#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qbk n GLU 4 N 0.00 0.00 -0.68 -3.48 1.02 -1.26 -4.38 120.64 111.86 1qbk n GLU 4 Ca 0.00 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 1qbk n GLU 4 Cb 0.00 -0.67 0.25 0.00 -0.02 0.00 0.00 31.44 31.00 1qbk n GLU 4 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 1qbk n TRP 5 N -1.26 1.62 0.01 -0.32 4.27 -1.26 -4.05 117.44 116.45 1qbk n TRP 5 Ca 0.00 -0.71 -0.12 0.00 -3.89 0.00 0.00 57.50 52.78 1qbk n TRP 5 Cb 0.00 -0.47 -0.14 0.00 -1.36 0.00 0.00 31.31 29.34 1qbk n TRP 5 CO 0.00 0.00 0.00 -0.22 -2.29 0.00 0.00 177.69 175.18 1qbk h LYS 6 N 2.34 0.10 -0.00 -2.67 1.63 -2.00 -2.72 116.57 113.24 1qbk h LYS 6 Ca 0.10 -0.16 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 1qbk h LYS 6 Cb 1.71 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 33.40 1qbk h LYS 6 CO 0.44 0.82 -0.10 -0.35 -3.45 0.00 0.00 179.45 176.80 1qbk n PRO 7 N -3.25 0.20 -0.04 1.90 -0.04 -1.26 -3.39 135.00 129.13 1qbk n PRO 7 Ca -0.16 -0.04 -0.22 0.00 -0.04 0.00 0.00 63.50 63.04 1qbk n PRO 7 Cb 1.03 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.86 1qbk n PRO 7 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1qbk n ASP 8 N -1.36 2.04 0.25 3.54 8.00 -1.24 -4.17 116.55 123.61 1qbk n ASP 8 Ca 0.09 0.23 0.10 0.00 0.71 0.00 0.00 54.79 55.92 1qbk n ASP 8 Cb 0.31 -0.84 0.67 0.00 -0.02 0.00 0.00 41.12 41.24 1qbk n ASP 8 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1qbk h GLU 9 N -0.23 0.00 -0.91 -1.24 -0.00 -1.54 0.21 114.58 110.87 1qbk h GLU 9 Ca -0.44 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 58.92 1qbk h GLU 9 Cb 1.84 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 30.58 1qbk h GLU 9 CO -0.02 0.13 0.00 1.04 -0.00 0.00 0.00 179.01 180.16 1qbk n GLN 10 N -3.88 1.89 -0.02 1.06 6.02 -1.22 -2.32 117.38 118.92 1qbk n GLN 10 Ca -0.02 -0.73 0.03 0.00 -0.01 0.00 0.00 57.00 56.27 1qbk n GLN 10 Cb 0.23 -1.67 -0.08 0.00 1.02 0.00 0.00 30.24 29.73 1qbk n GLN 10 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qbk n GLY 11 N 0.14 -0.48 0.13 1.08 0.00 0.73 -4.29 105.19 102.50 1qbk n GLY 11 Ca 0.06 -0.23 0.03 0.00 0.00 0.00 0.00 46.02 45.88 1qbk n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qbk h LEU 12 N 0.00 0.00 -0.27 0.99 3.38 -1.49 -0.87 115.31 117.05 1qbk h LEU 12 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1qbk h LEU 12 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1qbk h LEU 12 CO 0.00 0.47 0.00 1.67 0.09 0.00 0.00 178.44 180.68 1qbk n GLN 13 N -3.12 0.11 -0.10 1.13 -0.06 -1.21 -1.45 117.38 112.67 1qbk n GLN 13 Ca -0.01 0.28 -0.13 0.00 -2.00 0.00 0.00 57.00 55.15 1qbk n GLN 13 Cb 0.74 -1.68 -0.12 0.00 -4.06 0.00 0.00 30.24 25.12 1qbk n GLN 13 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 1qbk n GLN 14 N -1.87 0.81 0.14 3.69 -0.06 -0.97 -4.03 117.38 115.08 1qbk n GLN 14 Ca 0.04 0.07 0.13 0.00 -2.00 0.00 0.00 57.00 55.23 1qbk n GLN 14 Cb 0.24 -1.46 0.41 0.00 -4.06 0.00 0.00 30.24 25.38 1qbk n GLN 14 CO 0.00 0.00 0.00 0.97 -0.20 0.00 0.00 177.06 177.83 1qbk h ILE 15 N 0.00 0.00 0.00 1.69 2.10 -0.98 -2.50 117.51 117.82 1qbk h ILE 15 Ca -0.50 -0.50 0.00 0.00 1.08 0.00 0.00 64.86 64.94 1qbk h ILE 15 Cb 1.94 1.44 0.00 0.00 -1.09 0.00 0.00 36.82 39.10 1qbk h ILE 15 CO -0.03 0.00 -0.61 0.18 -1.08 0.00 0.00 178.15 176.61 1qbk n LEU 16 N -2.44 0.66 -0.51 2.19 4.32 -0.53 -1.14 117.00 119.56 1qbk n LEU 16 Ca 0.04 0.20 0.08 0.00 -0.02 0.00 0.00 56.01 56.32 1qbk n LEU 16 Cb 0.39 -0.19 0.30 0.00 -1.62 0.00 0.00 43.42 42.30 1qbk n LEU 16 CO 0.28 -0.03 0.72 0.00 -1.22 0.00 0.00 177.39 177.14 1qbk n GLN 17 N -2.03 1.66 0.00 3.23 6.02 -0.94 -2.52 117.38 122.79 1qbk n GLN 17 Ca 0.04 -1.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.02 1qbk n GLN 17 Cb 0.43 -1.33 0.00 0.00 1.02 0.00 0.00 30.24 30.36 1qbk n GLN 17 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1qbk n LEU 18 N 0.26 1.81 0.04 1.08 4.77 -1.21 -4.54 117.00 119.22 1qbk n LEU 18 Ca 0.14 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.10 1qbk n LEU 18 Cb 0.28 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.36 1qbk n LEU 18 CO 0.10 0.30 0.49 0.25 -1.33 0.00 0.00 177.39 177.21 1qbk h LEU 19 N 0.00 -0.09 0.00 2.23 5.85 -1.21 -2.11 115.31 119.98 1qbk h LEU 19 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1qbk h LEU 19 Cb 0.62 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.67 1qbk h LEU 19 CO 0.00 -0.07 0.00 1.17 -0.34 0.00 0.00 178.44 179.20 1qbk n LYS 20 N -2.30 0.00 -2.00 1.25 4.81 -1.05 -2.09 118.16 116.79 1qbk n LYS 20 Ca -0.01 0.83 -0.42 0.00 -0.87 0.00 0.00 58.31 57.83 1qbk n LYS 20 Cb 0.04 -1.36 0.00 0.00 0.02 0.00 0.00 35.03 33.73 1qbk n LYS 20 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1qbk n GLU 21 N -2.39 3.05 -3.43 1.64 4.71 -1.24 -4.96 120.64 118.02 1qbk n GLU 21 Ca 0.00 -2.90 -0.33 0.00 -0.01 0.00 0.00 57.16 53.92 1qbk n GLU 21 Cb 0.00 -3.25 -0.05 0.00 -1.01 0.00 0.00 31.44 27.13 1qbk n GLU 21 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1qbk s SER 22 N 2.93 6.67 0.23 1.62 0.15 -0.80 -4.54 113.70 119.97 1qbk s SER 22 Ca 0.47 0.93 -0.10 0.00 0.70 0.00 0.00 55.95 57.94 1qbk s SER 22 Cb 0.11 -2.23 -0.01 0.00 -1.71 0.00 0.00 66.02 62.18 1qbk s SER 22 CO -0.05 0.01 0.40 -1.58 1.20 0.00 0.00 173.24 173.22 1qbk s GLN 23 N -2.48 1.46 0.17 5.44 2.00 -1.26 -4.99 119.66 120.00 1qbk s GLN 23 Ca 0.43 -1.32 -0.18 0.00 -2.00 0.00 0.00 55.36 52.29 1qbk s GLN 23 Cb -0.13 0.43 0.11 0.00 0.80 0.00 0.00 33.01 34.22 1qbk s GLN 23 CO 0.20 -0.58 1.26 0.43 -0.50 0.00 0.00 175.29 176.10 1qbk n SER 24 N -0.35 -0.64 0.25 6.67 7.64 -1.26 0.37 113.62 126.30 1qbk n SER 24 Ca -0.01 1.43 -0.11 0.00 1.01 0.00 0.00 58.87 61.19 1qbk n SER 24 Cb 0.63 -0.28 -0.05 0.00 -1.01 0.00 0.00 64.21 63.49 1qbk n SER 24 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1qbk h PRO 25 N 0.00 -0.66 -1.24 1.43 0.11 -2.00 -2.54 132.00 127.10 1qbk h PRO 25 Ca 0.23 0.04 0.38 0.00 0.11 0.00 0.00 66.00 66.77 1qbk h PRO 25 Cb 0.44 0.15 -0.11 0.00 0.11 0.00 0.00 31.00 31.59 1qbk h PRO 25 CO -0.79 -0.44 0.81 -0.44 -0.21 0.00 0.00 178.00 176.93 1qbk h ASP 26 N -0.68 0.28 0.00 -2.05 5.19 -1.73 -1.23 116.42 116.20 1qbk h ASP 26 Ca -0.06 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1qbk h ASP 26 Cb 0.54 0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.12 1qbk h ASP 26 CO 0.08 -0.07 0.00 0.41 -3.12 0.00 0.00 179.24 176.53 1qbk n THR 27 N -4.60 0.00 0.00 0.35 -1.04 0.16 0.11 114.28 109.25 1qbk n THR 27 Ca 0.33 0.15 0.00 0.00 -2.04 0.00 0.00 64.05 62.49 1qbk n THR 27 Cb 1.26 -1.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.77 1qbk n THR 27 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1qbk n THR 28 N 0.00 0.79 -0.11 12.58 -2.24 -1.17 -1.67 114.28 122.46 1qbk n THR 28 Ca 0.00 0.36 -0.24 0.00 -2.27 0.00 0.00 64.05 61.90 1qbk n THR 28 Cb 0.00 -1.36 -0.08 0.00 -2.10 0.00 0.00 70.33 66.79 1qbk n THR 28 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1qbk n ILE 29 N -1.14 1.31 0.29 2.28 5.41 -0.47 -4.45 119.36 122.59 1qbk n ILE 29 Ca 0.00 -0.29 0.17 0.00 1.00 0.00 0.00 62.75 63.63 1qbk n ILE 29 Cb 0.16 -1.85 0.83 0.00 -0.71 0.00 0.00 39.64 38.07 1qbk n ILE 29 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1qbk h GLN 30 N -0.85 0.00 0.00 0.38 4.15 0.13 -2.47 115.11 116.46 1qbk h GLN 30 Ca -0.56 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.86 1qbk h GLN 30 Cb 1.47 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.16 1qbk h GLN 30 CO -0.34 0.04 0.00 0.54 -1.93 0.00 0.00 178.83 177.14 1qbk n ARG 31 N -3.22 0.02 -0.11 1.69 5.12 -0.67 -1.87 116.66 117.62 1qbk n ARG 31 Ca -0.01 0.38 -0.22 0.00 -1.93 0.00 0.00 57.85 56.07 1qbk n ARG 31 Cb 0.23 -1.50 -0.11 0.00 -1.16 0.00 0.00 32.46 29.93 1qbk n ARG 31 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1qbk n THR 32 N -1.45 1.53 0.07 0.55 -1.04 -0.93 -3.55 114.28 109.46 1qbk n THR 32 Ca 0.01 -0.04 0.04 0.00 -2.04 0.00 0.00 64.05 62.02 1qbk n THR 32 Cb 0.05 -2.05 0.44 0.00 -1.82 0.00 0.00 70.33 66.96 1qbk n THR 32 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1qbk h VAL 33 N -1.00 1.11 0.00 12.58 2.07 -1.60 -1.58 116.25 127.83 1qbk h VAL 33 Ca -0.36 -0.35 -0.08 0.00 0.82 0.00 0.00 66.70 66.74 1qbk h VAL 33 Cb 1.29 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1qbk h VAL 33 CO -0.22 0.13 -0.36 0.06 0.02 0.00 0.00 177.57 177.20 1qbk h GLN 34 N 0.38 0.00 -0.29 1.57 3.07 -1.55 -3.20 115.11 115.09 1qbk h GLN 34 Ca 0.10 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.75 1qbk h GLN 34 Cb 0.09 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.60 1qbk h GLN 34 CO -0.01 0.36 -0.02 1.04 0.09 0.00 0.00 178.83 180.29 1qbk n GLN 35 N -3.36 2.33 0.00 0.06 6.02 -0.68 -4.22 117.38 117.52 1qbk n GLN 35 Ca 0.01 -2.97 0.00 0.00 -0.01 0.00 0.00 57.00 54.03 1qbk n GLN 35 Cb 0.56 -1.81 0.00 0.00 1.02 0.00 0.00 30.24 30.01 1qbk n GLN 35 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1qbk n LYS 36 N -0.85 5.02 -0.56 -1.09 2.85 -0.70 -4.57 118.16 118.26 1qbk n LYS 36 Ca 0.26 -0.02 0.08 0.00 -1.05 0.00 0.00 58.31 57.58 1qbk n LYS 36 Cb 0.95 -0.40 0.31 0.00 -0.65 0.00 0.00 35.03 35.24 1qbk n LYS 36 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1qbk n LEU 37 N -0.72 4.24 -0.68 -5.58 4.77 -1.21 -3.66 117.00 114.15 1qbk n LEU 37 Ca 0.00 -2.14 0.06 0.00 -0.03 0.00 0.00 56.01 53.90 1qbk n LEU 37 Cb 0.00 -0.55 0.17 0.00 -2.33 0.00 0.00 43.42 40.71 1qbk n LEU 37 CO 0.00 0.67 0.64 -0.62 -1.33 0.00 0.00 177.39 176.76 1qbk n GLU 38 N 0.85 2.89 -0.08 3.23 1.02 -1.26 -4.54 120.64 122.75 1qbk n GLU 38 Ca 0.22 -2.17 -0.17 0.00 -0.02 0.00 0.00 57.16 55.03 1qbk n GLU 38 Cb 0.82 -1.35 -0.06 0.00 -0.02 0.00 0.00 31.44 30.83 1qbk n GLU 38 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1qbk n GLN 39 N 0.39 0.33 -2.19 3.49 6.02 -1.24 -4.69 117.38 119.49 1qbk n GLN 39 Ca 0.13 0.14 -0.42 0.00 -0.01 0.00 0.00 57.00 56.84 1qbk n GLN 39 Cb 0.49 -1.06 0.00 0.00 1.02 0.00 0.00 30.24 30.70 1qbk n GLN 39 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 1qbk n LEU 40 N -3.69 6.89 -1.12 1.08 -0.00 -1.26 -4.82 117.00 114.08 1qbk n LEU 40 Ca -0.31 -4.59 0.00 0.00 -0.00 0.00 0.00 56.01 51.11 1qbk n LEU 40 Cb 0.72 -1.49 0.00 0.00 -0.00 0.00 0.00 43.42 42.65 1qbk n LEU 40 CO 0.02 1.43 0.38 0.59 -0.00 0.00 0.00 177.39 179.81 1qbk n ASN 41 N 3.95 2.22 -1.09 1.45 3.02 -1.26 -3.46 115.26 120.09 1qbk n ASN 41 Ca 0.45 -1.41 0.12 0.00 -0.03 0.00 0.00 54.58 53.71 1qbk n ASN 41 Cb 0.35 -0.40 0.22 0.00 -0.61 0.00 0.00 39.78 39.34 1qbk n ASN 41 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1qbk n GLN 42 N 0.85 2.43 0.00 3.52 -0.06 -1.26 -4.39 117.38 118.47 1qbk n GLN 42 Ca 0.00 -2.15 0.00 0.00 -2.00 0.00 0.00 57.00 52.85 1qbk n GLN 42 Cb 0.33 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 25.00 1qbk n GLN 42 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 1qbk n TYR 43 N 1.39 0.00 -0.07 3.69 4.02 -1.22 -4.78 117.16 120.18 1qbk n TYR 43 Ca 0.19 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 58.04 1qbk n TYR 43 Cb 0.59 0.00 0.18 0.00 -0.02 0.00 0.00 39.34 40.09 1qbk n TYR 43 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1qbk h PRO 44 N 0.00 0.71 0.00 -0.72 0.13 -1.79 2.66 132.00 132.99 1qbk h PRO 44 Ca 0.00 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1qbk h PRO 44 Cb 0.68 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.74 1qbk h PRO 44 CO 0.00 0.76 0.00 -0.40 -0.23 0.00 0.00 178.00 178.13 1qbk n ASP 45 N -4.20 0.26 -0.03 1.44 5.68 -1.26 -2.96 116.55 115.48 1qbk n ASP 45 Ca 0.02 0.60 -0.06 0.00 -0.50 0.00 0.00 54.79 54.85 1qbk n ASP 45 Cb 0.32 -0.64 -0.02 0.00 -1.14 0.00 0.00 41.12 39.63 1qbk n ASP 45 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 1qbk n PHE 46 N -1.83 0.00 -0.11 2.11 7.35 -0.61 -4.69 117.46 119.69 1qbk n PHE 46 Ca 0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.70 1qbk n PHE 46 Cb 0.08 -0.22 0.00 0.00 0.35 0.00 0.00 39.48 39.69 1qbk n PHE 46 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1qbk n ASN 47 N -3.17 2.08 0.00 -2.13 4.13 0.88 -2.35 115.26 114.71 1qbk n ASN 47 Ca -0.12 -1.47 0.00 0.00 1.68 0.00 0.00 54.58 54.67 1qbk n ASN 47 Cb 0.59 -0.43 0.00 0.00 -1.54 0.00 0.00 39.78 38.40 1qbk n ASN 47 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1qbk n ASN 48 N 1.64 1.58 0.10 6.41 0.23 -1.20 -4.68 115.26 119.34 1qbk n ASN 48 Ca 0.00 0.00 0.02 0.00 -0.53 0.00 0.00 54.58 54.07 1qbk n ASN 48 Cb 0.21 0.00 0.10 0.00 -2.08 0.00 0.00 39.78 38.01 1qbk n ASN 48 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1qbk n TYR 49 N -2.47 0.12 0.00 -2.53 9.36 -0.99 -3.82 117.16 116.84 1qbk n TYR 49 Ca 0.00 0.07 0.00 0.00 3.32 0.00 0.00 57.90 61.29 1qbk n TYR 49 Cb 0.34 -0.24 0.00 0.00 -0.63 0.00 0.00 39.34 38.81 1qbk n TYR 49 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1qbk n LEU 50 N -1.59 0.00 -0.13 2.98 4.77 -1.26 -3.78 117.00 117.99 1qbk n LEU 50 Ca -0.00 -0.42 -0.24 0.00 -0.03 0.00 0.00 56.01 55.32 1qbk n LEU 50 Cb 0.48 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 1qbk n LEU 50 CO 0.02 -0.44 -1.35 -0.38 -1.33 0.00 0.00 177.39 173.90 1qbk n ILE 51 N 2.77 1.40 -0.82 -0.08 -0.00 -1.25 -3.52 119.36 117.87 1qbk n ILE 51 Ca 0.00 -0.41 0.08 0.00 -0.00 0.00 0.00 62.75 62.41 1qbk n ILE 51 Cb 0.00 -1.69 0.25 0.00 -0.00 0.00 0.00 39.64 38.20 1qbk n ILE 51 CO 0.00 0.00 0.00 2.22 -0.00 0.00 0.00 176.55 178.77 1qbk n PHE 52 N -3.84 0.92 -0.05 1.39 1.16 -1.25 -3.42 117.46 112.38 1qbk n PHE 52 Ca -0.48 -0.79 -0.09 0.00 -1.87 0.00 0.00 57.45 54.22 1qbk n PHE 52 Cb 0.89 -0.27 -0.04 0.00 -1.61 0.00 0.00 39.48 38.46 1qbk n PHE 52 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 1qbk n VAL 53 N -0.20 0.51 0.04 1.97 0.31 -1.26 -4.14 118.33 115.56 1qbk n VAL 53 Ca 0.20 -0.15 -0.21 0.00 -0.01 0.00 0.00 64.34 64.17 1qbk n VAL 53 Cb 0.82 -1.38 -0.14 0.00 -0.91 0.00 0.00 33.84 32.23 1qbk n VAL 53 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1qbk h LEU 54 N -0.23 0.48 0.51 7.52 3.38 -1.76 -3.07 115.31 122.13 1qbk h LEU 54 Ca -0.23 -0.86 -0.02 0.00 0.09 0.00 0.00 57.88 56.86 1qbk h LEU 54 Cb 1.24 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1qbk h LEU 54 CO -0.11 1.75 -0.24 0.74 0.09 0.00 0.00 178.44 180.67 1qbk h THR 55 N 0.08 0.48 -0.15 0.22 2.02 -1.76 -2.10 112.91 111.71 1qbk h THR 55 Ca -0.37 -0.19 -0.68 0.00 0.77 0.00 0.00 66.41 65.94 1qbk h THR 55 Cb 2.06 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 69.03 1qbk h THR 55 CO 0.13 0.03 3.61 0.29 0.37 0.00 0.00 175.52 179.96 1qbk n LYS 56 N -5.34 3.73 0.08 6.66 4.76 -1.25 -3.70 118.16 123.10 1qbk n LYS 56 Ca -0.12 -2.40 0.00 0.00 -2.87 0.00 0.00 58.31 52.93 1qbk n LYS 56 Cb 0.31 -2.83 0.00 0.00 -1.84 0.00 0.00 35.03 30.66 1qbk n LYS 56 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1qbk n LEU 57 N 3.62 -1.32 0.00 -0.35 -0.00 -0.89 -4.44 117.00 113.62 1qbk n LEU 57 Ca 0.74 0.32 0.00 0.00 -0.00 0.00 0.00 56.01 57.07 1qbk n LEU 57 Cb 0.25 1.48 0.00 0.00 -0.00 0.00 0.00 43.42 45.15 1qbk n LEU 57 CO 0.84 -0.28 0.00 0.29 -0.00 0.00 0.00 177.39 178.25 1qbk n LYS 58 N -2.87 0.00 0.00 1.96 4.76 -0.84 -5.06 118.16 116.11 1qbk n LYS 58 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1qbk n LYS 58 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1qbk n LYS 58 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1qbk n SER 59 N -0.64 -0.18 0.14 4.39 7.64 -1.26 -5.00 113.62 118.71 1qbk n SER 59 Ca 0.00 -0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.66 1qbk n SER 59 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1qbk n SER 59 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1qbk n GLU 60 N -0.40 0.00 -0.02 1.43 4.07 -1.26 -4.45 120.64 120.00 1qbk n GLU 60 Ca 0.00 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 57.05 1qbk n GLU 60 Cb 0.00 0.00 0.15 0.00 -0.06 0.00 0.00 31.44 31.53 1qbk n GLU 60 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 1qbk h ASP 61 N 0.00 0.60 -0.05 4.31 1.82 -1.98 -2.28 116.42 118.83 1qbk h ASP 61 Ca 0.00 -0.21 -0.03 0.00 -0.39 0.00 0.00 57.03 56.40 1qbk h ASP 61 Cb 0.00 -0.16 -0.00 0.00 0.68 0.00 0.00 39.33 39.85 1qbk h ASP 61 CO 0.00 0.84 -0.07 -0.08 -1.61 0.00 0.00 179.24 178.31 1qbk h GLU 62 N 0.51 0.15 -0.29 0.28 4.81 -1.92 -3.05 114.58 115.06 1qbk h GLU 62 Ca 0.07 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1qbk h GLU 62 Cb 0.71 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 1qbk h GLU 62 CO 0.05 0.63 0.18 -1.35 -0.73 0.00 0.00 179.01 177.79 1qbk h PRO 63 N -0.33 0.39 0.00 0.92 0.11 -1.84 -0.44 132.00 130.81 1qbk h PRO 63 Ca 0.01 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1qbk h PRO 63 Cb 0.61 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1qbk h PRO 63 CO 0.02 0.29 0.22 1.79 -0.21 0.00 0.00 178.00 180.11 1qbk h THR 64 N 0.37 0.00 -0.23 -1.15 1.35 -1.47 0.65 112.91 112.43 1qbk h THR 64 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.96 1qbk h THR 64 Cb 0.00 0.73 0.00 0.00 -1.73 0.00 0.00 68.15 67.15 1qbk h THR 64 CO -0.02 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.79 1qbk n ARG 65 N -2.86 1.55 0.00 4.72 1.74 -0.18 -1.22 116.66 120.42 1qbk n ARG 65 Ca -0.02 -0.85 0.00 0.00 -0.77 0.00 0.00 57.85 56.20 1qbk n ARG 65 Cb 0.27 -1.20 0.00 0.00 -1.02 0.00 0.00 32.46 30.51 1qbk n ARG 65 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1qbk n SER 66 N 0.18 0.00 0.12 0.55 3.41 0.84 -2.91 113.62 115.82 1qbk n SER 66 Ca 0.09 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.71 1qbk n SER 66 Cb 0.21 0.00 0.35 0.00 -0.26 0.00 0.00 64.21 64.51 1qbk n SER 66 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 1qbk h LEU 67 N 0.00 0.19 0.00 1.04 8.10 -0.04 -1.77 115.31 122.84 1qbk h LEU 67 Ca 0.00 -0.05 -0.12 0.00 0.11 0.00 0.00 57.88 57.82 1qbk h LEU 67 Cb 0.00 -0.05 -0.02 0.00 -0.44 0.00 0.00 40.66 40.15 1qbk h LEU 67 CO 0.00 0.43 -1.46 -1.20 -4.11 0.00 0.00 178.44 172.10 1qbk n SER 68 N -4.20 3.30 0.00 0.17 7.64 -0.52 -4.70 113.62 115.31 1qbk n SER 68 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1qbk n SER 68 Cb 0.33 0.72 0.00 0.00 -1.01 0.00 0.00 64.21 64.25 1qbk n SER 68 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qbk n GLY 69 N 2.54 -1.34 0.17 0.23 0.00 -0.35 -4.17 105.19 102.26 1qbk n GLY 69 Ca -0.10 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 45.87 1qbk n GLY 69 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qbk n LEU 70 N 0.00 0.06 -0.19 0.99 4.77 -1.14 -1.49 117.00 119.99 1qbk n LEU 70 Ca 0.00 0.46 -0.09 0.00 -0.03 0.00 0.00 56.01 56.35 1qbk n LEU 70 Cb 0.00 -0.23 -0.07 0.00 -2.33 0.00 0.00 43.42 40.79 1qbk n LEU 70 CO 0.00 -0.49 0.49 -0.29 -1.33 0.00 0.00 177.39 175.77 1qbk h ILE 71 N 0.00 0.00 -0.56 -0.08 2.10 -1.54 0.20 117.51 117.63 1qbk h ILE 71 Ca 0.30 0.00 0.16 0.00 1.08 0.00 0.00 64.86 66.40 1qbk h ILE 71 Cb 0.99 0.00 -0.02 0.00 -1.09 0.00 0.00 36.82 36.70 1qbk h ILE 71 CO -0.14 0.00 0.79 -0.07 -1.08 0.00 0.00 178.15 177.65 1qbk h LEU 72 N -0.16 0.00 0.00 2.19 3.38 -1.43 0.39 115.31 119.69 1qbk h LEU 72 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1qbk h LEU 72 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1qbk h LEU 72 CO -0.55 0.00 0.00 1.17 0.09 0.00 0.00 178.44 179.15 1qbk n LYS 73 N -3.29 0.38 0.07 1.13 0.00 0.70 -2.04 118.16 115.09 1qbk n LYS 73 Ca 0.12 0.07 0.11 0.00 0.00 0.00 0.00 58.31 58.61 1qbk n LYS 73 Cb 0.98 -1.50 -0.04 0.00 0.00 0.00 0.00 35.03 34.47 1qbk n LYS 73 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1qbk n ASN 74 N -1.19 0.61 -0.35 3.14 3.02 0.14 -3.58 115.26 117.05 1qbk n ASN 74 Ca 0.11 0.21 -0.03 0.00 -0.03 0.00 0.00 54.58 54.83 1qbk n ASN 74 Cb 0.12 0.87 0.10 0.00 -0.61 0.00 0.00 39.78 40.25 1qbk n ASN 74 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 1qbk h ASN 75 N 0.00 1.11 -0.06 6.41 -0.26 -1.56 0.24 115.58 121.46 1qbk h ASN 75 Ca 0.00 -0.06 0.02 0.00 -0.56 0.00 0.00 56.30 55.70 1qbk h ASN 75 Cb 0.98 -0.28 -0.00 0.00 -1.06 0.00 0.00 38.32 37.96 1qbk h ASN 75 CO 0.00 0.84 0.06 0.58 -1.06 0.00 0.00 177.43 177.85 1qbk h VAL 76 N 1.29 0.62 -0.00 2.81 2.07 -1.69 1.23 116.25 122.58 1qbk h VAL 76 Ca 0.34 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.86 1qbk h VAL 76 Cb -0.08 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1qbk h VAL 76 CO -0.07 0.00 -0.27 0.29 0.02 0.00 0.00 177.57 177.55 1qbk n LYS 77 N -4.00 0.18 -0.04 1.57 5.02 0.77 -2.02 118.16 119.64 1qbk n LYS 77 Ca -0.01 -0.07 -0.04 0.00 -2.02 0.00 0.00 58.31 56.16 1qbk n LYS 77 Cb 0.16 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.62 1qbk n LYS 77 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qbk n ALA 78 N -1.35 1.83 0.15 7.82 0.00 0.59 -4.40 120.51 125.15 1qbk n ALA 78 Ca 0.08 -0.45 -0.13 0.00 0.00 0.00 0.00 53.44 52.95 1qbk n ALA 78 Cb 0.33 0.13 -0.08 0.00 0.00 0.00 0.00 19.45 19.83 1qbk n ALA 78 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1qbk h HIS 79 N 0.00 -0.39 -2.06 0.00 3.86 0.12 -3.18 115.15 113.51 1qbk h HIS 79 Ca -0.19 -0.01 -0.71 0.00 -1.16 0.00 0.00 60.37 58.30 1qbk h HIS 79 Cb 1.41 0.13 -0.16 0.00 1.06 0.00 0.00 27.41 29.85 1qbk h HIS 79 CO 0.00 -0.05 1.30 -0.06 0.86 0.00 0.00 177.93 179.99 1qbk s PHE 80 N -4.32 3.29 0.00 2.45 0.40 -0.86 -3.61 117.98 115.33 1qbk s PHE 80 Ca -0.13 -1.83 0.00 0.00 -0.60 0.00 0.00 56.93 54.37 1qbk s PHE 80 Cb 0.02 -4.37 0.00 0.00 0.51 0.00 0.00 43.02 39.18 1qbk s PHE 80 CO 0.50 -1.48 0.00 0.94 0.70 0.00 0.00 175.22 175.88 1qbk n GLN 81 N 6.30 0.00 -1.00 0.44 -0.06 -1.25 -4.57 117.38 117.25 1qbk n GLN 81 Ca 0.34 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.34 1qbk n GLN 81 Cb 0.45 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.63 1qbk n GLN 81 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 1qbk n ASN 82 N 0.00 -2.47 0.00 1.69 2.85 -1.20 -3.84 115.26 112.29 1qbk n ASN 82 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1qbk n ASN 82 Cb 0.00 -0.48 0.00 0.00 1.24 0.00 0.00 39.78 40.54 1qbk n ASN 82 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 1qbk n PHE 83 N -2.78 0.00 0.00 1.20 7.35 -1.24 -4.91 117.46 117.09 1qbk n PHE 83 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1qbk n PHE 83 Cb 0.01 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.84 1qbk n PHE 83 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1qbk n PRO 84 N -2.00 0.00 -3.94 -7.13 -0.02 -1.25 -3.16 135.00 117.49 1qbk n PRO 84 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.18 1qbk n PRO 84 Cb 0.00 -1.28 -0.16 0.00 -0.02 0.00 0.00 33.50 32.04 1qbk n PRO 84 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1qbk s ASN 85 N -1.52 3.89 0.00 2.55 2.47 -1.26 -4.75 114.94 116.32 1qbk s ASN 85 Ca 0.00 -1.20 0.00 0.00 0.42 0.00 0.00 52.86 52.08 1qbk s ASN 85 Cb 0.00 -1.19 0.00 0.00 -1.45 0.00 0.00 41.25 38.61 1qbk s ASN 85 CO 0.00 -0.24 0.00 0.61 -3.72 0.00 0.00 177.10 173.75 1qbk n GLY 86 N 4.66 0.61 0.50 1.21 0.00 -1.25 -4.88 105.19 106.04 1qbk n GLY 86 Ca -0.12 -0.33 0.30 0.00 0.00 0.00 0.00 46.02 45.87 1qbk n GLY 86 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1qbk h VAL 87 N 0.00 0.26 -0.34 1.61 2.07 -1.84 -3.44 116.25 114.57 1qbk h VAL 87 Ca 0.00 0.00 -0.28 0.00 0.82 0.00 0.00 66.70 67.24 1qbk h VAL 87 Cb 0.00 0.36 0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1qbk h VAL 87 CO 0.00 0.00 0.06 1.07 0.02 0.00 0.00 177.57 178.72 1qbk n THR 88 N -3.76 0.00 0.95 2.57 5.66 -1.26 -4.85 114.28 113.60 1qbk n THR 88 Ca 0.20 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.32 1qbk n THR 88 Cb 1.16 -0.03 0.31 0.00 -1.55 0.00 0.00 70.33 70.22 1qbk n THR 88 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1qbk n ASP 89 N 0.67 0.43 -0.06 1.09 10.43 -1.26 -2.41 116.55 125.43 1qbk n ASP 89 Ca 0.08 -0.07 -0.16 0.00 2.57 0.00 0.00 54.79 57.20 1qbk n ASP 89 Cb 0.02 0.10 -0.13 0.00 1.84 0.00 0.00 41.12 42.95 1qbk n ASP 89 CO 0.00 0.00 0.00 0.15 -1.07 0.00 0.00 177.20 176.28 1qbk h PHE 90 N 0.00 0.07 -0.25 1.24 3.57 -1.96 0.23 116.94 119.84 1qbk h PHE 90 Ca 0.00 -0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.51 1qbk h PHE 90 Cb 0.53 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1qbk h PHE 90 CO 0.00 1.14 0.17 0.97 -2.23 0.00 0.00 178.31 178.37 1qbk h ILE 91 N -0.91 0.92 -0.00 1.41 2.10 -1.93 2.20 117.51 121.29 1qbk h ILE 91 Ca -0.09 -0.03 -0.13 0.00 1.08 0.00 0.00 64.86 65.69 1qbk h ILE 91 Cb 1.15 0.83 0.01 0.00 -1.09 0.00 0.00 36.82 37.72 1qbk h ILE 91 CO -0.02 0.01 -0.50 0.50 -1.08 0.00 0.00 178.15 177.06 1qbk h LYS 92 N 0.08 0.35 0.00 2.19 3.64 -1.46 -3.29 116.57 118.08 1qbk h LYS 92 Ca 0.11 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1qbk h LYS 92 Cb 0.36 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1qbk h LYS 92 CO -0.01 1.05 -0.36 0.45 -2.27 0.00 0.00 179.45 178.31 1qbk n SER 93 N -4.30 0.63 -0.23 4.20 2.88 0.79 -1.18 113.62 116.40 1qbk n SER 93 Ca -0.10 0.25 -0.07 0.00 -1.33 0.00 0.00 58.87 57.62 1qbk n SER 93 Cb 0.62 -0.18 0.04 0.00 -0.75 0.00 0.00 64.21 63.94 1qbk n SER 93 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1qbk h GLU 94 N 0.00 0.95 0.03 -1.46 5.08 0.35 -1.42 114.58 118.11 1qbk h GLU 94 Ca 0.00 -0.16 -0.31 0.00 -1.00 0.00 0.00 59.36 57.89 1qbk h GLU 94 Cb 0.68 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 1qbk h GLU 94 CO 0.00 0.79 -1.82 0.00 -1.00 0.00 0.00 179.01 176.98 1qbk n LEU 96 N -3.12 0.03 -0.01 0.00 4.77 -0.33 0.65 117.00 118.99 1qbk n LEU 96 Ca -0.21 -0.02 0.01 0.00 -0.03 0.00 0.00 56.01 55.76 1qbk n LEU 96 Cb 1.06 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 42.09 1qbk n LEU 96 CO 0.44 0.01 -0.59 -3.20 -1.33 0.00 0.00 177.39 172.72 1qbk n ASN 97 N -0.43 3.90 0.04 -1.43 2.85 -0.55 -4.28 115.26 115.34 1qbk n ASN 97 Ca 0.00 0.00 0.07 0.00 -0.11 0.00 0.00 54.58 54.54 1qbk n ASN 97 Cb 0.01 0.99 0.32 0.00 1.24 0.00 0.00 39.78 42.34 1qbk n ASN 97 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1qbk n ASN 98 N -1.85 0.17 0.05 1.20 5.03 0.21 -2.59 115.26 117.48 1qbk n ASN 98 Ca -0.03 0.55 -0.14 0.00 0.87 0.00 0.00 54.58 55.83 1qbk n ASN 98 Cb 0.32 -0.58 -0.08 0.00 -1.02 0.00 0.00 39.78 38.42 1qbk n ASN 98 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 1qbk h ILE 99 N 0.00 0.10 0.00 2.41 2.04 -1.71 -1.01 117.51 119.34 1qbk h ILE 99 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1qbk h ILE 99 Cb 0.22 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 1qbk h ILE 99 CO 0.00 0.00 -0.03 0.61 0.00 0.00 0.00 178.15 178.73 1qbk n GLY 100 N -1.45 1.96 2.72 5.37 0.00 -1.07 -3.42 105.19 109.31 1qbk n GLY 100 Ca -0.06 -0.23 -0.06 0.00 0.00 0.00 0.00 46.02 45.67 1qbk n GLY 100 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qbk n ASP 101 N 1.96 1.39 -4.11 1.61 8.00 -0.38 -5.03 116.55 119.99 1qbk n ASP 101 Ca 0.08 -2.47 -0.43 0.00 0.71 0.00 0.00 54.79 52.68 1qbk n ASP 101 Cb 0.41 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 1qbk n ASP 101 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1qbk n SER 102 N -0.26 5.26 0.00 -2.24 3.41 -1.22 -4.17 113.62 114.40 1qbk n SER 102 Ca 0.08 -3.09 0.00 0.00 -0.26 0.00 0.00 58.87 55.60 1qbk n SER 102 Cb 0.81 -1.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 1qbk n SER 102 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1qbk n SER 103 N 4.22 0.00 -4.58 4.04 2.88 -1.26 -4.11 113.62 114.81 1qbk n SER 103 Ca 0.37 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.72 1qbk n SER 103 Cb 0.38 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.75 1qbk n SER 103 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1qbk s PRO 104 N 0.00 1.65 -0.23 -1.46 0.04 -1.26 -3.67 135.00 130.08 1qbk s PRO 104 Ca 0.00 -0.56 -0.01 0.00 0.04 0.00 0.00 61.00 60.48 1qbk s PRO 104 Cb 0.00 -5.04 0.00 0.00 0.04 0.00 0.00 34.50 29.50 1qbk s PRO 104 CO 0.00 -4.89 0.03 -0.11 0.04 0.00 0.00 177.00 172.08 1qbk n LEU 105 N 17.84 -6.34 -0.12 -3.56 0.00 -1.26 -4.23 117.00 119.34 1qbk n LEU 105 Ca 0.43 0.99 0.11 0.00 0.00 0.00 0.00 56.01 57.53 1qbk n LEU 105 Cb 0.46 -2.70 0.16 0.00 0.00 0.00 0.00 43.42 41.35 1qbk n LEU 105 CO 0.61 -2.28 0.37 -0.38 0.00 0.00 0.00 177.39 175.72 1qbk n ILE 106 N 0.44 0.00 0.40 1.96 -0.00 -1.24 0.73 119.36 121.65 1qbk n ILE 106 Ca 0.01 0.37 -0.16 0.00 -0.00 0.00 0.00 62.75 62.97 1qbk n ILE 106 Cb 0.03 -0.64 -0.08 0.00 -0.00 0.00 0.00 39.64 38.95 1qbk n ILE 106 CO 0.00 0.00 0.00 0.03 -0.00 0.00 0.00 176.55 176.58 1qbk h ARG 107 N 0.00 -1.00 0.00 0.38 3.08 -1.93 -2.59 114.38 112.32 1qbk h ARG 107 Ca 0.19 0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1qbk h ARG 107 Cb 0.90 0.23 0.00 0.00 0.08 0.00 0.00 29.97 31.18 1qbk h ARG 107 CO -0.00 -0.66 0.00 0.00 -1.07 0.00 0.00 179.97 178.23 1qbk n ALA 108 N -2.70 1.82 1.96 0.04 0.00 0.22 -2.42 120.51 119.45 1qbk n ALA 108 Ca -0.13 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1qbk n ALA 108 Cb 0.41 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1qbk n ALA 108 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1qbk n THR 109 N -1.19 0.00 0.00 0.00 -1.04 -0.98 -3.50 114.28 107.57 1qbk n THR 109 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1qbk n THR 109 Cb 0.08 -0.01 0.00 0.00 -1.82 0.00 0.00 70.33 68.58 1qbk n THR 109 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1qbk n VAL 110 N -0.50 0.00 0.00 12.58 0.31 -1.01 -4.79 118.33 124.92 1qbk n VAL 110 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1qbk n VAL 110 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1qbk n VAL 110 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qbk n GLY 111 N 0.00 0.00 0.00 2.92 0.00 -1.18 -0.44 105.19 106.50 1qbk n GLY 111 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1qbk n GLY 111 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1qbk n ILE 112 N -0.58 0.00 0.66 -0.61 5.41 -1.26 -4.08 119.36 118.90 1qbk n ILE 112 Ca 0.00 0.00 0.07 0.00 1.00 0.00 0.00 62.75 63.82 1qbk n ILE 112 Cb 0.00 0.02 0.36 0.00 -0.71 0.00 0.00 39.64 39.31 1qbk n ILE 112 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1qbk n LEU 113 N -0.51 0.00 0.10 1.39 4.77 0.41 -1.84 117.00 121.33 1qbk n LEU 113 Ca 0.00 0.33 0.08 0.00 -0.03 0.00 0.00 56.01 56.40 1qbk n LEU 113 Cb 0.04 -0.33 -0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1qbk n LEU 113 CO 0.00 -0.17 0.05 0.40 -1.33 0.00 0.00 177.39 176.34 1qbk h ILE 114 N 0.00 0.15 -0.39 -0.08 5.03 -1.88 -3.24 117.51 117.11 1qbk h ILE 114 Ca 0.00 -1.29 -0.11 0.00 -0.12 0.00 0.00 64.86 63.35 1qbk h ILE 114 Cb 0.16 1.72 -0.02 0.00 -3.03 0.00 0.00 36.82 35.66 1qbk h ILE 114 CO 0.00 0.09 -0.19 0.74 -0.68 0.00 0.00 178.15 178.11 1qbk h THR 115 N 0.00 1.27 0.00 -0.27 2.02 -1.70 -1.44 112.91 112.79 1qbk h THR 115 Ca -0.04 -1.28 0.00 0.00 0.77 0.00 0.00 66.41 65.86 1qbk h THR 115 Cb 1.15 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.74 1qbk h THR 115 CO 0.01 0.43 0.00 0.41 0.37 0.00 0.00 175.52 176.74 1qbk n THR 116 N -4.13 0.13 -0.07 3.16 -1.04 -1.22 0.11 114.28 111.22 1qbk n THR 116 Ca 0.00 0.03 -0.10 0.00 -2.04 0.00 0.00 64.05 61.94 1qbk n THR 116 Cb 0.41 -1.02 -0.06 0.00 -1.82 0.00 0.00 70.33 67.85 1qbk n THR 116 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1qbk n ILE 117 N -1.03 0.74 0.29 12.58 5.41 -0.59 -4.67 119.36 132.09 1qbk n ILE 117 Ca 0.01 -0.26 -0.14 0.00 1.00 0.00 0.00 62.75 63.36 1qbk n ILE 117 Cb 0.00 -1.14 -0.07 0.00 -0.71 0.00 0.00 39.64 37.72 1qbk n ILE 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1qbk h ALA 118 N -0.13 -0.76 0.00 -1.39 0.00 -0.13 -2.95 119.26 113.91 1qbk h ALA 118 Ca -0.30 -0.19 -0.67 0.00 0.00 0.00 0.00 54.91 53.75 1qbk h ALA 118 Cb 1.41 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 1qbk h ALA 118 CO -0.09 -0.76 3.14 0.43 0.00 0.00 0.00 179.25 181.97 1qbk n SER 119 N -5.31 4.89 0.00 0.00 7.64 0.29 -0.45 113.62 120.69 1qbk n SER 119 Ca -0.11 -2.71 0.00 0.00 1.01 0.00 0.00 58.87 57.06 1qbk n SER 119 Cb 0.33 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.02 1qbk n SER 119 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1qbk n LYS 120 N 5.51 0.00 0.03 1.43 3.00 -1.24 -4.77 118.16 122.11 1qbk n LYS 120 Ca 0.57 0.00 0.10 0.00 -0.00 0.00 0.00 58.31 58.98 1qbk n LYS 120 Cb 0.34 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 35.26 1qbk n LYS 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1qbk n GLY 121 N 0.00 -1.17 1.06 3.14 0.00 0.40 -1.40 105.19 107.21 1qbk n GLY 121 Ca 0.00 -0.40 0.08 0.00 0.00 0.00 0.00 46.02 45.70 1qbk n GLY 121 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1qbk n GLU 122 N -2.45 3.23 -2.68 1.61 0.28 -0.93 -4.37 120.64 115.33 1qbk n GLU 122 Ca -0.04 -2.63 -0.05 0.00 -0.16 0.00 0.00 57.16 54.29 1qbk n GLU 122 Cb 0.59 -1.70 0.08 0.00 1.43 0.00 0.00 31.44 31.84 1qbk n GLU 122 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1qbk n LEU 123 N 0.32 -1.48 -0.21 -1.84 -0.00 -1.25 -4.76 117.00 107.79 1qbk n LEU 123 Ca 0.20 -2.36 -0.08 0.00 -0.00 0.00 0.00 56.01 53.77 1qbk n LEU 123 Cb 0.76 0.85 0.02 0.00 -0.00 0.00 0.00 43.42 45.06 1qbk n LEU 123 CO 0.16 1.61 0.95 1.56 -0.00 0.00 0.00 177.39 181.67 1qbk h GLN 124 N 2.07 0.89 -6.88 1.96 7.50 -1.43 -3.39 115.11 115.83 1qbk h GLN 124 Ca -0.34 -0.19 -0.36 0.00 0.50 0.00 0.00 58.65 58.27 1qbk h GLN 124 Cb 1.21 -0.13 0.21 0.00 0.05 0.00 0.00 27.48 28.82 1qbk h GLN 124 CO -0.03 0.80 -0.17 0.27 -1.50 0.00 0.00 178.83 178.19 1qbk n ASN 125 N -4.43 -3.76 -3.14 1.46 6.94 -1.26 -3.67 115.26 107.40 1qbk n ASN 125 Ca 0.03 -0.73 -0.17 0.00 -0.02 0.00 0.00 54.58 53.68 1qbk n ASN 125 Cb 0.20 -1.02 0.07 0.00 -2.36 0.00 0.00 39.78 36.67 1qbk n ASN 125 CO 0.00 0.00 0.00 1.87 -1.03 0.00 0.00 177.26 178.10 1qbk n TRP 126 N -5.61 -2.18 -0.79 -2.53 -0.00 -1.26 -4.85 117.44 100.22 1qbk n TRP 126 Ca 0.11 0.85 -0.07 0.00 -0.00 0.00 0.00 57.50 58.39 1qbk n TRP 126 Cb 0.57 -4.60 -0.10 0.00 -0.00 0.00 0.00 31.31 27.18 1qbk n TRP 126 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 1qbk n PRO 127 N -4.03 1.58 0.00 5.87 -0.04 -1.24 -4.00 135.00 133.14 1qbk n PRO 127 Ca -0.13 -0.59 0.00 0.00 -0.04 0.00 0.00 63.50 62.74 1qbk n PRO 127 Cb 0.60 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 1qbk n PRO 127 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1qbk n ASP 128 N 2.09 0.00 -0.06 3.54 8.00 -1.26 -4.65 116.55 124.21 1qbk n ASP 128 Ca 0.25 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.60 1qbk n ASP 128 Cb 0.74 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.78 1qbk n ASP 128 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1qbk h LEU 129 N 0.00 0.77 0.03 0.64 6.46 -1.98 -2.93 115.31 118.29 1qbk h LEU 129 Ca 0.00 -0.56 -0.29 0.00 -0.12 0.00 0.00 57.88 56.91 1qbk h LEU 129 Cb 0.00 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 39.67 1qbk h LEU 129 CO 0.00 1.18 -1.62 -0.11 -0.62 0.00 0.00 178.44 177.27 1qbk n LEU 130 N -4.18 2.06 -0.90 2.25 0.00 -1.26 -4.04 117.00 110.93 1qbk n LEU 130 Ca -0.06 0.35 0.00 0.00 0.00 0.00 0.00 56.01 56.30 1qbk n LEU 130 Cb 0.57 -0.98 0.00 0.00 0.00 0.00 0.00 43.42 43.01 1qbk n LEU 130 CO 0.47 0.45 0.14 -2.65 0.00 0.00 0.00 177.39 175.80 1qbk n PRO 131 N -4.18 0.31 -0.08 1.96 -0.02 -1.25 -1.34 135.00 130.39 1qbk n PRO 131 Ca -0.36 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.05 1qbk n PRO 131 Cb 0.79 -1.31 -0.16 0.00 -0.02 0.00 0.00 33.50 32.80 1qbk n PRO 131 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1qbk n LYS 132 N 0.75 0.68 0.26 -0.52 4.81 -1.11 -3.88 118.16 119.16 1qbk n LYS 132 Ca 0.00 -0.02 0.10 0.00 -0.87 0.00 0.00 58.31 57.52 1qbk n LYS 132 Cb 0.14 -1.54 0.71 0.00 0.02 0.00 0.00 35.03 34.36 1qbk n LYS 132 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1qbk h LEU 133 N 0.00 0.00 0.00 3.14 3.38 -1.48 0.51 115.31 120.86 1qbk h LEU 133 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1qbk h LEU 133 Cb 2.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.82 1qbk h LEU 133 CO 0.03 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.60 1qbk h SER 135 N 0.00 0.11 0.00 0.00 0.02 -1.75 0.36 113.55 112.29 1qbk h SER 135 Ca 0.00 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1qbk h SER 135 Cb 0.00 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1qbk h SER 135 CO 0.00 1.11 0.00 0.18 -1.14 0.00 0.00 176.83 176.98 1qbk n LEU 136 N -3.33 1.03 0.00 5.07 4.77 0.18 -1.78 117.00 122.93 1qbk n LEU 136 Ca -0.06 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 1qbk n LEU 136 Cb 0.98 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 1qbk n LEU 136 CO 0.48 0.19 0.00 0.18 -1.33 0.00 0.00 177.39 176.91 1qbk n LEU 137 N 0.48 0.00 0.00 2.23 4.77 0.23 -4.77 117.00 119.93 1qbk n LEU 137 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1qbk n LEU 137 Cb 0.19 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1qbk n LEU 137 CO 0.00 0.00 0.01 -0.67 -1.33 0.00 0.00 177.39 175.40 1qbk n ASP 138 N 0.00 0.00 0.00 -1.43 -0.08 0.13 -1.73 116.55 113.43 1qbk n ASP 138 Ca 0.00 0.02 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 1qbk n ASP 138 Cb 0.00 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.47 1qbk n ASP 138 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1qbk n SER 139 N -0.03 0.00 0.18 1.67 3.41 -1.26 -3.05 113.62 114.54 1qbk n SER 139 Ca 0.00 -1.58 0.04 0.00 -0.26 0.00 0.00 58.87 57.07 1qbk n SER 139 Cb 0.00 0.00 0.34 0.00 -0.26 0.00 0.00 64.21 64.29 1qbk n SER 139 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1qbk h GLU 140 N 0.00 0.00 0.00 4.33 4.22 -1.61 -2.54 114.58 118.98 1qbk h GLU 140 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1qbk h GLU 140 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1qbk h GLU 140 CO 0.00 0.40 0.00 -3.47 -2.18 0.00 0.00 179.01 173.76 1qbk n ASP 141 N -3.71 0.00 -1.76 1.04 2.03 -1.16 -3.68 116.55 109.31 1qbk n ASP 141 Ca -0.01 0.42 0.00 0.00 0.52 0.00 0.00 54.79 55.72 1qbk n ASP 141 Cb 0.49 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 1qbk n ASP 141 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1qbk n TYR 142 N -1.45 0.00 -2.17 -0.67 4.01 -0.96 -4.43 117.16 111.50 1qbk n TYR 142 Ca 0.02 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1qbk n TYR 142 Cb 0.09 -0.21 -0.00 0.00 -0.31 0.00 0.00 39.34 38.91 1qbk n TYR 142 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1qbk n ASN 143 N 1.72 -5.15 -2.69 7.72 3.02 -0.98 -5.03 115.26 113.87 1qbk n ASN 143 Ca 0.00 0.79 -0.07 0.00 -0.03 0.00 0.00 54.58 55.27 1qbk n ASN 143 Cb 0.00 -3.40 0.09 0.00 -0.61 0.00 0.00 39.78 35.86 1qbk n ASN 143 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1qbk n THR 144 N 0.41 0.35 -2.72 3.41 -2.24 0.75 -4.89 114.28 109.36 1qbk n THR 144 Ca -0.01 -1.99 0.00 0.00 -2.27 0.00 0.00 64.05 59.78 1qbk n THR 144 Cb 0.02 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 1qbk n THR 144 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qbk n GLU 146 N 0.00 0.51 0.00 0.00 1.02 -1.26 -1.84 120.64 119.07 1qbk n GLU 146 Ca 0.00 -0.46 0.00 0.00 -0.02 0.00 0.00 57.16 56.68 1qbk n GLU 146 Cb 0.00 -2.99 0.00 0.00 -0.02 0.00 0.00 31.44 28.43 1qbk n GLU 146 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qbk n GLY 147 N 6.38 2.14 0.00 0.62 0.00 -1.26 -3.49 105.19 109.57 1qbk n GLY 147 Ca 0.50 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1qbk n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qbk n ALA 148 N 0.00 0.00 0.00 4.61 0.00 -0.77 -4.88 120.51 119.48 1qbk n ALA 148 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1qbk n ALA 148 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1qbk n ALA 148 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1qbk n PHE 149 N 0.00 0.00 0.56 0.00 1.16 -1.26 0.27 117.46 118.18 1qbk n PHE 149 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1qbk n PHE 149 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 1qbk n PHE 149 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1qbk n GLY 150 N 0.40 1.00 0.00 4.97 0.00 -1.24 0.26 105.19 110.59 1qbk n GLY 150 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1qbk n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qbk n ALA 151 N 0.52 0.00 -0.06 4.61 0.00 -1.23 -4.66 120.51 119.70 1qbk n ALA 151 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1qbk n ALA 151 Cb 0.22 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.53 1qbk n ALA 151 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1qbk n LEU 152 N -0.54 0.37 0.09 0.00 7.99 -0.85 -4.16 117.00 119.90 1qbk n LEU 152 Ca 0.00 0.17 0.00 0.00 -0.01 0.00 0.00 56.01 56.18 1qbk n LEU 152 Cb 0.00 0.33 -0.03 0.00 -0.11 0.00 0.00 43.42 43.60 1qbk n LEU 152 CO 0.00 0.41 0.14 -0.61 -1.51 0.00 0.00 177.39 175.81 1qbk h GLN 153 N 0.00 0.00 -1.03 3.23 -0.00 0.33 -3.05 115.11 114.59 1qbk h GLN 153 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.25 1qbk h GLN 153 Cb 2.05 0.00 0.00 0.00 0.00 0.00 0.00 27.48 29.53 1qbk h GLN 153 CO 0.05 0.47 0.00 1.17 0.00 0.00 0.00 178.83 180.52 1qbk n LYS 154 N -3.11 0.67 0.00 1.69 3.00 -1.12 -2.00 118.16 117.29 1qbk n LYS 154 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.28 1qbk n LYS 154 Cb 0.80 -1.24 0.00 0.00 0.00 0.00 0.00 35.03 34.59 1qbk n LYS 154 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 1qbk n ILE 155 N 0.44 0.00 -0.19 3.15 -5.35 -1.24 -4.77 119.36 111.39 1qbk n ILE 155 Ca 0.00 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.60 1qbk n ILE 155 Cb 0.26 0.00 0.44 0.00 -1.74 0.00 0.00 39.64 38.60 1qbk n ILE 155 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1qbk h GLU 157 N 0.56 0.17 -0.20 0.00 4.11 -1.84 -3.07 114.58 114.31 1qbk h GLU 157 Ca 0.38 -0.19 0.00 0.00 0.07 0.00 0.00 59.36 59.62 1qbk h GLU 157 Cb 0.68 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1qbk h GLU 157 CO -0.14 0.92 0.00 -0.25 0.07 0.00 0.00 179.01 179.61 1qbk n ASP 158 N -3.66 0.20 -0.06 3.06 8.00 0.89 -0.23 116.55 124.76 1qbk n ASP 158 Ca -0.03 -0.87 -0.07 0.00 0.71 0.00 0.00 54.79 54.53 1qbk n ASP 158 Cb 0.79 -0.10 -0.07 0.00 -0.02 0.00 0.00 41.12 41.72 1qbk n ASP 158 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1qbk n SER 159 N -0.14 2.68 -0.07 -2.24 3.41 -1.16 -3.55 113.62 112.56 1qbk n SER 159 Ca 0.00 -0.03 -0.10 0.00 -0.26 0.00 0.00 58.87 58.48 1qbk n SER 159 Cb 0.05 0.37 -0.04 0.00 -0.26 0.00 0.00 64.21 64.33 1qbk n SER 159 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qbk h ALA 160 N 0.30 0.29 -0.07 7.33 0.00 -0.73 0.11 119.26 126.50 1qbk h ALA 160 Ca -0.28 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1qbk h ALA 160 Cb 1.56 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 1qbk h ALA 160 CO -0.01 -0.14 -0.07 1.05 0.00 0.00 0.00 179.25 180.08 1qbk h GLU 161 N 0.24 0.18 -0.36 0.00 4.11 -1.70 -1.56 114.58 115.48 1qbk h GLU 161 Ca 0.08 -0.09 -0.08 0.00 0.07 0.00 0.00 59.36 59.33 1qbk h GLU 161 Cb 0.13 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1qbk h GLU 161 CO -0.01 0.61 -0.13 0.82 0.07 0.00 0.00 179.01 180.37 1qbk h ILE 162 N -0.25 1.25 0.09 -1.06 2.04 -1.60 -1.48 117.51 116.50 1qbk h ILE 162 Ca 0.01 -1.12 -0.00 0.00 1.00 0.00 0.00 64.86 64.75 1qbk h ILE 162 Cb 0.57 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 1qbk h ILE 162 CO 0.02 0.37 -0.04 0.25 0.00 0.00 0.00 178.15 178.75 1qbk h LEU 163 N 0.59 -0.10 -2.06 1.44 5.85 -0.81 -3.31 115.31 116.90 1qbk h LEU 163 Ca 0.10 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1qbk h LEU 163 Cb 0.56 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 1qbk h LEU 163 CO 0.04 0.08 -0.04 -0.78 -0.34 0.00 0.00 178.44 177.39 1qbk h ASP 164 N -0.42 0.00 -1.68 1.25 3.58 -1.41 -2.86 116.42 114.87 1qbk h ASP 164 Ca -0.01 0.00 -0.73 0.00 0.42 0.00 0.00 57.03 56.71 1qbk h ASP 164 Cb 0.09 0.00 -0.29 0.00 1.72 0.00 0.00 39.33 40.86 1qbk h ASP 164 CO 0.02 0.04 0.89 -1.20 -2.88 0.00 0.00 179.24 176.11 1qbk n SER 165 N -4.22 7.38 0.00 2.28 7.64 -0.56 -5.07 113.62 121.08 1qbk n SER 165 Ca -0.03 -3.82 0.00 0.00 1.01 0.00 0.00 58.87 56.03 1qbk n SER 165 Cb 0.13 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 1qbk n SER 165 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1qbk n ASP 166 N -0.64 0.00 -3.43 6.43 4.64 -1.08 -4.82 116.55 117.64 1qbk n ASP 166 Ca 0.55 0.00 -0.36 0.00 -1.38 0.00 0.00 54.79 53.61 1qbk n ASP 166 Cb 0.38 0.00 -0.02 0.00 -1.04 0.00 0.00 41.12 40.44 1qbk n ASP 166 CO 0.00 0.00 0.00 -2.11 -0.82 0.00 0.00 177.20 174.27 1qbk n ARG 170 N -0.02 2.63 0.27 -0.67 1.85 -1.26 -4.76 116.66 114.69 1qbk n ARG 170 Ca 0.00 -2.02 -0.16 0.00 -1.00 0.00 0.00 57.85 54.67 1qbk n ARG 170 Cb 0.00 -2.84 -0.08 0.00 -1.05 0.00 0.00 32.46 28.49 1qbk n ARG 170 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 1qbk h PRO 171 N 6.16 -0.62 0.00 2.89 0.13 -2.04 -3.37 132.00 135.16 1qbk h PRO 171 Ca 0.61 0.04 -0.11 0.00 -0.87 0.00 0.00 66.00 65.67 1qbk h PRO 171 Cb 0.41 0.14 -0.23 0.00 0.13 0.00 0.00 31.00 31.44 1qbk h PRO 171 CO 1.75 -0.39 -0.78 1.28 -0.23 0.00 0.00 178.00 179.63 1qbk n LEU 172 N -5.35 0.52 0.14 1.56 4.32 -1.26 -4.88 117.00 112.05 1qbk n LEU 172 Ca -0.12 -1.65 0.13 0.00 -0.02 0.00 0.00 56.01 54.36 1qbk n LEU 172 Cb 0.28 0.00 0.38 0.00 -1.62 0.00 0.00 43.42 42.46 1qbk n LEU 172 CO 0.36 0.50 0.87 0.78 -1.22 0.00 0.00 177.39 178.69 1qbk h ASN 173 N 0.58 0.00 -1.37 -1.43 2.35 -1.88 -3.27 115.58 110.55 1qbk h ASN 173 Ca -0.17 0.00 -0.65 0.00 -0.55 0.00 0.00 56.30 54.93 1qbk h ASN 173 Cb 1.68 0.00 -0.35 0.00 0.05 0.00 0.00 38.32 39.70 1qbk h ASN 173 CO 0.04 0.00 0.13 -0.38 -1.65 0.00 0.00 177.43 175.57 1qbk n ILE 174 N -2.50 3.04 0.00 2.81 5.41 -1.26 -4.49 119.36 122.37 1qbk n ILE 174 Ca 0.04 -4.15 0.00 0.00 1.00 0.00 0.00 62.75 59.64 1qbk n ILE 174 Cb 0.42 -1.21 0.00 0.00 -0.71 0.00 0.00 39.64 38.14 1qbk n ILE 174 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1qbk n ILE 176 N -0.65 0.00 -0.24 1.39 5.41 -1.24 -4.75 119.36 119.29 1qbk n ILE 176 Ca 0.50 0.00 0.05 0.00 1.00 0.00 0.00 62.75 64.29 1qbk n ILE 176 Cb 0.60 0.00 0.17 0.00 -0.71 0.00 0.00 39.64 39.70 1qbk n ILE 176 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1qbk h PRO 177 N 0.00 0.27 -3.05 0.38 0.11 -1.89 -2.53 132.00 125.29 1qbk h PRO 177 Ca 0.00 -0.02 -0.68 0.00 0.11 0.00 0.00 66.00 65.41 1qbk h PRO 177 Cb 0.00 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 31.06 1qbk h PRO 177 CO 0.00 0.18 3.68 1.63 -0.21 0.00 0.00 178.00 183.27 1qbk n LYS 178 N -5.15 3.72 0.00 1.05 5.02 -1.26 -3.17 118.16 118.37 1qbk n LYS 178 Ca 0.13 -2.35 0.00 0.00 -2.02 0.00 0.00 58.31 54.07 1qbk n LYS 178 Cb 0.43 -2.83 0.00 0.00 -0.02 0.00 0.00 35.03 32.61 1qbk n LYS 178 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1qbk n PHE 179 N 3.63 -0.91 1.40 2.13 -0.00 -0.98 -4.90 117.46 117.82 1qbk n PHE 179 Ca 0.75 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 58.33 1qbk n PHE 179 Cb 0.24 0.18 0.71 0.00 -0.00 0.00 0.00 39.48 40.62 1qbk n PHE 179 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1qbk n LEU 180 N -2.13 0.00 0.12 -2.13 4.77 -1.04 -1.70 117.00 114.90 1qbk n LEU 180 Ca 0.00 0.20 0.12 0.00 -0.03 0.00 0.00 56.01 56.29 1qbk n LEU 180 Cb 0.00 -0.20 0.04 0.00 -2.33 0.00 0.00 43.42 40.94 1qbk n LEU 180 CO 0.00 -0.03 0.20 1.56 -1.33 0.00 0.00 177.39 177.79 1qbk h GLN 181 N 0.00 0.00 -0.11 3.23 4.20 -1.82 -3.32 115.11 117.29 1qbk h GLN 181 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1qbk h GLN 181 Cb 0.17 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 1qbk h GLN 181 CO 0.00 0.00 0.03 0.35 -0.67 0.00 0.00 178.83 178.54 1qbk h PHE 182 N 0.00 0.18 -1.80 2.96 3.57 -1.63 -3.16 116.94 117.06 1qbk h PHE 182 Ca 0.00 -0.02 0.54 0.00 3.53 0.00 0.00 57.97 62.02 1qbk h PHE 182 Cb 0.98 -0.05 -0.09 0.00 2.79 0.00 0.00 35.95 39.58 1qbk h PHE 182 CO 0.00 0.32 1.27 1.19 -2.23 0.00 0.00 178.31 178.86 1qbk n PHE 183 N -4.88 0.18 0.25 0.41 3.01 -1.25 0.18 117.46 115.36 1qbk n PHE 183 Ca -0.06 0.18 0.08 0.00 1.01 0.00 0.00 57.45 58.66 1qbk n PHE 183 Cb 0.14 -0.66 0.62 0.00 -0.01 0.00 0.00 39.48 39.57 1qbk n PHE 183 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1qbk h LYS 184 N 0.00 0.00 0.00 -1.08 1.63 -1.78 -3.17 116.57 112.17 1qbk h LYS 184 Ca 0.91 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.71 1qbk h LYS 184 Cb 3.49 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 35.12 1qbk h LYS 184 CO -0.13 0.04 0.00 0.72 -3.45 0.00 0.00 179.45 176.63 1qbk n HIS 185 N -4.49 0.00 -1.08 1.91 8.25 0.47 -4.03 115.22 116.26 1qbk n HIS 185 Ca -0.03 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.41 1qbk n HIS 185 Cb 0.12 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.21 1qbk n HIS 185 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1qbk n SER 186 N -0.27 -1.48 0.05 0.41 7.64 -1.20 -3.60 113.62 115.16 1qbk n SER 186 Ca 0.00 -1.54 0.00 0.00 1.01 0.00 0.00 58.87 58.34 1qbk n SER 186 Cb 0.00 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 1qbk n SER 186 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1qbk n SER 187 N 6.71 -0.49 0.00 6.43 2.88 -1.26 -4.57 113.62 123.32 1qbk n SER 187 Ca 0.06 0.20 0.12 0.00 -1.33 0.00 0.00 58.87 57.92 1qbk n SER 187 Cb 0.49 0.63 0.70 0.00 -0.75 0.00 0.00 64.21 65.28 1qbk n SER 187 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1qbk n PRO 188 N -2.80 0.87 -1.54 -1.46 -0.04 -1.24 -4.74 135.00 124.06 1qbk n PRO 188 Ca 0.00 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 1qbk n PRO 188 Cb 0.00 -1.42 0.04 0.00 -0.04 0.00 0.00 33.50 32.08 1qbk n PRO 188 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1qbk n LYS 189 N -0.92 0.69 0.14 0.54 3.00 -1.26 -4.89 118.16 115.45 1qbk n LYS 189 Ca 0.18 0.27 0.01 0.00 -0.00 0.00 0.00 58.31 58.77 1qbk n LYS 189 Cb 0.08 -1.93 0.10 0.00 0.00 0.00 0.00 35.03 33.29 1qbk n LYS 189 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.40 176.56 1qbk h ILE 190 N 0.35 1.06 -3.92 3.15 3.07 -1.97 -3.44 117.51 115.82 1qbk h ILE 190 Ca -0.47 -2.23 -0.56 0.00 1.55 0.00 0.00 64.86 63.15 1qbk h ILE 190 Cb 1.38 2.34 0.15 0.00 -0.27 0.00 0.00 36.82 40.43 1qbk h ILE 190 CO 0.49 0.55 0.46 -1.14 -1.05 0.00 0.00 178.15 177.46 1qbk n ARG 191 N -3.37 1.33 0.00 0.16 3.00 -1.26 -4.95 116.66 111.57 1qbk n ARG 191 Ca 0.01 0.50 0.00 0.00 -0.00 0.00 0.00 57.85 58.36 1qbk n ARG 191 Cb 0.70 -2.46 0.00 0.00 0.00 0.00 0.00 32.46 30.70 1qbk n ARG 191 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1qbk n SER 192 N -1.19 0.00 -0.10 6.15 3.41 -1.26 -2.26 113.62 118.37 1qbk n SER 192 Ca 0.13 0.61 -0.06 0.00 -0.26 0.00 0.00 58.87 59.29 1qbk n SER 192 Cb 0.46 -0.34 -0.04 0.00 -0.26 0.00 0.00 64.21 64.02 1qbk n SER 192 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1qbk h HIS 193 N 0.00 -0.79 -0.96 7.33 3.86 -1.96 0.58 115.15 123.20 1qbk h HIS 193 Ca 0.00 0.04 0.28 0.00 -1.16 0.00 0.00 60.37 59.53 1qbk h HIS 193 Cb 0.00 0.38 -0.04 0.00 1.06 0.00 0.00 27.41 28.81 1qbk h HIS 193 CO 0.09 -0.20 1.09 0.00 0.86 0.00 0.00 177.93 179.76 1qbk h ALA 194 N -0.61 2.86 -0.87 2.45 0.00 -1.90 0.77 119.26 121.96 1qbk h ALA 194 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1qbk h ALA 194 Cb 0.24 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1qbk h ALA 194 CO -0.31 -1.58 0.00 0.28 0.00 0.00 0.00 179.25 177.63 1qbk n VAL 195 N -3.36 0.00 0.32 0.00 0.31 0.18 -4.41 118.33 111.37 1qbk n VAL 195 Ca 0.21 0.36 -0.13 0.00 -0.01 0.00 0.00 64.34 64.77 1qbk n VAL 195 Cb 1.39 -1.20 -0.06 0.00 -0.91 0.00 0.00 33.84 33.06 1qbk n VAL 195 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1qbk h ALA 196 N -2.00 -1.06 -0.61 3.52 0.00 -0.37 -0.55 119.26 118.19 1qbk h ALA 196 Ca 0.00 -0.18 0.22 0.00 0.00 0.00 0.00 54.91 54.95 1qbk h ALA 196 Cb 0.00 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 1qbk h ALA 196 CO 0.00 -1.00 0.38 0.00 0.00 0.00 0.00 179.25 178.63 1qbk h VAL 198 N 0.00 0.11 0.00 0.00 2.07 -1.53 -3.39 116.25 113.50 1qbk h VAL 198 Ca 0.42 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1qbk h VAL 198 Cb 1.29 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1qbk h VAL 198 CO -0.28 0.04 0.00 -3.20 0.02 0.00 0.00 177.57 174.15 1qbk n ASN 199 N -4.65 0.00 -0.51 0.57 2.85 0.51 -0.07 115.26 113.96 1qbk n ASN 199 Ca -0.07 0.52 0.43 0.00 -0.11 0.00 0.00 54.58 55.35 1qbk n ASN 199 Cb 0.23 -0.04 0.76 0.00 1.24 0.00 0.00 39.78 41.98 1qbk n ASN 199 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 1qbk h GLN 200 N 0.00 0.02 0.00 1.20 4.15 -1.74 2.67 115.11 121.42 1qbk h GLN 200 Ca 0.00 -0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.30 1qbk h GLN 200 Cb 0.00 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 1qbk h GLN 200 CO 0.00 0.02 -0.57 0.35 -1.93 0.00 0.00 178.83 176.69 1qbk h PHE 201 N 0.03 0.00 -0.34 3.99 3.57 -1.26 -2.80 116.94 120.13 1qbk h PHE 201 Ca 0.76 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 62.09 1qbk h PHE 201 Cb 2.95 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 41.59 1qbk h PHE 201 CO -0.00 0.57 0.22 -0.89 -2.23 0.00 0.00 178.31 175.99 1qbk n ILE 202 N -3.43 1.76 -0.21 1.41 5.41 0.89 -3.18 119.36 122.01 1qbk n ILE 202 Ca 0.00 -0.66 0.00 0.00 1.00 0.00 0.00 62.75 63.10 1qbk n ILE 202 Cb 0.68 -0.82 0.00 0.00 -0.71 0.00 0.00 39.64 38.79 1qbk n ILE 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1qbk n ILE 203 N -0.06 0.00 -2.32 1.39 0.13 -1.06 -4.97 119.36 112.47 1qbk n ILE 203 Ca 0.20 0.00 -0.35 0.00 -1.10 0.00 0.00 62.75 61.51 1qbk n ILE 203 Cb 0.90 1.03 -0.04 0.00 -0.84 0.00 0.00 39.64 40.70 1qbk n ILE 203 CO 0.00 0.00 0.00 -0.94 2.80 0.00 0.00 176.55 178.41 1qbk s SER 204 N 0.00 5.88 0.05 9.51 1.04 -1.19 -4.93 113.70 124.06 1qbk s SER 204 Ca 0.00 -1.26 0.06 0.00 0.48 0.00 0.00 55.95 55.23 1qbk s SER 204 Cb 0.00 -2.57 -0.03 0.00 0.10 0.00 0.00 66.02 63.52 1qbk s SER 204 CO 0.00 -2.09 -0.13 0.00 0.98 0.00 0.00 173.24 172.01 1qbk s ARG 205 N 5.82 2.22 0.00 4.02 1.70 -1.26 -5.08 118.95 126.37 1qbk s ARG 205 Ca 0.58 -0.92 0.00 0.00 -0.47 0.00 0.00 55.73 54.92 1qbk s ARG 205 Cb -0.02 -2.31 0.00 0.00 -0.57 0.00 0.00 34.95 32.05 1qbk s ARG 205 CO -0.03 0.55 0.00 2.41 -1.08 0.00 0.00 175.30 177.15 1qbk n THR 206 N 1.31 0.00 0.00 4.99 -1.04 -1.26 -5.07 114.28 113.22 1qbk n THR 206 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 1qbk n THR 206 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 1qbk n THR 206 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qbk n GLN 207 N 0.00 3.45 0.21 -2.82 1.13 -1.26 -4.82 117.38 113.27 1qbk n GLN 207 Ca 0.00 0.00 0.08 0.00 -1.94 0.00 0.00 57.00 55.14 1qbk n GLN 207 Cb 0.00 -0.43 0.42 0.00 0.11 0.00 0.00 30.24 30.34 1qbk n GLN 207 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1qbk h ALA 208 N 0.00 1.29 -1.05 -1.58 0.00 -2.00 -3.48 119.26 112.44 1qbk h ALA 208 Ca 0.00 0.00 0.25 0.00 0.00 0.00 0.00 54.91 55.16 1qbk h ALA 208 Cb 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 17.52 1qbk h ALA 208 CO 0.00 -0.29 0.96 -1.17 0.00 0.00 0.00 179.25 178.75 1qbk s LEU 209 N -4.48 -0.03 0.00 0.00 2.96 -1.26 -4.82 118.68 111.06 1qbk s LEU 209 Ca -0.02 0.03 0.00 0.00 -0.22 0.00 0.00 54.13 53.92 1qbk s LEU 209 Cb 0.04 1.07 0.00 0.00 0.50 0.00 0.00 46.19 47.80 1qbk s LEU 209 CO 0.14 -0.03 0.00 -0.11 -1.32 0.00 0.00 176.35 175.03 1qbk n LEU 211 N 0.50 0.00 -0.26 -0.68 0.00 -1.26 -4.74 117.00 110.56 1qbk n LEU 211 Ca 0.00 0.00 0.27 0.00 0.00 0.00 0.00 56.01 56.28 1qbk n LEU 211 Cb 0.59 0.00 0.41 0.00 0.00 0.00 0.00 43.42 44.42 1qbk n LEU 211 CO 0.07 0.00 1.02 0.00 0.00 0.00 0.00 177.39 178.48 1qbk n HIS 212 N 0.00 0.00 0.00 1.96 1.44 -1.26 -3.15 115.22 114.21 1qbk n HIS 212 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1qbk n HIS 212 Cb 0.00 -0.25 0.00 0.00 0.12 0.00 0.00 29.99 29.86 1qbk n HIS 212 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 1qbk n ILE 213 N -2.97 0.00 -0.37 0.61 -0.00 -1.26 -2.85 119.36 112.52 1qbk n ILE 213 Ca 0.22 0.45 0.29 0.00 -0.00 0.00 0.00 62.75 63.71 1qbk n ILE 213 Cb 1.29 -1.20 0.56 0.00 -0.00 0.00 0.00 39.64 40.28 1qbk n ILE 213 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.55 176.99 1qbk h ASP 214 N 0.00 0.38 0.18 4.38 3.32 -1.97 0.30 116.42 123.01 1qbk h ASP 214 Ca 0.00 0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 1qbk h ASP 214 Cb 0.00 0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 1qbk h ASP 214 CO 0.00 -0.10 -0.01 0.77 -1.72 0.00 0.00 179.24 178.18 1qbk h SER 215 N 0.24 0.00 -3.41 6.45 4.64 -1.68 -3.40 113.55 116.39 1qbk h SER 215 Ca 0.73 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 61.49 1qbk h SER 215 Cb 2.00 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 64.02 1qbk h SER 215 CO -0.45 0.01 0.91 -0.36 -0.87 0.00 0.00 176.83 176.07 1qbk s PHE 216 N -4.15 2.71 -0.82 4.77 0.40 0.10 -4.72 117.98 116.27 1qbk s PHE 216 Ca -0.04 0.48 0.10 0.00 -0.60 0.00 0.00 56.93 56.87 1qbk s PHE 216 Cb 0.13 -4.43 -0.02 0.00 0.51 0.00 0.00 43.02 39.21 1qbk s PHE 216 CO 0.46 -1.43 0.58 2.41 0.70 0.00 0.00 175.22 177.95 1qbk n THR 217 N 6.69 0.00 0.04 0.64 -1.04 -1.26 -4.34 114.28 115.00 1qbk n THR 217 Ca 0.09 -0.37 -0.19 0.00 -2.04 0.00 0.00 64.05 61.54 1qbk n THR 217 Cb 0.49 1.09 -0.14 0.00 -1.82 0.00 0.00 70.33 69.95 1qbk n THR 217 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1qbk h GLU 218 N 0.88 0.27 0.00 -2.82 5.08 -1.97 -3.20 114.58 112.82 1qbk h GLU 218 Ca 0.00 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1qbk h GLU 218 Cb 0.32 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1qbk h GLU 218 CO 0.00 1.14 0.00 0.27 -1.00 0.00 0.00 179.01 179.42 1qbk n ASN 219 N -3.46 0.00 -0.12 1.42 6.94 -1.26 0.18 115.26 118.97 1qbk n ASN 219 Ca -0.24 -1.15 -0.26 0.00 -0.02 0.00 0.00 54.58 52.91 1qbk n ASN 219 Cb 1.06 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 38.37 1qbk n ASN 219 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 1qbk n LEU 220 N -0.62 2.00 0.08 -4.53 7.94 -1.21 -4.05 117.00 116.62 1qbk n LEU 220 Ca 0.04 0.34 0.10 0.00 -1.11 0.00 0.00 56.01 55.38 1qbk n LEU 220 Cb 0.02 -0.90 -0.03 0.00 0.53 0.00 0.00 43.42 43.04 1qbk n LEU 220 CO 0.03 0.49 -0.10 0.33 -1.11 0.00 0.00 177.39 177.03 1qbk n PHE 221 N -4.24 0.87 1.62 1.96 7.35 -0.88 0.24 117.46 124.38 1qbk n PHE 221 Ca -0.45 0.26 0.11 0.00 -0.76 0.00 0.00 57.45 56.61 1qbk n PHE 221 Cb 0.82 -0.93 0.64 0.00 0.35 0.00 0.00 39.48 40.36 1qbk n PHE 221 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1qbk n ALA 222 N -2.22 2.44 0.00 3.13 0.00 0.49 -2.61 120.51 121.74 1qbk n ALA 222 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1qbk n ALA 222 Cb 0.59 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1qbk n ALA 222 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1qbk n LEU 223 N -0.92 0.00 0.00 0.00 4.77 -1.18 -4.21 117.00 115.46 1qbk n LEU 223 Ca 0.16 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.19 1qbk n LEU 223 Cb 0.07 0.00 0.32 0.00 -2.33 0.00 0.00 43.42 41.48 1qbk n LEU 223 CO 0.12 0.00 0.54 0.00 -1.33 0.00 0.00 177.39 176.72 1qbk n ALA 224 N -0.68 1.91 0.00 -1.18 0.00 0.66 -0.78 120.51 120.43 1qbk n ALA 224 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1qbk n ALA 224 Cb 0.08 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1qbk n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qbk n GLY 225 N -0.31 0.83 3.16 0.00 0.00 -1.16 -4.92 105.19 102.79 1qbk n GLY 225 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1qbk n GLY 225 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1qbk n ASP 226 N -0.27 2.25 -3.62 1.61 -0.08 0.04 -4.87 116.55 111.60 1qbk n ASP 226 Ca 0.00 -2.64 0.00 0.00 -1.51 0.00 0.00 54.79 50.64 1qbk n ASP 226 Cb 0.00 -1.00 0.00 0.00 2.34 0.00 0.00 41.12 42.46 1qbk n ASP 226 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1qbk n GLU 227 N 7.15 1.74 -1.72 -0.67 4.07 -1.26 -4.71 120.64 125.25 1qbk n GLU 227 Ca 0.49 0.00 -0.19 0.00 -0.06 0.00 0.00 57.16 57.40 1qbk n GLU 227 Cb 0.40 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.72 1qbk n GLU 227 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 1qbk s GLU 228 N 0.00 1.92 0.62 5.31 4.04 -1.26 -4.66 118.70 124.67 1qbk s GLU 228 Ca 0.00 0.31 0.37 0.00 0.04 0.00 0.00 54.97 55.70 1qbk s GLU 228 Cb 0.00 -4.85 2.08 0.00 0.02 0.00 0.00 34.13 31.39 1qbk s GLU 228 CO 0.00 -4.04 2.29 -1.00 -1.84 0.00 0.00 175.26 170.67 1qbk h PRO 229 N 12.71 0.00 0.00 -4.83 0.13 -1.97 -3.42 132.00 134.62 1qbk h PRO 229 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1qbk h PRO 229 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1qbk h PRO 229 CO 1.08 0.01 0.00 0.39 -0.23 0.00 0.00 178.00 179.25 1qbk n GLU 230 N -3.42 0.00 0.12 0.86 -0.58 -1.26 -4.89 120.64 111.46 1qbk n GLU 230 Ca -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 1qbk n GLU 230 Cb 0.10 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.97 1qbk n GLU 230 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1qbk n VAL 231 N 0.00 0.00 0.52 2.62 0.31 -1.26 -4.94 118.33 115.59 1qbk n VAL 231 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1qbk n VAL 231 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1qbk n VAL 231 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 1qbk n ARG 232 N -3.23 0.50 0.04 5.55 1.85 -1.26 -2.93 116.66 117.19 1qbk n ARG 232 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1qbk n ARG 232 Cb 0.00 -1.24 0.00 0.00 -1.05 0.00 0.00 32.46 30.17 1qbk n ARG 232 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1qbk n LYS 233 N 0.21 0.00 0.17 2.89 4.76 -1.26 -4.55 118.16 120.38 1qbk n LYS 233 Ca 0.00 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.48 1qbk n LYS 233 Cb 0.12 -0.39 0.22 0.00 -1.84 0.00 0.00 35.03 33.14 1qbk n LYS 233 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1qbk n ASN 234 N -3.24 0.21 -0.07 4.39 0.23 -1.15 0.13 115.26 115.76 1qbk n ASN 234 Ca 0.00 0.44 -0.17 0.00 -0.53 0.00 0.00 54.58 54.32 1qbk n ASN 234 Cb 0.17 -0.31 -0.13 0.00 -2.08 0.00 0.00 39.78 37.43 1qbk n ASN 234 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 1qbk h VAL 235 N 0.00 1.45 0.00 3.53 2.07 -1.83 -2.18 116.25 119.30 1qbk h VAL 235 Ca 0.00 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.20 1qbk h VAL 235 Cb 0.95 2.98 0.00 0.00 -1.52 0.00 0.00 31.29 33.70 1qbk h VAL 235 CO 0.00 0.54 0.00 0.00 0.02 0.00 0.00 177.57 178.13 1qbk n ARG 237 N -1.28 0.56 0.00 0.00 1.85 -0.19 -3.70 116.66 113.89 1qbk n ARG 237 Ca 0.08 0.52 0.00 0.00 -1.00 0.00 0.00 57.85 57.46 1qbk n ARG 237 Cb 0.14 -1.70 0.01 0.00 -1.05 0.00 0.00 32.46 29.85 1qbk n ARG 237 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1qbk n ALA 238 N -3.57 1.87 -0.05 2.89 0.00 -0.82 -0.42 120.51 120.41 1qbk n ALA 238 Ca -0.33 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1qbk n ALA 238 Cb 0.67 -1.00 -0.15 0.00 0.00 0.00 0.00 19.45 18.96 1qbk n ALA 238 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1qbk n LEU 239 N -0.51 0.00 -1.94 0.00 0.00 -0.67 -4.36 117.00 109.52 1qbk n LEU 239 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 56.01 55.81 1qbk n LEU 239 Cb 0.00 0.24 0.10 0.00 0.00 0.00 0.00 43.42 43.76 1qbk n LEU 239 CO 0.00 0.24 1.16 0.52 0.00 0.00 0.00 177.39 179.31 1qbk n VAL 240 N -2.47 2.78 0.00 1.96 0.31 0.44 -3.99 118.33 117.36 1qbk n VAL 240 Ca -0.18 -1.68 0.00 0.00 -0.01 0.00 0.00 64.34 62.48 1qbk n VAL 240 Cb 0.84 -0.89 0.00 0.00 -0.91 0.00 0.00 33.84 32.88 1qbk n VAL 240 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1qbk n LEU 242 N -0.46 0.00 -2.98 7.52 7.99 -1.26 -4.30 117.00 123.52 1qbk n LEU 242 Ca 0.42 0.00 -0.12 0.00 -0.01 0.00 0.00 56.01 56.30 1qbk n LEU 242 Cb 1.03 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 44.32 1qbk n LEU 242 CO 0.48 0.00 -0.03 -0.11 -1.51 0.00 0.00 177.39 176.22 1qbk n LEU 243 N 0.00 -2.40 -3.60 2.23 7.94 -1.26 -4.64 117.00 115.27 1qbk n LEU 243 Ca 0.00 -3.45 -0.04 0.00 -1.11 0.00 0.00 56.01 51.41 1qbk n LEU 243 Cb 0.00 0.69 -0.02 0.00 0.53 0.00 0.00 43.42 44.63 1qbk n LEU 243 CO 0.00 1.92 0.87 -1.83 -1.11 0.00 0.00 177.39 177.24 1qbk s GLU 244 N 0.55 0.64 0.00 1.96 4.04 -1.26 -5.08 118.70 119.56 1qbk s GLU 244 Ca 0.31 -0.29 0.00 0.00 0.04 0.00 0.00 54.97 55.03 1qbk s GLU 244 Cb 0.03 0.26 0.00 0.00 0.02 0.00 0.00 34.13 34.44 1qbk s GLU 244 CO -0.11 -0.29 0.00 1.55 -1.84 0.00 0.00 175.26 174.57 1qbk n VAL 245 N -0.29 0.00 -1.74 1.83 3.14 -1.26 -4.86 118.33 115.15 1qbk n VAL 245 Ca -0.05 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.91 1qbk n VAL 245 Cb 0.61 -0.81 -0.00 0.00 -1.06 0.00 0.00 33.84 32.57 1qbk n VAL 245 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 1qbk n ARG 246 N -2.58 2.92 -0.29 1.45 1.85 -1.26 -4.79 116.66 113.96 1qbk n ARG 246 Ca 0.00 -2.63 0.00 0.00 -1.00 0.00 0.00 57.85 54.22 1qbk n ARG 246 Cb 0.40 -3.26 0.00 0.00 -1.05 0.00 0.00 32.46 28.56 1qbk n ARG 246 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 1qbk n MET 247 N 5.91 0.80 0.05 2.89 2.81 -1.26 -4.16 117.12 124.16 1qbk n MET 247 Ca 0.52 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 56.31 1qbk n MET 247 Cb 0.38 -1.10 0.02 0.00 -0.71 0.00 0.00 33.22 31.81 1qbk n MET 247 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1qbk h ASP 248 N 1.25 0.51 0.76 7.83 3.32 -2.02 -2.97 116.42 125.11 1qbk h ASP 248 Ca 0.00 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1qbk h ASP 248 Cb 0.80 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1qbk h ASP 248 CO 0.00 1.08 -0.58 -2.11 -1.72 0.00 0.00 179.24 175.92 1qbk n ARG 249 N -3.84 0.20 0.10 3.56 0.00 -1.26 -3.74 116.66 111.69 1qbk n ARG 249 Ca -0.05 0.06 -0.19 0.00 -0.00 0.00 0.00 57.85 57.67 1qbk n ARG 249 Cb 0.71 -1.63 -0.15 0.00 -0.00 0.00 0.00 32.46 31.40 1qbk n ARG 249 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1qbk h LEU 250 N 0.00 0.55 -0.88 2.89 3.38 -1.85 -3.30 115.31 116.10 1qbk h LEU 250 Ca 0.00 -0.63 0.24 0.00 0.09 0.00 0.00 57.88 57.58 1qbk h LEU 250 Cb 0.67 -0.18 -0.16 0.00 0.09 0.00 0.00 40.66 41.08 1qbk h LEU 250 CO 0.00 1.50 0.02 0.18 0.09 0.00 0.00 178.44 180.23 1qbk n LEU 251 N -3.57 -0.10 0.00 1.67 4.77 -1.13 -3.00 117.00 115.64 1qbk n LEU 251 Ca -0.14 1.50 0.00 0.00 -0.03 0.00 0.00 56.01 57.34 1qbk n LEU 251 Cb 1.06 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1qbk n LEU 251 CO 0.55 -1.52 0.00 -2.65 -1.33 0.00 0.00 177.39 172.44 1qbk n PRO 252 N -5.28 0.00 -1.93 3.23 -0.02 -1.24 -4.78 135.00 124.97 1qbk n PRO 252 Ca 0.21 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.27 1qbk n PRO 252 Cb 0.68 -0.32 -0.03 0.00 -0.02 0.00 0.00 33.50 33.81 1qbk n PRO 252 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1qbk s HIS 253 N 0.00 1.65 0.00 6.00 3.76 -1.16 -4.91 115.29 120.62 1qbk s HIS 253 Ca 0.00 0.73 0.00 0.00 -0.15 0.00 0.00 55.06 55.64 1qbk s HIS 253 Cb 0.00 -4.05 0.00 0.00 1.11 0.00 0.00 32.58 29.64 1qbk s HIS 253 CO 0.00 -2.90 0.00 1.58 -0.85 0.00 0.00 174.74 172.57 1qbk n HIS 255 N 11.39 0.00 -0.02 1.40 -0.00 -1.26 -4.39 115.22 122.33 1qbk n HIS 255 Ca 0.24 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.40 1qbk n HIS 255 Cb 0.48 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.34 1qbk n HIS 255 CO 0.00 0.00 0.00 0.27 0.46 0.00 0.00 176.34 177.07 1qbk n ASN 256 N 0.00 3.47 -0.34 0.26 6.94 -1.26 -4.41 115.26 119.92 1qbk n ASN 256 Ca 0.00 -0.01 0.08 0.00 -0.02 0.00 0.00 54.58 54.63 1qbk n ASN 256 Cb 0.00 -0.06 0.27 0.00 -2.36 0.00 0.00 39.78 37.63 1qbk n ASN 256 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 1qbk h ILE 257 N -0.01 0.90 0.00 1.53 5.03 -1.92 0.98 117.51 124.03 1qbk h ILE 257 Ca -0.08 -0.32 -0.04 0.00 -0.12 0.00 0.00 64.86 64.31 1qbk h ILE 257 Cb 1.11 -0.11 -0.01 0.00 -3.03 0.00 0.00 36.82 34.79 1qbk h ILE 257 CO -0.01 0.17 -0.18 1.62 -0.68 0.00 0.00 178.15 179.07 1qbk h VAL 258 N 0.93 0.50 0.13 1.67 3.04 -1.93 -3.13 116.25 117.47 1qbk h VAL 258 Ca 0.49 -0.91 -0.36 0.00 -1.01 0.00 0.00 66.70 64.90 1qbk h VAL 258 Cb 0.54 1.63 -0.01 0.00 -2.01 0.00 0.00 31.29 31.43 1qbk h VAL 258 CO -0.25 0.17 -1.95 -0.33 -1.01 0.00 0.00 177.57 174.20 1qbk h GLU 259 N 0.00 0.28 -1.77 4.17 5.08 -0.46 -2.41 114.58 119.47 1qbk h GLU 259 Ca -0.00 -0.48 -0.42 0.00 -1.00 0.00 0.00 59.36 57.46 1qbk h GLU 259 Cb 0.61 0.18 -0.16 0.00 0.50 0.00 0.00 28.75 29.88 1qbk h GLU 259 CO 0.02 1.22 0.39 0.66 -1.00 0.00 0.00 179.01 180.29 1qbk n TYR 260 N -3.49 1.55 0.00 4.33 0.53 0.30 -4.14 117.16 116.23 1qbk n TYR 260 Ca -0.30 -1.96 0.00 0.00 -1.02 0.00 0.00 57.90 54.62 1qbk n TYR 260 Cb 1.05 -1.21 0.00 0.00 -1.03 0.00 0.00 39.34 38.16 1qbk n TYR 260 CO 0.00 0.00 0.00 1.47 -1.02 0.00 0.00 176.86 177.31 1qbk n LEU 262 N 0.67 0.00 0.00 7.72 -0.00 -0.91 -4.53 117.00 119.95 1qbk n LEU 262 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.42 1qbk n LEU 262 Cb 0.58 -0.03 0.00 0.00 -0.00 0.00 0.00 43.42 43.97 1qbk n LEU 262 CO 0.35 0.00 -0.31 0.00 -0.00 0.00 0.00 177.39 177.44 1qbk n GLN 263 N 0.09 2.39 0.00 1.47 -0.00 -1.26 -4.59 117.38 115.49 1qbk n GLN 263 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.00 57.12 1qbk n GLN 263 Cb 0.00 -0.81 0.55 0.00 -0.00 0.00 0.00 30.24 29.99 1qbk n GLN 263 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 1qbk n ARG 264 N -1.19 0.17 0.00 2.61 3.00 -1.26 -0.25 116.66 119.74 1qbk n ARG 264 Ca 0.00 0.08 0.11 0.00 -0.00 0.00 0.00 57.85 58.04 1qbk n ARG 264 Cb 0.17 -1.50 0.05 0.00 0.00 0.00 0.00 32.46 31.18 1qbk n ARG 264 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1qbk n THR 265 N -1.39 0.00 -0.01 5.15 -1.04 -1.26 -4.01 114.28 111.71 1qbk n THR 265 Ca 0.09 -0.01 -0.04 0.00 -2.04 0.00 0.00 64.05 62.05 1qbk n THR 265 Cb 0.23 0.67 -0.12 0.00 -1.82 0.00 0.00 70.33 69.29 1qbk n THR 265 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1qbk n GLN 266 N -1.46 0.64 -1.48 -2.82 -0.06 0.66 -4.41 117.38 108.45 1qbk n GLN 266 Ca 0.05 0.18 -0.61 0.00 -2.00 0.00 0.00 57.00 54.62 1qbk n GLN 266 Cb 0.34 -1.74 -0.10 0.00 -4.06 0.00 0.00 30.24 24.67 1qbk n GLN 266 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 1qbk n ASP 267 N -2.87 1.22 -0.18 1.69 5.75 -0.88 -4.75 116.55 116.53 1qbk n ASP 267 Ca -0.15 0.85 0.16 0.00 -0.01 0.00 0.00 54.79 55.64 1qbk n ASP 267 Cb 0.94 -0.96 0.27 0.00 -1.03 0.00 0.00 41.12 40.34 1qbk n ASP 267 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1qbk n GLN 268 N 6.25 -0.02 -1.97 0.11 1.13 -1.26 -4.25 117.38 117.37 1qbk n GLN 268 Ca 0.43 0.52 -0.40 0.00 -1.94 0.00 0.00 57.00 55.61 1qbk n GLN 268 Cb 0.00 -1.00 -0.03 0.00 0.11 0.00 0.00 30.24 29.32 1qbk n GLN 268 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1qbk s ASP 269 N -4.54 5.43 0.22 1.08 2.15 -1.26 -4.85 116.67 114.90 1qbk s ASP 269 Ca -0.03 0.81 -0.14 0.00 0.43 0.00 0.00 52.55 53.62 1qbk s ASP 269 Cb 0.13 -2.52 0.26 0.00 -0.30 0.00 0.00 42.92 40.48 1qbk s ASP 269 CO 0.33 -2.16 1.61 -0.08 -0.17 0.00 0.00 175.17 174.69 1qbk h GLU 270 N 14.61 -0.03 -1.07 4.34 4.22 -1.96 -0.73 114.58 133.97 1qbk h GLU 270 Ca -0.29 0.00 0.28 0.00 0.08 0.00 0.00 59.36 59.44 1qbk h GLU 270 Cb 1.18 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.34 1qbk h GLU 270 CO 1.14 -0.02 0.69 -0.97 -2.18 0.00 0.00 179.01 177.67 1qbk h ASN 271 N -0.03 0.40 0.34 1.04 -1.24 -1.92 -2.37 115.58 111.81 1qbk h ASN 271 Ca 0.32 0.08 -0.02 0.00 0.71 0.00 0.00 56.30 57.40 1qbk h ASN 271 Cb 0.53 0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.60 1qbk h ASN 271 CO -0.72 0.06 -0.16 0.58 -1.29 0.00 0.00 177.43 175.89 1qbk h VAL 272 N 0.34 0.00 -1.32 2.57 2.07 -1.45 -3.13 116.25 115.33 1qbk h VAL 272 Ca 0.61 -0.31 0.46 0.00 0.82 0.00 0.00 66.70 68.28 1qbk h VAL 272 Cb 1.64 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 31.27 1qbk h VAL 272 CO -0.29 0.00 0.84 0.00 0.02 0.00 0.00 177.57 178.14 1qbk n ALA 273 N -2.47 1.31 -0.06 1.67 0.00 -0.93 0.91 120.51 120.94 1qbk n ALA 273 Ca -0.06 0.85 -0.14 0.00 0.00 0.00 0.00 53.44 54.09 1qbk n ALA 273 Cb 0.18 -1.02 -0.06 0.00 0.00 0.00 0.00 19.45 18.54 1qbk n ALA 273 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1qbk h LEU 274 N 0.00 0.64 -1.82 0.00 5.85 -1.51 0.48 115.31 118.95 1qbk h LEU 274 Ca 0.85 -0.54 -0.02 0.00 0.84 0.00 0.00 57.88 59.02 1qbk h LEU 274 Cb 2.72 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 43.57 1qbk h LEU 274 CO -0.46 1.06 -0.09 -0.08 -0.34 0.00 0.00 178.44 178.53 1qbk h GLU 275 N 0.25 0.00 0.00 1.25 4.57 0.59 -2.23 114.58 119.01 1qbk h GLU 275 Ca 0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1qbk h GLU 275 Cb 0.94 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.53 1qbk h GLU 275 CO 0.08 0.09 0.00 0.00 -1.18 0.00 0.00 179.01 177.99 1qbk n ALA 276 N -2.19 0.00 -0.27 2.92 0.00 -0.25 -3.51 120.51 117.21 1qbk n ALA 276 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.40 1qbk n ALA 276 Cb 0.26 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.71 1qbk n ALA 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qbk n GLU 278 N -4.97 0.00 0.27 0.00 2.13 -0.84 -1.75 120.64 115.49 1qbk n GLU 278 Ca 0.05 0.28 0.07 0.00 0.66 0.00 0.00 57.16 58.23 1qbk n GLU 278 Cb 0.24 -1.09 0.40 0.00 0.27 0.00 0.00 31.44 31.26 1qbk n GLU 278 CO 0.00 0.00 0.00 0.74 -0.41 0.00 0.00 177.13 177.46 1qbk h PHE 279 N 0.00 0.00 0.00 4.31 0.05 -1.30 -3.14 116.94 116.86 1qbk h PHE 279 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1qbk h PHE 279 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 35.95 37.95 1qbk h PHE 279 CO -0.04 0.00 0.00 1.87 -0.18 0.00 0.00 178.31 179.96 1qbk n TRP 280 N -2.44 0.00 -0.67 -0.55 -0.00 0.37 -4.39 117.44 109.75 1qbk n TRP 280 Ca -0.01 0.00 -0.45 0.00 -0.00 0.00 0.00 57.50 57.05 1qbk n TRP 280 Cb 0.57 -0.14 -0.10 0.00 -0.00 0.00 0.00 31.31 31.63 1qbk n TRP 280 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 1qbk n LEU 281 N -0.93 1.81 -2.90 5.87 7.99 -0.72 -4.44 117.00 123.69 1qbk n LEU 281 Ca 0.00 -1.87 -0.27 0.00 -0.01 0.00 0.00 56.01 53.86 1qbk n LEU 281 Cb 0.00 -0.66 -0.03 0.00 -0.11 0.00 0.00 43.42 42.61 1qbk n LEU 281 CO 0.00 -1.57 0.19 0.41 -1.51 0.00 0.00 177.39 174.90 1qbk n THR 282 N 6.74 3.07 -1.91 -5.08 -1.04 -1.26 -4.85 114.28 109.95 1qbk n THR 282 Ca 0.48 -5.51 -0.23 0.00 -2.04 0.00 0.00 64.05 56.74 1qbk n THR 282 Cb 0.42 -1.39 -0.07 0.00 -1.82 0.00 0.00 70.33 67.47 1qbk n THR 282 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1qbk s LEU 283 N -3.51 2.90 0.00 -4.42 1.43 -1.26 -4.91 118.68 108.90 1qbk s LEU 283 Ca 0.49 -1.12 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 1qbk s LEU 283 Cb 0.29 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.93 1qbk s LEU 283 CO -0.15 -3.48 0.00 0.00 0.23 0.00 0.00 176.35 172.95 1qbk n ALA 284 N 15.97 0.00 -1.68 4.21 0.00 -1.26 -4.94 120.51 132.81 1qbk n ALA 284 Ca 0.43 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.52 1qbk n ALA 284 Cb 0.46 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.94 1qbk n ALA 284 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1qbk s GLU 285 N 0.00 3.03 0.00 0.00 1.03 -1.26 -4.82 118.70 116.68 1qbk s GLU 285 Ca 0.00 1.64 0.00 0.00 0.03 0.00 0.00 54.97 56.64 1qbk s GLU 285 Cb 0.00 -1.96 0.00 0.00 -0.80 0.00 0.00 34.13 31.37 1qbk s GLU 285 CO 0.00 -1.12 0.00 0.00 -1.33 0.00 0.00 175.26 172.81 1qbk n GLN 286 N -1.73 0.00 0.09 -4.83 10.64 -1.26 -0.36 117.38 119.93 1qbk n GLN 286 Ca 0.12 0.00 0.16 0.00 -1.83 0.00 0.00 57.00 55.45 1qbk n GLN 286 Cb 0.51 0.00 0.39 0.00 -0.86 0.00 0.00 30.24 30.28 1qbk n GLN 286 CO 0.00 0.00 0.00 -1.35 -1.83 0.00 0.00 177.06 173.88 1qbk h PRO 287 N 0.00 0.00 -0.04 2.61 0.11 -2.01 1.34 132.00 134.01 1qbk h PRO 287 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1qbk h PRO 287 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1qbk h PRO 287 CO 0.00 0.00 0.00 -0.89 -0.21 0.00 0.00 178.00 176.90 1qbk n ILE 288 N -3.01 0.00 -0.41 4.15 5.41 0.51 -2.84 119.36 123.18 1qbk n ILE 288 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.84 1qbk n ILE 288 Cb 1.05 -0.03 0.00 0.00 -0.71 0.00 0.00 39.64 39.95 1qbk n ILE 288 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1qbk h LYS 290 N 0.00 0.09 0.13 0.00 1.79 -1.55 -2.87 116.57 114.16 1qbk h LYS 290 Ca 0.00 -0.05 -0.24 0.00 -2.18 0.00 0.00 60.65 58.18 1qbk h LYS 290 Cb 0.20 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.87 1qbk h LYS 290 CO 0.00 0.59 -1.13 0.38 -1.08 0.00 0.00 179.45 178.21 1qbk h ASP 291 N 0.07 0.44 0.00 0.86 3.04 -1.82 -3.26 116.42 115.75 1qbk h ASP 291 Ca -0.00 -0.90 0.00 0.00 -3.24 0.00 0.00 57.03 52.89 1qbk h ASP 291 Cb 0.94 -0.14 0.00 0.00 -1.04 0.00 0.00 39.33 39.09 1qbk h ASP 291 CO 0.07 1.52 0.17 0.58 -2.04 0.00 0.00 179.24 179.54 1qbk h VAL 292 N -0.32 0.00 0.55 4.15 2.07 -1.72 -1.77 116.25 119.21 1qbk h VAL 292 Ca -0.23 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 1qbk h VAL 292 Cb 1.72 0.49 0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1qbk h VAL 292 CO 0.11 0.00 -0.26 0.25 0.02 0.00 0.00 177.57 177.69 1qbk h LEU 293 N 0.00 -0.62 -0.78 2.57 5.85 -1.55 -1.60 115.31 119.18 1qbk h LEU 293 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1qbk h LEU 293 Cb 0.34 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1qbk h LEU 293 CO 0.00 -0.40 0.00 0.58 -0.34 0.00 0.00 178.44 178.28 1qbk h VAL 294 N -0.80 0.00 -0.31 1.05 2.07 -1.54 -2.99 116.25 113.73 1qbk h VAL 294 Ca -0.08 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1qbk h VAL 294 Cb 0.59 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1qbk h VAL 294 CO 0.12 0.00 0.00 0.54 0.02 0.00 0.00 177.57 178.25 1qbk n ARG 295 N -2.40 2.69 -0.00 1.57 5.12 -0.64 -4.39 116.66 118.61 1qbk n ARG 295 Ca 0.02 -1.52 -0.12 0.00 -1.93 0.00 0.00 57.85 54.30 1qbk n ARG 295 Cb 0.26 -1.74 -0.07 0.00 -1.16 0.00 0.00 32.46 29.75 1qbk n ARG 295 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1qbk h HIS 296 N 2.04 0.09 0.00 -1.55 -0.00 -1.31 -3.11 115.15 111.31 1qbk h HIS 296 Ca 0.00 -0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.30 1qbk h HIS 296 Cb 1.06 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 28.44 1qbk h HIS 296 CO 0.48 0.24 -0.97 1.25 -0.00 0.00 0.00 177.93 178.92 1qbk h LEU 297 N -0.08 0.00 -1.27 0.26 5.85 -1.88 -3.30 115.31 114.90 1qbk h LEU 297 Ca 0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1qbk h LEU 297 Cb 0.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1qbk h LEU 297 CO -0.00 0.23 0.00 -2.65 -0.34 0.00 0.00 178.44 175.67 1qbk n PRO 298 N -2.84 0.58 0.00 5.25 -0.02 -1.17 -3.94 135.00 132.86 1qbk n PRO 298 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 1qbk n PRO 298 Cb 0.66 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.87 1qbk n PRO 298 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1qbk n LYS 299 N 0.34 0.00 -0.29 -0.52 4.81 -1.25 -4.96 118.16 116.30 1qbk n LYS 299 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 1qbk n LYS 299 Cb 0.18 0.00 0.09 0.00 0.02 0.00 0.00 35.03 35.32 1qbk n LYS 299 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1qbk n LEU 300 N 0.00 3.03 0.00 3.14 4.32 -1.24 -2.52 117.00 123.73 1qbk n LEU 300 Ca 0.00 -1.55 0.00 0.00 -0.02 0.00 0.00 56.01 54.44 1qbk n LEU 300 Cb 0.00 -0.57 0.00 0.00 -1.62 0.00 0.00 43.42 41.23 1qbk n LEU 300 CO 0.00 0.48 -0.44 -0.38 -1.22 0.00 0.00 177.39 175.83 1qbk n ILE 301 N 0.12 0.00 0.03 -0.08 5.41 -1.26 -4.51 119.36 119.07 1qbk n ILE 301 Ca 0.12 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.74 1qbk n ILE 301 Cb 0.65 -0.73 -0.09 0.00 -0.71 0.00 0.00 39.64 38.75 1qbk n ILE 301 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1qbk h PRO 302 N 0.00 -0.12 0.79 0.38 0.13 -1.85 -0.61 132.00 130.71 1qbk h PRO 302 Ca 0.00 0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 1qbk h PRO 302 Cb 0.87 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.03 1qbk h PRO 302 CO 0.00 0.36 -0.46 0.28 -0.23 0.00 0.00 178.00 177.94 1qbk h VAL 303 N -0.68 0.07 -0.94 1.56 2.07 -1.81 -0.69 116.25 115.82 1qbk h VAL 303 Ca -0.01 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.79 1qbk h VAL 303 Cb 0.54 0.07 -0.16 0.00 -1.52 0.00 0.00 31.29 30.21 1qbk h VAL 303 CO 0.02 0.00 0.26 0.25 0.02 0.00 0.00 177.57 178.12 1qbk h LEU 304 N -1.17 -0.03 -6.38 2.57 6.46 -1.77 0.19 115.31 115.18 1qbk h LEU 304 Ca -0.10 0.23 -0.76 0.00 -0.12 0.00 0.00 57.88 57.12 1qbk h LEU 304 Cb 0.93 0.31 -0.17 0.00 -0.73 0.00 0.00 40.66 41.01 1qbk h LEU 304 CO 0.12 -0.25 1.92 0.52 -0.62 0.00 0.00 178.44 180.13 1qbk n VAL 305 N -5.28 4.61 0.00 1.05 0.31 -0.23 -1.82 118.33 116.97 1qbk n VAL 305 Ca 0.25 -4.60 0.00 0.00 -0.01 0.00 0.00 64.34 59.98 1qbk n VAL 305 Cb 0.82 -2.27 0.00 0.00 -0.91 0.00 0.00 33.84 31.48 1qbk n VAL 305 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1qbk n ASN 306 N 3.20 0.00 -3.07 4.52 2.85 0.62 -4.78 115.26 118.60 1qbk n ASN 306 Ca 0.41 0.00 -0.08 0.00 -0.11 0.00 0.00 54.58 54.80 1qbk n ASN 306 Cb 0.34 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.35 1qbk n ASN 306 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1qbk n GLY 307 N -0.24 1.90 3.42 8.20 0.00 -0.75 -4.29 105.19 113.43 1qbk n GLY 307 Ca 0.00 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 1qbk n GLY 307 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qbk s LYS 309 N 4.80 1.70 1.29 1.61 1.02 -1.26 -4.26 119.74 124.63 1qbk s LYS 309 Ca 0.13 -1.19 -0.20 0.00 0.02 0.00 0.00 55.97 54.73 1qbk s LYS 309 Cb 0.03 -2.03 0.32 0.00 -0.52 0.00 0.00 37.83 35.63 1qbk s LYS 309 CO 0.02 0.49 1.02 0.71 -0.92 0.00 0.00 175.35 176.66 1qbk s TYR 310 N -1.02 0.16 -0.15 3.18 1.51 -1.26 -4.82 117.35 114.95 1qbk s TYR 310 Ca 0.15 0.62 0.20 0.00 -1.01 0.00 0.00 57.07 57.02 1qbk s TYR 310 Cb -0.10 -3.17 0.38 0.00 -0.11 0.00 0.00 41.96 38.95 1qbk s TYR 310 CO 0.06 -4.32 1.59 0.77 -1.11 0.00 0.00 175.55 172.54 1qbk h SER 311 N -2.93 0.00 0.00 2.29 0.02 -2.05 -2.66 113.55 108.23 1qbk h SER 311 Ca -0.46 0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.09 1qbk h SER 311 Cb 1.32 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.79 1qbk h SER 311 CO 0.34 0.30 -2.47 -0.90 -1.14 0.00 0.00 176.83 172.96 1qbk n ASP 312 N -3.23 1.98 0.18 3.07 3.85 -1.26 -2.58 116.55 118.56 1qbk n ASP 312 Ca 0.02 -0.06 0.13 0.00 -0.71 0.00 0.00 54.79 54.17 1qbk n ASP 312 Cb 0.60 -0.49 0.64 0.00 -1.35 0.00 0.00 41.12 40.53 1qbk n ASP 312 CO 0.00 0.00 0.00 0.40 -1.01 0.00 0.00 177.20 176.59 1qbk h ILE 313 N -0.14 0.00 0.03 2.12 1.08 -1.93 1.43 117.51 120.10 1qbk h ILE 313 Ca -0.59 -0.09 -0.27 0.00 -0.39 0.00 0.00 64.86 63.52 1qbk h ILE 313 Cb 1.86 0.73 -0.03 0.00 -3.07 0.00 0.00 36.82 36.32 1qbk h ILE 313 CO -0.13 0.00 -1.41 -0.78 -0.69 0.00 0.00 178.15 175.13 1qbk h ASP 314 N 0.00 0.11 0.33 1.72 1.82 -1.58 -3.14 116.42 115.67 1qbk h ASP 314 Ca 0.00 -0.16 -0.02 0.00 -0.39 0.00 0.00 57.03 56.46 1qbk h ASP 314 Cb 0.13 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.11 1qbk h ASP 314 CO 0.00 1.14 -0.16 0.40 -1.61 0.00 0.00 179.24 179.01 1qbk h ILE 315 N 0.02 0.54 -0.11 2.25 2.04 0.19 -1.61 117.51 120.83 1qbk h ILE 315 Ca -0.18 -0.72 0.03 0.00 1.00 0.00 0.00 64.86 64.99 1qbk h ILE 315 Cb 1.93 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 38.84 1qbk h ILE 315 CO 0.12 0.11 0.33 0.40 0.00 0.00 0.00 178.15 179.11 1qbk h ILE 316 N -0.91 0.12 0.00 -0.67 2.04 -0.16 -2.97 117.51 114.96 1qbk h ILE 316 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1qbk h ILE 316 Cb 0.52 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1qbk h ILE 316 CO 0.07 0.00 -0.07 0.18 0.00 0.00 0.00 178.15 178.33 1qbk n LEU 317 N -3.16 0.26 -0.26 1.44 4.32 -1.19 -4.30 117.00 114.11 1qbk n LEU 317 Ca 0.00 0.29 0.20 0.00 -0.02 0.00 0.00 56.01 56.48 1qbk n LEU 317 Cb 0.41 -0.55 0.31 0.00 -1.62 0.00 0.00 43.42 41.97 1qbk n LEU 317 CO 0.18 -0.50 0.57 -0.11 -1.22 0.00 0.00 177.39 176.31 1qbk n LEU 318 N -2.60 0.02 0.00 2.23 7.94 -0.61 -1.73 117.00 122.25 1qbk n LEU 318 Ca -0.01 0.44 0.00 0.00 -1.11 0.00 0.00 56.01 55.33 1qbk n LEU 318 Cb 0.04 -0.22 0.00 0.00 0.53 0.00 0.00 43.42 43.77 1qbk n LEU 318 CO 0.02 -0.45 0.17 0.29 -1.11 0.00 0.00 177.39 176.30 1qbk n LYS 319 N -2.94 0.00 -1.49 1.96 5.02 -1.16 -0.47 118.16 119.07 1qbk n LYS 319 Ca 0.17 0.33 -0.32 0.00 -2.02 0.00 0.00 58.31 56.48 1qbk n LYS 319 Cb 0.76 -0.65 0.03 0.00 -0.02 0.00 0.00 35.03 35.14 1qbk n LYS 319 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qbk n GLY 320 N -0.83 5.10 0.51 0.72 0.00 -0.71 -4.27 105.19 105.71 1qbk n GLY 320 Ca 0.00 -2.07 -0.11 0.00 0.00 0.00 0.00 46.02 43.85 1qbk n GLY 320 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1qbk n ASP 321 N -0.15 1.37 -4.45 1.61 2.03 0.38 -4.61 116.55 112.74 1qbk n ASP 321 Ca 0.51 0.22 -0.45 0.00 0.52 0.00 0.00 54.79 55.59 1qbk n ASP 321 Cb 0.48 -0.52 -0.12 0.00 -0.72 0.00 0.00 41.12 40.24 1qbk n ASP 321 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1qbk n VAL 322 N -3.89 0.01 -1.47 5.18 0.31 -1.13 -4.62 118.33 112.72 1qbk n VAL 322 Ca -0.19 -0.13 -0.17 0.00 -0.01 0.00 0.00 64.34 63.84 1qbk n VAL 322 Cb 0.49 -0.93 -0.15 0.00 -0.91 0.00 0.00 33.84 32.34 1qbk n VAL 322 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1qbk n GLU 323 N 8.32 0.17 0.00 5.55 2.13 -1.26 -4.08 120.64 131.48 1qbk n GLU 323 Ca 0.57 -0.35 0.00 0.00 0.66 0.00 0.00 57.16 58.04 1qbk n GLU 323 Cb 0.10 -1.98 0.00 0.00 0.27 0.00 0.00 31.44 29.84 1qbk n GLU 323 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1qbk n GLU 324 N 6.54 0.00 0.00 5.31 2.13 -1.26 -4.85 120.64 128.51 1qbk n GLU 324 Ca 0.53 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.35 1qbk n GLU 324 Cb 0.28 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.99 1qbk n GLU 324 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1qbk n ASP 325 N 0.00 0.00 0.00 4.31 5.75 -1.26 -4.87 116.55 120.48 1qbk n ASP 325 Ca 0.00 -0.63 0.04 0.00 -0.01 0.00 0.00 54.79 54.18 1qbk n ASP 325 Cb 0.00 0.00 0.22 0.00 -1.03 0.00 0.00 41.12 40.31 1qbk n ASP 325 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1qbk n GLU 326 N 0.00 0.19 0.00 0.11 0.28 -1.26 -0.40 120.64 119.56 1qbk n GLU 326 Ca 0.00 0.09 0.00 0.00 -0.16 0.00 0.00 57.16 57.09 1qbk n GLU 326 Cb 0.16 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.53 1qbk n GLU 326 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1qbk n THR 327 N -1.13 0.37 -3.38 3.84 -2.24 -1.26 -4.82 114.28 105.66 1qbk n THR 327 Ca 0.05 -0.53 -0.39 0.00 -2.27 0.00 0.00 64.05 60.91 1qbk n THR 327 Cb 0.04 0.96 -0.09 0.00 -2.10 0.00 0.00 70.33 69.15 1qbk n THR 327 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1qbk s ILE 328 N -0.37 5.17 0.56 2.28 1.01 0.47 -5.05 121.20 125.27 1qbk s ILE 328 Ca 0.00 0.62 -0.21 0.00 0.00 0.00 0.00 60.65 61.06 1qbk s ILE 328 Cb 0.00 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 1qbk s ILE 328 CO 0.00 0.17 1.31 -2.65 0.00 0.00 0.00 174.94 173.78 1qbk n PRO 329 N 5.15 1.54 -3.10 2.79 -0.02 -1.26 -4.95 135.00 135.14 1qbk n PRO 329 Ca -0.08 0.57 -0.40 0.00 -2.02 0.00 0.00 63.50 61.57 1qbk n PRO 329 Cb 0.51 -2.52 -0.05 0.00 -0.02 0.00 0.00 33.50 31.41 1qbk n PRO 329 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1qbk s ASP 330 N -1.00 6.78 0.63 2.55 1.01 -1.26 -5.05 116.67 120.33 1qbk s ASP 330 Ca 0.73 0.95 -0.19 0.00 0.71 0.00 0.00 52.55 54.75 1qbk s ASP 330 Cb -0.42 -2.37 -0.02 0.00 1.01 0.00 0.00 42.92 41.13 1qbk s ASP 330 CO 0.48 -0.21 1.29 -0.55 0.21 0.00 0.00 175.17 176.39 1qbk s SER 331 N 1.03 4.76 0.30 0.27 0.15 -1.26 -4.90 113.70 114.04 1qbk s SER 331 Ca 0.31 2.61 0.26 0.00 0.70 0.00 0.00 55.95 59.83 1qbk s SER 331 Cb -0.16 -2.62 0.95 0.00 -1.71 0.00 0.00 66.02 62.48 1qbk s SER 331 CO 0.12 -1.90 1.76 1.05 1.20 0.00 0.00 173.24 175.47 1qbk h GLU 332 N 0.70 0.00 -0.32 5.44 4.11 -1.98 -2.55 114.58 119.98 1qbk h GLU 332 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.92 1qbk h GLU 332 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1qbk h GLU 332 CO 0.54 0.00 0.00 1.04 0.07 0.00 0.00 179.01 180.66 1qbk n GLN 333 N -2.42 1.84 -0.02 1.06 6.02 -1.26 -3.45 117.38 119.15 1qbk n GLN 333 Ca 0.03 -1.29 0.01 0.00 -0.01 0.00 0.00 57.00 55.74 1qbk n GLN 333 Cb 0.32 -1.32 0.02 0.00 1.02 0.00 0.00 30.24 30.27 1qbk n GLN 333 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1qbk n ASP 334 N 0.54 1.76 -4.33 1.08 8.00 -0.96 -4.89 116.55 117.75 1qbk n ASP 334 Ca 0.14 -1.64 -0.47 0.00 0.71 0.00 0.00 54.79 53.52 1qbk n ASP 334 Cb 0.32 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.38 1qbk n ASP 334 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1qbk s ILE 335 N -0.67 5.66 0.24 0.53 -1.09 -1.22 -5.01 121.20 119.62 1qbk s ILE 335 Ca 0.03 -2.57 -0.31 0.00 -2.23 0.00 0.00 60.65 55.57 1qbk s ILE 335 Cb 0.02 -4.48 -0.12 0.00 -1.58 0.00 0.00 42.46 36.29 1qbk s ILE 335 CO 0.02 -1.05 1.63 -1.14 -1.23 0.00 0.00 174.94 173.17 1qbk n ARG 336 N 3.84 2.59 -1.65 2.79 0.63 -1.26 -4.88 116.66 118.72 1qbk n ARG 336 Ca 0.15 0.93 -0.44 0.00 -0.92 0.00 0.00 57.85 57.56 1qbk n ARG 336 Cb 0.46 -2.72 -0.02 0.00 0.45 0.00 0.00 32.46 30.63 1qbk n ARG 336 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1qbk n PRO 337 N 3.02 1.84 -4.42 -0.14 -0.02 -1.26 -5.00 135.00 129.02 1qbk n PRO 337 Ca 0.13 0.65 -0.23 0.00 -2.02 0.00 0.00 63.50 62.03 1qbk n PRO 337 Cb 0.34 -2.20 -0.13 0.00 -0.02 0.00 0.00 33.50 31.49 1qbk n PRO 337 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1qbk s ARG 338 N -1.17 1.12 0.29 -0.52 3.52 -1.26 -5.16 118.95 115.76 1qbk s ARG 338 Ca 0.62 -0.92 0.02 0.00 -0.13 0.00 0.00 55.73 55.32 1qbk s ARG 338 Cb -0.65 -1.21 -0.01 0.00 -1.56 0.00 0.00 34.95 31.52 1qbk s ARG 338 CO 0.57 0.30 0.06 1.19 -0.81 0.00 0.00 175.30 176.61 1qbk n PHE 339 N 1.67 0.31 -4.83 5.12 3.01 -1.26 -5.11 117.46 116.37 1qbk n PHE 339 Ca -0.18 -1.68 -0.29 0.00 1.01 0.00 0.00 57.45 56.30 1qbk n PHE 339 Cb 0.54 -0.07 -0.17 0.00 -0.01 0.00 0.00 39.48 39.77 1qbk n PHE 339 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1qbk s HIS 340 N -2.43 2.12 -0.23 1.38 2.46 -1.26 -5.02 115.29 112.31 1qbk s HIS 340 Ca 0.09 -0.89 -0.09 0.00 0.47 0.00 0.00 55.06 54.64 1qbk s HIS 340 Cb 0.00 -1.47 -0.04 0.00 -0.13 0.00 0.00 32.58 30.94 1qbk s HIS 340 CO 0.06 -0.40 0.11 -0.98 -2.47 0.00 0.00 174.74 171.06 1qbk s ARG 341 N 0.60 3.93 0.11 2.88 3.03 -1.26 -4.98 118.95 123.27 1qbk s ARG 341 Ca -0.14 -0.35 -0.35 0.00 2.03 0.00 0.00 55.73 56.92 1qbk s ARG 341 Cb -0.17 -3.39 -0.15 0.00 -1.03 0.00 0.00 34.95 30.22 1qbk s ARG 341 CO 0.04 0.05 1.53 0.45 -1.13 0.00 0.00 175.30 176.25 1qbk n SER 342 N 4.26 2.67 -4.71 -2.89 2.88 -1.26 -4.88 113.62 109.70 1qbk n SER 342 Ca -0.16 1.09 -0.41 0.00 -1.33 0.00 0.00 58.87 58.06 1qbk n SER 342 Cb 0.52 -1.34 0.01 0.00 -0.75 0.00 0.00 64.21 62.65 1qbk n SER 342 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1qbk n ARG 343 N 3.43 1.95 -3.97 -1.46 1.85 -1.26 -4.98 116.66 112.21 1qbk n ARG 343 Ca 0.18 0.69 -0.34 0.00 -1.00 0.00 0.00 57.85 57.38 1qbk n ARG 343 Cb 0.25 -2.40 -0.15 0.00 -1.05 0.00 0.00 32.46 29.11 1qbk n ARG 343 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1qbk s THR 344 N -1.20 2.88 -0.16 8.89 2.01 -1.26 -4.75 115.64 122.05 1qbk s THR 344 Ca 0.61 -0.81 -0.29 0.00 0.31 0.00 0.00 61.69 61.51 1qbk s THR 344 Cb -0.50 -2.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.62 1qbk s THR 344 CO 0.58 0.35 1.62 -0.69 -0.69 0.00 0.00 174.62 175.80 1qbk s VAL 345 N 1.37 3.67 0.25 3.82 1.01 -1.26 -4.97 120.40 124.30 1qbk s VAL 345 Ca 0.03 0.78 0.02 0.00 0.00 0.00 0.00 61.98 62.81 1qbk s VAL 345 Cb -0.15 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 1qbk s VAL 345 CO -0.06 -0.20 0.06 0.00 0.00 0.00 0.00 175.10 174.90 1qbk n ALA 346 N 8.00 0.30 -2.70 5.51 0.00 -1.26 -4.88 120.51 125.47 1qbk n ALA 346 Ca 0.18 -1.21 -0.31 0.00 0.00 0.00 0.00 53.44 52.10 1qbk n ALA 346 Cb 0.44 0.76 -0.08 0.00 0.00 0.00 0.00 19.45 20.58 1qbk n ALA 346 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1qbk s GLN 347 N -2.93 2.14 0.18 0.00 -1.52 -1.26 -5.13 119.66 111.14 1qbk s GLN 347 Ca 0.08 -2.30 0.09 0.00 -1.95 0.00 0.00 55.36 51.28 1qbk s GLN 347 Cb 0.00 -1.59 -0.04 0.00 -0.22 0.00 0.00 33.01 31.16 1qbk s GLN 347 CO 0.06 -0.29 -0.12 -0.65 -0.25 0.00 0.00 175.29 174.04 1qbk s GLN 348 N -3.85 1.98 -0.43 2.91 1.11 -1.26 -5.08 119.66 115.04 1qbk s GLN 348 Ca 0.15 -1.31 0.09 0.00 0.01 0.00 0.00 55.36 54.31 1qbk s GLN 348 Cb 0.04 -2.11 0.31 0.00 -1.01 0.00 0.00 33.01 30.23 1qbk s GLN 348 CO 0.08 0.43 0.70 0.72 0.01 0.00 0.00 175.29 177.23 1qbk n HIS 349 N 0.07 0.94 -4.88 0.91 8.25 -1.26 -2.49 115.22 116.76 1qbk n HIS 349 Ca -0.11 -3.80 0.00 0.00 -0.26 0.00 0.00 57.72 53.55 1qbk n HIS 349 Cb 0.55 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 31.24 1qbk n HIS 349 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1qbk n ASP 350 N 0.60 0.00 -0.82 0.41 8.00 -1.26 -1.68 116.55 121.80 1qbk n ASP 350 Ca 0.25 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.78 1qbk n ASP 350 Cb 0.56 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.79 1qbk n ASP 350 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1qbk n GLU 351 N 12.62 2.10 -4.13 -1.24 0.00 -1.26 -5.14 120.64 123.59 1qbk n GLU 351 Ca 0.00 -1.02 -0.34 0.00 0.00 0.00 0.00 57.16 55.80 1qbk n GLU 351 Cb 0.00 -1.59 -0.14 0.00 0.00 0.00 0.00 31.44 29.71 1qbk n GLU 351 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1qbk s ASP 352 N -0.49 4.11 0.00 -1.84 1.01 -0.68 -5.22 116.67 113.57 1qbk s ASP 352 Ca 0.18 -0.40 0.00 0.00 0.71 0.00 0.00 52.55 53.04 1qbk s ASP 352 Cb 0.12 -1.68 0.00 0.00 1.01 0.00 0.00 42.92 42.37 1qbk s ASP 352 CO 0.07 0.03 0.00 0.47 0.21 0.00 0.00 175.17 175.95 1qbk n ASP 358 N 4.47 0.00 0.15 0.27 9.92 -1.26 -4.90 116.55 125.20 1qbk n ASP 358 Ca -0.18 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.08 1qbk n ASP 358 Cb 0.51 0.00 0.28 0.00 -0.64 0.00 0.00 41.12 41.27 1qbk n ASP 358 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1qbk h ASP 359 N 0.00 0.06 -0.44 -2.24 3.32 -2.04 0.49 116.42 115.57 1qbk h ASP 359 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1qbk h ASP 359 Cb 0.00 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1qbk h ASP 359 CO 0.00 0.50 0.00 0.47 -1.72 0.00 0.00 179.24 178.49 1qbk n ASP 360 N -4.01 4.12 0.00 6.45 9.92 -1.26 -3.56 116.55 128.21 1qbk n ASP 360 Ca -0.02 -2.54 0.00 0.00 -0.53 0.00 0.00 54.79 51.71 1qbk n ASP 360 Cb 0.47 -0.58 0.00 0.00 -0.64 0.00 0.00 41.12 40.38 1qbk n ASP 360 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1qbk n ASP 361 N 0.58 1.07 0.21 -2.24 8.00 -0.95 -4.85 116.55 118.37 1qbk n ASP 361 Ca 0.20 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.80 1qbk n ASP 361 Cb 0.84 0.01 0.14 0.00 -0.02 0.00 0.00 41.12 42.10 1qbk n ASP 361 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1qbk h ASP 362 N 0.00 0.00 0.25 -2.24 3.32 -0.19 -3.16 116.42 114.41 1qbk h ASP 362 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1qbk h ASP 362 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1qbk h ASP 362 CO 0.00 0.09 -0.10 -0.62 -1.72 0.00 0.00 179.24 176.89 1qbk n GLU 363 N -3.12 0.88 -0.15 3.56 1.02 -1.23 -3.16 120.64 118.44 1qbk n GLU 363 Ca 0.04 -0.35 0.05 0.00 -0.02 0.00 0.00 57.16 56.87 1qbk n GLU 363 Cb 0.57 -1.49 0.13 0.00 -0.02 0.00 0.00 31.44 30.63 1qbk n GLU 363 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1qbk n ILE 364 N -0.75 0.40 -3.19 -3.67 5.41 -1.19 -4.31 119.36 112.06 1qbk n ILE 364 Ca 0.16 -0.40 -0.21 0.00 1.00 0.00 0.00 62.75 63.30 1qbk n ILE 364 Cb 0.28 0.20 -0.05 0.00 -0.71 0.00 0.00 39.64 39.36 1qbk n ILE 364 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1qbk n ASP 365 N 0.38 0.88 -3.24 4.38 8.00 -1.19 -4.94 116.55 120.83 1qbk n ASP 365 Ca 0.10 -2.94 -0.37 0.00 0.71 0.00 0.00 54.79 52.29 1qbk n ASP 365 Cb 0.25 -0.63 0.01 0.00 -0.02 0.00 0.00 41.12 40.74 1qbk n ASP 365 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1qbk n ASP 366 N 0.70 6.72 0.00 -2.24 10.43 -1.26 -4.78 116.55 126.11 1qbk n ASP 366 Ca 0.24 -3.73 0.14 0.00 2.57 0.00 0.00 54.79 54.01 1qbk n ASP 366 Cb 0.59 -0.98 0.69 0.00 1.84 0.00 0.00 41.12 43.25 1qbk n ASP 366 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1qbk n ASP 367 N -0.25 0.00 0.00 -2.24 8.00 -1.26 -4.25 116.55 116.55 1qbk n ASP 367 Ca 0.45 0.16 0.00 0.00 0.71 0.00 0.00 54.79 56.12 1qbk n ASP 367 Cb 0.31 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 1qbk n ASP 367 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1qbk n ASP 368 N -1.39 0.00 -0.20 -2.24 -0.08 -1.26 -4.74 116.55 106.64 1qbk n ASP 368 Ca 0.11 0.00 0.17 0.00 -1.51 0.00 0.00 54.79 53.55 1qbk n ASP 368 Cb 0.29 -0.12 0.27 0.00 2.34 0.00 0.00 41.12 43.90 1qbk n ASP 368 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1qbk n THR 369 N -1.92 -0.08 0.08 5.18 -2.24 -1.26 0.75 114.28 114.79 1qbk n THR 369 Ca 0.00 0.67 0.01 0.00 -2.27 0.00 0.00 64.05 62.46 1qbk n THR 369 Cb 0.00 -1.10 0.04 0.00 -2.10 0.00 0.00 70.33 67.18 1qbk n THR 369 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1qbk n ILE 370 N -3.27 1.38 -0.03 2.28 -5.35 -1.26 -3.62 119.36 109.50 1qbk n ILE 370 Ca 0.16 0.35 -0.04 0.00 -0.27 0.00 0.00 62.75 62.95 1qbk n ILE 370 Cb 0.64 -1.31 -0.01 0.00 -1.74 0.00 0.00 39.64 37.22 1qbk n ILE 370 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1qbk n SER 371 N -1.37 0.88 -4.56 7.28 7.64 0.23 -4.86 113.62 118.86 1qbk n SER 371 Ca 0.01 0.14 -0.39 0.00 1.01 0.00 0.00 58.87 59.64 1qbk n SER 371 Cb 0.02 -0.54 -0.03 0.00 -1.01 0.00 0.00 64.21 62.64 1qbk n SER 371 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1qbk s ASP 372 N -5.02 6.07 -0.64 6.43 2.15 -1.24 -4.86 116.67 119.55 1qbk s ASP 372 Ca -0.12 -0.77 -0.00 0.00 0.43 0.00 0.00 52.55 52.09 1qbk s ASP 372 Cb 0.02 -2.56 0.43 0.00 -0.30 0.00 0.00 42.92 40.50 1qbk s ASP 372 CO 0.17 -1.88 1.86 -2.67 -0.17 0.00 0.00 175.17 172.48 1qbk n TRP 373 N 10.12 3.12 -0.17 -5.34 -0.00 -1.26 -4.80 117.44 119.12 1qbk n TRP 373 Ca 0.21 -2.75 0.00 0.00 -0.00 0.00 0.00 57.50 54.96 1qbk n TRP 373 Cb 0.50 -1.15 0.00 0.00 -0.00 0.00 0.00 31.31 30.66 1qbk n TRP 373 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 1qbk n ASN 374 N -0.77 -0.41 0.02 -0.67 0.23 -1.26 -4.91 115.26 107.49 1qbk n ASN 374 Ca 0.57 -0.17 -0.19 0.00 -0.53 0.00 0.00 54.58 54.26 1qbk n ASN 374 Cb 0.60 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.19 1qbk n ASN 374 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1qbk h LEU 375 N 0.00 0.71 -0.67 -4.53 3.38 -1.95 -3.30 115.31 108.94 1qbk h LEU 375 Ca 0.00 -0.76 0.14 0.00 0.09 0.00 0.00 57.88 57.35 1qbk h LEU 375 Cb 0.00 -0.22 -0.12 0.00 0.09 0.00 0.00 40.66 40.41 1qbk h LEU 375 CO 0.00 1.38 -0.08 -0.09 0.09 0.00 0.00 178.44 179.73 1qbk h ARG 376 N 0.11 0.05 -2.10 1.13 2.43 -1.93 0.49 114.38 114.56 1qbk h ARG 376 Ca -0.11 -0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 58.93 1qbk h ARG 376 Cb 1.51 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 31.00 1qbk h ARG 376 CO 0.16 0.03 -0.22 1.63 -1.51 0.00 0.00 179.97 180.06 1qbk n LYS 377 N -5.38 1.57 0.00 0.20 4.01 -1.24 -2.13 118.16 115.18 1qbk n LYS 377 Ca 0.10 -0.70 0.00 0.00 -0.51 0.00 0.00 58.31 57.20 1qbk n LYS 377 Cb 0.38 -1.76 0.00 0.00 -0.51 0.00 0.00 35.03 33.14 1qbk n LYS 377 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1qbk h SER 379 N 0.00 -0.41 0.50 0.00 4.64 -0.39 -0.67 113.55 117.22 1qbk h SER 379 Ca 0.00 0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.17 1qbk h SER 379 Cb 0.00 0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 1qbk h SER 379 CO 0.00 0.03 -0.70 0.00 -0.87 0.00 0.00 176.83 175.29 1qbk h ALA 380 N -1.13 0.75 0.00 5.18 0.00 -1.83 0.58 119.26 122.81 1qbk h ALA 380 Ca -0.05 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.23 1qbk h ALA 380 Cb 0.37 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1qbk h ALA 380 CO 0.08 0.81 -0.07 0.00 0.00 0.00 0.00 179.25 180.07 1qbk h ALA 381 N 1.15 1.20 0.00 0.00 0.00 -1.74 -1.22 119.26 118.65 1qbk h ALA 381 Ca -0.02 -0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.61 1qbk h ALA 381 Cb 1.25 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 1qbk h ALA 381 CO 0.10 0.09 -2.14 0.00 0.00 0.00 0.00 179.25 177.31 1qbk n ALA 382 N -2.22 1.97 0.42 0.00 0.00 -0.26 -3.91 120.51 116.53 1qbk n ALA 382 Ca -0.02 -0.95 0.03 0.00 0.00 0.00 0.00 53.44 52.50 1qbk n ALA 382 Cb 0.21 -0.34 0.20 0.00 0.00 0.00 0.00 19.45 19.53 1qbk n ALA 382 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1qbk n LEU 383 N -2.51 0.00 -3.18 0.00 0.00 0.19 -3.58 117.00 107.92 1qbk n LEU 383 Ca -0.21 0.03 -0.36 0.00 0.00 0.00 0.00 56.01 55.47 1qbk n LEU 383 Cb 0.89 -0.03 -0.04 0.00 0.00 0.00 0.00 43.42 44.24 1qbk n LEU 383 CO 0.40 -0.02 3.19 0.47 0.00 0.00 0.00 177.39 181.43 1qbk n ASP 384 N -1.03 8.39 0.00 1.96 8.00 -0.82 -2.65 116.55 130.40 1qbk n ASP 384 Ca 0.05 -2.59 0.00 0.00 0.71 0.00 0.00 54.79 52.97 1qbk n ASP 384 Cb 0.03 -1.54 0.00 0.00 -0.02 0.00 0.00 41.12 39.59 1qbk n ASP 384 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1qbk n VAL 385 N 3.39 0.00 -0.57 2.53 3.14 -1.24 -4.79 118.33 120.80 1qbk n VAL 385 Ca 0.75 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 62.09 1qbk n VAL 385 Cb 0.30 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.02 1qbk n VAL 385 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1qbk n LEU 386 N -0.55 4.20 0.00 6.55 4.77 -1.08 0.15 117.00 131.03 1qbk n LEU 386 Ca 0.00 -2.21 0.00 0.00 -0.03 0.00 0.00 56.01 53.77 1qbk n LEU 386 Cb 0.00 -0.99 0.00 0.00 -2.33 0.00 0.00 43.42 40.10 1qbk n LEU 386 CO 0.00 0.99 0.00 0.00 -1.33 0.00 0.00 177.39 177.05 1qbk n ALA 387 N 2.03 0.00 0.00 -1.18 0.00 0.15 -4.63 120.51 116.88 1qbk n ALA 387 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1qbk n ALA 387 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1qbk n ALA 387 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1qbk n ASN 388 N 0.00 3.44 -0.11 0.00 5.15 0.64 -4.73 115.26 119.65 1qbk n ASN 388 Ca 0.00 0.00 -0.20 0.00 -0.60 0.00 0.00 54.58 53.78 1qbk n ASN 388 Cb 0.00 0.22 -0.09 0.00 -0.53 0.00 0.00 39.78 39.38 1qbk n ASN 388 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 1qbk n VAL 389 N -1.88 1.28 -4.30 3.44 3.14 0.39 -5.03 118.33 115.36 1qbk n VAL 389 Ca 0.00 -0.42 -0.18 0.00 -2.96 0.00 0.00 64.34 60.79 1qbk n VAL 389 Cb 0.38 -1.52 -0.06 0.00 -1.06 0.00 0.00 33.84 31.57 1qbk n VAL 389 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1qbk n TYR 390 N -3.55 -0.33 -3.65 1.45 9.36 -1.12 -5.06 117.16 114.27 1qbk n TYR 390 Ca -0.42 -2.20 -0.12 0.00 3.32 0.00 0.00 57.90 58.48 1qbk n TYR 390 Cb 0.88 0.13 -0.06 0.00 -0.63 0.00 0.00 39.34 39.66 1qbk n TYR 390 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1qbk s ARG 391 N -3.16 0.95 -0.00 2.98 0.52 -1.26 -0.68 118.95 118.30 1qbk s ARG 391 Ca 0.26 -0.42 0.00 0.00 -0.52 0.00 0.00 55.73 55.05 1qbk s ARG 391 Cb 0.01 0.42 0.00 0.00 0.52 0.00 0.00 34.95 35.91 1qbk s ARG 391 CO 0.18 -0.34 0.00 -0.25 0.02 0.00 0.00 175.30 174.91 1qbk n ASP 392 N 0.37 -0.06 0.06 0.23 9.92 -1.26 -4.59 116.55 121.22 1qbk n ASP 392 Ca -0.18 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.00 1qbk n ASP 392 Cb 0.61 -0.53 0.05 0.00 -0.64 0.00 0.00 41.12 40.60 1qbk n ASP 392 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1qbk h GLU 393 N 0.00 0.34 0.00 -1.24 4.11 -1.92 -3.20 114.58 112.67 1qbk h GLU 393 Ca -0.00 -0.28 -0.09 0.00 0.07 0.00 0.00 59.36 59.06 1qbk h GLU 393 Cb 0.01 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1qbk h GLU 393 CO 0.00 0.92 -0.64 -0.07 0.07 0.00 0.00 179.01 179.29 1qbk h LEU 394 N 0.23 0.00 -0.78 3.06 3.38 -1.93 -3.38 115.31 115.90 1qbk h LEU 394 Ca -0.03 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.04 1qbk h LEU 394 Cb 1.28 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.91 1qbk h LEU 394 CO 0.12 0.39 -0.37 0.18 0.09 0.00 0.00 178.44 178.85 1qbk n LEU 395 N -3.09 -0.64 -4.74 1.67 4.77 -1.21 -3.63 117.00 110.13 1qbk n LEU 395 Ca -0.00 1.37 -0.41 0.00 -0.03 0.00 0.00 56.01 56.94 1qbk n LEU 395 Cb 0.71 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.51 1qbk n LEU 395 CO 0.40 -1.18 1.04 -2.16 -1.33 0.00 0.00 177.39 174.16 1qbk s PRO 396 N -5.59 4.33 0.00 3.23 0.04 -1.26 -2.95 135.00 132.79 1qbk s PRO 396 Ca -0.10 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.13 1qbk s PRO 396 Cb 0.13 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.53 1qbk s PRO 396 CO 0.53 -0.33 0.00 -2.39 0.04 0.00 0.00 177.00 174.85 1qbk n HIS 397 N 2.35 0.00 0.19 0.56 1.44 -1.26 -4.81 115.22 113.69 1qbk n HIS 397 Ca 0.06 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.84 1qbk n HIS 397 Cb 0.41 0.00 0.31 0.00 0.12 0.00 0.00 29.99 30.83 1qbk n HIS 397 CO 0.00 0.00 0.00 0.82 -2.81 0.00 0.00 176.34 174.35 1qbk h ILE 398 N 0.00 0.72 0.24 0.61 2.04 -1.60 -3.33 117.51 116.19 1qbk h ILE 398 Ca 0.00 -1.51 0.00 0.00 1.00 0.00 0.00 64.86 64.35 1qbk h ILE 398 Cb 0.00 1.98 -0.03 0.00 -0.74 0.00 0.00 36.82 38.03 1qbk h ILE 398 CO 0.00 0.33 -0.44 0.25 0.00 0.00 0.00 178.15 178.29 1qbk h LEU 399 N 0.00 -1.28 -1.33 1.44 5.85 -1.88 -0.12 115.31 117.99 1qbk h LEU 399 Ca -0.00 0.12 0.23 0.00 0.84 0.00 0.00 57.88 59.07 1qbk h LEU 399 Cb 0.95 0.45 -0.09 0.00 0.37 0.00 0.00 40.66 42.35 1qbk h LEU 399 CO 0.04 -0.51 0.63 1.55 -0.34 0.00 0.00 178.44 179.81 1qbk h PRO 400 N -0.73 0.47 0.61 5.25 0.13 -1.95 2.59 132.00 138.37 1qbk h PRO 400 Ca -0.03 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 65.05 1qbk h PRO 400 Cb 0.68 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 31.71 1qbk h PRO 400 CO -0.17 0.31 -0.36 -0.07 -0.23 0.00 0.00 178.00 177.48 1qbk h LEU 401 N 0.49 -0.91 0.00 1.56 3.38 -1.53 -2.40 115.31 115.89 1qbk h LEU 401 Ca 0.55 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.57 1qbk h LEU 401 Cb 1.25 0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.26 1qbk h LEU 401 CO -0.28 -0.56 0.00 -0.11 0.09 0.00 0.00 178.44 177.58 1qbk n LEU 402 N -4.67 0.00 -0.03 1.67 7.94 0.52 -1.44 117.00 120.99 1qbk n LEU 402 Ca -0.11 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.57 1qbk n LEU 402 Cb 0.37 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.19 1qbk n LEU 402 CO 0.26 0.00 -0.79 1.17 -1.11 0.00 0.00 177.39 176.92 1qbk n LYS 403 N -0.82 0.71 -0.07 1.96 3.00 0.84 -3.66 118.16 120.12 1qbk n LYS 403 Ca 0.12 0.32 -0.14 0.00 -0.00 0.00 0.00 58.31 58.62 1qbk n LYS 403 Cb 0.06 -1.70 -0.11 0.00 0.00 0.00 0.00 35.03 33.27 1qbk n LYS 403 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1qbk h GLU 404 N -0.17 0.00 -0.79 1.64 4.81 -1.42 -3.32 114.58 115.33 1qbk h GLU 404 Ca -0.42 0.00 0.27 0.00 -0.13 0.00 0.00 59.36 59.07 1qbk h GLU 404 Cb 1.87 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 31.11 1qbk h GLU 404 CO 0.01 0.89 0.19 1.28 -0.73 0.00 0.00 179.01 180.65 1qbk n LEU 405 N -4.60 0.07 -1.02 1.64 4.77 -0.52 0.06 117.00 117.40 1qbk n LEU 405 Ca -0.12 1.33 0.00 0.00 -0.03 0.00 0.00 56.01 57.19 1qbk n LEU 405 Cb 0.46 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1qbk n LEU 405 CO 0.28 -1.41 0.25 0.18 -1.33 0.00 0.00 177.39 175.37 1qbk n LEU 406 N -4.97 1.50 0.00 2.23 4.77 -1.24 -3.21 117.00 116.08 1qbk n LEU 406 Ca 0.23 -0.75 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 1qbk n LEU 406 Cb 0.78 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1qbk n LEU 406 CO -0.03 0.25 0.00 0.33 -1.33 0.00 0.00 177.39 176.61 1qbk n PHE 407 N 0.78 0.00 -1.74 -1.77 7.35 0.45 -5.04 117.46 117.49 1qbk n PHE 407 Ca 0.00 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.27 1qbk n PHE 407 Cb 0.25 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.05 1qbk n PHE 407 CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 1qbk s HIS 408 N 0.00 2.71 0.00 -5.13 5.65 0.11 -4.74 115.29 113.89 1qbk s HIS 408 Ca 0.00 0.27 0.00 0.00 0.25 0.00 0.00 55.06 55.58 1qbk s HIS 408 Cb 0.00 -4.13 0.00 0.00 -1.18 0.00 0.00 32.58 27.27 1qbk s HIS 408 CO 0.00 -4.39 0.00 1.58 -0.65 0.00 0.00 174.74 171.28 1qbk n HIS 409 N 4.45 -0.49 -0.95 3.88 -0.00 -1.26 -4.17 115.22 116.68 1qbk n HIS 409 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.88 1qbk n HIS 409 Cb 0.36 0.14 0.00 0.00 -0.00 0.00 0.00 29.99 30.49 1qbk n HIS 409 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1qbk n GLU 410 N 0.00 2.86 0.30 1.57 1.02 -1.26 -4.90 120.64 120.22 1qbk n GLU 410 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1qbk n GLU 410 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.35 1qbk n GLU 410 CO 0.00 0.00 0.00 0.11 1.18 0.00 0.00 177.13 178.42 1qbk h TRP 411 N 0.00 -0.91 -0.15 -0.32 0.09 -1.97 -3.14 115.95 109.55 1qbk h TRP 411 Ca 0.00 -0.01 0.05 0.00 0.09 0.00 0.00 58.89 59.02 1qbk h TRP 411 Cb 0.00 0.32 -0.03 0.00 0.08 0.00 0.00 29.16 29.54 1qbk h TRP 411 CO 0.00 -0.50 0.04 0.28 0.09 0.00 0.00 178.44 178.34 1qbk n VAL 412 N -4.50 -0.06 -0.09 0.12 0.31 -1.26 0.87 118.33 113.72 1qbk n VAL 412 Ca -0.10 0.32 -0.17 0.00 -0.01 0.00 0.00 64.34 64.38 1qbk n VAL 412 Cb 0.35 -0.49 -0.10 0.00 -0.91 0.00 0.00 33.84 32.68 1qbk n VAL 412 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 1qbk h VAL 413 N 0.00 1.04 -0.81 2.52 -1.51 -1.84 -2.97 116.25 112.69 1qbk h VAL 413 Ca 0.11 -2.07 0.19 0.00 -1.23 0.00 0.00 66.70 63.70 1qbk h VAL 413 Cb 0.26 2.25 -0.12 0.00 -2.13 0.00 0.00 31.29 31.55 1qbk h VAL 413 CO -0.13 0.35 0.23 0.50 -1.23 0.00 0.00 177.57 177.29 1qbk h LYS 414 N -1.00 0.27 -0.09 5.19 3.64 0.53 0.37 116.57 125.48 1qbk h LYS 414 Ca -0.20 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.18 1qbk h LYS 414 Cb 1.08 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 1qbk h LYS 414 CO -0.12 0.18 -0.02 1.49 -2.27 0.00 0.00 179.45 178.71 1qbk h GLU 415 N 0.28 0.01 -0.19 1.90 4.22 -1.01 0.17 114.58 119.96 1qbk h GLU 415 Ca 0.48 -0.00 0.06 0.00 0.08 0.00 0.00 59.36 59.97 1qbk h GLU 415 Cb 0.88 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1qbk h GLU 415 CO -0.55 0.01 0.26 0.66 -2.18 0.00 0.00 179.01 177.20 1qbk h SER 416 N 0.01 0.00 0.00 1.04 4.64 -0.17 0.23 113.55 119.30 1qbk h SER 416 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1qbk h SER 416 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1qbk h SER 416 CO -0.09 0.00 -0.03 1.23 -0.87 0.00 0.00 176.83 177.08 1qbk h GLY 417 N 0.00 0.00 0.56 -0.77 0.00 0.43 -2.71 103.07 100.58 1qbk h GLY 417 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.55 1qbk h GLY 417 CO -0.00 0.00 0.60 -2.22 0.00 0.00 0.00 176.54 174.92 1qbk h ILE 418 N -0.86 0.21 0.01 2.60 2.04 -0.44 -1.27 117.51 119.80 1qbk h ILE 418 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1qbk h ILE 418 Cb 0.03 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1qbk h ILE 418 CO 0.00 0.00 -0.00 0.25 0.00 0.00 0.00 178.15 178.40 1qbk h LEU 419 N 0.00 -0.01 -0.88 1.44 6.46 -0.64 -3.29 115.31 118.39 1qbk h LEU 419 Ca 0.20 0.00 0.22 0.00 -0.12 0.00 0.00 57.88 58.18 1qbk h LEU 419 Cb 1.40 0.00 -0.17 0.00 -0.73 0.00 0.00 40.66 41.17 1qbk h LEU 419 CO -0.00 0.01 -0.07 1.33 -0.62 0.00 0.00 178.44 179.09 1qbk n VAL 420 N -2.11 -0.37 -0.02 1.05 0.24 -0.66 0.19 118.33 116.64 1qbk n VAL 420 Ca -0.00 1.97 -0.01 0.00 -2.04 0.00 0.00 64.34 64.26 1qbk n VAL 420 Cb 0.00 -2.82 -0.01 0.00 -1.47 0.00 0.00 33.84 29.54 1qbk n VAL 420 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1qbk h LEU 421 N 0.00 -0.15 -2.09 1.34 5.85 -1.41 0.46 115.31 119.31 1qbk h LEU 421 Ca 0.50 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 59.22 1qbk h LEU 421 Cb 0.94 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 1qbk h LEU 421 CO -0.86 -0.02 -0.08 1.23 -0.34 0.00 0.00 178.44 178.37 1qbk h GLY 422 N -0.02 0.00 2.00 3.75 0.00 -1.04 -1.67 103.07 106.10 1qbk h GLY 422 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1qbk h GLY 422 CO -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.47 1qbk h ALA 423 N 1.92 1.25 0.00 3.60 0.00 0.41 -3.26 119.26 123.19 1qbk h ALA 423 Ca -0.00 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.65 1qbk h ALA 423 Cb 0.19 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1qbk h ALA 423 CO 0.01 0.02 -1.90 0.44 0.00 0.00 0.00 179.25 177.82 1qbk n ILE 424 N -3.48 0.91 -0.50 0.00 -5.35 -0.03 -4.73 119.36 106.17 1qbk n ILE 424 Ca -0.03 -0.49 0.39 0.00 -0.27 0.00 0.00 62.75 62.35 1qbk n ILE 424 Cb 0.11 -0.78 0.60 0.00 -1.74 0.00 0.00 39.64 37.83 1qbk n ILE 424 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1qbk n ALA 425 N -2.63 1.39 -1.77 -1.28 0.00 -1.12 -2.35 120.51 112.74 1qbk n ALA 425 Ca -0.24 0.48 -0.37 0.00 0.00 0.00 0.00 53.44 53.31 1qbk n ALA 425 Cb 0.89 -0.83 -0.02 0.00 0.00 0.00 0.00 19.45 19.49 1qbk n ALA 425 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1qbk n GLU 426 N -3.39 4.04 0.00 0.00 2.13 -1.26 -3.94 120.64 118.21 1qbk n GLU 426 Ca 0.32 -3.01 0.00 0.00 0.66 0.00 0.00 57.16 55.14 1qbk n GLU 426 Cb 1.52 -2.56 0.00 0.00 0.27 0.00 0.00 31.44 30.67 1qbk n GLU 426 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1qbk n GLY 427 N 1.90 0.82 2.98 8.31 0.00 -1.06 -4.87 105.19 113.26 1qbk n GLY 427 Ca 0.62 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 46.30 1qbk n GLY 427 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qbk n GLN 430 N 2.54 0.00 0.00 0.00 3.00 -1.26 -4.64 117.38 117.02 1qbk n GLN 430 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 1qbk n GLN 430 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.59 1qbk n GLN 430 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1qbk n GLY 431 N 0.00 0.00 4.70 1.08 0.00 -1.26 -3.77 105.19 105.93 1qbk n GLY 431 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1qbk n GLY 431 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1qbk n ILE 433 N 0.85 0.00 -0.19 -0.61 5.41 -1.26 -4.66 119.36 118.90 1qbk n ILE 433 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.74 1qbk n ILE 433 Cb 0.00 0.00 0.10 0.00 -0.71 0.00 0.00 39.64 39.03 1qbk n ILE 433 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1qbk h PRO 434 N 0.00 0.31 0.00 0.38 0.11 -1.99 -1.85 132.00 128.96 1qbk h PRO 434 Ca 0.00 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.98 1qbk h PRO 434 Cb 0.00 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 1qbk h PRO 434 CO 0.00 0.21 -0.68 1.88 -0.21 0.00 0.00 178.00 179.19 1qbk h TYR 435 N 0.32 0.00 -1.31 0.65 -1.99 -1.94 -3.35 116.97 109.36 1qbk h TYR 435 Ca 0.29 0.00 0.46 0.00 2.00 0.00 0.00 58.73 61.48 1qbk h TYR 435 Cb 0.39 0.00 -0.14 0.00 2.00 0.00 0.00 36.73 38.98 1qbk h TYR 435 CO -0.20 0.51 0.83 -0.11 -0.00 0.00 0.00 178.16 179.19 1qbk n LEU 436 N -3.15 0.22 0.00 3.88 7.94 -0.70 0.49 117.00 125.67 1qbk n LEU 436 Ca -0.00 1.37 0.10 0.00 -1.11 0.00 0.00 56.01 56.37 1qbk n LEU 436 Cb 0.75 -0.67 0.57 0.00 0.53 0.00 0.00 43.42 44.60 1qbk n LEU 436 CO 0.41 -1.49 0.80 -0.81 -1.11 0.00 0.00 177.39 175.19 1qbk n PRO 437 N -4.70 0.52 -0.02 1.96 -0.04 -1.24 -3.14 135.00 128.34 1qbk n PRO 437 Ca 0.39 0.03 -0.03 0.00 -0.04 0.00 0.00 63.50 63.85 1qbk n PRO 437 Cb 1.50 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 1qbk n PRO 437 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1qbk n GLU 438 N -1.09 0.24 0.25 0.54 -0.58 0.18 -4.75 120.64 115.42 1qbk n GLU 438 Ca 0.13 0.03 -0.10 0.00 -0.42 0.00 0.00 57.16 56.80 1qbk n GLU 438 Cb 0.10 -1.10 -0.05 0.00 -0.57 0.00 0.00 31.44 29.82 1qbk n GLU 438 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1qbk h LEU 439 N 0.00 -0.55 -0.71 -4.62 3.38 -1.54 -3.33 115.31 107.94 1qbk h LEU 439 Ca -0.11 0.02 0.10 0.00 0.09 0.00 0.00 57.88 57.98 1qbk h LEU 439 Cb 1.17 0.15 -0.11 0.00 0.09 0.00 0.00 40.66 41.96 1qbk h LEU 439 CO -0.02 -0.39 -0.30 -0.38 0.09 0.00 0.00 178.44 177.44 1qbk n ILE 440 N -3.74 -0.39 0.22 1.22 5.41 -1.19 0.14 119.36 121.03 1qbk n ILE 440 Ca -0.08 1.67 0.11 0.00 1.00 0.00 0.00 62.75 65.45 1qbk n ILE 440 Cb 0.25 -2.17 0.53 0.00 -0.71 0.00 0.00 39.64 37.53 1qbk n ILE 440 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1qbk n PRO 441 N -5.01 0.14 -0.07 0.38 -0.04 -1.25 -2.02 135.00 127.14 1qbk n PRO 441 Ca 0.06 0.57 -0.07 0.00 -0.04 0.00 0.00 63.50 64.02 1qbk n PRO 441 Cb 0.26 -1.91 -0.04 0.00 -0.04 0.00 0.00 33.50 31.78 1qbk n PRO 441 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1qbk h HIS 442 N 0.00 0.00 -0.86 0.54 -0.00 0.12 -3.35 115.15 111.60 1qbk h HIS 442 Ca 0.00 0.00 0.22 0.00 -0.00 0.00 0.00 60.37 60.59 1qbk h HIS 442 Cb 0.10 0.00 -0.14 0.00 -0.00 0.00 0.00 27.41 27.37 1qbk h HIS 442 CO 0.00 0.37 0.14 -0.07 -0.00 0.00 0.00 177.93 178.38 1qbk h LEU 443 N -1.00 -0.16 -0.60 0.26 3.38 -1.15 2.47 115.31 118.51 1qbk h LEU 443 Ca -0.05 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1qbk h LEU 443 Cb 0.52 0.32 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1qbk h LEU 443 CO -0.03 -0.19 0.31 -0.38 0.09 0.00 0.00 178.44 178.24 1qbk n ILE 444 N -5.29 0.68 -0.08 1.22 5.41 -0.85 0.66 119.36 121.10 1qbk n ILE 444 Ca 0.19 0.69 -0.21 0.00 1.00 0.00 0.00 62.75 64.42 1qbk n ILE 444 Cb 0.63 -1.69 -0.12 0.00 -0.71 0.00 0.00 39.64 37.76 1qbk n ILE 444 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1qbk h GLN 445 N 0.00 0.05 -0.82 0.38 1.08 0.41 -3.38 115.11 112.83 1qbk h GLN 445 Ca 0.00 -0.08 0.16 0.00 -1.45 0.00 0.00 58.65 57.28 1qbk h GLN 445 Cb 0.63 0.03 -0.16 0.00 -0.05 0.00 0.00 27.48 27.93 1qbk h GLN 445 CO 0.00 1.04 -0.22 0.00 -0.95 0.00 0.00 178.83 178.70 1qbk h LEU 447 N -0.01 0.28 -0.60 0.00 3.38 -1.64 0.33 115.31 117.05 1qbk h LEU 447 Ca 0.39 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.47 1qbk h LEU 447 Cb 0.60 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1qbk h LEU 447 CO -0.85 -0.09 0.00 -1.20 0.09 0.00 0.00 178.44 176.39 1qbk n SER 448 N -4.62 0.89 -0.50 -0.43 7.64 0.26 -4.89 113.62 111.97 1qbk n SER 448 Ca 0.33 -1.64 0.00 0.00 1.01 0.00 0.00 58.87 58.57 1qbk n SER 448 Cb 1.28 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 64.41 1qbk n SER 448 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1qbk n ASP 449 N -0.17 0.00 -0.18 6.43 2.03 0.12 -5.00 116.55 119.78 1qbk n ASP 449 Ca 0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.45 1qbk n ASP 449 Cb 0.20 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.60 1qbk n ASP 449 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1qbk n LYS 450 N 0.00 0.00 -1.06 -0.67 0.00 -1.26 -4.92 118.16 110.25 1qbk n LYS 450 Ca 0.00 -0.44 -0.19 0.00 -0.00 0.00 0.00 58.31 57.69 1qbk n LYS 450 Cb 0.00 -0.32 -0.01 0.00 -0.00 0.00 0.00 35.03 34.70 1qbk n LYS 450 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1qbk n LYS 451 N 0.00 1.95 0.00 -1.58 2.85 -1.26 -4.89 118.16 115.23 1qbk n LYS 451 Ca 0.00 -1.68 0.00 0.00 -1.05 0.00 0.00 58.31 55.58 1qbk n LYS 451 Cb 0.55 -1.77 0.00 0.00 -0.65 0.00 0.00 35.03 33.16 1qbk n LYS 451 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1qbk n ALA 452 N 0.72 0.00 1.43 0.58 0.00 -1.26 0.48 120.51 122.46 1qbk n ALA 452 Ca 0.35 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.89 1qbk n ALA 452 Cb 0.59 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.61 1qbk n ALA 452 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1qbk n LEU 453 N -1.36 0.00 -0.12 0.00 7.94 -1.26 -2.71 117.00 119.50 1qbk n LEU 453 Ca 0.00 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.75 1qbk n LEU 453 Cb 0.00 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 43.82 1qbk n LEU 453 CO 0.00 0.00 -1.26 0.52 -1.11 0.00 0.00 177.39 175.54 1qbk n VAL 454 N -0.92 1.40 -0.32 1.96 0.31 1.74 -4.18 118.33 118.32 1qbk n VAL 454 Ca 0.14 -0.63 0.01 0.00 -0.01 0.00 0.00 64.34 63.86 1qbk n VAL 454 Cb 0.07 -1.11 0.15 0.00 -0.91 0.00 0.00 33.84 32.04 1qbk n VAL 454 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1qbk h ARG 455 N 0.00 0.96 -0.47 5.55 3.08 -1.30 0.69 114.38 122.89 1qbk h ARG 455 Ca -0.55 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 59.50 1qbk h ARG 455 Cb 1.96 -0.22 -0.08 0.00 0.08 0.00 0.00 29.97 31.72 1qbk h ARG 455 CO -0.05 0.64 -0.50 0.77 -1.07 0.00 0.00 179.97 179.76 1qbk h SER 456 N 0.99 -1.70 1.14 7.04 0.02 -1.70 0.49 113.55 119.83 1qbk h SER 456 Ca 0.39 0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 61.52 1qbk h SER 456 Cb 0.18 0.71 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 1qbk h SER 456 CO -0.18 -0.32 -0.23 0.16 -1.14 0.00 0.00 176.83 175.12 1qbk h ILE 457 N -0.28 0.50 -0.42 3.27 -0.00 -1.63 -1.49 117.51 117.47 1qbk h ILE 457 Ca 0.08 -1.23 0.01 0.00 -0.00 0.00 0.00 64.86 63.71 1qbk h ILE 457 Cb 0.49 1.87 -0.02 0.00 -0.00 0.00 0.00 36.82 39.16 1qbk h ILE 457 CO -0.59 0.22 0.27 0.74 -0.00 0.00 0.00 178.15 178.80 1qbk h THR 458 N 0.00 1.10 0.48 0.16 2.02 0.14 0.42 112.91 117.22 1qbk h THR 458 Ca -0.00 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 1qbk h THR 458 Cb 0.86 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1qbk h THR 458 CO 0.03 0.10 -0.26 0.00 0.37 0.00 0.00 175.52 175.77 1qbk h TRP 460 N -0.67 0.00 0.00 0.00 7.01 -1.20 -2.10 115.95 118.98 1qbk h TRP 460 Ca -0.06 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.91 1qbk h TRP 460 Cb 0.53 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.58 1qbk h TRP 460 CO 0.06 0.00 -0.16 1.15 -2.79 0.00 0.00 178.44 176.70 1qbk h THR 461 N 0.00 1.67 -0.23 2.65 2.02 0.12 -0.77 112.91 118.37 1qbk h THR 461 Ca 0.25 -2.31 0.03 0.00 0.77 0.00 0.00 66.41 65.14 1qbk h THR 461 Cb 1.15 3.21 -0.05 0.00 -1.74 0.00 0.00 68.15 70.72 1qbk h THR 461 CO -0.00 0.56 -0.34 -0.07 0.37 0.00 0.00 175.52 176.04 1qbk h LEU 462 N -1.00 -1.13 -1.39 2.58 3.38 -0.30 0.48 115.31 117.93 1qbk h LEU 462 Ca -0.05 0.15 0.13 0.00 0.09 0.00 0.00 57.88 58.20 1qbk h LEU 462 Cb 1.03 0.46 -0.06 0.00 0.09 0.00 0.00 40.66 42.18 1qbk h LEU 462 CO -0.03 -0.25 0.54 0.77 0.09 0.00 0.00 178.44 179.56 1qbk h SER 463 N -0.26 0.58 -1.65 -0.43 4.64 -1.54 -0.95 113.55 113.94 1qbk h SER 463 Ca 0.04 0.03 0.49 0.00 -0.47 0.00 0.00 61.79 61.88 1qbk h SER 463 Cb 0.37 -0.09 -0.09 0.00 -0.31 0.00 0.00 62.40 62.29 1qbk h SER 463 CO -0.35 0.31 1.16 -0.09 -0.87 0.00 0.00 176.83 176.99 1qbk h ARG 464 N 0.62 0.02 -0.76 4.77 9.65 0.15 -1.88 114.38 126.95 1qbk h ARG 464 Ca 0.40 -0.00 -0.33 0.00 -1.10 0.00 0.00 59.98 58.96 1qbk h ARG 464 Cb 0.68 -0.01 -0.28 0.00 -1.39 0.00 0.00 29.97 28.98 1qbk h ARG 464 CO -0.16 0.02 -0.81 2.48 2.80 0.00 0.00 179.97 184.29 1qbk n TYR 465 N -4.18 -0.92 0.17 2.20 0.18 -0.42 -4.85 117.16 109.33 1qbk n TYR 465 Ca 0.39 -2.67 0.09 0.00 1.88 0.00 0.00 57.90 57.59 1qbk n TYR 465 Cb 1.71 0.57 0.09 0.00 -0.38 0.00 0.00 39.34 41.33 1qbk n TYR 465 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1qbk h ALA 466 N 2.74 0.80 -0.99 -3.48 0.00 -0.68 -3.31 119.26 114.34 1qbk h ALA 466 Ca -0.10 -0.15 0.33 0.00 0.00 0.00 0.00 54.91 55.00 1qbk h ALA 466 Cb 1.14 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.75 1qbk h ALA 466 CO 0.27 0.19 0.24 1.58 0.00 0.00 0.00 179.25 181.53 1qbk n HIS 467 N -3.02 0.86 0.24 0.00 -0.00 -1.26 0.50 115.22 112.54 1qbk n HIS 467 Ca 0.02 1.19 -0.10 0.00 -0.00 0.00 0.00 57.72 58.83 1qbk n HIS 467 Cb 0.60 -1.38 -0.05 0.00 -0.00 0.00 0.00 29.99 29.16 1qbk n HIS 467 CO 0.00 0.00 0.00 2.35 -0.00 0.00 0.00 176.34 178.69 1qbk h TRP 468 N 0.00 -0.58 -1.87 1.57 7.01 -1.90 -1.23 115.95 118.95 1qbk h TRP 468 Ca 0.71 -0.01 0.54 0.00 2.11 0.00 0.00 58.89 62.23 1qbk h TRP 468 Cb 1.66 0.19 -0.07 0.00 -2.10 0.00 0.00 29.16 28.84 1qbk h TRP 468 CO -0.29 -0.36 1.35 0.28 -2.79 0.00 0.00 178.44 176.62 1qbk n VAL 469 N -3.96 0.00 -0.07 2.65 0.31 0.18 0.18 118.33 117.62 1qbk n VAL 469 Ca -0.08 1.41 -0.17 0.00 -0.01 0.00 0.00 64.34 65.49 1qbk n VAL 469 Cb 0.25 -2.35 -0.13 0.00 -0.91 0.00 0.00 33.84 30.70 1qbk n VAL 469 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1qbk h VAL 470 N 0.00 1.50 0.00 2.52 2.07 -1.01 -3.36 116.25 117.97 1qbk h VAL 470 Ca 0.89 -2.32 -0.44 0.00 0.82 0.00 0.00 66.70 65.65 1qbk h VAL 470 Cb 3.58 3.03 0.01 0.00 -1.52 0.00 0.00 31.29 36.40 1qbk h VAL 470 CO -0.01 0.54 2.73 -1.20 0.02 0.00 0.00 177.57 179.66 1qbk n SER 471 N -4.49 5.94 -1.87 0.57 7.64 0.47 -4.68 113.62 117.19 1qbk n SER 471 Ca -0.17 -2.38 -0.05 0.00 1.01 0.00 0.00 58.87 57.28 1qbk n SER 471 Cb 0.58 -1.22 0.01 0.00 -1.01 0.00 0.00 64.21 62.57 1qbk n SER 471 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qbk n GLN 472 N 3.89 0.52 -1.66 1.43 1.13 -1.19 -4.89 117.38 116.62 1qbk n GLN 472 Ca 0.53 -1.11 -0.31 0.00 -1.94 0.00 0.00 57.00 54.17 1qbk n GLN 472 Cb 0.20 1.34 0.04 0.00 0.11 0.00 0.00 30.24 31.93 1qbk n GLN 472 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 1qbk s PRO 473 N -2.08 3.08 0.00 -1.09 0.02 -1.26 -5.03 135.00 128.63 1qbk s PRO 473 Ca 0.08 0.87 0.00 0.00 0.02 0.00 0.00 61.00 61.97 1qbk s PRO 473 Cb -0.02 -2.01 0.00 0.00 0.02 0.00 0.00 34.50 32.49 1qbk s PRO 473 CO 0.06 -0.98 0.00 -0.35 -0.33 0.00 0.00 177.00 175.41 1qbk n PRO 474 N -3.04 0.00 -0.19 5.54 -0.04 -1.26 -4.05 135.00 131.95 1qbk n PRO 474 Ca 0.07 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.68 1qbk n PRO 474 Cb 0.54 0.00 0.24 0.00 -0.04 0.00 0.00 33.50 34.23 1qbk n PRO 474 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1qbk n ASP 475 N 0.00 0.00 -0.21 3.54 9.92 -1.26 -0.70 116.55 127.84 1qbk n ASP 475 Ca 0.00 0.30 0.01 0.00 -0.53 0.00 0.00 54.79 54.57 1qbk n ASP 475 Cb 0.00 -0.14 0.10 0.00 -0.64 0.00 0.00 41.12 40.44 1qbk n ASP 475 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1qbk h THR 476 N 0.00 0.48 0.00 -3.53 2.02 -1.99 -3.42 112.91 106.47 1qbk h THR 476 Ca 0.27 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.41 1qbk h THR 476 Cb 1.15 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1qbk h THR 476 CO -0.00 0.02 0.00 0.00 0.37 0.00 0.00 175.52 175.91 1qbk n TYR 477 N -5.29 0.00 1.20 3.16 0.18 0.12 -4.89 117.16 111.65 1qbk n TYR 477 Ca 0.09 0.00 0.14 0.00 1.88 0.00 0.00 57.90 60.01 1qbk n TYR 477 Cb 0.36 0.00 0.65 0.00 -0.38 0.00 0.00 39.34 39.97 1qbk n TYR 477 CO 0.00 0.00 0.00 -0.11 -2.08 0.00 0.00 176.86 174.67 1qbk n LEU 478 N 0.00 0.08 -0.09 -3.48 7.94 -1.03 -1.75 117.00 118.67 1qbk n LEU 478 Ca 0.00 0.34 -0.23 0.00 -1.11 0.00 0.00 56.01 55.01 1qbk n LEU 478 Cb 0.00 -0.37 -0.12 0.00 0.53 0.00 0.00 43.42 43.46 1qbk n LEU 478 CO 0.00 0.02 -1.05 1.17 -1.11 0.00 0.00 177.39 176.42 1qbk n LYS 479 N -1.37 0.65 0.05 1.96 4.81 -1.25 -4.44 118.16 118.58 1qbk n LYS 479 Ca 0.10 0.30 -0.10 0.00 -0.87 0.00 0.00 58.31 57.73 1qbk n LYS 479 Cb 0.30 -1.61 0.02 0.00 0.02 0.00 0.00 35.03 33.75 1qbk n LYS 479 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1qbk h PRO 480 N -0.42 0.42 -0.84 1.64 0.13 -1.80 -2.86 132.00 128.28 1qbk h PRO 480 Ca -0.52 -0.35 0.00 0.00 -0.87 0.00 0.00 66.00 64.26 1qbk h PRO 480 Cb 1.75 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.96 1qbk h PRO 480 CO -0.14 1.00 0.00 -0.11 -0.23 0.00 0.00 178.00 178.51 1qbk n LEU 481 N -3.83 0.00 0.00 1.56 7.94 -0.72 -0.66 117.00 121.29 1qbk n LEU 481 Ca -0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.85 1qbk n LEU 481 Cb 0.72 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.67 1qbk n LEU 481 CO 0.49 0.00 0.00 0.41 -1.11 0.00 0.00 177.39 177.18 1qbk n THR 483 N 0.65 0.00 0.05 1.96 -1.04 -1.08 -0.44 114.28 114.38 1qbk n THR 483 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 1qbk n THR 483 Cb 0.00 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.38 1qbk n THR 483 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1qbk h GLU 484 N 0.00 0.08 -0.93 -2.82 4.39 -1.20 -3.02 114.58 111.09 1qbk h GLU 484 Ca 0.00 -0.14 0.03 0.00 0.34 0.00 0.00 59.36 59.59 1qbk h GLU 484 Cb 0.00 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.65 1qbk h GLU 484 CO 0.00 0.96 0.60 1.25 -1.16 0.00 0.00 179.01 180.67 1qbk h LEU 485 N 0.02 1.01 -0.85 1.33 5.85 -0.97 -1.92 115.31 119.79 1qbk h LEU 485 Ca -0.12 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.49 1qbk h LEU 485 Cb 1.89 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.67 1qbk h LEU 485 CO 0.14 0.70 -0.24 -0.07 -0.34 0.00 0.00 178.44 178.63 1qbk h LEU 486 N 1.18 0.59 -1.63 2.25 3.38 -1.75 -2.25 115.31 117.08 1qbk h LEU 486 Ca 0.36 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1qbk h LEU 486 Cb -0.03 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1qbk h LEU 486 CO -0.11 0.82 -0.20 0.11 0.09 0.00 0.00 178.44 179.14 1qbk h LYS 487 N 0.51 0.00 0.04 1.13 1.57 -1.23 -1.98 116.57 116.61 1qbk h LYS 487 Ca 0.07 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.60 1qbk h LYS 487 Cb 0.69 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.01 1qbk h LYS 487 CO 0.05 0.20 -1.05 0.00 -0.57 0.00 0.00 179.45 178.09 1qbk h ARG 488 N 0.00 0.49 -1.35 3.15 2.47 -1.02 -3.01 114.38 115.10 1qbk h ARG 488 Ca -0.00 -0.57 0.39 0.00 -1.26 0.00 0.00 59.98 58.54 1qbk h ARG 488 Cb 0.45 0.17 -0.07 0.00 -1.65 0.00 0.00 29.97 28.87 1qbk h ARG 488 CO 0.03 1.21 0.95 0.82 0.56 0.00 0.00 179.97 183.53 1qbk h ILE 489 N 0.25 0.30 -5.68 2.04 1.08 -0.78 -3.39 117.51 111.33 1qbk h ILE 489 Ca -0.11 -0.02 -0.42 0.00 -0.39 0.00 0.00 64.86 63.92 1qbk h ILE 489 Cb 1.71 0.23 -0.01 0.00 -3.07 0.00 0.00 36.82 35.68 1qbk h ILE 489 CO 0.19 0.01 -0.15 0.18 -0.69 0.00 0.00 178.15 177.69 1qbk n LEU 490 N -4.25 0.00 0.00 1.44 4.77 -1.14 -4.77 117.00 113.06 1qbk n LEU 490 Ca 0.31 -2.11 0.00 0.00 -0.03 0.00 0.00 56.01 54.18 1qbk n LEU 490 Cb 1.38 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 42.32 1qbk n LEU 490 CO 0.37 -0.58 0.00 -0.67 -1.33 0.00 0.00 177.39 175.18 1qbk n ASP 491 N -2.12 0.00 -0.00 -1.43 -0.08 -1.26 -4.84 116.55 106.81 1qbk n ASP 491 Ca 0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.32 1qbk n ASP 491 Cb 0.48 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.94 1qbk n ASP 491 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1qbk n SER 492 N -3.93 -2.25 -4.78 1.67 7.64 -1.26 -4.67 113.62 106.05 1qbk n SER 492 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 1qbk n SER 492 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 1qbk n SER 492 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1qbk s ASN 493 N -4.00 5.27 0.57 6.43 4.22 -1.26 -4.44 114.94 121.72 1qbk s ASN 493 Ca 0.00 -0.35 0.27 0.00 -2.14 0.00 0.00 52.86 50.64 1qbk s ASN 493 Cb 0.00 -1.26 1.52 0.00 1.28 0.00 0.00 41.25 42.79 1qbk s ASN 493 CO 0.00 -0.02 2.02 0.11 -2.04 0.00 0.00 177.10 177.16 1qbk h LYS 494 N 1.62 0.00 -0.37 3.55 1.57 -1.86 -0.50 116.57 120.58 1qbk h LYS 494 Ca -0.47 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.22 1qbk h LYS 494 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 1qbk h LYS 494 CO 0.61 0.00 -0.12 -0.09 -0.57 0.00 0.00 179.45 179.27 1qbk h ARG 495 N 0.00 0.74 0.56 3.15 2.43 -1.93 -2.18 114.38 117.15 1qbk h ARG 495 Ca 0.17 -0.30 -0.03 0.00 -0.81 0.00 0.00 59.98 59.01 1qbk h ARG 495 Cb 0.81 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 30.33 1qbk h ARG 495 CO -0.00 0.90 -0.27 0.28 -1.51 0.00 0.00 179.97 179.37 1qbk h VAL 496 N 0.53 0.45 -0.81 0.20 2.07 -1.44 -2.55 116.25 114.70 1qbk h VAL 496 Ca 0.09 -0.03 0.17 0.00 0.82 0.00 0.00 66.70 67.75 1qbk h VAL 496 Cb 0.65 0.46 -0.15 0.00 -1.52 0.00 0.00 31.29 30.73 1qbk h VAL 496 CO 0.04 0.00 -0.13 1.56 0.02 0.00 0.00 177.57 179.07 1qbk h GLN 497 N -0.77 0.03 0.59 1.57 4.20 -1.21 0.73 115.11 120.24 1qbk h GLN 497 Ca -0.08 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1qbk h GLN 497 Cb 0.58 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.36 1qbk h GLN 497 CO 0.13 0.02 -0.28 1.49 -0.67 0.00 0.00 178.83 179.51 1qbk h GLU 498 N 0.03 -0.76 -1.01 1.46 4.81 -1.28 -1.09 114.58 116.74 1qbk h GLU 498 Ca 0.41 0.05 0.25 0.00 -0.13 0.00 0.00 59.36 59.94 1qbk h GLU 498 Cb 0.68 0.17 -0.08 0.00 0.63 0.00 0.00 28.75 30.15 1qbk h GLU 498 CO -0.80 -0.45 0.66 0.00 -0.73 0.00 0.00 179.01 177.69 1qbk h ALA 499 N -0.74 2.25 -0.93 2.92 0.00 -0.91 -0.98 119.26 120.88 1qbk h ALA 499 Ca -0.08 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1qbk h ALA 499 Cb 0.66 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1qbk h ALA 499 CO 0.13 -0.62 0.00 0.00 0.00 0.00 0.00 179.25 178.76 1qbk n ALA 500 N -2.49 -0.33 -0.09 0.00 0.00 0.25 -2.62 120.51 115.22 1qbk n ALA 500 Ca 0.24 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.59 1qbk n ALA 500 Cb 0.84 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.22 1qbk n ALA 500 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qbk n SER 502 N -4.42 0.21 0.10 0.00 7.64 -0.42 0.86 113.62 117.59 1qbk n SER 502 Ca -0.02 1.61 -0.04 0.00 1.01 0.00 0.00 58.87 61.43 1qbk n SER 502 Cb 0.22 -0.73 -0.02 0.00 -1.01 0.00 0.00 64.21 62.67 1qbk n SER 502 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qbk h ALA 503 N 1.93 -0.83 -1.17 -0.43 0.00 -0.88 -2.87 119.26 115.00 1qbk h ALA 503 Ca 0.75 -0.05 0.34 0.00 0.00 0.00 0.00 54.91 55.95 1qbk h ALA 503 Cb 1.90 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 19.69 1qbk h ALA 503 CO -0.79 -0.81 0.78 0.35 0.00 0.00 0.00 179.25 178.77 1qbk h PHE 504 N -0.31 0.48 -0.88 0.00 3.57 -0.19 1.11 116.94 120.72 1qbk h PHE 504 Ca -0.03 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.57 1qbk h PHE 504 Cb 0.19 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 38.74 1qbk h PHE 504 CO 0.13 -0.03 0.57 0.00 -2.23 0.00 0.00 178.31 176.76 1qbk h ALA 505 N 1.56 1.59 0.12 2.41 0.00 0.55 -0.68 119.26 124.80 1qbk h ALA 505 Ca 0.66 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 55.28 1qbk h ALA 505 Cb 2.02 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1qbk h ALA 505 CO -0.27 0.26 -1.28 1.15 0.00 0.00 0.00 179.25 179.11 1qbk h THR 506 N 0.94 1.45 -0.10 0.00 2.02 0.14 -3.14 112.91 114.22 1qbk h THR 506 Ca 0.39 -3.04 0.02 0.00 0.77 0.00 0.00 66.41 64.55 1qbk h THR 506 Cb 0.30 2.91 -0.00 0.00 -1.74 0.00 0.00 68.15 69.61 1qbk h THR 506 CO -0.16 0.88 0.07 0.25 0.37 0.00 0.00 175.52 176.94 1qbk h LEU 507 N 0.07 0.04 0.09 2.58 5.85 0.04 -2.43 115.31 121.56 1qbk h LEU 507 Ca -0.15 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 1qbk h LEU 507 Cb 1.97 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.99 1qbk h LEU 507 CO 0.19 0.03 -0.05 -0.33 -0.34 0.00 0.00 178.44 177.95 1qbk h GLU 508 N 0.05 -0.12 -0.78 1.25 5.08 -1.20 -1.93 114.58 116.93 1qbk h GLU 508 Ca 0.05 0.01 0.22 0.00 -1.00 0.00 0.00 59.36 58.64 1qbk h GLU 508 Cb 0.12 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1qbk h GLU 508 CO -0.00 -0.08 1.16 0.39 -1.00 0.00 0.00 179.01 179.47 1qbk n GLU 509 N -2.74 0.02 -0.01 2.33 1.02 -1.14 -0.54 120.64 119.58 1qbk n GLU 509 Ca -0.02 0.99 -0.00 0.00 -0.02 0.00 0.00 57.16 58.11 1qbk n GLU 509 Cb 0.05 -2.51 -0.00 0.00 -0.02 0.00 0.00 31.44 28.96 1qbk n GLU 509 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1qbk h GLU 510 N 0.00 0.00 0.00 3.49 4.22 -1.46 -3.37 114.58 117.46 1qbk h GLU 510 Ca 0.37 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.81 1qbk h GLU 510 Cb 2.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.93 1qbk h GLU 510 CO -0.00 0.00 0.20 0.00 -2.18 0.00 0.00 179.01 177.03 1qbk h ALA 511 N -1.92 1.15 0.00 2.92 0.00 -0.18 -3.46 119.26 117.77 1qbk h ALA 511 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qbk h ALA 511 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1qbk h ALA 511 CO 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.10 1qbk n THR 513 N 0.00 0.00 0.87 0.00 -2.24 -1.21 -4.83 114.28 106.87 1qbk n THR 513 Ca 0.00 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 1qbk n THR 513 Cb 0.00 0.00 0.16 0.00 -2.10 0.00 0.00 70.33 68.39 1qbk n THR 513 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1qbk n GLU 514 N -2.00 0.09 0.08 -0.78 4.07 0.45 -3.69 120.64 118.85 1qbk n GLU 514 Ca 0.00 0.01 -0.00 0.00 -0.06 0.00 0.00 57.16 57.11 1qbk n GLU 514 Cb 0.00 -1.54 -0.05 0.00 -0.06 0.00 0.00 31.44 29.79 1qbk n GLU 514 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1qbk h LEU 515 N 0.00 0.00 -0.69 4.31 4.07 -1.88 -3.38 115.31 117.74 1qbk h LEU 515 Ca 0.00 0.00 0.24 0.00 0.08 0.00 0.00 57.88 58.20 1qbk h LEU 515 Cb 0.57 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 42.18 1qbk h LEU 515 CO 0.00 0.63 0.20 0.52 -1.08 0.00 0.00 178.44 178.71 1qbk n VAL 516 N -3.10 -0.29 -0.08 1.22 0.31 -1.24 0.35 118.33 115.51 1qbk n VAL 516 Ca -0.04 1.45 -0.09 0.00 -0.01 0.00 0.00 64.34 65.65 1qbk n VAL 516 Cb 0.82 -2.23 -0.01 0.00 -0.91 0.00 0.00 33.84 31.51 1qbk n VAL 516 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1qbk h PRO 517 N 0.00 0.33 -2.02 5.55 0.11 -1.85 -3.08 132.00 131.03 1qbk h PRO 517 Ca 0.50 -0.02 -0.74 0.00 0.11 0.00 0.00 66.00 65.85 1qbk h PRO 517 Cb 1.21 -0.07 -0.26 0.00 0.11 0.00 0.00 31.00 31.99 1qbk h PRO 517 CO -0.58 0.22 1.01 0.66 -0.21 0.00 0.00 178.00 179.09 1qbk n TYR 518 N -4.93 2.81 0.00 0.65 4.02 0.16 -4.71 117.16 115.15 1qbk n TYR 518 Ca -0.01 -2.30 0.00 0.00 -0.01 0.00 0.00 57.90 55.58 1qbk n TYR 518 Cb 0.05 -1.22 0.00 0.00 -0.02 0.00 0.00 39.34 38.15 1qbk n TYR 518 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 1qbk n LEU 519 N -0.33 0.98 -0.18 7.72 7.94 -1.17 -2.60 117.00 129.37 1qbk n LEU 519 Ca 0.53 0.39 0.17 0.00 -1.11 0.00 0.00 56.01 55.99 1qbk n LEU 519 Cb 0.27 -0.30 0.30 0.00 0.53 0.00 0.00 43.42 44.21 1qbk n LEU 519 CO 0.49 -0.30 0.53 0.00 -1.11 0.00 0.00 177.39 177.00 1qbk n ALA 520 N -1.40 0.55 0.01 1.96 0.00 -1.26 0.41 120.51 120.77 1qbk n ALA 520 Ca 0.00 0.47 -0.00 0.00 0.00 0.00 0.00 53.44 53.90 1qbk n ALA 520 Cb 0.00 -0.50 -0.00 0.00 0.00 0.00 0.00 19.45 18.95 1qbk n ALA 520 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1qbk h TYR 521 N 0.00 -0.02 -0.99 0.00 3.20 -1.93 -2.55 116.97 114.68 1qbk h TYR 521 Ca 0.41 -0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.46 1qbk h TYR 521 Cb 1.17 0.01 -0.18 0.00 1.54 0.00 0.00 36.73 39.27 1qbk h TYR 521 CO -0.00 -0.01 -0.30 0.82 -1.64 0.00 0.00 178.16 177.02 1qbk h ILE 522 N -0.04 0.00 -0.12 1.81 2.04 0.22 0.37 117.51 121.80 1qbk h ILE 522 Ca -0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 1qbk h ILE 522 Cb 0.02 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.05 1qbk h ILE 522 CO 0.00 0.00 -0.23 0.25 0.00 0.00 0.00 178.15 178.17 1qbk h LEU 523 N -0.00 -0.72 -2.40 1.44 5.85 -0.75 -1.47 115.31 117.26 1qbk h LEU 523 Ca 0.43 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 59.26 1qbk h LEU 523 Cb 0.68 0.32 -0.00 0.00 0.37 0.00 0.00 40.66 42.02 1qbk h LEU 523 CO -1.01 -0.28 -0.02 -0.78 -0.34 0.00 0.00 178.44 176.00 1qbk h ASP 524 N -0.30 0.00 0.26 1.25 -0.00 -0.49 0.21 116.42 117.35 1qbk h ASP 524 Ca 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 57.11 1qbk h ASP 524 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.78 1qbk h ASP 524 CO -0.29 0.02 -0.12 0.74 -0.00 0.00 0.00 179.24 179.59 1qbk h THR 525 N 0.00 0.69 0.16 2.25 2.02 -0.75 -2.71 112.91 114.56 1qbk h THR 525 Ca -0.00 -0.84 0.01 0.00 0.77 0.00 0.00 66.41 66.35 1qbk h THR 525 Cb 0.18 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 1qbk h THR 525 CO 0.00 0.15 -0.26 -0.07 0.37 0.00 0.00 175.52 175.72 1qbk h LEU 526 N -0.85 -0.72 -2.00 2.58 3.38 -0.74 -1.82 115.31 115.15 1qbk h LEU 526 Ca -0.04 0.08 0.19 0.00 0.09 0.00 0.00 57.88 58.20 1qbk h LEU 526 Cb 0.51 0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 1qbk h LEU 526 CO 0.06 -0.35 0.50 0.58 0.09 0.00 0.00 178.44 179.31 1qbk h VAL 527 N -0.49 0.60 0.02 1.22 2.07 -0.68 -0.14 116.25 118.85 1qbk h VAL 527 Ca 0.02 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.31 1qbk h VAL 527 Cb 0.49 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1qbk h VAL 527 CO -0.12 0.00 -0.99 0.15 0.02 0.00 0.00 177.57 176.63 1qbk h PHE 528 N 0.00 0.59 -0.66 1.57 3.57 -1.00 -3.27 116.94 117.74 1qbk h PHE 528 Ca 0.31 -0.34 0.14 0.00 3.53 0.00 0.00 57.97 61.61 1qbk h PHE 528 Cb 1.30 -0.06 -0.10 0.00 2.79 0.00 0.00 35.95 39.88 1qbk h PHE 528 CO 0.00 1.17 0.09 0.00 -2.23 0.00 0.00 178.31 177.34 1qbk h ALA 529 N 0.71 0.76 0.00 2.41 0.00 -0.57 0.14 119.26 122.72 1qbk h ALA 529 Ca -0.09 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1qbk h ALA 529 Cb 1.64 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1qbk h ALA 529 CO 0.17 -0.36 0.49 0.74 0.00 0.00 0.00 179.25 180.29 1qbk h PHE 530 N 0.20 0.00 -0.01 0.00 -1.00 -1.59 1.25 116.94 115.78 1qbk h PHE 530 Ca 0.36 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.14 1qbk h PHE 530 Cb 0.59 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.15 1qbk h PHE 530 CO -0.31 0.00 -0.38 0.45 -1.61 0.00 0.00 178.31 176.46 1qbk n SER 531 N -2.44 1.94 0.00 2.17 2.88 0.47 -4.53 113.62 114.10 1qbk n SER 531 Ca -0.01 -1.47 0.00 0.00 -1.33 0.00 0.00 58.87 56.06 1qbk n SER 531 Cb 0.51 0.43 0.00 0.00 -0.75 0.00 0.00 64.21 64.41 1qbk n SER 531 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1qbk n LYS 532 N 0.05 2.41 -2.22 -1.46 4.81 0.39 -5.09 118.16 117.05 1qbk n LYS 532 Ca 0.08 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.17 1qbk n LYS 532 Cb 0.42 -0.93 0.01 0.00 0.02 0.00 0.00 35.03 34.55 1qbk n LYS 532 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1qbk s TYR 533 N -1.79 2.64 0.45 5.64 1.51 0.11 -4.86 117.35 121.05 1qbk s TYR 533 Ca 0.00 1.54 0.06 0.00 -1.01 0.00 0.00 57.07 57.66 1qbk s TYR 533 Cb 0.00 -3.31 0.01 0.00 -0.11 0.00 0.00 41.96 38.56 1qbk s TYR 533 CO 0.00 -1.64 0.62 -1.14 -1.11 0.00 0.00 175.55 172.27 1qbk s GLN 534 N -3.31 2.79 0.13 -0.62 2.00 -1.26 -4.82 119.66 114.56 1qbk s GLN 534 Ca 0.73 -1.09 -0.33 0.00 -2.00 0.00 0.00 55.36 52.68 1qbk s GLN 534 Cb -0.24 -2.69 -0.10 0.00 0.80 0.00 0.00 33.01 30.77 1qbk s GLN 534 CO 0.28 -0.36 1.55 1.25 -0.50 0.00 0.00 175.29 177.52 1qbk h HIS 535 N 0.51 -1.62 -0.67 1.67 2.76 -1.95 0.30 115.15 116.16 1qbk h HIS 535 Ca -0.41 0.07 0.14 0.00 -2.20 0.00 0.00 60.37 57.97 1qbk h HIS 535 Cb 1.28 0.75 -0.12 0.00 1.55 0.00 0.00 27.41 30.87 1qbk h HIS 535 CO 0.40 -0.51 -0.07 -0.22 -1.30 0.00 0.00 177.93 176.23 1qbk h LYS 536 N -0.46 0.06 0.00 5.26 3.64 -1.95 -1.83 116.57 121.29 1qbk h LYS 536 Ca 0.07 -0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.25 1qbk h LYS 536 Cb 0.63 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 1qbk h LYS 536 CO -0.53 0.04 -0.93 -0.91 -2.27 0.00 0.00 179.45 174.85 1qbk h ASN 537 N 0.06 0.01 -0.79 4.20 -0.26 -1.78 -3.24 115.58 113.78 1qbk h ASN 537 Ca 0.34 -0.01 0.13 0.00 -0.56 0.00 0.00 56.30 56.20 1qbk h ASN 537 Cb 0.56 -0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 37.76 1qbk h ASN 537 CO -0.62 0.93 0.52 0.25 -1.06 0.00 0.00 177.43 177.44 1qbk h LEU 538 N 0.00 0.54 -1.41 1.61 5.85 0.43 0.21 115.31 122.54 1qbk h LEU 538 Ca -0.01 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 1qbk h LEU 538 Cb 1.63 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.57 1qbk h LEU 538 CO 0.12 0.29 -0.16 -0.07 -0.34 0.00 0.00 178.44 178.28 1qbk h LEU 539 N 0.58 0.18 0.05 2.25 3.38 -1.52 -0.88 115.31 119.35 1qbk h LEU 539 Ca 0.38 -0.04 -0.24 0.00 0.09 0.00 0.00 57.88 58.08 1qbk h LEU 539 Cb 0.68 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1qbk h LEU 539 CO -0.15 0.36 -1.14 0.40 0.09 0.00 0.00 178.44 178.01 1qbk h ILE 540 N 0.18 1.58 -0.07 1.22 2.04 -0.83 -2.90 117.51 118.74 1qbk h ILE 540 Ca 0.04 -3.25 0.01 0.00 1.00 0.00 0.00 64.86 62.66 1qbk h ILE 540 Cb 0.40 2.86 -0.01 0.00 -0.74 0.00 0.00 36.82 39.33 1qbk h ILE 540 CO 0.03 0.92 0.00 0.25 0.00 0.00 0.00 178.15 179.35 1qbk h LEU 541 N 0.03 -0.02 -0.09 1.44 5.85 -0.20 0.29 115.31 122.61 1qbk h LEU 541 Ca -0.07 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.70 1qbk h LEU 541 Cb 1.86 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 42.85 1qbk h LEU 541 CO 0.15 0.00 -0.35 1.88 -0.34 0.00 0.00 178.44 179.79 1qbk h TYR 542 N 0.03 -0.96 -0.95 1.25 0.99 -1.20 -0.82 116.97 115.31 1qbk h TYR 542 Ca 0.03 0.04 0.11 0.00 2.00 0.00 0.00 58.73 60.91 1qbk h TYR 542 Cb 0.03 0.44 -0.07 0.00 1.00 0.00 0.00 36.73 38.13 1qbk h TYR 542 CO -0.11 -0.42 0.61 -0.44 -0.00 0.00 0.00 178.16 177.79 1qbk h ASP 543 N -0.45 0.87 0.24 3.88 5.19 -1.25 -1.78 116.42 123.11 1qbk h ASP 543 Ca 0.08 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.52 1qbk h ASP 543 Cb 0.57 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.93 1qbk h ASP 543 CO -0.34 0.49 -0.27 0.00 -3.12 0.00 0.00 179.24 176.00 1qbk h ALA 544 N 1.54 -0.94 -0.60 3.45 0.00 0.98 -1.65 119.26 122.04 1qbk h ALA 544 Ca 0.46 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.38 1qbk h ALA 544 Cb 0.45 0.54 -0.12 0.00 0.00 0.00 0.00 17.79 18.67 1qbk h ALA 544 CO -0.22 -0.96 -0.26 0.82 0.00 0.00 0.00 179.25 178.63 1qbk h ILE 545 N -0.52 0.25 -0.82 0.00 2.04 -0.96 0.25 117.51 117.76 1qbk h ILE 545 Ca -0.03 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.94 1qbk h ILE 545 Cb 0.46 0.25 -0.06 0.00 -0.74 0.00 0.00 36.82 36.73 1qbk h ILE 545 CO -0.05 0.00 0.53 1.23 0.00 0.00 0.00 178.15 179.86 1qbk h GLY 546 N -0.10 1.06 0.63 5.37 0.00 -1.23 0.18 103.07 108.98 1qbk h GLY 546 Ca 0.26 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 1qbk h GLY 546 CO -0.67 0.15 -0.03 -0.84 0.00 0.00 0.00 176.54 175.15 1qbk h THR 547 N 0.70 1.16 -0.96 4.70 2.02 0.39 -1.37 112.91 119.56 1qbk h THR 547 Ca 0.39 -0.82 0.20 0.00 0.77 0.00 0.00 66.41 66.95 1qbk h THR 547 Cb 0.53 1.69 -0.11 0.00 -1.74 0.00 0.00 68.15 68.52 1qbk h THR 547 CO -0.15 0.20 0.54 0.25 0.37 0.00 0.00 175.52 176.73 1qbk h LEU 548 N -0.46 0.65 -0.36 2.58 5.85 -0.15 -0.02 115.31 123.40 1qbk h LEU 548 Ca -0.01 0.11 -0.12 0.00 0.84 0.00 0.00 57.88 58.70 1qbk h LEU 548 Cb 0.40 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1qbk h LEU 548 CO 0.02 0.19 -0.25 0.00 -0.34 0.00 0.00 178.44 178.06 1qbk h ALA 549 N 1.66 0.51 -0.09 1.25 0.00 -0.83 -0.82 119.26 120.94 1qbk h ALA 549 Ca 0.57 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1qbk h ALA 549 Cb 0.94 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1qbk h ALA 549 CO -0.42 0.51 -0.16 -0.44 0.00 0.00 0.00 179.25 178.73 1qbk h ASP 550 N 0.59 0.13 0.05 0.00 3.32 0.09 -2.48 116.42 118.11 1qbk h ASP 550 Ca 0.07 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1qbk h ASP 550 Cb 0.81 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1qbk h ASP 550 CO 0.07 0.31 -0.02 0.28 -1.72 0.00 0.00 179.24 178.15 1qbk h SER 551 N 0.13 -0.05 -0.27 6.45 0.02 -0.85 -3.35 113.55 115.64 1qbk h SER 551 Ca 0.03 -0.50 -0.06 0.00 -0.84 0.00 0.00 61.79 60.42 1qbk h SER 551 Cb 0.37 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 1qbk h SER 551 CO 0.02 0.66 -0.00 0.58 -1.14 0.00 0.00 176.83 176.95 1qbk h VAL 552 N -0.96 1.21 0.00 2.27 2.07 -1.21 -3.20 116.25 116.43 1qbk h VAL 552 Ca -0.01 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1qbk h VAL 552 Cb 0.55 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1qbk h VAL 552 CO 0.01 0.29 0.00 0.61 0.02 0.00 0.00 177.57 178.51 1qbk n GLY 553 N -0.81 -1.43 0.25 2.17 0.00 -0.94 -3.70 105.19 100.75 1qbk n GLY 553 Ca 0.02 -1.30 0.10 0.00 0.00 0.00 0.00 46.02 44.85 1qbk n GLY 553 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1qbk h HIS 554 N 0.00 0.00 -0.53 1.61 3.86 -1.89 -0.88 115.15 117.33 1qbk h HIS 554 Ca 0.00 0.00 0.15 0.00 -1.16 0.00 0.00 60.37 59.36 1qbk h HIS 554 Cb 0.00 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 1qbk h HIS 554 CO 0.00 0.00 0.45 0.45 0.86 0.00 0.00 177.93 179.69 1qbk h HIS 555 N 0.00 0.00 0.00 2.45 3.86 -1.81 0.53 115.15 120.17 1qbk h HIS 555 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1qbk h HIS 555 Cb 0.70 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.17 1qbk h HIS 555 CO 0.00 0.00 0.00 -0.11 0.86 0.00 0.00 177.93 178.68 1qbk n LEU 556 N -4.03 0.00 -4.53 2.43 7.94 -0.33 -4.48 117.00 114.00 1qbk n LEU 556 Ca 0.10 0.34 -0.43 0.00 -1.11 0.00 0.00 56.01 54.91 1qbk n LEU 556 Cb 0.67 -0.34 -0.01 0.00 0.53 0.00 0.00 43.42 44.27 1qbk n LEU 556 CO 0.33 -0.12 1.60 0.21 -1.11 0.00 0.00 177.39 178.30 1qbk s ASN 557 N -2.69 6.79 -0.25 1.96 2.47 0.18 -4.37 114.94 119.03 1qbk s ASN 557 Ca 0.16 -2.29 -0.12 0.00 0.42 0.00 0.00 52.86 51.03 1qbk s ASN 557 Cb 0.13 -2.51 0.09 0.00 -1.45 0.00 0.00 41.25 37.51 1qbk s ASN 557 CO 0.31 -1.14 0.59 -0.54 -3.72 0.00 0.00 177.10 172.61 1qbk s LYS 558 N 3.60 0.57 0.11 0.43 1.02 -1.26 -5.06 119.74 119.14 1qbk s LYS 558 Ca 0.47 1.19 -0.06 0.00 0.02 0.00 0.00 55.97 57.58 1qbk s LYS 558 Cb 0.00 0.34 0.14 0.00 -0.52 0.00 0.00 37.83 37.79 1qbk s LYS 558 CO -0.00 -0.18 0.68 -2.30 -0.92 0.00 0.00 175.35 172.63 1qbk n PRO 559 N 4.76 -0.08 -0.11 -1.68 -0.02 -1.26 0.07 135.00 136.67 1qbk n PRO 559 Ca -0.17 0.67 -0.05 0.00 -2.02 0.00 0.00 63.50 61.93 1qbk n PRO 559 Cb 0.54 -1.00 0.02 0.00 -0.02 0.00 0.00 33.50 33.05 1qbk n PRO 559 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1qbk h GLU 560 N 0.00 0.20 0.32 -0.52 4.81 -1.97 -1.27 114.58 116.15 1qbk h GLU 560 Ca 0.17 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1qbk h GLU 560 Cb 0.28 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1qbk h GLU 560 CO -0.44 0.13 -0.15 1.88 -0.73 0.00 0.00 179.01 179.70 1qbk h TYR 561 N 0.21 -0.40 -0.77 0.92 0.05 -0.69 -3.32 116.97 112.97 1qbk h TYR 561 Ca 0.18 -0.01 0.15 0.00 0.05 0.00 0.00 58.73 59.10 1qbk h TYR 561 Cb 0.21 0.13 -0.14 0.00 1.01 0.00 0.00 36.73 37.94 1qbk h TYR 561 CO -0.19 -0.25 -0.25 0.82 -1.05 0.00 0.00 178.16 177.24 1qbk h ILE 562 N -0.63 0.18 0.00 -2.88 2.04 -1.48 -2.20 117.51 112.54 1qbk h ILE 562 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1qbk h ILE 562 Cb 0.33 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1qbk h ILE 562 CO 0.07 0.00 0.00 1.67 0.00 0.00 0.00 178.15 179.89 1qbk n GLN 563 N -5.50 0.00 -0.51 2.37 7.27 -0.48 -4.70 117.38 115.84 1qbk n GLN 563 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.17 1qbk n GLN 563 Cb 0.39 -1.07 0.00 0.00 2.41 0.00 0.00 30.24 31.97 1qbk n GLN 563 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1qbk n LEU 565 N 0.61 0.00 0.00 1.69 7.94 -0.83 -5.03 117.00 121.37 1qbk n LEU 565 Ca 0.00 0.04 0.00 0.00 -1.11 0.00 0.00 56.01 54.94 1qbk n LEU 565 Cb 0.00 -0.11 0.00 0.00 0.53 0.00 0.00 43.42 43.84 1qbk n LEU 565 CO 0.00 0.00 0.00 -2.65 -1.11 0.00 0.00 177.39 173.63 1qbk n PRO 567 N -0.26 0.00 -0.18 1.96 -0.02 -1.26 -3.51 135.00 131.72 1qbk n PRO 567 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.39 1qbk n PRO 567 Cb 0.04 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.53 1qbk n PRO 567 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1qbk h PRO 568 N 0.00 0.88 0.16 0.52 0.13 -1.96 -2.01 132.00 129.71 1qbk h PRO 568 Ca 0.00 -0.24 -0.01 0.00 -0.87 0.00 0.00 66.00 64.88 1qbk h PRO 568 Cb 0.00 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.03 1qbk h PRO 568 CO 0.00 0.86 -0.07 -0.07 -0.23 0.00 0.00 178.00 178.49 1qbk h LEU 569 N 0.76 -0.18 -1.26 1.56 3.38 -2.01 -2.37 115.31 115.20 1qbk h LEU 569 Ca 0.16 -0.10 0.22 0.00 0.09 0.00 0.00 57.88 58.25 1qbk h LEU 569 Cb 0.42 0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.12 1qbk h LEU 569 CO 0.01 -0.01 0.63 0.40 0.09 0.00 0.00 178.44 179.56 1qbk h ILE 570 N -0.34 0.63 -0.66 1.22 2.04 -1.86 0.58 117.51 119.12 1qbk h ILE 570 Ca -0.02 -0.18 0.06 0.00 1.00 0.00 0.00 64.86 65.72 1qbk h ILE 570 Cb 0.27 0.04 -0.06 0.00 -0.74 0.00 0.00 36.82 36.34 1qbk h ILE 570 CO 0.04 0.10 0.36 -0.61 0.00 0.00 0.00 178.15 178.03 1qbk h GLN 571 N 0.54 0.64 0.39 2.37 -0.00 -0.83 -1.58 115.11 116.63 1qbk h GLN 571 Ca 0.56 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.65 59.15 1qbk h GLN 571 Cb 1.20 -0.14 0.00 0.00 0.00 0.00 0.00 27.48 28.54 1qbk h GLN 571 CO -0.31 0.42 -0.19 0.87 0.00 0.00 0.00 178.83 179.63 1qbk h LYS 572 N 0.66 -0.50 -0.93 1.69 1.79 -0.72 -3.29 116.57 115.27 1qbk h LYS 572 Ca 0.30 0.03 0.25 0.00 -2.18 0.00 0.00 60.65 59.06 1qbk h LYS 572 Cb 0.20 0.11 -0.17 0.00 -1.58 0.00 0.00 32.23 30.79 1qbk h LYS 572 CO -0.19 -0.20 0.01 1.87 -1.08 0.00 0.00 179.45 179.86 1qbk n TRP 573 N -5.14 0.59 -0.55 -1.35 -0.00 -0.30 -2.17 117.44 108.52 1qbk n TRP 573 Ca -0.09 1.12 -0.01 0.00 -0.00 0.00 0.00 57.50 58.52 1qbk n TRP 573 Cb 0.27 -1.19 -0.02 0.00 -0.00 0.00 0.00 31.31 30.37 1qbk n TRP 573 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 1qbk n ASN 574 N -5.37 5.29 0.00 5.87 3.02 -0.61 -4.93 115.26 118.52 1qbk n ASN 574 Ca 0.22 -2.40 0.00 0.00 -0.03 0.00 0.00 54.58 52.36 1qbk n ASN 574 Cb 0.71 -1.15 0.00 0.00 -0.61 0.00 0.00 39.78 38.73 1qbk n ASN 574 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1qbk n LEU 576 N 1.61 0.00 -4.77 3.41 4.77 -0.92 -5.11 117.00 115.99 1qbk n LEU 576 Ca 0.04 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.72 1qbk n LEU 576 Cb 0.54 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.73 1qbk n LEU 576 CO 0.01 0.00 0.69 -0.54 -1.33 0.00 0.00 177.39 176.23 1qbk s LYS 577 N 0.00 2.05 0.00 3.23 1.02 -1.26 -4.87 119.74 119.90 1qbk s LYS 577 Ca 0.00 0.98 0.11 0.00 0.02 0.00 0.00 55.97 57.08 1qbk s LYS 577 Cb 0.00 -1.89 0.68 0.00 -0.52 0.00 0.00 37.83 36.11 1qbk s LYS 577 CO 0.00 -1.73 1.17 -0.25 -0.92 0.00 0.00 175.35 173.61 1qbk n ASP 578 N -3.56 0.00 -0.00 2.83 9.92 -1.26 -2.29 116.55 122.19 1qbk n ASP 578 Ca 0.08 -0.86 0.03 0.00 -0.53 0.00 0.00 54.79 53.51 1qbk n ASP 578 Cb 0.54 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.98 1qbk n ASP 578 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1qbk n GLU 579 N -0.79 4.01 -2.09 -1.24 1.02 -1.26 -5.00 120.64 115.29 1qbk n GLU 579 Ca 0.09 -0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.79 1qbk n GLU 579 Cb 0.04 -0.86 -0.03 0.00 -0.02 0.00 0.00 31.44 30.57 1qbk n GLU 579 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1qbk s ASP 580 N -1.81 6.74 0.58 1.62 -1.08 -0.97 -4.89 116.67 116.86 1qbk s ASP 580 Ca 0.01 2.26 0.32 0.00 -0.52 0.00 0.00 52.55 54.62 1qbk s ASP 580 Cb 0.05 -2.56 1.80 0.00 -1.46 0.00 0.00 42.92 40.74 1qbk s ASP 580 CO 0.26 -0.80 2.21 0.11 0.52 0.00 0.00 175.17 177.46 1qbk h LYS 581 N 8.18 0.00 -0.11 4.34 1.79 -1.94 -1.62 116.57 127.20 1qbk h LYS 581 Ca -0.40 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.11 1qbk h LYS 581 Cb 1.19 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.83 1qbk h LYS 581 CO 0.92 0.04 0.24 -0.44 -1.08 0.00 0.00 179.45 179.13 1qbk h ASP 582 N 0.00 0.00 -0.90 0.86 3.32 -1.96 0.10 116.42 117.84 1qbk h ASP 582 Ca -0.00 0.00 0.22 0.00 0.02 0.00 0.00 57.03 57.27 1qbk h ASP 582 Cb 0.14 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.63 1qbk h ASP 582 CO 0.01 0.00 0.61 -0.07 -1.72 0.00 0.00 179.24 178.07 1qbk h LEU 583 N 0.00 0.30 0.63 1.55 3.38 -1.65 -1.99 115.31 117.54 1qbk h LEU 583 Ca 0.05 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1qbk h LEU 583 Cb 0.54 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1qbk h LEU 583 CO -0.00 0.11 -0.47 -0.26 0.09 0.00 0.00 178.44 177.91 1qbk h PHE 584 N 0.30 -1.28 -0.44 1.13 0.05 -1.20 0.63 116.94 116.12 1qbk h PHE 584 Ca 0.47 -0.00 0.06 0.00 3.82 0.00 0.00 57.97 62.32 1qbk h PHE 584 Cb 1.33 0.47 -0.05 0.00 2.00 0.00 0.00 35.95 39.70 1qbk h PHE 584 CO -0.00 -0.67 0.13 -1.35 -0.18 0.00 0.00 178.31 176.24 1qbk h PRO 585 N -1.06 0.27 0.28 1.51 0.11 -1.59 0.40 132.00 131.92 1qbk h PRO 585 Ca -0.08 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 1qbk h PRO 585 Cb 0.88 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1qbk h PRO 585 CO 0.03 0.18 -0.13 1.25 -0.21 0.00 0.00 178.00 179.12 1qbk h LEU 586 N 0.28 -0.32 -0.97 2.35 5.85 -1.25 0.65 115.31 121.90 1qbk h LEU 586 Ca 0.21 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.83 1qbk h LEU 586 Cb 0.23 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1qbk h LEU 586 CO -0.24 -0.19 -0.13 -0.07 -0.34 0.00 0.00 178.44 177.47 1qbk h LEU 587 N -0.42 0.59 -0.90 2.25 3.38 0.49 -0.05 115.31 120.64 1qbk h LEU 587 Ca -0.04 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.69 1qbk h LEU 587 Cb 0.32 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1qbk h LEU 587 CO 0.06 0.74 -0.02 -0.33 0.09 0.00 0.00 178.44 178.99 1qbk h GLU 588 N 0.55 0.78 0.71 1.13 5.08 -0.02 0.39 114.58 123.21 1qbk h GLU 588 Ca 0.10 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 1qbk h GLU 588 Cb 0.54 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.71 1qbk h GLU 588 CO 0.03 0.81 -0.34 0.00 -1.00 0.00 0.00 179.01 178.51 1qbk h LEU 590 N -1.09 -1.46 -1.30 0.00 3.38 -0.82 0.24 115.31 114.26 1qbk h LEU 590 Ca -0.10 0.23 0.43 0.00 0.09 0.00 0.00 57.88 58.53 1qbk h LEU 590 Cb 0.73 0.65 -0.11 0.00 0.09 0.00 0.00 40.66 42.03 1qbk h LEU 590 CO 0.16 -0.35 0.87 -0.24 0.09 0.00 0.00 178.44 178.97 1qbk n SER 591 N -5.41 0.13 -0.05 -0.43 2.88 0.14 0.04 113.62 110.92 1qbk n SER 591 Ca 0.01 1.09 -0.02 0.00 -1.33 0.00 0.00 58.87 58.62 1qbk n SER 591 Cb 0.35 -0.54 -0.01 0.00 -0.75 0.00 0.00 64.21 63.27 1qbk n SER 591 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1qbk h SER 592 N 0.00 0.00 -0.91 -3.46 0.02 -0.45 -3.35 113.55 105.41 1qbk h SER 592 Ca 0.76 0.00 0.25 0.00 -0.84 0.00 0.00 61.79 61.96 1qbk h SER 592 Cb 2.61 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 65.01 1qbk h SER 592 CO -0.30 0.52 0.34 0.58 -1.14 0.00 0.00 176.83 176.84 1qbk h VAL 593 N -0.88 0.33 -0.35 2.27 2.07 0.37 0.30 116.25 120.37 1qbk h VAL 593 Ca 0.00 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.44 1qbk h VAL 593 Cb 0.17 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 1qbk h VAL 593 CO 0.00 0.05 0.23 0.00 0.02 0.00 0.00 177.57 177.87 1qbk h ALA 594 N 1.79 1.80 0.00 1.67 0.00 -0.57 -1.22 119.26 122.73 1qbk h ALA 594 Ca 0.60 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.42 1qbk h ALA 594 Cb 1.23 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1qbk h ALA 594 CO -0.63 0.17 -0.44 1.15 0.00 0.00 0.00 179.25 179.51 1qbk h THR 595 N 0.43 0.46 0.02 0.00 2.02 -0.54 -3.25 112.91 112.04 1qbk h THR 595 Ca 0.13 -1.68 -0.27 0.00 0.77 0.00 0.00 66.41 65.37 1qbk h THR 595 Cb 0.01 2.17 -0.03 0.00 -1.74 0.00 0.00 68.15 68.56 1qbk h THR 595 CO -0.03 0.26 -1.43 0.00 0.37 0.00 0.00 175.52 174.69 1qbk h ALA 596 N 1.71 0.53 -0.00 6.16 0.00 -0.83 -3.30 119.26 123.52 1qbk h ALA 596 Ca -0.02 -1.20 0.00 0.00 0.00 0.00 0.00 54.91 53.69 1qbk h ALA 596 Cb 1.24 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1qbk h ALA 596 CO 0.04 1.38 -0.04 1.28 0.00 0.00 0.00 179.25 181.91 1qbk n LEU 597 N -3.24 0.11 0.00 0.00 4.32 -0.55 -3.85 117.00 113.80 1qbk n LEU 597 Ca -0.11 0.25 0.00 0.00 -0.02 0.00 0.00 56.01 56.13 1qbk n LEU 597 Cb 1.01 -0.29 0.00 0.00 -1.62 0.00 0.00 43.42 42.52 1qbk n LEU 597 CO 0.47 0.02 0.00 0.00 -1.22 0.00 0.00 177.39 176.66 1qbk n GLN 598 N -1.26 0.00 0.00 3.23 6.02 -1.23 0.33 117.38 124.48 1qbk n GLN 598 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 1qbk n GLN 598 Cb 0.27 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.53 1qbk n GLN 598 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1qbk n SER 599 N 0.64 0.00 0.00 1.08 2.88 -1.21 -4.59 113.62 112.42 1qbk n SER 599 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 1qbk n SER 599 Cb 0.00 -0.00 0.67 0.00 -0.75 0.00 0.00 64.21 64.13 1qbk n SER 599 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qbk n GLY 600 N -0.01 -0.74 0.00 0.46 0.00 1.01 -1.73 105.19 104.17 1qbk n GLY 600 Ca 0.00 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 45.96 1qbk n GLY 600 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1qbk n PHE 601 N -1.02 0.00 -0.38 1.61 7.35 -1.20 -4.63 117.46 119.18 1qbk n PHE 601 Ca 0.17 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.76 1qbk n PHE 601 Cb 0.09 -0.07 -0.09 0.00 0.35 0.00 0.00 39.48 39.76 1qbk n PHE 601 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1qbk n LEU 602 N -1.51 -0.96 -2.51 -2.13 4.77 -0.71 -1.34 117.00 112.61 1qbk n LEU 602 Ca 0.02 1.66 -0.00 0.00 -0.03 0.00 0.00 56.01 57.66 1qbk n LEU 602 Cb 0.29 -0.23 -0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1qbk n LEU 602 CO 0.33 -1.34 0.54 -0.81 -1.33 0.00 0.00 177.39 174.79 1qbk n PRO 603 N -5.09 0.04 0.00 3.23 -0.05 -1.26 -0.33 135.00 131.54 1qbk n PRO 603 Ca 0.02 -0.04 0.00 0.00 -0.05 0.00 0.00 63.50 63.43 1qbk n PRO 603 Cb 0.24 -1.53 0.00 0.00 -0.05 0.00 0.00 33.50 32.16 1qbk n PRO 603 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 1qbk n TYR 604 N 3.07 0.00 -0.19 0.54 4.02 -0.45 -5.05 117.16 119.10 1qbk n TYR 604 Ca 0.01 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.80 1qbk n TYR 604 Cb 0.02 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.35 1qbk n TYR 604 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1qbk h GLU 606 N 0.87 -0.19 -0.13 0.00 5.08 -1.92 0.27 114.58 118.56 1qbk h GLU 606 Ca 0.16 0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.39 1qbk h GLU 606 Cb 0.56 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1qbk h GLU 606 CO 0.03 -0.13 -0.53 -1.00 -1.00 0.00 0.00 179.01 176.38 1qbk h PRO 607 N -0.20 0.37 -0.26 2.33 0.13 -1.97 0.12 132.00 132.52 1qbk h PRO 607 Ca 0.20 -0.23 0.02 0.00 -0.87 0.00 0.00 66.00 65.12 1qbk h PRO 607 Cb 0.56 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.69 1qbk h PRO 607 CO -0.70 0.81 0.12 0.28 -0.23 0.00 0.00 178.00 178.29 1qbk h VAL 608 N 0.29 0.99 0.35 1.56 2.07 -1.22 0.59 116.25 120.87 1qbk h VAL 608 Ca 0.01 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1qbk h VAL 608 Cb 1.03 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1qbk h VAL 608 CO 0.09 0.05 -0.21 0.22 0.02 0.00 0.00 177.57 177.74 1qbk h TYR 609 N 0.27 -0.55 -0.56 1.57 3.20 -0.35 -2.89 116.97 117.65 1qbk h TYR 609 Ca 0.11 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.07 1qbk h TYR 609 Cb 0.04 0.20 -0.08 0.00 1.54 0.00 0.00 36.73 38.42 1qbk h TYR 609 CO -0.10 -0.33 0.12 0.37 -1.64 0.00 0.00 178.16 176.58 1qbk h GLN 610 N -0.54 0.25 -0.50 1.82 5.75 -0.30 -2.07 115.11 119.51 1qbk h GLN 610 Ca -0.04 -0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.52 1qbk h GLN 610 Cb 0.44 -0.06 -0.06 0.00 1.07 0.00 0.00 27.48 28.88 1qbk h GLN 610 CO 0.04 0.16 0.16 -0.09 -2.65 0.00 0.00 178.83 176.46 1qbk h ARG 611 N 0.25 0.32 0.67 1.69 2.43 -0.74 -1.41 114.38 117.60 1qbk h ARG 611 Ca 0.29 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.41 1qbk h ARG 611 Cb 0.42 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1qbk h ARG 611 CO -0.37 0.21 -0.43 0.00 -1.51 0.00 0.00 179.97 177.87 1qbk h VAL 613 N -1.04 0.60 -0.73 0.00 2.07 -1.21 -0.97 116.25 114.96 1qbk h VAL 613 Ca -0.08 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1qbk h VAL 613 Cb 0.85 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1qbk h VAL 613 CO 0.08 0.03 0.38 0.78 0.02 0.00 0.00 177.57 178.85 1qbk h ASN 614 N 0.16 0.92 -0.48 0.57 -0.26 -1.09 -0.42 115.58 114.97 1qbk h ASN 614 Ca 0.28 -0.09 -0.06 0.00 -0.56 0.00 0.00 56.30 55.88 1qbk h ASN 614 Cb 0.42 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.43 1qbk h ASN 614 CO -0.43 0.76 0.08 -0.07 -1.06 0.00 0.00 177.43 176.71 1qbk h LEU 615 N 1.03 0.76 -0.69 1.61 3.38 -0.17 0.15 115.31 121.38 1qbk h LEU 615 Ca 0.26 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1qbk h LEU 615 Cb 0.06 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1qbk h LEU 615 CO -0.04 0.83 0.30 0.58 0.09 0.00 0.00 178.44 180.20 1qbk h VAL 616 N 0.67 1.24 -0.29 1.22 2.07 -0.84 0.98 116.25 121.29 1qbk h VAL 616 Ca 0.15 -0.72 -0.06 0.00 0.82 0.00 0.00 66.70 66.88 1qbk h VAL 616 Cb 0.39 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1qbk h VAL 616 CO 0.01 0.29 -0.10 1.56 0.02 0.00 0.00 177.57 179.35 1qbk h GLN 617 N 0.97 0.47 0.16 1.57 4.20 -0.66 -1.26 115.11 120.56 1qbk h GLN 617 Ca 0.23 -0.12 -0.27 0.00 0.06 0.00 0.00 58.65 58.55 1qbk h GLN 617 Cb 0.18 -0.06 0.03 0.00 0.30 0.00 0.00 27.48 27.93 1qbk h GLN 617 CO -0.02 0.57 -1.16 0.87 -0.67 0.00 0.00 178.83 178.42 1qbk h LYS 618 N 0.44 0.51 -0.37 1.46 1.57 -0.28 -3.21 116.57 116.69 1qbk h LYS 618 Ca 0.09 -0.76 -0.07 0.00 -1.87 0.00 0.00 60.65 58.04 1qbk h LYS 618 Cb 0.44 0.27 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 1qbk h LYS 618 CO 0.02 1.35 -0.04 1.15 -0.57 0.00 0.00 179.45 181.36 1qbk h THR 619 N 0.05 1.27 -0.88 -0.16 2.02 -0.72 0.87 112.91 115.36 1qbk h THR 619 Ca -0.19 -1.07 0.12 0.00 0.77 0.00 0.00 66.41 66.04 1qbk h THR 619 Cb 1.88 1.21 -0.08 0.00 -1.74 0.00 0.00 68.15 69.42 1qbk h THR 619 CO 0.22 0.36 0.51 -0.07 0.37 0.00 0.00 175.52 176.90 1qbk h LEU 620 N 0.50 0.70 0.03 2.58 3.38 -1.36 -1.04 115.31 120.10 1qbk h LEU 620 Ca 0.10 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1qbk h LEU 620 Cb 0.53 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1qbk h LEU 620 CO 0.03 0.36 -0.01 0.00 0.09 0.00 0.00 178.44 178.91 1qbk h ALA 621 N 1.51 -0.04 -0.95 1.53 0.00 -1.48 -3.01 119.26 116.82 1qbk h ALA 621 Ca 0.45 -0.26 0.25 0.00 0.00 0.00 0.00 54.91 55.35 1qbk h ALA 621 Cb 0.49 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 1qbk h ALA 621 CO -0.29 -0.25 0.65 0.37 0.00 0.00 0.00 179.25 179.74 1qbk h GLN 622 N -0.58 0.18 -0.44 0.00 5.75 -0.46 -1.52 115.11 118.05 1qbk h GLN 622 Ca -0.00 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1qbk h GLN 622 Cb 0.54 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.05 1qbk h GLN 622 CO 0.01 0.12 0.00 0.00 -2.65 0.00 0.00 178.83 176.31 1qbk n ALA 623 N -2.62 1.76 0.00 3.38 0.00 -0.43 -1.88 120.51 120.72 1qbk n ALA 623 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1qbk n ALA 623 Cb 0.90 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.35 1qbk n ALA 623 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1qbk n LEU 625 N 0.17 0.00 0.03 0.00 4.77 -0.57 -0.66 117.00 120.74 1qbk n LEU 625 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 1qbk n LEU 625 Cb 0.11 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.43 1qbk n LEU 625 CO 0.00 0.00 0.76 -1.13 -1.33 0.00 0.00 177.39 175.69 1qbk h ASN 626 N 0.00 0.44 -0.62 -1.43 -0.73 -1.60 0.20 115.58 111.84 1qbk h ASN 626 Ca 0.00 -0.14 -0.03 0.00 1.87 0.00 0.00 56.30 58.00 1qbk h ASN 626 Cb 0.00 -0.12 -0.03 0.00 0.27 0.00 0.00 38.32 38.44 1qbk h ASN 626 CO 0.00 0.68 0.28 -1.13 -0.37 0.00 0.00 177.43 176.89 1qbk h ASN 627 N 0.40 0.83 0.47 1.15 -1.24 -1.15 -2.40 115.58 113.64 1qbk h ASN 627 Ca 0.06 -0.15 -0.30 0.00 0.71 0.00 0.00 56.30 56.62 1qbk h ASN 627 Cb 0.63 -0.21 -0.00 0.00 0.73 0.00 0.00 38.32 39.46 1qbk h ASN 627 CO 0.04 0.75 -1.48 0.00 -1.29 0.00 0.00 177.43 175.45 1qbk h ALA 628 N 1.12 0.23 -2.09 1.57 0.00 -1.76 -3.41 119.26 114.92 1qbk h ALA 628 Ca 0.21 -1.07 -0.57 0.00 0.00 0.00 0.00 54.91 53.48 1qbk h ALA 628 Cb 0.15 0.23 -0.40 0.00 0.00 0.00 0.00 17.79 17.77 1qbk h ALA 628 CO -0.02 1.10 -0.90 1.04 0.00 0.00 0.00 179.25 180.47 1qbk n GLN 629 N -3.47 1.59 -0.21 0.00 6.02 0.67 -4.92 117.38 117.06 1qbk n GLN 629 Ca -0.15 -3.89 0.30 0.00 -0.01 0.00 0.00 57.00 53.25 1qbk n GLN 629 Cb 1.04 -1.72 0.73 0.00 1.02 0.00 0.00 30.24 31.32 1qbk n GLN 629 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1qbk h PRO 630 N 3.88 0.00 -0.24 -1.09 0.11 -1.63 -0.21 132.00 132.81 1qbk h PRO 630 Ca 0.12 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.20 1qbk h PRO 630 Cb 0.78 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 1qbk h PRO 630 CO 0.63 0.00 0.03 0.38 -0.21 0.00 0.00 178.00 178.83 1qbk h ASP 631 N 0.00 0.39 0.00 -2.05 2.03 -1.91 -3.39 116.42 111.50 1qbk h ASP 631 Ca 0.46 -0.27 0.00 0.00 -0.73 0.00 0.00 57.03 56.49 1qbk h ASP 631 Cb 1.86 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 40.26 1qbk h ASP 631 CO -0.00 0.57 -0.23 1.56 -1.03 0.00 0.00 179.24 180.10 1qbk h GLN 632 N 0.21 0.00 -5.88 4.15 1.08 -1.47 -3.47 115.11 109.73 1qbk h GLN 632 Ca 0.07 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.70 1qbk h GLN 632 Cb 0.34 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.71 1qbk h GLN 632 CO 0.01 0.00 -0.08 0.71 -0.95 0.00 0.00 178.83 178.51 1qbk s TYR 633 N -1.80 3.58 0.94 2.96 1.51 -0.55 -5.08 117.35 118.91 1qbk s TYR 633 Ca -0.07 1.02 -0.13 0.00 -1.01 0.00 0.00 57.07 56.88 1qbk s TYR 633 Cb 0.01 -2.58 0.15 0.00 -0.11 0.00 0.00 41.96 39.43 1qbk s TYR 633 CO 0.10 0.23 1.13 -1.21 -1.11 0.00 0.00 175.55 174.70 1qbk s GLU 634 N 0.33 0.92 -0.19 -0.62 2.02 -1.26 -4.43 118.70 115.47 1qbk s GLU 634 Ca 0.29 0.29 -0.25 0.00 0.02 0.00 0.00 54.97 55.32 1qbk s GLU 634 Cb -0.16 -1.81 -0.01 0.00 0.10 0.00 0.00 34.13 32.24 1qbk s GLU 634 CO 0.13 -2.35 0.82 0.00 0.02 0.00 0.00 175.26 173.88 1qbk s ALA 635 N -3.24 3.55 0.61 5.21 0.00 -1.26 -4.56 121.76 122.07 1qbk s ALA 635 Ca 0.65 -0.02 -0.16 0.00 0.00 0.00 0.00 51.96 52.42 1qbk s ALA 635 Cb -0.15 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 1qbk s ALA 635 CO 0.54 -0.70 1.11 -1.25 0.00 0.00 0.00 175.76 175.45 1qbk s PRO 636 N 2.28 3.05 -0.49 0.00 0.04 -1.26 -4.99 135.00 133.64 1qbk s PRO 636 Ca 0.37 1.42 -0.16 0.00 0.04 0.00 0.00 61.00 62.67 1qbk s PRO 636 Cb -0.16 -1.98 0.08 0.00 0.04 0.00 0.00 34.50 32.48 1qbk s PRO 636 CO 0.11 -1.05 0.45 0.34 0.04 0.00 0.00 177.00 176.88 1qbk s ASP 637 N -2.38 6.16 0.25 6.66 -1.08 -1.26 -4.94 116.67 120.09 1qbk s ASP 637 Ca 0.68 -1.33 0.13 0.00 -0.52 0.00 0.00 52.55 51.51 1qbk s ASP 637 Cb -0.21 -2.20 0.71 0.00 -1.46 0.00 0.00 42.92 39.76 1qbk s ASP 637 CO 0.36 -0.72 1.33 0.29 0.52 0.00 0.00 175.17 176.95 1qbk n LYS 638 N 5.36 0.09 0.24 4.34 4.76 -1.26 -2.35 118.16 129.34 1qbk n LYS 638 Ca -0.12 0.55 0.14 0.00 -2.87 0.00 0.00 58.31 56.01 1qbk n LYS 638 Cb 0.43 -1.95 0.79 0.00 -1.84 0.00 0.00 35.03 32.47 1qbk n LYS 638 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 1qbk h ASP 639 N 0.00 0.00 0.00 4.39 3.45 -1.93 -2.72 116.42 119.61 1qbk h ASP 639 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1qbk h ASP 639 Cb 0.32 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.09 1qbk h ASP 639 CO 0.00 0.00 0.00 0.49 -1.57 0.00 0.00 179.24 178.16 1qbk n PHE 640 N -4.09 0.00 0.00 4.55 3.01 -0.99 -1.20 117.46 118.73 1qbk n PHE 640 Ca -0.01 -0.37 0.00 0.00 1.01 0.00 0.00 57.45 58.08 1qbk n PHE 640 Cb 0.18 -0.23 0.00 0.00 -0.01 0.00 0.00 39.48 39.42 1qbk n PHE 640 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 1qbk n ILE 642 N 0.88 0.00 -0.03 4.37 5.41 -1.03 -1.80 119.36 127.16 1qbk n ILE 642 Ca 0.00 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.63 1qbk n ILE 642 Cb 0.31 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 39.17 1qbk n ILE 642 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 176.55 178.17 1qbk h VAL 643 N 0.00 1.24 -0.33 1.39 3.04 -1.44 0.11 116.25 120.25 1qbk h VAL 643 Ca 0.00 -0.76 -0.02 0.00 -1.01 0.00 0.00 66.70 64.92 1qbk h VAL 643 Cb 0.00 1.51 -0.01 0.00 -2.01 0.00 0.00 31.29 30.78 1qbk h VAL 643 CO 0.00 0.22 0.14 0.00 -1.01 0.00 0.00 177.57 176.92 1qbk h ALA 644 N 0.77 0.43 -0.25 3.17 0.00 -1.60 -0.24 119.26 121.53 1qbk h ALA 644 Ca 0.03 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1qbk h ALA 644 Cb 0.33 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1qbk h ALA 644 CO 0.00 0.02 0.02 -0.07 0.00 0.00 0.00 179.25 179.22 1qbk h LEU 645 N 0.39 -0.06 -1.78 0.00 3.38 -1.78 -0.88 115.31 114.57 1qbk h LEU 645 Ca 0.11 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1qbk h LEU 645 Cb 0.17 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1qbk h LEU 645 CO -0.01 -0.00 0.05 0.44 0.09 0.00 0.00 178.44 179.01 1qbk h ASP 646 N 0.10 0.17 -0.09 -0.43 3.32 -0.22 -0.67 116.42 118.59 1qbk h ASP 646 Ca 0.12 -0.01 -0.24 0.00 0.02 0.00 0.00 57.03 56.92 1qbk h ASP 646 Cb 0.14 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 39.67 1qbk h ASP 646 CO -0.19 0.16 -0.88 0.25 -1.72 0.00 0.00 179.24 176.86 1qbk h LEU 647 N 0.19 0.94 -1.14 1.55 5.85 -0.23 -2.16 115.31 120.31 1qbk h LEU 647 Ca 0.05 -0.67 -0.01 0.00 0.84 0.00 0.00 57.88 58.09 1qbk h LEU 647 Cb 0.05 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 1qbk h LEU 647 CO -0.01 1.47 0.42 -0.07 -0.34 0.00 0.00 178.44 179.92 1qbk h LEU 648 N 0.48 0.90 -1.93 2.25 3.38 -0.55 0.26 115.31 120.10 1qbk h LEU 648 Ca -0.08 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1qbk h LEU 648 Cb 1.52 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 1qbk h LEU 648 CO 0.18 0.71 -0.02 -1.28 0.09 0.00 0.00 178.44 178.12 1qbk h SER 649 N 1.02 0.00 0.48 -0.43 0.87 -1.00 -1.59 113.55 112.91 1qbk h SER 649 Ca 0.26 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.52 1qbk h SER 649 Cb -0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 1qbk h SER 649 CO -0.05 0.02 -1.62 1.23 -0.53 0.00 0.00 176.83 175.89 1qbk h GLY 650 N 1.34 0.14 0.68 5.77 0.00 0.08 -3.14 103.07 107.94 1qbk h GLY 650 Ca -0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 1qbk h GLY 650 CO 0.00 0.30 -0.07 1.41 0.00 0.00 0.00 176.54 178.19 1qbk h LEU 651 N 0.03 -0.16 -1.75 3.11 3.38 -0.61 -2.21 115.31 117.10 1qbk h LEU 651 Ca -0.26 -0.25 0.15 0.00 0.09 0.00 0.00 57.88 57.61 1qbk h LEU 651 Cb 1.99 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 42.74 1qbk h LEU 651 CO 0.11 0.17 0.46 0.00 0.09 0.00 0.00 178.44 179.27 1qbk h ALA 652 N 0.28 2.27 -0.01 1.53 0.00 -1.43 0.33 119.26 122.22 1qbk h ALA 652 Ca -0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1qbk h ALA 652 Cb 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1qbk h ALA 652 CO 0.03 -0.45 -0.17 1.49 0.00 0.00 0.00 179.25 180.16 1qbk h GLU 653 N 0.25 0.14 0.08 0.00 4.81 -1.46 -0.89 114.58 117.51 1qbk h GLU 653 Ca 0.32 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1qbk h GLU 653 Cb 0.91 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.32 1qbk h GLU 653 CO -0.07 0.84 -0.04 0.78 -0.73 0.00 0.00 179.01 179.79 1qbk h GLY 654 N -0.52 -0.11 2.00 1.92 0.00 -0.65 -3.21 103.07 102.50 1qbk h GLY 654 Ca -0.02 0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 1qbk h GLY 654 CO 0.03 -0.04 -0.17 1.41 0.00 0.00 0.00 176.54 177.77 1qbk h LEU 655 N -0.59 0.00 0.00 3.11 3.38 -0.55 -3.20 115.31 117.45 1qbk h LEU 655 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1qbk h LEU 655 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1qbk h LEU 655 CO 0.02 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.33 1qbk n GLY 656 N 0.58 0.00 1.15 0.83 0.00 -0.34 -0.66 105.19 106.74 1qbk n GLY 656 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1qbk n GLY 656 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qbk n GLY 657 N 0.66 2.58 0.04 -0.02 0.00 -1.26 -4.64 105.19 102.55 1qbk n GLY 657 Ca 0.00 -0.58 0.09 0.00 0.00 0.00 0.00 46.02 45.54 1qbk n GLY 657 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qbk n ASN 658 N 2.23 0.22 -0.20 1.61 3.02 0.16 -1.68 115.26 120.61 1qbk n ASN 658 Ca 0.00 0.55 0.15 0.00 -0.03 0.00 0.00 54.58 55.24 1qbk n ASN 658 Cb 0.00 -0.60 0.66 0.00 -0.61 0.00 0.00 39.78 39.24 1qbk n ASN 658 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qbk n ILE 659 N -1.74 0.00 -0.12 2.41 3.06 -1.25 -4.32 119.36 117.40 1qbk n ILE 659 Ca 0.04 -0.11 -0.08 0.00 -2.50 0.00 0.00 62.75 60.10 1qbk n ILE 659 Cb 0.21 0.01 -0.02 0.00 0.54 0.00 0.00 39.64 40.39 1qbk n ILE 659 CO 0.00 0.00 0.00 -0.08 -2.50 0.00 0.00 176.55 173.97 1qbk h GLU 660 N 1.00 -0.24 0.22 9.51 4.22 -1.67 -2.64 114.58 124.97 1qbk h GLU 660 Ca 0.00 0.02 0.01 0.00 0.08 0.00 0.00 59.36 59.47 1qbk h GLU 660 Cb 0.31 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 1qbk h GLU 660 CO 0.00 -0.16 -0.30 0.37 -2.18 0.00 0.00 179.01 176.73 1qbk h GLN 661 N -0.25 -0.56 -0.43 1.92 5.75 -1.83 -2.19 115.11 117.52 1qbk h GLN 661 Ca 0.17 0.04 0.07 0.00 -0.15 0.00 0.00 58.65 58.78 1qbk h GLN 661 Cb 0.54 0.13 -0.09 0.00 1.07 0.00 0.00 27.48 29.12 1qbk h GLN 661 CO -0.54 -0.38 -0.41 1.25 -2.65 0.00 0.00 178.83 176.11 1qbk h LEU 662 N -0.58 -1.35 -0.10 -2.39 5.85 -1.78 -1.91 115.31 113.05 1qbk h LEU 662 Ca 0.01 0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.98 1qbk h LEU 662 Cb 0.57 0.60 -0.06 0.00 0.37 0.00 0.00 40.66 42.15 1qbk h LEU 662 CO -0.11 -0.35 -0.26 0.58 -0.34 0.00 0.00 178.44 177.95 1qbk h VAL 663 N -0.30 0.39 -1.04 1.05 2.07 -1.41 -2.64 116.25 114.38 1qbk h VAL 663 Ca 0.15 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.94 1qbk h VAL 663 Cb 0.57 0.39 -0.11 0.00 -1.52 0.00 0.00 31.29 30.62 1qbk h VAL 663 CO -0.58 0.00 0.64 0.00 0.02 0.00 0.00 177.57 177.65 1qbk h ALA 664 N 0.54 2.03 -0.49 1.67 0.00 -0.69 0.11 119.26 122.43 1qbk h ALA 664 Ca 0.09 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1qbk h ALA 664 Cb 0.48 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1qbk h ALA 664 CO -0.30 -0.50 0.00 0.54 0.00 0.00 0.00 179.25 178.99 1qbk n ARG 665 N -4.79 2.51 -3.72 0.00 1.74 -1.00 -4.91 116.66 106.49 1qbk n ARG 665 Ca 0.27 -1.92 -0.20 0.00 -0.77 0.00 0.00 57.85 55.24 1qbk n ARG 665 Cb 0.86 -1.53 -0.05 0.00 -1.02 0.00 0.00 32.46 30.72 1qbk n ARG 665 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1qbk n SER 666 N 0.88 2.18 -2.30 0.55 3.41 0.38 -5.08 113.62 113.64 1qbk n SER 666 Ca 0.18 -2.48 -0.23 0.00 -0.26 0.00 0.00 58.87 56.08 1qbk n SER 666 Cb 0.53 0.43 0.02 0.00 -0.26 0.00 0.00 64.21 64.93 1qbk n SER 666 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1qbk n ASN 667 N -1.41 4.39 -0.13 4.04 6.94 -1.26 -4.78 115.26 123.05 1qbk n ASN 667 Ca -0.10 -3.55 -0.09 0.00 -0.02 0.00 0.00 54.58 50.82 1qbk n ASN 667 Cb 0.42 -0.41 -0.01 0.00 -2.36 0.00 0.00 39.78 37.42 1qbk n ASN 667 CO 0.00 0.00 0.00 0.16 -1.03 0.00 0.00 177.26 176.39 1qbk h ILE 668 N 2.64 1.21 -0.72 1.53 -0.00 -1.97 -0.62 117.51 119.57 1qbk h ILE 668 Ca 0.28 -0.66 0.17 0.00 -0.00 0.00 0.00 64.86 64.65 1qbk h ILE 668 Cb 1.26 0.94 -0.04 0.00 -0.00 0.00 0.00 36.82 38.97 1qbk h ILE 668 CO 0.74 0.23 0.50 -0.07 -0.00 0.00 0.00 178.15 179.55 1qbk h LEU 669 N 0.46 0.22 0.20 0.16 -0.00 -1.92 0.21 115.31 114.64 1qbk h LEU 669 Ca 0.12 0.02 -0.31 0.00 -0.00 0.00 0.00 57.88 57.71 1qbk h LEU 669 Cb 0.23 -0.03 0.02 0.00 -0.00 0.00 0.00 40.66 40.89 1qbk h LEU 669 CO -0.01 0.11 -1.37 0.74 -0.00 0.00 0.00 178.44 177.91 1qbk h THR 670 N 0.23 1.38 0.00 0.22 2.02 -1.77 -3.27 112.91 111.72 1qbk h THR 670 Ca 0.35 -2.85 0.00 0.00 0.77 0.00 0.00 66.41 64.69 1qbk h THR 670 Cb 1.05 2.99 0.00 0.00 -1.74 0.00 0.00 68.15 70.45 1qbk h THR 670 CO -0.08 0.84 0.00 0.18 0.37 0.00 0.00 175.52 176.84 1qbk n LEU 671 N -3.64 1.76 0.00 2.58 4.32 0.74 -3.00 117.00 119.75 1qbk n LEU 671 Ca -0.13 -0.79 0.00 0.00 -0.02 0.00 0.00 56.01 55.07 1qbk n LEU 671 Cb 1.07 -0.37 0.00 0.00 -1.62 0.00 0.00 43.42 42.50 1qbk n LEU 671 CO 0.58 0.33 0.00 -1.22 -1.22 0.00 0.00 177.39 175.86 1qbk n TYR 673 N 1.83 0.00 -0.20 -1.77 4.02 -1.23 -1.27 117.16 118.53 1qbk n TYR 673 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.80 1qbk n TYR 673 Cb 0.16 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.50 1qbk n TYR 673 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 1qbk h GLN 674 N 0.00 1.02 -1.62 -0.72 1.08 -1.87 -3.14 115.11 109.86 1qbk h GLN 674 Ca 0.00 -0.32 -0.08 0.00 -1.45 0.00 0.00 58.65 56.81 1qbk h GLN 674 Cb 0.00 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 27.30 1qbk h GLN 674 CO 0.00 1.00 0.10 0.00 -0.95 0.00 0.00 178.83 178.98 1qbk n GLN 677 N 0.93 0.00 -2.28 0.00 3.00 -1.19 -3.91 117.38 113.93 1qbk n GLN 677 Ca 0.08 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.69 1qbk n GLN 677 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.78 1qbk n GLN 677 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1qbk s ASP 678 N 0.00 6.35 -1.09 1.08 -1.08 -1.17 -5.11 116.67 115.64 1qbk s ASP 678 Ca 0.00 2.31 -0.10 0.00 -0.52 0.00 0.00 52.55 54.25 1qbk s ASP 678 Cb 0.00 -2.61 -0.07 0.00 -1.46 0.00 0.00 42.92 38.79 1qbk s ASP 678 CO 0.00 -0.80 2.28 2.29 0.52 0.00 0.00 175.17 179.47 1qbk n LYS 679 N -0.23 2.42 -0.02 4.34 2.85 -1.26 -4.70 118.16 121.55 1qbk n LYS 679 Ca 0.06 -1.76 -0.05 0.00 -1.05 0.00 0.00 58.31 55.51 1qbk n LYS 679 Cb 0.47 -2.65 -0.02 0.00 -0.65 0.00 0.00 35.03 32.18 1qbk n LYS 679 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1qbk n PRO 681 N 4.59 0.22 -0.34 -1.58 -0.02 -1.26 -5.11 135.00 131.50 1qbk n PRO 681 Ca 0.53 0.09 0.19 0.00 -2.02 0.00 0.00 63.50 62.30 1qbk n PRO 681 Cb 0.21 -0.89 0.42 0.00 -0.02 0.00 0.00 33.50 33.22 1qbk n PRO 681 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1qbk h GLU 682 N -0.41 0.50 0.04 -0.52 5.08 -1.97 0.76 114.58 118.06 1qbk h GLU 682 Ca -0.05 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1qbk h GLU 682 Cb 0.57 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1qbk h GLU 682 CO -0.03 0.33 -0.02 0.28 -1.00 0.00 0.00 179.01 178.57 1qbk h VAL 683 N 0.52 1.15 -0.56 3.13 2.07 -1.93 -0.63 116.25 119.99 1qbk h VAL 683 Ca 0.65 -0.63 0.08 0.00 0.82 0.00 0.00 66.70 67.62 1qbk h VAL 683 Cb 1.34 1.56 -0.06 0.00 -1.52 0.00 0.00 31.29 32.61 1qbk h VAL 683 CO -0.45 0.16 0.21 -0.09 0.02 0.00 0.00 177.57 177.41 1qbk h ARG 684 N -0.34 0.38 -0.91 1.57 2.43 -0.70 -1.09 114.38 115.72 1qbk h ARG 684 Ca -0.01 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.20 1qbk h ARG 684 Cb 0.31 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.71 1qbk h ARG 684 CO 0.01 0.25 0.59 0.37 -1.51 0.00 0.00 179.97 179.68 1qbk h GLN 685 N 0.39 1.03 -0.01 0.20 4.15 0.65 -2.58 115.11 118.95 1qbk h GLN 685 Ca 0.27 -0.06 -0.22 0.00 0.77 0.00 0.00 58.65 59.42 1qbk h GLN 685 Cb 0.31 -0.23 -0.00 0.00 0.21 0.00 0.00 27.48 27.77 1qbk h GLN 685 CO -0.27 0.68 -0.91 0.77 -1.93 0.00 0.00 178.83 177.17 1qbk h SER 686 N 1.06 0.48 -0.54 -0.69 0.02 -0.05 -3.05 113.55 110.77 1qbk h SER 686 Ca 0.38 -0.38 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 1qbk h SER 686 Cb 0.15 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1qbk h SER 686 CO -0.14 1.17 0.19 0.77 -1.14 0.00 0.00 176.83 177.68 1qbk h SER 687 N 0.21 0.78 -0.91 3.07 4.64 -0.88 -2.37 113.55 118.08 1qbk h SER 687 Ca -0.07 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1qbk h SER 687 Cb 1.54 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 63.38 1qbk h SER 687 CO 0.15 0.76 0.58 -0.26 -0.87 0.00 0.00 176.83 177.19 1qbk h PHE 688 N 0.75 1.18 -0.31 4.77 0.05 -1.51 0.24 116.94 122.11 1qbk h PHE 688 Ca 0.18 0.01 0.04 0.00 3.82 0.00 0.00 57.97 62.02 1qbk h PHE 688 Cb 0.25 -0.39 -0.02 0.00 2.00 0.00 0.00 35.95 37.79 1qbk h PHE 688 CO 0.01 0.76 0.21 0.00 -0.18 0.00 0.00 178.31 179.12 1qbk h ALA 689 N 1.32 1.98 0.00 2.45 0.00 -1.36 -1.28 119.26 122.37 1qbk h ALA 689 Ca 0.33 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1qbk h ALA 689 Cb -0.09 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1qbk h ALA 689 CO -0.07 -0.03 -0.00 1.25 0.00 0.00 0.00 179.25 180.40 1qbk h LEU 690 N 0.24 -0.00 -1.03 0.00 5.85 -0.31 -2.75 115.31 117.31 1qbk h LEU 690 Ca 0.13 -0.82 0.20 0.00 0.84 0.00 0.00 57.88 58.23 1qbk h LEU 690 Cb 0.22 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.14 1qbk h LEU 690 CO -0.03 0.83 0.61 0.25 -0.34 0.00 0.00 178.44 179.76 1qbk h LEU 691 N -0.83 0.75 0.59 2.25 5.85 -0.34 0.41 115.31 123.99 1qbk h LEU 691 Ca -0.00 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1qbk h LEU 691 Cb 0.82 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.83 1qbk h LEU 691 CO 0.00 0.24 -0.28 1.23 -0.34 0.00 0.00 178.44 179.29 1qbk h GLY 692 N 0.72 -0.82 0.98 3.75 0.00 -1.27 0.10 103.07 106.53 1qbk h GLY 692 Ca 0.59 0.30 -0.00 0.00 0.00 0.00 0.00 47.33 48.22 1qbk h GLY 692 CO -0.39 -0.30 0.19 -0.55 0.00 0.00 0.00 176.54 175.49 1qbk h ASP 693 N -0.89 0.39 -0.90 0.19 3.32 -0.97 -2.01 116.42 115.54 1qbk h ASP 693 Ca -0.08 -0.05 0.11 0.00 0.02 0.00 0.00 57.03 57.02 1qbk h ASP 693 Cb 0.64 -0.10 -0.08 0.00 0.22 0.00 0.00 39.33 40.01 1qbk h ASP 693 CO 0.13 0.32 0.54 -0.07 -1.72 0.00 0.00 179.24 178.45 1qbk h LEU 694 N 0.41 0.78 -2.29 1.55 3.38 -0.20 0.18 115.31 119.13 1qbk h LEU 694 Ca 0.11 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.14 1qbk h LEU 694 Cb 0.01 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1qbk h LEU 694 CO -0.02 0.43 0.02 0.74 0.09 0.00 0.00 178.44 179.70 1qbk h THR 695 N 0.88 0.69 0.08 0.22 2.02 -0.09 0.16 112.91 116.86 1qbk h THR 695 Ca 0.44 0.00 -0.28 0.00 0.77 0.00 0.00 66.41 67.34 1qbk h THR 695 Cb 0.43 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 1qbk h THR 695 CO -0.26 0.00 -1.43 0.11 0.37 0.00 0.00 175.52 174.31 1qbk h LYS 696 N 0.00 0.18 0.00 6.66 1.57 -0.11 -3.33 116.57 121.54 1qbk h LYS 696 Ca 0.01 -0.30 -0.04 0.00 -1.87 0.00 0.00 60.65 58.44 1qbk h LYS 696 Cb 0.05 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1qbk h LYS 696 CO -0.00 1.03 -0.30 0.00 -0.57 0.00 0.00 179.45 179.61 1qbk h ALA 697 N 0.65 0.05 -2.01 3.86 0.00 -0.22 -3.44 119.26 118.15 1qbk h ALA 697 Ca -0.20 -0.51 -0.55 0.00 0.00 0.00 0.00 54.91 53.65 1qbk h ALA 697 Cb 1.97 0.20 -0.39 0.00 0.00 0.00 0.00 17.79 19.56 1qbk h ALA 697 CO 0.15 0.19 -1.10 0.00 0.00 0.00 0.00 179.25 178.49 1qbk h PHE 699 N 3.83 0.61 -1.07 0.00 3.57 -1.68 -0.33 116.94 121.87 1qbk h PHE 699 Ca 0.08 0.02 0.40 0.00 3.53 0.00 0.00 57.97 62.00 1qbk h PHE 699 Cb 0.88 -0.19 -0.16 0.00 2.79 0.00 0.00 35.95 39.27 1qbk h PHE 699 CO 0.41 0.25 0.62 -0.56 -2.23 0.00 0.00 178.31 176.79 1qbk h GLN 700 N 0.53 0.10 0.00 1.11 3.07 -1.92 0.71 115.11 118.72 1qbk h GLN 700 Ca 0.37 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 59.11 1qbk h GLN 700 Cb 0.71 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.25 1qbk h GLN 700 CO -0.14 0.06 -0.54 0.72 0.09 0.00 0.00 178.83 179.03 1qbk n HIS 701 N -5.09 0.52 -0.11 0.06 8.25 -0.14 -4.25 115.22 114.46 1qbk n HIS 701 Ca 0.36 0.15 -0.21 0.00 -0.26 0.00 0.00 57.72 57.76 1qbk n HIS 701 Cb 1.25 -0.64 -0.08 0.00 1.12 0.00 0.00 29.99 31.64 1qbk n HIS 701 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1qbk n VAL 702 N -2.05 1.51 -0.14 1.59 0.31 0.20 -4.60 118.33 115.16 1qbk n VAL 702 Ca 0.04 -0.13 0.02 0.00 -0.01 0.00 0.00 64.34 64.26 1qbk n VAL 702 Cb 0.43 -2.06 0.05 0.00 -0.91 0.00 0.00 33.84 31.34 1qbk n VAL 702 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1qbk n LYS 703 N -4.38 -0.04 0.17 5.55 4.81 0.14 0.15 118.16 124.55 1qbk n LYS 703 Ca -0.36 0.59 0.18 0.00 -0.87 0.00 0.00 58.31 57.86 1qbk n LYS 703 Cb 0.70 -0.89 0.80 0.00 0.02 0.00 0.00 35.03 35.66 1qbk n LYS 703 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1qbk h PRO 704 N 0.00 0.00 -0.02 1.64 0.13 -1.81 -1.00 132.00 130.93 1qbk h PRO 704 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1qbk h PRO 704 Cb 0.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.40 1qbk h PRO 704 CO -0.39 0.00 -0.09 0.00 -0.23 0.00 0.00 178.00 177.29 1qbk h ILE 706 N 3.79 0.78 0.00 0.00 1.08 -1.18 0.23 117.51 122.21 1qbk h ILE 706 Ca 0.00 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 64.26 1qbk h ILE 706 Cb 0.85 0.12 0.00 0.00 -3.07 0.00 0.00 36.82 34.72 1qbk h ILE 706 CO 0.00 0.11 0.00 0.00 -0.69 0.00 0.00 178.15 177.57 1qbk h ALA 707 N 1.61 1.00 0.00 1.87 0.00 -1.79 -3.14 119.26 118.82 1qbk h ALA 707 Ca 0.46 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 55.19 1qbk h ALA 707 Cb 0.85 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1qbk h ALA 707 CO -0.21 0.00 -1.22 -0.25 0.00 0.00 0.00 179.25 177.57 1qbk n ASP 708 N -2.84 1.87 -1.06 0.00 8.00 0.62 -4.59 116.55 118.55 1qbk n ASP 708 Ca -0.00 0.46 0.00 0.00 0.71 0.00 0.00 54.79 55.96 1qbk n ASP 708 Cb 0.21 -0.89 0.00 0.00 -0.02 0.00 0.00 41.12 40.42 1qbk n ASP 708 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1qbk n PHE 709 N -4.46 0.00 0.00 1.24 3.72 -0.13 -3.61 117.46 114.22 1qbk n PHE 709 Ca -0.27 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.13 1qbk n PHE 709 Cb 0.58 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 1qbk n PHE 709 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1qbk n PRO 711 N 0.99 0.00 0.00 -1.08 -0.04 -1.26 -1.70 135.00 131.91 1qbk n PRO 711 Ca 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 1qbk n PRO 711 Cb 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.40 1qbk n PRO 711 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1qbk h ILE 712 N 0.00 1.03 -0.99 0.52 2.04 -1.94 -1.45 117.51 116.72 1qbk h ILE 712 Ca 0.00 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.83 1qbk h ILE 712 Cb 0.00 0.92 -0.06 0.00 -0.74 0.00 0.00 36.82 36.94 1qbk h ILE 712 CO 0.00 0.03 0.65 -0.07 0.00 0.00 0.00 178.15 178.76 1qbk h LEU 713 N 0.11 1.09 -0.49 1.44 3.38 -1.67 -1.07 115.31 118.10 1qbk h LEU 713 Ca 0.03 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.04 1qbk h LEU 713 Cb -0.00 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.44 1qbk h LEU 713 CO -0.01 0.75 0.20 1.23 0.09 0.00 0.00 178.44 180.71 1qbk h GLY 714 N 1.26 0.66 2.00 0.83 0.00 -1.68 0.31 103.07 106.45 1qbk h GLY 714 Ca 0.39 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 1qbk h GLY 714 CO -0.11 0.05 -0.03 -0.84 0.00 0.00 0.00 176.54 175.60 1qbk h THR 715 N 0.40 0.20 -0.56 4.70 2.02 -0.16 -2.61 112.91 116.90 1qbk h THR 715 Ca 0.23 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1qbk h THR 715 Cb 0.20 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1qbk h THR 715 CO -0.20 0.03 0.00 0.59 0.37 0.00 0.00 175.52 176.31 1qbk n ASN 716 N -3.30 3.33 -1.58 4.18 3.02 0.07 -4.10 115.26 116.89 1qbk n ASN 716 Ca -0.02 -1.98 -0.11 0.00 -0.03 0.00 0.00 54.58 52.45 1qbk n ASN 716 Cb 0.17 -0.37 0.06 0.00 -0.61 0.00 0.00 39.78 39.03 1qbk n ASN 716 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1qbk n LEU 717 N 1.34 4.95 -4.55 3.41 4.77 -0.98 -3.79 117.00 122.15 1qbk n LEU 717 Ca 0.21 -2.55 -0.42 0.00 -0.03 0.00 0.00 56.01 53.22 1qbk n LEU 717 Cb 0.54 -0.75 -0.06 0.00 -2.33 0.00 0.00 43.42 40.83 1qbk n LEU 717 CO 0.15 0.84 0.47 0.21 -1.33 0.00 0.00 177.39 177.73 1qbk s ASN 718 N 0.19 6.42 0.00 -1.43 3.04 -1.26 -4.92 114.94 116.97 1qbk s ASN 718 Ca 0.23 -0.02 0.02 0.00 0.04 0.00 0.00 52.86 53.13 1qbk s ASN 718 Cb 0.19 -2.35 0.09 0.00 -1.54 0.00 0.00 41.25 37.64 1qbk s ASN 718 CO 0.03 -0.76 0.38 -0.81 -3.04 0.00 0.00 177.10 172.90 1qbk n PRO 719 N 6.37 0.25 0.09 0.43 -0.04 -1.26 -2.77 135.00 138.07 1qbk n PRO 719 Ca 0.00 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.56 1qbk n PRO 719 Cb 0.48 -1.09 0.42 0.00 -0.04 0.00 0.00 33.50 33.27 1qbk n PRO 719 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1qbk n GLU 720 N -0.59 0.12 -3.12 0.54 2.13 -1.26 -3.48 120.64 114.98 1qbk n GLU 720 Ca 0.01 0.40 -0.18 0.00 0.66 0.00 0.00 57.16 58.05 1qbk n GLU 720 Cb 0.01 -1.75 -0.05 0.00 0.27 0.00 0.00 31.44 29.91 1qbk n GLU 720 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1qbk n PHE 721 N -1.98 -2.02 -0.23 4.31 3.01 -1.11 -5.04 117.46 114.39 1qbk n PHE 721 Ca 0.02 -2.58 0.02 0.00 1.01 0.00 0.00 57.45 55.92 1qbk n PHE 721 Cb 0.18 0.70 0.10 0.00 -0.01 0.00 0.00 39.48 40.45 1qbk n PHE 721 CO 0.00 0.00 0.00 -0.84 1.01 0.00 0.00 176.76 176.93 1qbk h ILE 722 N 4.43 0.35 -0.99 4.37 3.07 -1.78 -0.31 117.51 126.65 1qbk h ILE 722 Ca 0.16 -0.01 0.17 0.00 1.55 0.00 0.00 64.86 66.72 1qbk h ILE 722 Cb 0.98 0.30 -0.09 0.00 -0.27 0.00 0.00 36.82 37.74 1qbk h ILE 722 CO 0.25 0.01 0.61 0.28 -1.05 0.00 0.00 178.15 178.26 1qbk h SER 723 N 0.04 0.77 -0.02 2.16 0.02 -1.95 1.51 113.55 116.09 1qbk h SER 723 Ca 0.35 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.37 1qbk h SER 723 Cb 0.56 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 1qbk h SER 723 CO -0.67 0.33 -0.01 0.58 -1.14 0.00 0.00 176.83 175.92 1qbk h VAL 724 N 0.78 1.32 -0.59 2.27 2.07 -1.45 -2.70 116.25 117.96 1qbk h VAL 724 Ca 0.54 -0.96 0.10 0.00 0.82 0.00 0.00 66.70 67.19 1qbk h VAL 724 Cb 0.81 1.92 -0.07 0.00 -1.52 0.00 0.00 31.29 32.43 1qbk h VAL 724 CO -0.31 0.26 0.19 0.00 0.02 0.00 0.00 177.57 177.72 1qbk h ASN 726 N 0.35 -0.13 0.73 0.00 -1.24 0.21 0.21 115.58 115.70 1qbk h ASN 726 Ca 0.30 0.07 -0.16 0.00 0.71 0.00 0.00 56.30 57.22 1qbk h ASN 726 Cb 0.40 0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.55 1qbk h ASN 726 CO -0.33 -0.03 -0.77 0.78 -1.29 0.00 0.00 177.43 175.79 1qbk h ASN 727 N 0.08 0.04 -0.27 1.15 2.35 -1.08 -2.38 115.58 115.47 1qbk h ASN 727 Ca 0.15 -0.03 -0.13 0.00 -0.55 0.00 0.00 56.30 55.74 1qbk h ASN 727 Cb 0.20 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1qbk h ASN 727 CO -0.25 0.79 -0.31 0.00 -1.65 0.00 0.00 177.43 176.01 1qbk h ALA 728 N 1.21 0.78 0.64 -0.83 0.00 -0.56 -1.07 119.26 119.43 1qbk h ALA 728 Ca -0.01 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 1qbk h ALA 728 Cb 1.36 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 19.02 1qbk h ALA 728 CO 0.10 0.65 -0.31 1.15 0.00 0.00 0.00 179.25 180.85 1qbk h THR 729 N 0.67 0.37 -0.54 0.00 2.02 -0.44 -1.62 112.91 113.36 1qbk h THR 729 Ca 0.07 -0.01 0.10 0.00 0.77 0.00 0.00 66.41 67.34 1qbk h THR 729 Cb 0.84 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 1qbk h THR 729 CO 0.07 0.00 0.37 -0.25 0.37 0.00 0.00 175.52 176.08 1qbk h TRP 730 N -0.87 0.35 -0.26 3.16 7.01 -1.29 -0.10 115.95 123.95 1qbk h TRP 730 Ca -0.09 0.01 -0.14 0.00 2.11 0.00 0.00 58.89 60.78 1qbk h TRP 730 Cb 0.66 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.60 1qbk h TRP 730 CO -0.03 0.17 -0.42 0.00 -2.79 0.00 0.00 178.44 175.37 1qbk h ALA 731 N 1.72 0.79 -0.30 2.65 0.00 -0.89 -2.63 119.26 120.60 1qbk h ALA 731 Ca 0.25 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1qbk h ALA 731 Cb 0.55 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1qbk h ALA 731 CO -0.06 0.65 -0.15 0.82 0.00 0.00 0.00 179.25 180.51 1qbk h ILE 732 N 0.51 1.24 -0.71 0.00 2.04 -0.05 -2.21 117.51 118.33 1qbk h ILE 732 Ca 0.04 -1.09 -0.06 0.00 1.00 0.00 0.00 64.86 64.74 1qbk h ILE 732 Cb 0.94 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 38.17 1qbk h ILE 732 CO 0.08 0.36 0.21 1.23 0.00 0.00 0.00 178.15 180.03 1qbk h GLY 733 N 0.95 1.21 2.00 5.37 0.00 -1.11 -1.47 103.07 110.02 1qbk h GLY 733 Ca 0.08 -0.73 -0.10 0.00 0.00 0.00 0.00 47.33 46.59 1qbk h GLY 733 CO 0.03 0.68 -0.46 -2.09 0.00 0.00 0.00 176.54 174.70 1qbk h GLU 734 N 1.06 0.00 0.04 4.80 4.57 -1.28 -3.13 114.58 120.64 1qbk h GLU 734 Ca 0.23 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 58.13 1qbk h GLU 734 Cb 0.33 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.94 1qbk h GLU 734 CO -0.00 0.46 -1.11 0.82 -1.18 0.00 0.00 179.01 178.00 1qbk h ILE 735 N 0.00 1.28 0.00 2.32 2.04 -1.19 -2.99 117.51 118.97 1qbk h ILE 735 Ca -0.00 -2.31 -0.06 0.00 1.00 0.00 0.00 64.86 63.48 1qbk h ILE 735 Cb 1.19 2.49 -0.01 0.00 -0.74 0.00 0.00 36.82 39.75 1qbk h ILE 735 CO 0.06 0.71 -0.29 0.77 0.00 0.00 0.00 178.15 179.40 1qbk h SER 736 N 0.35 0.00 0.43 1.72 4.64 -1.29 -2.62 113.55 116.78 1qbk h SER 736 Ca -0.15 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.97 1qbk h SER 736 Cb 1.77 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.85 1qbk h SER 736 CO 0.22 0.29 -0.83 0.40 -0.87 0.00 0.00 176.83 176.03 1qbk h ILE 737 N 0.00 1.44 0.00 0.95 1.08 -1.57 -2.90 117.51 116.51 1qbk h ILE 737 Ca -0.00 -2.40 0.00 0.00 -0.39 0.00 0.00 64.86 62.06 1qbk h ILE 737 Cb 0.53 2.33 0.00 0.00 -3.07 0.00 0.00 36.82 36.60 1qbk h ILE 737 CO 0.04 0.71 0.00 0.00 -0.69 0.00 0.00 178.15 178.21 1qbk n GLN 738 N -3.74 0.61 0.00 2.37 1.13 -0.99 -5.07 117.38 111.69 1qbk n GLN 738 Ca -0.04 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.02 1qbk n GLN 738 Cb 0.77 -1.22 0.00 0.00 0.11 0.00 0.00 30.24 29.90 1qbk n GLN 738 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1qbk n GLY 740 N 0.58 1.79 0.34 1.08 0.00 -1.10 -5.11 105.19 102.77 1qbk n GLY 740 Ca 0.00 -0.06 0.18 0.00 0.00 0.00 0.00 46.02 46.14 1qbk n GLY 740 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1qbk h ILE 741 N 0.00 0.11 0.00 -0.61 3.07 -1.89 -3.38 117.51 114.80 1qbk h ILE 741 Ca 0.00 0.00 -0.07 0.00 1.55 0.00 0.00 64.86 66.34 1qbk h ILE 741 Cb 0.00 0.79 -0.01 0.00 -0.27 0.00 0.00 36.82 37.33 1qbk h ILE 741 CO 0.00 0.00 0.60 1.21 -1.05 0.00 0.00 178.15 178.91 1qbk n GLU 742 N -3.15 0.56 0.00 0.16 2.13 -1.26 -4.60 120.64 114.48 1qbk n GLU 742 Ca -0.01 -0.38 0.00 0.00 0.66 0.00 0.00 57.16 57.43 1qbk n GLU 742 Cb 0.30 -1.74 0.00 0.00 0.27 0.00 0.00 31.44 30.26 1qbk n GLU 742 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1qbk n GLN 744 N 3.28 0.00 0.28 5.31 0.00 -1.26 -4.86 117.38 120.13 1qbk n GLN 744 Ca 0.12 0.00 0.16 0.00 -0.00 0.00 0.00 57.00 57.28 1qbk n GLN 744 Cb 0.18 0.00 0.83 0.00 0.00 0.00 0.00 30.24 31.25 1qbk n GLN 744 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.06 175.71 1qbk h PRO 745 N 0.00 0.00 -0.02 3.69 0.11 -1.98 -2.97 132.00 130.83 1qbk h PRO 745 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1qbk h PRO 745 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1qbk h PRO 745 CO 0.00 0.07 0.00 0.66 -0.21 0.00 0.00 178.00 178.52 1qbk n TYR 746 N -3.46 0.00 -0.07 0.65 4.02 -1.26 -4.46 117.16 112.58 1qbk n TYR 746 Ca -0.02 -0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.78 1qbk n TYR 746 Cb 0.21 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.50 1qbk n TYR 746 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 1qbk h ILE 747 N 3.21 1.07 0.00 -0.72 2.04 -1.97 -3.31 117.51 117.84 1qbk h ILE 747 Ca 0.00 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1qbk h ILE 747 Cb 0.68 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1qbk h ILE 747 CO 0.00 0.07 0.00 -2.65 0.00 0.00 0.00 178.15 175.57 1qbk n PRO 748 N -4.90 0.00 0.00 2.37 -0.02 -1.26 0.31 135.00 131.50 1qbk n PRO 748 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 1qbk n PRO 748 Cb 0.03 -1.23 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 1qbk n PRO 748 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1qbk n VAL 750 N 1.40 0.00 -0.25 -1.45 0.31 -1.25 -4.40 118.33 112.70 1qbk n VAL 750 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.39 1qbk n VAL 750 Cb 0.00 0.00 0.18 0.00 -0.91 0.00 0.00 33.84 33.11 1qbk n VAL 750 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1qbk h LEU 751 N 0.00 -0.09 0.48 7.52 5.85 -0.42 -1.81 115.31 126.84 1qbk h LEU 751 Ca 0.00 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1qbk h LEU 751 Cb 0.00 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1qbk h LEU 751 CO 0.00 -0.09 -0.30 0.45 -0.34 0.00 0.00 178.44 178.17 1qbk h HIS 752 N 0.21 -0.78 -0.74 1.25 3.86 -1.79 -1.56 115.15 115.60 1qbk h HIS 752 Ca 0.42 -0.01 0.10 0.00 -1.16 0.00 0.00 60.37 59.72 1qbk h HIS 752 Cb 0.73 0.28 -0.05 0.00 1.06 0.00 0.00 27.41 29.43 1qbk h HIS 752 CO -0.31 -0.46 0.48 1.96 0.86 0.00 0.00 177.93 180.47 1qbk h GLN 753 N -0.74 0.58 0.28 2.45 4.20 -1.75 -1.05 115.11 119.08 1qbk h GLN 753 Ca -0.05 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1qbk h GLN 753 Cb 0.61 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1qbk h GLN 753 CO 0.05 0.39 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.39 1qbk h LEU 754 N 0.60 -0.32 -2.47 1.46 4.07 -0.96 -0.94 115.31 116.75 1qbk h LEU 754 Ca 0.34 -0.17 0.01 0.00 0.08 0.00 0.00 57.88 58.15 1qbk h LEU 754 Cb 0.53 0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.35 1qbk h LEU 754 CO -0.12 0.01 0.06 0.58 -1.08 0.00 0.00 178.44 177.89 1qbk h VAL 755 N -0.66 0.41 -0.03 1.22 2.07 -0.84 -0.71 116.25 117.71 1qbk h VAL 755 Ca -0.04 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 1qbk h VAL 755 Cb 0.47 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1qbk h VAL 755 CO 0.06 0.00 -0.14 -0.08 0.02 0.00 0.00 177.57 177.43 1qbk h GLU 756 N 0.00 0.15 -0.14 1.57 4.81 -0.86 -3.25 114.58 116.86 1qbk h GLU 756 Ca 0.02 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1qbk h GLU 756 Cb 0.15 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1qbk h GLU 756 CO -0.00 0.78 0.04 0.82 -0.73 0.00 0.00 179.01 179.92 1qbk h ILE 757 N -0.44 1.18 -0.90 2.32 2.04 0.10 -2.41 117.51 119.40 1qbk h ILE 757 Ca -0.01 -0.55 0.26 0.00 1.00 0.00 0.00 64.86 65.56 1qbk h ILE 757 Cb 0.80 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 38.14 1qbk h ILE 757 CO 0.03 0.16 0.68 -0.29 0.00 0.00 0.00 178.15 178.74 1qbk h ILE 758 N 0.04 0.47 -0.47 -0.67 6.09 -1.30 0.52 117.51 122.20 1qbk h ILE 758 Ca 0.04 0.00 -0.15 0.00 -1.37 0.00 0.00 64.86 63.38 1qbk h ILE 758 Cb 0.22 0.51 -0.09 0.00 0.47 0.00 0.00 36.82 37.93 1qbk h ILE 758 CO -0.00 0.00 0.09 0.59 -3.07 0.00 0.00 178.15 175.76 1qbk n ASN 759 N -4.13 3.68 -4.61 2.19 3.02 -0.94 -4.86 115.26 109.61 1qbk n ASN 759 Ca 0.19 -3.36 -0.39 0.00 -0.03 0.00 0.00 54.58 50.99 1qbk n ASN 759 Cb 1.00 -0.65 -0.08 0.00 -0.61 0.00 0.00 39.78 39.44 1qbk n ASN 759 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1qbk s ARG 760 N -3.04 4.05 0.60 3.52 3.52 0.18 -5.04 118.95 122.74 1qbk s ARG 760 Ca 0.47 0.19 -0.20 0.00 -0.13 0.00 0.00 55.73 56.07 1qbk s ARG 760 Cb 0.40 -3.65 -0.03 0.00 -1.56 0.00 0.00 34.95 30.11 1qbk s ARG 760 CO 0.07 -0.30 1.33 -1.25 -0.81 0.00 0.00 175.30 174.34 1qbk s PRO 761 N 2.15 2.81 -1.68 5.12 0.04 -1.26 -3.03 135.00 139.15 1qbk s PRO 761 Ca 0.18 2.15 -0.02 0.00 0.04 0.00 0.00 61.00 63.36 1qbk s PRO 761 Cb -0.16 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1qbk s PRO 761 CO 0.09 -1.42 0.20 -1.71 0.04 0.00 0.00 177.00 174.21 1qbk n ASN 762 N -1.51 -5.92 -4.78 6.66 5.15 -1.26 -4.98 115.26 108.62 1qbk n ASN 762 Ca 0.13 -0.11 -0.37 0.00 -0.60 0.00 0.00 54.58 53.64 1qbk n ASN 762 Cb 0.47 -4.87 -0.06 0.00 -0.53 0.00 0.00 39.78 34.78 1qbk n ASN 762 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1qbk s THR 763 N -3.07 5.24 0.34 -0.44 2.01 -1.17 -5.05 115.64 113.49 1qbk s THR 763 Ca 0.10 0.63 -0.28 0.00 0.31 0.00 0.00 61.69 62.45 1qbk s THR 763 Cb -0.04 -3.64 -0.12 0.00 0.01 0.00 0.00 72.50 68.70 1qbk s THR 763 CO 0.12 0.47 1.32 -2.65 -0.69 0.00 0.00 174.62 173.20 1qbk n PRO 764 N 2.83 2.18 -0.19 4.92 -0.02 -1.26 -4.82 135.00 138.64 1qbk n PRO 764 Ca -0.13 0.76 -0.07 0.00 -2.02 0.00 0.00 63.50 62.04 1qbk n PRO 764 Cb 0.52 -2.37 -0.06 0.00 -0.02 0.00 0.00 33.50 31.58 1qbk n PRO 764 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1qbk h LYS 765 N 2.76 -0.08 -0.90 -0.52 6.56 -1.99 -1.58 116.57 120.82 1qbk h LYS 765 Ca -0.46 0.01 0.25 0.00 -1.06 0.00 0.00 60.65 59.38 1qbk h LYS 765 Cb 1.28 0.02 -0.14 0.00 -0.57 0.00 0.00 32.23 32.81 1qbk h LYS 765 CO 0.64 -0.05 0.27 1.15 -2.06 0.00 0.00 179.45 179.40 1qbk h THR 766 N -0.08 0.30 -0.57 -0.16 2.02 -1.97 0.42 112.91 112.87 1qbk h THR 766 Ca 0.08 -0.07 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 1qbk h THR 766 Cb 0.28 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.73 1qbk h THR 766 CO -0.49 0.04 0.13 0.25 0.37 0.00 0.00 175.52 175.83 1qbk h LEU 767 N 0.21 0.83 -0.79 2.58 5.85 -1.67 -1.65 115.31 120.67 1qbk h LEU 767 Ca 0.58 -0.16 -0.13 0.00 0.84 0.00 0.00 57.88 59.02 1qbk h LEU 767 Cb 1.19 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 1qbk h LEU 767 CO -0.66 0.81 -0.50 -0.07 -0.34 0.00 0.00 178.44 177.68 1qbk h LEU 768 N 0.85 0.28 -0.16 2.25 3.38 0.14 -1.26 115.31 120.79 1qbk h LEU 768 Ca 0.18 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1qbk h LEU 768 Cb 0.31 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1qbk h LEU 768 CO -0.00 0.73 -0.12 -0.33 0.09 0.00 0.00 178.44 178.81 1qbk h GLU 769 N 0.20 0.36 -0.26 1.13 5.08 -0.33 -0.62 114.58 120.15 1qbk h GLU 769 Ca 0.01 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 1qbk h GLU 769 Cb 0.96 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 1qbk h GLU 769 CO 0.08 0.71 0.05 -0.91 -1.00 0.00 0.00 179.01 177.94 1qbk h ASN 770 N 0.01 0.40 -0.30 1.42 2.35 -1.31 0.06 115.58 118.21 1qbk h ASN 770 Ca 0.03 -0.24 0.06 0.00 -0.55 0.00 0.00 56.30 55.59 1qbk h ASN 770 Cb 0.63 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.84 1qbk h ASN 770 CO 0.03 0.54 -0.07 0.74 -1.65 0.00 0.00 177.43 177.02 1qbk h THR 771 N 0.24 0.71 0.19 2.81 2.02 -1.19 0.45 112.91 118.14 1qbk h THR 771 Ca 0.08 -0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.27 1qbk h THR 771 Cb 0.30 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 1qbk h THR 771 CO 0.00 0.00 -0.45 0.00 0.37 0.00 0.00 175.52 175.44 1qbk h ALA 772 N 1.29 -0.85 -0.50 6.16 0.00 -0.83 0.17 119.26 124.71 1qbk h ALA 772 Ca 0.14 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.05 1qbk h ALA 772 Cb 0.21 0.73 -0.09 0.00 0.00 0.00 0.00 17.79 18.65 1qbk h ALA 772 CO -0.30 -1.04 -0.09 0.82 0.00 0.00 0.00 179.25 178.64 1qbk h ILE 773 N -0.73 0.53 0.02 0.00 2.04 0.09 -0.55 117.51 118.91 1qbk h ILE 773 Ca 0.00 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 1qbk h ILE 773 Cb 0.73 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1qbk h ILE 773 CO -0.21 0.01 -0.01 0.74 0.00 0.00 0.00 178.15 178.67 1qbk h THR 774 N 0.03 1.02 -0.91 -0.27 2.02 0.24 -0.84 112.91 114.20 1qbk h THR 774 Ca 0.24 -0.12 0.16 0.00 0.77 0.00 0.00 66.41 67.47 1qbk h THR 774 Cb 0.37 1.11 -0.10 0.00 -1.74 0.00 0.00 68.15 67.79 1qbk h THR 774 CO -0.49 0.03 0.50 0.40 0.37 0.00 0.00 175.52 176.34 1qbk h ILE 775 N -0.08 0.71 0.04 3.11 2.04 -0.43 0.90 117.51 123.81 1qbk h ILE 775 Ca -0.00 -0.23 0.03 0.00 1.00 0.00 0.00 64.86 65.65 1qbk h ILE 775 Cb 0.07 -0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.09 1qbk h ILE 775 CO 0.00 0.12 -0.25 1.23 0.00 0.00 0.00 178.15 179.25 1qbk h GLY 776 N 0.67 -0.42 0.68 5.37 0.00 -0.29 -1.11 103.07 107.97 1qbk h GLY 776 Ca 0.51 0.30 0.02 0.00 0.00 0.00 0.00 47.33 48.16 1qbk h GLY 776 CO -0.38 -0.21 -0.16 3.21 0.00 0.00 0.00 176.54 179.00 1qbk h ARG 777 N -0.42 -0.28 -0.62 4.80 3.08 0.47 0.19 114.38 121.60 1qbk h ARG 777 Ca 0.05 0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.24 1qbk h ARG 777 Cb 0.48 0.06 -0.09 0.00 0.08 0.00 0.00 29.97 30.50 1qbk h ARG 777 CO -0.20 -0.19 0.13 -0.07 -1.07 0.00 0.00 179.97 178.57 1qbk h LEU 778 N -0.29 -0.01 -1.67 3.04 3.38 -0.85 0.75 115.31 119.66 1qbk h LEU 778 Ca 0.04 0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1qbk h LEU 778 Cb 0.33 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1qbk h LEU 778 CO -0.12 -0.00 -0.19 1.23 0.09 0.00 0.00 178.44 179.45 1qbk h GLY 779 N 0.25 0.00 2.00 0.83 0.00 -0.47 0.12 103.07 105.81 1qbk h GLY 779 Ca 0.33 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.61 1qbk h GLY 779 CO -0.42 0.00 -0.21 -1.82 0.00 0.00 0.00 176.54 174.09 1qbk h TYR 780 N 0.00 0.00 0.07 5.60 3.20 0.35 -2.54 116.97 123.65 1qbk h TYR 780 Ca -0.00 0.00 -0.36 0.00 3.14 0.00 0.00 58.73 61.50 1qbk h TYR 780 Cb 0.41 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.64 1qbk h TYR 780 CO 0.00 0.21 -2.13 0.28 -1.64 0.00 0.00 178.16 174.88 1qbk n VAL 781 N -3.32 1.66 -3.62 1.81 0.31 -0.32 -4.65 118.33 110.20 1qbk n VAL 781 Ca 0.01 -0.66 -0.27 0.00 -0.01 0.00 0.00 64.34 63.40 1qbk n VAL 781 Cb 0.45 -1.48 -0.10 0.00 -0.91 0.00 0.00 33.84 31.80 1qbk n VAL 781 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1qbk h PRO 783 N 5.07 0.03 -0.78 0.00 0.11 -1.69 -2.29 132.00 132.45 1qbk h PRO 783 Ca 0.18 -0.00 0.13 0.00 0.11 0.00 0.00 66.00 66.42 1qbk h PRO 783 Cb 0.78 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.83 1qbk h PRO 783 CO 0.64 0.02 0.51 1.96 -0.21 0.00 0.00 178.00 180.92 1qbk h GLN 784 N 0.03 0.51 -0.02 1.05 1.08 -1.93 0.42 115.11 116.25 1qbk h GLN 784 Ca 0.07 -0.03 -0.14 0.00 -1.45 0.00 0.00 58.65 57.10 1qbk h GLN 784 Cb 0.10 -0.12 0.01 0.00 -0.05 0.00 0.00 27.48 27.42 1qbk h GLN 784 CO -0.14 0.34 -0.55 0.93 -0.95 0.00 0.00 178.83 178.47 1qbk h GLU 785 N 0.53 0.41 0.02 1.46 4.39 -1.82 -3.38 114.58 116.18 1qbk h GLU 785 Ca 0.38 -0.41 -0.31 0.00 0.34 0.00 0.00 59.36 59.36 1qbk h GLU 785 Cb 0.73 0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 29.44 1qbk h GLU 785 CO -0.14 1.07 -1.84 0.28 -1.16 0.00 0.00 179.01 177.22 1qbk n VAL 786 N -4.25 1.60 -0.26 3.13 0.31 -0.91 -4.52 118.33 113.43 1qbk n VAL 786 Ca -0.10 -0.78 0.07 0.00 -0.01 0.00 0.00 64.34 63.52 1qbk n VAL 786 Cb 0.64 -1.06 0.19 0.00 -0.91 0.00 0.00 33.84 32.70 1qbk n VAL 786 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1qbk h ALA 787 N 0.87 0.92 0.00 3.52 0.00 -0.33 -3.32 119.26 120.91 1qbk h ALA 787 Ca -0.34 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1qbk h ALA 787 Cb 2.04 0.35 0.00 0.00 0.00 0.00 0.00 17.79 20.18 1qbk h ALA 787 CO 0.07 -0.41 0.08 -0.35 0.00 0.00 0.00 179.25 178.65 1qbk n PRO 788 N -5.27 0.00 0.00 0.00 -0.04 -1.26 -4.75 135.00 123.68 1qbk n PRO 788 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1qbk n PRO 788 Cb 0.51 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 1qbk n PRO 788 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1qbk n LEU 790 N 1.97 0.00 0.00 1.53 7.94 -1.25 -4.94 117.00 122.25 1qbk n LEU 790 Ca 0.00 0.00 0.08 0.00 -1.11 0.00 0.00 56.01 54.98 1qbk n LEU 790 Cb 0.00 0.00 0.41 0.00 0.53 0.00 0.00 43.42 44.36 1qbk n LEU 790 CO 0.04 0.00 0.74 0.00 -1.11 0.00 0.00 177.39 177.06 1qbk n GLN 791 N 0.00 0.22 0.01 1.96 0.00 -1.21 -1.05 117.38 117.30 1qbk n GLN 791 Ca 0.00 0.14 0.12 0.00 0.00 0.00 0.00 57.00 57.26 1qbk n GLN 791 Cb 0.00 -1.50 0.20 0.00 0.00 0.00 0.00 30.24 28.94 1qbk n GLN 791 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1qbk n GLN 792 N -1.30 0.06 0.00 2.61 6.02 -1.26 -4.51 117.38 119.00 1qbk n GLN 792 Ca 0.07 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 1qbk n GLN 792 Cb 0.14 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 29.87 1qbk n GLN 792 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 177.06 178.02 1qbk n PHE 793 N -1.62 0.00 -0.33 1.08 1.16 -1.06 -4.89 117.46 111.80 1qbk n PHE 793 Ca 0.05 0.00 0.16 0.00 -1.87 0.00 0.00 57.45 55.79 1qbk n PHE 793 Cb 0.36 0.00 0.40 0.00 -1.61 0.00 0.00 39.48 38.62 1qbk n PHE 793 CO 0.00 0.00 0.00 0.97 -1.87 0.00 0.00 176.76 175.86 1qbk h ILE 794 N 0.00 0.66 0.65 1.97 6.09 -1.32 0.15 117.51 125.71 1qbk h ILE 794 Ca 0.00 -0.21 -0.03 0.00 -1.37 0.00 0.00 64.86 63.25 1qbk h ILE 794 Cb 0.00 -0.01 0.01 0.00 0.47 0.00 0.00 36.82 37.28 1qbk h ILE 794 CO 0.00 0.11 -0.31 0.03 -3.07 0.00 0.00 178.15 174.91 1qbk h ARG 795 N 0.62 -0.84 0.00 2.19 3.08 -1.87 -2.06 114.38 115.50 1qbk h ARG 795 Ca 0.56 0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.65 1qbk h ARG 795 Cb 1.08 0.19 -0.00 0.00 0.08 0.00 0.00 29.97 31.32 1qbk h ARG 795 CO -0.33 -0.52 -0.11 -1.35 -1.07 0.00 0.00 179.97 176.58 1qbk h PRO 796 N -1.15 0.00 0.14 0.04 0.11 -1.84 -1.62 132.00 127.69 1qbk h PRO 796 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1qbk h PRO 796 Cb 0.70 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.80 1qbk h PRO 796 CO 0.15 0.11 -0.13 2.35 -0.21 0.00 0.00 178.00 180.27 1qbk h TRP 797 N 0.00 -0.32 0.63 0.65 7.01 -0.86 -0.16 115.95 122.89 1qbk h TRP 797 Ca -0.00 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.97 1qbk h TRP 797 Cb 0.23 0.12 0.01 0.00 -2.10 0.00 0.00 29.16 27.42 1qbk h TRP 797 CO 0.00 -0.19 -0.30 0.00 -2.79 0.00 0.00 178.44 175.15 1qbk n THR 799 N -5.34 -0.40 0.00 0.00 -1.04 -0.64 -0.94 114.28 105.92 1qbk n THR 799 Ca -0.11 1.93 -0.01 0.00 -2.04 0.00 0.00 64.05 63.82 1qbk n THR 799 Cb 0.34 -3.11 -0.01 0.00 -1.82 0.00 0.00 70.33 65.74 1qbk n THR 799 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1qbk h SER 800 N 0.00 -0.06 0.34 8.00 0.87 -0.92 -3.39 113.55 118.39 1qbk h SER 800 Ca 0.78 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.34 1qbk h SER 800 Cb 2.03 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 64.01 1qbk h SER 800 CO -0.74 0.21 0.00 -0.07 -0.53 0.00 0.00 176.83 175.70 1qbk h LEU 801 N -0.59 0.00 -2.42 2.23 4.07 -0.57 -2.84 115.31 115.19 1qbk h LEU 801 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1qbk h LEU 801 Cb 0.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.80 1qbk h LEU 801 CO 0.01 0.00 0.00 0.08 -1.08 0.00 0.00 178.44 177.45 1qbk h ARG 802 N 0.00 0.00 -0.47 1.13 0.11 -1.23 -2.49 114.38 111.42 1qbk h ARG 802 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1qbk h ARG 802 Cb 0.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.25 1qbk h ARG 802 CO 0.00 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.16 1qbk n ASN 803 N -2.98 4.68 -4.63 0.08 3.02 -1.07 -4.81 115.26 109.55 1qbk n ASN 803 Ca -0.02 -2.77 -0.33 0.00 -0.03 0.00 0.00 54.58 51.44 1qbk n ASN 803 Cb 0.13 -0.58 -0.10 0.00 -0.61 0.00 0.00 39.78 38.62 1qbk n ASN 803 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1qbk s ILE 804 N -2.42 3.92 0.48 2.41 -1.16 -0.94 -4.72 121.20 118.76 1qbk s ILE 804 Ca 0.47 -0.59 -0.24 0.00 -0.51 0.00 0.00 60.65 59.79 1qbk s ILE 804 Cb 0.35 -2.69 -0.08 0.00 0.61 0.00 0.00 42.46 40.65 1qbk s ILE 804 CO 0.16 0.46 1.27 0.54 -2.81 0.00 0.00 174.94 174.56 1qbk n ARG 805 N 1.71 1.78 -1.94 3.50 1.74 -1.04 -4.95 116.66 117.46 1qbk n ARG 805 Ca -0.16 0.64 -0.38 0.00 -0.77 0.00 0.00 57.85 57.18 1qbk n ARG 805 Cb 0.53 -2.43 0.03 0.00 -1.02 0.00 0.00 32.46 29.56 1qbk n ARG 805 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1qbk s ASP 806 N -0.71 5.54 0.00 0.55 1.11 -1.26 -4.69 116.67 117.21 1qbk s ASP 806 Ca 0.65 2.61 0.00 0.00 0.18 0.00 0.00 52.55 55.99 1qbk s ASP 806 Cb -0.47 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 40.90 1qbk s ASP 806 CO 0.54 -1.38 0.00 -0.46 1.18 0.00 0.00 175.17 175.06 1qbk n ASN 807 N -0.89 0.00 0.03 0.27 0.23 -1.26 -4.96 115.26 108.68 1qbk n ASN 807 Ca 0.10 0.00 -0.12 0.00 -0.53 0.00 0.00 54.58 54.03 1qbk n ASN 807 Cb 0.46 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.11 1qbk n ASN 807 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1qbk h GLU 808 N 0.00 -0.46 -0.15 -3.83 4.57 -1.99 -0.41 114.58 112.31 1qbk h GLU 808 Ca 0.00 0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.25 1qbk h GLU 808 Cb 0.00 0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.65 1qbk h GLU 808 CO 0.00 -0.31 -0.15 0.93 -1.18 0.00 0.00 179.01 178.31 1qbk h GLU 809 N -0.48 -0.16 -0.60 1.92 5.08 -1.95 -0.56 114.58 117.82 1qbk h GLU 809 Ca 0.07 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1qbk h GLU 809 Cb 0.59 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 1qbk h GLU 809 CO -0.33 -0.11 0.40 -0.22 -1.00 0.00 0.00 179.01 177.75 1qbk h LYS 810 N -0.17 0.74 -0.11 2.33 3.64 -1.78 -2.06 116.57 119.16 1qbk h LYS 810 Ca 0.10 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1qbk h LYS 810 Cb 0.32 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1qbk h LYS 810 CO -0.25 0.49 0.02 0.22 -2.27 0.00 0.00 179.45 177.66 1qbk h ASP 811 N 0.76 0.16 -0.48 4.20 1.82 0.06 -1.72 116.42 121.22 1qbk h ASP 811 Ca 0.23 -0.24 -0.02 0.00 -0.39 0.00 0.00 57.03 56.61 1qbk h ASP 811 Cb -0.01 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 39.94 1qbk h ASP 811 CO -0.06 0.36 0.21 0.77 -1.61 0.00 0.00 179.24 178.91 1qbk h SER 812 N -0.04 0.65 -0.67 2.28 4.64 -0.83 -1.44 113.55 118.13 1qbk h SER 812 Ca 0.03 -0.15 0.09 0.00 -0.47 0.00 0.00 61.79 61.30 1qbk h SER 812 Cb 0.26 -0.17 -0.07 0.00 -0.31 0.00 0.00 62.40 62.11 1qbk h SER 812 CO 0.00 0.61 0.31 0.00 -0.87 0.00 0.00 176.83 176.89 1qbk h ALA 813 N 1.06 0.91 0.00 5.18 0.00 -1.29 -0.15 119.26 124.96 1qbk h ALA 813 Ca 0.16 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 1qbk h ALA 813 Cb 0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1qbk h ALA 813 CO -0.02 -0.10 -0.58 0.74 0.00 0.00 0.00 179.25 179.30 1qbk h PHE 814 N 0.54 0.00 -0.71 0.00 -1.00 -0.96 -2.25 116.94 112.55 1qbk h PHE 814 Ca 0.33 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.10 1qbk h PHE 814 Cb 0.37 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.90 1qbk h PHE 814 CO -0.13 0.58 0.40 0.00 -1.61 0.00 0.00 178.31 177.55 1qbk h ARG 815 N 0.00 0.98 -0.35 1.51 3.08 0.01 -0.89 114.38 118.72 1qbk h ARG 815 Ca -0.01 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 1qbk h ARG 815 Cb 1.09 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.93 1qbk h ARG 815 CO 0.07 0.72 0.14 0.78 -1.07 0.00 0.00 179.97 180.61 1qbk h GLY 816 N 0.97 0.56 0.90 0.04 0.00 -0.86 -0.27 103.07 104.41 1qbk h GLY 816 Ca 0.25 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 1qbk h GLY 816 CO -0.04 0.29 0.08 -2.22 0.00 0.00 0.00 176.54 174.64 1qbk h ILE 817 N 0.41 1.22 -0.50 2.60 1.08 -1.24 -2.81 117.51 118.26 1qbk h ILE 817 Ca 0.11 -0.72 0.05 0.00 -0.39 0.00 0.00 64.86 63.91 1qbk h ILE 817 Cb 0.19 1.09 -0.05 0.00 -3.07 0.00 0.00 36.82 34.99 1qbk h ILE 817 CO -0.01 0.24 0.25 0.00 -0.69 0.00 0.00 178.15 177.94 1qbk n THR 819 N -4.90 0.00 0.00 0.00 -1.04 -0.12 -2.47 114.28 105.75 1qbk n THR 819 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1qbk n THR 819 Cb 0.14 -0.08 0.00 0.00 -1.82 0.00 0.00 70.33 68.57 1qbk n THR 819 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1qbk n ILE 821 N 0.31 0.00 -0.12 12.58 5.41 0.12 -2.89 119.36 134.77 1qbk n ILE 821 Ca 0.00 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.63 1qbk n ILE 821 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 38.91 1qbk n ILE 821 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1qbk h SER 822 N 0.00 0.82 0.20 4.38 4.64 -1.73 0.28 113.55 122.14 1qbk h SER 822 Ca 0.00 -0.42 -0.04 0.00 -0.47 0.00 0.00 61.79 60.87 1qbk h SER 822 Cb 0.00 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 61.86 1qbk h SER 822 CO 0.00 1.06 -0.18 0.58 -0.87 0.00 0.00 176.83 177.42 1qbk h VAL 823 N 0.59 1.08 -1.58 0.95 2.07 -1.82 -3.35 116.25 114.17 1qbk h VAL 823 Ca 0.08 -0.62 -0.45 0.00 0.82 0.00 0.00 66.70 66.53 1qbk h VAL 823 Cb 0.77 1.34 -0.31 0.00 -1.52 0.00 0.00 31.29 31.56 1qbk h VAL 823 CO 0.06 0.17 -0.89 -3.20 0.02 0.00 0.00 177.57 173.74 1qbk n ASN 824 N -4.26 -1.01 -0.32 0.57 4.05 -1.07 -4.99 115.26 108.23 1qbk n ASN 824 Ca -0.02 -2.76 -0.03 0.00 0.45 0.00 0.00 54.58 52.22 1qbk n ASN 824 Cb 0.24 0.14 0.11 0.00 1.23 0.00 0.00 39.78 41.50 1qbk n ASN 824 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1qbk h PRO 825 N 4.52 1.23 0.00 1.20 0.11 -0.60 -1.76 132.00 136.69 1qbk h PRO 825 Ca 0.08 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1qbk h PRO 825 Cb 0.94 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1qbk h PRO 825 CO 0.36 0.88 0.00 0.77 -0.21 0.00 0.00 178.00 179.81 1qbk h SER 826 N 1.24 0.00 -0.07 -2.05 0.02 -1.94 -0.66 113.55 110.08 1qbk h SER 826 Ca 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1qbk h SER 826 Cb -0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1qbk h SER 826 CO -0.05 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.25 1qbk n GLY 827 N -1.27 -0.24 0.00 -3.77 0.00 -0.66 -4.18 105.19 95.06 1qbk n GLY 827 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1qbk n GLY 827 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1qbk n VAL 828 N -0.14 0.00 -0.34 1.61 0.31 -0.32 -3.32 118.33 116.12 1qbk n VAL 828 Ca 0.17 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.51 1qbk n VAL 828 Cb 0.25 -0.08 0.07 0.00 -0.91 0.00 0.00 33.84 33.17 1qbk n VAL 828 CO 0.00 0.00 0.00 -0.29 -1.32 0.00 0.00 176.83 175.22 1qbk h ILE 829 N 0.00 0.05 -0.97 2.52 6.09 -1.54 0.37 117.51 124.03 1qbk h ILE 829 Ca 0.00 0.00 0.21 0.00 -1.37 0.00 0.00 64.86 63.70 1qbk h ILE 829 Cb 0.11 0.05 -0.12 0.00 0.47 0.00 0.00 36.82 37.33 1qbk h ILE 829 CO 0.00 0.00 0.55 1.56 -3.07 0.00 0.00 178.15 177.19 1qbk h GLN 830 N -0.02 0.59 -1.12 2.19 1.08 -1.88 -0.31 115.11 115.63 1qbk h GLN 830 Ca 0.37 -0.04 -0.64 0.00 -1.45 0.00 0.00 58.65 56.90 1qbk h GLN 830 Cb 0.62 -0.13 -0.35 0.00 -0.05 0.00 0.00 27.48 27.57 1qbk h GLN 830 CO -0.94 0.39 0.12 -0.25 -0.95 0.00 0.00 178.83 177.20 1qbk n ASP 831 N -4.88 6.35 0.27 1.46 8.00 0.12 -4.73 116.55 123.15 1qbk n ASP 831 Ca 0.24 -3.77 0.16 0.00 0.71 0.00 0.00 54.79 52.13 1qbk n ASP 831 Cb 0.65 -0.71 0.70 0.00 -0.02 0.00 0.00 41.12 41.74 1qbk n ASP 831 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 1qbk h PHE 832 N 2.28 0.00 0.00 1.24 -5.15 -0.22 -2.66 116.94 112.43 1qbk h PHE 832 Ca 0.48 0.00 -0.14 0.00 -0.20 0.00 0.00 57.97 58.11 1qbk h PHE 832 Cb 0.96 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.11 1qbk h PHE 832 CO 1.12 0.05 -0.67 0.82 -2.00 0.00 0.00 178.31 177.63 1qbk h ILE 833 N 0.00 1.29 -0.29 0.88 2.04 -1.85 -2.69 117.51 116.89 1qbk h ILE 833 Ca -0.00 -2.45 -0.05 0.00 1.00 0.00 0.00 64.86 63.36 1qbk h ILE 833 Cb 0.49 2.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.95 1qbk h ILE 833 CO 0.01 0.66 0.00 -0.26 0.00 0.00 0.00 178.15 178.56 1qbk h PHE 834 N 0.00 0.55 -0.27 1.37 -1.00 -1.86 -2.92 116.94 112.81 1qbk h PHE 834 Ca -0.01 -0.09 -0.02 0.00 2.81 0.00 0.00 57.97 60.66 1qbk h PHE 834 Cb 1.34 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 40.74 1qbk h PHE 834 CO 0.00 0.65 0.08 0.35 -1.61 0.00 0.00 178.31 177.78 1qbk h PHE 835 N 0.30 0.44 -0.73 -0.55 3.57 -1.56 -2.40 116.94 116.01 1qbk h PHE 835 Ca 0.08 -0.05 0.16 0.00 3.53 0.00 0.00 57.97 61.69 1qbk h PHE 835 Cb 0.42 -0.13 -0.11 0.00 2.79 0.00 0.00 35.95 38.93 1qbk h PHE 835 CO 0.03 0.48 0.20 0.00 -2.23 0.00 0.00 178.31 176.80 1qbk h ASP 837 N 0.30 0.46 -0.71 0.00 3.58 -1.38 -0.02 116.42 118.65 1qbk h ASP 837 Ca 0.41 -0.16 0.05 0.00 0.42 0.00 0.00 57.03 57.75 1qbk h ASP 837 Cb 0.69 -0.12 -0.05 0.00 1.72 0.00 0.00 39.33 41.57 1qbk h ASP 837 CO -0.49 0.50 0.42 0.00 -2.88 0.00 0.00 179.24 176.80 1qbk h ALA 838 N 0.98 0.96 -0.49 -0.78 0.00 -0.27 -2.06 119.26 117.61 1qbk h ALA 838 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1qbk h ALA 838 Cb 0.18 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1qbk h ALA 838 CO -0.01 0.14 0.17 0.28 0.00 0.00 0.00 179.25 179.83 1qbk h VAL 839 N 0.79 1.22 0.00 0.00 2.07 -0.01 -2.49 116.25 117.83 1qbk h VAL 839 Ca 0.31 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1qbk h VAL 839 Cb 0.14 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1qbk h VAL 839 CO -0.16 0.26 0.00 0.00 0.02 0.00 0.00 177.57 177.69 1qbk n ALA 840 N -2.35 2.11 1.30 1.67 0.00 -0.05 -1.79 120.51 121.40 1qbk n ALA 840 Ca 0.01 -0.10 0.14 0.00 0.00 0.00 0.00 53.44 53.49 1qbk n ALA 840 Cb 0.17 -1.25 0.51 0.00 0.00 0.00 0.00 19.45 18.88 1qbk n ALA 840 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1qbk n SER 841 N -0.98 0.62 -4.71 0.00 3.41 -0.93 -4.78 113.62 106.26 1qbk n SER 841 Ca 0.12 -0.59 -0.41 0.00 -0.26 0.00 0.00 58.87 57.73 1qbk n SER 841 Cb 0.05 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 63.96 1qbk n SER 841 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1qbk s TRP 842 N -2.55 3.60 -0.09 7.33 0.52 -0.74 -4.91 118.94 122.10 1qbk s TRP 842 Ca 0.25 1.45 -0.05 0.00 0.02 0.00 0.00 56.10 57.78 1qbk s TRP 842 Cb 0.20 -2.96 -0.02 0.00 -1.15 0.00 0.00 33.47 29.53 1qbk s TRP 842 CO 0.51 0.02 -0.09 -0.84 0.02 0.00 0.00 176.95 176.56 1qbk h ILE 843 N 4.81 0.00 -3.23 2.03 3.07 -1.89 -3.46 117.51 118.83 1qbk h ILE 843 Ca -0.40 -0.71 -0.54 0.00 1.55 0.00 0.00 64.86 64.75 1qbk h ILE 843 Cb 1.20 0.00 -0.40 0.00 -0.27 0.00 0.00 36.82 37.35 1qbk h ILE 843 CO 0.76 0.00 -0.76 0.54 -1.05 0.00 0.00 178.15 177.64 1qbk s ASN 844 N -5.02 3.36 0.26 2.16 6.03 -1.26 -5.07 114.94 115.39 1qbk s ASN 844 Ca -0.08 -1.12 0.06 0.00 -1.03 0.00 0.00 52.86 50.69 1qbk s ASN 844 Cb 0.01 -0.70 -0.03 0.00 -3.03 0.00 0.00 41.25 37.49 1qbk s ASN 844 CO 0.11 -0.34 0.27 -2.16 -2.03 0.00 0.00 177.10 172.95 1qbk s PRO 845 N 1.77 3.08 0.31 3.55 0.04 -1.26 -5.05 135.00 137.44 1qbk s PRO 845 Ca 0.02 -0.98 -0.29 0.00 0.04 0.00 0.00 61.00 59.79 1qbk s PRO 845 Cb -0.17 -2.67 -0.10 0.00 0.04 0.00 0.00 34.50 31.59 1qbk s PRO 845 CO -0.15 0.36 1.35 0.15 0.04 0.00 0.00 177.00 178.76 1qbk s LYS 846 N -3.92 4.32 0.44 4.56 1.02 -1.26 -4.74 119.74 120.15 1qbk s LYS 846 Ca 0.35 2.26 0.24 0.00 0.02 0.00 0.00 55.97 58.84 1qbk s LYS 846 Cb -0.08 -3.07 1.25 0.00 -0.52 0.00 0.00 37.83 35.40 1qbk s LYS 846 CO 0.27 -0.27 1.76 -0.44 -0.92 0.00 0.00 175.35 175.75 1qbk h ASP 847 N 3.78 0.32 0.22 2.83 3.32 -1.97 0.11 116.42 125.02 1qbk h ASP 847 Ca -0.48 0.07 0.01 0.00 0.02 0.00 0.00 57.03 56.64 1qbk h ASP 847 Cb 1.22 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.76 1qbk h ASP 847 CO 0.68 0.04 -0.50 -0.78 -1.72 0.00 0.00 179.24 176.96 1qbk h ASP 848 N 0.27 -1.46 0.24 6.45 1.82 -2.00 -1.88 116.42 119.85 1qbk h ASP 848 Ca 0.61 0.15 -0.12 0.00 -0.39 0.00 0.00 57.03 57.28 1qbk h ASP 848 Cb 1.80 0.53 -0.01 0.00 0.68 0.00 0.00 39.33 42.33 1qbk h ASP 848 CO -0.24 -0.57 -0.47 0.25 -1.61 0.00 0.00 179.24 176.59 1qbk h LEU 849 N -0.80 0.30 -2.21 2.28 5.85 -1.41 -2.90 115.31 116.42 1qbk h LEU 849 Ca -0.01 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1qbk h LEU 849 Cb 0.77 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.72 1qbk h LEU 849 CO -0.22 0.73 0.01 -0.09 -0.34 0.00 0.00 178.44 178.53 1qbk h ARG 850 N 0.23 0.00 -1.75 1.25 1.12 -0.58 -2.38 114.38 112.27 1qbk h ARG 850 Ca 0.01 0.00 -0.21 0.00 -1.11 0.00 0.00 59.98 58.67 1qbk h ARG 850 Cb 0.92 0.00 -0.09 0.00 -0.01 0.00 0.00 29.97 30.79 1qbk h ARG 850 CO 0.08 0.00 0.23 -0.25 -3.11 0.00 0.00 179.97 176.91 1qbk n ASP 851 N -4.23 6.01 0.00 -3.80 9.92 -0.73 -2.55 116.55 121.17 1qbk n ASP 851 Ca -0.03 -2.81 0.00 0.00 -0.53 0.00 0.00 54.79 51.42 1qbk n ASP 851 Cb 0.09 -1.11 0.00 0.00 -0.64 0.00 0.00 41.12 39.46 1qbk n ASP 851 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1qbk n PHE 853 N 0.90 0.00 -0.28 1.24 3.72 -0.90 -3.06 117.46 119.08 1qbk n PHE 853 Ca 0.21 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.70 1qbk n PHE 853 Cb 0.57 0.00 0.22 0.00 -0.94 0.00 0.00 39.48 39.33 1qbk n PHE 853 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1qbk h LYS 855 N 0.14 -0.36 -0.92 0.00 1.57 -1.85 -0.98 116.57 114.17 1qbk h LYS 855 Ca 0.48 0.02 0.09 0.00 -1.87 0.00 0.00 60.65 59.38 1qbk h LYS 855 Cb 0.91 0.08 -0.07 0.00 0.08 0.00 0.00 32.23 33.23 1qbk h LYS 855 CO -0.68 -0.13 0.57 0.82 -0.57 0.00 0.00 179.45 179.46 1qbk h ILE 856 N -0.54 0.97 0.27 1.86 2.04 -1.64 0.24 117.51 120.71 1qbk h ILE 856 Ca -0.04 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1qbk h ILE 856 Cb 0.40 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 1qbk h ILE 856 CO 0.06 0.18 -0.13 -0.07 0.00 0.00 0.00 178.15 178.19 1qbk h LEU 857 N 0.96 -0.30 -2.30 1.44 3.38 -0.86 -0.75 115.31 116.87 1qbk h LEU 857 Ca 0.43 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.33 1qbk h LEU 857 Cb 0.33 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1qbk h LEU 857 CO -0.23 -0.09 0.09 0.45 0.09 0.00 0.00 178.44 178.76 1qbk h HIS 858 N -0.51 0.00 -0.14 1.13 3.86 -0.61 0.30 115.15 119.18 1qbk h HIS 858 Ca -0.04 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 1qbk h HIS 858 Cb 0.38 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.85 1qbk h HIS 858 CO -0.02 0.00 0.04 0.78 0.86 0.00 0.00 177.93 179.60 1qbk h GLY 859 N 0.00 0.23 0.96 2.45 0.00 0.48 -1.05 103.07 106.13 1qbk h GLY 859 Ca 0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 1qbk h GLY 859 CO -0.00 0.12 0.20 0.74 0.00 0.00 0.00 176.54 177.60 1qbk h PHE 860 N 0.04 0.61 -0.71 5.60 0.04 0.89 -1.98 116.94 121.44 1qbk h PHE 860 Ca 0.04 -0.03 0.13 0.00 2.80 0.00 0.00 57.97 60.91 1qbk h PHE 860 Cb 0.22 -0.19 -0.09 0.00 2.20 0.00 0.00 35.95 38.09 1qbk h PHE 860 CO -0.00 0.51 0.27 1.57 -0.60 0.00 0.00 178.31 180.06 1qbk h LYS 861 N 0.54 0.41 0.00 1.51 5.09 -0.71 0.50 116.57 123.91 1qbk h LYS 861 Ca 0.14 -0.02 -0.00 0.00 0.09 0.00 0.00 60.65 60.85 1qbk h LYS 861 Cb 0.13 -0.09 -0.00 0.00 0.10 0.00 0.00 32.23 32.37 1qbk h LYS 861 CO -0.02 0.27 -0.02 -0.91 -2.09 0.00 0.00 179.45 176.68 1qbk h ASN 862 N 0.43 0.00 0.71 7.07 2.35 -0.47 0.89 115.58 126.55 1qbk h ASN 862 Ca 0.38 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.88 1qbk h ASN 862 Cb 0.54 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.87 1qbk h ASN 862 CO -0.38 0.02 -1.42 -0.61 -1.65 0.00 0.00 177.43 173.40 1qbk h GLN 863 N 0.00 0.00 0.00 0.81 5.75 0.49 -3.37 115.11 118.79 1qbk h GLN 863 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1qbk h GLN 863 Cb 0.11 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.66 1qbk h GLN 863 CO 0.00 0.64 -0.77 1.33 -2.65 0.00 0.00 178.83 177.39 1qbk n VAL 864 N -3.14 0.00 0.00 2.39 0.24 -0.80 -5.10 118.33 111.92 1qbk n VAL 864 Ca -0.10 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 1qbk n VAL 864 Cb 0.99 0.86 0.00 0.00 -1.47 0.00 0.00 33.84 34.22 1qbk n VAL 864 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qbk n GLY 865 N 1.38 1.34 0.31 7.63 0.00 0.28 -4.29 105.19 111.84 1qbk n GLY 865 Ca 0.02 -1.72 0.08 0.00 0.00 0.00 0.00 46.02 44.40 1qbk n GLY 865 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1qbk h ASP 866 N 0.00 0.55 0.00 1.61 3.32 -1.95 -1.33 116.42 118.62 1qbk h ASP 866 Ca 0.00 0.09 -0.23 0.00 0.02 0.00 0.00 57.03 56.92 1qbk h ASP 866 Cb 0.00 0.01 0.01 0.00 0.22 0.00 0.00 39.33 39.56 1qbk h ASP 866 CO 0.00 0.22 -0.84 -0.08 -1.72 0.00 0.00 179.24 176.83 1qbk h GLU 867 N 0.63 0.67 -0.41 3.56 4.57 -1.95 -0.33 114.58 121.32 1qbk h GLU 867 Ca 0.47 -0.59 -0.05 0.00 -1.18 0.00 0.00 59.36 58.01 1qbk h GLU 867 Cb 0.68 0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.39 1qbk h GLU 867 CO -0.37 1.20 0.07 -0.91 -1.18 0.00 0.00 179.01 177.83 1qbk h ASN 868 N 0.44 0.65 -0.18 1.04 2.35 -1.68 -0.89 115.58 117.30 1qbk h ASN 868 Ca -0.07 -0.25 -0.09 0.00 -0.55 0.00 0.00 56.30 55.34 1qbk h ASN 868 Cb 1.46 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 39.65 1qbk h ASN 868 CO 0.16 0.74 -0.17 -0.25 -1.65 0.00 0.00 177.43 176.26 1qbk h TRP 869 N 0.53 0.66 0.39 1.19 2.91 -1.25 0.22 115.95 120.61 1qbk h TRP 869 Ca 0.13 -0.13 -0.02 0.00 1.13 0.00 0.00 58.89 60.00 1qbk h TRP 869 Cb 0.36 -0.17 0.00 0.00 -0.51 0.00 0.00 29.16 28.85 1qbk h TRP 869 CO 0.02 0.74 -0.19 0.00 -1.03 0.00 0.00 178.44 177.99 1qbk h ARG 870 N 0.54 -0.51 -0.51 2.65 2.47 -0.73 -1.04 114.38 117.26 1qbk h ARG 870 Ca 0.09 0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.83 1qbk h ARG 870 Cb 0.61 0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 29.02 1qbk h ARG 870 CO 0.04 -0.30 0.27 -0.09 0.56 0.00 0.00 179.97 180.45 1qbk h ARG 871 N -0.59 0.71 0.67 0.04 2.43 -1.02 -2.31 114.38 114.31 1qbk h ARG 871 Ca -0.05 -0.09 -0.03 0.00 -0.81 0.00 0.00 59.98 58.99 1qbk h ARG 871 Cb 0.44 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1qbk h ARG 871 CO 0.09 0.57 -0.33 0.35 -1.51 0.00 0.00 179.97 179.14 1qbk h PHE 872 N 0.67 -0.86 -1.00 2.20 3.04 -0.53 -2.45 116.94 118.01 1qbk h PHE 872 Ca 0.18 -0.02 0.27 0.00 3.98 0.00 0.00 57.97 62.38 1qbk h PHE 872 Cb 0.07 0.29 -0.06 0.00 2.56 0.00 0.00 35.95 38.82 1qbk h PHE 872 CO -0.01 -0.53 0.69 1.03 -2.02 0.00 0.00 178.31 177.47 1qbk h SER 873 N -0.91 0.17 1.31 0.41 0.87 -1.10 -0.83 113.55 113.46 1qbk h SER 873 Ca -0.09 0.03 -0.11 0.00 -1.23 0.00 0.00 61.79 60.39 1qbk h SER 873 Cb 0.71 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.65 1qbk h SER 873 CO 0.14 0.05 -0.51 -0.78 -0.53 0.00 0.00 176.83 175.20 1qbk h ASP 874 N 0.16 0.00 -0.38 6.23 1.82 -0.93 -3.37 116.42 119.95 1qbk h ASP 874 Ca 0.50 0.00 -0.68 0.00 -0.39 0.00 0.00 57.03 56.46 1qbk h ASP 874 Cb 1.70 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.69 1qbk h ASP 874 CO -0.10 0.51 3.27 0.00 -1.61 0.00 0.00 179.24 181.31 1qbk n GLN 875 N -3.30 3.94 -4.16 0.28 6.02 -0.32 -4.86 117.38 114.98 1qbk n GLN 875 Ca 0.01 -2.57 -0.18 0.00 -0.01 0.00 0.00 57.00 54.25 1qbk n GLN 875 Cb 0.70 -2.72 -0.12 0.00 1.02 0.00 0.00 30.24 29.12 1qbk n GLN 875 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1qbk s PHE 876 N 1.04 1.15 0.12 1.08 0.40 -1.26 -5.06 117.98 115.46 1qbk s PHE 876 Ca 0.65 -0.46 -0.31 0.00 -0.60 0.00 0.00 56.93 56.20 1qbk s PHE 876 Cb 0.19 -0.65 -0.08 0.00 0.51 0.00 0.00 43.02 42.98 1qbk s PHE 876 CO -0.07 0.04 1.44 -1.25 0.70 0.00 0.00 175.22 176.08 1qbk s PRO 877 N -1.72 4.29 0.00 0.24 0.04 -1.26 -4.57 135.00 132.02 1qbk s PRO 877 Ca -0.03 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1qbk s PRO 877 Cb -0.10 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1qbk s PRO 877 CO 0.02 -0.50 0.00 -0.11 0.04 0.00 0.00 177.00 176.45 1qbk n LEU 878 N 4.09 0.00 -0.05 -3.56 7.94 -1.26 -1.74 117.00 122.42 1qbk n LEU 878 Ca 0.12 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.89 1qbk n LEU 878 Cb 0.41 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.28 1qbk n LEU 878 CO 0.59 0.00 0.53 1.55 -1.11 0.00 0.00 177.39 178.95 1qbk h PRO 879 N 0.00 -0.48 -0.20 1.96 0.13 -2.00 -0.90 132.00 130.50 1qbk h PRO 879 Ca 0.00 0.03 0.04 0.00 -0.87 0.00 0.00 66.00 65.20 1qbk h PRO 879 Cb 0.00 0.11 -0.04 0.00 0.13 0.00 0.00 31.00 31.20 1qbk h PRO 879 CO 0.00 -0.32 -0.05 -0.07 -0.23 0.00 0.00 178.00 177.33 1qbk h LEU 880 N -0.50 -0.18 -0.92 1.56 3.38 -1.64 -1.81 115.31 115.20 1qbk h LEU 880 Ca 0.06 0.06 0.27 0.00 0.09 0.00 0.00 57.88 58.36 1qbk h LEU 880 Cb 0.64 0.12 -0.16 0.00 0.09 0.00 0.00 40.66 41.36 1qbk h LEU 880 CO -0.48 -0.06 0.21 0.50 0.09 0.00 0.00 178.44 178.69 1qbk h LYS 881 N 0.00 0.12 0.03 1.13 3.64 -1.08 0.11 116.57 120.53 1qbk h LYS 881 Ca 0.10 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.28 1qbk h LYS 881 Cb 0.15 -0.03 0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1qbk h LYS 881 CO -0.21 0.08 -0.77 0.93 -2.27 0.00 0.00 179.45 177.21 1qbk h GLU 882 N 0.13 0.48 -0.65 1.90 5.08 -0.45 -2.48 114.58 118.58 1qbk h GLU 882 Ca 0.60 -0.55 0.05 0.00 -1.00 0.00 0.00 59.36 58.46 1qbk h GLU 882 Cb 1.27 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 30.64 1qbk h GLU 882 CO -0.74 1.19 0.37 0.00 -1.00 0.00 0.00 179.01 178.82 1qbk h ARG 883 N -0.00 0.67 -0.69 2.33 3.08 -0.38 0.25 114.38 119.63 1qbk h ARG 883 Ca -0.10 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 1qbk h ARG 883 Cb 1.48 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 31.35 1qbk h ARG 883 CO 0.15 0.44 0.39 -0.07 -1.07 0.00 0.00 179.97 179.82 1qbk h LEU 884 N 0.69 0.86 0.10 3.04 3.38 -0.89 -1.90 115.31 120.58 1qbk h LEU 884 Ca 0.28 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.18 1qbk h LEU 884 Cb 0.15 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1qbk h LEU 884 CO -0.16 0.69 -0.11 0.00 0.09 0.00 0.00 178.44 178.95 1qbk h ALA 885 N 1.20 -0.20 -0.96 1.53 0.00 -0.71 -1.37 119.26 118.74 1qbk h ALA 885 Ca 0.25 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.24 1qbk h ALA 885 Cb 0.01 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 17.89 1qbk h ALA 885 CO -0.04 -0.63 0.61 0.00 0.00 0.00 0.00 179.25 179.19 1qbk h ALA 886 N 0.65 1.58 -0.20 0.00 0.00 -0.25 -1.91 119.26 119.13 1qbk h ALA 886 Ca 0.01 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1qbk h ALA 886 Cb 0.23 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1qbk h ALA 886 CO -0.04 0.20 -0.53 0.74 0.00 0.00 0.00 179.25 179.62 1qbk h PHE 887 N 0.95 0.74 -3.86 0.00 0.05 -0.96 -3.43 116.94 110.43 1qbk h PHE 887 Ca 0.46 -0.26 -0.47 0.00 3.82 0.00 0.00 57.97 61.52 1qbk h PHE 887 Cb 0.46 -0.14 -0.02 0.00 2.00 0.00 0.00 35.95 38.25 1qbk h PHE 887 CO -0.00 0.99 0.32 -0.47 -0.18 0.00 0.00 178.31 178.97 1qbk s TYR 888 N -4.04 3.67 -0.59 -0.55 5.04 -0.55 -4.05 117.35 116.29 1qbk s TYR 888 Ca -0.08 1.73 0.05 0.00 -2.44 0.00 0.00 57.07 56.34 1qbk s TYR 888 Cb 0.11 -2.89 0.19 0.00 0.35 0.00 0.00 41.96 39.73 1qbk s TYR 888 CO 0.84 0.21 0.51 0.41 -1.34 0.00 0.00 175.55 176.18 1qbk n GLY 889 N 0.53 3.58 0.00 8.97 0.00 -1.26 -4.84 105.19 112.17 1qbk n GLY 889 Ca 0.02 -2.20 0.06 0.00 0.00 0.00 0.00 46.02 43.90 1qbk n GLY 889 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70