#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ntk h LYS 4 N 0.00 0.00 -0.11 -0.52 3.64 -2.07 -3.10 116.57 114.41 1ntk h LYS 4 Ca 0.00 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.23 1ntk h LYS 4 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1ntk h LYS 4 CO 0.00 0.42 -0.58 1.49 -2.27 0.00 0.00 179.45 178.51 1ntk h GLU 5 N 0.00 0.36 0.00 1.90 4.81 -2.06 -3.01 114.58 116.58 1ntk h GLU 5 Ca -0.00 -0.24 -0.05 0.00 -0.13 0.00 0.00 59.36 58.94 1ntk h GLU 5 Cb 1.00 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 1ntk h GLU 5 CO 0.06 0.84 -0.24 0.93 -0.73 0.00 0.00 179.01 179.86 1ntk h GLU 6 N 0.27 0.00 -0.14 1.92 5.08 -1.97 -2.62 114.58 117.11 1ntk h GLU 6 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1ntk h GLU 6 Cb 1.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 1ntk h GLU 6 CO 0.10 0.24 -0.04 1.49 -1.00 0.00 0.00 179.01 179.80 1ntk h GLU 7 N 0.00 0.28 -0.37 2.33 4.81 -1.50 -2.30 114.58 117.83 1ntk h GLU 7 Ca -0.00 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.04 1ntk h GLU 7 Cb 0.68 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 1ntk h GLU 7 CO 0.03 0.58 -0.06 0.93 -0.73 0.00 0.00 179.01 179.76 1ntk h GLU 8 N -0.03 0.62 -0.65 1.92 5.08 -1.57 -2.46 114.58 117.50 1ntk h GLU 8 Ca 0.04 -0.17 0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1ntk h GLU 8 Cb 0.48 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 1ntk h GLU 8 CO 0.02 0.69 0.43 0.93 -1.00 0.00 0.00 179.01 180.07 1ntk h GLU 9 N 0.58 0.65 0.28 2.33 3.07 -1.29 -2.70 114.58 117.50 1ntk h GLU 9 Ca 0.11 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.92 1ntk h GLU 9 Cb 0.46 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1ntk h GLU 9 CO 0.02 0.43 -0.14 0.93 -1.40 0.00 0.00 179.01 178.86 1ntk h GLU 10 N 0.67 -0.37 0.00 2.33 5.08 -0.93 -0.10 114.58 121.26 1ntk h GLU 10 Ca 0.28 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1ntk h GLU 10 Cb 0.24 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1ntk h GLU 10 CO -0.08 -0.24 0.00 0.39 -1.00 0.00 0.00 179.01 178.07 1ntk n GLU 11 N -4.13 0.32 0.00 2.33 1.02 -1.15 -2.76 120.64 116.27 1ntk n GLU 11 Ca -0.05 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1ntk n GLU 11 Cb 0.15 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 1ntk n GLU 11 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1ntk n GLU 12 N -1.06 1.63 0.00 3.49 2.13 -1.02 -5.11 120.64 120.71 1ntk n GLU 12 Ca 0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.90 1ntk n GLU 12 Cb 0.05 -0.95 0.00 0.00 0.27 0.00 0.00 31.44 30.81 1ntk n GLU 12 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1ntk n LEU 13 N -1.53 0.00 -0.77 4.31 4.77 -0.05 -5.06 117.00 118.67 1ntk n LEU 13 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ntk n LEU 13 Cb 0.16 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1ntk n LEU 13 CO 0.00 0.00 -0.19 0.52 -1.33 0.00 0.00 177.39 176.39 1ntk n VAL 14 N 0.00 -3.34 -3.39 4.08 0.31 -1.24 -4.65 118.33 110.09 1ntk n VAL 14 Ca 0.00 1.07 0.02 0.00 -0.01 0.00 0.00 64.34 65.41 1ntk n VAL 14 Cb 0.00 -2.15 -0.04 0.00 -0.91 0.00 0.00 33.84 30.74 1ntk n VAL 14 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1ntk s ASP 15 N -1.23 -0.49 0.66 4.52 2.15 -1.26 -5.05 116.67 115.97 1ntk s ASP 15 Ca 0.00 0.69 0.41 0.00 0.43 0.00 0.00 52.55 54.07 1ntk s ASP 15 Cb 0.00 1.53 2.25 0.00 -0.30 0.00 0.00 42.92 46.40 1ntk s ASP 15 CO 0.00 -0.10 2.30 -0.65 -0.17 0.00 0.00 175.17 176.55 1ntk h PRO 16 N 7.29 0.00 -0.20 4.34 0.11 -1.99 -3.00 132.00 138.56 1ntk h PRO 16 Ca -0.16 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.90 1ntk h PRO 16 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1ntk h PRO 16 CO 0.09 0.00 -0.07 1.25 -0.21 0.00 0.00 178.00 179.06 1ntk h LEU 17 N 0.00 0.40 -0.30 2.35 5.85 -1.96 -2.64 115.31 119.01 1ntk h LEU 17 Ca 0.00 -0.39 -0.13 0.00 0.84 0.00 0.00 57.88 58.20 1ntk h LEU 17 Cb 0.11 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1ntk h LEU 17 CO -0.00 0.70 -0.32 0.74 -0.34 0.00 0.00 178.44 179.22 1ntk h THR 18 N 0.10 1.30 -0.82 1.05 2.02 -1.95 0.40 112.91 115.00 1ntk h THR 18 Ca 0.05 -1.49 0.07 0.00 0.77 0.00 0.00 66.41 65.80 1ntk h THR 18 Cb 0.54 1.56 -0.05 0.00 -1.74 0.00 0.00 68.15 68.46 1ntk h THR 18 CO 0.02 0.48 0.54 0.00 0.37 0.00 0.00 175.52 176.93 1ntk h THR 19 N 0.50 1.04 0.06 3.16 1.03 -1.61 -1.78 112.91 115.31 1ntk h THR 19 Ca 0.05 -0.31 -0.10 0.00 -0.01 0.00 0.00 66.41 66.04 1ntk h THR 19 Cb 0.90 0.07 0.01 0.00 -1.07 0.00 0.00 68.15 68.06 1ntk h THR 19 CO 0.08 0.16 -0.43 0.58 -0.01 0.00 0.00 175.52 175.90 1ntk h VAL 20 N 0.89 1.62 -0.41 0.00 2.07 -1.31 -3.04 116.25 116.07 1ntk h VAL 20 Ca 0.36 -2.37 0.07 0.00 0.82 0.00 0.00 66.70 65.58 1ntk h VAL 20 Cb 0.24 3.19 -0.09 0.00 -1.52 0.00 0.00 31.29 33.11 1ntk h VAL 20 CO -0.13 0.65 -0.40 0.03 0.02 0.00 0.00 177.57 177.74 1ntk h ARG 21 N -0.61 -0.29 -0.50 1.57 3.08 0.00 0.37 114.38 117.99 1ntk h ARG 21 Ca -0.07 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.04 1ntk h ARG 21 Cb 1.30 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.39 1ntk h ARG 21 CO 0.08 -0.20 0.33 1.49 -1.07 0.00 0.00 179.97 180.61 1ntk h GLU 22 N -0.31 0.52 0.00 0.04 4.81 -1.47 0.65 114.58 118.82 1ntk h GLU 22 Ca 0.15 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.20 1ntk h GLU 22 Cb 0.57 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 1ntk h GLU 22 CO -0.57 0.34 -0.72 0.37 -0.73 0.00 0.00 179.01 177.70 1ntk h GLN 23 N 0.53 0.00 0.06 1.92 4.15 -1.01 -3.23 115.11 117.53 1ntk h GLN 23 Ca 0.21 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.35 1ntk h GLN 23 Cb 0.16 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 1ntk h GLN 23 CO -0.05 0.72 -1.43 0.00 -1.93 0.00 0.00 178.83 176.14 1ntk n GLU 25 N -3.34 0.33 -0.12 0.00 2.13 0.22 -2.84 120.64 117.03 1ntk n GLU 25 Ca -0.12 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.53 1ntk n GLU 25 Cb 1.02 -1.32 -0.13 0.00 0.27 0.00 0.00 31.44 31.28 1ntk n GLU 25 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1ntk n GLN 26 N -0.82 0.66 -2.40 5.31 7.27 -1.23 -4.23 117.38 121.94 1ntk n GLN 26 Ca 0.05 0.14 -0.35 0.00 0.07 0.00 0.00 57.00 56.91 1ntk n GLN 26 Cb 0.02 -1.53 -0.02 0.00 2.41 0.00 0.00 30.24 31.12 1ntk n GLN 26 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1ntk s LEU 27 N -6.44 3.86 0.00 1.69 2.01 -1.13 -4.51 118.68 114.16 1ntk s LEU 27 Ca -0.31 2.08 0.00 0.00 0.01 0.00 0.00 54.13 55.91 1ntk s LEU 27 Cb 0.09 -4.49 0.00 0.00 0.01 0.00 0.00 46.19 41.79 1ntk s LEU 27 CO 0.64 -0.94 0.00 1.21 1.01 0.00 0.00 176.35 178.27 1ntk n GLU 28 N -0.95 0.00 0.01 1.70 2.13 -1.26 0.04 120.64 122.31 1ntk n GLU 28 Ca 0.10 0.00 0.20 0.00 0.66 0.00 0.00 57.16 58.12 1ntk n GLU 28 Cb 0.51 0.00 0.70 0.00 0.27 0.00 0.00 31.44 32.92 1ntk n GLU 28 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1ntk h LYS 29 N 0.00 0.00 0.11 5.31 6.56 -1.96 -1.70 116.57 124.89 1ntk h LYS 29 Ca 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.58 1ntk h LYS 29 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1ntk h LYS 29 CO 0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 179.45 177.34 1ntk h VAL 31 N -0.98 0.82 -0.07 0.00 -1.51 -1.43 0.45 116.25 113.53 1ntk h VAL 31 Ca -0.02 -0.06 -0.11 0.00 -1.23 0.00 0.00 66.70 65.29 1ntk h VAL 31 Cb 0.42 0.61 0.00 0.00 -2.13 0.00 0.00 31.29 30.19 1ntk h VAL 31 CO 0.03 0.03 -0.37 0.50 -1.23 0.00 0.00 177.57 176.53 1ntk h LYS 32 N 0.19 0.38 0.00 5.19 3.64 -1.38 -1.10 116.57 123.49 1ntk h LYS 32 Ca 0.25 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1ntk h LYS 32 Cb 0.76 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1ntk h LYS 32 CO -0.04 0.95 0.00 0.00 -2.27 0.00 0.00 179.45 178.09 1ntk h ALA 33 N 0.43 1.00 0.15 5.00 0.00 0.77 -1.35 119.26 125.26 1ntk h ALA 33 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.56 1ntk h ALA 33 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1ntk h ALA 33 CO 0.08 0.00 -1.60 -0.09 0.00 0.00 0.00 179.25 177.64 1ntk h ARG 34 N 0.00 0.32 0.00 0.00 2.43 -0.19 -2.83 114.38 114.10 1ntk h ARG 34 Ca 0.00 -0.55 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 1ntk h ARG 34 Cb 0.56 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 1ntk h ARG 34 CO 0.00 1.21 0.00 -0.85 -1.51 0.00 0.00 179.97 178.82 1ntk n GLU 35 N -3.52 0.20 0.02 0.20 0.28 -0.42 0.17 120.64 117.58 1ntk n GLU 35 Ca -0.19 0.31 -0.06 0.00 -0.16 0.00 0.00 57.16 57.06 1ntk n GLU 35 Cb 1.06 -1.80 -0.12 0.00 1.43 0.00 0.00 31.44 32.01 1ntk n GLU 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ntk h ARG 36 N 0.00 0.00 0.17 3.44 3.08 -1.34 -2.79 114.38 116.94 1ntk h ARG 36 Ca 0.00 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.75 1ntk h ARG 36 Cb 0.50 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.57 1ntk h ARG 36 CO 0.00 0.64 -1.41 1.25 -1.07 0.00 0.00 179.97 179.38 1ntk h LEU 37 N 0.00 0.55 -0.47 3.04 5.85 -0.93 -3.01 115.31 120.34 1ntk h LEU 37 Ca -0.16 -0.64 -0.17 0.00 0.84 0.00 0.00 57.88 57.75 1ntk h LEU 37 Cb 1.84 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.68 1ntk h LEU 37 CO 0.09 1.51 -0.64 -0.33 -0.34 0.00 0.00 178.44 178.73 1ntk h GLU 38 N 0.10 0.45 -0.58 1.25 5.08 0.17 0.29 114.58 121.33 1ntk h GLU 38 Ca -0.21 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1ntk h GLU 38 Cb 2.05 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 31.33 1ntk h GLU 38 CO 0.21 0.95 0.35 -0.07 -1.00 0.00 0.00 179.01 179.45 1ntk h LEU 39 N 0.33 0.70 -0.28 1.33 3.38 -1.59 -0.12 115.31 119.06 1ntk h LEU 39 Ca -0.01 -0.06 -0.20 0.00 0.09 0.00 0.00 57.88 57.69 1ntk h LEU 39 Cb 1.20 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1ntk h LEU 39 CO 0.11 0.55 -0.86 0.00 0.09 0.00 0.00 178.44 178.33 1ntk h ASP 41 N 0.18 -1.46 -0.08 0.00 3.32 -0.09 -0.64 116.42 117.65 1ntk h ASP 41 Ca -0.05 0.13 0.04 0.00 0.02 0.00 0.00 57.03 57.16 1ntk h ASP 41 Cb 1.48 0.50 -0.04 0.00 0.22 0.00 0.00 39.33 41.48 1ntk h ASP 41 CO 0.14 -0.65 -0.18 -0.33 -1.72 0.00 0.00 179.24 176.51 1ntk h GLU 42 N -0.95 -0.24 -1.05 3.56 5.08 -1.08 -2.37 114.58 117.52 1ntk h GLU 42 Ca -0.05 0.02 0.30 0.00 -1.00 0.00 0.00 59.36 58.63 1ntk h GLU 42 Cb 0.85 0.05 -0.13 0.00 0.50 0.00 0.00 28.75 30.03 1ntk h GLU 42 CO -0.13 -0.16 0.63 -0.09 -1.00 0.00 0.00 179.01 178.27 1ntk h ARG 43 N -0.25 0.37 0.00 2.33 2.43 -0.48 1.76 114.38 120.55 1ntk h ARG 43 Ca 0.08 -0.02 -0.23 0.00 -0.81 0.00 0.00 59.98 59.00 1ntk h ARG 43 Cb 0.36 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 1ntk h ARG 43 CO -0.23 0.25 -1.94 0.28 -1.51 0.00 0.00 179.97 176.82 1ntk n VAL 44 N -4.86 1.10 1.12 0.20 0.31 -0.30 -3.72 118.33 112.18 1ntk n VAL 44 Ca 0.30 -0.74 0.12 0.00 -0.01 0.00 0.00 64.34 64.01 1ntk n VAL 44 Cb 0.95 -0.53 0.34 0.00 -0.91 0.00 0.00 33.84 33.69 1ntk n VAL 44 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1ntk n SER 45 N -2.74 2.21 -0.01 4.52 3.41 -0.86 -3.37 113.62 116.78 1ntk n SER 45 Ca -0.19 -1.75 -0.00 0.00 -0.26 0.00 0.00 58.87 56.67 1ntk n SER 45 Cb 0.94 -0.07 -0.00 0.00 -0.26 0.00 0.00 64.21 64.82 1ntk n SER 45 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1ntk h SER 46 N 3.21 -0.01 -0.19 4.04 0.87 0.26 -3.25 113.55 118.47 1ntk h SER 46 Ca 0.00 0.00 -0.68 0.00 -1.23 0.00 0.00 61.79 59.88 1ntk h SER 46 Cb 0.69 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 1ntk h SER 46 CO 0.00 0.14 3.61 0.54 -0.53 0.00 0.00 176.83 180.59 1ntk n ARG 47 N -2.86 3.82 0.00 2.24 1.74 -1.24 -4.79 116.66 115.58 1ntk n ARG 47 Ca -0.00 -2.42 0.00 0.00 -0.77 0.00 0.00 57.85 54.66 1ntk n ARG 47 Cb 0.01 -2.79 0.00 0.00 -1.02 0.00 0.00 32.46 28.66 1ntk n ARG 47 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1ntk n SER 48 N 3.36 0.00 -3.84 0.55 2.88 -1.22 -4.62 113.62 110.73 1ntk n SER 48 Ca 0.75 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 58.19 1ntk n SER 48 Cb 0.24 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.62 1ntk n SER 48 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1ntk s GLN 49 N -0.49 0.74 -0.45 -1.46 -1.52 -1.26 -4.96 119.66 110.25 1ntk s GLN 49 Ca 0.00 -0.72 -0.40 0.00 -1.95 0.00 0.00 55.36 52.29 1ntk s GLN 49 Cb 0.00 0.31 0.06 0.00 -0.22 0.00 0.00 33.01 33.16 1ntk s GLN 49 CO 0.00 -0.22 0.67 -2.37 -0.25 0.00 0.00 175.29 173.12 1ntk n THR 50 N 0.47 -3.89 -3.03 -0.19 5.66 -1.26 -5.01 114.28 107.02 1ntk n THR 50 Ca -0.18 0.08 0.00 0.00 -3.05 0.00 0.00 64.05 60.90 1ntk n THR 50 Cb 0.60 -3.53 0.00 0.00 -1.55 0.00 0.00 70.33 65.85 1ntk n THR 50 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1ntk n GLU 51 N -0.18 0.00 0.00 1.09 2.13 -1.26 -5.17 120.64 117.24 1ntk n GLU 51 Ca -0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.73 1ntk n GLU 51 Cb 0.69 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.40 1ntk n GLU 51 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1ntk n GLU 52 N 0.00 0.53 -2.69 5.31 0.28 -1.26 -5.14 120.64 117.67 1ntk n GLU 52 Ca 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 56.94 1ntk n GLU 52 Cb 0.00 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 32.85 1ntk n GLU 52 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1ntk n ASP 53 N 0.00 0.17 -0.54 -1.84 2.03 -1.26 -5.09 116.55 110.02 1ntk n ASP 53 Ca 0.00 -1.66 -0.02 0.00 0.52 0.00 0.00 54.79 53.63 1ntk n ASP 53 Cb 0.00 0.44 -0.02 0.00 -0.72 0.00 0.00 41.12 40.83 1ntk n ASP 53 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ntk h THR 55 N 3.84 0.82 -0.48 0.00 2.02 -2.02 -3.25 112.91 113.84 1ntk h THR 55 Ca -0.14 -0.12 0.08 0.00 0.77 0.00 0.00 66.41 67.01 1ntk h THR 55 Cb 0.90 0.45 -0.10 0.00 -1.74 0.00 0.00 68.15 67.66 1ntk h THR 55 CO -0.07 0.06 -0.42 -0.08 0.37 0.00 0.00 175.52 175.39 1ntk h GLU 56 N 0.34 -0.27 0.00 6.66 4.81 -2.01 -2.47 114.58 121.64 1ntk h GLU 56 Ca 0.24 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1ntk h GLU 56 Cb 0.26 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1ntk h GLU 56 CO -0.25 -0.18 0.00 0.93 -0.73 0.00 0.00 179.01 178.78 1ntk h GLU 57 N -0.28 0.00 0.05 1.92 3.07 -1.93 -2.77 114.58 114.64 1ntk h GLU 57 Ca 0.16 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.02 1ntk h GLU 57 Cb 0.57 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 1ntk h GLU 57 CO -0.62 0.00 -0.03 1.25 -1.40 0.00 0.00 179.01 178.22 1ntk h LEU 58 N 0.00 -0.06 -0.88 1.33 5.85 -1.57 -3.27 115.31 116.71 1ntk h LEU 58 Ca 0.00 -0.59 0.17 0.00 0.84 0.00 0.00 57.88 58.30 1ntk h LEU 58 Cb 0.31 0.02 -0.10 0.00 0.37 0.00 0.00 40.66 41.26 1ntk h LEU 58 CO 0.00 0.63 0.45 -0.07 -0.34 0.00 0.00 178.44 179.10 1ntk h LEU 59 N -0.82 0.51 -1.56 2.25 3.38 -1.35 0.08 115.31 117.80 1ntk h LEU 59 Ca -0.01 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1ntk h LEU 59 Cb 0.65 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1ntk h LEU 59 CO 0.01 0.17 -0.07 0.44 0.09 0.00 0.00 178.44 179.08 1ntk h ASP 60 N 0.58 0.18 -0.04 -0.43 3.32 -1.65 -0.84 116.42 117.54 1ntk h ASP 60 Ca 0.50 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.49 1ntk h ASP 60 Cb 0.80 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1ntk h ASP 60 CO -0.41 0.28 -0.11 0.15 -1.72 0.00 0.00 179.24 177.43 1ntk h PHE 61 N 0.19 0.19 -0.12 4.55 3.04 -1.07 -3.06 116.94 120.66 1ntk h PHE 61 Ca 0.04 -0.08 -0.02 0.00 3.98 0.00 0.00 57.97 61.89 1ntk h PHE 61 Cb 0.26 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.73 1ntk h PHE 61 CO 0.00 0.73 -0.03 -0.07 -2.02 0.00 0.00 178.31 176.92 1ntk h LEU 62 N -0.40 0.15 0.85 0.59 3.38 -0.90 -1.67 115.31 117.31 1ntk h LEU 62 Ca -0.00 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1ntk h LEU 62 Cb 0.73 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.45 1ntk h LEU 62 CO 0.02 0.22 -0.41 -0.74 0.09 0.00 0.00 178.44 177.62 1ntk h HIS 63 N 0.17 -1.05 -0.85 1.13 2.76 -1.20 0.34 115.15 116.44 1ntk h HIS 63 Ca 0.04 -0.02 0.11 0.00 -2.20 0.00 0.00 60.37 58.30 1ntk h HIS 63 Cb 0.17 0.35 -0.06 0.00 1.55 0.00 0.00 27.41 29.42 1ntk h HIS 63 CO 0.00 -0.66 0.55 0.00 -1.30 0.00 0.00 177.93 176.53 1ntk h ALA 64 N -1.34 1.75 0.13 5.26 0.00 -1.41 -0.64 119.26 123.00 1ntk h ALA 64 Ca -0.12 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1ntk h ALA 64 Cb 0.87 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1ntk h ALA 64 CO 0.19 0.06 -0.06 -0.09 0.00 0.00 0.00 179.25 179.34 1ntk h ARG 65 N 0.76 -0.17 0.00 0.00 2.43 -1.31 -3.30 114.38 112.79 1ntk h ARG 65 Ca 0.40 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.58 1ntk h ARG 65 Cb 0.52 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1ntk h ARG 65 CO -0.17 -0.11 0.39 -0.44 -1.51 0.00 0.00 179.97 178.13 1ntk h ASP 66 N -0.59 0.00 0.29 -3.80 3.32 -0.84 0.13 116.42 114.94 1ntk h ASP 66 Ca -0.02 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1ntk h ASP 66 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1ntk h ASP 66 CO 0.03 0.00 -0.14 -0.74 -1.72 0.00 0.00 179.24 176.67 1ntk h HIS 67 N 0.00 -0.36 0.00 4.55 2.76 -1.21 -2.33 115.15 118.55 1ntk h HIS 67 Ca 0.00 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1ntk h HIS 67 Cb 0.78 0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.86 1ntk h HIS 67 CO 0.00 -0.23 0.00 0.00 -1.30 0.00 0.00 177.93 176.40 1ntk h VAL 69 N 0.00 1.31 0.00 0.00 2.07 -0.79 -3.19 116.25 115.65 1ntk h VAL 69 Ca 0.00 -0.95 -0.05 0.00 0.82 0.00 0.00 66.70 66.52 1ntk h VAL 69 Cb 0.21 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1ntk h VAL 69 CO 0.00 0.25 -0.21 0.00 0.02 0.00 0.00 177.57 177.63 1ntk h ALA 70 N 0.62 1.52 -0.31 1.67 0.00 -0.61 -0.82 119.26 121.33 1ntk h ALA 70 Ca 0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1ntk h ALA 70 Cb 0.42 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1ntk h ALA 70 CO 0.00 0.27 0.13 1.25 0.00 0.00 0.00 179.25 180.90 1ntk h HIS 71 N 0.00 0.47 0.00 0.00 2.76 -1.47 -3.39 115.15 113.52 1ntk h HIS 71 Ca -0.00 -0.03 -0.23 0.00 -2.20 0.00 0.00 60.37 57.90 1ntk h HIS 71 Cb 0.41 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 29.19 1ntk h HIS 71 CO 0.00 0.45 -1.88 1.63 -1.30 0.00 0.00 177.93 176.82 1ntk n LYS 72 N -4.73 1.31 -0.26 5.26 5.02 -1.18 -4.78 118.16 118.80 1ntk n LYS 72 Ca -0.02 0.03 -0.06 0.00 -2.02 0.00 0.00 58.31 56.25 1ntk n LYS 72 Cb 0.13 -1.32 -0.05 0.00 -0.02 0.00 0.00 35.03 33.77 1ntk n LYS 72 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1ntk n LEU 73 N -2.67 -0.63 0.16 -0.35 0.00 -0.32 -1.65 117.00 111.53 1ntk n LEU 73 Ca -0.24 1.13 0.11 0.00 0.00 0.00 0.00 56.01 57.01 1ntk n LEU 73 Cb 0.87 -0.16 0.58 0.00 0.00 0.00 0.00 43.42 44.70 1ntk n LEU 73 CO 0.22 -0.93 0.83 0.49 0.00 0.00 0.00 177.39 178.00 1ntk n PHE 74 N -4.82 0.72 0.18 1.96 3.01 -1.26 -1.56 117.46 115.69 1ntk n PHE 74 Ca 0.02 0.38 0.05 0.00 1.01 0.00 0.00 57.45 58.91 1ntk n PHE 74 Cb 0.18 -1.09 0.30 0.00 -0.01 0.00 0.00 39.48 38.86 1ntk n PHE 74 CO 0.00 0.00 0.00 -0.97 1.01 0.00 0.00 176.76 176.80 1ntk h ASN 75 N 0.00 0.00 0.13 4.37 -1.24 -1.66 -3.25 115.58 113.93 1ntk h ASN 75 Ca 0.00 0.00 -0.26 0.00 0.71 0.00 0.00 56.30 56.75 1ntk h ASN 75 Cb 0.04 0.00 0.03 0.00 0.73 0.00 0.00 38.32 39.12 1ntk h ASN 75 CO 0.00 0.39 -1.10 0.28 -1.29 0.00 0.00 177.43 175.71 1ntk h SER 76 N 0.00 0.74 -2.75 1.15 0.02 -1.46 -3.45 113.55 107.79 1ntk h SER 76 Ca -0.00 -0.86 -0.52 0.00 -0.84 0.00 0.00 61.79 59.56 1ntk h SER 76 Cb 0.95 -0.23 0.06 0.00 0.14 0.00 0.00 62.40 63.32 1ntk h SER 76 CO 0.05 1.53 0.99 -0.76 -1.14 0.00 0.00 176.83 177.50 1ntk s LEU 77 N -7.90 4.37 0.00 5.07 1.43 -1.23 -5.10 118.68 115.32 1ntk s LEU 77 Ca -0.11 2.85 0.00 0.00 -1.03 0.00 0.00 54.13 55.84 1ntk s LEU 77 Cb 0.04 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.66 1ntk s LEU 77 CO 0.90 -0.95 0.00 1.17 0.23 0.00 0.00 176.35 177.70