#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 1.82 0.14 -1.42 -0.00 -1.26 -4.50 118.94 113.73 1c07 s TRP 10 Ca 0.00 -0.38 -0.13 0.00 -0.00 0.00 0.00 56.10 55.60 1c07 s TRP 10 Cb 0.00 -1.09 0.01 0.00 -0.00 0.00 0.00 33.47 32.39 1c07 s TRP 10 CO 0.00 0.09 1.60 -0.39 -0.00 0.00 0.00 176.95 178.25 1c07 h VAL 11 N 4.35 1.26 -2.31 5.86 -1.51 -1.08 -3.44 116.25 119.39 1c07 h VAL 11 Ca -0.43 -1.05 -0.56 0.00 -1.23 0.00 0.00 66.70 63.44 1c07 h VAL 11 Cb 1.16 1.00 -0.09 0.00 -2.13 0.00 0.00 31.29 31.23 1c07 h VAL 11 CO 0.44 0.36 -0.64 0.54 -1.23 0.00 0.00 177.57 177.05 1c07 s VAL 12 N -5.03 3.59 0.00 7.19 0.11 -1.26 -4.95 120.40 120.04 1c07 s VAL 12 Ca -0.13 -1.79 0.00 0.00 -2.93 0.00 0.00 61.98 57.13 1c07 s VAL 12 Cb 0.11 -2.90 0.00 0.00 -1.53 0.00 0.00 36.38 32.06 1c07 s VAL 12 CO 0.81 -0.33 0.00 -1.20 -3.33 0.00 0.00 175.10 171.05 1c07 n SER 13 N -0.81 0.00 -3.58 3.54 7.64 -1.26 -4.89 113.62 114.25 1c07 n SER 13 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1c07 n SER 13 Cb 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 1c07 n SER 13 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1c07 n PRO 14 N 0.00 2.40 -0.15 1.43 -0.04 -1.26 -3.61 135.00 133.77 1c07 n PRO 14 Ca 0.00 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.55 1c07 n PRO 14 Cb 0.00 0.00 0.17 0.00 -0.04 0.00 0.00 33.50 33.63 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 0.30 0.16 0.55 0.00 -1.26 0.26 120.51 117.53 1c07 n ALA 15 Ca 0.00 0.46 -0.14 0.00 0.00 0.00 0.00 53.44 53.76 1c07 n ALA 15 Cb 0.00 -0.38 -0.08 0.00 0.00 0.00 0.00 19.45 18.99 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 -0.68 -0.94 0.00 5.08 -1.97 0.81 114.58 116.89 1c07 h GLU 16 Ca 0.30 0.05 0.16 0.00 -1.00 0.00 0.00 59.36 58.87 1c07 h GLU 16 Cb 0.70 0.16 -0.08 0.00 0.50 0.00 0.00 28.75 30.02 1c07 h GLU 16 CO -0.38 -0.46 0.60 -0.22 -1.00 0.00 0.00 179.01 177.55 1c07 h LYS 17 N -0.71 0.67 -0.01 2.33 3.11 -0.25 -1.08 116.57 120.63 1c07 h LYS 17 Ca -0.03 -0.04 -0.00 0.00 -2.81 0.00 0.00 60.65 57.77 1c07 h LYS 17 Cb 0.66 -0.15 -0.00 0.00 -1.00 0.00 0.00 32.23 31.73 1c07 h LYS 17 CO -0.14 0.44 -0.00 0.00 -2.81 0.00 0.00 179.45 176.94 1c07 h ALA 18 N 1.60 0.01 -0.61 5.00 0.00 -0.89 1.46 119.26 125.83 1c07 h ALA 18 Ca 0.49 -0.17 0.18 0.00 0.00 0.00 0.00 54.91 55.41 1c07 h ALA 18 Cb 0.83 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1c07 h ALA 18 CO -0.25 -0.32 0.47 -0.22 0.00 0.00 0.00 179.25 178.93 1c07 h LYS 19 N -0.32 0.00 0.00 0.00 3.64 0.18 -1.66 116.57 118.40 1c07 h LYS 19 Ca 0.00 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.20 1c07 h LYS 19 Cb 0.34 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 1c07 h LYS 19 CO 0.00 0.00 -1.16 0.66 -2.27 0.00 0.00 179.45 176.68 1c07 n TYR 20 N -4.23 0.88 -0.37 1.91 4.01 -0.60 -3.20 117.16 115.56 1c07 n TYR 20 Ca 0.12 0.38 0.31 0.00 -0.16 0.00 0.00 57.90 58.55 1c07 n TYR 20 Cb 0.71 -0.99 0.57 0.00 -0.31 0.00 0.00 39.34 39.32 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 0.36 0.17 7.72 3.58 0.24 2.38 116.42 129.87 1c07 h ASP 21 Ca -0.28 0.19 -0.23 0.00 0.42 0.00 0.00 57.03 57.13 1c07 h ASP 21 Cb 1.11 0.17 0.01 0.00 1.72 0.00 0.00 39.33 42.34 1c07 h ASP 21 CO -0.17 -0.24 -0.92 -0.33 -2.88 0.00 0.00 179.24 174.70 1c07 h GLU 22 N 0.14 0.54 -0.08 0.28 4.39 -1.47 -3.22 114.58 115.16 1c07 h GLU 22 Ca 0.80 -0.54 -0.22 0.00 0.34 0.00 0.00 59.36 59.73 1c07 h GLU 22 Cb 2.15 0.14 0.01 0.00 -0.10 0.00 0.00 28.75 30.95 1c07 h GLU 22 CO -0.59 1.17 -0.84 0.82 -1.16 0.00 0.00 179.01 178.40 1c07 h ILE 23 N 0.32 1.32 -1.00 3.13 2.04 0.25 -3.11 117.51 120.46 1c07 h ILE 23 Ca -0.08 -2.13 0.24 0.00 1.00 0.00 0.00 64.86 63.89 1c07 h ILE 23 Cb 1.55 2.15 -0.12 0.00 -0.74 0.00 0.00 36.82 39.66 1c07 h ILE 23 CO 0.17 0.66 0.59 0.15 0.00 0.00 0.00 178.15 179.72 1c07 h PHE 24 N 0.41 1.01 0.00 1.37 3.57 0.32 2.96 116.94 126.57 1c07 h PHE 24 Ca -0.07 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 1c07 h PHE 24 Cb 1.46 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.91 1c07 h PHE 24 CO 0.08 0.07 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.08 1c07 h LEU 25 N 0.59 0.00 0.00 0.59 3.38 -1.56 0.18 115.31 118.49 1c07 h LEU 25 Ca 0.64 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.61 1c07 h LEU 25 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1c07 h LEU 25 CO -0.47 0.08 -1.00 0.29 0.09 0.00 0.00 178.44 177.43 1c07 n LYS 26 N -3.50 0.87 -0.09 1.13 5.02 0.83 -4.50 118.16 117.93 1c07 n LYS 26 Ca -0.02 -0.02 -0.13 0.00 -2.02 0.00 0.00 58.31 56.12 1c07 n LYS 26 Cb 0.21 -1.38 -0.07 0.00 -0.02 0.00 0.00 35.03 33.77 1c07 n LYS 26 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1c07 h THR 27 N 0.00 0.52 -0.64 -0.18 2.02 0.46 -3.41 112.91 111.68 1c07 h THR 27 Ca 0.00 -1.62 -0.24 0.00 0.77 0.00 0.00 66.41 65.31 1c07 h THR 27 Cb 0.49 1.22 -0.04 0.00 -1.74 0.00 0.00 68.15 68.08 1c07 h THR 27 CO 0.00 0.18 0.61 -0.62 0.37 0.00 0.00 175.52 176.06 1c07 s ASP 28 N -6.27 4.90 0.03 4.18 2.15 0.51 -4.28 116.67 117.89 1c07 s ASP 28 Ca -0.21 -0.60 0.23 0.00 0.43 0.00 0.00 52.55 52.41 1c07 s ASP 28 Cb 0.03 -2.56 0.16 0.00 -0.30 0.00 0.00 42.92 40.25 1c07 s ASP 28 CO 0.41 -2.98 1.14 0.29 -0.17 0.00 0.00 175.17 173.85 1c07 n LYS 29 N 8.82 0.15 0.01 4.34 5.02 -1.26 -4.12 118.16 131.12 1c07 n LYS 29 Ca 0.42 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.82 1c07 n LYS 29 Cb 0.46 -1.55 -0.01 0.00 -0.02 0.00 0.00 35.03 33.91 1c07 n LYS 29 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1c07 n ASP 30 N -1.75 0.69 -3.01 4.39 5.75 -1.26 -5.00 116.55 116.36 1c07 n ASP 30 Ca 0.03 -0.51 -0.08 0.00 -0.01 0.00 0.00 54.79 54.22 1c07 n ASP 30 Cb 0.39 0.88 0.04 0.00 -1.03 0.00 0.00 41.12 41.39 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 -1.72 -1.71 0.00 0.11 2.81 -1.26 -4.95 117.12 110.40 1c07 n MET 31 Ca 0.03 1.01 0.00 0.00 -1.81 0.00 0.00 57.70 56.93 1c07 n MET 31 Cb 0.39 -5.38 0.00 0.00 -0.71 0.00 0.00 33.22 27.51 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 -2.54 0.55 0.00 7.83 5.68 -1.26 -4.99 116.55 121.81 1c07 n ASP 32 Ca -0.04 -0.78 0.00 0.00 -0.50 0.00 0.00 54.79 53.47 1c07 n ASP 32 Cb 0.57 0.44 0.00 0.00 -1.14 0.00 0.00 41.12 40.99 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 0.44 3.33 3.03 6.12 0.00 -1.26 -5.06 105.19 111.79 1c07 n GLY 33 Ca 0.00 -1.08 -0.08 0.00 0.00 0.00 0.00 46.02 44.86 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 0.00 0.36 -0.13 1.61 -0.71 -1.26 -4.37 117.98 113.47 1c07 s PHE 34 Ca 0.00 -0.73 -0.22 0.00 -1.04 0.00 0.00 56.93 54.94 1c07 s PHE 34 Cb 0.00 -0.26 -0.03 0.00 -1.21 0.00 0.00 43.02 41.51 1c07 s PHE 34 CO 0.00 -0.27 0.65 0.54 -1.34 0.00 0.00 175.22 174.79 1c07 s VAL 35 N -2.46 5.05 0.43 -2.49 0.11 0.68 -4.35 120.40 117.36 1c07 s VAL 35 Ca -0.07 1.28 -0.21 0.00 -2.93 0.00 0.00 61.98 60.05 1c07 s VAL 35 Cb -0.03 -3.97 -0.11 0.00 -1.53 0.00 0.00 36.38 30.74 1c07 s VAL 35 CO -0.05 0.20 0.96 -0.55 -3.33 0.00 0.00 175.10 172.33 1c07 s SER 36 N 0.93 6.91 0.58 3.54 0.15 -1.26 0.26 113.70 124.82 1c07 s SER 36 Ca 0.32 1.73 0.40 0.00 0.70 0.00 0.00 55.95 59.10 1c07 s SER 36 Cb -0.16 -2.55 1.37 0.00 -1.71 0.00 0.00 66.02 62.97 1c07 s SER 36 CO 0.14 -0.38 1.45 1.23 1.20 0.00 0.00 173.24 176.88 1c07 h GLY 37 N 1.97 0.00 0.92 9.45 0.00 -1.93 0.62 103.07 114.10 1c07 h GLY 37 Ca -0.49 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.86 1c07 h GLY 37 CO 0.61 0.00 0.25 -2.00 0.00 0.00 0.00 176.54 175.41 1c07 h LEU 38 N 0.00 0.42 0.00 3.11 5.85 -1.95 1.87 115.31 124.60 1c07 h LEU 38 Ca 0.74 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.44 1c07 h LEU 38 Cb 3.40 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 44.34 1c07 h LEU 38 CO -0.01 0.30 -0.12 -0.33 -0.34 0.00 0.00 178.44 177.94 1c07 h GLU 39 N 0.52 0.00 0.00 1.25 5.08 -0.04 -3.20 114.58 118.18 1c07 h GLU 39 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1c07 h GLU 39 Cb -0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1c07 h GLU 39 CO -0.07 0.76 0.00 1.55 -1.00 0.00 0.00 179.01 180.25 1c07 n VAL 40 N -4.63 1.43 0.00 3.13 3.14 -1.03 -3.87 118.33 116.50 1c07 n VAL 40 Ca -0.10 0.38 0.00 0.00 -2.96 0.00 0.00 64.34 61.66 1c07 n VAL 40 Cb 0.39 -1.25 0.00 0.00 -1.06 0.00 0.00 33.84 31.92 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 -1.56 0.00 -0.39 1.45 0.63 0.63 0.16 116.66 117.58 1c07 n ARG 41 Ca 0.02 0.43 0.32 0.00 -0.92 0.00 0.00 57.85 57.69 1c07 n ARG 41 Cb 0.09 -1.07 0.59 0.00 0.45 0.00 0.00 32.46 32.52 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 0.15 0.01 -0.14 4.22 -1.78 1.96 114.58 119.00 1c07 h GLU 42 Ca 0.00 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.43 1c07 h GLU 42 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1c07 h GLU 42 CO 0.00 0.10 -0.00 0.82 -2.18 0.00 0.00 179.01 177.75 1c07 h ILE 43 N 0.16 1.08 -0.06 2.32 2.04 -1.22 0.70 117.51 122.54 1c07 h ILE 43 Ca 0.78 -0.27 -0.17 0.00 1.00 0.00 0.00 64.86 66.19 1c07 h ILE 43 Cb 2.23 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 39.57 1c07 h ILE 43 CO -0.48 0.07 -0.72 -0.26 0.00 0.00 0.00 178.15 176.76 1c07 h PHE 44 N -0.13 0.42 0.00 1.37 0.04 0.97 -2.60 116.94 117.00 1c07 h PHE 44 Ca -0.00 -0.18 0.00 0.00 2.80 0.00 0.00 57.97 60.58 1c07 h PHE 44 Cb 0.13 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.21 1c07 h PHE 44 CO -0.04 0.92 0.00 -0.07 -0.60 0.00 0.00 178.31 178.52 1c07 h LEU 45 N 0.21 0.00 0.00 1.54 3.38 0.29 -0.21 115.31 120.52 1c07 h LEU 45 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1c07 h LEU 45 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1c07 h LEU 45 CO 0.12 0.00 -0.39 2.29 0.09 0.00 0.00 178.44 180.55 1c07 n LYS 46 N -2.58 0.09 0.23 1.13 2.85 0.21 -3.68 118.16 116.42 1c07 n LYS 46 Ca -0.00 0.04 0.16 0.00 -1.05 0.00 0.00 58.31 57.45 1c07 n LYS 46 Cb 0.15 -1.57 0.68 0.00 -0.65 0.00 0.00 35.03 33.65 1c07 n LYS 46 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 1c07 h THR 47 N 0.00 0.00 0.00 0.58 1.35 -1.05 -3.45 112.91 110.34 1c07 h THR 47 Ca 0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1c07 h THR 47 Cb 0.58 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 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 -0.20 0.60 3.91 5.82 0.00 -1.24 -4.84 105.19 109.25 1c07 n GLY 48 Ca 0.01 -0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.44 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 3.00 0.00 0.99 1.02 -1.26 -5.08 118.68 117.34 1c07 s LEU 49 Ca 0.00 0.74 0.00 0.00 0.02 0.00 0.00 54.13 54.89 1c07 s LEU 49 Cb 0.00 -3.48 0.00 0.00 0.02 0.00 0.00 46.19 42.73 1c07 s LEU 49 CO 0.00 -1.33 0.00 -0.81 0.02 0.00 0.00 176.35 174.23 1c07 n PRO 50 N -2.82 1.81 0.00 1.29 -0.04 -1.26 -4.96 135.00 129.03 1c07 n PRO 50 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1c07 n PRO 50 Cb 0.59 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.05 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 -0.31 3.54 7.64 -1.26 -4.07 113.62 119.16 1c07 n SER 51 Ca 0.00 0.13 -0.08 0.00 1.01 0.00 0.00 58.87 59.92 1c07 n SER 51 Cb 0.00 -0.46 -0.05 0.00 -1.01 0.00 0.00 64.21 62.69 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 0.00 0.03 -0.79 0.44 2.02 -1.98 0.25 112.91 112.88 1c07 h THR 52 Ca 0.00 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.32 1c07 h THR 52 Cb 0.00 0.03 -0.14 0.00 -1.74 0.00 0.00 68.15 66.30 1c07 h THR 52 CO 0.00 0.00 -0.29 0.25 0.37 0.00 0.00 175.52 175.85 1c07 h LEU 53 N -0.12 -1.04 -0.42 2.58 5.85 -1.98 0.97 115.31 121.15 1c07 h LEU 53 Ca 0.20 0.25 0.04 0.00 0.84 0.00 0.00 57.88 59.21 1c07 h LEU 53 Cb 0.52 0.59 -0.04 0.00 0.37 0.00 0.00 40.66 42.10 1c07 h LEU 53 CO -0.83 -0.29 0.21 0.25 -0.34 0.00 0.00 178.44 177.44 1c07 h LEU 54 N -0.05 0.29 -1.33 2.25 5.85 -1.12 1.49 115.31 122.68 1c07 h LEU 54 Ca 0.33 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 59.03 1c07 h LEU 54 Cb 0.58 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1c07 h LEU 54 CO -0.82 0.21 -0.05 0.00 -0.34 0.00 0.00 178.44 177.44 1c07 h ALA 55 N 1.23 1.45 -0.11 1.25 0.00 0.21 0.17 119.26 123.47 1c07 h ALA 55 Ca 0.18 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1c07 h ALA 55 Cb 0.10 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1c07 h ALA 55 CO -0.13 0.39 -0.46 1.25 0.00 0.00 0.00 179.25 180.30 1c07 h HIS 56 N 0.37 0.67 0.00 0.00 -0.00 0.28 -2.67 115.15 113.80 1c07 h HIS 56 Ca 0.08 -0.29 -0.01 0.00 -0.00 0.00 0.00 60.37 60.15 1c07 h HIS 56 Cb 0.33 -0.11 -0.00 0.00 -0.00 0.00 0.00 27.41 27.63 1c07 h HIS 56 CO 0.01 1.05 -0.07 0.82 -0.00 0.00 0.00 177.93 179.74 1c07 h ILE 57 N 0.10 0.46 0.15 6.26 2.04 0.25 -2.10 117.51 124.67 1c07 h ILE 57 Ca -0.03 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 1c07 h ILE 57 Cb 1.09 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 1c07 h ILE 57 CO 0.10 0.07 -0.07 -0.25 0.00 0.00 0.00 178.15 177.99 1c07 h TRP 58 N 0.00 -0.19 -0.30 1.37 2.91 -0.33 -1.53 115.95 117.87 1c07 h TRP 58 Ca -0.00 -0.00 -0.05 0.00 1.13 0.00 0.00 58.89 59.97 1c07 h TRP 58 Cb 0.22 0.06 -0.02 0.00 -0.51 0.00 0.00 29.16 28.92 1c07 h TRP 58 CO 0.00 0.14 -0.02 1.03 -1.03 0.00 0.00 178.44 178.56 1c07 h SER 59 N -0.54 0.43 0.02 2.65 0.87 -1.32 1.43 113.55 117.09 1c07 h SER 59 Ca -0.02 -0.08 -0.05 0.00 -1.23 0.00 0.00 61.79 60.41 1c07 h SER 59 Cb 0.41 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1c07 h SER 59 CO 0.03 0.51 -0.13 0.25 -0.53 0.00 0.00 176.83 176.97 1c07 h LEU 60 N 0.45 0.24 0.03 2.23 5.85 -1.22 -3.13 115.31 119.76 1c07 h LEU 60 Ca 0.10 -0.05 -0.36 0.00 0.84 0.00 0.00 57.88 58.40 1c07 h LEU 60 Cb 0.32 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 1c07 h LEU 60 CO 0.01 0.40 -2.22 0.00 -0.34 0.00 0.00 178.44 176.29 1c07 n ASP 62 N -3.17 3.09 0.19 0.00 2.03 0.48 -4.48 116.55 114.69 1c07 n ASP 62 Ca -0.35 -2.13 0.06 0.00 0.52 0.00 0.00 54.79 52.90 1c07 n ASP 62 Cb 1.05 -0.82 0.56 0.00 -0.72 0.00 0.00 41.12 41.20 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 3.29 1.05 0.00 5.18 1.35 -1.79 -0.32 112.91 121.67 1c07 h THR 63 Ca 0.27 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.98 1c07 h THR 63 Cb 0.27 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 67.62 1c07 h THR 63 CO 1.03 0.05 0.05 0.11 -0.25 0.00 0.00 175.52 176.52 1c07 h LYS 64 N 0.14 0.00 -6.72 4.72 6.56 -1.91 -3.45 116.57 115.90 1c07 h LYS 64 Ca 0.04 0.00 -0.55 0.00 -1.06 0.00 0.00 60.65 59.08 1c07 h LYS 64 Cb 0.04 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 31.65 1c07 h LYS 64 CO -0.00 0.00 -0.96 -3.47 -2.06 0.00 0.00 179.45 172.96 1c07 n ASP 65 N -2.27 -2.19 -0.01 0.86 2.03 -0.13 -4.85 116.55 109.99 1c07 n ASP 65 Ca -0.01 -1.17 -0.01 0.00 0.52 0.00 0.00 54.79 54.12 1c07 n ASP 65 Cb 0.09 -2.33 -0.01 0.00 -0.72 0.00 0.00 41.12 38.15 1c07 n ASP 65 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1c07 n GLY 67 N 3.42 0.52 0.00 0.00 0.00 -1.26 -5.13 105.19 102.73 1c07 n GLY 67 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 0.03 -3.96 1.61 5.02 -1.26 -4.56 118.16 115.03 1c07 n LYS 68 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 1c07 n LYS 68 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 34.88 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 3.24 0.00 -0.35 1.43 0.73 -4.77 118.68 118.97 1c07 s LEU 69 Ca 0.00 -0.23 -0.06 0.00 -1.03 0.00 0.00 54.13 52.81 1c07 s LEU 69 Cb 0.00 -1.84 0.08 0.00 0.03 0.00 0.00 46.19 44.47 1c07 s LEU 69 CO 0.00 0.03 0.36 -1.20 0.23 0.00 0.00 176.35 175.76 1c07 n SER 70 N 4.51 -0.80 0.00 2.29 7.64 -1.26 0.24 113.62 126.24 1c07 n SER 70 Ca -0.17 -0.87 0.00 0.00 1.01 0.00 0.00 58.87 58.84 1c07 n SER 70 Cb 0.51 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 1c07 n SER 70 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1c07 n LYS 71 N -2.26 0.00 -0.34 1.43 4.81 -1.26 -0.96 118.16 119.58 1c07 n LYS 71 Ca 0.05 0.00 0.25 0.00 -0.87 0.00 0.00 58.31 57.74 1c07 n LYS 71 Cb 0.18 -0.42 0.53 0.00 0.02 0.00 0.00 35.03 35.34 1c07 n LYS 71 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1c07 h ASP 72 N 0.00 0.41 -0.51 3.14 5.19 -1.97 0.65 116.42 123.33 1c07 h ASP 72 Ca 0.00 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 1c07 h ASP 72 Cb 0.00 0.03 -0.03 0.00 0.18 0.00 0.00 39.33 39.52 1c07 h ASP 72 CO 0.00 0.04 0.33 1.56 -3.12 0.00 0.00 179.24 178.05 1c07 h GLN 73 N 0.34 0.67 -0.06 3.56 1.08 -1.87 -0.63 115.11 118.20 1c07 h GLN 73 Ca 0.63 -0.04 -0.13 0.00 -1.45 0.00 0.00 58.65 57.66 1c07 h GLN 73 Cb 1.68 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 28.95 1c07 h GLN 73 CO -0.32 0.45 -0.55 0.35 -0.95 0.00 0.00 178.83 177.81 1c07 h PHE 74 N 0.69 0.24 0.00 2.96 3.57 0.21 -2.21 116.94 122.40 1c07 h PHE 74 Ca 0.19 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1c07 h PHE 74 Cb -0.08 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.62 1c07 h PHE 74 CO 0.00 0.70 0.00 0.00 -2.23 0.00 0.00 178.31 176.78 1c07 n ALA 75 N -2.46 1.69 -0.00 2.41 0.00 -0.27 -2.64 120.51 119.24 1c07 n ALA 75 Ca -0.02 -0.05 -0.17 0.00 0.00 0.00 0.00 53.44 53.19 1c07 n ALA 75 Cb 0.57 -1.22 -0.14 0.00 0.00 0.00 0.00 19.45 18.66 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 -1.41 2.10 -0.18 0.00 0.00 -0.83 -3.84 117.00 112.84 1c07 n LEU 76 Ca 0.05 0.27 -0.02 0.00 0.00 0.00 0.00 56.01 56.30 1c07 n LEU 76 Cb 0.14 -0.72 0.07 0.00 0.00 0.00 0.00 43.42 42.91 1c07 n LEU 76 CO 0.12 0.71 0.98 0.00 0.00 0.00 0.00 177.39 179.20 1c07 h ALA 77 N 0.36 0.67 -0.43 1.96 0.00 -1.51 -0.30 119.26 120.00 1c07 h ALA 77 Ca -0.39 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1c07 h ALA 77 Cb 2.03 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.82 1c07 h ALA 77 CO 0.08 -0.18 0.26 0.74 0.00 0.00 0.00 179.25 180.15 1c07 h PHE 78 N 0.40 0.55 -0.10 0.00 -1.00 -1.73 -1.05 116.94 114.02 1c07 h PHE 78 Ca 0.26 0.01 0.03 0.00 2.81 0.00 0.00 57.97 61.07 1c07 h PHE 78 Cb 0.27 -0.18 -0.00 0.00 3.61 0.00 0.00 35.95 39.64 1c07 h PHE 78 CO -0.15 0.37 0.36 1.25 -1.61 0.00 0.00 178.31 178.53 1c07 h HIS 79 N 0.59 0.00 0.00 -0.55 2.76 -1.15 0.47 115.15 117.27 1c07 h HIS 79 Ca 0.16 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.16 1c07 h HIS 79 Cb -0.03 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 28.90 1c07 h HIS 79 CO 0.00 0.00 -2.03 1.28 -1.30 0.00 0.00 177.93 175.88 1c07 n LEU 80 N -3.09 0.16 0.20 0.26 4.77 -0.42 -4.21 117.00 114.67 1c07 n LEU 80 Ca 0.00 0.07 -0.09 0.00 -0.03 0.00 0.00 56.01 55.97 1c07 n LEU 80 Cb 0.44 0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 41.70 1c07 n LEU 80 CO 0.17 0.21 0.27 0.40 -1.33 0.00 0.00 177.39 177.11 1c07 h ILE 81 N 0.00 0.00 -1.71 -0.08 2.04 0.12 -3.05 117.51 114.83 1c07 h ILE 81 Ca -0.24 -0.40 0.52 0.00 1.00 0.00 0.00 64.86 65.74 1c07 h ILE 81 Cb 1.58 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.56 1c07 h ILE 81 CO 0.02 0.00 1.19 -1.28 0.00 0.00 0.00 178.15 178.08 1c07 h SER 82 N -0.96 0.08 1.14 1.72 0.87 -1.39 2.23 113.55 117.24 1c07 h SER 82 Ca -0.06 0.05 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 1c07 h SER 82 Cb 0.43 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 1c07 h SER 82 CO 0.09 -0.08 -0.38 1.56 -0.53 0.00 0.00 176.83 177.49 1c07 h GLN 83 N 0.01 0.00 0.00 2.24 7.50 -1.71 -3.03 115.11 120.13 1c07 h GLN 83 Ca 0.89 0.00 0.00 0.00 0.50 0.00 0.00 58.65 60.04 1c07 h GLN 83 Cb 3.31 0.00 0.00 0.00 0.05 0.00 0.00 27.48 30.84 1c07 h GLN 83 CO -0.16 0.38 -0.91 1.17 -1.50 0.00 0.00 178.83 177.81 1c07 n LYS 84 N -3.37 0.48 -0.05 1.46 3.00 0.75 0.28 118.16 120.72 1c07 n LYS 84 Ca 0.01 0.10 -0.03 0.00 -0.00 0.00 0.00 58.31 58.39 1c07 n LYS 84 Cb 0.58 -1.76 -0.01 0.00 0.00 0.00 0.00 35.03 33.83 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 0.00 0.00 3.14 3.38 -1.32 -3.25 115.31 117.26 1c07 h LEU 85 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1c07 h LEU 85 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1c07 h LEU 85 CO 0.00 0.52 -1.26 -0.38 0.09 0.00 0.00 178.44 177.41 1c07 n ILE 86 N -3.96 0.45 0.58 1.22 2.08 -1.15 -4.21 119.36 114.37 1c07 n ILE 86 Ca -0.04 -0.53 0.06 0.00 0.56 0.00 0.00 62.75 62.80 1c07 n ILE 86 Cb 0.16 -0.24 -0.04 0.00 -0.75 0.00 0.00 39.64 38.78 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 -2.55 2.52 -1.44 0.38 4.76 -1.13 -4.96 118.16 115.74 1c07 n LYS 87 Ca -0.01 -0.28 -0.12 0.00 -2.87 0.00 0.00 58.31 55.03 1c07 n LYS 87 Cb 0.55 -1.12 -0.05 0.00 -1.84 0.00 0.00 35.03 32.58 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 1.18 0.96 3.77 0.72 0.00 0.21 -4.83 105.19 107.20 1c07 n GLY 88 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.04 4.98 0.98 -0.61 1.01 0.81 -4.83 121.20 121.50 1c07 s ILE 89 Ca 0.00 1.11 -0.12 0.00 0.00 0.00 0.00 60.65 61.63 1c07 s ILE 89 Cb 0.00 -3.87 0.18 0.00 0.01 0.00 0.00 42.46 38.78 1c07 s ILE 89 CO 0.00 0.43 1.11 1.51 0.00 0.00 0.00 174.94 177.99 1c07 s ASP 90 N -0.21 2.82 0.65 3.58 -4.77 -1.26 -2.99 116.67 114.50 1c07 s ASP 90 Ca 0.28 1.10 -0.14 0.00 -3.30 0.00 0.00 52.55 50.49 1c07 s ASP 90 Cb -0.17 -1.74 -0.00 0.00 -1.09 0.00 0.00 42.92 39.92 1c07 s ASP 90 CO 0.15 -3.00 1.09 -2.16 0.70 0.00 0.00 175.17 171.95 1c07 s PRO 91 N -5.06 2.90 -0.55 2.11 0.04 -1.26 -4.85 135.00 128.32 1c07 s PRO 91 Ca 0.65 1.28 -0.04 0.00 0.04 0.00 0.00 61.00 62.94 1c07 s PRO 91 Cb -0.17 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 1c07 s PRO 91 CO 0.56 -1.15 1.74 -0.35 0.04 0.00 0.00 177.00 177.84 1c07 n PRO 92 N -2.47 1.33 0.00 0.56 -0.04 -1.26 -4.84 135.00 128.28 1c07 n PRO 92 Ca 0.10 -1.06 0.00 0.00 -0.04 0.00 0.00 63.50 62.49 1c07 n PRO 92 Cb 0.52 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 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 4.30 0.00 -2.82 0.54 8.25 -1.26 -4.42 115.22 119.81 1c07 n HIS 93 Ca 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 1c07 n HIS 93 Cb 0.11 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.22 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 -1.64 1.59 0.24 -1.26 -4.87 118.33 112.39 1c07 n VAL 94 Ca 0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.00 1c07 n VAL 94 Cb 0.00 -0.65 0.07 0.00 -1.47 0.00 0.00 33.84 31.78 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 2.82 0.16 1.34 2.01 -1.26 -4.96 118.68 118.79 1c07 s LEU 95 Ca 0.00 1.35 -0.02 0.00 0.01 0.00 0.00 54.13 55.47 1c07 s LEU 95 Cb 0.00 -4.09 -0.04 0.00 0.01 0.00 0.00 46.19 42.08 1c07 s LEU 95 CO 0.00 -1.66 0.10 0.42 1.01 0.00 0.00 176.35 176.22 1c07 s THR 96 N -3.17 0.06 0.27 5.49 -4.23 -1.26 -5.01 115.64 107.79 1c07 s THR 96 Ca 0.59 -1.91 0.19 0.00 -1.18 0.00 0.00 61.69 59.39 1c07 s THR 96 Cb -0.13 -2.19 0.16 0.00 1.34 0.00 0.00 72.50 71.67 1c07 s THR 96 CO 0.54 -0.29 1.83 1.55 -0.54 0.00 0.00 174.62 177.71 1c07 h PRO 97 N 2.76 0.00 0.00 3.99 0.13 -1.97 -0.28 132.00 136.62 1c07 h PRO 97 Ca -0.35 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1c07 h PRO 97 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1c07 h PRO 97 CO 0.56 0.31 -0.01 0.93 -0.23 0.00 0.00 178.00 179.56 1c07 h GLU 98 N 0.00 0.00 -0.01 0.86 3.07 -1.96 -3.07 114.58 113.47 1c07 h GLU 98 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1c07 h GLU 98 Cb 0.71 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.62 1c07 h GLU 98 CO 0.04 0.01 -0.57 -0.12 -1.40 0.00 0.00 179.01 176.98 1c07 n MET 99 N -3.10 0.84 -3.52 2.33 1.56 -0.78 -0.38 117.12 114.07 1c07 n MET 99 Ca 0.04 -0.67 -0.42 0.00 -0.27 0.00 0.00 57.70 56.38 1c07 n MET 99 Cb 0.52 -1.49 -0.10 0.00 2.15 0.00 0.00 33.22 34.31 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 -2.62 4.81 0.24 1.12 1.01 -0.19 -4.84 121.20 120.73 1c07 s ILE 100 Ca 0.17 -0.98 0.11 0.00 0.00 0.00 0.00 60.65 59.94 1c07 s ILE 100 Cb 0.18 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.83 1c07 s ILE 100 CO 0.64 -0.39 1.58 1.55 0.00 0.00 0.00 174.94 178.32 1c07 h PRO 101 N 8.55 0.00 0.00 2.79 0.13 -1.87 -3.46 132.00 138.14 1c07 h PRO 101 Ca -0.26 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.84 1c07 h PRO 101 Cb 1.10 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.25 1c07 h PRO 101 CO 0.75 0.64 0.01 -0.35 -0.23 0.00 0.00 178.00 178.82 1c07 n PRO 102 N -3.72 -0.99 0.00 1.56 -0.04 -1.26 -5.13 135.00 125.41 1c07 n PRO 102 Ca -0.01 -0.14 0.06 0.00 -0.04 0.00 0.00 63.50 63.37 1c07 n PRO 102 Cb 0.64 -0.12 0.37 0.00 -0.04 0.00 0.00 33.50 34.35 1c07 n PRO 102 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91