#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 -0.46 0.21 4.78 -0.00 -1.21 -4.36 118.94 117.91 1c07 s TRP 10 Ca 0.00 1.07 -0.03 0.00 -0.00 0.00 0.00 56.10 57.14 1c07 s TRP 10 Cb 0.00 0.17 0.19 0.00 -0.00 0.00 0.00 33.47 33.82 1c07 s TRP 10 CO 0.00 -0.24 1.59 -0.39 -0.00 0.00 0.00 176.95 177.92 1c07 h VAL 11 N 4.87 1.29 -2.38 5.86 -1.51 0.41 -3.44 116.25 121.35 1c07 h VAL 11 Ca -0.30 -1.50 -0.46 0.00 -1.23 0.00 0.00 66.70 63.21 1c07 h VAL 11 Cb 1.18 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 31.79 1c07 h VAL 11 CO 0.28 0.48 -0.30 -0.69 -1.23 0.00 0.00 177.57 176.11 1c07 s VAL 12 N -4.36 4.86 0.00 7.19 1.01 -1.26 -4.90 120.40 122.94 1c07 s VAL 12 Ca -0.08 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1c07 s VAL 12 Cb 0.12 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1c07 s VAL 12 CO 0.83 -0.37 0.00 -0.24 0.00 0.00 0.00 175.10 175.32 1c07 n SER 13 N -1.65 0.00 -3.41 3.32 2.88 -1.26 -4.91 113.62 108.59 1c07 n SER 13 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 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 2.05 -0.20 -1.46 -0.04 -1.26 -4.24 135.00 129.85 1c07 n PRO 14 Ca 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 1c07 n PRO 14 Cb 0.00 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.46 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 -0.14 -0.22 0.55 0.00 -1.26 -0.49 120.51 115.94 1c07 n ALA 15 Ca 0.00 0.47 -0.06 0.00 0.00 0.00 0.00 53.44 53.85 1c07 n ALA 15 Cb 0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 19.45 19.23 1c07 n ALA 15 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1c07 n GLU 16 N -4.69 -0.23 -0.26 0.00 1.02 -1.26 0.14 120.64 115.35 1c07 n GLU 16 Ca 0.04 1.24 0.06 0.00 -0.02 0.00 0.00 57.16 58.48 1c07 n GLU 16 Cb 0.18 -1.84 0.20 0.00 -0.02 0.00 0.00 31.44 29.96 1c07 n GLU 16 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1c07 h LYS 17 N 0.00 0.42 -0.37 3.49 3.11 -0.96 0.49 116.57 122.74 1c07 h LYS 17 Ca 0.08 -0.03 -0.04 0.00 -2.81 0.00 0.00 60.65 57.86 1c07 h LYS 17 Cb 0.22 -0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 31.34 1c07 h LYS 17 CO -0.50 0.28 0.10 0.00 -2.81 0.00 0.00 179.45 176.51 1c07 h ALA 18 N 1.57 0.49 0.00 5.00 0.00 0.09 1.18 119.26 127.59 1c07 h ALA 18 Ca 0.43 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1c07 h ALA 18 Cb 0.68 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1c07 h ALA 18 CO -0.43 0.16 -0.06 -0.22 0.00 0.00 0.00 179.25 178.71 1c07 h LYS 19 N 0.46 0.00 0.00 0.00 3.11 0.29 -2.40 116.57 118.02 1c07 h LYS 19 Ca 0.12 0.00 -0.22 0.00 -2.81 0.00 0.00 60.65 57.74 1c07 h LYS 19 Cb 0.30 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.49 1c07 h LYS 19 CO 0.00 0.06 -1.25 0.66 -2.81 0.00 0.00 179.45 176.11 1c07 n TYR 20 N -4.01 0.95 -0.37 1.91 4.01 0.01 -3.18 117.16 116.47 1c07 n TYR 20 Ca -0.03 0.41 0.28 0.00 -0.16 0.00 0.00 57.90 58.41 1c07 n TYR 20 Cb 0.14 -1.06 0.56 0.00 -0.31 0.00 0.00 39.34 38.67 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 -1.00 0.38 -0.08 7.72 1.82 0.15 1.46 116.42 126.88 1c07 h ASP 21 Ca -0.33 0.12 -0.24 0.00 -0.39 0.00 0.00 57.03 56.19 1c07 h ASP 21 Cb 1.24 0.08 0.02 0.00 0.68 0.00 0.00 39.33 41.34 1c07 h ASP 21 CO -0.20 -0.06 -0.89 -0.33 -1.61 0.00 0.00 179.24 176.16 1c07 h GLU 22 N 0.26 0.74 -0.19 0.28 5.08 -1.58 -3.18 114.58 115.98 1c07 h GLU 22 Ca 0.71 -0.69 -0.14 0.00 -1.00 0.00 0.00 59.36 58.24 1c07 h GLU 22 Cb 1.94 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 31.36 1c07 h GLU 22 CO -0.40 1.28 -0.46 0.82 -1.00 0.00 0.00 179.01 179.25 1c07 h ILE 23 N 0.44 1.32 -1.02 3.13 2.04 0.84 -2.75 117.51 121.51 1c07 h ILE 23 Ca -0.09 -1.66 0.25 0.00 1.00 0.00 0.00 64.86 64.36 1c07 h ILE 23 Cb 1.53 1.67 -0.11 0.00 -0.74 0.00 0.00 36.82 39.17 1c07 h ILE 23 CO 0.18 0.51 0.62 0.15 0.00 0.00 0.00 178.15 179.61 1c07 h PHE 24 N 0.39 0.91 0.00 1.37 3.57 0.16 3.25 116.94 126.59 1c07 h PHE 24 Ca 0.02 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1c07 h PHE 24 Cb 0.96 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.43 1c07 h PHE 24 CO 0.03 0.08 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.03 1c07 h LEU 25 N 0.54 0.00 0.00 0.59 3.38 -1.54 0.51 115.31 118.79 1c07 h LEU 25 Ca 0.63 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.60 1c07 h LEU 25 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1c07 h LEU 25 CO -0.42 0.09 -1.24 0.29 0.09 0.00 0.00 178.44 177.25 1c07 n LYS 26 N -3.94 0.24 -0.08 1.13 4.76 0.93 -4.45 118.16 116.75 1c07 n LYS 26 Ca -0.02 -0.05 -0.12 0.00 -2.87 0.00 0.00 58.31 55.24 1c07 n LYS 26 Cb 0.18 -1.53 -0.06 0.00 -1.84 0.00 0.00 35.03 31.79 1c07 n LYS 26 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1c07 h THR 27 N 0.00 0.44 -0.08 -0.18 2.02 0.47 -3.40 112.91 112.18 1c07 h THR 27 Ca 0.00 -1.54 -0.42 0.00 0.77 0.00 0.00 66.41 65.22 1c07 h THR 27 Cb 0.69 1.04 0.07 0.00 -1.74 0.00 0.00 68.15 68.20 1c07 h THR 27 CO 0.00 0.15 1.17 -0.67 0.37 0.00 0.00 175.52 176.54 1c07 n ASP 28 N -4.55 1.64 0.33 4.18 -0.08 0.16 -4.23 116.55 114.00 1c07 n ASP 28 Ca -0.17 -2.56 0.14 0.00 -1.51 0.00 0.00 54.79 50.69 1c07 n ASP 28 Cb 0.43 -1.09 0.75 0.00 2.34 0.00 0.00 41.12 43.56 1c07 n ASP 28 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1c07 h LYS 29 N 9.98 0.00 -0.22 -0.67 1.79 -1.84 0.53 116.57 126.13 1c07 h LYS 29 Ca 0.22 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.69 1c07 h LYS 29 Cb 0.80 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 1c07 h LYS 29 CO 1.67 0.00 0.00 -0.25 -1.08 0.00 0.00 179.45 179.79 1c07 n ASP 30 N -2.83 2.82 -2.20 0.86 8.00 -1.26 -4.92 116.55 117.01 1c07 n ASP 30 Ca -0.02 -1.90 -0.06 0.00 0.71 0.00 0.00 54.79 53.52 1c07 n ASP 30 Cb 0.42 -0.13 -0.01 0.00 -0.02 0.00 0.00 41.12 41.37 1c07 n ASP 30 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1c07 n MET 31 N 1.11 -2.31 -0.30 -1.24 2.81 0.18 -4.73 117.12 112.64 1c07 n MET 31 Ca 0.17 0.31 0.07 0.00 -1.81 0.00 0.00 57.70 56.44 1c07 n MET 31 Cb 0.53 -4.77 0.22 0.00 -0.71 0.00 0.00 33.22 28.49 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 -1.24 2.81 0.00 7.83 5.75 -1.26 -4.87 116.55 125.57 1c07 n ASP 32 Ca -0.07 -2.09 0.00 0.00 -0.01 0.00 0.00 54.79 52.62 1c07 n ASP 32 Cb 0.48 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 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 1.14 0.73 2.80 6.12 0.00 -1.26 -4.98 105.19 109.74 1c07 n GLY 33 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 1c07 n GLY 33 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1c07 s PHE 34 N -2.90 -0.46 -0.14 1.61 0.08 -1.26 -3.47 117.98 111.44 1c07 s PHE 34 Ca 0.00 0.39 -0.21 0.00 0.12 0.00 0.00 56.93 57.22 1c07 s PHE 34 Cb 0.00 -0.25 -0.03 0.00 -0.57 0.00 0.00 43.02 42.17 1c07 s PHE 34 CO 0.00 -0.66 0.62 0.54 -0.10 0.00 0.00 175.22 175.62 1c07 s VAL 35 N 2.40 5.06 0.37 -0.44 0.11 -0.63 -4.69 120.40 122.58 1c07 s VAL 35 Ca 0.09 1.22 -0.20 0.00 -2.93 0.00 0.00 61.98 60.16 1c07 s VAL 35 Cb -0.16 -3.95 -0.10 0.00 -1.53 0.00 0.00 36.38 30.64 1c07 s VAL 35 CO -0.15 0.19 0.88 -0.55 -3.33 0.00 0.00 175.10 172.14 1c07 s SER 36 N 0.97 6.98 0.59 3.54 0.15 -1.26 0.16 113.70 124.82 1c07 s SER 36 Ca 0.31 1.60 0.32 0.00 0.70 0.00 0.00 55.95 58.87 1c07 s SER 36 Cb -0.16 -2.50 1.22 0.00 -1.71 0.00 0.00 66.02 62.87 1c07 s SER 36 CO 0.12 -0.24 1.50 1.23 1.20 0.00 0.00 173.24 177.06 1c07 h GLY 37 N 2.32 0.00 1.75 9.45 0.00 -1.94 1.37 103.07 116.02 1c07 h GLY 37 Ca -0.48 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.78 1c07 h GLY 37 CO 0.63 0.00 -0.20 -2.00 0.00 0.00 0.00 176.54 174.97 1c07 h LEU 38 N 0.00 0.29 0.00 3.11 5.85 -1.95 0.21 115.31 122.82 1c07 h LEU 38 Ca 0.51 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 59.14 1c07 h LEU 38 Cb 2.67 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 43.62 1c07 h LEU 38 CO -0.01 0.51 -0.36 -0.33 -0.34 0.00 0.00 178.44 177.92 1c07 h GLU 39 N 0.27 0.00 0.00 1.25 5.08 0.15 -3.32 114.58 118.02 1c07 h GLU 39 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1c07 h GLU 39 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1c07 h GLU 39 CO 0.03 0.12 0.05 1.55 -1.00 0.00 0.00 179.01 179.77 1c07 n VAL 40 N -4.66 1.14 0.00 3.13 3.14 -1.05 -3.13 118.33 116.90 1c07 n VAL 40 Ca -0.07 0.69 0.00 0.00 -2.96 0.00 0.00 64.34 62.01 1c07 n VAL 40 Cb 0.21 -1.69 0.00 0.00 -1.06 0.00 0.00 33.84 31.30 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 -2.07 0.00 -0.30 1.45 0.63 0.74 0.26 116.66 117.37 1c07 n ARG 41 Ca -0.01 0.71 0.14 0.00 -0.92 0.00 0.00 57.85 57.78 1c07 n ARG 41 Cb 0.08 -1.49 0.31 0.00 0.45 0.00 0.00 32.46 31.81 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 0.19 -0.89 -0.14 4.22 -1.75 2.16 114.58 118.38 1c07 h GLU 42 Ca 0.00 -0.01 0.03 0.00 0.08 0.00 0.00 59.36 59.45 1c07 h GLU 42 Cb 0.00 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 1c07 h GLU 42 CO 0.00 0.13 0.58 0.82 -2.18 0.00 0.00 179.01 178.36 1c07 h ILE 43 N 0.20 1.17 0.00 2.32 2.04 -1.31 0.18 117.51 122.11 1c07 h ILE 43 Ca 0.58 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 66.04 1c07 h ILE 43 Cb 1.19 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1c07 h ILE 43 CO -0.67 0.21 0.00 -0.26 0.00 0.00 0.00 178.15 177.43 1c07 h PHE 44 N 1.14 0.00 0.00 1.37 -1.00 1.67 -3.08 116.94 117.04 1c07 h PHE 44 Ca 0.34 0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.95 1c07 h PHE 44 Cb -0.04 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.49 1c07 h PHE 44 CO -0.01 0.00 -0.80 -0.07 -1.61 0.00 0.00 178.31 175.81 1c07 h LEU 45 N 0.00 0.00 0.00 1.54 3.38 0.42 -2.86 115.31 117.79 1c07 h LEU 45 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1c07 h LEU 45 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1c07 h LEU 45 CO 0.00 0.80 0.00 0.29 0.09 0.00 0.00 178.44 179.62 1c07 n LYS 46 N -3.55 0.03 0.07 1.13 5.02 -0.28 -3.41 118.16 117.16 1c07 n LYS 46 Ca -0.00 0.15 -0.13 0.00 -2.02 0.00 0.00 58.31 56.31 1c07 n LYS 46 Cb 0.78 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 34.21 1c07 n LYS 46 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1c07 h THR 47 N 0.00 1.01 0.00 -0.18 1.35 -1.57 -3.47 112.91 110.05 1c07 h THR 47 Ca 0.00 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1c07 h THR 47 Cb 0.33 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1c07 h THR 47 CO 0.00 0.13 0.00 0.61 -0.25 0.00 0.00 175.52 176.01 1c07 n GLY 48 N -0.50 1.72 3.94 5.82 0.00 -1.22 -4.90 105.19 110.06 1c07 n GLY 48 Ca -0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 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 2.83 0.00 0.99 2.01 -1.26 -5.07 118.68 118.18 1c07 s LEU 49 Ca 0.00 0.27 0.00 0.00 0.01 0.00 0.00 54.13 54.41 1c07 s LEU 49 Cb 0.00 -2.75 0.00 0.00 0.01 0.00 0.00 46.19 43.45 1c07 s LEU 49 CO 0.00 -1.86 0.00 -0.81 1.01 0.00 0.00 176.35 174.69 1c07 n PRO 50 N -3.06 0.00 0.00 1.29 -0.04 -1.26 -5.02 135.00 126.91 1c07 n PRO 50 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1c07 n PRO 50 Cb 0.60 -0.23 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 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 0.00 0.25 3.54 7.64 -1.26 -4.91 113.62 118.87 1c07 n SER 51 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.97 1c07 n SER 51 Cb 0.00 0.29 0.66 0.00 -1.01 0.00 0.00 64.21 64.15 1c07 n SER 51 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1c07 h THR 52 N 0.00 0.96 0.13 0.44 1.03 -1.99 -2.82 112.91 110.66 1c07 h THR 52 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 66.41 66.41 1c07 h THR 52 Cb 0.00 0.98 -0.05 0.00 -1.07 0.00 0.00 68.15 68.02 1c07 h THR 52 CO 0.00 0.00 -0.53 0.25 -0.01 0.00 0.00 175.52 175.23 1c07 h LEU 53 N 0.00 -1.59 -1.49 0.00 5.85 -1.98 0.89 115.31 116.99 1c07 h LEU 53 Ca 0.02 0.17 0.19 0.00 0.84 0.00 0.00 57.88 59.09 1c07 h LEU 53 Cb 0.06 0.59 -0.06 0.00 0.37 0.00 0.00 40.66 41.61 1c07 h LEU 53 CO -0.00 -0.56 0.58 -0.07 -0.34 0.00 0.00 178.44 178.05 1c07 h LEU 54 N -0.76 0.43 -0.57 2.25 4.07 -1.87 0.90 115.31 119.77 1c07 h LEU 54 Ca -0.01 0.04 -0.13 0.00 0.08 0.00 0.00 57.88 57.86 1c07 h LEU 54 Cb 0.76 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.45 1c07 h LEU 54 CO -0.28 0.19 -0.29 0.00 -1.08 0.00 0.00 178.44 176.98 1c07 h ALA 55 N 1.62 0.75 -0.23 1.53 0.00 -0.78 -0.27 119.26 121.88 1c07 h ALA 55 Ca 0.45 -0.41 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1c07 h ALA 55 Cb 1.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1c07 h ALA 55 CO -0.17 0.66 -0.36 1.25 0.00 0.00 0.00 179.25 180.62 1c07 h HIS 56 N 0.72 0.59 0.00 0.00 -0.00 0.67 -1.82 115.15 115.31 1c07 h HIS 56 Ca 0.08 -0.16 -0.03 0.00 -0.00 0.00 0.00 60.37 60.27 1c07 h HIS 56 Cb 0.83 -0.13 -0.00 0.00 -0.00 0.00 0.00 27.41 28.11 1c07 h HIS 56 CO 0.05 0.80 -0.15 0.82 -0.00 0.00 0.00 177.93 179.45 1c07 h ILE 57 N 0.43 0.41 -0.24 6.26 2.04 0.89 -2.68 117.51 124.62 1c07 h ILE 57 Ca 0.04 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 65.02 1c07 h ILE 57 Cb 0.83 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 1c07 h ILE 57 CO 0.07 0.15 0.02 -0.25 0.00 0.00 0.00 178.15 178.14 1c07 h TRP 58 N 0.00 0.44 0.00 1.37 2.91 -0.16 -0.77 115.95 119.74 1c07 h TRP 58 Ca -0.00 -0.07 -0.09 0.00 1.13 0.00 0.00 58.89 59.86 1c07 h TRP 58 Cb 0.61 -0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 29.13 1c07 h TRP 58 CO 0.00 0.56 -0.41 0.77 -1.03 0.00 0.00 178.44 178.33 1c07 h SER 59 N 0.20 0.00 1.37 2.65 0.02 -1.45 2.15 113.55 118.51 1c07 h SER 59 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1c07 h SER 59 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1c07 h SER 59 CO 0.01 0.41 0.00 -0.07 -1.14 0.00 0.00 176.83 176.04 1c07 h LEU 60 N 0.00 0.00 0.00 5.07 4.07 -1.14 -3.23 115.31 120.07 1c07 h LEU 60 Ca -0.00 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.74 1c07 h LEU 60 Cb 0.74 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.44 1c07 h LEU 60 CO 0.05 0.00 -1.82 0.00 -1.08 0.00 0.00 178.44 175.59 1c07 n ASP 62 N -2.44 4.89 -0.32 0.00 -0.08 0.72 -4.52 116.55 114.80 1c07 n ASP 62 Ca -0.19 -2.40 0.35 0.00 -1.51 0.00 0.00 54.79 51.04 1c07 n ASP 62 Cb 0.89 -1.30 0.74 0.00 2.34 0.00 0.00 41.12 43.79 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 1.97 0.32 0.00 5.18 1.35 -1.81 1.63 112.91 121.56 1c07 h THR 63 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.02 1c07 h THR 63 Cb 1.37 0.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 1c07 h THR 63 CO 0.22 0.00 0.24 0.11 -0.25 0.00 0.00 175.52 175.85 1c07 h LYS 64 N 0.00 0.00 -6.99 4.72 1.79 -1.88 -3.45 116.57 110.76 1c07 h LYS 64 Ca 0.57 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 58.46 1c07 h LYS 64 Cb 2.39 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 32.93 1c07 h LYS 64 CO -0.01 0.00 -0.94 -0.25 -1.08 0.00 0.00 179.45 177.18 1c07 n ASP 65 N -2.85 -1.60 0.00 0.86 9.92 0.56 -4.79 116.55 118.65 1c07 n ASP 65 Ca -0.02 -1.23 0.00 0.00 -0.53 0.00 0.00 54.79 53.01 1c07 n ASP 65 Cb 0.29 -1.49 0.00 0.00 -0.64 0.00 0.00 41.12 39.28 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 1.96 -0.18 3.29 0.00 0.00 -1.26 -5.13 105.19 103.87 1c07 n GLY 67 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1c07 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c07 s LYS 68 N 0.00 1.31 -0.45 1.61 1.02 -1.26 -4.54 119.74 117.43 1c07 s LYS 68 Ca 0.00 -1.58 -0.12 0.00 0.02 0.00 0.00 55.97 54.30 1c07 s LYS 68 Cb 0.00 0.32 0.08 0.00 -0.52 0.00 0.00 37.83 37.71 1c07 s LYS 68 CO 0.00 -0.46 0.33 -0.51 -0.92 0.00 0.00 175.35 173.79 1c07 s LEU 69 N -3.14 5.44 0.00 3.17 1.43 0.12 -4.82 118.68 120.87 1c07 s LEU 69 Ca 0.36 -1.52 0.00 0.00 -1.03 0.00 0.00 54.13 51.94 1c07 s LEU 69 Cb 0.05 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 44.20 1c07 s LEU 69 CO 0.12 -0.61 0.00 -0.24 0.23 0.00 0.00 176.35 175.85 1c07 n SER 70 N 5.03 -1.15 0.05 2.29 2.88 -1.26 -1.61 113.62 119.85 1c07 n SER 70 Ca -0.11 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.41 1c07 n SER 70 Cb 0.43 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.88 1c07 n SER 70 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1c07 h LYS 71 N 0.00 -0.13 0.00 -1.46 3.11 -1.98 -2.86 116.57 113.25 1c07 h LYS 71 Ca 0.00 0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1c07 h LYS 71 Cb 0.00 0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 31.26 1c07 h LYS 71 CO 0.00 -0.08 -0.02 -0.44 -2.81 0.00 0.00 179.45 176.10 1c07 h ASP 72 N -0.24 0.00 0.33 4.20 5.19 -1.94 -2.99 116.42 120.97 1c07 h ASP 72 Ca -0.01 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.38 1c07 h ASP 72 Cb 0.10 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.61 1c07 h ASP 72 CO 0.02 0.02 -0.16 1.56 -3.12 0.00 0.00 179.24 177.56 1c07 h GLN 73 N 0.00 -0.42 -0.17 3.56 1.08 -1.83 -2.63 115.11 114.70 1c07 h GLN 73 Ca -0.00 0.03 0.05 0.00 -1.45 0.00 0.00 58.65 57.28 1c07 h GLN 73 Cb 0.14 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.66 1c07 h GLN 73 CO 0.00 -0.10 0.46 0.35 -0.95 0.00 0.00 178.83 178.60 1c07 h PHE 74 N -0.90 0.00 0.00 2.96 3.57 -1.35 2.26 116.94 123.48 1c07 h PHE 74 Ca -0.04 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1c07 h PHE 74 Cb 0.52 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.26 1c07 h PHE 74 CO 0.03 0.00 -0.21 0.00 -2.23 0.00 0.00 178.31 175.90 1c07 n ALA 75 N -2.01 2.60 -0.02 2.41 0.00 -1.02 -3.60 120.51 118.86 1c07 n ALA 75 Ca 0.02 -0.14 -0.22 0.00 0.00 0.00 0.00 53.44 53.11 1c07 n ALA 75 Cb 0.55 -1.36 -0.13 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.96 2.41 -0.07 0.00 7.94 0.76 -4.01 117.00 122.07 1c07 n LEU 76 Ca 0.05 0.28 -0.07 0.00 -1.11 0.00 0.00 56.01 55.16 1c07 n LEU 76 Cb 0.40 -1.08 -0.01 0.00 0.53 0.00 0.00 43.42 43.26 1c07 n LEU 76 CO 0.32 0.68 0.86 0.00 -1.11 0.00 0.00 177.39 178.14 1c07 h ALA 77 N -0.10 0.26 -1.00 1.96 0.00 -1.50 -0.76 119.26 118.12 1c07 h ALA 77 Ca -0.40 0.07 0.24 0.00 0.00 0.00 0.00 54.91 54.82 1c07 h ALA 77 Cb 1.82 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 19.65 1c07 h ALA 77 CO 0.00 -0.40 0.64 0.74 0.00 0.00 0.00 179.25 180.23 1c07 h PHE 78 N 0.10 0.68 -0.36 0.00 -1.00 -1.74 0.61 116.94 115.22 1c07 h PHE 78 Ca 0.13 0.02 0.10 0.00 2.81 0.00 0.00 57.97 61.03 1c07 h PHE 78 Cb 0.17 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 39.51 1c07 h PHE 78 CO -0.20 0.11 0.26 1.25 -1.61 0.00 0.00 178.31 178.11 1c07 h HIS 79 N 0.45 0.06 0.00 -0.55 2.76 -1.26 0.86 115.15 117.46 1c07 h HIS 79 Ca 0.56 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.62 1c07 h HIS 79 Cb 1.33 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 30.25 1c07 h HIS 79 CO -0.00 0.03 -1.02 -0.07 -1.30 0.00 0.00 177.93 175.56 1c07 h LEU 80 N 0.06 0.00 0.13 0.26 3.38 0.17 -3.14 115.31 116.17 1c07 h LEU 80 Ca 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1c07 h LEU 80 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1c07 h LEU 80 CO -0.01 0.40 -0.06 0.40 0.09 0.00 0.00 178.44 179.26 1c07 h ILE 81 N 0.00 0.00 -0.54 1.22 1.08 0.72 -3.24 117.51 116.75 1c07 h ILE 81 Ca -0.08 -0.65 0.16 0.00 -0.39 0.00 0.00 64.86 63.90 1c07 h ILE 81 Cb 1.38 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 35.11 1c07 h ILE 81 CO 0.04 0.00 0.56 0.77 -0.69 0.00 0.00 178.15 178.83 1c07 h SER 82 N -0.83 0.00 0.14 1.72 4.64 0.36 0.25 113.55 119.82 1c07 h SER 82 Ca -0.02 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.25 1c07 h SER 82 Cb 0.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1c07 h SER 82 CO 0.03 0.00 -0.20 1.56 -0.87 0.00 0.00 176.83 177.35 1c07 h GLN 83 N 0.00 0.13 0.00 4.77 4.20 -1.57 -2.37 115.11 120.27 1c07 h GLN 83 Ca 0.25 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.93 1c07 h GLN 83 Cb 1.38 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.14 1c07 h GLN 83 CO -0.00 0.33 -0.64 1.17 -0.67 0.00 0.00 178.83 179.02 1c07 n LYS 84 N -4.25 0.15 -0.06 1.46 3.00 0.85 0.22 118.16 119.53 1c07 n LYS 84 Ca -0.01 0.03 -0.20 0.00 -0.00 0.00 0.00 58.31 58.12 1c07 n LYS 84 Cb 0.29 -1.58 -0.13 0.00 0.00 0.00 0.00 35.03 33.62 1c07 n LYS 84 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1c07 h LEU 85 N 0.00 0.13 0.00 3.14 3.38 -1.26 -3.30 115.31 117.40 1c07 h LEU 85 Ca 0.00 -0.71 -0.09 0.00 0.09 0.00 0.00 57.88 57.17 1c07 h LEU 85 Cb 0.62 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1c07 h LEU 85 CO 0.00 1.47 -1.52 -0.38 0.09 0.00 0.00 178.44 178.09 1c07 n ILE 86 N -4.27 0.34 0.78 1.22 2.08 -0.95 -4.58 119.36 113.98 1c07 n ILE 86 Ca -0.26 -0.30 0.09 0.00 0.56 0.00 0.00 62.75 62.83 1c07 n ILE 86 Cb 0.73 -0.32 0.03 0.00 -0.75 0.00 0.00 39.64 39.33 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 -2.11 1.58 -3.38 0.38 4.76 -0.82 -4.96 118.16 113.62 1c07 n LYS 87 Ca -0.09 -1.20 -0.22 0.00 -2.87 0.00 0.00 58.31 53.93 1c07 n LYS 87 Cb 0.55 -1.34 -0.02 0.00 -1.84 0.00 0.00 35.03 32.38 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 1.14 -0.47 3.57 0.72 0.00 0.61 -4.80 105.19 105.97 1c07 n GLY 88 Ca 0.09 0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.78 4.36 0.71 -0.61 1.01 0.57 -4.82 121.20 119.64 1c07 s ILE 89 Ca 0.39 -0.19 -0.12 0.00 0.00 0.00 0.00 60.65 60.73 1c07 s ILE 89 Cb -0.21 -2.93 0.18 0.00 0.01 0.00 0.00 42.46 39.50 1c07 s ILE 89 CO 0.48 0.48 0.66 -0.90 0.00 0.00 0.00 174.94 175.66 1c07 n ASP 90 N 3.46 -1.46 -4.86 3.58 5.75 -1.26 -2.97 116.55 118.80 1c07 n ASP 90 Ca -0.17 -0.94 -0.31 0.00 -0.01 0.00 0.00 54.79 53.36 1c07 n ASP 90 Cb 0.52 -0.59 -0.03 0.00 -1.03 0.00 0.00 41.12 39.99 1c07 n ASP 90 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 1c07 s PRO 91 N -4.49 3.85 -0.54 0.11 0.04 -1.26 -4.91 135.00 127.80 1c07 s PRO 91 Ca 0.42 0.79 -0.05 0.00 0.04 0.00 0.00 61.00 62.21 1c07 s PRO 91 Cb -0.04 -2.20 -0.08 0.00 0.04 0.00 0.00 34.50 32.22 1c07 s PRO 91 CO 0.32 -0.25 2.08 -0.35 0.04 0.00 0.00 177.00 178.84 1c07 n PRO 92 N -1.68 1.63 0.00 0.56 -0.04 -1.26 -4.85 135.00 129.36 1c07 n PRO 92 Ca 0.05 -1.08 0.00 0.00 -0.04 0.00 0.00 63.50 62.44 1c07 n PRO 92 Cb 0.54 -2.18 0.00 0.00 -0.04 0.00 0.00 33.50 31.82 1c07 n PRO 92 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1c07 n HIS 93 N 3.69 0.00 -3.19 0.54 8.25 -1.26 -4.40 115.22 118.85 1c07 n HIS 93 Ca 0.35 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.81 1c07 n HIS 93 Cb 0.26 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.37 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 0.00 0.00 -1.50 1.59 0.24 -1.26 -4.89 118.33 112.50 1c07 n VAL 94 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.99 1c07 n VAL 94 Cb 0.00 -0.77 0.08 0.00 -1.47 0.00 0.00 33.84 31.67 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 2.86 0.14 1.34 2.01 -1.26 -4.96 118.68 118.81 1c07 s LEU 95 Ca 0.00 1.52 -0.00 0.00 0.01 0.00 0.00 54.13 55.65 1c07 s LEU 95 Cb 0.00 -4.24 -0.04 0.00 0.01 0.00 0.00 46.19 41.91 1c07 s LEU 95 CO 0.00 -1.79 0.04 0.42 1.01 0.00 0.00 176.35 176.03 1c07 s THR 96 N -3.06 0.26 0.17 5.49 -4.23 -1.26 -5.01 115.64 107.99 1c07 s THR 96 Ca 0.60 -1.93 -0.11 0.00 -1.18 0.00 0.00 61.69 59.07 1c07 s THR 96 Cb -0.15 -2.08 0.04 0.00 1.34 0.00 0.00 72.50 71.66 1c07 s THR 96 CO 0.55 -0.46 1.63 1.55 -0.54 0.00 0.00 174.62 177.35 1c07 h PRO 97 N 2.81 0.97 0.00 3.99 0.13 -1.94 0.58 132.00 138.54 1c07 h PRO 97 Ca -0.36 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 1c07 h PRO 97 Cb 1.20 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1c07 h PRO 97 CO 0.60 0.96 0.00 -1.91 -0.23 0.00 0.00 178.00 177.42 1c07 n GLU 98 N -4.27 0.10 -0.03 0.86 2.13 -1.26 -2.36 120.64 115.80 1c07 n GLU 98 Ca 0.02 0.23 -0.01 0.00 0.66 0.00 0.00 57.16 58.06 1c07 n GLU 98 Cb 0.32 -1.50 -0.07 0.00 0.27 0.00 0.00 31.44 30.46 1c07 n GLU 98 CO 0.00 0.00 0.00 -0.12 -0.41 0.00 0.00 177.13 176.60 1c07 n MET 99 N -1.37 1.87 -2.54 5.31 1.56 -0.31 0.29 117.12 121.94 1c07 n MET 99 Ca 0.04 -0.03 -0.43 0.00 -0.27 0.00 0.00 57.70 57.01 1c07 n MET 99 Cb 0.11 -1.22 -0.02 0.00 2.15 0.00 0.00 33.22 34.23 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 -2.34 4.37 -0.28 1.12 1.01 0.19 -4.82 121.20 120.45 1c07 s ILE 100 Ca -0.04 1.59 -0.27 0.00 0.00 0.00 0.00 60.65 61.93 1c07 s ILE 100 Cb 0.04 -4.27 0.01 0.00 0.01 0.00 0.00 42.46 38.25 1c07 s ILE 100 CO 0.36 -0.41 0.97 -2.16 0.00 0.00 0.00 174.94 173.70 1c07 s PRO 101 N 3.76 4.12 0.00 2.79 0.04 -1.26 -4.80 135.00 139.65 1c07 s PRO 101 Ca 0.50 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1c07 s PRO 101 Cb -0.15 -3.69 0.00 0.00 0.04 0.00 0.00 34.50 30.70 1c07 s PRO 101 CO 0.17 -0.72 0.00 -0.35 0.04 0.00 0.00 177.00 176.14 1c07 n PRO 102 N 6.43 0.00 0.00 0.56 -0.04 -1.26 -5.08 135.00 135.62 1c07 n PRO 102 Ca 0.09 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 64.01 1c07 n PRO 102 Cb 0.47 -0.96 0.00 0.00 -0.04 0.00 0.00 33.50 32.97 1c07 n PRO 102 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91