#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 -0.27 0.31 -1.42 -0.00 -1.26 -4.95 118.94 111.35 1c07 s TRP 10 Ca 0.00 0.54 0.07 0.00 -0.00 0.00 0.00 56.10 56.71 1c07 s TRP 10 Cb 0.00 0.16 0.81 0.00 -0.00 0.00 0.00 33.47 34.44 1c07 s TRP 10 CO 0.00 -0.14 1.74 -0.39 -0.00 0.00 0.00 176.95 178.17 1c07 h VAL 11 N 5.02 0.60 -2.76 5.86 -1.51 -1.31 -3.40 116.25 118.75 1c07 h VAL 11 Ca -0.26 -0.22 -0.61 0.00 -1.23 0.00 0.00 66.70 64.38 1c07 h VAL 11 Cb 1.17 -0.09 -0.14 0.00 -2.13 0.00 0.00 31.29 30.10 1c07 h VAL 11 CO 0.21 0.12 -0.72 0.54 -1.23 0.00 0.00 177.57 176.48 1c07 s VAL 12 N -5.82 3.04 0.00 7.19 0.11 -1.26 -4.97 120.40 118.69 1c07 s VAL 12 Ca -0.11 -1.86 0.00 0.00 -2.93 0.00 0.00 61.98 57.08 1c07 s VAL 12 Cb 0.26 -2.54 0.00 0.00 -1.53 0.00 0.00 36.38 32.57 1c07 s VAL 12 CO 0.80 -0.20 0.00 -1.20 -3.33 0.00 0.00 175.10 171.16 1c07 n SER 13 N -0.21 0.00 -2.05 3.54 7.64 -1.26 -4.89 113.62 116.39 1c07 n SER 13 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.79 1c07 n SER 13 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 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 2.81 -0.16 1.43 -0.04 -1.26 -3.50 135.00 134.27 1c07 n PRO 14 Ca 0.00 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.49 1c07 n PRO 14 Cb 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 33.53 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 0.12 0.02 0.55 0.00 -1.26 0.20 120.51 117.14 1c07 n ALA 15 Ca 0.00 0.50 -0.14 0.00 0.00 0.00 0.00 53.44 53.80 1c07 n ALA 15 Cb 0.00 -0.31 -0.09 0.00 0.00 0.00 0.00 19.45 19.05 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 -0.56 -0.70 0.00 5.08 -1.98 1.11 114.58 117.52 1c07 h GLU 16 Ca 0.23 0.04 0.16 0.00 -1.00 0.00 0.00 59.36 58.78 1c07 h GLU 16 Cb 0.36 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 1c07 h GLU 16 CO -0.47 -0.37 0.48 -0.22 -1.00 0.00 0.00 179.01 177.43 1c07 h LYS 17 N -0.58 0.28 0.02 2.33 3.11 -0.29 0.24 116.57 121.69 1c07 h LYS 17 Ca 0.02 -0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1c07 h LYS 17 Cb 0.65 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.81 1c07 h LYS 17 CO -0.37 0.19 -0.01 0.00 -2.81 0.00 0.00 179.45 176.44 1c07 h ALA 18 N 1.66 -0.02 -0.49 5.00 0.00 -0.48 0.83 119.26 125.77 1c07 h ALA 18 Ca 0.34 -0.32 0.14 0.00 0.00 0.00 0.00 54.91 55.07 1c07 h ALA 18 Cb 0.93 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1c07 h ALA 18 CO -0.08 -0.18 0.38 -0.22 0.00 0.00 0.00 179.25 179.15 1c07 h LYS 19 N -0.68 0.00 0.00 0.00 3.64 0.22 -1.66 116.57 118.09 1c07 h LYS 19 Ca -0.00 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.18 1c07 h LYS 19 Cb 0.65 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 1c07 h LYS 19 CO 0.00 0.00 -1.17 0.66 -2.27 0.00 0.00 179.45 176.67 1c07 n TYR 20 N -4.22 0.94 -0.41 1.91 4.01 -0.03 -3.34 117.16 116.02 1c07 n TYR 20 Ca 0.09 0.41 0.35 0.00 -0.16 0.00 0.00 57.90 58.58 1c07 n TYR 20 Cb 0.59 -1.02 0.66 0.00 -0.31 0.00 0.00 39.34 39.26 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 0.21 0.62 7.72 1.82 0.10 2.14 116.42 128.03 1c07 h ASP 21 Ca -0.29 0.07 -0.20 0.00 -0.39 0.00 0.00 57.03 56.22 1c07 h ASP 21 Cb 1.15 0.05 -0.01 0.00 0.68 0.00 0.00 39.33 41.20 1c07 h ASP 21 CO -0.18 -0.04 -0.89 -0.33 -1.61 0.00 0.00 179.24 176.19 1c07 h GLU 22 N 0.14 0.18 0.10 0.28 4.39 -1.46 -3.26 114.58 114.95 1c07 h GLU 22 Ca 0.71 -0.20 -0.24 0.00 0.34 0.00 0.00 59.36 59.96 1c07 h GLU 22 Cb 2.35 0.06 0.02 0.00 -0.10 0.00 0.00 28.75 31.09 1c07 h GLU 22 CO -0.23 0.95 -1.02 0.82 -1.16 0.00 0.00 179.01 178.38 1c07 h ILE 23 N 0.09 1.36 -1.10 3.13 2.04 0.31 -3.16 117.51 120.18 1c07 h ILE 23 Ca -0.04 -2.38 0.31 0.00 1.00 0.00 0.00 64.86 63.74 1c07 h ILE 23 Cb 1.53 2.77 -0.07 0.00 -0.74 0.00 0.00 36.82 40.31 1c07 h ILE 23 CO 0.13 0.71 0.76 0.15 0.00 0.00 0.00 178.15 179.90 1c07 h PHE 24 N 0.07 0.27 0.00 1.37 3.57 0.35 3.00 116.94 125.57 1c07 h PHE 24 Ca -0.15 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.30 1c07 h PHE 24 Cb 1.73 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 40.38 1c07 h PHE 24 CO 0.14 0.02 -0.25 -0.07 -2.23 0.00 0.00 178.31 175.92 1c07 h LEU 25 N 0.16 0.00 0.00 0.59 3.38 -1.59 0.70 115.31 118.55 1c07 h LEU 25 Ca 0.57 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.54 1c07 h LEU 25 Cb 1.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.66 1c07 h LEU 25 CO -0.13 0.25 -1.26 0.29 0.09 0.00 0.00 178.44 177.67 1c07 n LYS 26 N -4.09 0.22 -0.08 1.13 5.02 0.86 -4.48 118.16 116.73 1c07 n LYS 26 Ca -0.02 -0.05 -0.12 0.00 -2.02 0.00 0.00 58.31 56.10 1c07 n LYS 26 Cb 0.31 -1.50 -0.06 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 0.39 -0.04 -0.18 2.02 0.38 -3.40 112.91 112.09 1c07 h THR 27 Ca 0.00 -1.50 -0.52 0.00 0.77 0.00 0.00 66.41 65.16 1c07 h THR 27 Cb 0.63 0.95 0.10 0.00 -1.74 0.00 0.00 68.15 68.09 1c07 h THR 27 CO 0.00 0.13 1.42 -0.67 0.37 0.00 0.00 175.52 176.77 1c07 n ASP 28 N -4.54 1.53 0.24 4.18 2.03 0.24 -4.15 116.55 116.07 1c07 n ASP 28 Ca -0.18 -2.55 0.10 0.00 0.52 0.00 0.00 54.79 52.68 1c07 n ASP 28 Cb 0.44 -0.87 0.53 0.00 -0.72 0.00 0.00 41.12 40.49 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 9.67 0.00 -0.14 -0.67 1.79 -1.83 0.72 116.57 126.11 1c07 h LYS 29 Ca 0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 1c07 h LYS 29 Cb 0.74 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 1c07 h LYS 29 CO 1.86 0.00 0.00 -0.25 -1.08 0.00 0.00 179.45 179.98 1c07 n ASP 30 N -2.42 2.89 -4.28 0.86 9.92 -1.26 -4.95 116.55 117.31 1c07 n ASP 30 Ca -0.01 -1.93 -0.34 0.00 -0.53 0.00 0.00 54.79 51.98 1c07 n ASP 30 Cb 0.38 -0.08 -0.06 0.00 -0.64 0.00 0.00 41.12 40.72 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 1.20 -1.88 -0.56 -1.24 2.81 0.25 -4.81 117.12 112.89 1c07 n MET 31 Ca 0.16 0.23 0.03 0.00 -1.81 0.00 0.00 57.70 56.31 1c07 n MET 31 Cb 0.56 -4.40 0.20 0.00 -0.71 0.00 0.00 33.22 28.87 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 -2.75 2.47 -0.38 7.83 5.68 -1.26 -4.91 116.55 123.22 1c07 n ASP 32 Ca -0.13 -3.57 -0.05 0.00 -0.50 0.00 0.00 54.79 50.54 1c07 n ASP 32 Cb 0.59 -0.56 -0.02 0.00 -1.14 0.00 0.00 41.12 39.99 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 -1.08 0.54 2.85 6.12 0.00 -1.26 -4.89 105.19 107.47 1c07 n GLY 33 Ca 0.24 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.57 -0.79 0.07 1.61 0.08 -1.26 -0.04 117.98 116.08 1c07 s PHE 34 Ca 0.00 0.17 -0.20 0.00 0.12 0.00 0.00 56.93 57.02 1c07 s PHE 34 Cb 0.00 -0.26 -0.07 0.00 -0.57 0.00 0.00 43.02 42.12 1c07 s PHE 34 CO 0.00 -0.94 0.59 0.54 -0.10 0.00 0.00 175.22 175.31 1c07 s VAL 35 N 2.47 4.73 0.18 -0.44 0.11 0.14 -4.63 120.40 122.96 1c07 s VAL 35 Ca 0.10 1.26 -0.04 0.00 -2.93 0.00 0.00 61.98 60.36 1c07 s VAL 35 Cb -0.13 -3.92 -0.05 0.00 -1.53 0.00 0.00 36.38 30.75 1c07 s VAL 35 CO -0.30 0.54 0.41 -0.55 -3.33 0.00 0.00 175.10 171.87 1c07 s SER 36 N -1.01 6.46 0.60 3.54 0.15 -1.26 0.25 113.70 122.43 1c07 s SER 36 Ca 0.30 0.56 0.27 0.00 0.70 0.00 0.00 55.95 57.78 1c07 s SER 36 Cb -0.20 -2.08 1.12 0.00 -1.71 0.00 0.00 66.02 63.16 1c07 s SER 36 CO 0.19 -0.01 1.52 1.23 1.20 0.00 0.00 173.24 177.37 1c07 h GLY 37 N 2.44 0.00 2.00 9.45 0.00 -1.94 0.93 103.07 115.95 1c07 h GLY 37 Ca -0.47 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.78 1c07 h GLY 37 CO 0.70 0.00 -0.37 1.41 0.00 0.00 0.00 176.54 178.28 1c07 h LEU 38 N 0.00 0.00 0.00 3.11 -0.00 -1.95 0.23 115.31 116.71 1c07 h LEU 38 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.26 1c07 h LEU 38 Cb 2.25 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.91 1c07 h LEU 38 CO -0.00 0.37 -0.46 -0.62 -0.00 0.00 0.00 178.44 177.73 1c07 n GLU 39 N -4.09 0.38 0.29 1.13 1.02 0.32 -3.93 120.64 115.76 1c07 n GLU 39 Ca -0.02 0.45 0.13 0.00 -0.02 0.00 0.00 57.16 57.71 1c07 n GLU 39 Cb 0.41 -1.51 0.70 0.00 -0.02 0.00 0.00 31.44 31.02 1c07 n GLU 39 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1c07 h VAL 40 N -0.83 0.00 0.00 2.62 3.04 -1.59 -3.08 116.25 116.41 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 0.46 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 30.31 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 -2.68 0.00 -0.30 4.17 0.63 0.82 0.28 116.66 119.58 1c07 n ARG 41 Ca -0.02 0.66 0.08 0.00 -0.92 0.00 0.00 57.85 57.65 1c07 n ARG 41 Cb 0.37 -1.21 0.19 0.00 0.45 0.00 0.00 32.46 32.25 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 0.04 -0.91 -0.14 5.08 -1.77 2.59 114.58 119.48 1c07 h GLU 42 Ca 0.00 -0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.45 1c07 h GLU 42 Cb 0.00 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.17 1c07 h GLU 42 CO 0.00 0.03 0.55 0.82 -1.00 0.00 0.00 179.01 179.41 1c07 h ILE 43 N 0.04 0.95 0.00 3.13 2.04 -1.03 0.56 117.51 123.21 1c07 h ILE 43 Ca 0.48 -0.32 -0.15 0.00 1.00 0.00 0.00 64.86 65.87 1c07 h ILE 43 Cb 0.87 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1c07 h ILE 43 CO -0.82 0.17 -0.71 -0.26 0.00 0.00 0.00 178.15 176.52 1c07 h PHE 44 N 0.92 0.00 0.00 1.37 -1.00 1.89 -2.97 116.94 117.15 1c07 h PHE 44 Ca 0.43 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 61.16 1c07 h PHE 44 Cb 0.36 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.91 1c07 h PHE 44 CO -0.03 0.71 -0.25 -0.07 -1.61 0.00 0.00 178.31 177.06 1c07 h LEU 45 N 0.00 0.00 0.00 1.54 3.38 0.61 -2.55 115.31 118.29 1c07 h LEU 45 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1c07 h LEU 45 Cb 1.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.16 1c07 h LEU 45 CO 0.09 0.25 -0.09 0.29 0.09 0.00 0.00 178.44 179.08 1c07 n LYS 46 N -3.32 0.21 0.16 1.13 5.02 0.17 -3.82 118.16 117.71 1c07 n LYS 46 Ca 0.01 0.15 -0.14 0.00 -2.02 0.00 0.00 58.31 56.31 1c07 n LYS 46 Cb 0.49 -1.73 -0.08 0.00 -0.02 0.00 0.00 35.03 33.69 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 0.72 0.00 -0.18 1.35 -1.39 -3.48 112.91 109.93 1c07 h THR 47 Ca 0.00 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1c07 h THR 47 Cb 0.69 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 1c07 h THR 47 CO 0.00 0.09 0.00 0.61 -0.25 0.00 0.00 175.52 175.97 1c07 n GLY 48 N -0.55 1.60 3.91 5.82 0.00 -1.25 -4.87 105.19 109.85 1c07 n GLY 48 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 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 4.13 0.52 0.99 2.01 -1.26 -5.06 118.68 120.01 1c07 s LEU 49 Ca 0.00 0.65 -0.21 0.00 0.01 0.00 0.00 54.13 54.58 1c07 s LEU 49 Cb 0.00 -3.44 -0.06 0.00 0.01 0.00 0.00 46.19 42.70 1c07 s LEU 49 CO 0.00 -0.12 1.22 -2.16 1.01 0.00 0.00 176.35 176.30 1c07 s PRO 50 N -3.34 3.35 0.07 1.29 0.04 -1.26 -4.74 135.00 130.41 1c07 s PRO 50 Ca 0.43 1.90 -0.17 0.00 0.04 0.00 0.00 61.00 63.19 1c07 s PRO 50 Cb -0.11 -2.21 -0.06 0.00 0.04 0.00 0.00 34.50 32.17 1c07 s PRO 50 CO 0.28 -0.92 1.29 0.66 0.04 0.00 0.00 177.00 178.36 1c07 h SER 51 N 1.51 -1.03 -0.77 6.66 4.64 -1.98 0.02 113.55 122.60 1c07 h SER 51 Ca -0.50 0.14 0.09 0.00 -0.47 0.00 0.00 61.79 61.05 1c07 h SER 51 Cb 1.28 0.43 -0.12 0.00 -0.31 0.00 0.00 62.40 63.68 1c07 h SER 51 CO 0.58 -0.20 -0.51 0.74 -0.87 0.00 0.00 176.83 176.57 1c07 h THR 52 N -0.18 0.02 -0.35 2.95 2.02 -1.98 0.29 112.91 115.68 1c07 h THR 52 Ca 0.05 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.30 1c07 h THR 52 Cb 0.30 0.02 -0.07 0.00 -1.74 0.00 0.00 68.15 66.67 1c07 h THR 52 CO -0.35 0.00 -0.10 0.25 0.37 0.00 0.00 175.52 175.69 1c07 h LEU 53 N -0.14 -0.37 -1.06 2.58 5.85 -1.74 1.33 115.31 121.77 1c07 h LEU 53 Ca 0.18 0.11 0.07 0.00 0.84 0.00 0.00 57.88 59.08 1c07 h LEU 53 Cb 0.52 0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.72 1c07 h LEU 53 CO -0.82 -0.13 0.63 -0.07 -0.34 0.00 0.00 178.44 177.71 1c07 h LEU 54 N -0.02 0.98 -0.59 2.25 3.38 0.10 1.99 115.31 123.41 1c07 h LEU 54 Ca 0.17 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 58.00 1c07 h LEU 54 Cb 0.28 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1c07 h LEU 54 CO -0.38 0.62 -0.65 0.00 0.09 0.00 0.00 178.44 178.12 1c07 h ALA 55 N 1.48 0.80 0.00 1.53 0.00 0.14 0.23 119.26 123.44 1c07 h ALA 55 Ca 0.42 -0.58 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 1c07 h ALA 55 Cb 0.21 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1c07 h ALA 55 CO -0.17 0.77 -0.63 1.25 0.00 0.00 0.00 179.25 180.46 1c07 h HIS 56 N 0.15 0.00 0.00 0.00 -0.00 0.46 -2.68 115.15 113.07 1c07 h HIS 56 Ca -0.01 0.00 -0.15 0.00 -0.00 0.00 0.00 60.37 60.20 1c07 h HIS 56 Cb 1.18 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.57 1c07 h HIS 56 CO 0.02 0.63 -0.74 0.82 -0.00 0.00 0.00 177.93 178.67 1c07 h ILE 57 N 0.00 1.38 -0.49 6.26 2.04 0.34 -1.91 117.51 125.14 1c07 h ILE 57 Ca -0.01 -2.66 -0.06 0.00 1.00 0.00 0.00 64.86 63.14 1c07 h ILE 57 Cb 1.14 2.49 -0.02 0.00 -0.74 0.00 0.00 36.82 39.70 1c07 h ILE 57 CO 0.08 0.72 0.08 -0.25 0.00 0.00 0.00 178.15 178.79 1c07 h TRP 58 N 0.00 0.85 0.00 1.37 2.91 -0.64 -0.72 115.95 119.72 1c07 h TRP 58 Ca -0.01 -0.12 -0.07 0.00 1.13 0.00 0.00 58.89 59.83 1c07 h TRP 58 Cb 1.43 -0.23 -0.01 0.00 -0.51 0.00 0.00 29.16 29.84 1c07 h TRP 58 CO 0.00 0.78 -0.32 0.66 -1.03 0.00 0.00 178.44 178.53 1c07 h SER 59 N 0.67 0.00 1.23 2.65 4.64 -1.48 1.92 113.55 123.18 1c07 h SER 59 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1c07 h SER 59 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1c07 h SER 59 CO 0.01 0.32 0.00 0.25 -0.87 0.00 0.00 176.83 176.54 1c07 h LEU 60 N 0.00 0.00 0.00 5.97 5.85 -0.54 -3.30 115.31 123.29 1c07 h LEU 60 Ca -0.00 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 1c07 h LEU 60 Cb 0.94 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 1c07 h LEU 60 CO 0.04 0.00 -1.35 0.00 -0.34 0.00 0.00 178.44 176.79 1c07 n ASP 62 N -2.46 2.54 0.30 0.00 -0.08 0.65 -4.46 116.55 113.05 1c07 n ASP 62 Ca -0.10 -2.08 0.17 0.00 -1.51 0.00 0.00 54.79 51.27 1c07 n ASP 62 Cb 0.64 -0.73 0.97 0.00 2.34 0.00 0.00 41.12 44.34 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 3.36 0.41 0.00 5.18 1.35 -1.83 -0.29 112.91 121.09 1c07 h THR 63 Ca 0.22 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 66.04 1c07 h THR 63 Cb 0.22 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 1c07 h THR 63 CO 1.00 0.01 0.00 0.11 -0.25 0.00 0.00 175.52 176.39 1c07 h LYS 64 N 0.00 0.00 -7.06 4.72 1.79 -1.88 -3.45 116.57 110.69 1c07 h LYS 64 Ca -0.00 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.86 1c07 h LYS 64 Cb 0.03 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 30.49 1c07 h LYS 64 CO 0.00 0.00 -0.97 -3.47 -1.08 0.00 0.00 179.45 173.93 1c07 n ASP 65 N -2.47 0.36 0.00 0.86 -0.08 -0.12 -4.78 116.55 110.32 1c07 n ASP 65 Ca -0.01 -1.27 0.00 0.00 -1.51 0.00 0.00 54.79 51.99 1c07 n ASP 65 Cb 0.07 -1.58 0.00 0.00 2.34 0.00 0.00 41.12 41.95 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 1.27 0.80 3.29 0.00 0.00 -1.26 -5.09 105.19 104.19 1c07 n GLY 67 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.42 1.41 -0.45 1.61 1.02 -1.26 -4.59 119.74 117.06 1c07 s LYS 68 Ca 0.00 -1.77 -0.08 0.00 0.02 0.00 0.00 55.97 54.14 1c07 s LYS 68 Cb 0.00 -0.07 0.11 0.00 -0.52 0.00 0.00 37.83 37.35 1c07 s LYS 68 CO 0.00 -0.36 0.31 -0.51 -0.92 0.00 0.00 175.35 173.86 1c07 s LEU 69 N -3.29 5.49 0.00 3.17 1.43 0.68 -4.81 118.68 121.36 1c07 s LEU 69 Ca 0.38 -1.81 -0.11 0.00 -1.03 0.00 0.00 54.13 51.55 1c07 s LEU 69 Cb 0.07 -1.98 0.17 0.00 0.03 0.00 0.00 46.19 44.48 1c07 s LEU 69 CO 0.14 -0.63 0.39 -0.24 0.23 0.00 0.00 176.35 176.24 1c07 n SER 70 N 4.88 -2.97 0.08 2.29 2.88 -1.26 0.25 113.62 119.77 1c07 n SER 70 Ca -0.08 -0.40 -0.13 0.00 -1.33 0.00 0.00 58.87 56.94 1c07 n SER 70 Cb 0.41 -0.71 -0.08 0.00 -0.75 0.00 0.00 64.21 63.08 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 -0.21 0.00 -1.46 1.63 -0.84 -2.55 116.57 113.15 1c07 h LYS 71 Ca -0.18 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.64 1c07 h LYS 71 Cb 0.60 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.28 1c07 h LYS 71 CO 0.11 0.12 0.00 0.38 -3.45 0.00 0.00 179.45 176.60 1c07 h ASP 72 N -0.57 0.00 0.10 4.20 2.03 -1.89 -3.27 116.42 117.02 1c07 h ASP 72 Ca -0.02 0.00 -0.29 0.00 -0.73 0.00 0.00 57.03 55.99 1c07 h ASP 72 Cb 0.43 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 38.96 1c07 h ASP 72 CO 0.04 0.00 -1.20 1.56 -1.03 0.00 0.00 179.24 178.61 1c07 h GLN 73 N 0.00 0.64 0.00 4.15 1.08 -1.85 -3.05 115.11 116.08 1c07 h GLN 73 Ca 0.00 -0.82 0.00 0.00 -1.45 0.00 0.00 58.65 56.38 1c07 h GLN 73 Cb 0.74 0.26 0.00 0.00 -0.05 0.00 0.00 27.48 28.43 1c07 h GLN 73 CO 0.00 1.37 0.00 0.35 -0.95 0.00 0.00 178.83 179.60 1c07 h PHE 74 N 0.28 0.00 0.00 2.96 3.57 -1.51 0.77 116.94 123.02 1c07 h PHE 74 Ca -0.18 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.32 1c07 h PHE 74 Cb 1.87 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.61 1c07 h PHE 74 CO 0.12 0.00 -0.34 0.00 -2.23 0.00 0.00 178.31 175.85 1c07 h ALA 75 N 2.05 0.82 0.00 2.41 0.00 -1.64 -3.22 119.26 119.68 1c07 h ALA 75 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1c07 h ALA 75 Cb 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1c07 h ALA 75 CO 0.00 0.00 -0.59 1.25 0.00 0.00 0.00 179.25 179.91 1c07 h LEU 76 N 0.00 0.00 -0.01 0.00 6.46 -0.82 -3.24 115.31 117.70 1c07 h LEU 76 Ca 0.00 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.67 1c07 h LEU 76 Cb 0.93 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.87 1c07 h LEU 76 CO 0.00 0.19 -0.35 0.00 -0.62 0.00 0.00 178.44 177.66 1c07 h ALA 77 N 1.81 0.06 -0.26 1.25 0.00 -1.52 -3.08 119.26 117.51 1c07 h ALA 77 Ca -0.02 -0.49 0.08 0.00 0.00 0.00 0.00 54.91 54.47 1c07 h ALA 77 Cb 1.17 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1c07 h ALA 77 CO 0.02 0.17 0.19 0.74 0.00 0.00 0.00 179.25 180.37 1c07 h PHE 78 N -0.34 0.00 -0.15 0.00 -1.00 -1.67 0.33 116.94 114.11 1c07 h PHE 78 Ca -0.04 0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.78 1c07 h PHE 78 Cb 1.08 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.63 1c07 h PHE 78 CO 0.16 0.00 0.32 1.25 -1.61 0.00 0.00 178.31 178.44 1c07 h HIS 79 N 0.00 0.00 0.00 -0.55 -0.00 -1.56 0.65 115.15 113.69 1c07 h HIS 79 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.49 1c07 h HIS 79 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.92 1c07 h HIS 79 CO 0.00 0.00 -0.90 1.28 -0.00 0.00 0.00 177.93 178.31 1c07 n LEU 80 N -3.29 1.78 -0.15 0.26 4.77 0.11 -4.00 117.00 116.48 1c07 n LEU 80 Ca 0.01 0.31 -0.05 0.00 -0.03 0.00 0.00 56.01 56.26 1c07 n LEU 80 Cb 0.42 -0.72 0.02 0.00 -2.33 0.00 0.00 43.42 40.81 1c07 n LEU 80 CO 0.20 -0.30 0.69 0.40 -1.33 0.00 0.00 177.39 177.06 1c07 h ILE 81 N -0.92 0.32 -1.01 -0.08 2.04 -1.14 0.18 117.51 116.91 1c07 h ILE 81 Ca 0.00 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.03 1c07 h ILE 81 Cb 0.90 0.32 -0.10 0.00 -0.74 0.00 0.00 36.82 37.21 1c07 h ILE 81 CO 0.00 0.00 0.62 -1.28 0.00 0.00 0.00 178.15 177.49 1c07 h SER 82 N -0.13 0.84 0.00 1.72 0.87 0.07 0.47 113.55 117.39 1c07 h SER 82 Ca 0.22 0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1c07 h SER 82 Cb 0.48 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1c07 h SER 82 CO -0.57 0.35 -0.00 1.56 -0.53 0.00 0.00 176.83 177.65 1c07 h GLN 83 N 0.85 0.00 0.00 2.24 4.20 -0.78 -0.23 115.11 121.39 1c07 h GLN 83 Ca 0.55 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.26 1c07 h GLN 83 Cb 0.75 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.53 1c07 h GLN 83 CO -0.34 0.00 -0.98 1.17 -0.67 0.00 0.00 178.83 178.01 1c07 n LYS 84 N -3.26 0.49 0.02 1.46 0.00 0.16 0.27 118.16 117.30 1c07 n LYS 84 Ca -0.03 0.08 -0.20 0.00 0.00 0.00 0.00 58.31 58.16 1c07 n LYS 84 Cb 0.07 -1.74 -0.14 0.00 0.00 0.00 0.00 35.03 33.22 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 0.42 0.00 3.14 3.38 -0.70 -3.29 115.31 118.26 1c07 h LEU 85 Ca 0.00 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 57.16 1c07 h LEU 85 Cb 0.90 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1c07 h LEU 85 CO 0.00 1.71 -0.47 -0.38 0.09 0.00 0.00 178.44 179.39 1c07 n ILE 86 N -3.46 0.00 0.04 1.22 2.08 -0.89 -4.70 119.36 113.65 1c07 n ILE 86 Ca -0.27 -0.27 0.00 0.00 0.56 0.00 0.00 62.75 62.78 1c07 n ILE 86 Cb 1.06 0.77 0.00 0.00 -0.75 0.00 0.00 39.64 40.71 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 -1.24 1.03 -4.06 0.38 4.76 -0.67 -5.02 118.16 113.35 1c07 n LYS 87 Ca 0.00 -0.42 -0.45 0.00 -2.87 0.00 0.00 58.31 54.57 1c07 n LYS 87 Cb 0.00 -0.90 0.02 0.00 -1.84 0.00 0.00 35.03 32.31 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 0.30 -0.81 3.10 0.72 0.00 0.75 -4.80 105.19 104.45 1c07 n GLY 88 Ca 0.00 0.34 -0.26 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.57 1.39 1.22 -0.61 1.01 0.10 -4.89 121.20 115.85 1c07 s ILE 89 Ca 0.47 -0.66 -0.13 0.00 0.00 0.00 0.00 60.65 60.32 1c07 s ILE 89 Cb -0.25 -1.22 0.31 0.00 0.01 0.00 0.00 42.46 41.31 1c07 s ILE 89 CO 0.97 0.41 1.01 1.51 0.00 0.00 0.00 174.94 178.83 1c07 s ASP 90 N 0.32 0.52 0.48 3.58 -4.77 -1.26 -3.96 116.67 111.58 1c07 s ASP 90 Ca -0.10 1.49 -0.19 0.00 -3.30 0.00 0.00 52.55 50.45 1c07 s ASP 90 Cb -0.14 -2.31 -0.09 0.00 -1.09 0.00 0.00 42.92 39.29 1c07 s ASP 90 CO 0.04 -4.48 0.98 -2.16 0.70 0.00 0.00 175.17 170.24 1c07 s PRO 91 N -4.40 4.03 -0.69 2.11 0.04 -1.26 -4.90 135.00 129.93 1c07 s PRO 91 Ca 0.69 1.07 -0.12 0.00 0.04 0.00 0.00 61.00 62.69 1c07 s PRO 91 Cb -0.26 -2.15 -0.10 0.00 0.04 0.00 0.00 34.50 32.04 1c07 s PRO 91 CO 0.66 -0.20 1.87 -0.35 0.04 0.00 0.00 177.00 179.01 1c07 n PRO 92 N -1.12 1.48 0.00 0.56 -0.04 -1.26 -4.87 135.00 129.74 1c07 n PRO 92 Ca 0.07 -1.42 0.00 0.00 -0.04 0.00 0.00 63.50 62.11 1c07 n PRO 92 Cb 0.54 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.45 1c07 n PRO 92 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1c07 n HIS 93 N 5.69 0.00 -2.66 0.54 1.44 -1.26 -4.50 115.22 114.48 1c07 n HIS 93 Ca 0.40 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.11 1c07 n HIS 93 Cb 0.22 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.33 1c07 n HIS 93 CO 0.00 0.00 0.00 1.33 -2.81 0.00 0.00 176.34 174.86 1c07 n VAL 94 N 0.00 0.00 -2.25 0.61 0.24 -1.26 -4.88 118.33 110.79 1c07 n VAL 94 Ca 0.00 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.94 1c07 n VAL 94 Cb 0.00 -0.86 -0.00 0.00 -1.47 0.00 0.00 33.84 31.50 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 3.90 0.31 1.34 2.01 -1.26 -4.99 118.68 119.99 1c07 s LEU 95 Ca 0.00 2.26 0.06 0.00 0.01 0.00 0.00 54.13 56.46 1c07 s LEU 95 Cb 0.00 -4.38 -0.06 0.00 0.01 0.00 0.00 46.19 41.76 1c07 s LEU 95 CO 0.00 -1.06 -0.02 0.42 1.01 0.00 0.00 176.35 176.71 1c07 s THR 96 N -1.63 1.55 0.30 5.49 -4.23 -1.26 -4.99 115.64 110.88 1c07 s THR 96 Ca 0.68 -2.07 0.29 0.00 -1.18 0.00 0.00 61.69 59.40 1c07 s THR 96 Cb -0.27 -2.62 0.31 0.00 1.34 0.00 0.00 72.50 71.26 1c07 s THR 96 CO 0.32 -0.17 2.01 1.55 -0.54 0.00 0.00 174.62 177.79 1c07 h PRO 97 N 2.17 0.00 0.00 3.99 0.13 -1.97 0.20 132.00 136.52 1c07 h PRO 97 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1c07 h PRO 97 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1c07 h PRO 97 CO 0.70 0.12 -0.20 0.93 -0.23 0.00 0.00 178.00 179.31 1c07 h GLU 98 N 0.00 0.00 0.03 0.86 5.08 -1.95 -3.33 114.58 115.27 1c07 h GLU 98 Ca -0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.05 1c07 h GLU 98 Cb 0.46 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 1c07 h GLU 98 CO 0.02 0.00 -1.72 -0.12 -1.00 0.00 0.00 179.01 176.19 1c07 n MET 99 N -2.75 0.62 -1.60 2.33 1.56 -0.39 -0.82 117.12 116.07 1c07 n MET 99 Ca 0.04 0.43 -0.48 0.00 -0.27 0.00 0.00 57.70 57.42 1c07 n MET 99 Cb 0.50 -1.68 -0.04 0.00 2.15 0.00 0.00 33.22 34.15 1c07 n MET 99 CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 175.97 174.35 1c07 n ILE 100 N -4.11 0.90 -1.60 1.12 5.41 0.57 -4.86 119.36 116.78 1c07 n ILE 100 Ca -0.37 -0.22 -0.30 0.00 1.00 0.00 0.00 62.75 62.86 1c07 n ILE 100 Cb 0.82 -1.00 0.08 0.00 -0.71 0.00 0.00 39.64 38.83 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 -0.37 2.19 0.29 0.38 0.04 -1.26 -4.94 135.00 131.33 1c07 s PRO 101 Ca 0.72 0.61 -0.28 0.00 0.04 0.00 0.00 61.00 62.10 1c07 s PRO 101 Cb -0.80 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 31.71 1c07 s PRO 101 CO 0.51 -1.54 0.97 -1.25 0.04 0.00 0.00 177.00 175.74 1c07 s PRO 102 N -5.19 4.65 0.00 0.56 0.04 -1.26 -5.16 135.00 128.65 1c07 s PRO 102 Ca 0.60 1.45 0.00 0.00 0.04 0.00 0.00 61.00 63.10 1c07 s PRO 102 Cb -0.14 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.41 1c07 s PRO 102 CO 0.54 0.32 0.15 0.45 0.04 0.00 0.00 177.00 178.50