#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqx s LEU 13 N 0.00 4.14 -0.55 4.31 0.05 -1.26 -5.01 118.68 120.36 1sqx s LEU 13 Ca 0.00 0.38 -0.18 0.00 0.05 0.00 0.00 54.13 54.37 1sqx s LEU 13 Cb 0.00 -2.99 0.09 0.00 -2.05 0.00 0.00 46.19 41.25 1sqx s LEU 13 CO 0.00 -0.68 0.63 -0.69 -0.55 0.00 0.00 176.35 175.06 1sqx s VAL 14 N 2.99 4.92 -0.14 1.48 1.01 -1.26 -5.04 120.40 124.37 1sqx s VAL 14 Ca 0.30 -0.95 -0.29 0.00 0.00 0.00 0.00 61.98 61.04 1sqx s VAL 14 Cb -0.14 -4.39 -0.02 0.00 0.00 0.00 0.00 36.38 31.84 1sqx s VAL 14 CO 0.16 -0.96 1.24 -0.62 0.00 0.00 0.00 175.10 174.91 1sqx s ASP 15 N 3.31 6.98 0.61 3.32 -1.08 -1.26 -4.96 116.67 123.58 1sqx s ASP 15 Ca 0.10 1.70 0.39 0.00 -0.52 0.00 0.00 52.55 54.23 1sqx s ASP 15 Cb -0.24 -2.54 1.94 0.00 -1.46 0.00 0.00 42.92 40.62 1sqx s ASP 15 CO 0.07 -0.71 2.20 -0.65 0.52 0.00 0.00 175.17 176.60 1sqx h PRO 16 N 7.99 0.00 -0.65 4.34 0.11 -1.98 -2.84 132.00 138.97 1sqx h PRO 16 Ca -0.28 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.79 1sqx h PRO 16 Cb 1.11 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 1sqx h PRO 16 CO 0.95 0.01 0.25 1.25 -0.21 0.00 0.00 178.00 180.25 1sqx h LEU 17 N 0.00 0.88 -0.33 2.35 5.85 -1.94 -1.23 115.31 120.89 1sqx h LEU 17 Ca -0.00 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.60 1sqx h LEU 17 Cb 0.23 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1sqx h LEU 17 CO 0.00 0.80 0.21 0.74 -0.34 0.00 0.00 178.44 179.85 1sqx h THR 18 N 0.94 1.07 -0.83 1.05 2.02 -1.93 0.15 112.91 115.39 1sqx h THR 18 Ca 0.22 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 1sqx h THR 18 Cb 0.20 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 1sqx h THR 18 CO -0.02 0.08 0.48 0.74 0.37 0.00 0.00 175.52 177.17 1sqx h THR 19 N 0.43 1.24 0.04 3.16 2.02 -1.58 -2.87 112.91 115.34 1sqx h THR 19 Ca 0.12 -0.55 -0.07 0.00 0.77 0.00 0.00 66.41 66.69 1sqx h THR 19 Cb -0.04 0.09 0.01 0.00 -1.74 0.00 0.00 68.15 66.47 1sqx h THR 19 CO -0.04 0.26 -0.28 0.58 0.37 0.00 0.00 175.52 176.41 1sqx h VAL 20 N 1.15 1.65 -0.78 3.16 2.07 -1.08 -3.01 116.25 119.41 1sqx h VAL 20 Ca 0.30 -2.28 0.07 0.00 0.82 0.00 0.00 66.70 65.61 1sqx h VAL 20 Cb -0.01 3.17 -0.06 0.00 -1.52 0.00 0.00 31.29 32.86 1sqx h VAL 20 CO -0.05 0.61 0.46 0.03 0.02 0.00 0.00 177.57 178.64 1sqx h ARG 21 N -0.70 0.79 -0.60 1.57 3.08 -0.77 0.17 114.38 117.93 1sqx h ARG 21 Ca -0.05 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 1sqx h ARG 21 Cb 1.17 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 31.01 1sqx h ARG 21 CO 0.05 0.52 0.28 0.93 -1.07 0.00 0.00 179.97 180.69 1sqx h GLU 22 N 0.81 0.86 0.00 0.04 5.08 -1.64 -1.51 114.58 118.23 1sqx h GLU 22 Ca 0.35 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.52 1sqx h GLU 22 Cb 0.24 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1sqx h GLU 22 CO -0.20 0.70 -0.28 1.96 -1.00 0.00 0.00 179.01 180.19 1sqx h GLN 23 N 0.81 0.00 0.25 2.33 1.08 -1.26 -3.07 115.11 115.24 1sqx h GLN 23 Ca 0.20 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 57.07 1sqx h GLN 23 Cb 0.13 0.00 0.04 0.00 -0.05 0.00 0.00 27.48 27.60 1sqx h GLN 23 CO -0.02 0.28 -1.50 0.00 -0.95 0.00 0.00 178.83 176.64 1sqx h GLU 25 N 0.14 0.00 0.00 0.00 5.08 -1.25 -2.30 114.58 116.26 1sqx h GLU 25 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1sqx h GLU 25 Cb 2.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.41 1sqx h GLU 25 CO 0.27 0.27 0.00 0.00 -1.00 0.00 0.00 179.01 178.54 1sqx n GLN 26 N -4.08 0.41 -2.67 2.33 10.64 -1.17 -3.97 117.38 118.87 1sqx n GLN 26 Ca -0.02 0.04 -0.32 0.00 -1.83 0.00 0.00 57.00 54.88 1sqx n GLN 26 Cb 0.33 -1.50 -0.04 0.00 -0.86 0.00 0.00 30.24 28.17 1sqx n GLN 26 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1sqx s LEU 27 N -2.51 3.77 0.25 2.61 1.43 -0.87 -4.93 118.68 118.44 1sqx s LEU 27 Ca 0.26 1.41 -0.03 0.00 -1.03 0.00 0.00 54.13 54.73 1sqx s LEU 27 Cb 0.17 -4.30 0.30 0.00 0.03 0.00 0.00 46.19 42.38 1sqx s LEU 27 CO 0.37 -0.46 1.76 -0.08 0.23 0.00 0.00 176.35 178.18 1sqx h GLU 28 N 1.27 0.89 -0.83 1.70 4.22 -1.88 -1.43 114.58 118.52 1sqx h GLU 28 Ca -0.47 -0.22 -0.02 0.00 0.08 0.00 0.00 59.36 58.73 1sqx h GLU 28 Cb 1.18 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.28 1sqx h GLU 28 CO 0.63 0.84 0.43 0.87 -2.18 0.00 0.00 179.01 179.60 1sqx h LYS 29 N 0.84 1.17 -0.16 1.92 1.57 -1.94 -3.23 116.57 116.73 1sqx h LYS 29 Ca 0.17 -0.15 -0.15 0.00 -1.87 0.00 0.00 60.65 58.66 1sqx h LYS 29 Cb 0.40 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1sqx h LYS 29 CO 0.01 0.87 -0.52 0.00 -0.57 0.00 0.00 179.45 179.24 1sqx h VAL 31 N 0.34 1.09 -0.11 0.00 2.07 -1.55 0.23 116.25 118.32 1sqx h VAL 31 Ca 0.01 -0.28 -0.12 0.00 0.82 0.00 0.00 66.70 67.13 1sqx h VAL 31 Cb 1.03 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1sqx h VAL 31 CO 0.09 0.15 -0.47 0.11 0.02 0.00 0.00 177.57 177.47 1sqx h LYS 32 N 0.80 0.28 0.00 1.57 1.57 -1.62 -2.06 116.57 117.11 1sqx h LYS 32 Ca 0.26 -0.15 -0.25 0.00 -1.87 0.00 0.00 60.65 58.64 1sqx h LYS 32 Cb 0.01 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 1sqx h LYS 32 CO -0.10 0.70 -1.45 0.00 -0.57 0.00 0.00 179.45 178.03 1sqx h ALA 33 N 1.28 0.65 -0.61 3.86 0.00 -1.33 -2.63 119.26 120.47 1sqx h ALA 33 Ca 0.01 -1.23 -0.07 0.00 0.00 0.00 0.00 54.91 53.63 1sqx h ALA 33 Cb 0.92 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1sqx h ALA 33 CO 0.08 1.40 0.10 -0.09 0.00 0.00 0.00 179.25 180.74 1sqx h ARG 34 N 0.00 0.99 0.20 0.00 9.65 -0.63 -3.02 114.38 121.56 1sqx h ARG 34 Ca -0.19 -0.24 -0.00 0.00 -1.10 0.00 0.00 59.98 58.44 1sqx h ARG 34 Cb 1.89 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 30.33 1sqx h ARG 34 CO 0.09 0.91 -0.14 0.93 2.80 0.00 0.00 179.97 184.56 1sqx h GLU 35 N 0.93 -0.33 0.00 0.20 5.08 -1.32 -0.43 114.58 118.71 1sqx h GLU 35 Ca 0.19 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 1sqx h GLU 35 Cb 0.40 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1sqx h GLU 35 CO 0.01 -0.22 -0.08 -0.09 -1.00 0.00 0.00 179.01 177.63 1sqx h ARG 36 N -0.34 0.00 -0.12 2.33 1.12 -1.59 0.30 114.38 116.08 1sqx h ARG 36 Ca -0.01 0.00 -0.14 0.00 -1.11 0.00 0.00 59.98 58.71 1sqx h ARG 36 Cb 0.30 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 30.26 1sqx h ARG 36 CO 0.00 0.08 -0.48 1.25 -3.11 0.00 0.00 179.97 177.71 1sqx h LEU 37 N 0.00 0.64 -0.91 3.80 7.12 -1.42 -2.41 115.31 122.13 1sqx h LEU 37 Ca -0.00 -0.62 -0.05 0.00 0.13 0.00 0.00 57.88 57.34 1sqx h LEU 37 Cb 0.74 -0.19 -0.03 0.00 -0.53 0.00 0.00 40.66 40.65 1sqx h LEU 37 CO 0.01 1.15 0.24 -0.33 -0.13 0.00 0.00 178.44 179.39 1sqx h GLU 38 N 0.16 1.04 -0.05 1.25 5.08 -0.60 0.20 114.58 121.65 1sqx h GLU 38 Ca -0.03 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.06 1sqx h GLU 38 Cb 1.12 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 1sqx h GLU 38 CO 0.10 0.87 -0.35 -0.07 -1.00 0.00 0.00 179.01 178.56 1sqx h LEU 39 N 1.01 0.10 -0.43 1.33 3.38 -1.04 -2.38 115.31 117.27 1sqx h LEU 39 Ca 0.23 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 58.00 1sqx h LEU 39 Cb 0.24 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1sqx h LEU 39 CO -0.01 0.45 -0.43 0.00 0.09 0.00 0.00 178.44 178.53 1sqx h ASP 41 N 0.67 0.76 0.77 0.00 3.32 -0.13 -2.45 116.42 119.36 1sqx h ASP 41 Ca 0.04 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.99 1sqx h ASP 41 Cb 1.01 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.39 1sqx h ASP 41 CO 0.10 0.51 -0.54 -0.33 -1.72 0.00 0.00 179.24 177.26 1sqx h GLU 42 N 0.90 0.00 0.00 3.56 5.08 -1.57 -3.32 114.58 119.24 1sqx h GLU 42 Ca 0.32 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.63 1sqx h GLU 42 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1sqx h GLU 42 CO -0.14 0.54 -0.24 0.00 -1.00 0.00 0.00 179.01 178.17 1sqx h ARG 43 N 0.00 0.00 0.01 2.33 3.08 -1.43 -3.30 114.38 115.06 1sqx h ARG 43 Ca -0.01 0.00 -0.40 0.00 0.07 0.00 0.00 59.98 59.64 1sqx h ARG 43 Cb 1.07 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.06 1sqx h ARG 43 CO 0.07 0.24 -2.30 0.28 -1.07 0.00 0.00 179.97 177.19 1sqx n VAL 44 N -3.36 1.54 0.30 2.04 0.31 -1.20 -3.63 118.33 114.33 1sqx n VAL 44 Ca 0.00 -0.42 0.16 0.00 -0.01 0.00 0.00 64.34 64.07 1sqx n VAL 44 Cb 0.46 -1.75 0.94 0.00 -0.91 0.00 0.00 33.84 32.58 1sqx n VAL 44 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1sqx h SER 45 N -0.59 0.00 0.08 4.52 4.64 -1.75 -3.27 113.55 117.17 1sqx h SER 45 Ca -0.59 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.72 1sqx h SER 45 Cb 1.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.79 1sqx h SER 45 CO -0.25 0.01 -0.04 -1.28 -0.87 0.00 0.00 176.83 174.41 1sqx h SER 46 N 0.00 -0.09 -4.40 4.97 0.87 -1.65 -3.47 113.55 109.78 1sqx h SER 46 Ca -0.00 -0.31 -0.50 0.00 -1.23 0.00 0.00 61.79 59.75 1sqx h SER 46 Cb 0.02 0.02 0.07 0.00 -0.44 0.00 0.00 62.40 62.08 1sqx h SER 46 CO 0.00 0.27 0.41 -0.13 -0.53 0.00 0.00 176.83 176.85 1sqx s ARG 47 N -4.76 3.23 0.05 2.24 1.81 -1.23 -5.02 118.95 115.27 1sqx s ARG 47 Ca -0.15 0.64 -0.33 0.00 -1.72 0.00 0.00 55.73 54.17 1sqx s ARG 47 Cb 0.03 -2.05 -0.19 0.00 -0.45 0.00 0.00 34.95 32.29 1sqx s ARG 47 CO 0.64 -0.81 1.47 1.03 -0.68 0.00 0.00 175.30 176.95 1sqx h SER 48 N -0.49 -0.89 -1.10 0.23 0.87 -1.90 -3.38 113.55 106.88 1sqx h SER 48 Ca -0.44 0.02 -0.37 0.00 -1.23 0.00 0.00 61.79 59.76 1sqx h SER 48 Cb 1.22 0.23 -0.29 0.00 -0.44 0.00 0.00 62.40 63.12 1sqx h SER 48 CO 0.62 -0.59 -0.87 1.67 -0.53 0.00 0.00 176.83 177.13 1sqx n GLN 49 N -5.51 1.00 -2.09 2.24 7.27 -1.26 -5.14 117.38 113.89 1sqx n GLN 49 Ca -0.14 -2.75 -0.41 0.00 0.07 0.00 0.00 57.00 53.76 1sqx n GLN 49 Cb 0.43 -1.37 -0.02 0.00 2.41 0.00 0.00 30.24 31.68 1sqx n GLN 49 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 1sqx s THR 50 N -1.31 2.78 -1.15 1.69 -1.32 -1.26 -4.94 115.64 110.13 1sqx s THR 50 Ca 0.32 0.69 0.25 0.00 -1.21 0.00 0.00 61.69 61.74 1sqx s THR 50 Cb 0.33 -3.44 0.06 0.00 -1.51 0.00 0.00 72.50 67.94 1sqx s THR 50 CO -0.06 0.13 1.45 -0.62 -2.21 0.00 0.00 174.62 173.31 1sqx n GLU 51 N 1.87 0.16 -2.16 7.08 1.02 -1.26 -4.99 120.64 122.37 1sqx n GLU 51 Ca 0.04 -0.09 -0.43 0.00 -0.02 0.00 0.00 57.16 56.66 1sqx n GLU 51 Cb 0.41 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.31 1sqx n GLU 51 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1sqx s GLU 52 N -2.90 3.59 0.51 3.49 2.12 -1.26 -4.95 118.70 119.29 1sqx s GLU 52 Ca 0.14 1.36 -0.13 0.00 0.36 0.00 0.00 54.97 56.70 1sqx s GLU 52 Cb 0.18 -4.08 -0.06 0.00 0.26 0.00 0.00 34.13 30.43 1sqx s GLU 52 CO 0.66 -1.55 0.92 -0.51 -0.54 0.00 0.00 175.26 174.24 1sqx s ASP 53 N 4.69 6.47 -0.28 -1.70 1.01 -1.26 -4.92 116.67 120.69 1sqx s ASP 53 Ca 0.71 1.36 0.12 0.00 0.71 0.00 0.00 52.55 55.44 1sqx s ASP 53 Cb -0.20 -2.43 0.68 0.00 1.01 0.00 0.00 42.92 41.98 1sqx s ASP 53 CO 0.31 -0.60 1.68 0.00 0.21 0.00 0.00 175.17 176.77 1sqx h THR 55 N 2.46 1.07 -0.83 0.00 2.02 -2.00 -2.62 112.91 113.01 1sqx h THR 55 Ca 0.17 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.18 1sqx h THR 55 Cb 2.02 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 69.10 1sqx h THR 55 CO 0.55 0.07 0.43 -0.08 0.37 0.00 0.00 175.52 176.86 1sqx h GLU 56 N 0.34 1.18 0.00 6.66 4.81 -2.00 -2.07 114.58 123.49 1sqx h GLU 56 Ca 0.09 -0.16 -0.18 0.00 -0.13 0.00 0.00 59.36 58.99 1sqx h GLU 56 Cb -0.03 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.10 1sqx h GLU 56 CO -0.02 0.89 -1.18 0.93 -0.73 0.00 0.00 179.01 178.90 1sqx h GLU 57 N 1.17 0.00 0.10 1.92 3.07 -1.87 -2.41 114.58 116.56 1sqx h GLU 57 Ca 0.29 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.15 1sqx h GLU 57 Cb 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.98 1sqx h GLU 57 CO -0.04 0.46 -0.05 1.25 -1.40 0.00 0.00 179.01 179.23 1sqx h LEU 58 N 0.00 -0.11 -0.97 1.33 5.85 -1.36 -2.91 115.31 117.15 1sqx h LEU 58 Ca -0.12 -0.30 -0.06 0.00 0.84 0.00 0.00 57.88 58.24 1sqx h LEU 58 Cb 1.62 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.66 1sqx h LEU 58 CO 0.07 0.25 0.11 -0.07 -0.34 0.00 0.00 178.44 178.46 1sqx h LEU 59 N -0.48 0.81 -0.76 2.25 3.38 -1.44 0.51 115.31 119.57 1sqx h LEU 59 Ca -0.01 -0.16 0.12 0.00 0.09 0.00 0.00 57.88 57.92 1sqx h LEU 59 Cb 0.40 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 40.85 1sqx h LEU 59 CO 0.02 0.81 0.35 0.44 0.09 0.00 0.00 178.44 180.15 1sqx h ASP 60 N 0.83 0.41 -0.05 -0.43 5.19 -1.53 0.94 116.42 121.76 1sqx h ASP 60 Ca 0.18 0.09 -0.18 0.00 -0.62 0.00 0.00 57.03 56.49 1sqx h ASP 60 Cb 0.33 0.03 0.01 0.00 0.18 0.00 0.00 39.33 39.88 1sqx h ASP 60 CO 0.00 0.19 -0.68 0.15 -3.12 0.00 0.00 179.24 175.79 1sqx h PHE 61 N 0.55 0.79 -0.73 4.55 3.57 -1.07 -3.10 116.94 121.50 1sqx h PHE 61 Ca 0.40 -0.39 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1sqx h PHE 61 Cb 0.53 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 1sqx h PHE 61 CO -0.13 1.20 0.38 -0.07 -2.23 0.00 0.00 178.31 177.47 1sqx h LEU 62 N 0.15 0.92 -0.26 0.59 3.38 -0.84 -0.90 115.31 118.34 1sqx h LEU 62 Ca -0.07 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 57.88 1sqx h LEU 62 Cb 1.35 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 41.79 1sqx h LEU 62 CO 0.14 0.75 -0.30 -0.74 0.09 0.00 0.00 178.44 178.38 1sqx h HIS 63 N 1.03 -0.84 -0.06 1.13 2.76 -0.82 0.23 115.15 118.58 1sqx h HIS 63 Ca 0.26 0.05 -0.13 0.00 -2.20 0.00 0.00 60.37 58.34 1sqx h HIS 63 Cb 0.06 0.41 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 1sqx h HIS 63 CO 0.01 -0.37 -0.56 0.00 -1.30 0.00 0.00 177.93 175.70 1sqx h ALA 64 N 0.64 0.95 0.11 5.26 0.00 -1.44 -2.83 119.26 121.95 1sqx h ALA 64 Ca 0.13 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1sqx h ALA 64 Cb 0.52 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1sqx h ALA 64 CO -0.43 0.70 -0.05 -0.09 0.00 0.00 0.00 179.25 179.37 1sqx h ARG 65 N 0.13 -0.14 -0.13 0.00 1.12 -0.86 -3.19 114.38 111.31 1sqx h ARG 65 Ca -0.00 0.01 -0.10 0.00 -1.11 0.00 0.00 59.98 58.78 1sqx h ARG 65 Cb 1.03 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 31.01 1sqx h ARG 65 CO 0.08 0.35 -0.36 -0.44 -3.11 0.00 0.00 179.97 176.49 1sqx h ASP 66 N -0.86 0.27 -0.54 -3.80 3.32 -0.65 0.11 116.42 114.26 1sqx h ASP 66 Ca -0.02 -0.10 0.10 0.00 0.02 0.00 0.00 57.03 57.04 1sqx h ASP 66 Cb 0.56 -0.07 -0.09 0.00 0.22 0.00 0.00 39.33 39.95 1sqx h ASP 66 CO 0.02 0.61 0.04 -0.74 -1.72 0.00 0.00 179.24 177.45 1sqx h HIS 67 N 0.22 0.03 -0.16 4.55 2.76 -1.64 -1.06 115.15 119.85 1sqx h HIS 67 Ca 0.03 0.04 -0.22 0.00 -2.20 0.00 0.00 60.37 58.01 1sqx h HIS 67 Cb 0.74 0.07 0.01 0.00 1.55 0.00 0.00 27.41 29.78 1sqx h HIS 67 CO 0.01 -0.10 -0.76 0.00 -1.30 0.00 0.00 177.93 175.79 1sqx h VAL 69 N 0.55 0.63 -0.38 0.00 2.07 -0.64 -3.08 116.25 115.40 1sqx h VAL 69 Ca -0.05 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.34 1sqx h VAL 69 Cb 1.39 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1sqx h VAL 69 CO 0.16 0.04 -0.06 0.00 0.02 0.00 0.00 177.57 177.72 1sqx h ALA 70 N 1.46 1.19 0.00 1.67 0.00 -1.12 -0.26 119.26 122.19 1sqx h ALA 70 Ca 0.28 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1sqx h ALA 70 Cb 0.42 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1sqx h ALA 70 CO -0.41 0.52 0.00 1.58 0.00 0.00 0.00 179.25 180.95 1sqx n HIS 71 N -4.21 0.82 0.00 0.00 -0.00 -1.16 -4.21 115.22 106.45 1sqx n HIS 71 Ca 0.01 0.37 0.00 0.00 -0.00 0.00 0.00 57.72 58.10 1sqx n HIS 71 Cb 0.31 -1.09 0.00 0.00 -0.00 0.00 0.00 29.99 29.20 1sqx n HIS 71 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1sqx n LYS 72 N -2.29 0.00 -0.35 1.57 4.76 -0.90 -4.91 118.16 116.04 1sqx n LYS 72 Ca 0.00 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.47 1sqx n LYS 72 Cb 0.14 -0.69 0.17 0.00 -1.84 0.00 0.00 35.03 32.81 1sqx n LYS 72 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1sqx h LEU 73 N 0.00 0.96 -0.23 -0.35 5.85 -1.23 -2.73 115.31 117.58 1sqx h LEU 73 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1sqx h LEU 73 Cb 0.61 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1sqx h LEU 73 CO 0.00 0.60 0.00 0.49 -0.34 0.00 0.00 178.44 179.19 1sqx n PHE 74 N -4.55 0.80 0.29 1.25 3.01 -1.26 -2.72 117.46 114.28 1sqx n PHE 74 Ca 0.15 0.26 0.18 0.00 1.01 0.00 0.00 57.45 59.05 1sqx n PHE 74 Cb 0.20 -0.92 0.87 0.00 -0.01 0.00 0.00 39.48 39.62 1sqx n PHE 74 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 1sqx h ASN 75 N 0.00 0.00 0.06 4.37 4.21 -1.85 -3.19 115.58 119.18 1sqx h ASN 75 Ca 0.00 0.00 -0.38 0.00 1.21 0.00 0.00 56.30 57.13 1sqx h ASN 75 Cb 0.59 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.74 1sqx h ASN 75 CO 0.00 0.04 -2.23 -1.20 -1.29 0.00 0.00 177.43 172.75 1sqx n SER 76 N -3.24 2.05 -4.77 5.81 7.64 -1.10 -5.00 113.62 115.00 1sqx n SER 76 Ca -0.01 0.05 -0.37 0.00 1.01 0.00 0.00 58.87 59.54 1sqx n SER 76 Cb 0.21 -0.65 -0.03 0.00 -1.01 0.00 0.00 64.21 62.74 1sqx n SER 76 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1sqx s LEU 77 N -6.81 4.16 0.00 -3.43 1.43 -1.21 -5.14 118.68 107.68 1sqx s LEU 77 Ca -0.29 2.20 0.31 0.00 -1.03 0.00 0.00 54.13 55.32 1sqx s LEU 77 Cb 0.08 -4.11 1.72 0.00 0.03 0.00 0.00 46.19 43.91 1sqx s LEU 77 CO 0.68 -0.61 2.12 0.29 0.23 0.00 0.00 176.35 179.07