#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qz8 n ASP 6 N 0.00 0.43 0.24 -1.43 5.75 -1.26 -4.82 116.55 115.46 2qz8 n ASP 6 Ca 0.00 -1.55 0.08 0.00 -0.01 0.00 0.00 54.79 53.31 2qz8 n ASP 6 Cb 0.00 -0.66 0.58 0.00 -1.03 0.00 0.00 41.12 40.01 2qz8 n ASP 6 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2qz8 h ASP 7 N -0.99 0.00 0.40 -1.12 5.19 -2.06 -1.27 116.42 116.57 2qz8 h ASP 7 Ca -0.30 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 55.80 2qz8 h ASP 7 Cb 0.91 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.37 2qz8 h ASP 7 CO 0.24 0.18 -1.78 -0.38 -3.12 0.00 0.00 179.24 174.38 2qz8 n ILE 8 N -4.02 1.66 0.04 0.35 5.41 -1.26 -3.90 119.36 117.65 2qz8 n ILE 8 Ca -0.02 -0.76 -0.08 0.00 1.00 0.00 0.00 62.75 62.89 2qz8 n ILE 8 Cb 0.26 -1.24 0.07 0.00 -0.71 0.00 0.00 39.64 38.02 2qz8 n ILE 8 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 2qz8 h ASP 9 N 0.02 0.48 0.00 4.38 3.32 -1.90 -2.67 116.42 120.05 2qz8 h ASP 9 Ca -0.32 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.46 2qz8 h ASP 9 Cb 2.02 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 41.43 2qz8 h ASP 9 CO 0.08 0.97 0.25 0.03 -1.72 0.00 0.00 179.24 178.85 2qz8 h ARG 10 N 0.32 0.00 0.00 3.56 3.08 -1.34 -0.47 114.38 119.53 2qz8 h ARG 10 Ca -0.00 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.66 2qz8 h ARG 10 Cb 1.13 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.11 2qz8 h ARG 10 CO 0.10 0.00 -2.45 -0.89 -1.07 0.00 0.00 179.97 175.66 2qz8 n ILE 11 N -2.73 1.49 -0.24 2.04 5.41 -1.08 -3.23 119.36 121.02 2qz8 n ILE 11 Ca -0.02 -0.61 -0.04 0.00 1.00 0.00 0.00 62.75 63.08 2qz8 n ILE 11 Cb 0.29 -1.31 0.07 0.00 -0.71 0.00 0.00 39.64 37.98 2qz8 n ILE 11 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2qz8 h LEU 12 N 0.00 0.72 -0.12 1.39 3.38 -0.97 0.04 115.31 119.75 2qz8 h LEU 12 Ca -0.57 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.31 2qz8 h LEU 12 Cb 1.95 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.54 2qz8 h LEU 12 CO -0.07 0.50 -0.25 0.58 0.09 0.00 0.00 178.44 179.29 2qz8 h VAL 13 N 0.85 1.38 -0.64 1.22 2.07 -1.32 -0.55 116.25 119.27 2qz8 h VAL 13 Ca 0.27 -1.53 0.05 0.00 0.82 0.00 0.00 66.70 66.31 2qz8 h VAL 13 Cb -0.00 2.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.80 2qz8 h VAL 13 CO -0.10 0.45 0.36 -0.09 0.02 0.00 0.00 177.57 178.20 2qz8 h ARG 14 N -0.05 0.65 -0.20 1.57 9.65 -1.50 0.29 114.38 124.80 2qz8 h ARG 14 Ca 0.00 -0.04 -0.15 0.00 -1.10 0.00 0.00 59.98 58.70 2qz8 h ARG 14 Cb 0.84 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.28 2qz8 h ARG 14 CO 0.05 0.43 -0.45 0.93 2.80 0.00 0.00 179.97 183.73 2qz8 h GLU 15 N 0.67 0.66 -0.02 0.20 4.39 -0.98 -2.29 114.58 117.20 2qz8 h GLU 15 Ca 0.28 -0.44 -0.09 0.00 0.34 0.00 0.00 59.36 59.45 2qz8 h GLU 15 Cb 0.15 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2qz8 h GLU 15 CO -0.17 1.06 -0.39 -0.07 -1.16 0.00 0.00 179.01 178.28 2qz8 h LEU 16 N 0.35 0.05 -1.16 1.33 3.38 -0.86 -1.87 115.31 116.53 2qz8 h LEU 16 Ca 0.00 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 2qz8 h LEU 16 Cb 1.06 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 2qz8 h LEU 16 CO 0.10 0.43 -0.35 0.00 0.09 0.00 0.00 178.44 178.72 2qz8 h ALA 17 N 1.57 1.13 0.51 1.53 0.00 -0.35 -2.56 119.26 121.09 2qz8 h ALA 17 Ca 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2qz8 h ALA 17 Cb 0.71 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2qz8 h ALA 17 CO 0.05 0.44 -0.24 0.00 0.00 0.00 0.00 179.25 179.49 2qz8 h ALA 18 N 1.65 -0.68 -2.09 0.00 0.00 -0.75 -3.45 119.26 113.94 2qz8 h ALA 18 Ca -0.00 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.74 2qz8 h ALA 18 Cb 0.76 0.26 -0.22 0.00 0.00 0.00 0.00 17.79 18.60 2qz8 h ALA 18 CO 0.05 -0.71 -0.08 0.16 0.00 0.00 0.00 179.25 178.66 2qz8 s ASP 19 N -4.77 -0.93 0.60 0.00 3.84 -1.02 -5.04 116.67 109.35 2qz8 s ASP 19 Ca -0.13 1.45 0.29 0.00 -0.00 0.00 0.00 52.55 54.16 2qz8 s ASP 19 Cb 0.02 1.64 1.53 0.00 -1.38 0.00 0.00 42.92 44.73 2qz8 s ASP 19 CO 0.45 -0.23 1.93 1.23 -0.00 0.00 0.00 175.17 178.55 2qz8 h GLY 20 N 7.42 0.00 2.00 2.12 0.00 -1.72 -2.14 103.07 110.75 2qz8 h GLY 20 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2qz8 h GLY 20 CO 0.15 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.23 2qz8 n ARG 21 N -3.59 0.13 -1.68 4.80 1.74 -1.26 -4.78 116.66 112.02 2qz8 n ARG 21 Ca 0.06 0.40 -0.48 0.00 -0.77 0.00 0.00 57.85 57.05 2qz8 n ARG 21 Cb 0.57 -1.76 -0.05 0.00 -1.02 0.00 0.00 32.46 30.20 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 -2.00 0.58 -2.04 1.55 3.14 -0.81 -4.91 118.33 113.84 2qz8 n VAL 22 Ca 0.02 -0.10 -0.33 0.00 -2.96 0.00 0.00 64.34 60.97 2qz8 n VAL 22 Cb 0.18 -1.89 0.01 0.00 -1.06 0.00 0.00 33.84 31.09 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 4.02 3.69 0.28 1.55 -4.23 -1.26 -4.82 115.64 114.88 2qz8 s THR 23 Ca 0.92 0.82 -0.02 0.00 -1.18 0.00 0.00 61.69 62.24 2qz8 s THR 23 Cb -0.68 -3.34 0.36 0.00 1.34 0.00 0.00 72.50 70.18 2qz8 s THR 23 CO 0.51 -0.45 1.60 -0.07 -0.54 0.00 0.00 174.62 175.67 2qz8 h LEU 24 N 0.47 -0.39 -0.58 4.79 3.38 -1.95 -0.29 115.31 120.74 2qz8 h LEU 24 Ca -0.47 0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 2qz8 h LEU 24 Cb 1.23 0.42 -0.03 0.00 0.09 0.00 0.00 40.66 42.36 2qz8 h LEU 24 CO 0.57 -0.27 0.32 0.28 0.09 0.00 0.00 178.44 179.43 2qz8 h SER 25 N 0.07 0.73 0.20 -0.43 0.02 -1.91 0.61 113.55 112.84 2qz8 h SER 25 Ca 0.52 -0.10 -0.07 0.00 -0.84 0.00 0.00 61.79 61.31 2qz8 h SER 25 Cb 1.02 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.36 2qz8 h SER 25 CO -0.80 0.62 -0.28 -0.33 -1.14 0.00 0.00 176.83 174.89 2qz8 h GLU 26 N 0.79 0.14 -0.14 3.45 5.08 -1.47 -2.72 114.58 119.71 2qz8 h GLU 26 Ca 0.21 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 2qz8 h GLU 26 Cb 0.05 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 2qz8 h GLU 26 CO -0.03 0.42 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.26 2qz8 h LEU 27 N 0.12 0.30 -0.09 1.33 3.38 -0.35 -2.90 115.31 117.10 2qz8 h LEU 27 Ca 0.02 -0.41 0.03 0.00 0.09 0.00 0.00 57.88 57.60 2qz8 h LEU 27 Cb 0.57 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 2qz8 h LEU 27 CO 0.04 0.65 -0.50 0.00 0.09 0.00 0.00 178.44 178.72 2qz8 h ALA 28 N 0.66 -0.87 -0.34 1.53 0.00 -0.63 0.95 119.26 120.57 2qz8 h ALA 28 Ca 0.03 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.92 2qz8 h ALA 28 Cb 0.53 0.96 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 2qz8 h ALA 28 CO 0.02 -1.05 0.23 1.15 0.00 0.00 0.00 179.25 179.60 2qz8 h THR 29 N -0.56 0.98 0.00 0.00 2.02 -1.57 0.30 112.91 114.09 2qz8 h THR 29 Ca 0.02 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 67.06 2qz8 h THR 29 Cb 0.63 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 2qz8 h THR 29 CO -0.38 0.05 -0.30 -0.09 0.37 0.00 0.00 175.52 175.17 2qz8 h ARG 30 N 0.29 0.00 -0.02 6.66 9.65 -1.18 -3.15 114.38 126.62 2qz8 h ARG 30 Ca 0.14 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.02 2qz8 h ARG 30 Cb 0.22 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.80 2qz8 h ARG 30 CO -0.03 0.20 -0.22 0.00 2.80 0.00 0.00 179.97 182.71 2qz8 n ALA 31 N -2.16 2.98 -0.45 2.80 0.00 0.27 -4.94 120.51 118.99 2qz8 n ALA 31 Ca 0.03 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.80 2qz8 n ALA 31 Cb 0.62 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.29 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 1.35 0.67 0.00 0.00 0.00 0.89 -4.93 105.19 103.17 2qz8 n GLY 32 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2qz8 n GLY 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qz8 n LEU 33 N 0.00 0.00 -4.38 0.99 4.77 -0.94 -4.95 117.00 112.49 2qz8 n LEU 33 Ca 0.00 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.73 2qz8 n LEU 33 Cb 0.00 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 40.97 2qz8 n LEU 33 CO 0.00 0.00 -0.51 -0.94 -1.33 0.00 0.00 177.39 174.61 2qz8 s SER 34 N -1.00 3.11 0.55 -1.43 1.04 -1.26 -4.53 113.70 110.18 2qz8 s SER 34 Ca 0.00 -0.85 0.23 0.00 0.48 0.00 0.00 55.95 55.81 2qz8 s SER 34 Cb 0.00 -0.21 1.48 0.00 0.10 0.00 0.00 66.02 67.38 2qz8 s SER 34 CO 0.00 0.07 2.12 -0.37 0.98 0.00 0.00 173.24 176.04 2qz8 h VAL 35 N 3.29 0.75 0.00 5.02 -1.51 -1.93 0.15 116.25 122.02 2qz8 h VAL 35 Ca -0.45 0.00 -0.09 0.00 -1.23 0.00 0.00 66.70 64.93 2qz8 h VAL 35 Cb 1.20 0.91 -0.01 0.00 -2.13 0.00 0.00 31.29 31.26 2qz8 h VAL 35 CO 0.48 0.00 -0.54 -1.28 -1.23 0.00 0.00 177.57 175.00 2qz8 h SER 36 N 0.00 0.00 0.85 4.19 0.87 -1.95 -3.13 113.55 114.38 2qz8 h SER 36 Ca 0.07 -0.67 -0.05 0.00 -1.23 0.00 0.00 61.79 59.92 2qz8 h SER 36 Cb 0.32 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 2qz8 h SER 36 CO -0.00 1.15 -0.23 0.00 -0.53 0.00 0.00 176.83 177.22 2qz8 h ALA 37 N -0.33 1.05 0.00 6.23 0.00 -1.92 -2.07 119.26 122.22 2qz8 h ALA 37 Ca -0.14 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.39 2qz8 h ALA 37 Cb 1.02 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2qz8 h ALA 37 CO -0.09 0.28 -0.82 0.28 0.00 0.00 0.00 179.25 178.91 2qz8 h VAL 38 N 0.00 1.55 0.00 0.00 2.07 -0.87 -1.42 116.25 117.58 2qz8 h VAL 38 Ca -0.00 -2.84 0.00 0.00 0.82 0.00 0.00 66.70 64.68 2qz8 h VAL 38 Cb 0.71 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 2qz8 h VAL 38 CO 0.03 0.80 -0.12 0.00 0.02 0.00 0.00 177.57 178.31 2qz8 n GLN 39 N -3.51 0.26 -0.01 1.57 -0.00 -0.83 -2.07 117.38 112.78 2qz8 n GLN 39 Ca -0.00 0.18 -0.16 0.00 -0.00 0.00 0.00 57.00 57.02 2qz8 n GLN 39 Cb 0.80 -1.77 -0.14 0.00 -0.00 0.00 0.00 30.24 29.13 2qz8 n GLN 39 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 2qz8 n SER 40 N -2.20 1.58 -0.12 2.61 3.41 -0.88 -2.35 113.62 115.67 2qz8 n SER 40 Ca 0.05 0.30 -0.07 0.00 -0.26 0.00 0.00 58.87 58.89 2qz8 n SER 40 Cb 0.43 -0.51 0.01 0.00 -0.26 0.00 0.00 64.21 63.87 2qz8 n SER 40 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2qz8 h ARG 41 N 0.04 0.45 -0.44 4.33 3.08 -1.27 -0.51 114.38 120.06 2qz8 h ARG 41 Ca -0.36 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.59 2qz8 h ARG 41 Cb 2.03 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 31.96 2qz8 h ARG 41 CO 0.09 0.30 -0.01 0.28 -1.07 0.00 0.00 179.97 179.55 2qz8 h VAL 42 N 0.46 1.24 0.00 2.04 2.07 -1.54 0.17 116.25 120.69 2qz8 h VAL 42 Ca 0.15 -0.97 -0.04 0.00 0.82 0.00 0.00 66.70 66.66 2qz8 h VAL 42 Cb 0.00 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2qz8 h VAL 42 CO -0.07 0.34 -0.18 -0.09 0.02 0.00 0.00 177.57 177.59 2qz8 h ARG 43 N 0.68 0.00 0.00 1.57 2.43 -1.08 -2.04 114.38 115.93 2qz8 h ARG 43 Ca 0.13 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.24 2qz8 h ARG 43 Cb 0.44 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 2qz8 h ARG 43 CO 0.02 0.18 -0.33 -0.09 -1.51 0.00 0.00 179.97 178.24 2qz8 h ARG 44 N 0.00 0.00 -1.08 0.20 2.43 -0.02 -2.68 114.38 113.23 2qz8 h ARG 44 Ca -0.00 0.00 0.30 0.00 -0.81 0.00 0.00 59.98 59.47 2qz8 h ARG 44 Cb 0.37 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 29.81 2qz8 h ARG 44 CO 0.02 0.99 0.67 -0.07 -1.51 0.00 0.00 179.97 180.08 2qz8 h LEU 45 N -1.00 0.46 -0.27 3.80 3.38 -0.65 0.85 115.31 121.89 2qz8 h LEU 45 Ca -0.09 0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 2qz8 h LEU 45 Cb 1.07 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 2qz8 h LEU 45 CO -0.06 0.01 -0.39 -0.33 0.09 0.00 0.00 178.44 177.77 2qz8 h GLU 46 N 0.36 0.74 0.00 1.13 5.08 -1.41 -0.33 114.58 120.15 2qz8 h GLU 46 Ca 0.66 -0.44 -0.07 0.00 -1.00 0.00 0.00 59.36 58.51 2qz8 h GLU 46 Cb 1.66 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.94 2qz8 h GLU 46 CO -0.39 1.06 -0.35 0.66 -1.00 0.00 0.00 179.01 178.99 2qz8 h SER 47 N 0.48 0.00 0.36 1.42 4.64 -0.34 -2.61 113.55 117.49 2qz8 h SER 47 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2qz8 h SER 47 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 2qz8 h SER 47 CO 0.09 0.35 0.00 0.54 -0.87 0.00 0.00 176.83 176.94 2qz8 n ARG 48 N -3.23 0.53 -0.92 4.77 1.74 0.27 -4.89 116.66 114.93 2qz8 n ARG 48 Ca 0.02 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 2qz8 n ARG 48 Cb 0.64 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 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 0.94 0.63 0.08 -0.13 0.00 -0.98 -4.89 105.19 100.83 2qz8 n GLY 49 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 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 1.13 -3.58 1.61 2.07 -1.34 -3.36 116.25 112.79 2qz8 h VAL 50 Ca 0.00 -0.68 -0.65 0.00 0.82 0.00 0.00 66.70 66.19 2qz8 h VAL 50 Cb 0.08 1.58 -0.15 0.00 -1.52 0.00 0.00 31.29 31.28 2qz8 h VAL 50 CO 0.00 0.17 0.09 -0.69 0.02 0.00 0.00 177.57 177.15 2qz8 s VAL 51 N -4.95 4.87 -0.21 2.57 1.01 -0.66 -4.93 120.40 118.10 2qz8 s VAL 51 Ca -0.15 0.14 0.22 0.00 0.00 0.00 0.00 61.98 62.19 2qz8 s VAL 51 Cb 0.03 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 2qz8 s VAL 51 CO 0.65 -0.53 0.98 0.00 0.00 0.00 0.00 175.10 176.20 2qz8 n GLN 52 N 6.15 0.61 0.00 2.72 6.02 -1.26 -4.33 117.38 127.28 2qz8 n GLN 52 Ca -0.02 0.12 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 2qz8 n GLN 52 Cb 0.48 -1.81 0.00 0.00 1.02 0.00 0.00 30.24 29.93 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 1.21 0.56 0.01 1.08 0.00 -1.26 -5.04 105.19 101.75 2qz8 n GLY 53 Ca -0.02 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.29 0.00 -1.68 1.61 4.01 -1.26 -5.02 117.16 114.52 2qz8 n TYR 54 Ca 0.00 -0.36 -0.45 0.00 -0.16 0.00 0.00 57.90 56.93 2qz8 n TYR 54 Cb 0.00 -0.04 -0.03 0.00 -0.31 0.00 0.00 39.34 38.96 2qz8 n TYR 54 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2qz8 n SER 55 N -0.38 2.99 -4.77 7.72 7.64 -1.26 -4.91 113.62 120.66 2qz8 n SER 55 Ca 0.01 1.12 -0.39 0.00 1.01 0.00 0.00 58.87 60.62 2qz8 n SER 55 Cb 0.35 -1.45 -0.02 0.00 -1.01 0.00 0.00 64.21 62.08 2qz8 n SER 55 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qz8 s ALA 56 N 0.24 3.25 -0.19 -0.43 0.00 -1.26 -4.99 121.76 118.39 2qz8 s ALA 56 Ca 0.71 1.08 -0.27 0.00 0.00 0.00 0.00 51.96 53.48 2qz8 s ALA 56 Cb -0.64 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.05 2qz8 s ALA 56 CO 0.46 -0.61 0.91 1.03 0.00 0.00 0.00 175.76 177.55 2qz8 s ARG 57 N -2.15 4.29 -0.10 0.00 1.81 -1.26 -5.04 118.95 116.50 2qz8 s ARG 57 Ca 0.55 1.16 -0.02 0.00 -1.72 0.00 0.00 55.73 55.69 2qz8 s ARG 57 Cb -0.34 -3.60 -0.03 0.00 -0.45 0.00 0.00 34.95 30.53 2qz8 s ARG 57 CO 0.44 -0.43 -0.00 0.42 -0.68 0.00 0.00 175.30 175.04 2qz8 s ILE 58 N 2.50 4.25 -0.12 1.52 -1.09 -1.26 -5.06 121.20 121.94 2qz8 s ILE 58 Ca 0.41 -0.26 -0.30 0.00 -2.23 0.00 0.00 60.65 58.27 2qz8 s ILE 58 Cb -0.16 -2.81 -0.07 0.00 -1.58 0.00 0.00 42.46 37.84 2qz8 s ILE 58 CO 0.11 0.58 2.11 -3.20 -1.23 0.00 0.00 174.94 173.30 2qz8 n ASN 59 N 2.49 3.57 -0.09 3.58 2.85 -1.26 -4.84 115.26 121.56 2qz8 n ASN 59 Ca -0.18 0.53 0.02 0.00 -0.11 0.00 0.00 54.58 54.84 2qz8 n ASN 59 Cb 0.53 -1.52 0.33 0.00 1.24 0.00 0.00 39.78 40.36 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 12.87 0.74 -0.66 1.20 0.11 -1.97 -1.95 132.00 142.32 2qz8 h PRO 60 Ca -0.44 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 65.64 2qz8 h PRO 60 Cb 1.25 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 2qz8 h PRO 60 CO 0.95 0.52 0.41 1.49 -0.21 0.00 0.00 178.00 181.16 2qz8 h GLU 61 N 0.75 0.77 0.00 1.05 4.81 -1.88 -0.58 114.58 119.50 2qz8 h GLU 61 Ca 0.20 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 2qz8 h GLU 61 Cb -0.03 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.17 2qz8 h GLU 61 CO -0.04 0.51 -0.14 0.00 -0.73 0.00 0.00 179.01 178.61 2qz8 h ALA 62 N 1.29 1.58 -0.56 2.92 0.00 -1.67 -1.63 119.26 121.19 2qz8 h ALA 62 Ca 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2qz8 h ALA 62 Cb 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2qz8 h ALA 62 CO -0.12 0.18 0.00 1.33 0.00 0.00 0.00 179.25 180.64 2qz8 n VAL 63 N -4.10 1.62 -0.26 0.00 0.24 -0.80 -4.91 118.33 110.11 2qz8 n VAL 63 Ca -0.02 -1.02 0.00 0.00 -2.04 0.00 0.00 64.34 61.26 2qz8 n VAL 63 Cb 0.22 0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.63 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 1.00 0.86 3.43 7.63 0.00 -0.61 -5.01 105.19 112.50 2qz8 n GLY 64 Ca 0.22 -0.03 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 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 3.52 -1.53 1.61 3.76 -0.29 -4.20 115.29 116.16 2qz8 s HIS 65 Ca 0.00 -1.97 0.26 0.00 -0.15 0.00 0.00 55.06 53.20 2qz8 s HIS 65 Cb 0.00 -4.19 0.77 0.00 1.11 0.00 0.00 32.58 30.27 2qz8 s HIS 65 CO 0.00 -1.32 1.58 1.28 -0.85 0.00 0.00 174.74 175.43 2qz8 n LEU 66 N 5.34 0.79 -3.85 0.89 4.77 -0.97 -3.32 117.00 120.66 2qz8 n LEU 66 Ca 0.29 -0.14 -0.27 0.00 -0.03 0.00 0.00 56.01 55.86 2qz8 n LEU 66 Cb 0.45 -0.17 -0.17 0.00 -2.33 0.00 0.00 43.42 41.20 2qz8 n LEU 66 CO 0.54 0.16 -0.41 -0.22 -1.33 0.00 0.00 177.39 176.12 2qz8 s LEU 67 N -2.64 1.37 0.17 2.23 1.98 -0.83 -4.95 118.68 116.02 2qz8 s LEU 67 Ca 0.21 -0.57 0.10 0.00 -2.89 0.00 0.00 54.13 50.98 2qz8 s LEU 67 Cb 0.19 -0.80 -0.04 0.00 0.66 0.00 0.00 46.19 46.20 2qz8 s LEU 67 CO 0.56 -0.20 -0.16 -0.44 -1.89 0.00 0.00 176.35 174.23 2qz8 s SER 68 N 1.72 3.93 -0.03 3.68 0.01 -1.26 -0.96 113.70 120.79 2qz8 s SER 68 Ca 0.01 -0.66 -0.30 0.00 1.31 0.00 0.00 55.95 56.31 2qz8 s SER 68 Cb -0.15 -0.54 0.07 0.00 0.21 0.00 0.00 66.02 65.61 2qz8 s SER 68 CO -0.07 0.12 0.66 0.00 0.41 0.00 0.00 173.24 174.36 2qz8 s ALA 69 N -1.59 -1.73 -0.09 1.44 0.00 -0.64 -1.36 121.76 117.79 2qz8 s ALA 69 Ca 0.22 1.23 -0.22 0.00 0.00 0.00 0.00 51.96 53.19 2qz8 s ALA 69 Cb -0.09 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 2qz8 s ALA 69 CO 0.13 -0.40 0.64 -0.06 0.00 0.00 0.00 175.76 176.07 2qz8 s PHE 70 N -1.41 3.55 -0.22 0.00 0.08 0.44 -0.81 117.98 119.61 2qz8 s PHE 70 Ca -0.10 1.14 0.01 0.00 0.12 0.00 0.00 56.93 58.10 2qz8 s PHE 70 Cb -0.00 -2.75 0.03 0.00 -0.57 0.00 0.00 43.02 39.73 2qz8 s PHE 70 CO 0.08 0.09 -0.13 0.08 -0.10 0.00 0.00 175.22 175.23 2qz8 s VAL 71 N 0.84 2.38 -0.19 -0.44 1.01 0.16 0.56 120.40 124.72 2qz8 s VAL 71 Ca 0.34 -1.12 -0.16 0.00 0.00 0.00 0.00 61.98 61.05 2qz8 s VAL 71 Cb -0.17 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 2qz8 s VAL 71 CO 0.16 0.30 0.38 0.00 0.00 0.00 0.00 175.10 175.93 2qz8 s ALA 72 N 1.26 3.56 0.07 5.51 0.00 -0.13 -0.46 121.76 131.57 2qz8 s ALA 72 Ca 0.00 -0.49 0.09 0.00 0.00 0.00 0.00 51.96 51.56 2qz8 s ALA 72 Cb -0.16 -2.58 -0.03 0.00 0.00 0.00 0.00 23.12 20.35 2qz8 s ALA 72 CO -0.08 -0.19 -0.24 0.96 0.00 0.00 0.00 175.76 176.21 2qz8 s ILE 73 N 1.07 1.92 -0.07 0.00 -4.36 0.40 -0.95 121.20 119.21 2qz8 s ILE 73 Ca 0.19 -1.43 0.00 0.00 -0.26 0.00 0.00 60.65 59.15 2qz8 s ILE 73 Cb -0.14 -1.68 0.02 0.00 1.25 0.00 0.00 42.46 41.91 2qz8 s ILE 73 CO 0.07 0.17 -0.05 -0.89 0.24 0.00 0.00 174.94 174.49 2qz8 s THR 74 N -0.93 0.66 0.30 8.37 2.01 -0.98 -1.61 115.64 123.46 2qz8 s THR 74 Ca 0.10 -0.12 -0.28 0.00 0.31 0.00 0.00 61.69 61.70 2qz8 s THR 74 Cb -0.10 -0.72 -0.13 0.00 0.01 0.00 0.00 72.50 71.56 2qz8 s THR 74 CO 0.03 0.28 1.10 -2.65 -0.69 0.00 0.00 174.62 172.70 2qz8 n PRO 75 N 4.58 1.60 0.25 4.92 -0.02 -1.26 -0.97 135.00 144.10 2qz8 n PRO 75 Ca -0.16 0.56 0.15 0.00 -2.02 0.00 0.00 63.50 62.02 2qz8 n PRO 75 Cb 0.50 -2.00 0.53 0.00 -0.02 0.00 0.00 33.50 32.51 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 2.19 0.00 -6.91 2.45 3.38 -1.66 -3.33 115.31 111.43 2qz8 h LEU 76 Ca -0.42 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 56.95 2qz8 h LEU 76 Cb 1.32 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.67 2qz8 h LEU 76 CO 0.61 0.05 -0.75 -0.62 0.09 0.00 0.00 178.44 177.83 2qz8 s ASP 77 N -5.91 3.51 0.00 -0.43 2.15 -1.26 -4.98 116.67 109.75 2qz8 s ASP 77 Ca 0.02 -2.83 0.12 0.00 0.43 0.00 0.00 52.55 50.30 2qz8 s ASP 77 Cb 0.08 -1.02 0.64 0.00 -0.30 0.00 0.00 42.92 42.32 2qz8 s ASP 77 CO 0.59 -0.23 1.29 -2.65 -0.17 0.00 0.00 175.17 174.00 2qz8 n PRO 78 N 3.27 0.20 0.00 4.34 -0.02 -1.25 -2.95 135.00 138.59 2qz8 n PRO 78 Ca 0.13 0.15 0.12 0.00 -2.02 0.00 0.00 63.50 61.87 2qz8 n PRO 78 Cb 0.36 -1.50 0.57 0.00 -0.02 0.00 0.00 33.50 32.91 2qz8 n PRO 78 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2qz8 n SER 79 N -1.25 0.00 -4.42 2.55 3.41 -1.26 -4.79 113.62 107.87 2qz8 n SER 79 Ca 0.06 0.24 -0.22 0.00 -0.26 0.00 0.00 58.87 58.68 2qz8 n SER 79 Cb 0.09 -0.40 -0.10 0.00 -0.26 0.00 0.00 64.21 63.54 2qz8 n SER 79 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2qz8 s GLN 80 N -2.80 1.52 -0.11 4.33 -1.52 -1.15 -5.08 119.66 114.85 2qz8 s GLN 80 Ca 0.17 -1.66 -0.29 0.00 -1.95 0.00 0.00 55.36 51.63 2qz8 s GLN 80 Cb 0.16 -1.54 -0.05 0.00 -0.22 0.00 0.00 33.01 31.36 2qz8 s GLN 80 CO 0.41 0.29 1.78 -2.14 -0.25 0.00 0.00 175.29 175.38 2qz8 s PRO 81 N -3.39 3.92 0.04 2.91 0.02 -1.26 -4.88 135.00 132.36 2qz8 s PRO 81 Ca 0.25 2.10 0.10 0.00 0.02 0.00 0.00 61.00 63.47 2qz8 s PRO 81 Cb -0.04 -4.09 -0.22 0.00 0.02 0.00 0.00 34.50 30.17 2qz8 s PRO 81 CO 0.11 -1.17 0.98 0.38 -0.33 0.00 0.00 177.00 176.97 2qz8 h ASP 82 N 10.84 0.00 -3.30 2.53 3.04 -1.93 -3.48 116.42 124.12 2qz8 h ASP 82 Ca -0.40 0.00 -0.37 0.00 -3.24 0.00 0.00 57.03 53.02 2qz8 h ASP 82 Cb 1.19 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.47 2qz8 h ASP 82 CO 0.97 0.99 -0.48 -0.67 -2.04 0.00 0.00 179.24 178.00 2qz8 n ASP 83 N -3.19 -5.41 -0.16 4.15 4.64 -1.26 -4.88 116.55 110.44 2qz8 n ASP 83 Ca -0.08 0.02 -0.08 0.00 -1.38 0.00 0.00 54.79 53.27 2qz8 n ASP 83 Cb 0.99 -4.51 0.01 0.00 -1.04 0.00 0.00 41.12 36.57 2qz8 n ASP 83 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2qz8 h ALA 84 N 1.00 0.59 -0.21 -1.67 0.00 -1.92 -1.55 119.26 115.50 2qz8 h ALA 84 Ca -0.45 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.41 2qz8 h ALA 84 Cb 1.33 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 2qz8 h ALA 84 CO 0.52 0.13 -0.01 -1.35 0.00 0.00 0.00 179.25 178.54 2qz8 h PRO 85 N 0.61 0.05 -0.71 0.00 0.11 -1.97 -0.44 132.00 129.64 2qz8 h PRO 85 Ca 0.16 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.26 2qz8 h PRO 85 Cb 0.07 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.14 2qz8 h PRO 85 CO -0.02 0.03 0.43 0.00 -0.21 0.00 0.00 178.00 178.22 2qz8 h ALA 86 N 1.19 0.91 0.00 -0.75 0.00 -1.91 0.93 119.26 119.63 2qz8 h ALA 86 Ca 0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2qz8 h ALA 86 Cb 0.13 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2qz8 h ALA 86 CO -0.18 0.38 -0.05 0.00 0.00 0.00 0.00 179.25 179.40 2qz8 h ARG 87 N 0.97 0.00 -0.01 0.00 3.08 -0.86 -2.80 114.38 114.77 2qz8 h ARG 87 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 2qz8 h ARG 87 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 2qz8 h ARG 87 CO -0.05 0.05 -0.58 1.28 -1.07 0.00 0.00 179.97 179.60 2qz8 n LEU 88 N -3.30 1.15 -0.25 3.04 4.77 -0.21 -4.61 117.00 117.59 2qz8 n LEU 88 Ca -0.01 -0.61 0.13 0.00 -0.03 0.00 0.00 56.01 55.48 2qz8 n LEU 88 Cb 0.21 0.00 0.41 0.00 -2.33 0.00 0.00 43.42 41.71 2qz8 n LEU 88 CO 0.26 0.24 1.22 -0.08 -1.33 0.00 0.00 177.39 177.71 2qz8 h GLU 89 N 0.81 0.61 0.00 3.23 4.81 -0.57 -0.90 114.58 122.58 2qz8 h GLU 89 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2qz8 h GLU 89 Cb 0.46 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.70 2qz8 h GLU 89 CO 0.00 0.40 0.00 1.12 -0.73 0.00 0.00 179.01 179.80 2qz8 h HIS 90 N 0.63 0.00 -3.36 0.92 2.07 -1.81 -3.42 115.15 110.18 2qz8 h HIS 90 Ca 0.44 0.00 -0.57 0.00 -2.85 0.00 0.00 60.37 57.40 2qz8 h HIS 90 Cb 0.79 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.71 2qz8 h HIS 90 CO -0.00 0.00 0.92 0.42 -3.07 0.00 0.00 177.93 176.19 2qz8 s ILE 91 N -3.43 4.29 0.21 6.12 1.01 -0.34 -4.91 121.20 124.14 2qz8 s ILE 91 Ca 0.03 1.43 0.18 0.00 0.00 0.00 0.00 60.65 62.29 2qz8 s ILE 91 Cb 0.09 -4.37 0.12 0.00 0.01 0.00 0.00 42.46 38.31 2qz8 s ILE 91 CO 0.43 -0.63 1.75 -0.33 0.00 0.00 0.00 174.94 176.16 2qz8 h GLU 92 N 8.88 0.00 0.00 2.79 5.08 -1.87 -2.65 114.58 126.81 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 0.38 0.00 0.93 -1.00 0.00 0.00 179.01 180.38 2qz8 h GLU 93 N 0.00 0.00 -6.62 2.33 3.07 -1.91 -3.40 114.58 108.05 2qz8 h GLU 93 Ca -0.00 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.30 2qz8 h GLU 93 Cb 0.87 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.71 2qz8 h GLU 93 CO 0.05 0.00 0.97 0.08 -1.40 0.00 0.00 179.01 178.71 2qz8 s VAL 94 N -3.45 4.06 0.09 3.13 1.01 -1.00 -1.62 120.40 122.63 2qz8 s VAL 94 Ca 0.02 1.00 -0.13 0.00 0.00 0.00 0.00 61.98 62.87 2qz8 s VAL 94 Cb 0.09 -4.68 -0.18 0.00 0.00 0.00 0.00 36.38 31.61 2qz8 s VAL 94 CO 0.39 -1.23 1.27 -0.08 0.00 0.00 0.00 175.10 175.45 2qz8 h GLU 95 N 9.51 0.77 -3.77 2.72 4.81 -1.20 -3.48 114.58 123.94 2qz8 h GLU 95 Ca -0.24 -0.69 -0.08 0.00 -0.13 0.00 0.00 59.36 58.21 2qz8 h GLU 95 Cb 1.06 0.16 -0.13 0.00 0.63 0.00 0.00 28.75 30.47 2qz8 h GLU 95 CO 1.17 1.28 -0.31 -1.54 -0.73 0.00 0.00 179.01 178.88 2qz8 s SER 96 N -7.17 0.05 -0.17 1.04 1.04 -1.19 -4.98 113.70 102.31 2qz8 s SER 96 Ca -0.10 -0.67 -0.07 0.00 0.48 0.00 0.00 55.95 55.59 2qz8 s SER 96 Cb 0.08 0.39 0.08 0.00 0.10 0.00 0.00 66.02 66.66 2qz8 s SER 96 CO 0.91 -0.80 0.38 0.00 0.98 0.00 0.00 173.24 174.72 2qz8 s TYR 98 N 2.18 1.46 0.28 0.00 1.51 0.06 -5.01 117.35 117.83 2qz8 s TYR 98 Ca -0.04 -0.30 -0.27 0.00 -1.01 0.00 0.00 57.07 55.45 2qz8 s TYR 98 Cb -0.11 -0.91 -0.09 0.00 -0.11 0.00 0.00 41.96 40.73 2qz8 s TYR 98 CO -0.12 0.00 0.92 -1.54 -1.11 0.00 0.00 175.55 173.70 2qz8 s SER 99 N -0.63 7.43 0.13 2.29 1.04 -1.26 -0.90 113.70 121.81 2qz8 s SER 99 Ca 0.06 1.84 0.02 0.00 0.48 0.00 0.00 55.95 58.35 2qz8 s SER 99 Cb -0.07 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.43 2qz8 s SER 99 CO 0.00 0.04 -0.05 0.68 0.98 0.00 0.00 173.24 174.88 2qz8 s VAL 100 N -1.43 0.82 0.53 5.02 -7.23 -0.72 -4.89 120.40 112.50 2qz8 s VAL 100 Ca 0.46 -1.98 -0.08 0.00 -1.81 0.00 0.00 61.98 58.56 2qz8 s VAL 100 Cb -0.21 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.82 2qz8 s VAL 100 CO 0.27 -0.72 0.88 0.00 -0.31 0.00 0.00 175.10 175.22 2qz8 s ALA 101 N -3.55 3.28 0.00 1.32 0.00 -1.26 -4.72 121.76 116.82 2qz8 s ALA 101 Ca 0.17 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.81 2qz8 s ALA 101 Cb 0.05 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.38 2qz8 s ALA 101 CO -0.01 -0.45 0.00 0.41 0.00 0.00 0.00 175.76 175.71 2qz8 n GLY 102 N -2.37 0.03 0.18 0.00 0.00 -1.26 -4.83 105.19 96.95 2qz8 n GLY 102 Ca 0.03 -2.24 -0.20 0.00 0.00 0.00 0.00 46.02 43.61 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 1.08 0.64 -6.64 1.61 4.81 -2.02 -3.45 114.58 110.61 2qz8 h GLU 103 Ca 0.00 -0.69 -0.47 0.00 -0.13 0.00 0.00 59.36 58.07 2qz8 h GLU 103 Cb 0.00 0.19 0.02 0.00 0.63 0.00 0.00 28.75 29.59 2qz8 h GLU 103 CO 0.00 1.28 -0.11 -1.21 -0.73 0.00 0.00 179.01 178.24 2qz8 s GLU 104 N -3.30 3.35 -0.04 1.92 8.01 -1.26 -5.00 118.70 122.38 2qz8 s GLU 104 Ca -0.11 -0.30 -0.01 0.00 0.01 0.00 0.00 54.97 54.56 2qz8 s GLU 104 Cb 0.06 -2.58 -0.26 0.00 -4.31 0.00 0.00 34.13 27.03 2qz8 s GLU 104 CO 0.90 -0.05 0.68 0.77 0.01 0.00 0.00 175.26 177.58 2qz8 h SER 105 N 0.55 0.32 -5.05 -0.19 0.02 -1.59 -3.43 113.55 104.17 2qz8 h SER 105 Ca -0.48 -0.55 -0.15 0.00 -0.84 0.00 0.00 61.79 59.77 2qz8 h SER 105 Cb 1.23 -0.10 -0.19 0.00 0.14 0.00 0.00 62.40 63.47 2qz8 h SER 105 CO 0.60 1.47 -0.64 -0.31 -1.14 0.00 0.00 176.83 176.82 2qz8 s TYR 106 N -2.60 0.28 0.03 3.45 1.51 -0.96 -1.76 117.35 117.30 2qz8 s TYR 106 Ca -0.12 -0.59 0.07 0.00 -1.01 0.00 0.00 57.07 55.42 2qz8 s TYR 106 Cb 0.07 -0.21 -0.02 0.00 -0.11 0.00 0.00 41.96 41.69 2qz8 s TYR 106 CO 0.82 -0.27 -0.22 0.54 -1.11 0.00 0.00 175.55 175.31 2qz8 s VAL 107 N -2.19 1.74 0.01 0.71 0.11 -0.08 -0.46 120.40 120.25 2qz8 s VAL 107 Ca -0.09 -1.14 0.05 0.00 -2.93 0.00 0.00 61.98 57.87 2qz8 s VAL 107 Cb -0.04 -1.49 -0.02 0.00 -1.53 0.00 0.00 36.38 33.30 2qz8 s VAL 107 CO -0.03 0.31 -0.16 -0.04 -3.33 0.00 0.00 175.10 171.84 2qz8 s MET 108 N -0.99 1.22 -0.06 1.54 -1.94 0.39 -0.76 119.30 118.70 2qz8 s MET 108 Ca 0.08 -0.68 -0.17 0.00 -1.71 0.00 0.00 55.69 53.21 2qz8 s MET 108 Cb -0.09 -1.22 -0.05 0.00 2.01 0.00 0.00 34.83 35.48 2qz8 s MET 108 CO 0.01 0.32 0.47 -1.17 -0.01 0.00 0.00 175.02 174.65 2qz8 s LEU 109 N -0.71 4.36 0.03 -0.03 2.96 -1.10 0.36 118.68 124.56 2qz8 s LEU 109 Ca 0.05 0.92 0.03 0.00 -0.22 0.00 0.00 54.13 54.91 2qz8 s LEU 109 Cb -0.07 -2.70 -0.02 0.00 0.50 0.00 0.00 46.19 43.90 2qz8 s LEU 109 CO 0.00 0.12 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.37 2qz8 s VAL 110 N -0.06 0.74 -0.06 1.68 1.01 0.01 -0.82 120.40 122.91 2qz8 s VAL 110 Ca 0.26 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.41 2qz8 s VAL 110 Cb -0.16 -0.71 0.03 0.00 0.00 0.00 0.00 36.38 35.54 2qz8 s VAL 110 CO 0.12 -0.09 -0.01 -0.13 0.00 0.00 0.00 175.10 174.99 2qz8 s ARG 111 N -1.01 0.63 0.27 2.72 1.81 -0.64 -1.62 118.95 121.11 2qz8 s ARG 111 Ca -0.02 0.05 0.02 0.00 -1.72 0.00 0.00 55.73 54.06 2qz8 s ARG 111 Cb -0.07 -0.88 -0.03 0.00 -0.45 0.00 0.00 34.95 33.52 2qz8 s ARG 111 CO 0.01 -0.22 0.23 0.14 -0.68 0.00 0.00 175.30 174.77 2qz8 s VAL 112 N 1.57 0.00 0.05 3.52 -7.23 -0.13 -4.70 120.40 113.48 2qz8 s VAL 112 Ca -0.01 -1.96 0.10 0.00 -1.81 0.00 0.00 61.98 58.30 2qz8 s VAL 112 Cb -0.13 -2.50 -0.11 0.00 0.56 0.00 0.00 36.38 34.20 2qz8 s VAL 112 CO -0.03 0.00 1.37 0.00 -0.31 0.00 0.00 175.10 176.12 2qz8 h ALA 113 N 2.37 0.51 -2.45 1.32 0.00 -1.83 -2.09 119.26 117.08 2qz8 h ALA 113 Ca -0.30 -0.74 0.14 0.00 0.00 0.00 0.00 54.91 54.01 2qz8 h ALA 113 Cb 1.24 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.81 2qz8 h ALA 113 CO 0.44 1.01 0.44 -1.54 0.00 0.00 0.00 179.25 179.60 2qz8 s SER 114 N -6.64 -0.24 0.34 0.00 1.04 -1.26 -3.97 113.70 102.96 2qz8 s SER 114 Ca 0.02 -0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.12 2qz8 s SER 114 Cb 0.10 0.51 0.58 0.00 0.10 0.00 0.00 66.02 67.30 2qz8 s SER 114 CO 0.79 -0.91 2.00 0.00 0.98 0.00 0.00 173.24 176.09 2qz8 h ALA 115 N 2.00 1.50 -0.12 5.32 0.00 -1.97 0.28 119.26 126.28 2qz8 h ALA 115 Ca -0.24 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.47 2qz8 h ALA 115 Cb 1.24 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2qz8 h ALA 115 CO 0.27 0.46 -0.58 0.00 0.00 0.00 0.00 179.25 179.39 2qz8 h ARG 116 N 0.92 0.37 -0.11 0.00 -0.00 -1.99 -1.77 114.38 111.81 2qz8 h ARG 116 Ca 0.25 -0.25 -0.15 0.00 -0.50 0.00 0.00 59.98 59.33 2qz8 h ARG 116 Cb -0.10 0.03 -0.01 0.00 0.00 0.00 0.00 29.97 29.90 2qz8 h ARG 116 CO -0.05 0.85 -0.59 0.00 0.00 0.00 0.00 179.97 180.18 2qz8 h ALA 117 N 1.10 0.79 -0.22 0.04 0.00 -1.76 -2.26 119.26 116.95 2qz8 h ALA 117 Ca -0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 2qz8 h ALA 117 Cb 1.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2qz8 h ALA 117 CO 0.10 0.71 0.11 1.25 0.00 0.00 0.00 179.25 181.42 2qz8 h LEU 118 N 0.26 0.28 -0.90 0.00 5.85 -0.76 0.14 115.31 120.18 2qz8 h LEU 118 Ca -0.00 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.68 2qz8 h LEU 118 Cb 1.11 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.00 2qz8 h LEU 118 CO 0.10 0.30 0.57 -0.08 -0.34 0.00 0.00 178.44 178.99 2qz8 h GLU 119 N 0.24 1.00 -0.29 1.25 4.81 -1.22 0.20 114.58 120.56 2qz8 h GLU 119 Ca 0.08 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 2qz8 h GLU 119 Cb 0.09 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 2qz8 h GLU 119 CO -0.01 0.66 -0.01 -0.44 -0.73 0.00 0.00 179.01 178.48 2qz8 h ASP 120 N 1.03 0.52 -0.40 1.04 3.32 -1.09 -2.61 116.42 118.23 2qz8 h ASP 120 Ca 0.39 -0.32 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 2qz8 h ASP 120 Cb 0.18 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 2qz8 h ASP 120 CO -0.18 0.71 0.22 0.25 -1.72 0.00 0.00 179.24 178.53 2qz8 h LEU 121 N 0.31 0.50 -0.29 1.55 5.85 0.03 -0.53 115.31 122.74 2qz8 h LEU 121 Ca 0.08 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.76 2qz8 h LEU 121 Cb 0.45 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 2qz8 h LEU 121 CO 0.02 0.44 0.00 -0.07 -0.34 0.00 0.00 178.44 178.49 2qz8 h LEU 122 N 0.51 -0.11 -0.85 2.25 4.07 -0.61 0.19 115.31 120.77 2qz8 h LEU 122 Ca 0.14 0.06 0.05 0.00 0.08 0.00 0.00 57.88 58.21 2qz8 h LEU 122 Cb 0.06 0.11 -0.06 0.00 1.08 0.00 0.00 40.66 41.85 2qz8 h LEU 122 CO -0.02 -0.02 0.54 -0.61 -1.08 0.00 0.00 178.44 177.24 2qz8 h GLN 123 N 0.09 0.98 -0.73 1.13 5.75 -1.06 -0.33 115.11 120.94 2qz8 h GLN 123 Ca 0.14 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.55 2qz8 h GLN 123 Cb 0.18 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 28.47 2qz8 h GLN 123 CO -0.23 0.65 0.36 -0.09 -2.65 0.00 0.00 178.83 176.88 2qz8 h ARG 124 N 1.01 1.04 -0.30 1.69 2.43 0.13 -0.91 114.38 119.46 2qz8 h ARG 124 Ca 0.36 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.35 2qz8 h ARG 124 Cb 0.09 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 2qz8 h ARG 124 CO -0.15 0.80 0.08 0.82 -1.51 0.00 0.00 179.97 180.02 2qz8 h ILE 125 N 1.01 1.21 -0.71 1.20 2.04 -0.01 -1.17 117.51 121.08 2qz8 h ILE 125 Ca 0.25 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 2qz8 h ILE 125 Cb 0.10 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 2qz8 h ILE 125 CO -0.03 0.23 0.37 0.03 0.00 0.00 0.00 178.15 178.74 2qz8 h ARG 126 N 0.33 1.00 0.04 2.37 3.08 -0.78 -2.26 114.38 118.16 2qz8 h ARG 126 Ca 0.10 -0.12 -0.24 0.00 0.07 0.00 0.00 59.98 59.79 2qz8 h ARG 126 Cb 0.27 -0.19 0.02 0.00 0.08 0.00 0.00 29.97 30.14 2qz8 h ARG 126 CO -0.00 0.75 -0.95 1.15 -1.07 0.00 0.00 179.97 179.85 2qz8 h THR 127 N 1.00 1.34 -0.11 2.04 2.02 -1.04 0.79 112.91 118.95 2qz8 h THR 127 Ca 0.25 -2.27 -0.00 0.00 0.77 0.00 0.00 66.41 65.16 2qz8 h THR 127 Cb 0.06 2.57 -0.01 0.00 -1.74 0.00 0.00 68.15 69.04 2qz8 h THR 127 CO -0.04 0.68 0.05 0.74 0.37 0.00 0.00 175.52 177.33 2qz8 h THR 128 N 0.18 1.12 -0.16 3.16 2.02 -1.11 -3.24 112.91 114.87 2qz8 h THR 128 Ca -0.13 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.72 2qz8 h THR 128 Cb 1.64 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 69.18 2qz8 h THR 128 CO 0.19 0.10 0.00 0.00 0.37 0.00 0.00 175.52 176.18 2qz8 n ALA 129 N -2.19 2.42 -3.44 6.16 0.00 -0.86 -4.98 120.51 117.62 2qz8 n ALA 129 Ca -0.05 -0.80 -0.19 0.00 0.00 0.00 0.00 53.44 52.40 2qz8 n ALA 129 Cb 0.09 -0.61 0.04 0.00 0.00 0.00 0.00 19.45 18.96 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 1.01 -6.20 -4.27 0.00 2.85 0.23 -4.83 115.26 104.05 2qz8 n ASN 130 Ca 0.12 -0.71 -0.14 0.00 -0.11 0.00 0.00 54.58 53.74 2qz8 n ASN 130 Cb 0.46 -4.09 -0.10 0.00 1.24 0.00 0.00 39.78 37.28 2qz8 n ASN 130 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 2qz8 s VAL 131 N -3.28 0.63 0.44 3.44 -7.23 -0.93 -1.74 120.40 111.73 2qz8 s VAL 131 Ca 0.31 -1.99 0.08 0.00 -1.81 0.00 0.00 61.98 58.57 2qz8 s VAL 131 Cb -0.08 -2.29 0.02 0.00 0.56 0.00 0.00 36.38 34.58 2qz8 s VAL 131 CO 0.81 -0.31 0.60 0.00 -0.31 0.00 0.00 175.10 175.89 2qz8 s ARG 132 N -3.96 2.77 -0.10 4.82 1.70 -0.14 -4.47 118.95 119.58 2qz8 s ARG 132 Ca 0.29 -1.26 -0.06 0.00 -0.47 0.00 0.00 55.73 54.23 2qz8 s ARG 132 Cb 0.07 -2.74 0.04 0.00 -0.57 0.00 0.00 34.95 31.74 2qz8 s ARG 132 CO 0.07 -0.34 0.24 -0.08 -1.08 0.00 0.00 175.30 174.10 2qz8 s THR 133 N -2.40 -0.03 -0.12 4.99 -1.32 -1.26 -2.33 115.64 113.17 2qz8 s THR 133 Ca 0.56 0.10 -0.02 0.00 -1.21 0.00 0.00 61.69 61.12 2qz8 s THR 133 Cb -0.10 -0.36 0.04 0.00 -1.51 0.00 0.00 72.50 70.58 2qz8 s THR 133 CO 0.34 0.04 0.01 -0.60 -2.21 0.00 0.00 174.62 172.20 2qz8 s ARG 134 N 0.87 0.70 -0.13 7.08 3.52 -0.13 -4.99 118.95 125.87 2qz8 s ARG 134 Ca -0.06 -0.12 -0.06 0.00 -0.13 0.00 0.00 55.73 55.36 2qz8 s ARG 134 Cb -0.07 -1.46 -0.04 0.00 -1.56 0.00 0.00 34.95 31.82 2qz8 s ARG 134 CO -0.05 -0.43 0.08 -1.12 -0.81 0.00 0.00 175.30 172.97 2qz8 s SER 135 N 1.91 5.86 -0.35 -2.12 0.01 -1.26 -0.96 113.70 116.79 2qz8 s SER 135 Ca 0.03 0.26 -0.01 0.00 1.31 0.00 0.00 55.95 57.54 2qz8 s SER 135 Cb -0.14 -1.88 0.09 0.00 0.21 0.00 0.00 66.02 64.30 2qz8 s SER 135 CO -0.07 0.32 0.08 -0.89 0.41 0.00 0.00 173.24 173.10 2qz8 s THR 136 N -0.52 2.89 0.16 1.44 2.01 0.19 -4.97 115.64 116.84 2qz8 s THR 136 Ca 0.11 -1.88 -0.30 0.00 0.31 0.00 0.00 61.69 59.92 2qz8 s THR 136 Cb -0.12 -2.89 -0.08 0.00 0.01 0.00 0.00 72.50 69.42 2qz8 s THR 136 CO 0.02 -0.44 1.21 -0.63 -0.69 0.00 0.00 174.62 174.09 2qz8 s ILE 137 N 1.12 3.61 -0.05 1.82 1.01 -1.26 -0.42 121.20 127.03 2qz8 s ILE 137 Ca 0.03 1.30 -0.26 0.00 0.00 0.00 0.00 60.65 61.73 2qz8 s ILE 137 Cb -0.21 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 2qz8 s ILE 137 CO -0.04 0.18 0.80 -0.63 0.00 0.00 0.00 174.94 175.26 2qz8 s ILE 138 N 0.21 4.98 -0.14 2.92 1.01 -0.46 -4.93 121.20 124.79 2qz8 s ILE 138 Ca 0.55 1.67 0.09 0.00 0.00 0.00 0.00 60.65 62.96 2qz8 s ILE 138 Cb -0.33 -4.14 -0.23 0.00 0.01 0.00 0.00 42.46 37.77 2qz8 s ILE 138 CO 0.35 0.21 0.30 0.18 0.00 0.00 0.00 174.94 175.99 2qz8 n LEU 139 N 3.86 1.21 -3.62 2.97 4.77 -1.26 -4.56 117.00 120.36 2qz8 n LEU 139 Ca 0.01 0.17 -0.15 0.00 -0.03 0.00 0.00 56.01 56.02 2qz8 n LEU 139 Cb 0.51 -0.10 -0.07 0.00 -2.33 0.00 0.00 43.42 41.43 2qz8 n LEU 139 CO 0.49 0.58 0.35 0.21 -1.33 0.00 0.00 177.39 177.69 2qz8 s ASN 140 N -6.13 -0.64 -0.25 -1.43 2.47 -1.26 -5.12 114.94 102.59 2qz8 s ASN 140 Ca -0.14 1.05 -0.05 0.00 0.42 0.00 0.00 52.86 54.15 2qz8 s ASN 140 Cb 0.07 1.03 0.00 0.00 -1.45 0.00 0.00 41.25 40.90 2qz8 s ASN 140 CO 0.79 -0.35 0.01 0.28 -3.72 0.00 0.00 177.10 174.10 2qz8 s THR 141 N -0.21 3.57 -0.02 -5.21 -1.32 -1.26 -4.98 115.64 106.20 2qz8 s THR 141 Ca -0.04 -0.63 -0.15 0.00 -1.21 0.00 0.00 61.69 59.66 2qz8 s THR 141 Cb -0.03 -2.74 -0.33 0.00 -1.51 0.00 0.00 72.50 67.89 2qz8 s THR 141 CO 0.04 0.25 0.82 -0.26 -2.21 0.00 0.00 174.62 173.27 2qz8 h PHE 142 N 8.15 0.80 -3.09 9.09 0.04 -2.06 -3.47 116.94 126.40 2qz8 h PHE 142 Ca -0.36 -0.58 -0.06 0.00 2.80 0.00 0.00 57.97 59.76 2qz8 h PHE 142 Cb 1.14 -0.03 -0.15 0.00 2.20 0.00 0.00 35.95 39.11 2qz8 h PHE 142 CO 0.60 1.58 -0.04 1.52 -0.60 0.00 0.00 178.31 181.38 2qz8 s TYR 143 N -2.56 -0.30 0.24 -0.55 -0.85 -1.26 -5.19 117.35 106.88 2qz8 s TYR 143 Ca -0.13 0.17 -0.16 0.00 -0.52 0.00 0.00 57.07 56.43 2qz8 s TYR 143 Cb 0.04 0.28 0.01 0.00 0.38 0.00 0.00 41.96 42.67 2qz8 s TYR 143 CO 0.89 -0.65 0.55 -1.54 -1.52 0.00 0.00 175.55 173.28 2qz8 s SER 144 N -2.32 -0.18 -1.59 -0.18 1.04 -1.26 -4.97 113.70 104.24 2qz8 s SER 144 Ca -0.02 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.68 2qz8 s SER 144 Cb 0.00 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.75 2qz8 s SER 144 CO -0.06 -1.18 0.00 0.47 0.98 0.00 0.00 173.24 173.45 2qz8 n ASP 145 N -0.39 -4.99 -4.44 7.02 9.92 -1.26 -4.92 116.55 117.48 2qz8 n ASP 145 Ca -0.04 0.16 -0.43 0.00 -0.53 0.00 0.00 54.79 53.94 2qz8 n ASP 145 Cb 0.61 -4.26 -0.04 0.00 -0.64 0.00 0.00 41.12 36.80 2qz8 n ASP 145 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2qz8 s ARG 146 N -4.65 3.21 -0.06 -1.24 0.52 -1.26 -5.02 118.95 110.45 2qz8 s ARG 146 Ca 0.00 -1.10 -0.20 0.00 -0.52 0.00 0.00 55.73 53.92 2qz8 s ARG 146 Cb 0.00 -4.39 -0.05 0.00 0.52 0.00 0.00 34.95 31.03 2qz8 s ARG 146 CO 0.00 -1.78 0.55 -0.65 0.02 0.00 0.00 175.30 173.45 2qz8 s GLN 147 N 3.60 4.33 -0.34 3.54 -0.21 -1.26 -5.04 119.66 124.27 2qz8 s GLN 147 Ca 0.23 0.62 -0.11 0.00 0.02 0.00 0.00 55.36 56.12 2qz8 s GLN 147 Cb -0.15 -3.40 0.01 0.00 1.00 0.00 0.00 33.01 30.47 2qz8 s GLN 147 CO 0.05 0.24 0.19 -1.58 -2.12 0.00 0.00 175.29 172.08 2qz8 s HIS 148 N 0.29 3.21 -0.46 0.91 5.65 -1.26 -5.06 115.29 118.58 2qz8 s HIS 148 Ca 0.30 -0.65 -0.19 0.00 0.25 0.00 0.00 55.06 54.77 2qz8 s HIS 148 Cb -0.17 -2.42 0.04 0.00 -1.18 0.00 0.00 32.58 28.85 2qz8 s HIS 148 CO 0.14 -0.52 0.57 0.42 -0.65 0.00 0.00 174.74 174.71 2qz8 s ILE 149 N 1.61 4.93 -2.00 0.89 -1.09 -1.26 -5.20 121.20 119.08 2qz8 s ILE 149 Ca 0.04 -0.27 0.17 0.00 -2.23 0.00 0.00 60.65 58.36 2qz8 s ILE 149 Cb -0.18 -4.19 0.48 0.00 -1.58 0.00 0.00 42.46 36.99 2qz8 s ILE 149 CO 0.07 -0.62 1.41 -2.65 -1.23 0.00 0.00 174.94 171.92