#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qz8 s ASP 6 N 0.00 3.13 0.30 -1.43 3.84 -1.26 -4.75 116.67 116.50 2qz8 s ASP 6 Ca 0.00 0.99 0.01 0.00 -0.00 0.00 0.00 52.55 53.56 2qz8 s ASP 6 Cb 0.00 -1.57 0.56 0.00 -1.38 0.00 0.00 42.92 40.52 2qz8 s ASP 6 CO 0.00 -2.79 1.88 0.44 -0.00 0.00 0.00 175.17 174.70 2qz8 h ASP 7 N -1.66 0.90 0.19 2.11 3.45 -2.05 -1.67 116.42 117.69 2qz8 h ASP 7 Ca -0.52 0.02 -0.01 0.00 0.43 0.00 0.00 57.03 56.96 2qz8 h ASP 7 Cb 1.33 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 39.94 2qz8 h ASP 7 CO 0.60 0.54 -0.09 0.40 -1.57 0.00 0.00 179.24 179.11 2qz8 h ILE 8 N 1.00 0.91 -0.87 0.35 2.04 -1.94 -2.28 117.51 116.72 2qz8 h ILE 8 Ca 0.43 -0.65 0.16 0.00 1.00 0.00 0.00 64.86 65.80 2qz8 h ILE 8 Cb 0.34 1.29 -0.10 0.00 -0.74 0.00 0.00 36.82 37.61 2qz8 h ILE 8 CO -0.19 0.15 0.45 0.44 0.00 0.00 0.00 178.15 178.99 2qz8 h ASP 9 N -0.58 0.52 -0.29 1.72 3.32 -1.85 -0.45 116.42 118.81 2qz8 h ASP 9 Ca -0.03 0.10 0.02 0.00 0.02 0.00 0.00 57.03 57.15 2qz8 h ASP 9 Cb 0.43 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 2qz8 h ASP 9 CO 0.04 0.19 0.12 0.03 -1.72 0.00 0.00 179.24 177.91 2qz8 h ARG 10 N 0.60 0.26 -0.36 3.56 3.08 -1.20 0.58 114.38 120.90 2qz8 h ARG 10 Ca 0.49 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.56 2qz8 h ARG 10 Cb 0.73 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.69 2qz8 h ARG 10 CO -0.39 0.17 0.14 0.82 -1.07 0.00 0.00 179.97 179.64 2qz8 h ILE 11 N 0.27 0.91 -0.38 2.04 2.04 -0.61 0.23 117.51 122.00 2qz8 h ILE 11 Ca 0.12 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 2qz8 h ILE 11 Cb 0.06 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 2qz8 h ILE 11 CO -0.10 0.05 0.19 -0.07 0.00 0.00 0.00 178.15 178.22 2qz8 h LEU 12 N 0.30 0.49 -0.63 1.44 3.38 -0.55 -1.37 115.31 118.37 2qz8 h LEU 12 Ca 0.16 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2qz8 h LEU 12 Cb 0.13 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2qz8 h LEU 12 CO -0.16 0.46 0.22 0.58 0.09 0.00 0.00 178.44 179.64 2qz8 h VAL 13 N 0.48 1.24 0.14 1.22 2.07 0.49 -1.17 116.25 120.73 2qz8 h VAL 13 Ca 0.13 -0.81 0.02 0.00 0.82 0.00 0.00 66.70 66.86 2qz8 h VAL 13 Cb 0.09 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 2qz8 h VAL 13 CO -0.02 0.31 -0.32 -0.09 0.02 0.00 0.00 177.57 177.47 2qz8 h ARG 14 N 0.90 -0.54 -0.42 1.57 9.65 -0.28 -0.38 114.38 124.87 2qz8 h ARG 14 Ca 0.21 0.04 0.02 0.00 -1.10 0.00 0.00 59.98 59.14 2qz8 h ARG 14 Cb 0.26 0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.94 2qz8 h ARG 14 CO -0.01 -0.36 0.25 0.93 2.80 0.00 0.00 179.97 183.58 2qz8 h GLU 15 N -0.56 0.50 -0.50 0.20 4.39 -1.02 -0.33 114.58 117.24 2qz8 h GLU 15 Ca 0.02 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 2qz8 h GLU 15 Cb 0.58 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 2qz8 h GLU 15 CO -0.18 0.33 -0.05 -0.07 -1.16 0.00 0.00 179.01 177.88 2qz8 h LEU 16 N 0.51 0.86 -1.21 1.33 3.38 -1.00 -0.72 115.31 118.46 2qz8 h LEU 16 Ca 0.17 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 2qz8 h LEU 16 Cb 0.00 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2qz8 h LEU 16 CO -0.07 0.95 -0.37 0.00 0.09 0.00 0.00 178.44 179.03 2qz8 h ALA 17 N 1.14 1.23 -0.03 1.53 0.00 -0.62 -2.46 119.26 120.06 2qz8 h ALA 17 Ca 0.14 -0.34 -0.19 0.00 0.00 0.00 0.00 54.91 54.52 2qz8 h ALA 17 Cb 0.55 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2qz8 h ALA 17 CO 0.03 0.46 -0.81 0.00 0.00 0.00 0.00 179.25 178.94 2qz8 h ALA 18 N 1.63 0.56 -0.91 0.00 0.00 -0.35 -3.44 119.26 116.74 2qz8 h ALA 18 Ca -0.00 -0.66 0.15 0.00 0.00 0.00 0.00 54.91 54.39 2qz8 h ALA 18 Cb 0.73 -0.06 -0.21 0.00 0.00 0.00 0.00 17.79 18.24 2qz8 h ALA 18 CO 0.05 0.83 -0.05 0.34 0.00 0.00 0.00 179.25 180.42 2qz8 s ASP 19 N -6.96 -0.94 0.05 0.00 3.68 -0.34 -5.04 116.67 107.12 2qz8 s ASP 19 Ca -0.04 0.76 0.16 0.00 2.13 0.00 0.00 52.55 55.57 2qz8 s ASP 19 Cb 0.10 1.86 0.70 0.00 -1.45 0.00 0.00 42.92 44.13 2qz8 s ASP 19 CO 0.83 -0.18 1.52 0.61 0.13 0.00 0.00 175.17 178.09 2qz8 n GLY 20 N 5.37 -1.06 0.05 2.66 0.00 -0.95 -2.12 105.19 109.14 2qz8 n GLY 20 Ca -0.05 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.07 2qz8 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qz8 n ARG 21 N -1.65 0.19 -1.63 1.61 1.74 -1.26 -4.93 116.66 110.74 2qz8 n ARG 21 Ca 0.03 -0.10 -0.48 0.00 -0.77 0.00 0.00 57.85 56.53 2qz8 n ARG 21 Cb 0.18 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.08 2qz8 n ARG 21 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 2qz8 n VAL 22 N -1.31 0.42 -1.88 1.55 3.14 -0.90 -4.91 118.33 114.44 2qz8 n VAL 22 Ca 0.07 -0.10 -0.31 0.00 -2.96 0.00 0.00 64.34 61.04 2qz8 n VAL 22 Cb 0.33 -1.20 0.03 0.00 -1.06 0.00 0.00 33.84 31.94 2qz8 n VAL 22 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 2qz8 s THR 23 N 0.34 4.18 0.29 1.55 -4.23 -1.26 -4.85 115.64 111.65 2qz8 s THR 23 Ca 0.76 0.71 0.01 0.00 -1.18 0.00 0.00 61.69 61.99 2qz8 s THR 23 Cb -0.78 -3.70 0.28 0.00 1.34 0.00 0.00 72.50 69.65 2qz8 s THR 23 CO 0.46 -0.92 1.88 -0.07 -0.54 0.00 0.00 174.62 175.42 2qz8 h LEU 24 N -0.46 0.93 -0.10 4.79 3.38 -1.96 0.21 115.31 122.09 2qz8 h LEU 24 Ca -0.44 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 2qz8 h LEU 24 Cb 1.22 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 2qz8 h LEU 24 CO 0.63 0.55 -0.05 0.28 0.09 0.00 0.00 178.44 179.94 2qz8 h SER 25 N 1.03 0.22 -0.43 -0.43 0.02 -1.93 0.27 113.55 112.30 2qz8 h SER 25 Ca 0.44 -0.42 0.08 0.00 -0.84 0.00 0.00 61.79 61.05 2qz8 h SER 25 Cb 0.33 -0.06 -0.07 0.00 0.14 0.00 0.00 62.40 62.74 2qz8 h SER 25 CO -0.20 0.59 0.03 -0.33 -1.14 0.00 0.00 176.83 175.79 2qz8 h GLU 26 N -0.14 0.14 -0.27 3.45 5.08 -1.85 -0.62 114.58 120.36 2qz8 h GLU 26 Ca 0.02 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2qz8 h GLU 26 Cb 0.51 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2qz8 h GLU 26 CO 0.02 0.10 0.16 -0.07 -1.00 0.00 0.00 179.01 178.21 2qz8 h LEU 27 N 0.15 0.34 -0.38 1.33 3.38 -0.40 -1.44 115.31 118.28 2qz8 h LEU 27 Ca 0.21 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.18 2qz8 h LEU 27 Cb 0.29 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 2qz8 h LEU 27 CO -0.32 0.31 0.00 0.00 0.09 0.00 0.00 178.44 178.52 2qz8 h ALA 28 N 1.04 0.35 -0.53 1.53 0.00 -0.15 0.23 119.26 121.73 2qz8 h ALA 28 Ca 0.10 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.13 2qz8 h ALA 28 Cb 0.04 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2qz8 h ALA 28 CO -0.02 -0.39 0.33 1.15 0.00 0.00 0.00 179.25 180.32 2qz8 h THR 29 N 0.11 1.08 0.00 0.00 2.02 -0.93 0.18 112.91 115.37 2qz8 h THR 29 Ca 0.19 -0.22 -0.11 0.00 0.77 0.00 0.00 66.41 67.03 2qz8 h THR 29 Cb 0.26 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 2qz8 h THR 29 CO -0.31 0.12 -0.53 0.03 0.37 0.00 0.00 175.52 175.21 2qz8 h ARG 30 N 0.66 0.00 -0.01 6.66 -0.00 -0.64 -3.04 114.38 118.01 2qz8 h ARG 30 Ca 0.21 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.69 2qz8 h ARG 30 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.96 2qz8 h ARG 30 CO -0.08 0.53 -0.53 0.00 0.00 0.00 0.00 179.97 179.89 2qz8 n ALA 31 N -2.33 3.70 -1.91 0.04 0.00 0.75 -4.96 120.51 115.79 2qz8 n ALA 31 Ca -0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 53.44 52.78 2qz8 n ALA 31 Cb 0.61 -0.82 -0.00 0.00 0.00 0.00 0.00 19.45 19.23 2qz8 n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qz8 n GLY 32 N 1.43 0.29 3.72 0.00 0.00 -0.26 -5.00 105.19 105.37 2qz8 n GLY 32 Ca 0.09 -0.76 -0.23 0.00 0.00 0.00 0.00 46.02 45.12 2qz8 n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qz8 s LEU 33 N -1.07 3.21 0.75 0.99 1.43 0.47 -5.02 118.68 119.44 2qz8 s LEU 33 Ca 0.00 -0.84 -0.12 0.00 -1.03 0.00 0.00 54.13 52.14 2qz8 s LEU 33 Cb 0.00 -1.65 0.04 0.00 0.03 0.00 0.00 46.19 44.61 2qz8 s LEU 33 CO 0.00 -0.33 1.11 -0.94 0.23 0.00 0.00 176.35 176.41 2qz8 s SER 34 N -3.84 5.03 0.24 2.29 1.04 -1.26 -4.31 113.70 112.88 2qz8 s SER 34 Ca 0.38 1.14 -0.05 0.00 0.48 0.00 0.00 55.95 57.90 2qz8 s SER 34 Cb -0.01 -1.88 0.26 0.00 0.10 0.00 0.00 66.02 64.48 2qz8 s SER 34 CO 0.22 -1.61 1.79 -0.37 0.98 0.00 0.00 173.24 174.25 2qz8 h VAL 35 N -0.84 1.25 -0.17 5.02 -1.51 -1.93 -2.44 116.25 115.62 2qz8 h VAL 35 Ca -0.46 -0.85 -0.11 0.00 -1.23 0.00 0.00 66.70 64.05 2qz8 h VAL 35 Cb 1.27 0.50 -0.01 0.00 -2.13 0.00 0.00 31.29 30.91 2qz8 h VAL 35 CO 0.63 0.33 -0.37 -1.28 -1.23 0.00 0.00 177.57 175.64 2qz8 h SER 36 N 1.00 0.39 0.21 4.19 0.87 -1.95 -0.28 113.55 117.97 2qz8 h SER 36 Ca 0.22 -0.16 -0.14 0.00 -1.23 0.00 0.00 61.79 60.48 2qz8 h SER 36 Cb 0.28 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 2qz8 h SER 36 CO -0.01 0.74 -0.55 0.00 -0.53 0.00 0.00 176.83 176.48 2qz8 h ALA 37 N 1.29 0.83 -0.20 6.23 0.00 -1.89 -1.85 119.26 123.67 2qz8 h ALA 37 Ca 0.03 -0.51 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 2qz8 h ALA 37 Cb 0.81 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2qz8 h ALA 37 CO 0.06 0.69 -0.20 0.28 0.00 0.00 0.00 179.25 180.09 2qz8 h VAL 38 N 0.28 1.33 -0.27 0.00 2.07 -1.22 -1.36 116.25 117.08 2qz8 h VAL 38 Ca 0.00 -1.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.13 2qz8 h VAL 38 Cb 1.05 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 2qz8 h VAL 38 CO 0.09 0.41 0.02 0.06 0.02 0.00 0.00 177.57 178.18 2qz8 h GLN 39 N 0.16 0.40 -0.13 1.57 -0.00 -0.93 0.29 115.11 116.47 2qz8 h GLN 39 Ca 0.03 -0.07 -0.03 0.00 -0.00 0.00 0.00 58.65 58.59 2qz8 h GLN 39 Cb 0.74 -0.07 -0.00 0.00 -0.00 0.00 0.00 27.48 28.15 2qz8 h GLN 39 CO 0.05 0.41 -0.03 1.03 -0.00 0.00 0.00 178.83 180.30 2qz8 h SER 40 N 0.39 0.25 -0.75 0.06 0.87 -1.26 -2.06 113.55 111.06 2qz8 h SER 40 Ca 0.09 -0.36 -0.03 0.00 -1.23 0.00 0.00 61.79 60.27 2qz8 h SER 40 Cb 0.23 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 2qz8 h SER 40 CO 0.00 0.55 0.36 0.03 -0.53 0.00 0.00 176.83 177.25 2qz8 h ARG 41 N -0.06 1.07 -0.45 2.24 3.08 -0.36 -2.21 114.38 117.71 2qz8 h ARG 41 Ca 0.03 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 2qz8 h ARG 41 Cb 0.44 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 2qz8 h ARG 41 CO 0.01 0.83 0.17 0.28 -1.07 0.00 0.00 179.97 180.19 2qz8 h VAL 42 N 1.05 1.21 -0.67 2.04 2.07 -0.47 -0.53 116.25 120.94 2qz8 h VAL 42 Ca 0.26 -0.67 0.04 0.00 0.82 0.00 0.00 66.70 67.15 2qz8 h VAL 42 Cb 0.11 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 2qz8 h VAL 42 CO -0.03 0.24 0.44 -0.09 0.02 0.00 0.00 177.57 178.15 2qz8 h ARG 43 N 0.58 0.75 -0.01 1.57 9.65 -1.21 -0.81 114.38 124.91 2qz8 h ARG 43 Ca 0.15 -0.05 -0.21 0.00 -1.10 0.00 0.00 59.98 58.78 2qz8 h ARG 43 Cb 0.22 -0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 28.62 2qz8 h ARG 43 CO -0.01 0.50 -0.88 -0.09 2.80 0.00 0.00 179.97 182.29 2qz8 h ARG 44 N 0.77 0.31 -0.47 0.20 2.43 -1.04 -1.27 114.38 115.33 2qz8 h ARG 44 Ca 0.27 -0.32 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 2qz8 h ARG 44 Cb 0.11 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 2qz8 h ARG 44 CO -0.08 1.01 0.10 -0.07 -1.51 0.00 0.00 179.97 179.42 2qz8 h LEU 45 N 0.18 0.66 -0.08 3.80 3.38 -0.21 -1.00 115.31 122.03 2qz8 h LEU 45 Ca -0.06 -0.11 -0.15 0.00 0.09 0.00 0.00 57.88 57.65 2qz8 h LEU 45 Cb 1.50 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 42.09 2qz8 h LEU 45 CO 0.14 0.66 -0.53 -0.33 0.09 0.00 0.00 178.44 178.48 2qz8 h GLU 46 N 0.69 0.51 0.00 1.13 5.08 -0.96 0.25 114.58 121.26 2qz8 h GLU 46 Ca 0.15 -0.43 -0.09 0.00 -1.00 0.00 0.00 59.36 57.98 2qz8 h GLU 46 Cb 0.28 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2qz8 h GLU 46 CO -0.00 1.07 -0.44 0.66 -1.00 0.00 0.00 179.01 179.29 2qz8 h SER 47 N 0.09 0.00 0.21 1.42 4.64 -1.14 -2.06 113.55 116.71 2qz8 h SER 47 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2qz8 h SER 47 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2qz8 h SER 47 CO 0.11 0.44 0.00 0.54 -0.87 0.00 0.00 176.83 177.05 2qz8 n ARG 48 N -3.44 0.73 -1.08 4.77 1.74 -0.39 -4.90 116.66 114.08 2qz8 n ARG 48 Ca 0.00 0.01 -0.03 0.00 -0.77 0.00 0.00 57.85 57.06 2qz8 n ARG 48 Cb 0.59 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.52 2qz8 n ARG 48 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qz8 n GLY 49 N 0.99 0.60 0.06 -0.13 0.00 -0.77 -4.94 105.19 101.00 2qz8 n GLY 49 Ca 0.19 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 2qz8 n GLY 49 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2qz8 h VAL 50 N 0.00 1.40 -3.45 1.61 2.07 -0.75 -3.40 116.25 113.75 2qz8 h VAL 50 Ca -0.06 -1.20 -0.60 0.00 0.82 0.00 0.00 66.70 65.66 2qz8 h VAL 50 Cb 0.30 2.21 -0.11 0.00 -1.52 0.00 0.00 31.29 32.17 2qz8 h VAL 50 CO 0.09 0.31 0.15 -0.69 0.02 0.00 0.00 177.57 177.46 2qz8 s VAL 51 N -4.17 4.99 -0.13 2.57 1.01 -0.86 -4.96 120.40 118.85 2qz8 s VAL 51 Ca -0.16 1.17 0.19 0.00 0.00 0.00 0.00 61.98 63.17 2qz8 s VAL 51 Cb 0.02 -3.94 -0.20 0.00 0.00 0.00 0.00 36.38 32.25 2qz8 s VAL 51 CO 0.68 0.06 0.57 0.00 0.00 0.00 0.00 175.10 176.41 2qz8 n GLN 52 N 5.45 0.65 0.00 2.72 6.02 -1.26 -4.47 117.38 126.48 2qz8 n GLN 52 Ca -0.01 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 2qz8 n GLN 52 Cb 0.49 -1.67 0.00 0.00 1.02 0.00 0.00 30.24 30.08 2qz8 n GLN 52 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qz8 n GLY 53 N 1.43 -0.62 0.23 1.08 0.00 -1.26 -5.05 105.19 101.00 2qz8 n GLY 53 Ca -0.13 -1.05 0.02 0.00 0.00 0.00 0.00 46.02 44.86 2qz8 n GLY 53 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2qz8 n TYR 54 N -0.26 0.00 -1.68 1.61 4.01 -1.26 -5.08 117.16 114.50 2qz8 n TYR 54 Ca 0.00 -0.29 -0.44 0.00 -0.16 0.00 0.00 57.90 57.00 2qz8 n TYR 54 Cb 0.00 -0.06 -0.03 0.00 -0.31 0.00 0.00 39.34 38.94 2qz8 n TYR 54 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2qz8 n SER 55 N -0.39 2.96 -4.77 7.72 3.41 -1.26 -4.94 113.62 116.36 2qz8 n SER 55 Ca 0.04 1.14 -0.39 0.00 -0.26 0.00 0.00 58.87 59.40 2qz8 n SER 55 Cb 0.59 -1.45 -0.00 0.00 -0.26 0.00 0.00 64.21 63.08 2qz8 n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qz8 s ALA 56 N 0.06 3.15 -0.23 7.33 0.00 -1.26 -4.97 121.76 125.84 2qz8 s ALA 56 Ca 0.69 1.14 -0.29 0.00 0.00 0.00 0.00 51.96 53.49 2qz8 s ALA 56 Cb -0.63 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.03 2qz8 s ALA 56 CO 0.48 -0.79 1.28 1.03 0.00 0.00 0.00 175.76 177.76 2qz8 s ARG 57 N -2.39 4.09 -0.13 0.00 1.81 -1.26 -5.03 118.95 116.04 2qz8 s ARG 57 Ca 0.59 1.46 -0.04 0.00 -1.72 0.00 0.00 55.73 56.02 2qz8 s ARG 57 Cb -0.35 -3.82 -0.03 0.00 -0.45 0.00 0.00 34.95 30.30 2qz8 s ARG 57 CO 0.44 -0.90 0.02 0.42 -0.68 0.00 0.00 175.30 174.61 2qz8 s ILE 58 N 3.90 4.48 -0.17 1.52 -1.09 -1.26 -5.07 121.20 123.52 2qz8 s ILE 58 Ca 0.55 -0.16 -0.29 0.00 -2.23 0.00 0.00 60.65 58.51 2qz8 s ILE 58 Cb -0.19 -2.95 -0.07 0.00 -1.58 0.00 0.00 42.46 37.67 2qz8 s ILE 58 CO 0.18 0.54 2.15 -3.20 -1.23 0.00 0.00 174.94 173.38 2qz8 n ASN 59 N 2.84 3.37 -0.32 3.58 2.85 -1.26 -4.88 115.26 121.44 2qz8 n ASN 59 Ca -0.18 0.41 0.02 0.00 -0.11 0.00 0.00 54.58 54.73 2qz8 n ASN 59 Cb 0.53 -1.51 0.16 0.00 1.24 0.00 0.00 39.78 40.20 2qz8 n ASN 59 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2qz8 h PRO 60 N 13.56 0.94 -0.67 1.20 0.11 -1.97 -1.84 132.00 143.33 2qz8 h PRO 60 Ca -0.42 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 2qz8 h PRO 60 Cb 1.25 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 2qz8 h PRO 60 CO 0.96 0.62 0.33 0.93 -0.21 0.00 0.00 178.00 180.63 2qz8 h GLU 61 N 0.97 0.94 0.00 1.05 5.08 -1.90 -1.52 114.58 119.20 2qz8 h GLU 61 Ca 0.40 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 2qz8 h GLU 61 Cb 0.25 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 2qz8 h GLU 61 CO -0.20 0.72 -0.06 0.00 -1.00 0.00 0.00 179.01 178.47 2qz8 h ALA 62 N 1.42 1.56 -0.67 3.43 0.00 -1.66 -1.52 119.26 121.81 2qz8 h ALA 62 Ca 0.23 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2qz8 h ALA 62 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2qz8 h ALA 62 CO -0.03 0.08 0.00 1.33 0.00 0.00 0.00 179.25 180.63 2qz8 n VAL 63 N -3.97 1.33 0.00 0.00 0.24 -0.84 -4.93 118.33 110.15 2qz8 n VAL 63 Ca -0.03 -1.03 0.00 0.00 -2.04 0.00 0.00 64.34 61.24 2qz8 n VAL 63 Cb 0.15 0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 2qz8 n VAL 63 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qz8 n GLY 64 N 1.40 0.37 3.58 7.63 0.00 -0.57 -5.03 105.19 112.56 2qz8 n GLY 64 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 2qz8 n GLY 64 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qz8 s HIS 65 N -2.00 2.68 -0.92 1.61 3.76 -0.63 -4.28 115.29 115.51 2qz8 s HIS 65 Ca 0.00 -1.37 0.28 0.00 -0.15 0.00 0.00 55.06 53.82 2qz8 s HIS 65 Cb 0.00 -4.69 0.99 0.00 1.11 0.00 0.00 32.58 29.98 2qz8 s HIS 65 CO 0.00 -1.78 1.79 1.28 -0.85 0.00 0.00 174.74 175.17 2qz8 n LEU 66 N 8.92 0.29 -3.87 0.89 4.77 -0.92 -3.46 117.00 123.62 2qz8 n LEU 66 Ca 0.47 0.43 -0.22 0.00 -0.03 0.00 0.00 56.01 56.65 2qz8 n LEU 66 Cb 0.47 -0.41 -0.17 0.00 -2.33 0.00 0.00 43.42 40.98 2qz8 n LEU 66 CO 0.75 -0.02 -0.41 -0.22 -1.33 0.00 0.00 177.39 176.15 2qz8 s LEU 67 N -3.41 1.12 0.13 2.23 2.96 -0.63 -4.98 118.68 116.11 2qz8 s LEU 67 Ca 0.12 -0.15 0.09 0.00 -0.22 0.00 0.00 54.13 53.97 2qz8 s LEU 67 Cb 0.17 -0.52 -0.04 0.00 0.50 0.00 0.00 46.19 46.30 2qz8 s LEU 67 CO 0.58 -0.10 -0.21 -0.44 -1.32 0.00 0.00 176.35 174.86 2qz8 s SER 68 N 1.31 2.78 -0.09 3.68 0.01 -1.26 -0.24 113.70 119.88 2qz8 s SER 68 Ca -0.05 -0.76 -0.19 0.00 1.31 0.00 0.00 55.95 56.27 2qz8 s SER 68 Cb -0.14 -0.17 0.04 0.00 0.21 0.00 0.00 66.02 65.97 2qz8 s SER 68 CO -0.02 0.06 0.45 0.00 0.41 0.00 0.00 173.24 174.13 2qz8 s ALA 69 N -1.45 -1.14 -0.03 1.44 0.00 -0.34 -1.64 121.76 118.61 2qz8 s ALA 69 Ca 0.12 0.96 -0.29 0.00 0.00 0.00 0.00 51.96 52.74 2qz8 s ALA 69 Cb -0.09 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 2qz8 s ALA 69 CO 0.06 -0.26 0.94 -0.06 0.00 0.00 0.00 175.76 176.43 2qz8 s PHE 70 N -0.60 3.62 -0.22 0.00 0.08 0.05 -1.01 117.98 119.91 2qz8 s PHE 70 Ca -0.07 1.61 -0.01 0.00 0.12 0.00 0.00 56.93 58.59 2qz8 s PHE 70 Cb -0.03 -3.08 0.02 0.00 -0.57 0.00 0.00 43.02 39.36 2qz8 s PHE 70 CO 0.04 -0.03 -0.11 0.08 -0.10 0.00 0.00 175.22 175.10 2qz8 s VAL 71 N 1.13 2.58 -0.17 -0.44 1.01 0.19 -0.19 120.40 124.50 2qz8 s VAL 71 Ca 0.49 -0.99 -0.14 0.00 0.00 0.00 0.00 61.98 61.35 2qz8 s VAL 71 Cb -0.20 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 2qz8 s VAL 71 CO 0.25 0.33 0.29 0.00 0.00 0.00 0.00 175.10 175.96 2qz8 s ALA 72 N 1.31 3.59 0.12 5.51 0.00 0.72 -0.28 121.76 132.73 2qz8 s ALA 72 Ca 0.02 -0.50 0.09 0.00 0.00 0.00 0.00 51.96 51.56 2qz8 s ALA 72 Cb -0.15 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.53 2qz8 s ALA 72 CO -0.07 0.03 -0.22 0.96 0.00 0.00 0.00 175.76 176.46 2qz8 s ILE 73 N 0.60 1.83 -0.05 0.00 -4.36 -0.13 -0.00 121.20 119.10 2qz8 s ILE 73 Ca 0.16 -1.63 0.00 0.00 -0.26 0.00 0.00 60.65 58.92 2qz8 s ILE 73 Cb -0.13 -1.68 0.03 0.00 1.25 0.00 0.00 42.46 41.93 2qz8 s ILE 73 CO 0.04 -0.06 -0.02 -0.89 0.24 0.00 0.00 174.94 174.25 2qz8 s THR 74 N -1.25 0.38 0.19 8.37 2.01 -0.78 -1.70 115.64 122.87 2qz8 s THR 74 Ca 0.09 0.02 -0.33 0.00 0.31 0.00 0.00 61.69 61.79 2qz8 s THR 74 Cb -0.10 -0.47 -0.15 0.00 0.01 0.00 0.00 72.50 71.80 2qz8 s THR 74 CO 0.05 0.22 1.29 -2.65 -0.69 0.00 0.00 174.62 172.84 2qz8 n PRO 75 N 4.46 1.54 0.24 4.92 -0.02 -1.26 -0.95 135.00 143.94 2qz8 n PRO 75 Ca -0.19 0.55 0.10 0.00 -2.02 0.00 0.00 63.50 61.94 2qz8 n PRO 75 Cb 0.50 -2.13 0.63 0.00 -0.02 0.00 0.00 33.50 32.48 2qz8 n PRO 75 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2qz8 h LEU 76 N 3.93 0.00 -7.21 2.45 3.38 -1.51 -3.32 115.31 113.03 2qz8 h LEU 76 Ca -0.44 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 56.90 2qz8 h LEU 76 Cb 1.31 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.65 2qz8 h LEU 76 CO 0.74 0.17 -0.66 -0.62 0.09 0.00 0.00 178.44 178.15 2qz8 s ASP 77 N -6.41 4.10 0.52 -0.43 3.68 -1.26 -4.98 116.67 111.88 2qz8 s ASP 77 Ca -0.03 -2.98 0.35 0.00 2.13 0.00 0.00 52.55 52.02 2qz8 s ASP 77 Cb 0.14 -1.42 1.72 0.00 -1.45 0.00 0.00 42.92 41.90 2qz8 s ASP 77 CO 0.62 -0.23 2.06 -0.65 0.13 0.00 0.00 175.17 177.10 2qz8 h PRO 78 N 6.44 0.00 0.00 4.34 0.11 -1.97 -2.99 132.00 137.93 2qz8 h PRO 78 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 2qz8 h PRO 78 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 2qz8 h PRO 78 CO 0.62 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.07 2qz8 h SER 79 N 0.00 0.00 -3.29 -2.05 4.64 -1.94 -3.44 113.55 107.47 2qz8 h SER 79 Ca 0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.68 2qz8 h SER 79 Cb 0.21 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.17 2qz8 h SER 79 CO 0.00 0.00 -0.68 -1.10 -0.87 0.00 0.00 176.83 174.18 2qz8 s GLN 80 N -3.41 2.43 -0.29 4.77 -1.52 -1.13 -5.06 119.66 115.45 2qz8 s GLN 80 Ca 0.04 -0.94 -0.34 0.00 -1.95 0.00 0.00 55.36 52.18 2qz8 s GLN 80 Cb 0.09 -2.45 -0.10 0.00 -0.22 0.00 0.00 33.01 30.32 2qz8 s GLN 80 CO 0.52 0.51 2.13 -2.30 -0.25 0.00 0.00 175.29 175.91 2qz8 n PRO 81 N 0.44 1.40 0.08 2.91 -0.02 -1.26 -4.88 135.00 133.66 2qz8 n PRO 81 Ca -0.11 0.41 -0.09 0.00 -2.02 0.00 0.00 63.50 61.69 2qz8 n PRO 81 Cb 0.53 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 2qz8 n PRO 81 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2qz8 h ASP 82 N 12.23 0.34 -4.75 2.55 2.03 -1.91 -3.47 116.42 123.43 2qz8 h ASP 82 Ca -0.34 -0.26 -0.36 0.00 -0.73 0.00 0.00 57.03 55.35 2qz8 h ASP 82 Cb 1.30 -0.10 -0.03 0.00 -0.83 0.00 0.00 39.33 39.67 2qz8 h ASP 82 CO 1.00 1.04 -0.52 -0.67 -1.03 0.00 0.00 179.24 179.06 2qz8 n ASP 83 N -3.72 -4.46 -0.25 4.15 2.03 -1.26 -4.89 116.55 108.14 2qz8 n ASP 83 Ca -0.04 -0.22 -0.04 0.00 0.52 0.00 0.00 54.79 55.00 2qz8 n ASP 83 Cb 0.78 -3.68 0.06 0.00 -0.72 0.00 0.00 41.12 37.56 2qz8 n ASP 83 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2qz8 h ALA 84 N 0.99 0.91 -0.56 -1.67 0.00 -1.92 -1.72 119.26 115.29 2qz8 h ALA 84 Ca -0.43 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 2qz8 h ALA 84 Cb 1.30 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2qz8 h ALA 84 CO 0.50 0.29 0.05 -1.35 0.00 0.00 0.00 179.25 178.74 2qz8 h PRO 85 N 0.93 0.92 -0.55 0.00 0.11 -1.98 -1.32 132.00 130.11 2qz8 h PRO 85 Ca 0.27 -0.24 -0.11 0.00 0.11 0.00 0.00 66.00 66.03 2qz8 h PRO 85 Cb -0.07 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 30.92 2qz8 h PRO 85 CO -0.07 0.88 -0.08 0.00 -0.21 0.00 0.00 178.00 178.52 2qz8 h ALA 86 N 1.19 0.76 0.00 -0.75 0.00 -1.92 -2.05 119.26 116.49 2qz8 h ALA 86 Ca 0.17 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2qz8 h ALA 86 Cb 0.44 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2qz8 h ALA 86 CO 0.02 0.65 -0.06 0.00 0.00 0.00 0.00 179.25 179.85 2qz8 h ARG 87 N 0.91 0.00 -0.01 0.00 3.08 -0.80 -3.04 114.38 114.53 2qz8 h ARG 87 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2qz8 h ARG 87 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 2qz8 h ARG 87 CO 0.04 0.06 -0.34 1.28 -1.07 0.00 0.00 179.97 179.94 2qz8 n LEU 88 N -3.34 1.54 0.00 3.04 4.77 -0.54 -4.65 117.00 117.82 2qz8 n LEU 88 Ca -0.01 -0.75 0.10 0.00 -0.03 0.00 0.00 56.01 55.31 2qz8 n LEU 88 Cb 0.22 0.00 0.46 0.00 -2.33 0.00 0.00 43.42 41.77 2qz8 n LEU 88 CO 0.27 0.30 0.81 -1.84 -1.33 0.00 0.00 177.39 175.60 2qz8 n GLU 89 N -0.20 0.12 0.00 3.23 0.28 -0.79 -0.86 120.64 122.42 2qz8 n GLU 89 Ca 0.06 0.13 0.14 0.00 -0.16 0.00 0.00 57.16 57.34 2qz8 n GLU 89 Cb 0.32 -1.50 0.66 0.00 1.43 0.00 0.00 31.44 32.35 2qz8 n GLU 89 CO 0.00 0.00 0.00 -2.39 -0.16 0.00 0.00 177.13 174.58 2qz8 n HIS 90 N -1.41 0.00 -2.73 -1.84 1.44 -1.26 -4.73 115.22 104.69 2qz8 n HIS 90 Ca 0.07 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.35 2qz8 n HIS 90 Cb 0.20 -0.37 -0.03 0.00 0.12 0.00 0.00 29.99 29.91 2qz8 n HIS 90 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2qz8 s ILE 91 N -2.78 4.39 0.30 0.61 1.01 -0.04 -4.89 121.20 119.79 2qz8 s ILE 91 Ca 0.21 1.04 0.28 0.00 0.00 0.00 0.00 60.65 62.18 2qz8 s ILE 91 Cb 0.20 -4.48 0.29 0.00 0.01 0.00 0.00 42.46 38.48 2qz8 s ILE 91 CO 0.51 -0.84 2.00 -0.33 0.00 0.00 0.00 174.94 176.27 2qz8 h GLU 92 N 8.99 0.00 0.00 2.79 5.08 -1.87 -2.18 114.58 127.39 2qz8 h GLU 92 Ca -0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2qz8 h GLU 92 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2qz8 h GLU 92 CO 1.06 0.14 0.00 0.39 -1.00 0.00 0.00 179.01 179.59 2qz8 n GLU 93 N -3.46 0.16 -2.83 2.33 4.71 -1.26 -4.49 120.64 115.80 2qz8 n GLU 93 Ca -0.01 0.25 -0.43 0.00 -0.01 0.00 0.00 57.16 56.96 2qz8 n GLU 93 Cb 0.30 -1.73 -0.04 0.00 -1.01 0.00 0.00 31.44 28.96 2qz8 n GLU 93 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2qz8 s VAL 94 N -3.14 4.41 0.12 2.62 1.01 -0.82 -1.81 120.40 122.78 2qz8 s VAL 94 Ca 0.09 0.46 0.04 0.00 0.00 0.00 0.00 61.98 62.56 2qz8 s VAL 94 Cb 0.12 -4.50 -0.22 0.00 0.00 0.00 0.00 36.38 31.78 2qz8 s VAL 94 CO 0.47 -1.02 1.26 -0.08 0.00 0.00 0.00 175.10 175.73 2qz8 h GLU 95 N 9.23 0.08 -3.06 2.72 4.81 -1.18 -3.48 114.58 123.71 2qz8 h GLU 95 Ca -0.25 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 58.80 2qz8 h GLU 95 Cb 1.07 0.05 -0.14 0.00 0.63 0.00 0.00 28.75 30.36 2qz8 h GLU 95 CO 1.07 1.04 0.05 -1.54 -0.73 0.00 0.00 179.01 178.90 2qz8 s SER 96 N -6.84 -0.40 -0.15 1.04 1.04 -1.20 -4.97 113.70 102.22 2qz8 s SER 96 Ca -0.01 -0.05 -0.07 0.00 0.48 0.00 0.00 55.95 56.31 2qz8 s SER 96 Cb 0.09 0.51 0.06 0.00 0.10 0.00 0.00 66.02 66.79 2qz8 s SER 96 CO 0.84 -0.84 0.34 0.00 0.98 0.00 0.00 173.24 174.56 2qz8 s TYR 98 N 1.76 1.15 0.23 0.00 1.51 -0.37 -5.00 117.35 116.64 2qz8 s TYR 98 Ca -0.06 -0.24 -0.22 0.00 -1.01 0.00 0.00 57.07 55.54 2qz8 s TYR 98 Cb -0.10 -0.73 -0.08 0.00 -0.11 0.00 0.00 41.96 40.94 2qz8 s TYR 98 CO -0.11 -0.01 0.77 -1.54 -1.11 0.00 0.00 175.55 173.55 2qz8 s SER 99 N -0.48 7.15 0.11 2.29 1.04 -1.26 -0.90 113.70 121.65 2qz8 s SER 99 Ca 0.04 1.52 0.02 0.00 0.48 0.00 0.00 55.95 58.01 2qz8 s SER 99 Cb -0.06 -2.46 -0.04 0.00 0.10 0.00 0.00 66.02 63.56 2qz8 s SER 99 CO -0.00 0.04 -0.07 0.68 0.98 0.00 0.00 173.24 174.87 2qz8 s VAL 100 N -1.49 0.76 0.48 5.02 -7.23 -0.53 -4.89 120.40 112.51 2qz8 s VAL 100 Ca 0.43 -1.96 -0.05 0.00 -1.81 0.00 0.00 61.98 58.60 2qz8 s VAL 100 Cb -0.18 -1.74 -0.03 0.00 0.56 0.00 0.00 36.38 34.99 2qz8 s VAL 100 CO 0.22 -0.83 0.77 0.00 -0.31 0.00 0.00 175.10 174.96 2qz8 s ALA 101 N -3.59 3.42 0.00 1.32 0.00 -1.26 -4.69 121.76 116.97 2qz8 s ALA 101 Ca 0.13 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.54 2qz8 s ALA 101 Cb 0.05 -2.55 0.00 0.00 0.00 0.00 0.00 23.12 20.62 2qz8 s ALA 101 CO -0.03 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.78 2qz8 n GLY 102 N -2.24 -0.12 0.22 0.00 0.00 -1.26 -4.77 105.19 97.02 2qz8 n GLY 102 Ca 0.00 -2.15 -0.18 0.00 0.00 0.00 0.00 46.02 43.70 2qz8 n GLY 102 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2qz8 h GLU 103 N 0.00 0.79 -6.48 1.61 4.81 -2.02 -3.45 114.58 109.84 2qz8 h GLU 103 Ca 0.00 -0.66 -0.47 0.00 -0.13 0.00 0.00 59.36 58.10 2qz8 h GLU 103 Cb 0.00 0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.53 2qz8 h GLU 103 CO 0.00 1.27 -0.22 -1.21 -0.73 0.00 0.00 179.01 178.11 2qz8 s GLU 104 N -3.71 3.43 -0.05 1.92 8.01 -1.26 -5.01 118.70 122.03 2qz8 s GLU 104 Ca -0.10 -0.44 -0.11 0.00 0.01 0.00 0.00 54.97 54.33 2qz8 s GLU 104 Cb 0.08 -2.69 -0.31 0.00 -4.31 0.00 0.00 34.13 26.90 2qz8 s GLU 104 CO 0.91 0.15 0.67 0.77 0.01 0.00 0.00 175.26 177.77 2qz8 h SER 105 N 0.79 0.62 -4.81 -0.19 0.02 -1.60 -3.43 113.55 104.94 2qz8 h SER 105 Ca -0.50 -0.93 -0.21 0.00 -0.84 0.00 0.00 61.79 59.32 2qz8 h SER 105 Cb 1.22 -0.20 -0.17 0.00 0.14 0.00 0.00 62.40 63.39 2qz8 h SER 105 CO 0.61 1.78 -0.70 -0.31 -1.14 0.00 0.00 176.83 177.07 2qz8 s TYR 106 N -2.58 0.69 -0.04 3.45 1.51 -0.90 -1.45 117.35 118.03 2qz8 s TYR 106 Ca -0.16 -0.80 0.06 0.00 -1.01 0.00 0.00 57.07 55.16 2qz8 s TYR 106 Cb 0.05 -0.43 -0.01 0.00 -0.11 0.00 0.00 41.96 41.46 2qz8 s TYR 106 CO 0.86 -0.18 -0.22 0.08 -1.11 0.00 0.00 175.55 174.97 2qz8 s VAL 107 N -2.88 1.79 0.02 0.71 1.01 -0.08 -0.95 120.40 120.01 2qz8 s VAL 107 Ca 0.02 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.10 2qz8 s VAL 107 Cb 0.00 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 2qz8 s VAL 107 CO -0.04 0.50 -0.12 -0.04 0.00 0.00 0.00 175.10 175.40 2qz8 s MET 108 N -0.29 0.88 -0.15 2.72 -1.94 0.62 -1.23 119.30 119.91 2qz8 s MET 108 Ca 0.02 -0.60 -0.15 0.00 -1.71 0.00 0.00 55.69 53.25 2qz8 s MET 108 Cb -0.11 -0.85 -0.05 0.00 2.01 0.00 0.00 34.83 35.83 2qz8 s MET 108 CO 0.01 0.22 0.33 -1.17 -0.01 0.00 0.00 175.02 174.40 2qz8 s LEU 109 N -0.79 4.26 0.03 -0.03 2.96 -1.04 0.53 118.68 124.58 2qz8 s LEU 109 Ca 0.02 0.58 0.05 0.00 -0.22 0.00 0.00 54.13 54.56 2qz8 s LEU 109 Cb -0.06 -2.44 -0.02 0.00 0.50 0.00 0.00 46.19 44.16 2qz8 s LEU 109 CO 0.00 0.09 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.29 2qz8 s VAL 110 N 0.45 1.12 -0.04 1.68 1.01 -0.18 -0.77 120.40 123.67 2qz8 s VAL 110 Ca 0.19 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.28 2qz8 s VAL 110 Cb -0.13 -0.99 0.02 0.00 0.00 0.00 0.00 36.38 35.27 2qz8 s VAL 110 CO 0.05 0.09 -0.05 -0.13 0.00 0.00 0.00 175.10 175.06 2qz8 s ARG 111 N -0.94 0.83 0.20 2.72 1.81 -0.75 -1.20 118.95 121.62 2qz8 s ARG 111 Ca 0.03 -0.11 -0.04 0.00 -1.72 0.00 0.00 55.73 53.89 2qz8 s ARG 111 Cb -0.07 -0.84 -0.03 0.00 -0.45 0.00 0.00 34.95 33.56 2qz8 s ARG 111 CO 0.01 -0.08 0.21 0.14 -0.68 0.00 0.00 175.30 174.90 2qz8 s VAL 112 N 0.90 0.02 0.17 3.52 -7.23 0.67 -4.72 120.40 113.74 2qz8 s VAL 112 Ca -0.11 -1.79 0.07 0.00 -1.81 0.00 0.00 61.98 58.34 2qz8 s VAL 112 Cb -0.14 -2.30 -0.15 0.00 0.56 0.00 0.00 36.38 34.35 2qz8 s VAL 112 CO 0.00 -0.10 1.39 0.00 -0.31 0.00 0.00 175.10 176.09 2qz8 h ALA 113 N 2.57 0.57 -2.91 1.32 0.00 -1.83 -1.54 119.26 117.44 2qz8 h ALA 113 Ca -0.33 -0.78 0.06 0.00 0.00 0.00 0.00 54.91 53.87 2qz8 h ALA 113 Cb 1.24 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 2qz8 h ALA 113 CO 0.50 1.05 0.28 -1.54 0.00 0.00 0.00 179.25 179.54 2qz8 s SER 114 N -6.79 -0.18 0.18 0.00 1.04 -1.26 -4.03 113.70 102.66 2qz8 s SER 114 Ca -0.00 -0.72 -0.13 0.00 0.48 0.00 0.00 55.95 55.58 2qz8 s SER 114 Cb 0.11 0.72 0.12 0.00 0.10 0.00 0.00 66.02 67.07 2qz8 s SER 114 CO 0.80 -1.37 1.81 0.00 0.98 0.00 0.00 173.24 175.46 2qz8 h ALA 115 N 2.00 0.68 -0.42 5.32 0.00 -1.98 0.18 119.26 125.04 2qz8 h ALA 115 Ca -0.23 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2qz8 h ALA 115 Cb 1.25 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2qz8 h ALA 115 CO 0.28 -0.01 0.26 -0.09 0.00 0.00 0.00 179.25 179.69 2qz8 h ARG 116 N 0.59 0.57 -0.82 0.00 9.65 -1.99 -0.25 114.38 122.13 2qz8 h ARG 116 Ca 0.22 -0.05 0.06 0.00 -1.10 0.00 0.00 59.98 59.11 2qz8 h ARG 116 Cb 0.06 -0.12 -0.06 0.00 -1.39 0.00 0.00 29.97 28.46 2qz8 h ARG 116 CO -0.12 0.42 0.50 0.00 2.80 0.00 0.00 179.97 183.57 2qz8 h ALA 117 N 1.12 1.13 -0.15 2.80 0.00 -1.84 -1.62 119.26 120.70 2qz8 h ALA 117 Ca 0.15 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2qz8 h ALA 117 Cb -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2qz8 h ALA 117 CO -0.03 0.23 0.09 1.25 0.00 0.00 0.00 179.25 180.79 2qz8 h LEU 118 N 0.91 0.18 -0.95 0.00 5.85 0.27 0.24 115.31 121.81 2qz8 h LEU 118 Ca 0.36 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 59.10 2qz8 h LEU 118 Cb 0.18 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 2qz8 h LEU 118 CO -0.18 0.17 0.60 -0.08 -0.34 0.00 0.00 178.44 178.61 2qz8 h GLU 119 N 0.18 1.07 -0.37 1.25 4.81 -0.65 0.14 114.58 120.99 2qz8 h GLU 119 Ca 0.05 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 2qz8 h GLU 119 Cb 0.02 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 2qz8 h GLU 119 CO -0.01 0.71 0.02 -0.44 -0.73 0.00 0.00 179.01 178.56 2qz8 h ASP 120 N 1.10 0.62 -0.49 1.04 3.32 -0.94 -1.92 116.42 119.16 2qz8 h ASP 120 Ca 0.41 -0.29 0.03 0.00 0.02 0.00 0.00 57.03 57.20 2qz8 h ASP 120 Cb 0.16 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 2qz8 h ASP 120 CO -0.17 0.76 0.27 0.25 -1.72 0.00 0.00 179.24 178.62 2qz8 h LEU 121 N 0.47 0.41 -0.62 1.55 5.85 -0.11 -1.18 115.31 121.68 2qz8 h LEU 121 Ca 0.11 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.89 2qz8 h LEU 121 Cb 0.42 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 2qz8 h LEU 121 CO 0.01 0.29 0.36 -0.07 -0.34 0.00 0.00 178.44 178.69 2qz8 h LEU 122 N 0.53 0.56 -0.35 2.25 4.07 -0.23 0.87 115.31 123.00 2qz8 h LEU 122 Ca 0.21 0.02 -0.04 0.00 0.08 0.00 0.00 57.88 58.15 2qz8 h LEU 122 Cb 0.08 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 2qz8 h LEU 122 CO -0.12 0.38 0.08 -0.61 -1.08 0.00 0.00 178.44 177.08 2qz8 h GLN 123 N 0.69 0.56 -0.63 1.13 5.75 -0.99 0.17 115.11 121.78 2qz8 h GLN 123 Ca 0.26 -0.14 0.05 0.00 -0.15 0.00 0.00 58.65 58.68 2qz8 h GLN 123 Cb 0.09 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 28.52 2qz8 h GLN 123 CO -0.14 0.61 0.34 -0.09 -2.65 0.00 0.00 178.83 176.91 2qz8 h ARG 124 N 0.41 0.63 -0.29 1.69 2.43 -0.72 -0.92 114.38 117.60 2qz8 h ARG 124 Ca 0.11 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2qz8 h ARG 124 Cb 0.31 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 2qz8 h ARG 124 CO 0.00 0.42 0.17 0.82 -1.51 0.00 0.00 179.97 179.87 2qz8 h ILE 125 N 0.65 1.10 -0.50 1.20 2.04 -0.55 0.08 117.51 121.53 2qz8 h ILE 125 Ca 0.28 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 2qz8 h ILE 125 Cb 0.16 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 2qz8 h ILE 125 CO -0.17 0.10 0.24 0.03 0.00 0.00 0.00 178.15 178.35 2qz8 h ARG 126 N 0.37 0.72 -0.16 2.37 3.08 -0.52 -2.17 114.38 118.07 2qz8 h ARG 126 Ca 0.10 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 2qz8 h ARG 126 Cb 0.02 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 2qz8 h ARG 126 CO -0.02 0.60 -0.11 1.15 -1.07 0.00 0.00 179.97 180.52 2qz8 h THR 127 N 0.66 1.33 -0.64 2.04 2.02 -1.17 0.11 112.91 117.27 2qz8 h THR 127 Ca 0.17 -1.21 0.03 0.00 0.77 0.00 0.00 66.41 66.17 2qz8 h THR 127 Cb 0.12 1.78 -0.04 0.00 -1.74 0.00 0.00 68.15 68.28 2qz8 h THR 127 CO -0.02 0.36 0.39 0.74 0.37 0.00 0.00 175.52 177.35 2qz8 h THR 128 N 0.01 1.06 -0.15 3.16 2.02 -0.86 -3.16 112.91 115.00 2qz8 h THR 128 Ca 0.03 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.95 2qz8 h THR 128 Cb 0.61 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 2qz8 h THR 128 CO 0.03 0.14 0.00 0.00 0.37 0.00 0.00 175.52 176.06 2qz8 n ALA 129 N -2.31 2.29 -3.41 6.16 0.00 -0.83 -4.95 120.51 117.47 2qz8 n ALA 129 Ca 0.06 -0.86 -0.20 0.00 0.00 0.00 0.00 53.44 52.45 2qz8 n ALA 129 Cb 0.09 -0.30 0.05 0.00 0.00 0.00 0.00 19.45 19.29 2qz8 n ALA 129 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2qz8 n ASN 130 N 0.35 -6.25 -4.11 0.00 4.05 0.35 -4.83 115.26 104.82 2qz8 n ASN 130 Ca 0.07 -0.74 -0.08 0.00 0.45 0.00 0.00 54.58 54.28 2qz8 n ASN 130 Cb 0.30 -4.33 -0.10 0.00 1.23 0.00 0.00 39.78 36.88 2qz8 n ASN 130 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 2qz8 s VAL 131 N -3.33 0.18 0.28 3.44 -7.23 -1.03 -1.30 120.40 111.40 2qz8 s VAL 131 Ca 0.37 -1.85 -0.00 0.00 -1.81 0.00 0.00 61.98 58.69 2qz8 s VAL 131 Cb -0.09 -1.71 -0.04 0.00 0.56 0.00 0.00 36.38 35.10 2qz8 s VAL 131 CO 0.80 -0.80 0.48 0.00 -0.31 0.00 0.00 175.10 175.26 2qz8 s ARG 132 N -3.97 3.52 -0.15 4.82 1.70 -0.13 -4.46 118.95 120.29 2qz8 s ARG 132 Ca 0.13 -0.32 0.00 0.00 -0.47 0.00 0.00 55.73 55.07 2qz8 s ARG 132 Cb 0.08 -2.74 0.03 0.00 -0.57 0.00 0.00 34.95 31.74 2qz8 s ARG 132 CO -0.06 0.27 -0.12 0.99 -1.08 0.00 0.00 175.30 175.31 2qz8 s THR 133 N -2.09 1.43 -0.21 4.99 2.01 -1.26 -1.86 115.64 118.65 2qz8 s THR 133 Ca 0.39 -0.61 -0.03 0.00 0.31 0.00 0.00 61.69 61.76 2qz8 s THR 133 Cb -0.10 -1.40 -0.00 0.00 0.01 0.00 0.00 72.50 71.00 2qz8 s THR 133 CO 0.32 0.38 -0.08 -0.60 -0.69 0.00 0.00 174.62 173.95 2qz8 s ARG 134 N 1.53 3.31 -0.20 4.92 3.52 1.00 -4.97 118.95 128.06 2qz8 s ARG 134 Ca 0.04 -0.66 -0.06 0.00 -0.13 0.00 0.00 55.73 54.92 2qz8 s ARG 134 Cb -0.13 -2.91 -0.03 0.00 -1.56 0.00 0.00 34.95 30.32 2qz8 s ARG 134 CO -0.10 -0.17 0.03 0.45 -0.81 0.00 0.00 175.30 174.70 2qz8 s SER 135 N 1.37 5.10 -0.34 -2.12 0.15 -1.26 -0.20 113.70 116.40 2qz8 s SER 135 Ca 0.05 -0.12 -0.05 0.00 0.70 0.00 0.00 55.95 56.52 2qz8 s SER 135 Cb -0.14 -1.88 0.05 0.00 -1.71 0.00 0.00 66.02 62.34 2qz8 s SER 135 CO -0.04 0.08 0.10 -0.89 1.20 0.00 0.00 173.24 173.69 2qz8 s THR 136 N 0.90 3.57 0.20 6.45 2.01 0.74 -5.00 115.64 124.51 2qz8 s THR 136 Ca 0.02 -1.30 -0.30 0.00 0.31 0.00 0.00 61.69 60.42 2qz8 s THR 136 Cb -0.14 -3.08 -0.08 0.00 0.01 0.00 0.00 72.50 69.21 2qz8 s THR 136 CO 0.02 -0.23 0.97 -0.63 -0.69 0.00 0.00 174.62 174.06 2qz8 s ILE 137 N 1.34 4.16 -0.09 1.82 1.01 -1.26 -0.77 121.20 127.41 2qz8 s ILE 137 Ca -0.01 2.01 -0.22 0.00 0.00 0.00 0.00 60.65 62.43 2qz8 s ILE 137 Cb -0.20 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 37.95 2qz8 s ILE 137 CO 0.01 0.41 0.63 -0.63 0.00 0.00 0.00 174.94 175.37 2qz8 s ILE 138 N -0.72 5.08 -0.09 2.92 1.01 -0.65 -4.93 121.20 123.82 2qz8 s ILE 138 Ca 0.44 1.28 0.05 0.00 0.00 0.00 0.00 60.65 62.42 2qz8 s ILE 138 Cb -0.26 -3.97 -0.24 0.00 0.01 0.00 0.00 42.46 38.00 2qz8 s ILE 138 CO 0.32 0.26 0.48 0.18 0.00 0.00 0.00 174.94 176.18 2qz8 n LEU 139 N 3.88 1.61 -3.59 2.97 4.77 -1.26 -4.63 117.00 120.75 2qz8 n LEU 139 Ca -0.03 0.29 -0.15 0.00 -0.03 0.00 0.00 56.01 56.10 2qz8 n LEU 139 Cb 0.51 -0.37 -0.07 0.00 -2.33 0.00 0.00 43.42 41.17 2qz8 n LEU 139 CO 0.46 0.60 0.46 0.21 -1.33 0.00 0.00 177.39 177.79 2qz8 s ASN 140 N -6.46 -0.69 -0.36 -1.43 2.47 -1.26 -5.12 114.94 102.10 2qz8 s ASN 140 Ca -0.13 1.14 -0.12 0.00 0.42 0.00 0.00 52.86 54.17 2qz8 s ASN 140 Cb 0.07 1.09 0.00 0.00 -1.45 0.00 0.00 41.25 40.97 2qz8 s ASN 140 CO 0.80 -0.36 0.23 -0.89 -3.72 0.00 0.00 177.10 173.16 2qz8 s THR 141 N -0.17 4.99 -0.05 -5.21 2.01 -1.26 -4.96 115.64 110.98 2qz8 s THR 141 Ca -0.03 -0.49 -0.23 0.00 0.31 0.00 0.00 61.69 61.25 2qz8 s THR 141 Cb -0.03 -3.65 -0.26 0.00 0.01 0.00 0.00 72.50 68.57 2qz8 s THR 141 CO 0.03 -0.11 0.98 -0.26 -0.69 0.00 0.00 174.62 174.57 2qz8 h PHE 142 N 8.48 0.39 -3.44 4.92 0.04 -2.05 -3.47 116.94 121.80 2qz8 h PHE 142 Ca -0.29 -0.24 -0.05 0.00 2.80 0.00 0.00 57.97 60.19 2qz8 h PHE 142 Cb 1.14 -0.03 -0.12 0.00 2.20 0.00 0.00 35.95 39.13 2qz8 h PHE 142 CO 0.61 1.10 -0.08 1.52 -0.60 0.00 0.00 178.31 180.87 2qz8 s TYR 143 N -2.85 -0.07 0.26 -0.55 -0.85 -1.26 -5.19 117.35 106.84 2qz8 s TYR 143 Ca -0.15 -0.27 -0.18 0.00 -0.52 0.00 0.00 57.07 55.95 2qz8 s TYR 143 Cb 0.01 0.26 0.01 0.00 0.38 0.00 0.00 41.96 42.62 2qz8 s TYR 143 CO 0.78 -0.79 0.61 -1.54 -1.52 0.00 0.00 175.55 173.09 2qz8 s SER 144 N -2.86 -0.21 -1.95 -0.18 1.04 -1.26 -4.96 113.70 103.33 2qz8 s SER 144 Ca 0.08 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.81 2qz8 s SER 144 Cb 0.01 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.79 2qz8 s SER 144 CO -0.06 -1.24 0.00 0.47 0.98 0.00 0.00 173.24 173.39 2qz8 n ASP 145 N -0.42 -5.59 -4.54 7.02 10.43 -1.26 -4.93 116.55 117.27 2qz8 n ASP 145 Ca -0.04 0.24 -0.43 0.00 2.57 0.00 0.00 54.79 57.14 2qz8 n ASP 145 Cb 0.61 -4.79 -0.04 0.00 1.84 0.00 0.00 41.12 38.74 2qz8 n ASP 145 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 2qz8 s ARG 146 N -4.41 3.38 0.32 -1.24 0.52 -1.26 -5.00 118.95 111.27 2qz8 s ARG 146 Ca 0.00 -0.14 -0.15 0.00 -0.52 0.00 0.00 55.73 54.92 2qz8 s ARG 146 Cb 0.00 -4.04 -0.09 0.00 0.52 0.00 0.00 34.95 31.34 2qz8 s ARG 146 CO 0.00 -1.53 0.74 -0.65 0.02 0.00 0.00 175.30 173.88 2qz8 s GLN 147 N 4.18 4.00 -0.30 3.54 -0.21 -1.26 -5.05 119.66 124.56 2qz8 s GLN 147 Ca 0.33 0.66 0.03 0.00 0.02 0.00 0.00 55.36 56.41 2qz8 s GLN 147 Cb -0.11 -2.43 0.08 0.00 1.00 0.00 0.00 33.01 31.55 2qz8 s GLN 147 CO 0.21 0.15 -0.02 -1.58 -2.12 0.00 0.00 175.29 171.93 2qz8 s HIS 148 N -1.99 3.37 -0.46 0.91 5.65 -1.26 -5.07 115.29 116.43 2qz8 s HIS 148 Ca 0.54 -2.59 -0.19 0.00 0.25 0.00 0.00 55.06 53.07 2qz8 s HIS 148 Cb -0.10 -2.39 0.04 0.00 -1.18 0.00 0.00 32.58 28.95 2qz8 s HIS 148 CO 0.18 -0.91 0.57 0.42 -0.65 0.00 0.00 174.74 174.35 2qz8 s ILE 149 N 1.05 4.93 -2.00 0.89 -1.09 -1.26 -5.20 121.20 118.52 2qz8 s ILE 149 Ca 0.02 -0.30 0.15 0.00 -2.23 0.00 0.00 60.65 58.29 2qz8 s ILE 149 Cb -0.19 -4.19 0.43 0.00 -1.58 0.00 0.00 42.46 36.93 2qz8 s ILE 149 CO -0.08 -0.63 1.33 -2.65 -1.23 0.00 0.00 174.94 171.68