#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c07 n TRP 10 N 0.00 -3.84 0.09 4.78 -0.00 0.60 -4.89 117.44 114.18 1c07 n TRP 10 Ca 0.00 1.92 -0.04 0.00 -0.00 0.00 0.00 57.50 59.38 1c07 n TRP 10 Cb 0.00 -3.78 0.16 0.00 -0.00 0.00 0.00 31.31 27.69 1c07 n TRP 10 CO 0.00 0.00 0.00 -0.39 -0.00 0.00 0.00 177.69 177.30 1c07 h VAL 11 N 3.15 1.36 -4.12 5.87 -1.51 -1.66 -3.44 116.25 115.91 1c07 h VAL 11 Ca -0.20 -1.83 -0.60 0.00 -1.23 0.00 0.00 66.70 62.84 1c07 h VAL 11 Cb 0.46 1.90 -0.25 0.00 -2.13 0.00 0.00 31.29 31.26 1c07 h VAL 11 CO 0.06 0.54 -0.85 0.54 -1.23 0.00 0.00 177.57 176.63 1c07 s VAL 12 N -3.89 1.80 0.31 7.19 0.11 -1.26 -5.01 120.40 119.66 1c07 s VAL 12 Ca -0.04 -1.35 0.00 0.00 -2.93 0.00 0.00 61.98 57.66 1c07 s VAL 12 Cb 0.12 -1.58 0.00 0.00 -1.53 0.00 0.00 36.38 33.40 1c07 s VAL 12 CO 0.79 0.16 0.00 -1.54 -3.33 0.00 0.00 175.10 171.18 1c07 n SER 13 N 1.59 -2.81 -0.47 3.54 3.41 -1.26 -4.84 113.62 112.79 1c07 n SER 13 Ca -0.18 0.77 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 1c07 n SER 13 Cb 0.53 2.77 0.00 0.00 -0.26 0.00 0.00 64.21 67.25 1c07 n SER 13 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1c07 n PRO 14 N -3.29 3.04 -0.04 4.33 -0.04 -1.26 -3.64 135.00 134.10 1c07 n PRO 14 Ca 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.45 1c07 n PRO 14 Cb 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.45 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 -0.06 -0.21 0.55 0.00 -1.26 -0.89 120.51 115.64 1c07 n ALA 15 Ca 0.00 0.08 -0.05 0.00 0.00 0.00 0.00 53.44 53.47 1c07 n ALA 15 Cb 0.00 0.16 -0.05 0.00 0.00 0.00 0.00 19.45 19.56 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 -2.92 -0.22 -0.21 0.00 1.02 -1.26 0.18 120.64 117.24 1c07 n GLU 16 Ca 0.00 1.06 0.20 0.00 -0.02 0.00 0.00 57.16 58.41 1c07 n GLU 16 Cb 0.03 -1.57 0.56 0.00 -0.02 0.00 0.00 31.44 30.43 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 0.31 -0.11 3.49 3.11 -1.08 -0.93 116.57 121.36 1c07 h LYS 17 Ca 0.08 -0.02 -0.02 0.00 -2.81 0.00 0.00 60.65 57.88 1c07 h LYS 17 Cb 0.20 -0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 31.36 1c07 h LYS 17 CO -0.46 0.20 -0.01 0.00 -2.81 0.00 0.00 179.45 176.38 1c07 h ALA 18 N 1.61 0.15 -0.44 5.00 0.00 0.24 2.16 119.26 127.99 1c07 h ALA 18 Ca 0.44 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.26 1c07 h ALA 18 Cb 1.22 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1c07 h ALA 18 CO -0.14 -0.15 0.31 -0.22 0.00 0.00 0.00 179.25 179.05 1c07 h LYS 19 N -0.09 0.11 0.00 0.00 3.64 0.27 -2.25 116.57 118.25 1c07 h LYS 19 Ca 0.03 -0.01 -0.22 0.00 -1.27 0.00 0.00 60.65 59.19 1c07 h LYS 19 Cb 0.38 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 1c07 h LYS 19 CO 0.01 0.07 -1.30 0.66 -2.27 0.00 0.00 179.45 176.62 1c07 n TYR 20 N -4.44 0.83 -0.33 1.91 4.01 -0.92 -3.54 117.16 114.68 1c07 n TYR 20 Ca 0.07 0.36 0.28 0.00 -0.16 0.00 0.00 57.90 58.45 1c07 n TYR 20 Cb 0.43 -1.01 0.53 0.00 -0.31 0.00 0.00 39.34 38.98 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 0.43 0.11 7.72 1.82 0.37 2.03 116.42 127.90 1c07 h ASP 21 Ca -0.33 0.22 -0.16 0.00 -0.39 0.00 0.00 57.03 56.37 1c07 h ASP 21 Cb 1.20 0.19 -0.01 0.00 0.68 0.00 0.00 39.33 41.39 1c07 h ASP 21 CO -0.20 -0.26 -0.59 -0.33 -1.61 0.00 0.00 179.24 176.26 1c07 h GLU 22 N 0.18 0.48 -0.18 0.28 5.08 -1.58 -3.14 114.58 115.70 1c07 h GLU 22 Ca 0.78 -0.32 -0.17 0.00 -1.00 0.00 0.00 59.36 58.65 1c07 h GLU 22 Cb 1.95 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.25 1c07 h GLU 22 CO -0.66 0.93 -0.55 0.82 -1.00 0.00 0.00 179.01 178.54 1c07 h ILE 23 N 0.36 1.31 -1.16 3.13 2.04 0.28 -2.80 117.51 120.68 1c07 h ILE 23 Ca -0.00 -1.79 0.34 0.00 1.00 0.00 0.00 64.86 64.41 1c07 h ILE 23 Cb 1.13 1.93 -0.05 0.00 -0.74 0.00 0.00 36.82 39.09 1c07 h ILE 23 CO 0.11 0.56 0.93 0.15 0.00 0.00 0.00 178.15 179.90 1c07 h PHE 24 N 0.40 0.00 -0.06 1.37 3.04 0.35 2.94 116.94 124.97 1c07 h PHE 24 Ca -0.02 0.00 -0.16 0.00 3.98 0.00 0.00 57.97 61.77 1c07 h PHE 24 Cb 1.18 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.68 1c07 h PHE 24 CO 0.09 0.00 -0.68 -0.07 -2.02 0.00 0.00 178.31 175.63 1c07 h LEU 25 N 0.00 0.30 0.00 0.59 3.38 -1.53 0.51 115.31 118.56 1c07 h LEU 25 Ca 0.55 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1c07 h LEU 25 Cb 2.42 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 43.08 1c07 h LEU 25 CO -0.01 0.89 -0.69 0.29 0.09 0.00 0.00 178.44 179.02 1c07 n LYS 26 N -3.82 0.00 -0.07 1.13 5.02 0.86 -4.33 118.16 116.95 1c07 n LYS 26 Ca -0.03 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.20 1c07 n LYS 26 Cb 0.67 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.16 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 0.11 -0.39 -0.18 2.02 0.25 -3.41 112.91 111.31 1c07 h THR 27 Ca 0.00 -1.14 -0.20 0.00 0.77 0.00 0.00 66.41 65.84 1c07 h THR 27 Cb 0.50 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 1c07 h THR 27 CO 0.00 0.04 0.62 -0.62 0.37 0.00 0.00 175.52 175.93 1c07 s ASP 28 N -5.85 4.45 0.00 4.18 -1.08 0.15 -4.54 116.67 113.99 1c07 s ASP 28 Ca -0.16 -1.16 0.00 0.00 -0.52 0.00 0.00 52.55 50.72 1c07 s ASP 28 Cb 0.02 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.90 1c07 s ASP 28 CO 0.25 -3.62 0.72 0.29 0.52 0.00 0.00 175.17 173.32 1c07 n LYS 29 N 8.38 0.77 -0.04 4.34 5.02 -1.26 -2.99 118.16 132.38 1c07 n LYS 29 Ca 0.43 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.74 1c07 n LYS 29 Cb 0.46 -1.05 0.04 0.00 -0.02 0.00 0.00 35.03 34.46 1c07 n LYS 29 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1c07 n ASP 30 N -0.41 1.91 -3.46 4.39 9.92 -1.26 -4.98 116.55 122.65 1c07 n ASP 30 Ca 0.00 -1.65 -0.23 0.00 -0.53 0.00 0.00 54.79 52.38 1c07 n ASP 30 Cb 0.03 -0.05 -0.02 0.00 -0.64 0.00 0.00 41.12 40.44 1c07 n ASP 30 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1c07 n MET 31 N 0.02 -2.78 -0.32 -1.24 2.81 -1.16 -4.78 117.12 109.66 1c07 n MET 31 Ca 0.03 0.33 0.07 0.00 -1.81 0.00 0.00 57.70 56.33 1c07 n MET 31 Cb 0.22 -4.98 0.23 0.00 -0.71 0.00 0.00 33.22 27.98 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 -2.19 3.53 -0.13 7.83 5.68 -1.26 -4.92 116.55 125.08 1c07 n ASP 32 Ca 0.01 -2.28 -0.02 0.00 -0.50 0.00 0.00 54.79 52.01 1c07 n ASP 32 Cb 0.52 -0.38 -0.01 0.00 -1.14 0.00 0.00 41.12 40.11 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 0.53 0.48 2.90 6.12 0.00 -1.26 -4.97 105.19 108.99 1c07 n GLY 33 Ca 0.17 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.82 -0.79 0.03 1.61 0.08 -1.26 -4.18 117.98 111.65 1c07 s PHE 34 Ca 0.00 0.79 -0.19 0.00 0.12 0.00 0.00 56.93 57.64 1c07 s PHE 34 Cb 0.00 -0.01 -0.06 0.00 -0.57 0.00 0.00 43.02 42.38 1c07 s PHE 34 CO 0.00 -0.71 0.56 0.54 -0.10 0.00 0.00 175.22 175.51 1c07 s VAL 35 N 2.53 4.85 0.39 -0.44 0.11 -0.84 -4.60 120.40 122.40 1c07 s VAL 35 Ca 0.12 1.18 -0.12 0.00 -2.93 0.00 0.00 61.98 60.24 1c07 s VAL 35 Cb -0.15 -3.89 -0.07 0.00 -1.53 0.00 0.00 36.38 30.73 1c07 s VAL 35 CO -0.16 0.49 0.77 -0.94 -3.33 0.00 0.00 175.10 171.93 1c07 s SER 36 N -0.66 6.59 0.64 3.54 1.04 -1.26 0.16 113.70 123.75 1c07 s SER 36 Ca 0.29 1.18 0.26 0.00 0.48 0.00 0.00 55.95 58.16 1c07 s SER 36 Cb -0.19 -2.34 1.37 0.00 0.10 0.00 0.00 66.02 64.96 1c07 s SER 36 CO 0.17 -0.36 1.78 1.23 0.98 0.00 0.00 173.24 177.04 1c07 h GLY 37 N 1.49 0.00 1.81 7.32 0.00 -1.92 0.55 103.07 112.31 1c07 h GLY 37 Ca -0.47 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.70 1c07 h GLY 37 CO 0.64 0.00 -0.67 1.41 0.00 0.00 0.00 176.54 177.92 1c07 h LEU 38 N 0.00 0.22 0.00 3.11 3.38 -1.95 0.53 115.31 120.60 1c07 h LEU 38 Ca 0.07 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1c07 h LEU 38 Cb 1.04 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1c07 h LEU 38 CO -0.00 0.83 -0.26 -0.33 0.09 0.00 0.00 178.44 178.77 1c07 h GLU 39 N 0.13 0.00 0.00 1.13 5.08 -0.24 -3.28 114.58 117.41 1c07 h GLU 39 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1c07 h GLU 39 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1c07 h GLU 39 CO 0.10 0.59 0.00 1.55 -1.00 0.00 0.00 179.01 180.26 1c07 n VAL 40 N -4.63 0.95 0.00 3.13 3.14 -0.81 -3.94 118.33 116.17 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 0.35 -1.32 0.00 0.00 -1.06 0.00 0.00 33.84 31.81 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 -2.15 0.00 -0.31 1.45 0.63 0.19 0.23 116.66 116.70 1c07 n ARG 41 Ca 0.01 0.37 0.15 0.00 -0.92 0.00 0.00 57.85 57.46 1c07 n ARG 41 Cb 0.16 -1.05 0.32 0.00 0.45 0.00 0.00 32.46 32.35 1c07 n ARG 41 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1c07 h GLU 42 N 0.00 0.13 -0.95 -0.14 4.81 -1.77 1.88 114.58 118.53 1c07 h GLU 42 Ca 0.00 -0.01 0.19 0.00 -0.13 0.00 0.00 59.36 59.41 1c07 h GLU 42 Cb 0.00 -0.03 -0.11 0.00 0.63 0.00 0.00 28.75 29.24 1c07 h GLU 42 CO 0.00 0.09 0.54 0.82 -0.73 0.00 0.00 179.01 179.73 1c07 h ILE 43 N 0.14 0.66 0.19 2.32 2.04 -1.49 -0.40 117.51 120.97 1c07 h ILE 43 Ca 0.60 -0.23 -0.33 0.00 1.00 0.00 0.00 64.86 65.90 1c07 h ILE 43 Cb 1.27 -0.06 0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1c07 h ILE 43 CO -0.73 0.12 -1.59 -0.26 0.00 0.00 0.00 178.15 175.69 1c07 h PHE 44 N 0.67 0.73 0.00 1.37 0.04 0.70 -3.22 116.94 117.22 1c07 h PHE 44 Ca 0.56 -0.53 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1c07 h PHE 44 Cb 0.90 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.02 1c07 h PHE 44 CO -0.04 1.55 0.19 -0.07 -0.60 0.00 0.00 178.31 179.34 1c07 h LEU 45 N 0.11 0.00 -0.02 1.54 3.38 0.18 0.90 115.31 121.40 1c07 h LEU 45 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1c07 h LEU 45 Cb 2.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.85 1c07 h LEU 45 CO 0.21 0.00 0.00 0.29 0.09 0.00 0.00 178.44 179.03 1c07 n LYS 46 N -2.72 0.19 0.21 1.13 5.02 -0.31 -3.18 118.16 118.49 1c07 n LYS 46 Ca -0.02 0.17 0.15 0.00 -2.02 0.00 0.00 58.31 56.59 1c07 n LYS 46 Cb 0.24 -1.73 0.67 0.00 -0.02 0.00 0.00 35.03 34.19 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 0.00 -0.02 -0.18 1.35 0.70 -3.45 112.91 111.31 1c07 h THR 47 Ca 0.00 -0.21 -0.01 0.00 -0.55 0.00 0.00 66.41 65.64 1c07 h THR 47 Cb 0.67 0.99 -0.00 0.00 -1.73 0.00 0.00 68.15 68.07 1c07 h THR 47 CO 0.00 0.00 -0.01 0.61 -0.25 0.00 0.00 175.52 175.87 1c07 n GLY 48 N -0.45 0.40 4.01 5.82 0.00 -1.19 -4.85 105.19 108.93 1c07 n GLY 48 Ca 0.00 -1.06 -0.18 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.08 3.53 0.57 0.99 1.02 -1.26 -5.09 118.68 118.36 1c07 s LEU 49 Ca 0.00 -0.52 -0.15 0.00 0.02 0.00 0.00 54.13 53.48 1c07 s LEU 49 Cb 0.00 -2.42 -0.05 0.00 0.02 0.00 0.00 46.19 43.74 1c07 s LEU 49 CO 0.00 -0.89 1.03 -2.16 0.02 0.00 0.00 176.35 174.35 1c07 s PRO 50 N -4.42 3.56 0.10 1.29 0.04 -1.26 -4.95 135.00 129.36 1c07 s PRO 50 Ca 0.56 1.04 -0.25 0.00 0.04 0.00 0.00 61.00 62.39 1c07 s PRO 50 Cb -0.09 -2.07 -0.13 0.00 0.04 0.00 0.00 34.50 32.25 1c07 s PRO 50 CO 0.34 -0.60 1.69 0.66 0.04 0.00 0.00 177.00 179.14 1c07 h SER 51 N 0.44 -0.30 -0.62 6.66 4.64 -2.00 -2.86 113.55 119.51 1c07 h SER 51 Ca -0.46 0.03 0.09 0.00 -0.47 0.00 0.00 61.79 60.97 1c07 h SER 51 Cb 1.20 0.11 -0.07 0.00 -0.31 0.00 0.00 62.40 63.33 1c07 h SER 51 CO 0.59 -0.18 0.26 0.74 -0.87 0.00 0.00 176.83 177.37 1c07 h THR 52 N -0.26 0.81 -0.16 2.95 2.02 -1.99 -1.79 112.91 114.50 1c07 h THR 52 Ca 0.00 -0.16 0.04 0.00 0.77 0.00 0.00 66.41 67.07 1c07 h THR 52 Cb 0.24 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 66.92 1c07 h THR 52 CO -0.03 0.08 -0.12 0.25 0.37 0.00 0.00 175.52 176.08 1c07 h LEU 53 N 0.46 -0.37 -1.35 2.58 5.85 -1.90 0.49 115.31 121.07 1c07 h LEU 53 Ca 0.30 0.08 0.01 0.00 0.84 0.00 0.00 57.88 59.11 1c07 h LEU 53 Cb 0.35 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1c07 h LEU 53 CO -0.28 -0.15 0.45 -0.07 -0.34 0.00 0.00 178.44 178.04 1c07 h LEU 54 N -0.12 0.76 -0.09 2.25 3.38 -1.24 0.61 115.31 120.86 1c07 h LEU 54 Ca 0.10 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1c07 h LEU 54 Cb 0.27 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1c07 h LEU 54 CO -0.24 0.55 -0.04 0.00 0.09 0.00 0.00 178.44 178.80 1c07 h ALA 55 N 1.58 0.12 -0.76 1.53 0.00 -0.38 0.13 119.26 121.49 1c07 h ALA 55 Ca 0.25 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1c07 h ALA 55 Cb -0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1c07 h ALA 55 CO -0.06 -0.12 0.47 1.25 0.00 0.00 0.00 179.25 180.79 1c07 h HIS 56 N -0.19 0.98 -0.51 0.00 -0.00 0.58 -0.15 115.15 115.87 1c07 h HIS 56 Ca 0.02 0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.33 1c07 h HIS 56 Cb 0.49 -0.33 -0.02 0.00 -0.00 0.00 0.00 27.41 27.55 1c07 h HIS 56 CO 0.07 0.64 0.05 0.82 -0.00 0.00 0.00 177.93 179.51 1c07 h ILE 57 N 1.04 1.24 0.10 6.26 2.04 0.48 0.50 117.51 129.17 1c07 h ILE 57 Ca 0.27 -0.95 0.01 0.00 1.00 0.00 0.00 64.86 65.20 1c07 h ILE 57 Cb -0.06 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1c07 h ILE 57 CO -0.05 0.34 -0.17 -0.25 0.00 0.00 0.00 178.15 178.02 1c07 h TRP 58 N 0.78 -0.44 -0.13 1.37 2.91 0.11 0.30 115.95 120.86 1c07 h TRP 58 Ca 0.16 0.01 -0.13 0.00 1.13 0.00 0.00 58.89 60.06 1c07 h TRP 58 Cb 0.40 0.18 -0.01 0.00 -0.51 0.00 0.00 29.16 29.22 1c07 h TRP 58 CO 0.02 -0.25 -0.48 0.77 -1.03 0.00 0.00 178.44 177.47 1c07 h SER 59 N -0.33 0.36 0.57 2.65 0.02 -1.30 1.89 113.55 117.41 1c07 h SER 59 Ca 0.02 -0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 60.77 1c07 h SER 59 Cb 0.35 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 1c07 h SER 59 CO -0.09 0.79 -0.13 0.25 -1.14 0.00 0.00 176.83 176.52 1c07 h LEU 60 N 0.27 0.00 0.00 5.07 5.85 -0.34 -3.20 115.31 122.96 1c07 h LEU 60 Ca 0.01 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.46 1c07 h LEU 60 Cb 0.95 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.93 1c07 h LEU 60 CO 0.08 0.13 -2.03 0.00 -0.34 0.00 0.00 178.44 176.28 1c07 n ASP 62 N -2.84 2.88 -0.03 0.00 -0.08 0.64 -4.50 116.55 112.61 1c07 n ASP 62 Ca -0.29 -2.14 0.22 0.00 -1.51 0.00 0.00 54.79 51.07 1c07 n ASP 62 Cb 0.90 -0.81 0.71 0.00 2.34 0.00 0.00 41.12 44.25 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 3.49 0.66 0.00 5.18 1.35 -1.81 0.40 112.91 122.17 1c07 h THR 63 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.13 1c07 h THR 63 Cb 0.17 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 67.28 1c07 h THR 63 CO 1.13 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 176.69 1c07 n LYS 64 N -4.29 0.04 -4.05 4.72 4.01 -1.26 -4.84 118.16 112.49 1c07 n LYS 64 Ca 0.11 0.47 -0.34 0.00 -0.51 0.00 0.00 58.31 58.04 1c07 n LYS 64 Cb 0.68 -1.60 -0.03 0.00 -0.51 0.00 0.00 35.03 33.57 1c07 n LYS 64 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1c07 n ASP 65 N -1.67 -1.54 -0.00 4.39 5.68 0.14 -4.80 116.55 118.74 1c07 n ASP 65 Ca 0.01 -1.11 0.01 0.00 -0.50 0.00 0.00 54.79 53.19 1c07 n ASP 65 Cb 0.06 -1.35 -0.01 0.00 -1.14 0.00 0.00 41.12 38.68 1c07 n ASP 65 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1c07 n GLY 67 N 1.20 2.79 2.47 0.00 0.00 -1.26 -5.06 105.19 105.33 1c07 n GLY 67 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.96 1.06 -3.89 1.61 4.76 -1.26 -4.55 118.16 114.93 1c07 n LYS 68 Ca 0.00 -2.37 -0.35 0.00 -2.87 0.00 0.00 58.31 52.72 1c07 n LYS 68 Cb 0.00 0.44 -0.13 0.00 -1.84 0.00 0.00 35.03 33.50 1c07 n LYS 68 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1c07 s LEU 69 N 0.00 4.08 1.06 -0.35 0.20 0.42 -4.85 118.68 119.23 1c07 s LEU 69 Ca 0.11 -1.38 -0.12 0.00 0.69 0.00 0.00 54.13 53.43 1c07 s LEU 69 Cb -0.01 -1.73 0.22 0.00 -0.43 0.00 0.00 46.19 44.25 1c07 s LEU 69 CO 0.07 -0.30 1.07 -0.44 -0.29 0.00 0.00 176.35 176.46 1c07 s SER 70 N 1.31 1.96 0.00 3.68 0.01 -1.26 -1.99 113.70 117.40 1c07 s SER 70 Ca -0.03 1.50 0.00 0.00 1.31 0.00 0.00 55.95 58.73 1c07 s SER 70 Cb -0.20 -2.20 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1c07 s SER 70 CO -0.01 -3.59 0.85 0.29 0.41 0.00 0.00 173.24 171.19 1c07 n LYS 71 N -4.51 0.00 -0.38 12.44 5.02 -1.26 -0.27 118.16 129.20 1c07 n LYS 71 Ca 0.05 0.45 0.29 0.00 -2.02 0.00 0.00 58.31 57.08 1c07 n LYS 71 Cb 0.55 -1.35 0.56 0.00 -0.02 0.00 0.00 35.03 34.77 1c07 n LYS 71 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1c07 h ASP 72 N 0.00 0.38 -0.02 4.39 3.32 -1.97 0.15 116.42 122.67 1c07 h ASP 72 Ca 0.00 0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 1c07 h ASP 72 Cb 0.00 0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 1c07 h ASP 72 CO 0.00 -0.12 -0.00 1.56 -1.72 0.00 0.00 179.24 178.96 1c07 h GLN 73 N 0.23 0.04 -0.23 3.56 1.08 -1.73 -1.74 115.11 116.31 1c07 h GLN 73 Ca 0.74 -0.02 0.07 0.00 -1.45 0.00 0.00 58.65 58.00 1c07 h GLN 73 Cb 2.03 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.45 1c07 h GLN 73 CO -0.47 0.40 0.22 0.35 -0.95 0.00 0.00 178.83 178.38 1c07 h PHE 74 N -0.31 0.00 0.00 2.96 3.57 0.22 1.07 116.94 124.44 1c07 h PHE 74 Ca 0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1c07 h PHE 74 Cb 0.38 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.12 1c07 h PHE 74 CO 0.05 0.00 -0.03 0.00 -2.23 0.00 0.00 178.31 176.10 1c07 n ALA 75 N -2.41 2.37 -0.00 2.41 0.00 -0.55 -3.56 120.51 118.77 1c07 n ALA 75 Ca 0.03 -0.09 -0.22 0.00 0.00 0.00 0.00 53.44 53.16 1c07 n ALA 75 Cb 0.36 -1.45 -0.14 0.00 0.00 0.00 0.00 19.45 18.22 1c07 n ALA 75 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1c07 h LEU 76 N 0.00 0.37 -2.02 0.00 5.85 0.20 -3.30 115.31 116.41 1c07 h LEU 76 Ca 0.00 -0.86 -0.02 0.00 0.84 0.00 0.00 57.88 57.84 1c07 h LEU 76 Cb 0.57 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 1c07 h LEU 76 CO 0.00 1.74 -0.09 0.00 -0.34 0.00 0.00 178.44 179.75 1c07 h ALA 77 N -0.04 1.49 0.00 1.25 0.00 -1.46 0.78 119.26 121.28 1c07 h ALA 77 Ca -0.38 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1c07 h ALA 77 Cb 1.87 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.64 1c07 h ALA 77 CO 0.05 0.12 -0.03 0.74 0.00 0.00 0.00 179.25 180.12 1c07 h PHE 78 N 0.00 0.00 0.00 0.00 0.04 -1.68 -0.32 116.94 114.98 1c07 h PHE 78 Ca -0.00 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 1c07 h PHE 78 Cb 0.22 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 1c07 h PHE 78 CO 0.00 0.03 -0.17 1.25 -0.60 0.00 0.00 178.31 178.82 1c07 h HIS 79 N 0.00 0.00 0.00 -0.55 2.76 -0.92 -0.67 115.15 115.77 1c07 h HIS 79 Ca -0.00 0.00 -0.39 0.00 -2.20 0.00 0.00 60.37 57.78 1c07 h HIS 79 Cb 0.83 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.72 1c07 h HIS 79 CO 0.00 0.17 -2.45 1.28 -1.30 0.00 0.00 177.93 175.63 1c07 n LEU 80 N -3.26 2.52 -0.06 0.26 4.77 -1.03 -4.01 117.00 116.18 1c07 n LEU 80 Ca 0.01 -0.11 -0.12 0.00 -0.03 0.00 0.00 56.01 55.76 1c07 n LEU 80 Cb 0.45 -0.70 -0.06 0.00 -2.33 0.00 0.00 43.42 40.78 1c07 n LEU 80 CO 0.33 0.87 0.73 0.40 -1.33 0.00 0.00 177.39 178.39 1c07 h ILE 81 N 0.00 1.27 0.00 -0.08 2.04 -1.09 -2.30 117.51 117.35 1c07 h ILE 81 Ca -0.57 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 64.38 1c07 h ILE 81 Cb 1.96 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 39.55 1c07 h ILE 81 CO -0.07 0.27 0.00 0.28 0.00 0.00 0.00 178.15 178.64 1c07 h SER 82 N 0.06 0.00 1.42 1.72 0.02 -1.34 -0.85 113.55 114.58 1c07 h SER 82 Ca 0.05 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 1c07 h SER 82 Cb 0.42 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1c07 h SER 82 CO 0.01 0.00 -0.36 1.56 -1.14 0.00 0.00 176.83 176.91 1c07 h GLN 83 N 0.00 0.00 0.00 3.45 4.20 -1.55 -3.11 115.11 118.10 1c07 h GLN 83 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1c07 h GLN 83 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1c07 h GLN 83 CO 0.00 0.36 -0.47 1.17 -0.67 0.00 0.00 178.83 179.21 1c07 n LYS 84 N -3.25 0.03 -0.09 1.46 0.00 -0.33 0.25 118.16 116.23 1c07 n LYS 84 Ca 0.02 0.01 -0.13 0.00 0.00 0.00 0.00 58.31 58.21 1c07 n LYS 84 Cb 0.63 -1.52 -0.06 0.00 0.00 0.00 0.00 35.03 34.08 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 -1.49 -3.34 115.31 117.00 1c07 h LEU 85 Ca 0.00 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1c07 h LEU 85 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1c07 h LEU 85 CO 0.00 1.10 -1.29 -0.38 0.09 0.00 0.00 178.44 177.95 1c07 n ILE 86 N -4.53 0.00 0.58 1.22 2.08 -1.19 -4.51 119.36 113.01 1c07 n ILE 86 Ca -0.19 -0.26 0.07 0.00 0.56 0.00 0.00 62.75 62.93 1c07 n ILE 86 Cb 0.46 0.43 0.02 0.00 -0.75 0.00 0.00 39.64 39.80 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 -1.75 1.48 -4.14 0.38 4.76 -0.87 -4.99 118.16 113.03 1c07 n LYS 87 Ca -0.01 -0.96 -0.35 0.00 -2.87 0.00 0.00 58.31 54.11 1c07 n LYS 87 Cb 0.28 -1.21 -0.04 0.00 -1.84 0.00 0.00 35.03 32.22 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 0.92 -0.43 3.48 0.72 0.00 0.68 -4.80 105.19 105.76 1c07 n GLY 88 Ca 0.07 0.24 -0.23 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 -3.98 1.50 0.43 -0.61 1.01 0.35 -4.87 121.20 115.05 1c07 s ILE 89 Ca 0.19 -2.04 0.07 0.00 0.00 0.00 0.00 60.65 58.87 1c07 s ILE 89 Cb -0.10 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 1c07 s ILE 89 CO 0.96 -0.09 0.21 -1.81 0.00 0.00 0.00 174.94 174.21 1c07 s ASP 90 N -3.52 4.47 0.57 3.58 1.01 -1.26 -3.31 116.67 118.21 1c07 s ASP 90 Ca 0.34 -1.11 -0.18 0.00 0.71 0.00 0.00 52.55 52.31 1c07 s ASP 90 Cb 0.07 -0.32 -0.04 0.00 1.01 0.00 0.00 42.92 43.65 1c07 s ASP 90 CO 0.15 -0.64 1.11 -2.16 0.21 0.00 0.00 175.17 173.84 1c07 s PRO 91 N -3.96 3.24 -0.14 8.23 0.04 -1.26 -4.86 135.00 136.28 1c07 s PRO 91 Ca 0.38 1.50 -0.04 0.00 0.04 0.00 0.00 61.00 62.89 1c07 s PRO 91 Cb 0.03 -2.00 -0.13 0.00 0.04 0.00 0.00 34.50 32.44 1c07 s PRO 91 CO 0.22 -0.92 2.18 -0.35 0.04 0.00 0.00 177.00 178.16 1c07 n PRO 92 N -1.62 1.24 0.00 0.56 -0.04 -1.26 -4.84 135.00 129.03 1c07 n PRO 92 Ca 0.11 -0.69 0.00 0.00 -0.04 0.00 0.00 63.50 62.88 1c07 n PRO 92 Cb 0.51 -1.88 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 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 2.97 0.00 -2.63 0.54 8.25 -1.26 -4.51 115.22 118.59 1c07 n HIS 93 Ca 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.73 1c07 n HIS 93 Cb 0.44 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.55 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 -3.15 1.59 0.24 -1.26 -4.91 118.33 110.83 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 -0.58 -0.06 0.00 -1.47 0.00 0.00 33.84 31.73 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 4.37 0.39 1.34 2.01 -1.26 -5.01 118.68 120.51 1c07 s LEU 95 Ca 0.00 1.36 0.08 0.00 0.01 0.00 0.00 54.13 55.57 1c07 s LEU 95 Cb 0.00 -3.46 -0.04 0.00 0.01 0.00 0.00 46.19 42.70 1c07 s LEU 95 CO 0.00 0.07 0.22 0.42 1.01 0.00 0.00 176.35 178.07 1c07 s THR 96 N -1.46 2.69 0.19 5.49 -4.23 -1.26 -4.95 115.64 112.11 1c07 s THR 96 Ca 0.41 -1.60 -0.07 0.00 -1.18 0.00 0.00 61.69 59.25 1c07 s THR 96 Cb -0.17 -3.00 0.01 0.00 1.34 0.00 0.00 72.50 70.68 1c07 s THR 96 CO 0.21 -0.07 1.58 1.55 -0.54 0.00 0.00 174.62 177.35 1c07 h PRO 97 N 1.37 0.85 0.00 3.99 0.13 -1.98 0.67 132.00 137.02 1c07 h PRO 97 Ca -0.43 -0.37 -0.09 0.00 -0.87 0.00 0.00 66.00 64.25 1c07 h PRO 97 Cb 1.26 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1c07 h PRO 97 CO 0.64 1.01 -0.41 0.93 -0.23 0.00 0.00 178.00 179.95 1c07 h GLU 98 N 0.72 0.00 0.00 0.86 5.08 -1.96 -2.72 114.58 116.57 1c07 h GLU 98 Ca 0.09 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.31 1c07 h GLU 98 Cb 0.81 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 1c07 h GLU 98 CO 0.07 0.41 -0.94 1.98 -1.00 0.00 0.00 179.01 179.52 1c07 h MET 99 N 0.00 0.00 -6.21 2.33 4.05 -1.80 0.20 114.93 113.49 1c07 h MET 99 Ca -0.00 0.00 -0.56 0.00 -0.28 0.00 0.00 59.70 58.86 1c07 h MET 99 Cb 0.88 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.63 1c07 h MET 99 CO 0.05 0.42 0.06 0.42 0.23 0.00 0.00 176.91 178.10 1c07 s ILE 100 N -2.94 4.78 -0.17 1.77 1.01 0.23 -4.85 121.20 121.03 1c07 s ILE 100 Ca 0.01 1.42 -0.29 0.00 0.00 0.00 0.00 60.65 61.78 1c07 s ILE 100 Cb 0.08 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 1c07 s ILE 100 CO 0.78 0.42 1.59 -2.16 0.00 0.00 0.00 174.94 175.57 1c07 s PRO 101 N -0.33 3.94 0.00 2.79 0.04 -1.26 -4.77 135.00 135.41 1c07 s PRO 101 Ca 0.34 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1c07 s PRO 101 Cb -0.20 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.35 1c07 s PRO 101 CO 0.20 -1.11 0.00 -0.35 0.04 0.00 0.00 177.00 175.78 1c07 n PRO 102 N 7.40 0.00 0.00 0.56 -0.04 -1.26 -5.13 135.00 136.54 1c07 n PRO 102 Ca 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1c07 n PRO 102 Cb 0.45 -0.21 0.00 0.00 -0.04 0.00 0.00 33.50 33.70 1c07 n PRO 102 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91