02 0.00 0.00 58.31 56.47 1c07 n LYS 84 Cb 0.32 -1.78 -0.00 0.00 -0.02 0.00 0.00 35.03 33.54 1c07 n LYS 84 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1c07 h LEU 85 N 0.00 0.00 -0.18 -0.35 3.38 -1.17 -2.40 115.31 114.60 1c07 h LEU 85 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1c07 h LEU 85 Cb 1.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.34 1c07 h LEU 85 CO 0.04 0.30 -0.14 -0.38 0.09 0.00 0.00 178.44 178.35 1c07 n ILE 86 N -3.29 0.00 0.00 1.22 2.08 -0.81 -4.15 119.36 114.41 1c07 n ILE 86 Ca -0.02 -0.05 0.00 0.00 0.56 0.00 0.00 62.75 63.24 1c07 n ILE 86 Cb 0.07 -0.11 0.00 0.00 -0.75 0.00 0.00 39.64 38.86 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 -1.09 2.59 -1.31 0.38 4.76 -1.14 -5.01 118.16 117.35 1c07 n LYS 87 Ca 0.12 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.46 1c07 n LYS 87 Cb 0.29 -0.83 -0.05 0.00 -1.84 0.00 0.00 35.03 32.60 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 2.11 1.18 3.82 0.72 0.00 0.70 -4.85 105.19 108.87 1c07 n GLY 88 Ca 0.00 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.32 4.75 0.89 -0.61 1.01 0.72 -4.80 121.20 120.83 1c07 s ILE 89 Ca 0.00 1.14 -0.12 0.00 0.00 0.00 0.00 60.65 61.67 1c07 s ILE 89 Cb 0.00 -3.86 0.12 0.00 0.01 0.00 0.00 42.46 38.73 1c07 s ILE 89 CO 0.00 0.48 1.11 -1.81 0.00 0.00 0.00 174.94 174.71 1c07 s ASP 90 N -1.26 3.65 0.41 3.58 1.11 -1.26 -3.49 116.67 119.41 1c07 s ASP 90 Ca 0.31 1.19 -0.23 0.00 0.18 0.00 0.00 52.55 54.00 1c07 s ASP 90 Cb -0.18 -1.85 -0.09 0.00 1.07 0.00 0.00 42.92 41.87 1c07 s ASP 90 CO 0.19 -2.49 1.05 -2.16 1.18 0.00 0.00 175.17 172.94 1c07 s PRO 91 N -5.13 4.11 -0.59 8.23 0.04 -1.26 -4.95 135.00 135.44 1c07 s PRO 91 Ca 0.63 1.48 -0.27 0.00 0.04 0.00 0.00 61.00 62.88 1c07 s PRO 91 Cb -0.16 -2.47 -0.01 0.00 0.04 0.00 0.00 34.50 31.91 1c07 s PRO 91 CO 0.55 -0.18 1.69 -1.25 0.04 0.00 0.00 177.00 177.84 1c07 s PRO 92 N -2.62 2.90 0.00 0.56 0.04 -1.26 -4.88 135.00 129.74 1c07 s PRO 92 Ca 0.59 0.55 0.00 0.00 0.04 0.00 0.00 61.00 62.18 1c07 s PRO 92 Cb -0.21 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 30.04 1c07 s PRO 92 CO 0.26 -2.41 0.00 0.72 0.04 0.00 0.00 177.00 175.61 1c07 n HIS 93 N 11.43 0.00 -4.24 0.56 8.25 -1.26 -4.37 115.22 125.59 1c07 n HIS 93 Ca 0.17 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.52 1c07 n HIS 93 Cb 0.51 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.59 1c07 n HIS 93 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1c07 n VAL 94 N -0.50 0.00 -2.14 1.59 0.24 -1.26 -4.91 118.33 111.35 1c07 n VAL 94 Ca 0.00 -0.81 -0.27 0.00 -2.04 0.00 0.00 64.34 61.23 1c07 n VAL 94 Cb 0.00 0.19 0.08 0.00 -1.47 0.00 0.00 33.84 32.64 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 2.76 0.35 1.34 1.43 -1.26 -5.00 118.68 118.29 1c07 s LEU 95 Ca 0.01 0.47 0.05 0.00 -1.03 0.00 0.00 54.13 53.63 1c07 s LEU 95 Cb 0.00 -3.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.15 1c07 s LEU 95 CO 0.01 -1.74 0.19 0.42 0.23 0.00 0.00 176.35 175.46 1c07 s THR 96 N -3.34 0.32 -0.72 5.49 -4.23 -1.26 -5.01 115.64 106.88 1c07 s THR 96 Ca 0.62 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.33 1c07 s THR 96 Cb -0.10 -2.44 0.20 0.00 1.34 0.00 0.00 72.50 71.49 1c07 s THR 96 CO 0.46 0.00 1.63 -0.81 -0.54 0.00 0.00 174.62 175.36 1c07 n PRO 97 N -0.71 0.11 0.11 3.99 -0.04 -1.26 -1.74 135.00 135.46 1c07 n PRO 97 Ca 0.00 0.32 0.12 0.00 -0.04 0.00 0.00 63.50 63.91 1c07 n PRO 97 Cb 0.64 -1.71 0.09 0.00 -0.04 0.00 0.00 33.50 32.49 1c07 n PRO 97 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1c07 h GLU 98 N 0.00 0.00 0.09 0.54 5.08 -1.96 -3.35 114.58 114.98 1c07 h GLU 98 Ca 0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.04 1c07 h GLU 98 Cb 0.35 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1c07 h GLU 98 CO 0.00 0.00 -1.77 -1.33 -1.00 0.00 0.00 179.01 174.91 1c07 n MET 99 N -2.58 0.70 -1.65 2.33 2.81 -0.71 -0.16 117.12 117.87 1c07 n MET 99 Ca 0.02 0.36 -0.45 0.00 -1.81 0.00 0.00 57.70 55.82 1c07 n MET 99 Cb 0.51 -1.72 -0.02 0.00 -0.71 0.00 0.00 33.22 31.28 1c07 n MET 99 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1c07 n ILE 100 N -3.79 1.43 -2.18 2.02 5.41 -0.83 -4.84 119.36 116.59 1c07 n ILE 100 Ca -0.32 -0.36 -0.43 0.00 1.00 0.00 0.00 62.75 62.64 1c07 n ILE 100 Cb 0.93 -1.33 -0.02 0.00 -0.71 0.00 0.00 39.64 38.51 1c07 n ILE 100 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1c07 s PRO 101 N -1.03 3.69 0.91 0.38 0.04 -1.26 -4.87 135.00 132.85 1c07 s PRO 101 Ca 0.63 1.42 -0.12 0.00 0.04 0.00 0.00 61.00 62.97 1c07 s PRO 101 Cb -0.66 -4.04 0.13 0.00 0.04 0.00 0.00 34.50 29.97 1c07 s PRO 101 CO 0.55 -1.42 1.12 -1.25 0.04 0.00 0.00 177.00 176.04 1c07 s PRO 102 N 4.83 1.19 0.00 0.56 0.04 -1.26 -5.17 135.00 135.19 1c07 s PRO 102 Ca 0.69 0.44 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1c07 s PRO 102 Cb -0.21 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1c07 s PRO 102 CO 0.30 -2.20 0.00 0.45 0.04 0.00 0.00 177.00 175.59