#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qpq s LEU 3 N 0.00 3.77 0.66 0.99 1.43 -1.26 -5.05 118.68 119.22 1qpq s LEU 3 Ca 0.00 1.85 0.02 0.00 -1.03 0.00 0.00 54.13 54.97 1qpq s LEU 3 Cb 0.00 -4.55 0.10 0.00 0.03 0.00 0.00 46.19 41.78 1qpq s LEU 3 CO 0.00 -0.79 0.91 -0.94 0.23 0.00 0.00 176.35 175.76 1qpq s SER 4 N -2.25 4.67 0.28 2.29 1.04 -1.26 -4.83 113.70 113.64 1qpq s SER 4 Ca 0.65 -0.47 -0.03 0.00 0.48 0.00 0.00 55.95 56.59 1qpq s SER 4 Cb -0.15 -0.02 0.38 0.00 0.10 0.00 0.00 66.02 66.33 1qpq s SER 4 CO 0.23 -1.63 1.92 0.44 0.98 0.00 0.00 173.24 175.18 1qpq h ASP 5 N -0.25 0.97 -0.07 7.02 3.32 -1.98 0.55 116.42 125.98 1qpq h ASP 5 Ca -0.35 -0.06 -0.13 0.00 0.02 0.00 0.00 57.03 56.50 1qpq h ASP 5 Cb 1.28 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 40.59 1qpq h ASP 5 CO 0.41 0.76 -0.47 -0.25 -1.72 0.00 0.00 179.24 177.97 1qpq h TRP 6 N 1.10 0.62 -0.36 4.55 -0.00 -1.99 -1.97 115.95 117.90 1qpq h TRP 6 Ca 0.28 -0.28 -0.10 0.00 -0.00 0.00 0.00 58.89 58.79 1qpq h TRP 6 Cb -0.02 -0.09 -0.02 0.00 -0.00 0.00 0.00 29.16 29.04 1qpq h TRP 6 CO 0.01 1.06 -0.20 0.93 -0.00 0.00 0.00 178.44 180.24 1qpq h GLU 7 N -0.00 0.69 -0.01 2.65 5.08 -1.86 -1.20 114.58 119.93 1qpq h GLU 7 Ca -0.04 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1qpq h GLU 7 Cb 1.14 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 1qpq h GLU 7 CO 0.10 0.84 0.01 1.25 -1.00 0.00 0.00 179.01 180.20 1qpq h LEU 8 N 0.62 0.01 -1.04 1.33 5.85 0.10 0.33 115.31 122.51 1qpq h LEU 8 Ca 0.09 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 1qpq h LEU 8 Cb 0.67 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 1qpq h LEU 8 CO 0.05 0.12 0.15 0.00 -0.34 0.00 0.00 178.44 178.42 1qpq h ALA 9 N 0.89 1.23 -0.27 1.25 0.00 -1.23 -0.11 119.26 121.02 1qpq h ALA 9 Ca 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1qpq h ALA 9 Cb 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1qpq h ALA 9 CO -0.00 0.54 0.02 0.00 0.00 0.00 0.00 179.25 179.81 1qpq h ALA 10 N 1.35 0.36 -0.07 0.00 0.00 -0.86 -1.41 119.26 118.64 1qpq h ALA 10 Ca 0.18 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1qpq h ALA 10 Cb 0.27 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1qpq h ALA 10 CO -0.00 0.07 -0.11 0.00 0.00 0.00 0.00 179.25 179.21 1qpq h ALA 11 N 0.84 -0.06 -0.83 0.00 0.00 0.19 0.87 119.26 120.27 1qpq h ALA 11 Ca 0.08 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1qpq h ALA 11 Cb 0.38 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1qpq h ALA 11 CO 0.01 -0.58 0.55 0.00 0.00 0.00 0.00 179.25 179.23 1qpq h ARG 12 N -0.15 1.08 -0.54 0.00 3.08 -0.94 0.14 114.38 117.04 1qpq h ARG 12 Ca 0.06 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 1qpq h ARG 12 Cb 0.24 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1qpq h ARG 12 CO -0.16 0.71 -0.02 0.00 -1.07 0.00 0.00 179.97 179.43 1qpq h ALA 13 N 1.49 0.72 0.02 0.04 0.00 -0.57 -0.33 119.26 120.64 1qpq h ALA 13 Ca 0.31 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qpq h ALA 13 Cb -0.10 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1qpq h ALA 13 CO -0.07 0.57 -0.01 0.00 0.00 0.00 0.00 179.25 179.73 1qpq h ALA 14 N 0.94 -0.03 -0.72 0.00 0.00 0.49 -1.62 119.26 118.32 1qpq h ALA 14 Ca 0.15 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1qpq h ALA 14 Cb 0.56 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1qpq h ALA 14 CO 0.03 -0.35 0.48 -0.84 0.00 0.00 0.00 179.25 178.56 1qpq h ILE 15 N -0.36 1.15 -0.79 0.00 -0.00 -0.72 0.19 117.51 116.99 1qpq h ILE 15 Ca -0.00 -0.32 -0.04 0.00 -0.00 0.00 0.00 64.86 64.50 1qpq h ILE 15 Cb 0.34 0.14 -0.04 0.00 -0.00 0.00 0.00 36.82 37.26 1qpq h ILE 15 CO 0.00 0.17 0.35 0.00 -0.00 0.00 0.00 178.15 178.67 1qpq h ALA 16 N 1.56 1.03 -0.41 0.16 0.00 -0.89 -0.84 119.26 119.87 1qpq h ALA 16 Ca 0.27 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1qpq h ALA 16 Cb -0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1qpq h ALA 16 CO -0.07 0.62 -0.35 0.00 0.00 0.00 0.00 179.25 179.46 1qpq h ARG 17 N 1.14 0.96 0.32 0.00 3.08 -0.09 -2.60 114.38 117.19 1qpq h ARG 17 Ca 0.27 -0.48 -0.00 0.00 0.07 0.00 0.00 59.98 59.83 1qpq h ARG 17 Cb 0.17 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1qpq h ARG 17 CO -0.03 1.15 -0.28 0.78 -1.07 0.00 0.00 179.97 180.51 1qpq h GLY 18 N 0.80 -0.67 0.90 0.04 0.00 -0.17 -1.97 103.07 102.00 1qpq h GLY 18 Ca 0.07 0.32 0.03 0.00 0.00 0.00 0.00 47.33 47.76 1qpq h GLY 18 CO 0.09 -0.26 0.59 1.41 0.00 0.00 0.00 176.54 178.37 1qpq h LEU 19 N -0.62 0.98 -1.41 3.11 3.38 -1.23 -1.72 115.31 117.79 1qpq h LEU 19 Ca -0.02 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1qpq h LEU 19 Cb 0.56 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1qpq h LEU 19 CO -0.04 0.68 -0.02 -0.78 0.09 0.00 0.00 178.44 178.37 1qpq h ASP 20 N 1.15 0.33 -0.56 -0.43 3.58 -1.31 -0.32 116.42 118.86 1qpq h ASP 20 Ca 0.35 -0.05 -0.08 0.00 0.42 0.00 0.00 57.03 57.67 1qpq h ASP 20 Cb -0.02 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 40.92 1qpq h ASP 20 CO -0.11 0.41 0.05 -0.33 -2.88 0.00 0.00 179.24 176.38 1qpq h GLU 21 N 0.35 0.96 -0.28 0.28 5.08 -0.53 -0.47 114.58 119.97 1qpq h GLU 21 Ca 0.08 -0.28 -0.14 0.00 -1.00 0.00 0.00 59.36 58.02 1qpq h GLU 21 Cb 0.27 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1qpq h GLU 21 CO 0.01 0.94 -0.38 -0.44 -1.00 0.00 0.00 179.01 178.14 1qpq h ASP 22 N 0.85 0.69 0.04 1.42 3.32 -0.91 -3.30 116.42 118.54 1qpq h ASP 22 Ca 0.17 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1qpq h ASP 22 Cb 0.47 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1qpq h ASP 22 CO 0.02 1.00 -0.51 0.18 -1.72 0.00 0.00 179.24 178.21 1qpq n LEU 23 N -4.04 1.70 -0.10 1.55 4.77 -0.21 -4.47 117.00 116.20 1qpq n LEU 23 Ca -0.02 -0.62 0.22 0.00 -0.03 0.00 0.00 56.01 55.56 1qpq n LEU 23 Cb 0.51 -0.03 0.65 0.00 -2.33 0.00 0.00 43.42 42.23 1qpq n LEU 23 CO 0.46 0.33 1.21 -0.09 -1.33 0.00 0.00 177.39 177.97 1qpq h ARG 24 N 1.87 0.11 -0.01 3.23 2.43 -1.15 -1.94 114.38 118.92 1qpq h ARG 24 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1qpq h ARG 24 Cb 0.68 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1qpq h ARG 24 CO 0.00 0.07 -0.57 0.66 -1.51 0.00 0.00 179.97 178.62 1qpq n TYR 25 N -4.38 0.00 0.00 2.20 4.01 -1.26 -5.05 117.16 112.68 1qpq n TYR 25 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 1qpq n TYR 25 Cb 0.70 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.66 1qpq n TYR 25 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qpq n GLY 26 N 1.44 1.27 3.81 2.72 0.00 -0.73 -5.13 105.19 108.57 1qpq n GLY 26 Ca 0.08 -1.67 -0.29 0.00 0.00 0.00 0.00 46.02 44.13 1qpq n GLY 26 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qpq s PRO 27 N -1.57 0.71 -1.25 1.61 0.04 -1.26 -4.54 135.00 128.74 1qpq s PRO 27 Ca 0.00 0.00 -0.20 0.00 0.04 0.00 0.00 61.00 60.85 1qpq s PRO 27 Cb 0.00 -1.81 -0.00 0.00 0.04 0.00 0.00 34.50 32.72 1qpq s PRO 27 CO 0.00 -2.44 1.84 -3.47 0.04 0.00 0.00 177.00 172.98 1qpq n ASP 28 N -3.87 4.08 -0.31 6.66 -0.08 -1.26 -4.78 116.55 116.98 1qpq n ASP 28 Ca 0.10 -2.82 0.07 0.00 -1.51 0.00 0.00 54.79 50.63 1qpq n ASP 28 Cb 0.60 -1.72 0.22 0.00 2.34 0.00 0.00 41.12 42.55 1qpq n ASP 28 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 1qpq h VAL 29 N 5.71 0.81 -0.27 5.18 3.04 -1.99 -2.23 116.25 126.49 1qpq h VAL 29 Ca 0.36 -0.26 -0.08 0.00 -1.01 0.00 0.00 66.70 65.71 1qpq h VAL 29 Cb 0.88 -0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 30.14 1qpq h VAL 29 CO 1.40 0.14 -0.18 0.00 -1.01 0.00 0.00 177.57 177.92 1qpq h THR 30 N 0.75 1.24 0.00 3.17 1.03 -1.99 -0.59 112.91 116.52 1qpq h THR 30 Ca 0.47 -1.11 -0.19 0.00 -0.01 0.00 0.00 66.41 65.56 1qpq h THR 30 Cb 0.58 1.23 -0.03 0.00 -1.07 0.00 0.00 68.15 68.85 1qpq h THR 30 CO -0.32 0.36 -1.08 0.71 -0.01 0.00 0.00 175.52 175.18 1qpq h THR 31 N 0.44 1.13 -0.61 0.00 1.35 -1.87 -2.73 112.91 110.62 1qpq h THR 31 Ca 0.07 -2.74 -0.09 0.00 -0.55 0.00 0.00 66.41 63.10 1qpq h THR 31 Cb 0.56 2.52 -0.02 0.00 -1.73 0.00 0.00 68.15 69.48 1qpq h THR 31 CO 0.04 0.64 0.03 -0.07 -0.25 0.00 0.00 175.52 175.91 1qpq h LEU 32 N 0.00 1.02 -0.43 3.87 4.07 -1.21 0.81 115.31 123.43 1qpq h LEU 32 Ca -0.09 -0.27 -0.03 0.00 0.08 0.00 0.00 57.88 57.57 1qpq h LEU 32 Cb 1.69 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 43.16 1qpq h LEU 32 CO 0.09 1.05 -0.13 0.00 -1.08 0.00 0.00 178.44 178.38 1qpq h ALA 33 N 1.05 0.94 0.00 1.53 0.00 -1.13 -3.38 119.26 118.28 1qpq h ALA 33 Ca 0.18 -0.11 -0.23 0.00 0.00 0.00 0.00 54.91 54.75 1qpq h ALA 33 Cb 0.52 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1qpq h ALA 33 CO 0.02 0.16 -1.87 0.25 0.00 0.00 0.00 179.25 177.81 1qpq n THR 34 N -3.16 0.85 -5.09 0.00 -2.24 -1.03 -4.99 114.28 98.62 1qpq n THR 34 Ca 0.02 -0.54 -0.31 0.00 -2.27 0.00 0.00 64.05 60.95 1qpq n THR 34 Cb 0.51 -0.63 -0.17 0.00 -2.10 0.00 0.00 70.33 67.94 1qpq n THR 34 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1qpq s VAL 35 N -2.33 1.98 0.59 2.28 0.11 0.26 -5.08 120.40 118.20 1qpq s VAL 35 Ca -0.06 -0.97 -0.17 0.00 -2.93 0.00 0.00 61.98 57.85 1qpq s VAL 35 Cb 0.04 -1.72 -0.03 0.00 -1.53 0.00 0.00 36.38 33.14 1qpq s VAL 35 CO 0.53 0.54 1.09 -2.16 -3.33 0.00 0.00 175.10 171.77 1qpq s PRO 36 N 0.44 3.19 0.44 1.54 0.04 -1.26 -4.62 135.00 134.77 1qpq s PRO 36 Ca -0.17 1.40 0.15 0.00 0.04 0.00 0.00 61.00 62.41 1qpq s PRO 36 Cb -0.17 -2.00 1.05 0.00 0.04 0.00 0.00 34.50 33.42 1qpq s PRO 36 CO 0.07 -0.94 1.97 0.00 0.04 0.00 0.00 177.00 178.14 1qpq h ALA 37 N 0.61 2.06 0.00 8.56 0.00 -1.95 -0.52 119.26 128.02 1qpq h ALA 37 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1qpq h ALA 37 Cb 1.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1qpq h ALA 37 CO 0.56 -0.20 0.00 -1.13 0.00 0.00 0.00 179.25 178.48 1qpq n SER 38 N -4.47 0.10 -4.75 0.00 3.41 -1.26 -4.88 113.62 101.77 1qpq n SER 38 Ca 0.10 0.51 -0.38 0.00 -0.26 0.00 0.00 58.87 58.85 1qpq n SER 38 Cb 0.41 -0.54 0.03 0.00 -0.26 0.00 0.00 64.21 63.85 1qpq n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qpq s ALA 39 N -3.02 2.85 -0.11 7.33 0.00 -0.20 -4.96 121.76 123.65 1qpq s ALA 39 Ca 0.12 1.27 -0.10 0.00 0.00 0.00 0.00 51.96 53.25 1qpq s ALA 39 Cb 0.16 -3.54 0.03 0.00 0.00 0.00 0.00 23.12 19.77 1qpq s ALA 39 CO 0.47 -1.26 0.29 0.99 0.00 0.00 0.00 175.76 176.25 1qpq s THR 40 N -1.34 0.00 0.26 0.00 2.01 -1.26 -1.37 115.64 113.93 1qpq s THR 40 Ca 0.70 -0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.71 1qpq s THR 40 Cb -0.39 -0.40 -0.03 0.00 0.01 0.00 0.00 72.50 71.69 1qpq s THR 40 CO 0.46 -0.00 0.24 0.42 -0.69 0.00 0.00 174.62 175.04 1qpq s THR 41 N 0.15 0.00 -0.13 -0.82 -4.23 -0.23 -4.82 115.64 105.57 1qpq s THR 41 Ca -0.00 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 1qpq s THR 41 Cb -0.02 -2.49 -0.02 0.00 1.34 0.00 0.00 72.50 71.32 1qpq s THR 41 CO 0.00 0.00 -0.13 -0.89 -0.54 0.00 0.00 174.62 173.06 1qpq s THR 42 N -3.82 3.04 0.09 3.99 2.01 -1.25 -0.72 115.64 118.97 1qpq s THR 42 Ca 0.37 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.73 1qpq s THR 42 Cb 0.04 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 1qpq s THR 42 CO 0.17 0.53 -0.07 0.00 -0.69 0.00 0.00 174.62 174.56 1qpq s ALA 43 N 0.29 0.90 0.01 7.40 0.00 0.32 -4.71 121.76 125.96 1qpq s ALA 43 Ca -0.10 -1.20 0.04 0.00 0.00 0.00 0.00 51.96 50.70 1qpq s ALA 43 Cb -0.16 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 1qpq s ALA 43 CO 0.06 -0.17 -0.12 -1.12 0.00 0.00 0.00 175.76 174.40 1qpq s SER 44 N -2.66 1.44 -0.43 0.00 0.01 0.46 -1.35 113.70 111.16 1qpq s SER 44 Ca 0.06 -0.29 -0.22 0.00 1.31 0.00 0.00 55.95 56.81 1qpq s SER 44 Cb 0.01 -0.13 0.02 0.00 0.21 0.00 0.00 66.02 66.13 1qpq s SER 44 CO -0.03 0.10 0.72 -0.76 0.41 0.00 0.00 173.24 173.68 1qpq s LEU 45 N -0.56 4.34 -0.05 2.44 2.01 0.22 -0.02 118.68 127.06 1qpq s LEU 45 Ca 0.03 -0.15 0.05 0.00 0.01 0.00 0.00 54.13 54.07 1qpq s LEU 45 Cb -0.06 -2.87 -0.00 0.00 0.01 0.00 0.00 46.19 43.27 1qpq s LEU 45 CO 0.00 -0.83 -0.19 0.68 1.01 0.00 0.00 176.35 177.02 1qpq s VAL 46 N 3.06 1.60 0.41 -1.59 -7.23 0.37 0.18 120.40 117.19 1qpq s VAL 46 Ca 0.27 -0.81 -0.25 0.00 -1.81 0.00 0.00 61.98 59.38 1qpq s VAL 46 Cb -0.13 -1.37 -0.08 0.00 0.56 0.00 0.00 36.38 35.36 1qpq s VAL 46 CO 0.20 0.45 1.14 0.42 -0.31 0.00 0.00 175.10 177.01 1qpq s THR 47 N -0.00 3.29 -1.88 5.32 -4.23 -0.40 -0.68 115.64 117.06 1qpq s THR 47 Ca -0.04 1.04 0.24 0.00 -1.18 0.00 0.00 61.69 61.75 1qpq s THR 47 Cb -0.12 -3.56 0.08 0.00 1.34 0.00 0.00 72.50 70.24 1qpq s THR 47 CO 0.03 0.06 1.26 0.54 -0.54 0.00 0.00 174.62 175.97 1qpq n ARG 48 N -0.05 1.01 -3.97 3.99 3.00 0.82 -3.84 116.66 117.62 1qpq n ARG 48 Ca 0.05 -0.76 -0.09 0.00 -0.01 0.00 0.00 57.85 57.04 1qpq n ARG 48 Cb 0.47 -1.48 -0.05 0.00 0.00 0.00 0.00 32.46 31.40 1qpq n ARG 48 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1qpq s GLU 49 N -2.52 1.53 0.46 5.56 -1.05 -1.24 -4.82 118.70 116.63 1qpq s GLU 49 Ca 0.20 -1.21 -0.12 0.00 -0.15 0.00 0.00 54.97 53.69 1qpq s GLU 49 Cb 0.18 0.48 -0.06 0.00 -0.44 0.00 0.00 34.13 34.29 1qpq s GLU 49 CO 0.57 -0.64 0.86 0.00 0.95 0.00 0.00 175.26 177.00 1qpq s ALA 50 N -4.00 3.25 0.00 -0.84 0.00 -1.26 -4.02 121.76 114.88 1qpq s ALA 50 Ca 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.07 1qpq s ALA 50 Cb -0.01 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.26 1qpq s ALA 50 CO 0.08 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.09 1qpq n GLY 51 N -1.58 -1.09 3.54 0.00 0.00 -0.43 -4.97 105.19 100.67 1qpq n GLY 51 Ca 0.04 -1.10 -0.34 0.00 0.00 0.00 0.00 46.02 44.62 1qpq n GLY 51 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qpq s VAL 52 N -3.00 3.73 -0.04 1.61 1.01 -1.26 0.72 120.40 123.17 1qpq s VAL 52 Ca 0.00 -0.44 -0.14 0.00 0.00 0.00 0.00 61.98 61.39 1qpq s VAL 52 Cb 0.00 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 1qpq s VAL 52 CO 0.00 0.56 0.38 0.54 0.00 0.00 0.00 175.10 176.57 1qpq s VAL 53 N -0.32 5.12 -0.08 2.92 0.11 -0.63 -4.30 120.40 123.22 1qpq s VAL 53 Ca 0.05 0.76 -0.16 0.00 -2.93 0.00 0.00 61.98 59.70 1qpq s VAL 53 Cb -0.13 -3.69 0.04 0.00 -1.53 0.00 0.00 36.38 31.08 1qpq s VAL 53 CO 0.02 0.53 0.39 0.00 -3.33 0.00 0.00 175.10 172.72 1qpq s ALA 54 N -0.70 -0.99 0.00 1.54 0.00 -1.26 0.63 121.76 120.98 1qpq s ALA 54 Ca 0.22 0.82 0.00 0.00 0.00 0.00 0.00 51.96 53.00 1qpq s ALA 54 Cb -0.16 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.67 1qpq s ALA 54 CO 0.11 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.04 1qpq n GLY 55 N 1.99 0.76 0.25 0.00 0.00 -1.26 -3.86 105.19 103.08 1qpq n GLY 55 Ca -0.17 -0.26 0.05 0.00 0.00 0.00 0.00 46.02 45.64 1qpq n GLY 55 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qpq h LEU 56 N 0.00 0.10 -1.08 0.99 4.07 -1.94 -0.88 115.31 116.58 1qpq h LEU 56 Ca 0.00 -0.01 -0.07 0.00 0.08 0.00 0.00 57.88 57.88 1qpq h LEU 56 Cb 0.00 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 41.70 1qpq h LEU 56 CO 0.00 0.19 -0.09 0.44 -1.08 0.00 0.00 178.44 177.91 1qpq h ASP 57 N 0.11 0.53 0.15 -0.43 3.32 -1.98 -1.42 116.42 116.70 1qpq h ASP 57 Ca 0.03 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 1qpq h ASP 57 Cb 0.20 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 1qpq h ASP 57 CO 0.01 0.66 -0.07 0.58 -1.72 0.00 0.00 179.24 178.70 1qpq h VAL 58 N 0.51 0.67 0.04 -1.35 2.07 -1.56 0.06 116.25 116.68 1qpq h VAL 58 Ca 0.10 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1qpq h VAL 58 Cb 0.47 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1qpq h VAL 58 CO 0.03 0.07 -0.02 0.00 0.02 0.00 0.00 177.57 177.66 1qpq h ALA 59 N 1.93 -0.05 -0.67 1.67 0.00 -1.21 -2.03 119.26 118.91 1qpq h ALA 59 Ca -0.00 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.71 1qpq h ALA 59 Cb 0.16 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1qpq h ALA 59 CO 0.01 -0.27 0.38 -0.07 0.00 0.00 0.00 179.25 179.30 1qpq h LEU 60 N -0.57 0.59 -1.74 0.00 -0.00 -1.09 -2.16 115.31 110.34 1qpq h LEU 60 Ca -0.01 0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1qpq h LEU 60 Cb 0.51 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.06 1qpq h LEU 60 CO 0.01 0.39 0.14 -0.07 -0.00 0.00 0.00 178.44 178.91 1qpq h LEU 61 N 0.72 0.27 -0.48 1.67 3.38 -0.90 -0.80 115.31 119.17 1qpq h LEU 61 Ca 0.29 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 58.10 1qpq h LEU 61 Cb 0.14 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1qpq h LEU 61 CO -0.16 0.21 -0.33 0.74 0.09 0.00 0.00 178.44 178.99 1qpq h THR 62 N 0.32 1.27 -0.08 0.22 2.02 -0.73 -2.26 112.91 113.68 1qpq h THR 62 Ca 0.09 -1.50 -0.01 0.00 0.77 0.00 0.00 66.41 65.75 1qpq h THR 62 Cb -0.01 1.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1qpq h THR 62 CO -0.02 0.50 -0.01 -0.07 0.37 0.00 0.00 175.52 176.30 1qpq h LEU 63 N 0.75 0.14 -0.76 2.58 4.07 -0.91 -0.76 115.31 120.42 1qpq h LEU 63 Ca 0.07 -0.34 0.17 0.00 0.08 0.00 0.00 57.88 57.86 1qpq h LEU 63 Cb 0.91 -0.04 -0.12 0.00 1.08 0.00 0.00 40.66 42.49 1qpq h LEU 63 CO 0.08 0.45 0.17 0.78 -1.08 0.00 0.00 178.44 178.85 1qpq h ASN 64 N -0.17 -0.01 -0.51 -0.43 2.35 -1.13 1.22 115.58 116.90 1qpq h ASN 64 Ca 0.02 0.16 -0.09 0.00 -0.55 0.00 0.00 56.30 55.84 1qpq h ASN 64 Cb 0.38 0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.95 1qpq h ASN 64 CO 0.01 -0.06 -0.01 -0.08 -1.65 0.00 0.00 177.43 175.63 1qpq h GLU 65 N 0.25 0.96 0.03 0.81 4.57 -1.15 -1.47 114.58 118.58 1qpq h GLU 65 Ca 0.44 -0.29 -0.25 0.00 -1.18 0.00 0.00 59.36 58.08 1qpq h GLU 65 Cb 0.77 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.24 1qpq h GLU 65 CO -0.54 0.95 -1.36 0.28 -1.18 0.00 0.00 179.01 177.16 1qpq h VAL 66 N 0.88 0.91 0.00 0.32 2.07 0.10 -3.41 116.25 117.11 1qpq h VAL 66 Ca 0.16 -2.23 0.00 0.00 0.82 0.00 0.00 66.70 65.45 1qpq h VAL 66 Cb 0.53 2.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1qpq h VAL 66 CO 0.03 0.47 -1.22 0.18 0.02 0.00 0.00 177.57 177.04 1qpq n LEU 67 N -4.22 0.72 0.00 2.57 4.77 0.39 -4.99 117.00 116.24 1qpq n LEU 67 Ca -0.31 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 1qpq n LEU 67 Cb 0.76 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.85 1qpq n LEU 67 CO 0.26 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1qpq n GLY 68 N 1.44 -1.87 0.31 -0.72 0.00 -0.55 -3.37 105.19 100.43 1qpq n GLY 68 Ca 0.02 -1.41 0.10 0.00 0.00 0.00 0.00 46.02 44.73 1qpq n GLY 68 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1qpq h THR 69 N 0.00 0.63 -0.48 2.61 2.02 -1.87 0.19 112.91 116.01 1qpq h THR 69 Ca 0.00 -0.19 -0.15 0.00 0.77 0.00 0.00 66.41 66.84 1qpq h THR 69 Cb 0.00 0.03 -0.09 0.00 -1.74 0.00 0.00 68.15 66.35 1qpq h THR 69 CO 0.00 0.10 0.19 0.59 0.37 0.00 0.00 175.52 176.77 1qpq n ASN 70 N -4.93 3.73 -0.41 4.18 3.02 -1.26 -3.98 115.26 115.62 1qpq n ASN 70 Ca 0.20 -2.77 0.11 0.00 -0.03 0.00 0.00 54.58 52.08 1qpq n ASN 70 Cb 0.53 -0.66 -0.02 0.00 -0.61 0.00 0.00 39.78 39.02 1qpq n ASN 70 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qpq n GLY 71 N -0.03 -0.14 3.58 7.41 0.00 0.67 -5.00 105.19 111.68 1qpq n GLY 71 Ca 0.26 -0.63 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 1qpq n GLY 71 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qpq s TYR 72 N -2.53 0.06 -0.03 1.61 -0.85 -1.26 -3.58 117.35 110.77 1qpq s TYR 72 Ca 0.16 -0.43 -0.00 0.00 -0.52 0.00 0.00 57.07 56.28 1qpq s TYR 72 Cb 0.17 0.34 0.03 0.00 0.38 0.00 0.00 41.96 42.88 1qpq s TYR 72 CO 0.61 -0.97 0.01 0.50 -1.52 0.00 0.00 175.55 174.18 1qpq s ARG 73 N -3.93 0.22 -0.50 -3.49 3.52 0.14 -4.97 118.95 109.93 1qpq s ARG 73 Ca 0.14 0.14 -0.20 0.00 -0.13 0.00 0.00 55.73 55.68 1qpq s ARG 73 Cb -0.01 -0.49 0.05 0.00 -1.56 0.00 0.00 34.95 32.93 1qpq s ARG 73 CO 0.03 -0.18 0.68 0.08 -0.81 0.00 0.00 175.30 175.09 1qpq s VAL 74 N 1.28 4.78 0.14 7.11 1.01 -1.26 0.23 120.40 133.69 1qpq s VAL 74 Ca -0.06 -0.20 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 1qpq s VAL 74 Cb -0.13 -4.31 -0.19 0.00 0.00 0.00 0.00 36.38 31.75 1qpq s VAL 74 CO -0.02 -0.80 1.31 -0.07 0.00 0.00 0.00 175.10 175.51 1qpq h LEU 75 N 9.92 0.34 -7.00 3.92 4.07 -1.31 -3.47 115.31 121.77 1qpq h LEU 75 Ca -0.27 -0.29 -0.05 0.00 0.08 0.00 0.00 57.88 57.35 1qpq h LEU 75 Cb 1.09 -0.10 -0.18 0.00 1.08 0.00 0.00 40.66 42.54 1qpq h LEU 75 CO 0.96 1.13 0.20 -0.62 -1.08 0.00 0.00 178.44 179.03 1qpq s ASP 76 N -6.99 -0.65 0.09 -0.43 2.15 -0.44 -4.98 116.67 105.42 1qpq s ASP 76 Ca -0.03 0.63 -0.22 0.00 0.43 0.00 0.00 52.55 53.36 1qpq s ASP 76 Cb 0.09 0.54 0.05 0.00 -0.30 0.00 0.00 42.92 43.31 1qpq s ASP 76 CO 0.85 -0.65 0.52 0.00 -0.17 0.00 0.00 175.17 175.72 1qpq s ARG 77 N -1.50 1.11 0.29 4.34 1.70 -1.26 0.08 118.95 123.71 1qpq s ARG 77 Ca -0.09 -0.36 0.06 0.00 -0.47 0.00 0.00 55.73 54.86 1qpq s ARG 77 Cb -0.00 0.50 -0.02 0.00 -0.57 0.00 0.00 34.95 34.86 1qpq s ARG 77 CO 0.07 -0.43 0.38 0.54 -1.08 0.00 0.00 175.30 174.78 1qpq s VAL 78 N -2.99 4.45 0.22 4.99 0.11 0.10 -4.95 120.40 122.33 1qpq s VAL 78 Ca -0.02 -1.09 -0.10 0.00 -2.93 0.00 0.00 61.98 57.83 1qpq s VAL 78 Cb -0.00 -3.53 -0.07 0.00 -1.53 0.00 0.00 36.38 31.24 1qpq s VAL 78 CO -0.06 -0.24 0.55 -1.61 -3.33 0.00 0.00 175.10 170.41 1qpq s GLU 79 N -4.05 3.83 0.48 1.54 0.41 -1.26 -4.99 118.70 114.67 1qpq s GLU 79 Ca 0.39 0.32 -0.24 0.00 -0.41 0.00 0.00 54.97 55.03 1qpq s GLU 79 Cb -0.09 -2.68 -0.07 0.00 -1.78 0.00 0.00 34.13 29.52 1qpq s GLU 79 CO 0.29 0.33 1.41 -0.51 -0.49 0.00 0.00 175.26 176.29 1qpq s ASP 80 N -2.27 5.66 0.00 -0.19 1.11 -1.26 -2.51 116.67 117.21 1qpq s ASP 80 Ca 0.46 2.88 0.00 0.00 0.18 0.00 0.00 52.55 56.07 1qpq s ASP 80 Cb -0.12 -2.65 0.00 0.00 1.07 0.00 0.00 42.92 41.23 1qpq s ASP 80 CO 0.21 -1.32 0.00 0.61 1.18 0.00 0.00 175.17 175.85 1qpq n GLY 81 N 0.63 0.69 3.73 0.21 0.00 0.21 -5.00 105.19 105.66 1qpq n GLY 81 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1qpq n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qpq s ALA 82 N -2.73 3.28 -0.08 4.61 0.00 -1.04 -4.76 121.76 121.04 1qpq s ALA 82 Ca 0.00 0.61 -0.28 0.00 0.00 0.00 0.00 51.96 52.29 1qpq s ALA 82 Cb 0.00 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 1qpq s ALA 82 CO 0.00 0.01 0.90 1.03 0.00 0.00 0.00 175.76 177.70 1qpq s ARG 83 N -0.29 4.45 -0.01 0.00 1.81 -1.26 -1.61 118.95 122.03 1qpq s ARG 83 Ca 0.46 1.22 0.03 0.00 -1.72 0.00 0.00 55.73 55.73 1qpq s ARG 83 Cb -0.24 -3.50 -0.01 0.00 -0.45 0.00 0.00 34.95 30.75 1qpq s ARG 83 CO 0.31 -0.15 -0.11 0.08 -0.68 0.00 0.00 175.30 174.74 1qpq s VAL 84 N 1.47 0.91 0.70 3.52 1.01 0.22 -4.99 120.40 123.24 1qpq s VAL 84 Ca 0.45 -0.48 -0.09 0.00 0.00 0.00 0.00 61.98 61.86 1qpq s VAL 84 Cb -0.19 -0.77 0.04 0.00 0.00 0.00 0.00 36.38 35.46 1qpq s VAL 84 CO 0.20 0.26 1.05 -2.16 0.00 0.00 0.00 175.10 174.45 1qpq s PRO 85 N -0.19 2.54 0.00 2.72 0.04 -1.26 -1.31 135.00 137.54 1qpq s PRO 85 Ca 0.03 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.18 1qpq s PRO 85 Cb -0.05 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1qpq s PRO 85 CO -0.00 -1.12 0.75 -2.30 0.04 0.00 0.00 177.00 174.37 1qpq n PRO 86 N -2.95 0.00 -0.29 0.56 -0.02 -1.26 -2.37 135.00 128.68 1qpq n PRO 86 Ca 0.07 0.72 -0.02 0.00 -2.02 0.00 0.00 63.50 62.25 1qpq n PRO 86 Cb 0.59 -1.25 0.01 0.00 -0.02 0.00 0.00 33.50 32.82 1qpq n PRO 86 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qpq n GLY 87 N -0.98 2.39 3.76 -1.23 0.00 -1.25 -3.80 105.19 104.08 1qpq n GLY 87 Ca 0.00 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 1qpq n GLY 87 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qpq s GLU 88 N -0.20 4.57 -0.41 1.61 2.56 -1.00 -4.79 118.70 121.04 1qpq s GLU 88 Ca 0.04 1.71 -0.19 0.00 0.00 0.00 0.00 54.97 56.53 1qpq s GLU 88 Cb 0.03 -3.08 0.02 0.00 2.00 0.00 0.00 34.13 33.10 1qpq s GLU 88 CO 0.00 0.18 0.53 0.00 -0.56 0.00 0.00 175.26 175.41 1qpq s ALA 89 N -1.26 3.40 0.14 6.30 0.00 -1.26 -1.27 121.76 127.82 1qpq s ALA 89 Ca 0.47 -1.30 -0.03 0.00 0.00 0.00 0.00 51.96 51.09 1qpq s ALA 89 Cb -0.29 -3.14 -0.06 0.00 0.00 0.00 0.00 23.12 19.63 1qpq s ALA 89 CO 0.38 -1.59 1.34 -0.07 0.00 0.00 0.00 175.76 175.81 1qpq h LEU 90 N 9.31 0.50 -7.00 0.00 3.38 -0.65 -3.44 115.31 117.41 1qpq h LEU 90 Ca -0.26 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.32 1qpq h LEU 90 Cb 1.11 -0.15 -0.22 0.00 0.09 0.00 0.00 40.66 41.49 1qpq h LEU 90 CO 0.83 1.17 0.11 -0.32 0.09 0.00 0.00 178.44 180.32 1qpq s MET 91 N -3.34 0.75 -0.11 1.13 0.00 -1.21 0.00 119.30 116.52 1qpq s MET 91 Ca -0.06 1.06 0.04 0.00 0.00 0.00 0.00 55.69 56.73 1qpq s MET 91 Cb 0.09 0.27 0.00 0.00 0.00 0.00 0.00 34.83 35.20 1qpq s MET 91 CO 0.86 -0.12 -0.23 0.99 0.00 0.00 0.00 175.02 176.52 1qpq s THR 92 N 0.93 2.09 0.20 10.11 2.01 0.11 -0.61 115.64 130.48 1qpq s THR 92 Ca -0.04 -1.00 -0.00 0.00 0.31 0.00 0.00 61.69 60.95 1qpq s THR 92 Cb -0.05 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.61 1qpq s THR 92 CO -0.09 0.56 0.10 -1.48 -0.69 0.00 0.00 174.62 173.02 1qpq s LEU 93 N 0.46 1.45 -0.12 4.42 0.05 -0.46 -0.81 118.68 123.67 1qpq s LEU 93 Ca -0.16 -1.34 0.00 0.00 0.05 0.00 0.00 54.13 52.69 1qpq s LEU 93 Cb -0.17 0.25 0.02 0.00 -2.05 0.00 0.00 46.19 44.24 1qpq s LEU 93 CO 0.06 -0.77 -0.11 -0.70 -0.55 0.00 0.00 176.35 174.28 1qpq s GLU 94 N -4.09 1.85 0.31 1.48 2.12 0.14 -0.52 118.70 119.98 1qpq s GLU 94 Ca 0.35 -0.39 -0.12 0.00 0.36 0.00 0.00 54.97 55.16 1qpq s GLU 94 Cb 0.07 -1.77 0.01 0.00 0.26 0.00 0.00 34.13 32.71 1qpq s GLU 94 CO 0.10 -0.21 0.58 0.00 -0.54 0.00 0.00 175.26 175.19 1qpq s ALA 95 N 1.48 -0.22 0.19 6.30 0.00 0.10 0.26 121.76 129.87 1qpq s ALA 95 Ca 0.02 -0.94 -0.31 0.00 0.00 0.00 0.00 51.96 50.73 1qpq s ALA 95 Cb -0.13 0.97 -0.10 0.00 0.00 0.00 0.00 23.12 23.87 1qpq s ALA 95 CO -0.07 -0.89 1.47 -1.14 0.00 0.00 0.00 175.76 175.12 1qpq s GLN 96 N -3.36 4.27 0.15 0.00 0.74 -1.24 -1.07 119.66 119.15 1qpq s GLN 96 Ca 0.21 2.26 -0.17 0.00 0.05 0.00 0.00 55.36 57.71 1qpq s GLN 96 Cb -0.02 -3.16 0.00 0.00 1.10 0.00 0.00 33.01 30.93 1qpq s GLN 96 CO 0.12 -0.48 1.79 1.15 -0.55 0.00 0.00 175.29 177.32 1qpq h THR 97 N 3.87 1.04 -0.90 -0.34 2.02 -1.54 -2.75 112.91 114.32 1qpq h THR 97 Ca -0.44 -0.14 0.06 0.00 0.77 0.00 0.00 66.41 66.66 1qpq h THR 97 Cb 1.21 0.60 -0.06 0.00 -1.74 0.00 0.00 68.15 68.16 1qpq h THR 97 CO 0.84 0.07 0.57 0.03 0.37 0.00 0.00 175.52 177.40 1qpq h ARG 98 N 0.41 1.00 -0.45 6.66 3.08 -1.84 -1.91 114.38 121.33 1qpq h ARG 98 Ca 0.13 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 1qpq h ARG 98 Cb -0.01 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.80 1qpq h ARG 98 CO -0.06 0.66 0.18 0.78 -1.07 0.00 0.00 179.97 180.47 1qpq h GLY 99 N 1.03 0.72 0.83 0.04 0.00 -1.90 -2.61 103.07 101.19 1qpq h GLY 99 Ca 0.39 -0.39 0.02 0.00 0.00 0.00 0.00 47.33 47.35 1qpq h GLY 99 CO -0.17 0.37 0.01 1.41 0.00 0.00 0.00 176.54 178.16 1qpq h LEU 100 N 0.59 -0.02 -1.82 3.11 3.38 -1.09 -1.41 115.31 118.06 1qpq h LEU 100 Ca 0.15 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1qpq h LEU 100 Cb 0.19 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1qpq h LEU 100 CO -0.01 0.01 -0.15 -0.07 0.09 0.00 0.00 178.44 178.31 1qpq h LEU 101 N 0.07 0.00 0.08 1.67 4.07 -1.26 0.86 115.31 120.79 1qpq h LEU 101 Ca 0.06 0.00 -0.29 0.00 0.08 0.00 0.00 57.88 57.73 1qpq h LEU 101 Cb 0.06 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.78 1qpq h LEU 101 CO -0.09 0.15 -1.47 0.74 -1.08 0.00 0.00 178.44 176.69 1qpq h THR 102 N 0.00 1.20 0.02 0.22 2.02 -1.23 -3.35 112.91 111.79 1qpq h THR 102 Ca -0.00 -2.89 -0.20 0.00 0.77 0.00 0.00 66.41 64.08 1qpq h THR 102 Cb 0.35 2.72 -0.02 0.00 -1.74 0.00 0.00 68.15 69.46 1qpq h THR 102 CO 0.02 0.79 -0.95 0.00 0.37 0.00 0.00 175.52 175.76 1qpq h ALA 103 N 0.66 0.45 -0.24 6.16 0.00 -0.67 -3.42 119.26 122.20 1qpq h ALA 103 Ca -0.21 -0.81 0.02 0.00 0.00 0.00 0.00 54.91 53.92 1qpq h ALA 103 Cb 1.97 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.63 1qpq h ALA 103 CO 0.14 1.05 -0.14 -1.91 0.00 0.00 0.00 179.25 178.38 1qpq n GLU 104 N -3.53 -0.11 -0.20 0.00 2.13 0.24 -1.48 120.64 117.70 1qpq n GLU 104 Ca -0.02 0.80 -0.05 0.00 0.66 0.00 0.00 57.16 58.55 1qpq n GLU 104 Cb 0.87 -1.19 0.05 0.00 0.27 0.00 0.00 31.44 31.45 1qpq n GLU 104 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1qpq h ARG 105 N 0.00 0.66 -0.57 5.31 9.65 -1.82 0.84 114.38 128.44 1qpq h ARG 105 Ca 0.04 -0.04 -0.08 0.00 -1.10 0.00 0.00 59.98 58.80 1qpq h ARG 105 Cb 0.10 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.51 1qpq h ARG 105 CO -0.23 0.43 0.04 1.15 2.80 0.00 0.00 179.97 184.16 1qpq h THR 106 N 0.67 1.25 0.07 0.20 2.02 -1.78 -0.32 112.91 115.03 1qpq h THR 106 Ca 0.23 -1.05 -0.00 0.00 0.77 0.00 0.00 66.41 66.36 1qpq h THR 106 Cb 0.04 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1qpq h THR 106 CO -0.11 0.38 -0.04 -0.03 0.37 0.00 0.00 175.52 176.10 1qpq h MET 107 N 0.89 -0.09 -0.72 6.66 1.85 -0.87 -2.60 114.93 120.05 1qpq h MET 107 Ca 0.17 0.01 0.01 0.00 -0.61 0.00 0.00 59.70 59.28 1qpq h MET 107 Cb 0.47 0.02 -0.04 0.00 0.43 0.00 0.00 31.60 32.48 1qpq h MET 107 CO 0.02 0.26 0.47 -0.07 -0.40 0.00 0.00 176.91 177.20 1qpq h LEU 108 N -0.47 0.82 -0.87 3.39 4.07 -0.72 -2.02 115.31 119.51 1qpq h LEU 108 Ca -0.01 -0.02 0.02 0.00 0.08 0.00 0.00 57.88 57.95 1qpq h LEU 108 Cb 0.40 -0.20 -0.05 0.00 1.08 0.00 0.00 40.66 41.89 1qpq h LEU 108 CO 0.02 0.59 0.57 0.78 -1.08 0.00 0.00 178.44 179.32 1qpq h ASN 109 N 0.97 0.98 0.33 -0.43 2.35 -1.04 -0.32 115.58 118.42 1qpq h ASN 109 Ca 0.27 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.98 1qpq h ASN 109 Cb -0.10 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.04 1qpq h ASN 109 CO -0.06 0.70 -0.16 -0.07 -1.65 0.00 0.00 177.43 176.19 1qpq h LEU 110 N 1.16 -0.38 -1.63 1.61 -0.00 -1.06 -2.55 115.31 112.47 1qpq h LEU 110 Ca 0.33 -0.16 -0.04 0.00 -0.00 0.00 0.00 57.88 58.00 1qpq h LEU 110 Cb -0.10 0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 40.66 1qpq h LEU 110 CO -0.08 0.07 -0.20 -0.37 -0.00 0.00 0.00 178.44 177.85 1qpq h VAL 111 N -0.95 0.83 -0.22 1.22 -1.51 -1.42 -1.09 116.25 113.12 1qpq h VAL 111 Ca -0.05 -0.79 -0.14 0.00 -1.23 0.00 0.00 66.70 64.49 1qpq h VAL 111 Cb 0.52 1.47 0.00 0.00 -2.13 0.00 0.00 31.29 31.15 1qpq h VAL 111 CO 0.08 0.20 -0.41 1.23 -1.23 0.00 0.00 177.57 177.44 1qpq h GLY 112 N 0.99 0.72 0.77 5.19 0.00 -1.13 -0.87 103.07 108.74 1qpq h GLY 112 Ca -0.00 -0.85 -0.01 0.00 0.00 0.00 0.00 47.33 46.47 1qpq h GLY 112 CO 0.03 0.76 0.01 0.84 0.00 0.00 0.00 176.54 178.18 1qpq h HIS 113 N 0.36 0.11 0.00 5.60 6.17 -0.96 -0.88 115.15 125.56 1qpq h HIS 113 Ca 0.01 -0.02 -0.08 0.00 0.71 0.00 0.00 60.37 61.00 1qpq h HIS 113 Cb 1.01 -0.03 -0.01 0.00 2.52 0.00 0.00 27.41 30.89 1qpq h HIS 113 CO 0.09 0.33 -0.36 -0.07 0.71 0.00 0.00 177.93 178.62 1qpq h LEU 114 N -0.14 0.00 -0.15 0.26 3.38 -1.27 -2.20 115.31 115.18 1qpq h LEU 114 Ca 0.02 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.76 1qpq h LEU 114 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1qpq h LEU 114 CO 0.00 0.36 -0.97 0.28 0.09 0.00 0.00 178.44 178.21 1qpq h SER 115 N 0.00 0.47 -0.63 -0.43 0.02 -1.04 -2.41 113.55 109.53 1qpq h SER 115 Ca -0.00 -0.39 0.03 0.00 -0.84 0.00 0.00 61.79 60.58 1qpq h SER 115 Cb 0.72 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.08 1qpq h SER 115 CO 0.05 1.20 0.39 1.23 -1.14 0.00 0.00 176.83 178.56 1qpq h GLY 116 N 1.38 0.91 0.82 -3.77 0.00 -0.70 0.10 103.07 101.82 1qpq h GLY 116 Ca -0.08 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 1qpq h GLY 116 CO 0.16 0.25 -0.00 -2.22 0.00 0.00 0.00 176.54 174.73 1qpq h ILE 117 N 0.77 1.13 -0.39 2.60 2.04 -1.40 -1.72 117.51 120.54 1qpq h ILE 117 Ca 0.25 -0.41 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 1qpq h ILE 117 Cb 0.02 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 1qpq h ILE 117 CO -0.10 0.11 0.09 0.00 0.00 0.00 0.00 178.15 178.24 1qpq h ALA 118 N 0.80 1.42 0.31 1.87 0.00 -1.19 -0.87 119.26 121.59 1qpq h ALA 118 Ca -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1qpq h ALA 118 Cb 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1qpq h ALA 118 CO 0.00 0.42 -0.15 1.15 0.00 0.00 0.00 179.25 180.68 1qpq h THR 119 N 0.57 0.72 -0.65 0.00 2.02 -0.68 -1.72 112.91 113.17 1qpq h THR 119 Ca 0.13 -0.44 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 1qpq h THR 119 Cb 0.23 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 1qpq h THR 119 CO -0.00 0.09 0.40 0.00 0.37 0.00 0.00 175.52 176.37 1qpq h ALA 120 N -0.04 0.83 -0.07 6.16 0.00 -1.13 -2.39 119.26 122.61 1qpq h ALA 120 Ca -0.04 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1qpq h ALA 120 Cb 0.46 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1qpq h ALA 120 CO 0.07 0.30 -0.26 0.00 0.00 0.00 0.00 179.25 179.36 1qpq h THR 121 N 0.88 1.22 0.00 0.00 1.03 -1.17 -1.01 112.91 113.86 1qpq h THR 121 Ca 0.23 -1.02 -0.07 0.00 -0.01 0.00 0.00 66.41 65.55 1qpq h THR 121 Cb -0.04 1.45 -0.01 0.00 -1.07 0.00 0.00 68.15 68.48 1qpq h THR 121 CO -0.04 0.30 -0.32 0.00 -0.01 0.00 0.00 175.52 175.45 1qpq h ALA 122 N 1.62 1.26 -0.32 0.00 0.00 -0.84 -1.22 119.26 119.77 1qpq h ALA 122 Ca 0.02 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.48 1qpq h ALA 122 Cb 0.52 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1qpq h ALA 122 CO 0.04 0.39 -0.44 0.00 0.00 0.00 0.00 179.25 179.24 1qpq h ALA 123 N 1.68 0.61 -0.29 0.00 0.00 -0.72 -1.04 119.26 119.50 1qpq h ALA 123 Ca -0.00 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 1qpq h ALA 123 Cb 0.65 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1qpq h ALA 123 CO 0.04 0.68 -0.15 -1.49 0.00 0.00 0.00 179.25 178.33 1qpq h TRP 124 N 0.66 0.71 -0.82 0.00 4.06 -1.28 -1.01 115.95 118.27 1qpq h TRP 124 Ca 0.04 -0.18 0.00 0.00 2.06 0.00 0.00 58.89 60.82 1qpq h TRP 124 Cb 1.02 -0.16 -0.04 0.00 -1.00 0.00 0.00 29.16 28.98 1qpq h TRP 124 CO 0.06 0.85 0.52 0.28 -3.56 0.00 0.00 178.44 176.59 1qpq h VAL 125 N 0.36 1.22 -0.38 1.49 2.07 -1.13 -0.81 116.25 119.08 1qpq h VAL 125 Ca 0.06 -0.44 -0.08 0.00 0.82 0.00 0.00 66.70 67.07 1qpq h VAL 125 Cb 0.67 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1qpq h VAL 125 CO 0.04 0.22 -0.11 0.44 0.02 0.00 0.00 177.57 178.19 1qpq h ASP 126 N 1.11 0.64 -0.85 0.57 3.32 -1.05 -2.65 116.42 117.52 1qpq h ASP 126 Ca 0.30 -0.18 0.01 0.00 0.02 0.00 0.00 57.03 57.18 1qpq h ASP 126 Cb -0.09 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.25 1qpq h ASP 126 CO -0.06 0.78 0.56 0.00 -1.72 0.00 0.00 179.24 178.80 1qpq h ALA 127 N 1.29 1.07 -0.58 3.45 0.00 0.18 -2.61 119.26 122.06 1qpq h ALA 127 Ca 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1qpq h ALA 127 Cb 0.53 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1qpq h ALA 127 CO 0.03 0.49 0.00 1.33 0.00 0.00 0.00 179.25 181.10 1qpq n VAL 128 N -4.49 1.64 -1.80 0.00 0.24 -0.58 -4.24 118.33 109.10 1qpq n VAL 128 Ca 0.09 -1.04 -0.40 0.00 -2.04 0.00 0.00 64.34 60.94 1qpq n VAL 128 Cb 0.02 0.06 0.01 0.00 -1.47 0.00 0.00 33.84 32.46 1qpq n VAL 128 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1qpq s ARG 129 N -1.83 3.88 0.00 7.34 3.52 -0.99 -2.33 118.95 128.53 1qpq s ARG 129 Ca 0.45 2.50 0.00 0.00 -0.13 0.00 0.00 55.73 58.55 1qpq s ARG 129 Cb 0.29 -2.80 0.00 0.00 -1.56 0.00 0.00 34.95 30.89 1qpq s ARG 129 CO 0.22 -0.69 0.00 0.41 -0.81 0.00 0.00 175.30 174.42 1qpq n GLY 130 N 0.52 0.62 3.25 8.12 0.00 -1.26 -5.03 105.19 111.41 1qpq n GLY 130 Ca 0.03 -0.32 -0.14 0.00 0.00 0.00 0.00 46.02 45.59 1qpq n GLY 130 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qpq s THR 131 N -2.00 0.84 -1.77 2.61 2.01 -0.98 -5.04 115.64 111.31 1qpq s THR 131 Ca 0.00 -2.00 0.26 0.00 0.31 0.00 0.00 61.69 60.26 1qpq s THR 131 Cb 0.00 -2.06 0.24 0.00 0.01 0.00 0.00 72.50 70.69 1qpq s THR 131 CO 0.00 -0.55 1.52 2.29 -0.69 0.00 0.00 174.62 177.20 1qpq n LYS 132 N -0.24 0.86 -1.90 4.92 2.85 -1.26 -4.95 118.16 118.43 1qpq n LYS 132 Ca -0.08 -0.53 -0.40 0.00 -1.05 0.00 0.00 58.31 56.26 1qpq n LYS 132 Cb 0.63 -1.49 0.01 0.00 -0.65 0.00 0.00 35.03 33.52 1qpq n LYS 132 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1qpq s ALA 133 N -2.51 3.28 0.06 0.58 0.00 -1.26 -4.91 121.76 117.01 1qpq s ALA 133 Ca 0.24 1.38 0.08 0.00 0.00 0.00 0.00 51.96 53.65 1qpq s ALA 133 Cb 0.19 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 1qpq s ALA 133 CO 0.53 -1.03 -0.18 0.15 0.00 0.00 0.00 175.76 175.23 1qpq s LYS 134 N -2.32 2.00 -0.20 0.00 3.01 -0.93 -4.94 119.74 116.35 1qpq s LYS 134 Ca 0.58 -1.03 -0.19 0.00 -1.01 0.00 0.00 55.97 54.33 1qpq s LYS 134 Cb -0.42 -2.17 -0.03 0.00 -1.01 0.00 0.00 37.83 34.20 1qpq s LYS 134 CO 0.54 0.52 0.53 0.42 0.51 0.00 0.00 175.35 177.87 1qpq s ILE 135 N -0.99 5.10 0.30 2.17 -1.09 -1.26 -1.17 121.20 124.26 1qpq s ILE 135 Ca 0.16 0.97 0.11 0.00 -2.23 0.00 0.00 60.65 59.66 1qpq s ILE 135 Cb -0.11 -3.85 -0.05 0.00 -1.58 0.00 0.00 42.46 36.87 1qpq s ILE 135 CO 0.07 0.17 -0.16 -0.13 -1.23 0.00 0.00 174.94 173.66 1qpq s ARG 136 N 1.65 1.75 0.13 2.79 0.52 0.39 -0.54 118.95 125.63 1qpq s ARG 136 Ca 0.24 -1.81 0.02 0.00 -0.52 0.00 0.00 55.73 53.66 1qpq s ARG 136 Cb -0.15 -1.77 0.02 0.00 0.52 0.00 0.00 34.95 33.57 1qpq s ARG 136 CO 0.10 0.27 0.16 -0.40 0.02 0.00 0.00 175.30 175.45 1qpq n ASP 137 N -0.69 0.58 -0.89 0.23 5.68 -1.21 -0.88 116.55 119.38 1qpq n ASP 137 Ca -0.05 -1.35 0.00 0.00 -0.50 0.00 0.00 54.79 52.89 1qpq n ASP 137 Cb 0.61 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.51 1qpq n ASP 137 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1qpq n THR 138 N -1.21 0.00 -0.32 2.12 -2.24 -1.26 -4.41 114.28 106.96 1qpq n THR 138 Ca 0.03 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.90 1qpq n THR 138 Cb 0.13 0.00 0.32 0.00 -2.10 0.00 0.00 70.33 68.68 1qpq n THR 138 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1qpq n ARG 139 N 0.00 3.18 -2.01 -0.78 1.74 -1.26 -4.60 116.66 112.93 1qpq n ARG 139 Ca 0.00 -2.55 -0.41 0.00 -0.77 0.00 0.00 57.85 54.12 1qpq n ARG 139 Cb 0.00 -1.74 -0.00 0.00 -1.02 0.00 0.00 32.46 29.70 1qpq n ARG 139 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1qpq n LYS 140 N 1.18 3.77 -3.96 5.56 5.02 -1.26 -4.91 118.16 123.56 1qpq n LYS 140 Ca 0.23 -3.18 -0.23 0.00 -2.02 0.00 0.00 58.31 53.11 1qpq n LYS 140 Cb 0.74 -2.89 -0.06 0.00 -0.02 0.00 0.00 35.03 32.80 1qpq n LYS 140 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1qpq s THR 141 N 0.66 2.72 0.09 -0.18 -4.23 -1.26 -2.97 115.64 110.48 1qpq s THR 141 Ca 0.49 -1.59 -0.16 0.00 -1.18 0.00 0.00 61.69 59.24 1qpq s THR 141 Cb 0.14 -3.00 -0.07 0.00 1.34 0.00 0.00 72.50 70.91 1qpq s THR 141 CO -0.05 -0.08 0.53 -0.76 -0.54 0.00 0.00 174.62 173.73 1qpq s LEU 142 N -3.94 4.44 -0.05 4.79 2.01 -1.26 -4.97 118.68 119.69 1qpq s LEU 142 Ca 0.42 1.13 -0.32 0.00 0.01 0.00 0.00 54.13 55.36 1qpq s LEU 142 Cb -0.01 -3.01 -0.10 0.00 0.01 0.00 0.00 46.19 43.08 1qpq s LEU 142 CO 0.24 0.21 1.94 -0.81 1.01 0.00 0.00 176.35 178.94 1qpq n PRO 143 N 1.32 2.43 0.00 1.29 -0.04 -1.26 -0.91 135.00 137.84 1qpq n PRO 143 Ca -0.09 0.88 0.00 0.00 -0.04 0.00 0.00 63.50 64.26 1qpq n PRO 143 Cb 0.51 -2.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 1qpq n PRO 143 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qpq n GLY 144 N 4.57 0.67 0.13 0.55 0.00 -1.26 -4.90 105.19 104.95 1qpq n GLY 144 Ca 0.22 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.25 1qpq n GLY 144 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qpq n LEU 145 N 0.00 1.92 -0.22 0.99 4.77 -0.09 -4.82 117.00 119.56 1qpq n LEU 145 Ca 0.00 -1.71 0.02 0.00 -0.03 0.00 0.00 56.01 54.28 1qpq n LEU 145 Cb 0.00 -0.04 0.13 0.00 -2.33 0.00 0.00 43.42 41.18 1qpq n LEU 145 CO 0.00 0.47 1.00 -0.09 -1.33 0.00 0.00 177.39 177.44 1qpq h ARG 146 N 0.46 0.42 -0.69 3.23 2.43 -1.90 -0.64 114.38 117.68 1qpq h ARG 146 Ca 0.00 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 1qpq h ARG 146 Cb 0.42 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 1qpq h ARG 146 CO 0.00 0.27 0.28 0.00 -1.51 0.00 0.00 179.97 179.01 1qpq h ALA 147 N 1.46 0.90 -0.08 2.80 0.00 -1.94 0.14 119.26 122.54 1qpq h ALA 147 Ca 0.34 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1qpq h ALA 147 Cb 0.45 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1qpq h ALA 147 CO -0.34 0.52 -0.03 -0.07 0.00 0.00 0.00 179.25 179.33 1qpq h LEU 148 N 0.99 0.17 -1.14 0.00 3.38 -1.81 -1.20 115.31 115.70 1qpq h LEU 148 Ca 0.23 -0.40 0.02 0.00 0.09 0.00 0.00 57.88 57.82 1qpq h LEU 148 Cb 0.20 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 1qpq h LEU 148 CO -0.02 0.53 0.58 1.56 0.09 0.00 0.00 178.44 181.19 1qpq h GLN 149 N -0.20 1.13 -0.25 1.13 4.20 -0.93 0.14 115.11 120.32 1qpq h GLN 149 Ca 0.02 -0.07 -0.13 0.00 0.06 0.00 0.00 58.65 58.53 1qpq h GLN 149 Cb 0.47 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1qpq h GLN 149 CO 0.01 0.75 -0.37 0.87 -0.67 0.00 0.00 178.83 179.42 1qpq h LYS 150 N 1.16 0.56 -0.10 1.46 6.56 -0.69 -2.35 116.57 123.17 1qpq h LYS 150 Ca 0.33 -0.27 -0.01 0.00 -1.06 0.00 0.00 60.65 59.64 1qpq h LYS 150 Cb -0.08 -0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.57 1qpq h LYS 150 CO -0.08 0.85 0.02 -0.92 -2.06 0.00 0.00 179.45 177.26 1qpq h TYR 151 N 0.47 0.16 -0.85 -1.35 3.20 0.09 -2.87 116.97 115.83 1qpq h TYR 151 Ca 0.05 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.97 1qpq h TYR 151 Cb 0.86 -0.05 -0.06 0.00 1.54 0.00 0.00 36.73 39.02 1qpq h TYR 151 CO 0.03 0.33 0.52 0.00 -1.64 0.00 0.00 178.16 177.40 1qpq h ALA 152 N 0.82 1.18 -0.36 1.82 0.00 -0.55 -0.95 119.26 121.23 1qpq h ALA 152 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1qpq h ALA 152 Cb 0.24 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1qpq h ALA 152 CO 0.00 0.23 -0.12 -0.39 0.00 0.00 0.00 179.25 178.97 1qpq h VAL 153 N 0.93 1.25 -0.61 0.00 -1.51 -1.39 -0.72 116.25 114.18 1qpq h VAL 153 Ca 0.38 -1.10 -0.07 0.00 -1.23 0.00 0.00 66.70 64.68 1qpq h VAL 153 Cb 0.22 1.11 -0.03 0.00 -2.13 0.00 0.00 31.29 30.46 1qpq h VAL 153 CO -0.19 0.37 0.12 -0.09 -1.23 0.00 0.00 177.57 176.54 1qpq h ARG 154 N 0.57 0.98 -0.51 5.19 2.43 -1.18 0.29 114.38 122.15 1qpq h ARG 154 Ca 0.10 -0.23 -0.07 0.00 -0.81 0.00 0.00 59.98 58.96 1qpq h ARG 154 Cb 0.54 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 1qpq h ARG 154 CO 0.03 0.89 0.02 1.15 -1.51 0.00 0.00 179.97 180.56 1qpq h THR 155 N 0.93 1.25 0.00 0.20 2.02 -0.40 -2.10 112.91 114.80 1qpq h THR 155 Ca 0.19 -1.00 0.00 0.00 0.77 0.00 0.00 66.41 66.37 1qpq h THR 155 Cb 0.38 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1qpq h THR 155 CO 0.01 0.36 0.00 0.61 0.37 0.00 0.00 175.52 176.86 1qpq n GLY 156 N -0.64 -1.14 0.00 2.16 0.00 -0.35 -4.68 105.19 100.54 1qpq n GLY 156 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1qpq n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qpq n GLY 157 N 0.56 0.84 3.95 -0.02 0.00 -0.79 -3.38 105.19 106.34 1qpq n GLY 157 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1qpq n GLY 157 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qpq s GLY 158 N -0.45 1.79 -0.03 -0.02 0.00 0.98 -4.81 107.32 104.79 1qpq s GLY 158 Ca 0.00 -1.35 0.04 0.00 0.00 0.00 0.00 44.72 43.41 1qpq s GLY 158 CO 0.00 -0.58 -0.14 -1.34 0.00 0.00 0.00 173.10 171.04 1qpq s VAL 159 N -3.79 1.14 0.43 1.40 -7.23 0.29 -4.24 120.40 108.40 1qpq s VAL 159 Ca 0.74 -0.57 -0.23 0.00 -1.81 0.00 0.00 61.98 60.11 1qpq s VAL 159 Cb -0.03 -0.98 -0.08 0.00 0.56 0.00 0.00 36.38 35.84 1qpq s VAL 159 CO 0.52 0.33 1.08 0.20 -0.31 0.00 0.00 175.10 176.92 1qpq s ASN 160 N 0.00 6.49 0.00 4.85 0.01 -1.26 -3.33 114.94 121.70 1qpq s ASN 160 Ca -0.01 2.10 0.00 0.00 -0.71 0.00 0.00 52.86 54.23 1qpq s ASN 160 Cb -0.09 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 38.98 1qpq s ASN 160 CO 0.01 -0.68 0.00 1.57 -1.51 0.00 0.00 177.10 176.49 1qpq n HIS 161 N -0.38 0.00 -2.26 2.20 -0.00 -1.26 -4.87 115.22 108.66 1qpq n HIS 161 Ca 0.07 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 57.91 1qpq n HIS 161 Cb 0.50 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.36 1qpq n HIS 161 CO 0.00 0.00 0.00 -0.98 0.46 0.00 0.00 176.34 175.82 1qpq s ARG 162 N 2.68 3.52 0.21 1.57 1.70 -1.26 -4.96 118.95 122.41 1qpq s ARG 162 Ca 0.00 1.28 0.23 0.00 -0.47 0.00 0.00 55.73 56.77 1qpq s ARG 162 Cb 0.00 -2.06 0.04 0.00 -0.57 0.00 0.00 34.95 32.36 1qpq s ARG 162 CO 0.00 -0.66 1.09 -0.07 -1.08 0.00 0.00 175.30 174.58 1qpq h LEU 163 N 0.92 0.00 0.00 -1.89 3.38 -1.95 -3.45 115.31 112.32 1qpq h LEU 163 Ca -0.48 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1qpq h LEU 163 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1qpq h LEU 163 CO 0.58 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.73 1qpq n GLY 164 N 1.19 2.41 0.08 0.83 0.00 -1.26 -5.06 105.19 103.37 1qpq n GLY 164 Ca 0.00 -0.85 -0.05 0.00 0.00 0.00 0.00 46.02 45.12 1qpq n GLY 164 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qpq h LEU 165 N 0.00 0.00 -0.21 0.99 4.07 -1.95 -3.32 115.31 114.89 1qpq h LEU 165 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1qpq h LEU 165 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1qpq h LEU 165 CO 0.00 0.91 -0.81 0.61 -1.08 0.00 0.00 178.44 178.08 1qpq n GLY 166 N 1.23 -0.83 0.23 0.83 0.00 -1.26 -4.30 105.19 101.10 1qpq n GLY 166 Ca 0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 46.02 45.44 1qpq n GLY 166 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1qpq h ASP 167 N 0.50 0.34 -4.67 1.61 1.82 -1.98 -3.45 116.42 110.60 1qpq h ASP 167 Ca 0.00 0.05 0.04 0.00 -0.39 0.00 0.00 57.03 56.73 1qpq h ASP 167 Cb 0.55 -0.00 -0.17 0.00 0.68 0.00 0.00 39.33 40.38 1qpq h ASP 167 CO 0.00 0.22 0.38 0.00 -1.61 0.00 0.00 179.24 178.23 1qpq s ALA 168 N -6.10 -1.79 0.19 -0.78 0.00 -1.26 -4.73 121.76 107.29 1qpq s ALA 168 Ca -0.13 1.13 -0.20 0.00 0.00 0.00 0.00 51.96 52.76 1qpq s ALA 168 Cb 0.16 0.12 -0.08 0.00 0.00 0.00 0.00 23.12 23.32 1qpq s ALA 168 CO 0.75 -0.53 0.71 0.00 0.00 0.00 0.00 175.76 176.68 1qpq s ALA 169 N -2.27 3.45 -0.27 0.00 0.00 0.86 -4.82 121.76 118.71 1qpq s ALA 169 Ca -0.01 0.16 -0.02 0.00 0.00 0.00 0.00 51.96 52.09 1qpq s ALA 169 Cb -0.01 -2.80 0.12 0.00 0.00 0.00 0.00 23.12 20.43 1qpq s ALA 169 CO -0.03 0.34 0.26 -1.17 0.00 0.00 0.00 175.76 175.16 1qpq s LEU 170 N -1.77 -0.13 -0.36 0.00 0.20 -1.25 -1.50 118.68 113.88 1qpq s LEU 170 Ca 0.40 -0.67 -0.29 0.00 0.69 0.00 0.00 54.13 54.26 1qpq s LEU 170 Cb -0.18 0.40 0.01 0.00 -0.43 0.00 0.00 46.19 45.99 1qpq s LEU 170 CO 0.21 -0.38 1.30 -0.63 -0.29 0.00 0.00 176.35 176.57 1qpq s ILE 171 N 2.33 4.09 0.52 6.68 1.01 0.28 -4.93 121.20 131.18 1qpq s ILE 171 Ca 0.09 1.19 0.09 0.00 0.00 0.00 0.00 60.65 62.02 1qpq s ILE 171 Cb -0.15 -4.24 0.06 0.00 0.01 0.00 0.00 42.46 38.14 1qpq s ILE 171 CO -0.28 -0.63 0.70 -0.54 0.00 0.00 0.00 174.94 174.19 1qpq s LYS 172 N 4.42 2.49 0.27 2.79 1.02 -1.26 -0.26 119.74 129.21 1qpq s LYS 172 Ca 0.56 -1.50 -0.02 0.00 0.02 0.00 0.00 55.97 55.03 1qpq s LYS 172 Cb -0.14 -2.68 0.44 0.00 -0.52 0.00 0.00 37.83 34.93 1qpq s LYS 172 CO 0.27 -0.64 1.86 0.38 -0.92 0.00 0.00 175.35 176.29 1qpq h ASP 173 N 0.36 0.95 0.64 2.83 2.03 -1.94 -1.28 116.42 120.01 1qpq h ASP 173 Ca -0.34 0.03 -0.05 0.00 -0.73 0.00 0.00 57.03 55.94 1qpq h ASP 173 Cb 1.29 -0.17 -0.01 0.00 -0.83 0.00 0.00 39.33 39.61 1qpq h ASP 173 CO 0.43 0.57 -0.24 0.78 -1.03 0.00 0.00 179.24 179.75 1qpq h ASN 174 N 1.07 0.00 0.16 4.15 2.35 -1.99 0.55 115.58 121.87 1qpq h ASN 174 Ca 0.44 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.95 1qpq h ASN 174 Cb 0.29 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.68 1qpq h ASN 174 CO -0.21 0.24 -1.06 0.45 -1.65 0.00 0.00 177.43 175.20 1qpq h HIS 175 N 0.00 0.75 -0.51 1.19 3.86 -1.74 -1.89 115.15 116.82 1qpq h HIS 175 Ca -0.00 -0.53 0.05 0.00 -1.16 0.00 0.00 60.37 58.74 1qpq h HIS 175 Cb 0.62 -0.04 -0.05 0.00 1.06 0.00 0.00 27.41 29.00 1qpq h HIS 175 CO 0.00 1.40 0.23 0.28 0.86 0.00 0.00 177.93 180.70 1qpq h VAL 176 N -0.11 0.91 0.16 2.45 2.07 -0.90 0.97 116.25 121.81 1qpq h VAL 176 Ca -0.18 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1qpq h VAL 176 Cb 1.82 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1qpq h VAL 176 CO 0.20 0.08 -0.11 0.00 0.02 0.00 0.00 177.57 177.77 1qpq h ALA 177 N 1.30 -0.25 -0.58 1.67 0.00 -0.93 0.33 119.26 120.80 1qpq h ALA 177 Ca 0.23 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1qpq h ALA 177 Cb 0.18 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1qpq h ALA 177 CO -0.19 -0.65 0.38 0.00 0.00 0.00 0.00 179.25 178.79 1qpq h ALA 178 N 0.57 0.74 0.00 0.00 0.00 -0.64 -1.90 119.26 118.03 1qpq h ALA 178 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1qpq h ALA 178 Cb 0.23 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1qpq h ALA 178 CO 0.01 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.41 1qpq n ALA 179 N -2.27 2.19 0.00 0.00 0.00 0.33 -4.89 120.51 115.87 1qpq n ALA 179 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1qpq n ALA 179 Cb 0.03 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.07 1qpq n ALA 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qpq n GLY 180 N 1.12 2.60 3.26 0.00 0.00 0.12 -4.57 105.19 107.72 1qpq n GLY 180 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 1qpq n GLY 180 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qpq s SER 181 N -0.15 -0.11 0.05 1.61 0.15 -1.10 -4.88 113.70 109.28 1qpq s SER 181 Ca 0.00 -0.29 -0.22 0.00 0.70 0.00 0.00 55.95 56.15 1qpq s SER 181 Cb 0.00 0.38 -0.14 0.00 -1.71 0.00 0.00 66.02 64.56 1qpq s SER 181 CO 0.00 -0.69 1.48 0.58 1.20 0.00 0.00 173.24 175.81 1qpq h VAL 182 N 2.95 1.25 -0.60 4.45 2.07 -1.91 -0.45 116.25 124.01 1qpq h VAL 182 Ca -0.33 -0.82 -0.08 0.00 0.82 0.00 0.00 66.70 66.29 1qpq h VAL 182 Cb 1.21 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 1qpq h VAL 182 CO 0.48 0.24 0.07 0.58 0.02 0.00 0.00 177.57 178.96 1qpq h VAL 183 N -0.06 1.26 0.20 2.57 2.07 -1.95 -1.53 116.25 118.80 1qpq h VAL 183 Ca 0.03 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.51 1qpq h VAL 183 Cb 0.36 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1qpq h VAL 183 CO 0.01 0.38 -0.20 0.44 0.02 0.00 0.00 177.57 178.22 1qpq h ASP 184 N 0.92 -0.53 -0.20 0.57 3.32 -1.84 -0.59 116.42 118.07 1qpq h ASP 184 Ca 0.18 0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.33 1qpq h ASP 184 Cb 0.46 0.18 -0.05 0.00 0.22 0.00 0.00 39.33 40.15 1qpq h ASP 184 CO 0.02 -0.29 -0.11 0.00 -1.72 0.00 0.00 179.24 177.13 1qpq h ALA 185 N 0.32 0.05 -0.13 3.45 0.00 -0.96 -0.02 119.26 121.96 1qpq h ALA 185 Ca 0.00 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1qpq h ALA 185 Cb 0.40 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1qpq h ALA 185 CO -0.05 -0.54 -0.03 1.25 0.00 0.00 0.00 179.25 179.89 1qpq h LEU 186 N -0.10 -0.11 -0.11 0.00 6.46 -1.06 -1.79 115.31 118.59 1qpq h LEU 186 Ca 0.11 0.04 0.03 0.00 -0.12 0.00 0.00 57.88 57.94 1qpq h LEU 186 Cb 0.26 0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.24 1qpq h LEU 186 CO -0.26 -0.04 -0.07 0.03 -0.62 0.00 0.00 178.44 177.48 1qpq h ARG 187 N 0.01 -0.07 -0.78 1.25 2.47 -0.76 -1.35 114.38 115.15 1qpq h ARG 187 Ca 0.06 0.00 0.15 0.00 -1.26 0.00 0.00 59.98 58.94 1qpq h ARG 187 Cb 0.09 0.02 -0.10 0.00 -1.65 0.00 0.00 29.97 28.33 1qpq h ARG 187 CO -0.13 -0.05 0.31 0.00 0.56 0.00 0.00 179.97 180.66 1qpq h ALA 188 N 1.02 1.12 -0.16 0.04 0.00 -0.48 0.27 119.26 121.08 1qpq h ALA 188 Ca 0.07 0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.93 1qpq h ALA 188 Cb 0.18 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1qpq h ALA 188 CO -0.16 -0.23 -0.62 0.28 0.00 0.00 0.00 179.25 178.52 1qpq h VAL 189 N 0.43 1.33 -0.75 0.00 2.07 -1.10 -2.09 116.25 116.14 1qpq h VAL 189 Ca 0.44 -1.90 0.03 0.00 0.82 0.00 0.00 66.70 66.08 1qpq h VAL 189 Cb 0.70 1.87 -0.04 0.00 -1.52 0.00 0.00 31.29 32.30 1qpq h VAL 189 CO -0.43 0.59 0.48 0.03 0.02 0.00 0.00 177.57 178.26 1qpq h ARG 190 N 0.41 0.92 -0.39 1.57 2.47 0.16 0.90 114.38 120.42 1qpq h ARG 190 Ca -0.01 -0.06 -0.08 0.00 -1.26 0.00 0.00 59.98 58.58 1qpq h ARG 190 Cb 1.18 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 29.28 1qpq h ARG 190 CO 0.12 0.61 -0.07 -0.91 0.56 0.00 0.00 179.97 180.27 1qpq h ASN 191 N 0.94 0.73 -0.06 7.04 2.35 -1.13 -2.49 115.58 122.97 1qpq h ASN 191 Ca 0.29 -0.35 -0.09 0.00 -0.55 0.00 0.00 56.30 55.60 1qpq h ASN 191 Cb -0.02 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.16 1qpq h ASN 191 CO -0.10 0.91 -0.32 0.00 -1.65 0.00 0.00 177.43 176.27 1qpq h ALA 192 N 0.85 0.12 -2.06 -0.83 0.00 -0.98 -3.40 119.26 112.95 1qpq h ALA 192 Ca 0.10 -0.45 -0.57 0.00 0.00 0.00 0.00 54.91 53.99 1qpq h ALA 192 Cb 0.57 -0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.96 1qpq h ALA 192 CO 0.03 0.18 -0.98 0.00 0.00 0.00 0.00 179.25 178.48 1qpq n ALA 193 N -2.51 2.85 0.23 0.00 0.00 0.28 -4.94 120.51 116.41 1qpq n ALA 193 Ca -0.09 -3.74 0.03 0.00 0.00 0.00 0.00 53.44 49.64 1qpq n ALA 193 Cb 0.51 -0.83 0.14 0.00 0.00 0.00 0.00 19.45 19.27 1qpq n ALA 193 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1qpq n PRO 194 N 1.30 0.00 -0.05 0.00 -0.04 -0.94 -2.55 135.00 132.72 1qpq n PRO 194 Ca 0.23 0.39 -0.04 0.00 -0.04 0.00 0.00 63.50 64.04 1qpq n PRO 194 Cb 0.50 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.31 1qpq n PRO 194 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1qpq n ASP 195 N -1.50 0.23 -4.80 3.54 5.75 -1.26 -5.00 116.55 113.50 1qpq n ASP 195 Ca 0.02 0.10 -0.35 0.00 -0.01 0.00 0.00 54.79 54.55 1qpq n ASP 195 Cb 0.08 0.95 -0.06 0.00 -1.03 0.00 0.00 41.12 41.06 1qpq n ASP 195 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1qpq s LEU 196 N -5.41 4.12 0.33 -2.12 2.96 -1.06 -5.04 118.68 112.47 1qpq s LEU 196 Ca -0.08 1.80 -0.29 0.00 -0.22 0.00 0.00 54.13 55.35 1qpq s LEU 196 Cb 0.08 -4.29 -0.10 0.00 0.50 0.00 0.00 46.19 42.38 1qpq s LEU 196 CO 0.84 -0.28 1.39 -2.84 -1.32 0.00 0.00 176.35 174.14 1qpq s PRO 197 N -2.65 4.27 -0.07 0.98 0.02 -1.26 -4.84 135.00 131.44 1qpq s PRO 197 Ca 0.57 2.34 0.02 0.00 0.02 0.00 0.00 61.00 63.95 1qpq s PRO 197 Cb -0.15 -3.05 0.01 0.00 0.02 0.00 0.00 34.50 31.33 1qpq s PRO 197 CO 0.19 -0.33 -0.13 0.00 -0.33 0.00 0.00 177.00 176.40 1qpq s GLU 199 N 0.72 1.94 -0.10 0.00 8.01 -0.56 -2.66 118.70 126.05 1qpq s GLU 199 Ca -0.13 -0.75 0.04 0.00 0.01 0.00 0.00 54.97 54.13 1qpq s GLU 199 Cb -0.16 -1.75 -0.00 0.00 -4.31 0.00 0.00 34.13 27.91 1qpq s GLU 199 CO 0.03 0.38 -0.22 0.54 0.01 0.00 0.00 175.26 176.00 1qpq s VAL 200 N -0.26 2.25 -0.20 2.63 0.11 -0.29 -0.55 120.40 124.08 1qpq s VAL 200 Ca 0.02 -0.96 -0.17 0.00 -2.93 0.00 0.00 61.98 57.94 1qpq s VAL 200 Cb -0.10 -1.87 -0.04 0.00 -1.53 0.00 0.00 36.38 32.84 1qpq s VAL 200 CO 0.01 0.56 0.45 -0.70 -3.33 0.00 0.00 175.10 172.08 1qpq s GLU 201 N 0.24 4.18 0.01 1.54 2.12 0.64 -0.92 118.70 126.52 1qpq s GLU 201 Ca -0.15 0.29 0.08 0.00 0.36 0.00 0.00 54.97 55.55 1qpq s GLU 201 Cb -0.17 -3.54 -0.02 0.00 0.26 0.00 0.00 34.13 30.65 1qpq s GLU 201 CO 0.07 -0.08 -0.26 0.14 -0.54 0.00 0.00 175.26 174.60 1qpq s VAL 202 N 1.42 2.05 -0.46 3.70 -7.23 -0.50 -4.74 120.40 114.65 1qpq s VAL 202 Ca 0.21 -1.21 0.09 0.00 -1.81 0.00 0.00 61.98 59.26 1qpq s VAL 202 Cb -0.15 -1.73 0.24 0.00 0.56 0.00 0.00 36.38 35.30 1qpq s VAL 202 CO 0.09 0.48 1.19 -0.90 -0.31 0.00 0.00 175.10 175.64 1qpq n ASP 203 N 2.16 2.72 -3.60 4.85 5.68 -1.26 -1.11 116.55 125.99 1qpq n ASP 203 Ca -0.16 -2.24 -0.13 0.00 -0.50 0.00 0.00 54.79 51.76 1qpq n ASP 203 Cb 0.52 -0.22 -0.05 0.00 -1.14 0.00 0.00 41.12 40.22 1qpq n ASP 203 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1qpq s SER 204 N -1.30 -0.36 0.48 -1.12 1.04 -1.26 -4.89 113.70 106.28 1qpq s SER 204 Ca 0.19 0.01 0.25 0.00 0.48 0.00 0.00 55.95 56.88 1qpq s SER 204 Cb 0.13 0.48 1.22 0.00 0.10 0.00 0.00 66.02 67.95 1qpq s SER 204 CO 0.09 -0.75 1.98 -0.07 0.98 0.00 0.00 173.24 175.46 1qpq h LEU 205 N 2.70 0.00 0.14 2.42 3.38 -1.96 0.10 115.31 122.08 1qpq h LEU 205 Ca -0.32 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1qpq h LEU 205 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1qpq h LEU 205 CO 0.43 0.18 -0.07 -0.33 0.09 0.00 0.00 178.44 178.74 1qpq h GLU 206 N 0.00 -0.18 -0.89 1.13 3.07 -1.99 0.87 114.58 116.59 1qpq h GLU 206 Ca -0.00 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.85 1qpq h GLU 206 Cb 0.49 0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.40 1qpq h GLU 206 CO 0.02 0.12 0.50 1.96 -1.40 0.00 0.00 179.01 180.21 1qpq h GLN 207 N -0.48 1.24 -0.39 2.33 4.20 -1.86 -1.43 115.11 118.71 1qpq h GLN 207 Ca -0.02 -0.14 0.03 0.00 0.06 0.00 0.00 58.65 58.58 1qpq h GLN 207 Cb 0.38 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 1qpq h GLN 207 CO 0.03 0.90 0.19 1.25 -0.67 0.00 0.00 178.83 180.53 1qpq h LEU 208 N 1.25 0.27 -1.08 1.46 5.85 -0.74 -1.18 115.31 121.14 1qpq h LEU 208 Ca 0.32 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.06 1qpq h LEU 208 Cb 0.02 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 1qpq h LEU 208 CO -0.05 0.20 0.57 0.44 -0.34 0.00 0.00 178.44 179.26 1qpq h ASP 209 N 0.39 1.05 -0.32 1.25 3.32 0.12 -0.96 116.42 121.28 1qpq h ASP 209 Ca 0.17 -0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 1qpq h ASP 209 Cb 0.09 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1qpq h ASP 209 CO -0.13 0.78 -0.15 0.00 -1.72 0.00 0.00 179.24 178.02 1qpq h ALA 210 N 1.41 0.97 0.00 3.45 0.00 -0.41 -3.27 119.26 121.41 1qpq h ALA 210 Ca 0.33 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1qpq h ALA 210 Cb -0.11 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1qpq h ALA 210 CO -0.07 0.61 -1.22 1.33 0.00 0.00 0.00 179.25 179.90 1qpq n VAL 211 N -4.15 0.36 -0.18 0.00 0.24 -0.53 -4.34 118.33 109.72 1qpq n VAL 211 Ca 0.01 -0.45 -0.00 0.00 -2.04 0.00 0.00 64.34 61.86 1qpq n VAL 211 Cb 0.38 -0.12 0.09 0.00 -1.47 0.00 0.00 33.84 32.73 1qpq n VAL 211 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1qpq h LEU 212 N 0.00 -0.07 -1.89 1.34 3.38 -1.23 -1.62 115.31 115.22 1qpq h LEU 212 Ca 0.00 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1qpq h LEU 212 Cb 0.92 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1qpq h LEU 212 CO 0.00 -0.02 0.07 1.55 0.09 0.00 0.00 178.44 180.13 1qpq h PRO 213 N 0.21 0.14 0.00 1.13 0.13 -1.76 -0.35 132.00 131.50 1qpq h PRO 213 Ca 0.29 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.41 1qpq h PRO 213 Cb 0.43 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.53 1qpq h PRO 213 CO -0.40 0.10 0.00 0.39 -0.23 0.00 0.00 178.00 177.85 1qpq n GLU 214 N -4.52 0.09 -3.50 0.86 -0.58 -0.62 -4.93 120.64 107.45 1qpq n GLU 214 Ca -0.01 0.35 -0.24 0.00 -0.42 0.00 0.00 57.16 56.84 1qpq n GLU 214 Cb 0.08 -1.68 0.05 0.00 -0.57 0.00 0.00 31.44 29.33 1qpq n GLU 214 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1qpq n LYS 215 N -1.85 -1.60 -1.65 3.49 5.02 -0.14 -4.99 118.16 116.43 1qpq n LYS 215 Ca 0.03 0.66 -0.30 0.00 -2.02 0.00 0.00 58.31 56.67 1qpq n LYS 215 Cb 0.18 -4.78 0.07 0.00 -0.02 0.00 0.00 35.03 30.48 1qpq n LYS 215 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1qpq s PRO 216 N -5.25 2.54 0.15 1.97 0.04 -1.26 -4.97 135.00 128.22 1qpq s PRO 216 Ca 0.44 0.67 -0.15 0.00 0.04 0.00 0.00 61.00 62.00 1qpq s PRO 216 Cb -0.12 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.48 1qpq s PRO 216 CO 0.81 -1.31 1.78 0.93 0.04 0.00 0.00 177.00 179.25 1qpq h GLU 217 N -0.86 0.61 -3.47 4.56 3.07 -1.89 -3.42 114.58 113.18 1qpq h GLU 217 Ca -0.46 -0.06 -0.15 0.00 -0.50 0.00 0.00 59.36 58.19 1qpq h GLU 217 Cb 1.25 -0.12 -0.22 0.00 -0.84 0.00 0.00 28.75 28.82 1qpq h GLU 217 CO 0.60 0.46 -0.49 -0.51 -1.40 0.00 0.00 179.01 177.67 1qpq s LEU 218 N -10.04 1.50 -0.09 1.33 1.43 -1.09 -2.59 118.68 109.14 1qpq s LEU 218 Ca -0.13 -0.10 0.03 0.00 -1.03 0.00 0.00 54.13 52.90 1qpq s LEU 218 Cb 0.11 0.67 0.01 0.00 0.03 0.00 0.00 46.19 47.01 1qpq s LEU 218 CO 0.74 -0.31 -0.18 -0.63 0.23 0.00 0.00 176.35 176.19 1qpq s ILE 219 N -1.10 1.65 -0.33 -0.59 1.01 0.22 -1.14 121.20 120.93 1qpq s ILE 219 Ca -0.12 -0.77 -0.13 0.00 0.00 0.00 0.00 60.65 59.63 1qpq s ILE 219 Cb -0.06 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.92 1qpq s ILE 219 CO 0.01 0.47 0.28 -0.22 0.00 0.00 0.00 174.94 175.49 1qpq s LEU 220 N 0.59 4.38 -0.68 2.97 0.20 -0.09 -1.39 118.68 124.65 1qpq s LEU 220 Ca -0.15 -0.24 -0.25 0.00 0.69 0.00 0.00 54.13 54.19 1qpq s LEU 220 Cb -0.17 -2.22 0.05 0.00 -0.43 0.00 0.00 46.19 43.42 1qpq s LEU 220 CO 0.05 -0.24 1.09 -0.76 -0.29 0.00 0.00 176.35 176.20 1qpq s LEU 221 N 1.86 3.87 -0.62 -0.68 1.43 0.57 -1.41 118.68 123.70 1qpq s LEU 221 Ca 0.09 -0.72 -0.27 0.00 -1.03 0.00 0.00 54.13 52.20 1qpq s LEU 221 Cb -0.17 -2.52 0.03 0.00 0.03 0.00 0.00 46.19 43.57 1qpq s LEU 221 CO 0.11 -1.59 1.18 -0.62 0.23 0.00 0.00 176.35 175.66 1qpq s ASP 222 N 3.64 6.36 -1.09 2.29 2.15 -0.26 -2.23 116.67 127.52 1qpq s ASP 222 Ca 0.28 -0.12 -0.04 0.00 0.43 0.00 0.00 52.55 53.11 1qpq s ASP 222 Cb -0.13 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 1qpq s ASP 222 CO 0.13 -1.53 0.93 0.59 -0.17 0.00 0.00 175.17 175.11 1qpq n ASN 223 N 8.52 -3.80 -4.84 -0.34 3.02 0.17 -4.62 115.26 113.38 1qpq n ASN 223 Ca 0.06 -0.50 -0.34 0.00 -0.03 0.00 0.00 54.58 53.78 1qpq n ASN 223 Cb 0.49 -4.41 -0.06 0.00 -0.61 0.00 0.00 39.78 35.19 1qpq n ASN 223 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1qpq s PHE 224 N -3.29 3.49 0.77 3.10 0.40 -1.26 -4.84 117.98 116.35 1qpq s PHE 224 Ca 0.24 1.25 -0.11 0.00 -0.60 0.00 0.00 56.93 57.70 1qpq s PHE 224 Cb -0.10 -2.54 0.05 0.00 0.51 0.00 0.00 43.02 40.94 1qpq s PHE 224 CO 0.62 0.21 1.09 0.00 0.70 0.00 0.00 175.22 177.84 1qpq s ALA 225 N -1.78 2.35 0.23 5.36 0.00 -1.26 -4.82 121.76 121.83 1qpq s ALA 225 Ca 0.49 -0.13 -0.08 0.00 0.00 0.00 0.00 51.96 52.24 1qpq s ALA 225 Cb -0.13 -3.13 0.20 0.00 0.00 0.00 0.00 23.12 20.07 1qpq s ALA 225 CO 0.19 -1.61 1.90 0.28 0.00 0.00 0.00 175.76 176.51 1qpq h VAL 226 N -1.00 1.21 -0.48 0.00 2.07 -1.97 -0.79 116.25 115.28 1qpq h VAL 226 Ca -0.46 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 66.62 1qpq h VAL 226 Cb 1.25 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1qpq h VAL 226 CO 0.58 0.21 0.11 4.11 0.02 0.00 0.00 177.57 182.60 1qpq h TRP 227 N 1.14 0.75 -0.01 1.57 5.08 -1.98 -1.32 115.95 121.18 1qpq h TRP 227 Ca 0.32 -0.06 -0.12 0.00 1.08 0.00 0.00 58.89 60.11 1qpq h TRP 227 Cb -0.11 -0.22 -0.02 0.00 -3.00 0.00 0.00 29.16 25.81 1qpq h TRP 227 CO -0.01 0.64 -0.54 1.96 -1.28 0.00 0.00 178.44 179.21 1qpq h GLN 228 N 0.71 0.04 -0.23 0.12 4.20 -1.68 -2.01 115.11 116.25 1qpq h GLN 228 Ca 0.16 -0.02 -0.16 0.00 0.06 0.00 0.00 58.65 58.69 1qpq h GLN 228 Cb 0.28 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1qpq h GLN 228 CO -0.00 0.56 -0.50 1.15 -0.67 0.00 0.00 178.83 179.38 1qpq h THR 229 N 0.03 1.31 -0.18 -0.54 2.02 -0.31 -0.56 112.91 114.66 1qpq h THR 229 Ca -0.00 -1.71 -0.03 0.00 0.77 0.00 0.00 66.41 65.43 1qpq h THR 229 Cb 0.96 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 69.03 1qpq h THR 229 CO 0.07 0.54 -0.02 -0.61 0.37 0.00 0.00 175.52 175.87 1qpq h GLN 230 N 0.49 0.34 0.04 6.66 5.75 -1.06 -1.49 115.11 125.83 1qpq h GLN 230 Ca 0.02 -0.12 0.02 0.00 -0.15 0.00 0.00 58.65 58.42 1qpq h GLN 230 Cb 1.04 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.54 1qpq h GLN 230 CO 0.10 0.58 -0.15 1.15 -2.65 0.00 0.00 178.83 177.85 1qpq h THR 231 N 0.07 0.63 -0.81 2.39 2.02 -1.31 -0.23 112.91 115.67 1qpq h THR 231 Ca 0.05 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.41 1qpq h THR 231 Cb 0.44 0.63 -0.11 0.00 -1.74 0.00 0.00 68.15 67.36 1qpq h THR 231 CO 0.01 0.00 0.29 0.00 0.37 0.00 0.00 175.52 176.19 1qpq h ALA 232 N 0.63 1.18 -0.34 6.16 0.00 -0.99 0.11 119.26 126.02 1qpq h ALA 232 Ca 0.04 0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 1qpq h ALA 232 Cb 0.32 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1qpq h ALA 232 CO -0.12 -0.32 -0.30 0.28 0.00 0.00 0.00 179.25 178.79 1qpq h VAL 233 N 0.36 1.28 -0.29 0.00 2.07 -0.77 -0.91 116.25 117.99 1qpq h VAL 233 Ca 0.48 -1.44 -0.05 0.00 0.82 0.00 0.00 66.70 66.51 1qpq h VAL 233 Cb 0.85 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1qpq h VAL 233 CO -0.51 0.47 -0.02 1.56 0.02 0.00 0.00 177.57 179.09 1qpq h GLN 234 N 0.61 0.53 -0.42 1.57 4.20 0.93 -1.25 115.11 121.28 1qpq h GLN 234 Ca 0.07 -0.18 -0.06 0.00 0.06 0.00 0.00 58.65 58.54 1qpq h GLN 234 Cb 0.82 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.54 1qpq h GLN 234 CO 0.07 0.70 0.03 0.00 -0.67 0.00 0.00 178.83 178.95 1qpq h ARG 235 N 0.31 0.73 -0.29 1.46 3.08 -0.87 -2.50 114.38 116.29 1qpq h ARG 235 Ca 0.08 -0.22 0.02 0.00 0.07 0.00 0.00 59.98 59.93 1qpq h ARG 235 Cb 0.48 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 1qpq h ARG 235 CO 0.02 0.79 0.14 -0.09 -1.07 0.00 0.00 179.97 179.76 1qpq h ARG 236 N 0.57 0.29 -0.13 0.04 1.12 -1.13 0.16 114.38 115.31 1qpq h ARG 236 Ca 0.12 -0.02 0.04 0.00 -1.11 0.00 0.00 59.98 59.01 1qpq h ARG 236 Cb 0.44 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.33 1qpq h ARG 236 CO 0.02 0.19 0.09 -0.44 -3.11 0.00 0.00 179.97 176.72 1qpq h ASP 237 N 0.30 0.00 0.26 -3.80 3.32 -1.09 0.11 116.42 115.52 1qpq h ASP 237 Ca 0.12 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.84 1qpq h ASP 237 Cb 0.04 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.54 1qpq h ASP 237 CO -0.09 0.00 -2.01 -1.54 -1.72 0.00 0.00 179.24 173.88 1qpq n SER 238 N -4.48 0.68 -0.09 6.45 3.41 -0.86 -4.43 113.62 114.29 1qpq n SER 238 Ca 0.00 0.22 -0.10 0.00 -0.26 0.00 0.00 58.87 58.74 1qpq n SER 238 Cb 0.21 0.27 -0.13 0.00 -0.26 0.00 0.00 64.21 64.30 1qpq n SER 238 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1qpq n ARG 239 N -2.97 1.06 -2.92 4.33 1.74 0.52 -4.85 116.66 113.57 1qpq n ARG 239 Ca -0.25 0.02 -0.13 0.00 -0.77 0.00 0.00 57.85 56.71 1qpq n ARG 239 Cb 1.09 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 31.09 1qpq n ARG 239 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qpq n ALA 240 N -2.73 -0.16 -0.18 7.54 0.00 -0.01 -4.93 120.51 120.03 1qpq n ALA 240 Ca -0.30 -1.99 0.30 0.00 0.00 0.00 0.00 53.44 51.44 1qpq n ALA 240 Cb 1.04 -1.18 0.70 0.00 0.00 0.00 0.00 19.45 20.00 1qpq n ALA 240 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1qpq h PRO 241 N 4.28 0.00 0.00 0.00 0.11 -1.68 -0.37 132.00 134.34 1qpq h PRO 241 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1qpq h PRO 241 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1qpq h PRO 241 CO 0.32 0.00 -0.09 1.79 -0.21 0.00 0.00 178.00 179.81 1qpq h THR 242 N 0.00 0.00 -3.60 -1.15 1.35 -1.95 -3.45 112.91 104.11 1qpq h THR 242 Ca 0.45 -0.61 -0.51 0.00 -0.55 0.00 0.00 66.41 65.19 1qpq h THR 242 Cb 2.06 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 70.04 1qpq h THR 242 CO -0.00 0.00 0.47 -0.69 -0.25 0.00 0.00 175.52 175.05 1qpq s VAL 243 N -3.14 3.83 -0.06 6.82 1.01 -0.15 -4.97 120.40 123.75 1qpq s VAL 243 Ca 0.09 1.62 -0.03 0.00 0.00 0.00 0.00 61.98 63.67 1qpq s VAL 243 Cb 0.11 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1qpq s VAL 243 CO 0.63 0.30 0.08 -0.04 0.00 0.00 0.00 175.10 176.06 1qpq s MET 244 N -0.54 3.15 -0.04 2.72 -1.94 -1.07 -5.00 119.30 116.59 1qpq s MET 244 Ca 0.48 -0.37 0.02 0.00 -1.71 0.00 0.00 55.69 54.12 1qpq s MET 244 Cb -0.29 -2.93 -0.03 0.00 2.01 0.00 0.00 34.83 33.58 1qpq s MET 244 CO 0.35 0.70 -0.10 -0.51 -0.01 0.00 0.00 175.02 175.46 1qpq s LEU 245 N -1.32 3.01 -0.06 -0.03 1.02 -1.26 -0.61 118.68 119.43 1qpq s LEU 245 Ca 0.18 -0.12 -0.01 0.00 0.02 0.00 0.00 54.13 54.20 1qpq s LEU 245 Cb -0.12 -1.66 0.03 0.00 0.02 0.00 0.00 46.19 44.46 1qpq s LEU 245 CO 0.08 0.34 0.01 -0.70 0.02 0.00 0.00 176.35 176.10 1qpq s GLU 246 N -0.94 0.48 0.03 1.70 2.12 -0.49 -1.39 118.70 120.22 1qpq s GLU 246 Ca 0.13 0.14 -0.25 0.00 0.36 0.00 0.00 54.97 55.35 1qpq s GLU 246 Cb -0.11 -0.84 -0.05 0.00 0.26 0.00 0.00 34.13 33.39 1qpq s GLU 246 CO 0.03 -0.28 0.75 -1.12 -0.54 0.00 0.00 175.26 174.10 1qpq s SER 247 N 1.84 7.17 -0.11 -1.70 0.01 -0.31 -0.31 113.70 120.29 1qpq s SER 247 Ca 0.02 1.40 -0.09 0.00 1.31 0.00 0.00 55.95 58.60 1qpq s SER 247 Cb -0.12 -2.46 0.03 0.00 0.21 0.00 0.00 66.02 63.68 1qpq s SER 247 CO -0.04 -0.00 0.29 -0.55 0.41 0.00 0.00 173.24 173.34 1qpq s SER 248 N 0.06 -0.30 0.00 2.44 0.15 -0.95 -0.20 113.70 114.90 1qpq s SER 248 Ca 0.38 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.62 1qpq s SER 248 Cb -0.20 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 1qpq s SER 248 CO 0.22 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.16 1qpq n GLY 249 N 3.18 0.68 2.44 9.45 0.00 -1.26 -0.65 105.19 119.03 1qpq n GLY 249 Ca -0.15 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 44.90 1qpq n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qpq n GLY 250 N 0.00 4.72 3.82 -0.02 0.00 -1.26 -4.91 105.19 107.54 1qpq n GLY 250 Ca 0.00 -1.78 -0.36 0.00 0.00 0.00 0.00 46.02 43.87 1qpq n GLY 250 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qpq s LEU 251 N -0.76 4.32 0.08 0.99 1.02 -1.26 -5.03 118.68 118.03 1qpq s LEU 251 Ca 0.60 0.39 0.03 0.00 0.02 0.00 0.00 54.13 55.16 1qpq s LEU 251 Cb 0.18 -2.09 -0.03 0.00 0.02 0.00 0.00 46.19 44.26 1qpq s LEU 251 CO -0.07 0.31 -0.08 -0.94 0.02 0.00 0.00 176.35 175.59 1qpq s SER 252 N -0.47 1.13 0.47 2.29 1.04 -1.26 -5.03 113.70 111.88 1qpq s SER 252 Ca 0.13 -0.77 0.13 0.00 0.48 0.00 0.00 55.95 55.92 1qpq s SER 252 Cb -0.12 0.04 1.10 0.00 0.10 0.00 0.00 66.02 67.15 1qpq s SER 252 CO 0.02 -0.30 2.09 0.25 0.98 0.00 0.00 173.24 176.29 1qpq h LEU 253 N 3.76 0.21 -1.05 2.42 5.85 -2.00 -0.05 115.31 124.45 1qpq h LEU 253 Ca -0.36 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.28 1qpq h LEU 253 Cb 1.19 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1qpq h LEU 253 CO 0.51 0.15 -0.37 1.56 -0.34 0.00 0.00 178.44 179.96 1qpq h GLN 254 N 0.25 0.00 -0.00 1.25 1.08 -2.01 -3.09 115.11 112.58 1qpq h GLN 254 Ca 0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 1qpq h GLN 254 Cb 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 1qpq h GLN 254 CO -0.02 0.37 -0.79 0.25 -0.95 0.00 0.00 178.83 177.68 1qpq n THR 255 N -3.62 0.00 -0.22 -0.54 -2.24 -0.27 -4.67 114.28 102.72 1qpq n THR 255 Ca -0.01 -0.07 0.01 0.00 -2.27 0.00 0.00 64.05 61.71 1qpq n THR 255 Cb 0.48 0.98 0.09 0.00 -2.10 0.00 0.00 70.33 69.77 1qpq n THR 255 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qpq h ALA 256 N 3.25 0.53 -0.12 6.98 0.00 -0.99 -2.05 119.26 126.86 1qpq h ALA 256 Ca 0.00 0.23 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1qpq h ALA 256 Cb 0.57 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1qpq h ALA 256 CO 0.00 -0.42 -0.39 0.00 0.00 0.00 0.00 179.25 178.45 1qpq h ALA 257 N 1.63 1.12 -0.70 0.00 0.00 -1.81 -1.37 119.26 118.13 1qpq h ALA 257 Ca 0.33 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1qpq h ALA 257 Cb 0.53 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1qpq h ALA 257 CO -0.62 0.58 0.22 1.15 0.00 0.00 0.00 179.25 180.57 1qpq h THR 258 N 0.22 1.26 -0.21 0.00 2.02 -1.70 0.73 112.91 115.23 1qpq h THR 258 Ca 0.02 -0.89 -0.14 0.00 0.77 0.00 0.00 66.41 66.18 1qpq h THR 258 Cb 0.79 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1qpq h THR 258 CO 0.06 0.35 -0.41 1.88 0.37 0.00 0.00 175.52 177.77 1qpq h TYR 259 N 1.02 0.82 -0.83 3.16 0.05 -1.27 -3.19 116.97 116.74 1qpq h TYR 259 Ca 0.22 -0.30 -0.00 0.00 0.05 0.00 0.00 58.73 58.71 1qpq h TYR 259 Cb 0.31 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 37.85 1qpq h TYR 259 CO 0.02 1.06 0.51 0.00 -1.05 0.00 0.00 178.16 178.71 1qpq h ALA 260 N 0.61 1.34 0.00 3.88 0.00 -0.95 -1.71 119.26 122.44 1qpq h ALA 260 Ca 0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1qpq h ALA 260 Cb 1.01 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1qpq h ALA 260 CO 0.09 0.58 -0.05 0.93 0.00 0.00 0.00 179.25 180.79 1qpq h GLU 261 N 1.14 0.00 0.00 0.00 5.08 -0.85 -1.81 114.58 118.15 1qpq h GLU 261 Ca 0.30 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.64 1qpq h GLU 261 Cb -0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1qpq h GLU 261 CO -0.06 0.05 -0.10 1.79 -1.00 0.00 0.00 179.01 179.70 1qpq h THR 262 N 0.00 0.78 0.00 1.13 1.35 -1.29 -3.46 112.91 111.41 1qpq h THR 262 Ca -0.00 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1qpq h THR 262 Cb 0.19 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 1qpq h THR 262 CO 0.01 0.10 0.00 0.61 -0.25 0.00 0.00 175.52 175.98 1qpq n GLY 263 N -1.04 0.95 3.49 5.82 0.00 -0.68 -4.81 105.19 108.92 1qpq n GLY 263 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1qpq n GLY 263 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1qpq n VAL 264 N -0.44 0.88 0.05 1.61 0.24 -1.26 -4.93 118.33 114.47 1qpq n VAL 264 Ca 0.00 -0.25 -0.05 0.00 -2.04 0.00 0.00 64.34 62.00 1qpq n VAL 264 Cb 0.00 -0.77 -0.10 0.00 -1.47 0.00 0.00 33.84 31.50 1qpq n VAL 264 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1qpq h ASP 265 N -1.11 0.00 -5.21 -1.34 3.32 -1.59 -3.36 116.42 107.13 1qpq h ASP 265 Ca -0.44 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.52 1qpq h ASP 265 Cb 1.30 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.73 1qpq h ASP 265 CO 0.39 0.86 -0.29 -0.31 -1.72 0.00 0.00 179.24 178.17 1qpq s TYR 266 N -2.75 0.26 -0.11 4.55 2.02 -1.03 -2.20 117.35 118.09 1qpq s TYR 266 Ca -0.01 -0.64 -0.01 0.00 -0.37 0.00 0.00 57.07 56.05 1qpq s TYR 266 Cb 0.09 0.00 0.03 0.00 -0.40 0.00 0.00 41.96 41.68 1qpq s TYR 266 CO 0.81 -0.70 -0.05 -0.51 -1.57 0.00 0.00 175.55 173.53 1qpq s LEU 267 N -2.93 1.11 -0.42 -1.29 1.02 -0.32 -1.16 118.68 114.70 1qpq s LEU 267 Ca 0.13 -0.32 -0.19 0.00 0.02 0.00 0.00 54.13 53.77 1qpq s LEU 267 Cb 0.03 -0.75 0.02 0.00 0.02 0.00 0.00 46.19 45.51 1qpq s LEU 267 CO -0.03 -0.15 0.53 0.00 0.02 0.00 0.00 176.35 176.71 1qpq s ALA 268 N 1.76 3.40 -0.38 4.21 0.00 0.72 -0.47 121.76 131.01 1qpq s ALA 268 Ca 0.04 -1.32 -0.05 0.00 0.00 0.00 0.00 51.96 50.63 1qpq s ALA 268 Cb -0.13 -3.14 0.08 0.00 0.00 0.00 0.00 23.12 19.93 1qpq s ALA 268 CO -0.07 -1.61 0.17 0.08 0.00 0.00 0.00 175.76 174.33 1qpq s VAL 269 N 2.44 3.58 0.32 0.00 1.01 -0.06 -4.51 120.40 123.19 1qpq s VAL 269 Ca 0.17 -1.61 0.07 0.00 0.00 0.00 0.00 61.98 60.61 1qpq s VAL 269 Cb -0.16 -3.24 0.08 0.00 0.00 0.00 0.00 36.38 33.06 1qpq s VAL 269 CO 0.16 -0.46 1.77 1.23 0.00 0.00 0.00 175.10 177.80 1qpq h GLY 270 N 8.17 0.26 1.96 4.51 0.00 -1.91 -2.82 103.07 113.24 1qpq h GLY 270 Ca -0.19 -0.22 0.01 0.00 0.00 0.00 0.00 47.33 46.93 1qpq h GLY 270 CO 0.67 0.20 0.01 0.00 0.00 0.00 0.00 176.54 177.43 1qpq h ALA 271 N 1.47 1.85 -0.87 3.60 0.00 -1.93 -1.85 119.26 121.53 1qpq h ALA 271 Ca 0.03 -0.00 0.21 0.00 0.00 0.00 0.00 54.91 55.15 1qpq h ALA 271 Cb 0.67 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 1qpq h ALA 271 CO 0.05 -0.02 0.59 -0.07 0.00 0.00 0.00 179.25 179.79 1qpq h LEU 272 N 0.00 0.28 0.00 0.00 4.07 -1.81 -3.29 115.31 114.56 1qpq h LEU 272 Ca 0.01 0.03 -0.05 0.00 0.08 0.00 0.00 57.88 57.95 1qpq h LEU 272 Cb 0.04 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 1qpq h LEU 272 CO -0.00 0.11 -1.22 0.35 -1.08 0.00 0.00 178.44 176.60 1qpq n THR 273 N -4.44 0.17 -3.42 0.22 -2.24 -0.77 -4.72 114.28 99.09 1qpq n THR 273 Ca 0.18 -0.13 -0.21 0.00 -2.27 0.00 0.00 64.05 61.62 1qpq n THR 273 Cb 0.75 -0.54 -0.00 0.00 -2.10 0.00 0.00 70.33 68.44 1qpq n THR 273 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1qpq s HIS 274 N -2.13 3.23 -1.33 4.78 -3.43 -0.80 -4.56 115.29 111.06 1qpq s HIS 274 Ca -0.02 -0.01 -0.03 0.00 -0.80 0.00 0.00 55.06 54.20 1qpq s HIS 274 Cb 0.01 -2.00 0.01 0.00 -1.43 0.00 0.00 32.58 29.18 1qpq s HIS 274 CO 0.15 -0.02 0.81 0.43 -2.00 0.00 0.00 174.74 174.11 1qpq n SER 275 N -1.73 -2.09 -4.89 7.38 7.64 -1.26 -4.43 113.62 114.24 1qpq n SER 275 Ca -0.02 -0.77 -0.34 0.00 1.01 0.00 0.00 58.87 58.75 1qpq n SER 275 Cb 0.58 -4.24 -0.05 0.00 -1.01 0.00 0.00 64.21 59.48 1qpq n SER 275 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1qpq s VAL 276 N -3.55 5.38 -0.19 0.44 -7.23 -1.26 -4.82 120.40 109.17 1qpq s VAL 276 Ca 0.13 -0.09 -0.06 0.00 -1.81 0.00 0.00 61.98 60.14 1qpq s VAL 276 Cb -0.06 -3.47 -0.03 0.00 0.56 0.00 0.00 36.38 33.37 1qpq s VAL 276 CO 0.80 0.40 0.03 -0.60 -0.31 0.00 0.00 175.10 175.41 1qpq s ARG 277 N -1.70 3.78 0.38 4.82 3.52 -1.26 -5.06 118.95 123.43 1qpq s ARG 277 Ca 0.24 -0.44 -0.27 0.00 -0.13 0.00 0.00 55.73 55.12 1qpq s ARG 277 Cb -0.12 -3.13 -0.10 0.00 -1.56 0.00 0.00 34.95 30.03 1qpq s ARG 277 CO 0.15 0.14 1.41 0.54 -0.81 0.00 0.00 175.30 176.73 1qpq s VAL 278 N 0.69 2.27 -0.27 7.11 0.11 -1.26 -4.30 120.40 124.76 1qpq s VAL 278 Ca 0.01 0.26 -0.25 0.00 -2.93 0.00 0.00 61.98 59.07 1qpq s VAL 278 Cb -0.14 -3.16 0.00 0.00 -1.53 0.00 0.00 36.38 31.55 1qpq s VAL 278 CO 0.02 0.06 0.87 -0.22 -3.33 0.00 0.00 175.10 172.49 1qpq s LEU 279 N -2.17 4.07 -0.14 2.54 2.96 -0.61 -4.83 118.68 120.50 1qpq s LEU 279 Ca 0.54 0.98 -0.29 0.00 -0.22 0.00 0.00 54.13 55.13 1qpq s LEU 279 Cb -0.44 -3.23 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 1qpq s LEU 279 CO 0.58 -0.60 1.50 -0.62 -1.32 0.00 0.00 176.35 175.89 1qpq s ASP 280 N 1.43 6.70 -0.01 3.68 2.15 -1.26 -4.49 116.67 124.88 1qpq s ASP 280 Ca 0.36 1.88 0.00 0.00 0.43 0.00 0.00 52.55 55.23 1qpq s ASP 280 Cb -0.15 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.94 1qpq s ASP 280 CO 0.09 -0.94 -0.01 -0.63 -0.17 0.00 0.00 175.17 173.51 1qpq s ILE 281 N 4.10 0.13 0.25 4.11 1.01 -1.26 -0.13 121.20 129.41 1qpq s ILE 281 Ca 0.66 -0.04 0.09 0.00 0.00 0.00 0.00 60.65 61.36 1qpq s ILE 281 Cb -0.27 -0.14 -0.05 0.00 0.01 0.00 0.00 42.46 42.01 1qpq s ILE 281 CO 0.24 0.05 -0.13 -0.83 0.00 0.00 0.00 174.94 174.27 1qpq s GLY 282 N 0.16 1.67 -0.39 6.18 0.00 0.14 -4.93 107.32 110.15 1qpq s GLY 282 Ca -0.01 -1.79 -0.13 0.00 0.00 0.00 0.00 44.72 42.78 1qpq s GLY 282 CO -0.00 -1.84 0.26 -2.27 0.00 0.00 0.00 173.10 169.24 1qpq s LEU 283 N -3.41 4.93 -0.23 0.66 2.96 -1.26 -0.48 118.68 121.86 1qpq s LEU 283 Ca 0.26 -0.94 -0.08 0.00 -0.22 0.00 0.00 54.13 53.15 1qpq s LEU 283 Cb -0.00 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 1qpq s LEU 283 CO 0.10 -0.42 0.10 -1.81 -1.32 0.00 0.00 176.35 173.01 1qpq s ASP 284 N 1.62 5.59 0.00 3.68 1.01 0.97 -4.92 116.67 124.62 1qpq s ASP 284 Ca 0.04 -0.03 0.07 0.00 0.71 0.00 0.00 52.55 53.34 1qpq s ASP 284 Cb -0.19 -2.00 0.05 0.00 1.01 0.00 0.00 42.92 41.80 1qpq s ASP 284 CO 0.09 0.05 0.72 0.23 0.21 0.00 0.00 175.17 176.46