#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wqt h MET 1 N 0.00 0.18 -0.01 3.23 2.86 -2.08 -3.30 114.93 115.81 2wqt h MET 1 Ca 0.00 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 2wqt h MET 1 Cb 0.00 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.69 2wqt h MET 1 CO 0.00 0.78 -0.06 0.25 1.06 0.00 0.00 176.91 178.94 2wqt n THR 2 N -4.60 0.00 -0.29 2.22 -2.24 -1.26 -4.32 114.28 103.80 2wqt n THR 2 Ca -0.09 -0.20 -0.03 0.00 -2.27 0.00 0.00 64.05 61.47 2wqt n THR 2 Cb 0.41 0.39 0.09 0.00 -2.10 0.00 0.00 70.33 69.12 2wqt n THR 2 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2wqt h LYS 3 N 1.87 0.98 -0.63 -0.78 3.64 -2.00 0.43 116.57 120.08 2wqt h LYS 3 Ca 0.00 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2wqt h LYS 3 Cb 0.46 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 2wqt h LYS 3 CO 0.00 0.65 0.34 1.25 -2.27 0.00 0.00 179.45 179.42 2wqt h HIS 4 N 1.01 0.88 -0.75 1.91 2.76 -1.80 -1.59 115.15 117.57 2wqt h HIS 4 Ca 0.31 -0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.43 2wqt h HIS 4 Cb -0.03 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 28.62 2wqt h HIS 4 CO -0.03 0.64 0.36 1.15 -1.30 0.00 0.00 177.93 178.75 2wqt h THR 5 N 0.87 1.24 -0.41 6.26 2.02 -1.63 -2.07 112.91 119.19 2wqt h THR 5 Ca 0.22 -0.67 -0.03 0.00 0.77 0.00 0.00 66.41 66.71 2wqt h THR 5 Cb 0.06 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 2wqt h THR 5 CO -0.03 0.28 0.14 -0.07 0.37 0.00 0.00 175.52 176.21 2wqt h LEU 6 N 1.06 0.58 -0.78 2.58 4.07 -0.46 -1.00 115.31 121.36 2wqt h LEU 6 Ca 0.26 -0.19 0.06 0.00 0.08 0.00 0.00 57.88 58.09 2wqt h LEU 6 Cb 0.11 -0.15 -0.06 0.00 1.08 0.00 0.00 40.66 41.64 2wqt h LEU 6 CO -0.03 0.61 0.47 -0.33 -1.08 0.00 0.00 178.44 178.08 2wqt h GLU 7 N 0.52 0.82 -0.18 1.13 4.39 -1.04 -0.43 114.58 119.79 2wqt h GLU 7 Ca 0.13 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 2wqt h GLU 7 Cb 0.23 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 2wqt h GLU 7 CO -0.01 0.54 0.08 1.96 -1.16 0.00 0.00 179.01 180.43 2wqt h GLN 8 N 0.85 0.26 -0.56 2.33 4.20 -0.94 -1.58 115.11 119.68 2wqt h GLN 8 Ca 0.35 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.93 2wqt h GLN 8 Cb 0.20 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 2wqt h GLN 8 CO -0.18 0.32 -0.00 -0.07 -0.67 0.00 0.00 178.83 178.22 2wqt h LEU 9 N 0.15 0.97 -0.59 1.46 3.38 -0.99 -1.16 115.31 118.52 2wqt h LEU 9 Ca 0.06 -0.31 0.07 0.00 0.09 0.00 0.00 57.88 57.79 2wqt h LEU 9 Cb 0.14 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 2wqt h LEU 9 CO -0.01 1.04 0.29 0.00 0.09 0.00 0.00 178.44 179.85 2wqt h ALA 10 N 0.96 0.78 -0.67 1.53 0.00 -0.99 -1.24 119.26 119.63 2wqt h ALA 10 Ca 0.16 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 2wqt h ALA 10 Cb 0.54 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2wqt h ALA 10 CO 0.03 -0.08 0.23 0.00 0.00 0.00 0.00 179.25 179.43 2wqt h ALA 11 N 1.34 0.87 -0.60 0.00 0.00 -0.96 -1.48 119.26 118.43 2wqt h ALA 11 Ca 0.28 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2wqt h ALA 11 Cb 0.23 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 2wqt h ALA 11 CO -0.21 0.53 0.31 -0.44 0.00 0.00 0.00 179.25 179.44 2wqt h ASP 12 N 0.96 0.45 -0.68 0.00 3.32 -0.62 -0.50 116.42 119.34 2wqt h ASP 12 Ca 0.22 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.26 2wqt h ASP 12 Cb 0.27 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 2wqt h ASP 12 CO -0.01 0.29 0.25 -0.07 -1.72 0.00 0.00 179.24 177.98 2wqt h LEU 13 N 0.58 0.97 -0.36 1.55 4.07 -0.95 -0.07 115.31 121.10 2wqt h LEU 13 Ca 0.27 -0.16 -0.05 0.00 0.08 0.00 0.00 57.88 58.02 2wqt h LEU 13 Cb 0.19 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.67 2wqt h LEU 13 CO -0.19 0.89 0.02 0.03 -1.08 0.00 0.00 178.44 178.10 2wqt h ARG 14 N 1.02 0.63 -0.59 1.13 3.08 -0.70 -2.59 114.38 116.36 2wqt h ARG 14 Ca 0.23 -0.19 -0.09 0.00 0.07 0.00 0.00 59.98 60.00 2wqt h ARG 14 Cb 0.24 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 2wqt h ARG 14 CO -0.01 0.72 0.01 -0.09 -1.07 0.00 0.00 179.97 179.53 2wqt h ARG 15 N 0.45 1.02 -0.43 0.04 2.43 -0.98 -1.46 114.38 115.43 2wqt h ARG 15 Ca 0.10 -0.30 0.08 0.00 -0.81 0.00 0.00 59.98 59.05 2wqt h ARG 15 Cb 0.43 -0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 29.81 2wqt h ARG 15 CO 0.02 0.99 0.01 0.00 -1.51 0.00 0.00 179.97 179.47 2wqt h ALA 16 N 1.07 0.41 -0.17 2.80 0.00 -0.89 -1.05 119.26 121.42 2wqt h ALA 16 Ca 0.17 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 2wqt h ALA 16 Cb 0.52 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2wqt h ALA 16 CO 0.03 -0.38 0.02 0.00 0.00 0.00 0.00 179.25 178.91 2wqt h ALA 17 N 1.38 0.22 -0.73 0.00 0.00 -1.22 -1.37 119.26 117.54 2wqt h ALA 17 Ca 0.22 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.05 2wqt h ALA 17 Cb 0.31 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 2wqt h ALA 17 CO -0.35 -0.11 0.48 0.93 0.00 0.00 0.00 179.25 180.20 2wqt h GLU 18 N 0.06 0.61 0.00 0.00 5.08 -0.95 -3.01 114.58 116.36 2wqt h GLU 18 Ca 0.05 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2wqt h GLU 18 Cb 0.32 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2wqt h GLU 18 CO 0.00 0.40 -1.27 1.04 -1.00 0.00 0.00 179.01 178.18 2wqt n GLN 19 N -4.49 0.27 -2.59 2.33 6.02 -0.43 -4.97 117.38 113.52 2wqt n GLN 19 Ca 0.12 -0.06 -0.19 0.00 -0.01 0.00 0.00 57.00 56.87 2wqt n GLN 19 Cb 0.34 -1.53 0.01 0.00 1.02 0.00 0.00 30.24 30.08 2wqt n GLN 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wqt n GLY 20 N 1.39 -0.36 2.98 1.08 0.00 -0.55 -5.01 105.19 104.73 2wqt n GLY 20 Ca 0.01 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 2wqt n GLY 20 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wqt s GLU 21 N -5.18 2.02 0.48 1.61 2.02 -1.01 -5.06 118.70 113.58 2wqt s GLU 21 Ca 0.12 -0.58 -0.21 0.00 0.02 0.00 0.00 54.97 54.31 2wqt s GLU 21 Cb -0.05 -2.10 -0.08 0.00 0.10 0.00 0.00 34.13 32.00 2wqt s GLU 21 CO 0.14 -0.31 1.07 0.00 0.02 0.00 0.00 175.26 176.18 2wqt s ALA 22 N 1.51 2.89 0.42 5.21 0.00 -1.26 -4.46 121.76 126.07 2wqt s ALA 22 Ca 0.03 0.70 0.07 0.00 0.00 0.00 0.00 51.96 52.76 2wqt s ALA 22 Cb -0.14 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 2wqt s ALA 22 CO -0.09 -0.41 0.31 0.96 0.00 0.00 0.00 175.76 176.53 2wqt s ILE 23 N -1.84 2.49 0.54 0.00 -4.36 0.10 -4.65 121.20 113.49 2wqt s ILE 23 Ca 0.66 -1.47 -0.19 0.00 -0.26 0.00 0.00 60.65 59.40 2wqt s ILE 23 Cb -0.20 -2.96 -0.06 0.00 1.25 0.00 0.00 42.46 40.50 2wqt s ILE 23 CO 0.24 0.00 1.09 0.00 0.24 0.00 0.00 174.94 176.51 2wqt s ALA 24 N -2.53 2.73 0.38 2.27 0.00 -1.26 -0.37 121.76 122.98 2wqt s ALA 24 Ca 0.45 0.67 -0.26 0.00 0.00 0.00 0.00 51.96 52.82 2wqt s ALA 24 Cb -0.01 -3.30 -0.11 0.00 0.00 0.00 0.00 23.12 19.69 2wqt s ALA 24 CO 0.26 -0.69 1.07 -2.30 0.00 0.00 0.00 175.76 174.10 2wqt n PRO 25 N -1.41 1.51 0.03 0.00 -0.02 -1.26 -4.87 135.00 128.97 2wqt n PRO 25 Ca 0.10 0.54 0.13 0.00 -2.02 0.00 0.00 63.50 62.25 2wqt n PRO 25 Cb 0.52 -2.07 0.32 0.00 -0.02 0.00 0.00 33.50 32.25 2wqt n PRO 25 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wqt n LEU 26 N 0.66 0.47 -0.23 2.45 4.32 -1.26 -4.56 117.00 118.85 2wqt n LEU 26 Ca 0.08 0.22 0.03 0.00 -0.02 0.00 0.00 56.01 56.32 2wqt n LEU 26 Cb 0.37 -0.29 0.15 0.00 -1.62 0.00 0.00 43.42 42.03 2wqt n LEU 26 CO 0.58 0.02 1.00 0.08 -1.22 0.00 0.00 177.39 177.85 2wqt h ARG 27 N 0.00 0.41 0.00 3.23 0.11 -1.93 -1.05 114.38 115.15 2wqt h ARG 27 Ca 0.00 -0.02 -0.11 0.00 0.10 0.00 0.00 59.98 59.95 2wqt h ARG 27 Cb 0.59 -0.09 -0.02 0.00 1.11 0.00 0.00 29.97 31.56 2wqt h ARG 27 CO 0.00 0.27 -0.51 -0.44 0.10 0.00 0.00 179.97 179.38 2wqt h ASP 28 N 0.42 0.00 1.15 0.08 3.32 -1.91 0.28 116.42 119.75 2wqt h ASP 28 Ca 0.37 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.30 2wqt h ASP 28 Cb 0.52 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 2wqt h ASP 28 CO -0.37 0.51 -0.56 -0.07 -1.72 0.00 0.00 179.24 177.03 2wqt h LEU 29 N 0.00 0.00 0.00 1.55 4.07 -1.51 -3.33 115.31 116.09 2wqt h LEU 29 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 2wqt h LEU 29 Cb 0.94 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.68 2wqt h LEU 29 CO 0.07 0.56 -1.13 2.30 -1.08 0.00 0.00 178.44 179.16 2wqt n ILE 30 N -3.38 0.00 -0.00 1.22 -5.35 -1.01 -5.11 119.36 105.73 2wqt n ILE 30 Ca 0.01 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.24 2wqt n ILE 30 Cb 0.70 0.53 0.00 0.00 -1.74 0.00 0.00 39.64 39.12 2wqt n ILE 30 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wqt n GLY 31 N 1.65 1.48 0.43 3.28 0.00 0.97 -4.55 105.19 108.45 2wqt n GLY 31 Ca -0.01 -1.32 0.24 0.00 0.00 0.00 0.00 46.02 44.94 2wqt n GLY 31 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2wqt h ILE 32 N 0.00 0.59 -1.14 -0.61 2.10 -1.90 -1.12 117.51 115.43 2wqt h ILE 32 Ca 0.00 -0.08 -0.55 0.00 1.08 0.00 0.00 64.86 65.30 2wqt h ILE 32 Cb 0.00 0.33 -0.42 0.00 -1.09 0.00 0.00 36.82 35.63 2wqt h ILE 32 CO 0.00 0.04 -0.80 -0.90 -1.08 0.00 0.00 178.15 175.41 2wqt n ASP 33 N -4.43 4.54 -4.28 2.19 5.75 -1.26 -4.52 116.55 114.54 2wqt n ASP 33 Ca 0.20 -3.63 -0.44 0.00 -0.01 0.00 0.00 54.79 50.92 2wqt n ASP 33 Cb 0.85 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 2wqt n ASP 33 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2wqt n ASN 34 N -0.56 5.53 -0.21 -1.12 2.85 -0.43 -4.85 115.26 116.47 2wqt n ASN 34 Ca 0.39 -3.09 -0.06 0.00 -0.11 0.00 0.00 54.58 51.71 2wqt n ASN 34 Cb 0.80 -1.43 0.04 0.00 1.24 0.00 0.00 39.78 40.42 2wqt n ASN 34 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2wqt h ALA 35 N 6.51 0.77 -0.75 5.20 0.00 -1.89 -2.83 119.26 126.26 2wqt h ALA 35 Ca 0.25 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.21 2wqt h ALA 35 Cb 0.81 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 2wqt h ALA 35 CO 1.20 0.23 0.37 1.49 0.00 0.00 0.00 179.25 182.55 2wqt h GLU 36 N 0.82 0.59 -0.28 0.00 4.81 -2.00 -1.63 114.58 116.88 2wqt h GLU 36 Ca 0.22 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.33 2wqt h GLU 36 Cb -0.05 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 2wqt h GLU 36 CO -0.04 0.39 -0.13 0.00 -0.73 0.00 0.00 179.01 178.49 2wqt h ALA 37 N 1.47 0.40 -0.51 2.92 0.00 -1.91 -1.53 119.26 120.11 2wqt h ALA 37 Ca 0.38 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 55.02 2wqt h ALA 37 Cb 0.45 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 2wqt h ALA 37 CO -0.30 0.28 0.25 0.00 0.00 0.00 0.00 179.25 179.47 2wqt h ALA 38 N 0.75 0.65 -0.29 0.00 0.00 -1.21 -0.25 119.26 118.91 2wqt h ALA 38 Ca 0.06 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2wqt h ALA 38 Cb 0.65 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2wqt h ALA 38 CO 0.04 -0.11 -0.10 1.88 0.00 0.00 0.00 179.25 180.96 2wqt h TYR 39 N 0.48 0.52 -0.63 0.00 -1.99 -1.24 -2.15 116.97 111.96 2wqt h TYR 39 Ca 0.23 -0.07 -0.09 0.00 2.00 0.00 0.00 58.73 60.79 2wqt h TYR 39 Cb 0.15 -0.14 -0.02 0.00 2.00 0.00 0.00 36.73 38.71 2wqt h TYR 39 CO -0.11 0.58 0.04 0.00 -0.00 0.00 0.00 178.16 178.67 2wqt h ALA 40 N 1.44 0.87 -0.35 3.88 0.00 -0.25 -0.16 119.26 124.69 2wqt h ALA 40 Ca 0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2wqt h ALA 40 Cb 0.46 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2wqt h ALA 40 CO 0.03 0.67 0.18 0.82 0.00 0.00 0.00 179.25 180.95 2wqt h ILE 41 N 1.00 1.15 -0.65 0.00 2.04 -0.81 0.74 117.51 120.98 2wqt h ILE 41 Ca 0.18 -0.39 0.04 0.00 1.00 0.00 0.00 64.86 65.70 2wqt h ILE 41 Cb 0.52 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 2wqt h ILE 41 CO 0.02 0.15 0.38 -0.61 0.00 0.00 0.00 178.15 178.10 2wqt h GLN 42 N 0.43 0.71 -0.33 2.37 4.15 -1.21 -2.44 115.11 118.80 2wqt h GLN 42 Ca 0.12 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 2wqt h GLN 42 Cb 0.07 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.59 2wqt h GLN 42 CO -0.02 0.47 0.15 1.25 -1.93 0.00 0.00 178.83 178.75 2wqt h HIS 43 N 0.73 0.49 -0.45 3.99 2.76 -0.69 -0.63 115.15 121.36 2wqt h HIS 43 Ca 0.27 -0.03 0.09 0.00 -2.20 0.00 0.00 60.37 58.51 2wqt h HIS 43 Cb 0.09 -0.15 -0.09 0.00 1.55 0.00 0.00 27.41 28.81 2wqt h HIS 43 CO -0.06 0.44 -0.15 0.82 -1.30 0.00 0.00 177.93 177.68 2wqt h ILE 44 N 0.40 0.48 -0.18 6.26 1.08 -0.58 0.17 117.51 125.14 2wqt h ILE 44 Ca 0.11 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.46 2wqt h ILE 44 Cb 0.14 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 34.36 2wqt h ILE 44 CO -0.01 0.00 -0.42 0.78 -0.69 0.00 0.00 178.15 177.81 2wqt h ASN 45 N -0.05 0.46 -0.37 1.72 2.35 -1.10 -0.26 115.58 118.33 2wqt h ASN 45 Ca 0.22 -0.20 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 2wqt h ASN 45 Cb 0.38 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 2wqt h ASN 45 CO -0.49 0.83 0.05 0.58 -1.65 0.00 0.00 177.43 176.74 2wqt h VAL 46 N 0.36 1.24 -0.72 2.81 2.07 -0.75 -2.42 116.25 118.85 2wqt h VAL 46 Ca 0.03 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 2wqt h VAL 46 Cb 0.89 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 2wqt h VAL 46 CO 0.07 0.30 0.32 -0.61 0.02 0.00 0.00 177.57 177.68 2wqt h GLN 47 N 0.46 1.05 -0.33 1.57 5.75 -0.66 -0.50 115.11 122.44 2wqt h GLN 47 Ca 0.11 -0.17 -0.00 0.00 -0.15 0.00 0.00 58.65 58.44 2wqt h GLN 47 Cb 0.38 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 2wqt h GLN 47 CO 0.01 0.84 0.20 1.25 -2.65 0.00 0.00 178.83 178.48 2wqt h HIS 48 N 1.01 0.43 -0.35 3.99 2.76 -1.02 -2.09 115.15 119.88 2wqt h HIS 48 Ca 0.24 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.30 2wqt h HIS 48 Cb 0.15 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 2wqt h HIS 48 CO 0.01 0.30 -0.25 -0.44 -1.30 0.00 0.00 177.93 176.25 2wqt h ASP 49 N 0.43 0.71 -0.72 3.26 3.32 -1.03 -2.88 116.42 119.51 2wqt h ASP 49 Ca 0.12 -0.26 -0.05 0.00 0.02 0.00 0.00 57.03 56.85 2wqt h ASP 49 Cb -0.00 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 2wqt h ASP 49 CO -0.02 0.93 0.24 0.58 -1.72 0.00 0.00 179.24 179.25 2wqt h VAL 50 N 0.60 1.26 0.00 -1.35 2.07 -0.93 -1.62 116.25 116.28 2wqt h VAL 50 Ca 0.08 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 2wqt h VAL 50 Cb 0.74 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2wqt h VAL 50 CO 0.06 0.34 -0.01 0.00 0.02 0.00 0.00 177.57 177.98 2wqt h ALA 51 N 1.18 1.31 -0.53 1.67 0.00 -1.16 0.65 119.26 122.38 2wqt h ALA 51 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2wqt h ALA 51 Cb 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2wqt h ALA 51 CO -0.01 0.01 0.00 1.04 0.00 0.00 0.00 179.25 180.29 2wqt n GLN 52 N -3.55 2.28 -0.59 0.00 6.02 -0.68 -4.94 117.38 115.92 2wqt n GLN 52 Ca -0.03 -1.91 0.00 0.00 -0.01 0.00 0.00 57.00 55.05 2wqt n GLN 52 Cb 0.09 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 29.92 2wqt n GLN 52 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wqt n GLY 53 N 1.31 0.71 3.74 1.08 0.00 0.22 -5.05 105.19 107.20 2wqt n GLY 53 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2wqt n GLY 53 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wqt s ARG 54 N -0.41 4.35 -0.29 1.61 3.52 -0.79 -4.99 118.95 121.95 2wqt s ARG 54 Ca 0.00 2.12 -0.11 0.00 -0.13 0.00 0.00 55.73 57.61 2wqt s ARG 54 Cb 0.00 -3.18 -0.03 0.00 -1.56 0.00 0.00 34.95 30.18 2wqt s ARG 54 CO 0.00 -0.31 0.17 0.50 -0.81 0.00 0.00 175.30 174.85 2wqt s ARG 55 N -0.03 3.69 0.08 5.12 3.52 -1.26 -4.26 118.95 125.81 2wqt s ARG 55 Ca 0.58 -0.49 -0.31 0.00 -0.13 0.00 0.00 55.73 55.38 2wqt s ARG 55 Cb -0.38 -3.62 -0.07 0.00 -1.56 0.00 0.00 34.95 29.33 2wqt s ARG 55 CO 0.38 -0.28 1.34 0.08 -0.81 0.00 0.00 175.30 176.02 2wqt s VAL 56 N 1.70 3.54 -0.14 7.11 1.01 -1.26 -1.00 120.40 131.36 2wqt s VAL 56 Ca 0.06 1.09 0.04 0.00 0.00 0.00 0.00 61.98 63.17 2wqt s VAL 56 Cb -0.16 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.47 2wqt s VAL 56 CO 0.09 0.07 0.15 1.33 0.00 0.00 0.00 175.10 176.74 2wqt n VAL 57 N 4.05 0.00 -3.56 2.92 0.24 -0.03 -4.86 118.33 117.09 2wqt n VAL 57 Ca 0.11 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 2wqt n VAL 57 Cb 0.43 0.85 0.00 0.00 -1.47 0.00 0.00 33.84 33.65 2wqt n VAL 57 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wqt n GLY 58 N 1.40 -0.51 3.26 7.63 0.00 -1.21 -1.06 105.19 114.69 2wqt n GLY 58 Ca 0.00 -0.97 -0.15 0.00 0.00 0.00 0.00 46.02 44.91 2wqt n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wqt s ARG 59 N -1.49 1.12 -0.05 1.61 1.81 -0.82 -0.93 118.95 120.19 2wqt s ARG 59 Ca 0.00 -1.50 0.06 0.00 -1.72 0.00 0.00 55.73 52.57 2wqt s ARG 59 Cb 0.00 -0.58 -0.02 0.00 -0.45 0.00 0.00 34.95 33.91 2wqt s ARG 59 CO 0.00 0.02 -0.22 0.21 -0.68 0.00 0.00 175.30 174.62 2wqt s LYS 60 N -3.79 2.45 -0.19 3.54 2.36 0.07 -1.76 119.74 122.42 2wqt s LYS 60 Ca 0.20 -0.85 -0.09 0.00 -2.55 0.00 0.00 55.97 52.67 2wqt s LYS 60 Cb 0.04 -2.20 -0.05 0.00 -1.05 0.00 0.00 37.83 34.57 2wqt s LYS 60 CO 0.02 0.48 0.11 0.08 1.55 0.00 0.00 175.35 177.60 2wqt s VAL 61 N -0.40 5.26 0.41 4.02 1.01 0.61 -1.33 120.40 129.99 2wqt s VAL 61 Ca 0.04 0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.20 2wqt s VAL 61 Cb -0.12 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 2wqt s VAL 61 CO 0.02 0.45 0.03 -0.83 0.00 0.00 0.00 175.10 174.76 2wqt s GLY 62 N 0.34 2.55 -1.19 4.51 0.00 -0.38 -3.45 107.32 109.69 2wqt s GLY 62 Ca 0.07 -1.68 -0.12 0.00 0.00 0.00 0.00 44.72 42.99 2wqt s GLY 62 CO -0.01 -2.03 0.75 1.04 0.00 0.00 0.00 173.10 172.84 2wqt n LEU 63 N -0.97 -3.24 -0.02 0.66 4.77 -1.26 -1.61 117.00 115.33 2wqt n LEU 63 Ca -0.08 -0.93 0.11 0.00 -0.03 0.00 0.00 56.01 55.08 2wqt n LEU 63 Cb 0.67 -2.55 -0.01 0.00 -2.33 0.00 0.00 43.42 39.19 2wqt n LEU 63 CO 0.44 0.40 0.11 0.35 -1.33 0.00 0.00 177.39 177.35 2wqt n THR 64 N -4.09 0.00 -3.10 -5.08 -2.24 -1.26 -4.19 114.28 94.32 2wqt n THR 64 Ca -0.16 -0.01 -0.40 0.00 -2.27 0.00 0.00 64.05 61.21 2wqt n THR 64 Cb 0.63 0.79 -0.06 0.00 -2.10 0.00 0.00 70.33 69.59 2wqt n THR 64 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2wqt s HIS 65 N -2.98 3.35 0.62 4.78 3.76 -1.26 -2.00 115.29 121.56 2wqt s HIS 65 Ca 0.09 0.91 0.38 0.00 -0.15 0.00 0.00 55.06 56.30 2wqt s HIS 65 Cb 0.17 -2.82 2.15 0.00 1.11 0.00 0.00 32.58 33.18 2wqt s HIS 65 CO 0.81 -0.22 2.31 -1.35 -0.85 0.00 0.00 174.74 175.44 2wqt h PRO 66 N 7.59 0.00 0.90 8.40 0.11 -1.88 -1.64 132.00 145.48 2wqt h PRO 66 Ca -0.30 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.77 2wqt h PRO 66 Cb 1.14 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.25 2wqt h PRO 66 CO 0.78 0.00 -0.43 0.87 -0.21 0.00 0.00 178.00 179.01 2wqt h LYS 67 N 0.00 -1.17 -0.62 1.05 1.57 -1.98 -2.50 116.57 112.93 2wqt h LYS 67 Ca -0.00 0.08 0.10 0.00 -1.87 0.00 0.00 60.65 58.96 2wqt h LYS 67 Cb 0.02 0.26 -0.04 0.00 0.08 0.00 0.00 32.23 32.56 2wqt h LYS 67 CO 0.00 -0.78 0.42 0.28 -0.57 0.00 0.00 179.45 178.80 2wqt h VAL 68 N -1.25 0.91 -0.11 0.50 2.07 -1.78 -1.73 116.25 114.86 2wqt h VAL 68 Ca -0.12 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 2wqt h VAL 68 Cb 0.93 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2wqt h VAL 68 CO 0.20 0.08 0.05 1.56 0.02 0.00 0.00 177.57 179.49 2wqt h GLN 69 N 0.45 0.16 0.06 1.57 4.20 -1.33 -2.96 115.11 117.26 2wqt h GLN 69 Ca 0.29 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.97 2wqt h GLN 69 Cb 0.52 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.27 2wqt h GLN 69 CO -0.08 0.23 -0.03 1.96 -0.67 0.00 0.00 178.83 180.23 2wqt h GLN 70 N 0.05 -0.08 0.00 1.46 1.08 -0.96 -0.78 115.11 115.88 2wqt h GLN 70 Ca 0.04 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 2wqt h GLN 70 Cb 0.12 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 2wqt h GLN 70 CO -0.00 0.15 0.03 0.94 -0.95 0.00 0.00 178.83 178.99 2wqt n GLN 71 N -5.03 0.00 0.00 1.46 7.27 -0.70 -1.19 117.38 119.20 2wqt n GLN 71 Ca -0.08 0.13 0.00 0.00 0.07 0.00 0.00 57.00 57.12 2wqt n GLN 71 Cb 0.15 -1.53 0.00 0.00 2.41 0.00 0.00 30.24 31.27 2wqt n GLN 71 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2wqt n LEU 72 N -1.07 0.70 0.00 1.69 4.32 -1.02 -5.04 117.00 116.58 2wqt n LEU 72 Ca 0.00 -0.70 0.00 0.00 -0.02 0.00 0.00 56.01 55.29 2wqt n LEU 72 Cb 0.03 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.83 2wqt n LEU 72 CO 0.00 0.18 0.00 0.61 -1.22 0.00 0.00 177.39 176.96 2wqt n GLY 73 N -0.12 0.67 3.35 -0.72 0.00 -0.34 -4.24 105.19 103.80 2wqt n GLY 73 Ca 0.00 -0.27 -0.18 0.00 0.00 0.00 0.00 46.02 45.58 2wqt n GLY 73 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wqt s VAL 74 N -2.00 0.91 0.00 1.61 -7.23 -0.35 -5.01 120.40 108.33 2wqt s VAL 74 Ca 0.00 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 2wqt s VAL 74 Cb 0.00 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.39 2wqt s VAL 74 CO 0.00 -0.14 0.89 -0.90 -0.31 0.00 0.00 175.10 174.63 2wqt n ASP 75 N -0.50 1.69 -4.69 4.85 5.68 -1.26 -3.65 116.55 118.67 2wqt n ASP 75 Ca -0.03 -1.79 -0.29 0.00 -0.50 0.00 0.00 54.79 52.18 2wqt n ASP 75 Cb 0.65 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.56 2wqt n ASP 75 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 2wqt s GLN 76 N -0.79 2.54 0.00 0.11 -1.52 -1.26 -5.13 119.66 113.61 2wqt s GLN 76 Ca 0.00 -0.90 0.00 0.00 -1.95 0.00 0.00 55.36 52.51 2wqt s GLN 76 Cb 0.00 -2.51 0.00 0.00 -0.22 0.00 0.00 33.01 30.28 2wqt s GLN 76 CO 0.00 0.52 0.00 -0.35 -0.25 0.00 0.00 175.29 175.21 2wqt n PRO 77 N 0.32 2.49 -3.82 2.91 -0.04 -1.26 -4.95 135.00 130.66 2wqt n PRO 77 Ca -0.10 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.24 2wqt n PRO 77 Cb 0.53 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.89 2wqt n PRO 77 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2wqt s ASP 78 N -1.00 -0.11 0.06 3.54 3.68 -0.63 -4.97 116.67 117.23 2wqt s ASP 78 Ca 0.00 0.06 0.03 0.00 2.13 0.00 0.00 52.55 54.78 2wqt s ASP 78 Cb 0.00 0.31 -0.03 0.00 -1.45 0.00 0.00 42.92 41.76 2wqt s ASP 78 CO 0.00 -0.32 -0.10 0.72 0.13 0.00 0.00 175.17 175.60 2wqt s PHE 79 N -0.98 0.88 0.22 -5.34 -0.71 -1.26 -1.25 117.98 109.55 2wqt s PHE 79 Ca -0.11 -0.50 0.02 0.00 -1.04 0.00 0.00 56.93 55.31 2wqt s PHE 79 Cb -0.05 -0.51 -0.05 0.00 -1.21 0.00 0.00 43.02 41.20 2wqt s PHE 79 CO 0.02 -0.03 0.03 0.20 -1.34 0.00 0.00 175.22 174.10 2wqt s GLY 80 N -1.69 1.51 -0.14 1.99 0.00 -0.44 -4.38 107.32 104.17 2wqt s GLY 80 Ca -0.06 -1.75 -0.05 0.00 0.00 0.00 0.00 44.72 42.86 2wqt s GLY 80 CO 0.01 -1.60 0.04 -1.59 0.00 0.00 0.00 173.10 169.96 2wqt s THR 81 N -3.61 4.61 -0.13 0.90 2.01 -1.26 -0.75 115.64 117.41 2wqt s THR 81 Ca 0.30 -0.11 -0.05 0.00 0.31 0.00 0.00 61.69 62.13 2wqt s THR 81 Cb 0.07 -3.01 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 2wqt s THR 81 CO 0.09 0.54 0.06 -0.76 -0.69 0.00 0.00 174.62 173.86 2wqt s LEU 82 N -0.26 3.90 0.08 4.42 1.43 -0.11 -4.91 118.68 123.24 2wqt s LEU 82 Ca 0.07 0.21 0.06 0.00 -1.03 0.00 0.00 54.13 53.45 2wqt s LEU 82 Cb -0.12 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 2wqt s LEU 82 CO 0.02 0.31 -0.10 -0.36 0.23 0.00 0.00 176.35 176.45 2wqt s PHE 83 N -0.46 2.74 0.28 0.29 0.08 -1.26 -0.85 117.98 118.81 2wqt s PHE 83 Ca 0.10 -0.15 0.02 0.00 0.12 0.00 0.00 56.93 57.02 2wqt s PHE 83 Cb -0.12 -1.46 0.68 0.00 -0.57 0.00 0.00 43.02 41.54 2wqt s PHE 83 CO 0.02 0.40 1.69 0.00 -0.10 0.00 0.00 175.22 177.23 2wqt h ALA 84 N 3.83 1.33 0.00 5.36 0.00 -1.40 0.18 119.26 128.56 2wqt h ALA 84 Ca -0.49 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2wqt h ALA 84 Cb 1.17 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2wqt h ALA 84 CO 0.52 -0.35 0.00 -0.40 0.00 0.00 0.00 179.25 179.02 2wqt n ASP 85 N -5.08 0.00 0.03 0.00 5.75 -1.26 -1.94 116.55 114.05 2wqt n ASP 85 Ca 0.20 0.27 0.13 0.00 -0.01 0.00 0.00 54.79 55.38 2wqt n ASP 85 Cb 0.62 -0.37 0.47 0.00 -1.03 0.00 0.00 41.12 40.81 2wqt n ASP 85 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 2wqt n MET 86 N -1.37 0.09 -3.12 0.11 2.81 0.62 -4.85 117.12 111.40 2wqt n MET 86 Ca 0.05 0.06 -0.41 0.00 -1.81 0.00 0.00 57.70 55.58 2wqt n MET 86 Cb 0.12 -1.59 -0.07 0.00 -0.71 0.00 0.00 33.22 30.98 2wqt n MET 86 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wqt s TYR 88 N 2.61 3.38 0.65 0.00 2.02 0.59 -4.99 117.35 121.63 2wqt s TYR 88 Ca 0.24 0.30 -0.11 0.00 -0.37 0.00 0.00 57.07 57.14 2wqt s TYR 88 Cb -0.15 -1.81 -0.02 0.00 -0.40 0.00 0.00 41.96 39.59 2wqt s TYR 88 CO 0.13 0.60 1.05 0.20 -1.57 0.00 0.00 175.55 175.95 2wqt s GLY 89 N -1.50 1.66 0.23 0.71 0.00 -1.26 -1.83 107.32 105.32 2wqt s GLY 89 Ca 0.21 -0.09 -0.31 0.00 0.00 0.00 0.00 44.72 44.52 2wqt s GLY 89 CO 0.11 0.21 1.29 1.34 0.00 0.00 0.00 173.10 176.05 2wqt n ASP 90 N -2.89 2.20 -2.63 1.64 4.64 -0.46 -2.67 116.55 116.38 2wqt n ASP 90 Ca 0.06 1.15 -0.20 0.00 -1.38 0.00 0.00 54.79 54.43 2wqt n ASP 90 Cb 0.54 -1.36 0.03 0.00 -1.04 0.00 0.00 41.12 39.30 2wqt n ASP 90 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 2wqt n ASN 91 N 1.94 -5.56 -4.88 1.67 4.05 0.28 -4.97 115.26 107.79 2wqt n ASN 91 Ca 0.12 -0.24 -0.21 0.00 0.45 0.00 0.00 54.58 54.70 2wqt n ASN 91 Cb 0.30 -4.40 0.07 0.00 1.23 0.00 0.00 39.78 36.97 2wqt n ASN 91 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 177.26 173.51 2wqt s GLU 92 N -5.53 2.20 -0.23 1.20 2.12 -1.09 -4.89 118.70 112.49 2wqt s GLU 92 Ca 0.26 -1.17 -0.08 0.00 0.36 0.00 0.00 54.97 54.34 2wqt s GLU 92 Cb -0.11 -2.50 -0.04 0.00 0.26 0.00 0.00 34.13 31.74 2wqt s GLU 92 CO 0.32 -0.97 0.08 0.42 -0.54 0.00 0.00 175.26 174.57 2wqt s ILE 93 N -2.83 4.58 -0.22 -3.70 1.01 -1.26 -2.30 121.20 116.48 2wqt s ILE 93 Ca 0.61 -0.09 -0.10 0.00 0.00 0.00 0.00 60.65 61.08 2wqt s ILE 93 Cb -0.07 -3.12 -0.05 0.00 0.01 0.00 0.00 42.46 39.23 2wqt s ILE 93 CO 0.40 0.37 0.14 -0.63 0.00 0.00 0.00 174.94 175.22 2wqt s ILE 94 N 1.19 5.33 0.15 2.92 1.01 0.72 -4.94 121.20 127.58 2wqt s ILE 94 Ca 0.05 0.17 -0.31 0.00 0.00 0.00 0.00 60.65 60.55 2wqt s ILE 94 Cb -0.14 -3.46 -0.11 0.00 0.01 0.00 0.00 42.46 38.76 2wqt s ILE 94 CO 0.04 0.39 1.82 -2.65 0.00 0.00 0.00 174.94 174.54 2wqt n PRO 95 N 3.92 2.82 -0.03 2.79 -0.02 -1.26 -1.50 135.00 141.71 2wqt n PRO 95 Ca -0.16 1.02 0.10 0.00 -2.02 0.00 0.00 63.50 62.45 2wqt n PRO 95 Cb 0.52 -2.91 0.50 0.00 -0.02 0.00 0.00 33.50 31.58 2wqt n PRO 95 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2wqt h PHE 96 N 8.19 0.41 0.00 6.00 3.57 -1.90 -1.86 116.94 131.35 2wqt h PHE 96 Ca -0.46 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.05 2wqt h PHE 96 Cb 1.22 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.82 2wqt h PHE 96 CO 0.76 0.22 0.00 -1.13 -2.23 0.00 0.00 178.31 175.92 2wqt n SER 97 N -4.47 0.61 -0.22 0.41 3.41 -1.26 -3.83 113.62 108.26 2wqt n SER 97 Ca 0.07 0.60 -0.04 0.00 -0.26 0.00 0.00 58.87 59.25 2wqt n SER 97 Cb 0.28 -0.75 0.07 0.00 -0.26 0.00 0.00 64.21 63.54 2wqt n SER 97 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2wqt h ARG 98 N 0.00 0.72 -5.17 4.33 9.65 -1.71 -3.42 114.38 118.79 2wqt h ARG 98 Ca 0.00 -0.04 -0.66 0.00 -1.10 0.00 0.00 59.98 58.18 2wqt h ARG 98 Cb 0.51 -0.16 -0.29 0.00 -1.39 0.00 0.00 29.97 28.64 2wqt h ARG 98 CO 0.00 0.48 -0.77 0.08 2.80 0.00 0.00 179.97 182.56 2wqt s VAL 99 N -6.12 2.96 -0.15 0.20 1.01 -1.25 -5.05 120.40 111.99 2wqt s VAL 99 Ca -0.13 -0.67 -0.29 0.00 0.00 0.00 0.00 61.98 60.89 2wqt s VAL 99 Cb 0.15 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 2wqt s VAL 99 CO 0.76 0.49 1.11 -0.22 0.00 0.00 0.00 175.10 177.24 2wqt s LEU 100 N 0.88 4.19 -1.02 3.92 2.96 -1.26 -3.93 118.68 124.41 2wqt s LEU 100 Ca -0.03 1.56 -0.10 0.00 -0.22 0.00 0.00 54.13 55.34 2wqt s LEU 100 Cb -0.15 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 2wqt s LEU 100 CO -0.00 -0.62 0.84 0.00 -1.32 0.00 0.00 176.35 175.24 2wqt n GLN 101 N 5.87 -1.75 -2.78 1.98 6.02 -1.26 -1.08 117.38 124.37 2wqt n GLN 101 Ca 0.11 0.83 -0.37 0.00 -0.01 0.00 0.00 57.00 57.56 2wqt n GLN 101 Cb 0.46 -5.15 -0.06 0.00 1.02 0.00 0.00 30.24 26.51 2wqt n GLN 101 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2wqt s PRO 102 N -4.70 4.62 0.02 -1.09 0.04 -1.25 -4.02 135.00 128.62 2wqt s PRO 102 Ca 0.38 1.35 0.02 0.00 0.04 0.00 0.00 61.00 62.79 2wqt s PRO 102 Cb -0.08 -2.86 -0.01 0.00 0.04 0.00 0.00 34.50 31.58 2wqt s PRO 102 CO 0.79 0.31 -0.06 1.03 0.04 0.00 0.00 177.00 179.11 2wqt s ARG 103 N -1.94 0.44 0.10 4.56 3.00 -0.28 -1.69 118.95 123.13 2wqt s ARG 103 Ca 0.49 -0.47 0.06 0.00 0.00 0.00 0.00 55.73 55.82 2wqt s ARG 103 Cb -0.20 -0.30 -0.04 0.00 0.00 0.00 0.00 34.95 34.42 2wqt s ARG 103 CO 0.25 0.07 -0.06 0.96 0.00 0.00 0.00 175.30 176.51 2wqt s ILE 104 N -0.78 3.60 0.03 1.52 -5.25 -0.68 0.43 121.20 120.06 2wqt s ILE 104 Ca -0.05 -1.16 -0.01 0.00 -0.99 0.00 0.00 60.65 58.44 2wqt s ILE 104 Cb -0.06 -2.69 -0.03 0.00 2.95 0.00 0.00 42.46 42.63 2wqt s ILE 104 CO 0.00 0.12 -0.02 -1.83 -1.79 0.00 0.00 174.94 171.42 2wqt s GLU 105 N -2.23 0.43 0.06 0.37 -1.05 -0.39 -1.67 118.70 114.23 2wqt s GLU 105 Ca 0.23 -0.81 -0.16 0.00 -0.15 0.00 0.00 54.97 54.08 2wqt s GLU 105 Cb -0.11 0.15 -0.06 0.00 -0.44 0.00 0.00 34.13 33.67 2wqt s GLU 105 CO 0.15 -0.08 0.49 0.00 0.95 0.00 0.00 175.26 176.78 2wqt s ALA 106 N -2.32 3.64 0.10 -0.84 0.00 -1.26 -0.59 121.76 120.48 2wqt s ALA 106 Ca -0.08 -0.13 -0.06 0.00 0.00 0.00 0.00 51.96 51.69 2wqt s ALA 106 Cb -0.04 -2.49 -0.02 0.00 0.00 0.00 0.00 23.12 20.58 2wqt s ALA 106 CO -0.04 0.46 0.15 -1.21 0.00 0.00 0.00 175.76 175.11 2wqt s GLU 107 N -1.36 0.86 -0.21 0.00 2.02 0.30 -0.90 118.70 119.40 2wqt s GLU 107 Ca 0.29 -1.10 -0.10 0.00 0.02 0.00 0.00 54.97 54.08 2wqt s GLU 107 Cb -0.17 0.31 -0.05 0.00 0.10 0.00 0.00 34.13 34.32 2wqt s GLU 107 CO 0.17 -0.26 0.13 0.42 0.02 0.00 0.00 175.26 175.74 2wqt s ILE 108 N -3.91 5.29 -0.10 -1.63 1.01 -1.26 -0.90 121.20 119.70 2wqt s ILE 108 Ca 0.09 0.15 -0.03 0.00 0.00 0.00 0.00 60.65 60.86 2wqt s ILE 108 Cb 0.06 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 2wqt s ILE 108 CO -0.08 0.41 0.05 0.00 0.00 0.00 0.00 174.94 175.32 2wqt s ALA 109 N 0.61 3.47 0.02 9.38 0.00 0.48 -1.87 121.76 133.85 2wqt s ALA 109 Ca 0.07 -0.75 0.08 0.00 0.00 0.00 0.00 51.96 51.36 2wqt s ALA 109 Cb -0.12 -1.63 -0.03 0.00 0.00 0.00 0.00 23.12 21.34 2wqt s ALA 109 CO 0.01 0.60 -0.25 -0.51 0.00 0.00 0.00 175.76 175.60 2wqt s LEU 110 N -0.93 2.18 -0.04 0.00 1.43 -0.17 -0.93 118.68 120.23 2wqt s LEU 110 Ca 0.14 -0.51 0.05 0.00 -1.03 0.00 0.00 54.13 52.77 2wqt s LEU 110 Cb -0.12 -1.34 -0.03 0.00 0.03 0.00 0.00 46.19 44.74 2wqt s LEU 110 CO 0.03 0.29 -0.16 -0.69 0.23 0.00 0.00 176.35 176.04 2wqt s VAL 111 N -0.74 2.88 -0.11 -1.59 1.01 -0.44 -0.25 120.40 121.17 2wqt s VAL 111 Ca 0.11 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.22 2wqt s VAL 111 Cb -0.10 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 2wqt s VAL 111 CO 0.01 0.58 0.14 -0.76 0.00 0.00 0.00 175.10 175.07 2wqt s LEU 112 N -0.75 4.35 0.34 3.92 1.43 -0.97 0.52 118.68 127.54 2wqt s LEU 112 Ca 0.11 0.45 0.17 0.00 -1.03 0.00 0.00 54.13 53.83 2wqt s LEU 112 Cb -0.10 -2.11 0.56 0.00 0.03 0.00 0.00 46.19 44.57 2wqt s LEU 112 CO 0.00 0.40 1.68 0.78 0.23 0.00 0.00 176.35 179.44 2wqt h ASN 113 N 4.89 0.00 -5.14 2.29 2.35 -1.02 -0.67 115.58 118.28 2wqt h ASN 113 Ca -0.54 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.16 2wqt h ASN 113 Cb 1.22 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 39.49 2wqt h ASN 113 CO 0.59 0.44 -0.08 0.00 -1.65 0.00 0.00 177.43 176.73 2wqt s ARG 114 N -3.55 1.32 0.57 0.81 3.03 -1.26 -4.68 118.95 115.19 2wqt s ARG 114 Ca 0.00 -0.97 -0.20 0.00 2.03 0.00 0.00 55.73 56.59 2wqt s ARG 114 Cb 0.11 0.47 -0.04 0.00 -1.03 0.00 0.00 34.95 34.46 2wqt s ARG 114 CO 0.71 -0.54 1.24 -0.51 -1.13 0.00 0.00 175.30 175.07 2wqt s ASP 115 N -2.91 5.29 -0.64 -2.89 1.01 -1.26 -3.54 116.67 111.74 2wqt s ASP 115 Ca 0.12 2.48 0.05 0.00 0.71 0.00 0.00 52.55 55.90 2wqt s ASP 115 Cb 0.00 -2.61 0.17 0.00 1.01 0.00 0.00 42.92 41.49 2wqt s ASP 115 CO -0.02 -1.53 0.46 -0.76 0.21 0.00 0.00 175.17 173.53 2wqt s LEU 116 N -3.83 4.09 0.31 1.23 1.43 -0.31 -4.91 118.68 116.68 2wqt s LEU 116 Ca 0.75 -3.67 0.17 0.00 -1.03 0.00 0.00 54.13 50.34 2wqt s LEU 116 Cb -0.33 -1.38 0.17 0.00 0.03 0.00 0.00 46.19 44.68 2wqt s LEU 116 CO 0.37 -0.11 1.50 1.55 0.23 0.00 0.00 176.35 179.89 2wqt h PRO 117 N 5.47 0.00 -6.33 1.29 0.13 -1.94 -3.37 132.00 127.26 2wqt h PRO 117 Ca 0.17 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.75 2wqt h PRO 117 Cb 0.79 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.90 2wqt h PRO 117 CO 0.64 0.42 0.72 0.00 -0.23 0.00 0.00 178.00 179.55 2wqt s ALA 118 N -3.05 3.51 -1.45 -0.56 0.00 -1.26 -4.82 121.76 114.12 2wqt s ALA 118 Ca 0.04 0.68 0.28 0.00 0.00 0.00 0.00 51.96 52.96 2wqt s ALA 118 Cb 0.08 -3.53 1.41 0.00 0.00 0.00 0.00 23.12 21.08 2wqt s ALA 118 CO 0.73 -0.77 1.95 0.25 0.00 0.00 0.00 175.76 177.92 2wqt n THR 119 N 4.59 0.09 -1.73 0.00 -2.24 -1.26 -3.12 114.28 110.61 2wqt n THR 119 Ca 0.11 0.02 0.05 0.00 -2.27 0.00 0.00 64.05 61.97 2wqt n THR 119 Cb 0.46 -0.57 0.18 0.00 -2.10 0.00 0.00 70.33 68.30 2wqt n THR 119 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2wqt n ASP 120 N -1.28 1.68 -4.67 3.42 3.85 -1.26 -4.77 116.55 113.51 2wqt n ASP 120 Ca 0.13 -3.64 -0.43 0.00 -0.71 0.00 0.00 54.79 50.14 2wqt n ASP 120 Cb 0.22 -0.49 -0.01 0.00 -1.35 0.00 0.00 41.12 39.48 2wqt n ASP 120 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2wqt n ILE 121 N -0.89 1.80 -3.96 2.12 3.06 -1.18 -4.99 119.36 115.32 2wqt n ILE 121 Ca 0.18 -0.45 -0.21 0.00 -2.50 0.00 0.00 62.75 59.77 2wqt n ILE 121 Cb 0.76 -1.45 -0.02 0.00 0.54 0.00 0.00 39.64 39.47 2wqt n ILE 121 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 2wqt s THR 122 N -0.90 5.10 0.25 9.51 -4.23 -1.26 -4.98 115.64 119.13 2wqt s THR 122 Ca 0.58 -1.04 -0.06 0.00 -1.18 0.00 0.00 61.69 59.99 2wqt s THR 122 Cb -0.61 -3.78 0.27 0.00 1.34 0.00 0.00 72.50 69.72 2wqt s THR 122 CO 0.60 -0.32 1.65 0.15 -0.54 0.00 0.00 174.62 176.15 2wqt h PHE 123 N 1.20 0.05 -0.11 3.99 3.57 -1.94 -0.83 116.94 122.87 2wqt h PHE 123 Ca -0.51 0.05 -0.11 0.00 3.53 0.00 0.00 57.97 60.93 2wqt h PHE 123 Cb 1.23 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 40.06 2wqt h PHE 123 CO 0.46 -0.21 -0.42 0.38 -2.23 0.00 0.00 178.31 176.30 2wqt h ASP 124 N 0.14 0.26 0.11 0.41 2.03 -2.00 -2.80 116.42 114.57 2wqt h ASP 124 Ca 0.43 -0.11 -0.14 0.00 -0.73 0.00 0.00 57.03 56.48 2wqt h ASP 124 Cb 0.76 -0.07 -0.01 0.00 -0.83 0.00 0.00 39.33 39.18 2wqt h ASP 124 CO -0.63 0.65 -0.48 -0.33 -1.03 0.00 0.00 179.24 177.41 2wqt h GLU 125 N 0.21 0.44 -0.61 4.15 5.08 -1.59 -2.85 114.58 119.41 2wqt h GLU 125 Ca 0.02 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.07 2wqt h GLU 125 Cb 0.82 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.07 2wqt h GLU 125 CO 0.06 0.83 0.14 1.25 -1.00 0.00 0.00 179.01 180.29 2wqt h LEU 126 N 0.35 0.91 -0.70 1.33 5.85 -1.13 -2.83 115.31 119.08 2wqt h LEU 126 Ca 0.02 -0.18 0.14 0.00 0.84 0.00 0.00 57.88 58.70 2wqt h LEU 126 Cb 0.98 -0.24 -0.10 0.00 0.37 0.00 0.00 40.66 41.67 2wqt h LEU 126 CO 0.09 0.88 0.20 1.88 -0.34 0.00 0.00 178.44 181.15 2wqt h TYR 127 N 0.92 0.32 0.00 1.25 0.05 -1.25 0.78 116.97 119.04 2wqt h TYR 127 Ca 0.20 0.04 0.00 0.00 0.05 0.00 0.00 58.73 59.01 2wqt h TYR 127 Cb 0.34 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.04 2wqt h TYR 127 CO 0.02 -0.03 0.00 -1.71 -1.05 0.00 0.00 178.16 175.40 2wqt n ASN 128 N -5.10 0.18 -0.36 3.88 2.85 -1.07 -2.68 115.26 112.95 2wqt n ASN 128 Ca 0.13 0.54 0.11 0.00 -0.11 0.00 0.00 54.58 55.25 2wqt n ASN 128 Cb 0.41 -0.58 0.05 0.00 1.24 0.00 0.00 39.78 40.90 2wqt n ASN 128 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2wqt n ALA 129 N -1.57 3.67 -2.66 5.20 0.00 0.26 -4.89 120.51 120.52 2wqt n ALA 129 Ca 0.03 -0.59 -0.41 0.00 0.00 0.00 0.00 53.44 52.47 2wqt n ALA 129 Cb 0.18 -0.86 -0.04 0.00 0.00 0.00 0.00 19.45 18.73 2wqt n ALA 129 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2wqt s ILE 130 N -2.58 4.87 -0.20 0.00 1.01 -1.09 -0.40 121.20 122.80 2wqt s ILE 130 Ca 0.18 1.59 -0.22 0.00 0.00 0.00 0.00 60.65 62.20 2wqt s ILE 130 Cb 0.18 -4.12 -0.19 0.00 0.01 0.00 0.00 42.46 38.33 2wqt s ILE 130 CO 0.62 -0.01 0.26 -0.08 0.00 0.00 0.00 174.94 175.72 2wqt h GLU 131 N 7.48 0.00 -4.55 2.79 4.81 -0.20 -3.44 114.58 121.47 2wqt h GLU 131 Ca -0.27 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.66 2wqt h GLU 131 Cb 1.11 0.00 -0.24 0.00 0.63 0.00 0.00 28.75 30.25 2wqt h GLU 131 CO 0.85 0.98 -0.75 -1.58 -0.73 0.00 0.00 179.01 177.78 2wqt s TRP 132 N -2.34 0.65 -0.10 0.92 0.52 -1.12 -4.59 118.94 112.88 2wqt s TRP 132 Ca -0.28 -0.34 0.04 0.00 0.02 0.00 0.00 56.10 55.54 2wqt s TRP 132 Cb 0.05 -0.40 -0.00 0.00 -1.15 0.00 0.00 33.47 31.97 2wqt s TRP 132 CO 0.59 -0.05 -0.23 0.54 0.02 0.00 0.00 176.95 177.83 2wqt s VAL 133 N -0.88 2.17 0.03 4.03 0.11 0.25 -1.33 120.40 124.79 2wqt s VAL 133 Ca -0.05 -0.99 -0.01 0.00 -2.93 0.00 0.00 61.98 58.01 2wqt s VAL 133 Cb -0.07 -1.83 -0.03 0.00 -1.53 0.00 0.00 36.38 32.92 2wqt s VAL 133 CO 0.00 0.56 -0.02 -1.48 -3.33 0.00 0.00 175.10 170.83 2wqt s LEU 134 N 0.27 2.28 0.29 2.54 2.34 -0.10 -1.44 118.68 124.86 2wqt s LEU 134 Ca -0.16 -0.66 -0.28 0.00 0.06 0.00 0.00 54.13 53.09 2wqt s LEU 134 Cb -0.17 0.18 -0.09 0.00 -0.56 0.00 0.00 46.19 45.54 2wqt s LEU 134 CO 0.08 -0.41 1.01 -2.16 -1.06 0.00 0.00 176.35 173.80 2wqt s PRO 135 N -2.34 4.64 0.04 1.48 0.04 -1.26 -0.39 135.00 137.21 2wqt s PRO 135 Ca -0.08 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.53 2wqt s PRO 135 Cb -0.04 -3.05 -0.03 0.00 0.04 0.00 0.00 34.50 31.42 2wqt s PRO 135 CO -0.04 0.28 -0.04 0.00 0.04 0.00 0.00 177.00 177.24 2wqt s ALA 136 N -1.33 0.36 -0.08 8.56 0.00 -0.08 -0.91 121.76 128.28 2wqt s ALA 136 Ca 0.46 -0.82 -0.00 0.00 0.00 0.00 0.00 51.96 51.60 2wqt s ALA 136 Cb -0.26 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 2wqt s ALA 136 CO 0.33 -0.19 -0.05 -0.51 0.00 0.00 0.00 175.76 175.34 2wqt s LEU 137 N -1.93 3.26 -0.20 0.00 1.43 -0.04 -0.54 118.68 120.66 2wqt s LEU 137 Ca -0.08 -0.00 -0.02 0.00 -1.03 0.00 0.00 54.13 53.00 2wqt s LEU 137 Cb -0.05 -1.73 -0.00 0.00 0.03 0.00 0.00 46.19 44.44 2wqt s LEU 137 CO -0.03 0.34 -0.08 -0.70 0.23 0.00 0.00 176.35 176.11 2wqt s GLU 138 N -0.69 3.32 -0.67 1.70 2.12 0.24 -0.76 118.70 123.96 2wqt s GLU 138 Ca 0.11 -0.67 -0.19 0.00 0.36 0.00 0.00 54.97 54.58 2wqt s GLU 138 Cb -0.11 -2.87 0.12 0.00 0.26 0.00 0.00 34.13 31.52 2wqt s GLU 138 CO 0.02 -0.12 0.80 0.08 -0.54 0.00 0.00 175.26 175.49 2wqt s VAL 139 N 1.24 4.84 0.50 3.70 1.01 -0.07 -1.26 120.40 130.36 2wqt s VAL 139 Ca 0.03 -1.17 -0.16 0.00 0.00 0.00 0.00 61.98 60.67 2wqt s VAL 139 Cb -0.14 -4.55 -0.08 0.00 0.00 0.00 0.00 36.38 31.61 2wqt s VAL 139 CO -0.03 -1.21 0.97 0.68 0.00 0.00 0.00 175.10 175.51 2wqt s VAL 140 N 2.57 4.54 0.09 2.92 -7.23 0.17 -1.65 120.40 121.80 2wqt s VAL 140 Ca 0.16 1.20 -0.05 0.00 -1.81 0.00 0.00 61.98 61.48 2wqt s VAL 140 Cb -0.19 -3.71 -0.02 0.00 0.56 0.00 0.00 36.38 33.02 2wqt s VAL 140 CO 0.03 -0.65 0.11 -0.83 -0.31 0.00 0.00 175.10 173.44 2wqt s GLY 141 N -3.01 0.38 -0.08 2.32 0.00 -0.25 -1.13 107.32 105.55 2wqt s GLY 141 Ca 0.59 -0.96 0.02 0.00 0.00 0.00 0.00 44.72 44.37 2wqt s GLY 141 CO 0.30 -1.06 -0.14 -0.45 0.00 0.00 0.00 173.10 171.75 2wqt s SER 142 N -2.92 2.10 0.00 1.64 0.15 -0.24 -4.24 113.70 110.18 2wqt s SER 142 Ca 0.09 -0.36 0.30 0.00 0.70 0.00 0.00 55.95 56.68 2wqt s SER 142 Cb 0.06 -0.96 1.41 0.00 -1.71 0.00 0.00 66.02 64.82 2wqt s SER 142 CO -0.08 0.04 1.95 0.54 1.20 0.00 0.00 173.24 176.89 2wqt n ARG 143 N 3.88 1.23 -4.18 5.44 3.00 -1.26 -4.50 116.66 120.26 2wqt n ARG 143 Ca -0.21 -0.46 -0.35 0.00 -0.01 0.00 0.00 57.85 56.82 2wqt n ARG 143 Cb 0.52 -1.49 -0.10 0.00 0.00 0.00 0.00 32.46 31.39 2wqt n ARG 143 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2wqt s ILE 144 N -2.09 4.53 -0.08 0.55 1.01 -1.26 -0.72 121.20 123.15 2wqt s ILE 144 Ca 0.40 -0.14 -0.37 0.00 0.00 0.00 0.00 60.65 60.54 2wqt s ILE 144 Cb 0.21 -2.99 -0.18 0.00 0.01 0.00 0.00 42.46 39.51 2wqt s ILE 144 CO 0.38 0.52 1.05 -1.14 0.00 0.00 0.00 174.94 175.75 2wqt n ARG 145 N 3.00 0.00 -3.03 2.79 0.63 0.50 -2.86 116.66 117.69 2wqt n ARG 145 Ca -0.18 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.58 2wqt n ARG 145 Cb 0.53 -1.36 -0.01 0.00 0.45 0.00 0.00 32.46 32.07 2wqt n ARG 145 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2wqt n ASP 146 N 1.75 -3.21 -2.00 6.15 8.00 -1.26 -0.88 116.55 125.10 2wqt n ASP 146 Ca 0.20 -0.13 -0.12 0.00 0.71 0.00 0.00 54.79 55.45 2wqt n ASP 146 Cb 0.05 -2.71 -0.02 0.00 -0.02 0.00 0.00 41.12 38.42 2wqt n ASP 146 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 2wqt n TRP 147 N -3.55 -1.04 -2.45 1.24 7.02 -1.14 -4.86 117.44 112.67 2wqt n TRP 147 Ca -0.04 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.05 2wqt n TRP 147 Cb 0.55 -2.56 -0.02 0.00 -2.42 0.00 0.00 31.31 26.86 2wqt n TRP 147 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2wqt s SER 148 N -2.01 6.30 -0.06 -0.99 0.15 -0.05 -4.93 113.70 112.09 2wqt s SER 148 Ca 0.00 -1.85 0.04 0.00 0.70 0.00 0.00 55.95 54.85 2wqt s SER 148 Cb 0.00 -2.58 -0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2wqt s SER 148 CO 0.00 -1.71 -0.20 -0.51 1.20 0.00 0.00 173.24 172.02 2wqt s ILE 149 N 6.05 1.67 0.49 6.45 1.10 -1.26 -4.78 121.20 130.91 2wqt s ILE 149 Ca 0.55 -0.83 0.06 0.00 -0.51 0.00 0.00 60.65 59.92 2wqt s ILE 149 Cb 0.01 -1.44 0.00 0.00 0.15 0.00 0.00 42.46 41.18 2wqt s ILE 149 CO 0.02 0.47 0.31 -1.10 -2.11 0.00 0.00 174.94 172.53 2wqt s GLN 150 N 0.15 2.29 0.17 3.50 -1.52 -1.26 -4.98 119.66 118.00 2wqt s GLN 150 Ca -0.09 -1.93 -0.22 0.00 -1.95 0.00 0.00 55.36 51.18 2wqt s GLN 150 Cb -0.14 -2.06 0.09 0.00 -0.22 0.00 0.00 33.01 30.68 2wqt s GLN 150 CO 0.04 -0.39 1.60 0.35 -0.25 0.00 0.00 175.29 176.64 2wqt h PHE 151 N 1.03 -0.86 -0.36 0.91 3.57 -1.89 -0.76 116.94 118.58 2wqt h PHE 151 Ca -0.40 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.15 2wqt h PHE 151 Cb 1.28 0.45 -0.02 0.00 2.79 0.00 0.00 35.95 40.45 2wqt h PHE 151 CO 0.86 -0.37 0.17 0.28 -2.23 0.00 0.00 178.31 177.02 2wqt h VAL 152 N -0.20 1.13 -0.11 1.41 2.07 -1.92 -2.15 116.25 116.47 2wqt h VAL 152 Ca 0.20 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 2wqt h VAL 152 Cb 0.53 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2wqt h VAL 152 CO -0.59 0.15 -0.02 0.44 0.02 0.00 0.00 177.57 177.57 2wqt h ASP 153 N 0.50 0.22 0.06 0.57 3.32 -1.54 -2.78 116.42 116.77 2wqt h ASP 153 Ca 0.13 -0.35 -0.00 0.00 0.02 0.00 0.00 57.03 56.82 2wqt h ASP 153 Cb 0.06 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2wqt h ASP 153 CO -0.02 0.52 -0.03 0.74 -1.72 0.00 0.00 179.24 178.73 2wqt h THR 154 N -0.09 1.02 -0.16 0.35 2.02 -1.16 -2.19 112.91 112.71 2wqt h THR 154 Ca 0.03 -0.24 0.04 0.00 0.77 0.00 0.00 66.41 67.01 2wqt h THR 154 Cb 0.42 1.18 -0.05 0.00 -1.74 0.00 0.00 68.15 67.96 2wqt h THR 154 CO 0.01 0.06 -0.14 0.58 0.37 0.00 0.00 175.52 176.40 2wqt h VAL 155 N -0.18 0.61 -1.00 3.16 2.07 -1.46 0.38 116.25 119.84 2wqt h VAL 155 Ca -0.01 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 2wqt h VAL 155 Cb 0.16 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 30.47 2wqt h VAL 155 CO 0.01 0.00 0.64 0.00 0.02 0.00 0.00 177.57 178.24 2wqt h ALA 156 N 0.94 1.45 -0.17 1.67 0.00 -1.50 -1.42 119.26 120.25 2wqt h ALA 156 Ca 0.10 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 2wqt h ALA 156 Cb 0.30 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 2wqt h ALA 156 CO -0.25 0.37 0.13 -3.47 0.00 0.00 0.00 179.25 176.03 2wqt n ASP 157 N -4.54 4.57 -3.78 0.00 4.64 -0.23 -3.78 116.55 113.44 2wqt n ASP 157 Ca 0.16 -2.48 -0.25 0.00 -1.38 0.00 0.00 54.79 50.85 2wqt n ASP 157 Cb 0.24 -0.86 0.03 0.00 -1.04 0.00 0.00 41.12 39.49 2wqt n ASP 157 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 2wqt n ASN 158 N 0.70 -2.71 -3.62 1.67 5.15 -0.54 -1.85 115.26 114.06 2wqt n ASN 158 Ca 0.10 -0.80 -0.27 0.00 -0.60 0.00 0.00 54.58 53.02 2wqt n ASN 158 Cb 0.60 -4.02 0.01 0.00 -0.53 0.00 0.00 39.78 35.84 2wqt n ASN 158 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wqt n ALA 159 N -4.46 -1.15 -4.05 5.20 0.00 0.12 -1.82 120.51 114.35 2wqt n ALA 159 Ca -0.16 0.14 -0.32 0.00 0.00 0.00 0.00 53.44 53.09 2wqt n ALA 159 Cb 0.62 -3.59 -0.00 0.00 0.00 0.00 0.00 19.45 16.48 2wqt n ALA 159 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2wqt n SER 160 N -2.54 -3.68 -4.77 0.00 7.64 -0.77 -4.88 113.62 104.62 2wqt n SER 160 Ca 0.01 -0.90 -0.37 0.00 1.01 0.00 0.00 58.87 58.61 2wqt n SER 160 Cb 0.54 -3.32 -0.01 0.00 -1.01 0.00 0.00 64.21 60.40 2wqt n SER 160 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wqt n GLY 162 N 0.44 0.66 3.24 0.00 0.00 -0.98 -4.16 105.19 104.40 2wqt n GLY 162 Ca 0.07 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 2wqt n GLY 162 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wqt s VAL 163 N 0.12 0.20 0.06 1.61 -7.23 -0.66 -4.89 120.40 109.61 2wqt s VAL 163 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 2wqt s VAL 163 Cb 0.00 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.35 2wqt s VAL 163 CO 0.00 0.00 -0.04 -0.72 -0.31 0.00 0.00 175.10 174.03 2wqt s TYR 164 N -4.00 0.63 -0.02 2.82 1.13 -0.18 -0.89 117.35 116.84 2wqt s TYR 164 Ca 0.39 -0.98 0.04 0.00 -1.41 0.00 0.00 57.07 55.10 2wqt s TYR 164 Cb 0.07 -0.42 -0.01 0.00 -1.10 0.00 0.00 41.96 40.50 2wqt s TYR 164 CO 0.13 -0.29 -0.13 0.54 -2.51 0.00 0.00 175.55 173.29 2wqt s VAL 165 N -3.63 1.02 -0.10 -3.49 0.11 0.06 -0.30 120.40 114.08 2wqt s VAL 165 Ca 0.07 -0.53 0.01 0.00 -2.93 0.00 0.00 61.98 58.59 2wqt s VAL 165 Cb 0.06 -0.87 -0.02 0.00 -1.53 0.00 0.00 36.38 34.02 2wqt s VAL 165 CO -0.08 0.29 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.25 2wqt s ILE 166 N -0.17 3.34 0.00 7.04 1.01 -0.76 -0.86 121.20 130.81 2wqt s ILE 166 Ca 0.02 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.09 2wqt s ILE 166 Cb -0.06 -2.38 0.00 0.00 0.01 0.00 0.00 42.46 40.03 2wqt s ILE 166 CO -0.00 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.11 2wqt n GLY 167 N 2.85 3.82 3.81 6.18 0.00 -0.09 -1.36 105.19 120.41 2wqt n GLY 167 Ca -0.18 -1.73 -0.05 0.00 0.00 0.00 0.00 46.02 44.06 2wqt n GLY 167 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wqt s GLY 168 N 0.00 -0.01 0.67 -0.02 0.00 -1.09 -4.65 107.32 102.22 2wqt s GLY 168 Ca 0.00 -0.21 -0.13 0.00 0.00 0.00 0.00 44.72 44.38 2wqt s GLY 168 CO 0.00 0.62 1.07 -4.14 0.00 0.00 0.00 173.10 170.65 2wqt s PRO 169 N -2.88 2.95 0.10 2.90 0.02 -1.25 -1.45 135.00 135.40 2wqt s PRO 169 Ca 0.15 1.11 -0.30 0.00 0.02 0.00 0.00 61.00 61.98 2wqt s PRO 169 Cb -0.03 -1.99 -0.07 0.00 0.02 0.00 0.00 34.50 32.44 2wqt s PRO 169 CO 0.05 -1.09 1.20 0.00 -0.33 0.00 0.00 177.00 176.83 2wqt s ALA 170 N -2.76 3.41 0.11 -1.55 0.00 -1.26 -4.65 121.76 115.06 2wqt s ALA 170 Ca 0.61 0.89 0.10 0.00 0.00 0.00 0.00 51.96 53.56 2wqt s ALA 170 Cb -0.16 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 2wqt s ALA 170 CO 0.48 -0.41 -0.24 -0.65 0.00 0.00 0.00 175.76 174.93 2wqt s GLN 171 N 0.63 1.60 0.32 0.00 -1.52 -0.52 -4.97 119.66 115.19 2wqt s GLN 171 Ca 0.57 -1.25 -0.19 0.00 -1.95 0.00 0.00 55.36 52.54 2wqt s GLN 171 Cb -0.31 -1.98 -0.09 0.00 -0.22 0.00 0.00 33.01 30.41 2wqt s GLN 171 CO 0.32 0.47 0.81 1.03 -0.25 0.00 0.00 175.29 177.67 2wqt s ARG 172 N -1.90 4.21 0.41 2.91 1.81 -1.26 -0.58 118.95 124.54 2wqt s ARG 172 Ca 0.15 0.92 0.15 0.00 -1.72 0.00 0.00 55.73 55.22 2wqt s ARG 172 Cb -0.10 -2.56 0.87 0.00 -0.45 0.00 0.00 34.95 32.70 2wqt s ARG 172 CO 0.06 0.20 1.90 -1.00 -0.68 0.00 0.00 175.30 175.78 2wqt h PRO 173 N 2.65 0.00 -6.31 3.54 0.13 -1.84 -3.41 132.00 126.75 2wqt h PRO 173 Ca -0.48 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.08 2wqt h PRO 173 Cb 1.18 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.33 2wqt h PRO 173 CO 0.64 0.29 1.19 0.00 -0.23 0.00 0.00 178.00 179.89 2wqt n ALA 174 N -2.46 1.29 0.00 -0.56 0.00 -1.26 -1.53 120.51 115.99 2wqt n ALA 174 Ca -0.02 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2wqt n ALA 174 Cb 0.34 -2.61 0.00 0.00 0.00 0.00 0.00 19.45 17.18 2wqt n ALA 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wqt n GLY 175 N 4.54 2.08 3.73 0.00 0.00 -1.26 -5.02 105.19 109.26 2wqt n GLY 175 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2wqt n GLY 175 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wqt s LEU 176 N 0.00 4.40 -0.59 0.99 1.43 -0.58 -4.98 118.68 119.34 2wqt s LEU 176 Ca 0.00 2.28 -0.23 0.00 -1.03 0.00 0.00 54.13 55.14 2wqt s LEU 176 Cb 0.00 -3.60 0.05 0.00 0.03 0.00 0.00 46.19 42.68 2wqt s LEU 176 CO 0.00 -0.53 0.92 -0.62 0.23 0.00 0.00 176.35 176.36 2wqt s ASP 177 N 0.68 6.26 0.05 2.29 3.68 -1.26 -4.87 116.67 123.51 2wqt s ASP 177 Ca 0.59 -0.65 0.23 0.00 2.13 0.00 0.00 52.55 54.85 2wqt s ASP 177 Cb -0.35 -2.42 0.02 0.00 -1.45 0.00 0.00 42.92 38.72 2wqt s ASP 177 CO 0.34 -1.28 0.99 0.18 0.13 0.00 0.00 175.17 175.52 2wqt n LEU 178 N 7.46 0.60 -0.08 -1.34 4.77 -1.26 -4.26 117.00 122.88 2wqt n LEU 178 Ca -0.01 -0.01 -0.18 0.00 -0.03 0.00 0.00 56.01 55.77 2wqt n LEU 178 Cb 0.46 -0.09 -0.12 0.00 -2.33 0.00 0.00 43.42 41.35 2wqt n LEU 178 CO 0.63 0.03 -0.11 0.50 -1.33 0.00 0.00 177.39 177.11 2wqt h LYS 179 N 0.00 0.01 -0.95 3.23 3.64 -1.92 -3.40 116.57 117.19 2wqt h LYS 179 Ca 0.00 -0.02 -0.61 0.00 -1.27 0.00 0.00 60.65 58.75 2wqt h LYS 179 Cb 0.75 0.01 -0.30 0.00 -0.41 0.00 0.00 32.23 32.28 2wqt h LYS 179 CO 0.00 1.01 0.63 0.09 -2.27 0.00 0.00 179.45 178.91 2wqt n ASN 180 N -4.49 6.35 -4.46 4.20 4.13 -1.26 -2.29 115.26 117.44 2wqt n ASN 180 Ca -0.22 -3.75 -0.43 0.00 1.68 0.00 0.00 54.58 51.86 2wqt n ASN 180 Cb 0.60 -0.88 -0.04 0.00 -1.54 0.00 0.00 39.78 37.92 2wqt n ASN 180 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2wqt s ALA 182 N 3.67 3.29 -0.07 0.00 0.00 -1.26 -2.69 121.76 124.69 2wqt s ALA 182 Ca 0.22 1.09 0.04 0.00 0.00 0.00 0.00 51.96 53.31 2wqt s ALA 182 Cb -0.17 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.53 2wqt s ALA 182 CO 0.12 -0.58 -0.18 1.41 0.00 0.00 0.00 175.76 176.54 2wqt s MET 183 N -2.06 2.16 -0.04 0.00 0.00 -0.05 -0.73 119.30 118.57 2wqt s MET 183 Ca 0.54 -0.63 0.05 0.00 0.00 0.00 0.00 55.69 55.65 2wqt s MET 183 Cb -0.35 -1.74 -0.01 0.00 0.00 0.00 0.00 34.83 32.73 2wqt s MET 183 CO 0.45 0.15 -0.20 0.15 0.00 0.00 0.00 175.02 175.57 2wqt s LYS 184 N 0.34 2.01 -0.06 4.11 -0.14 -0.86 -2.15 119.74 123.00 2wqt s LYS 184 Ca -0.12 -0.72 0.04 0.00 -1.36 0.00 0.00 55.97 53.81 2wqt s LYS 184 Cb -0.15 -1.75 0.00 0.00 -1.68 0.00 0.00 37.83 34.25 2wqt s LYS 184 CO 0.05 0.31 -0.18 1.41 -0.76 0.00 0.00 175.35 176.18 2wqt s MET 185 N -0.09 2.03 0.05 1.68 1.75 -0.31 -0.47 119.30 123.94 2wqt s MET 185 Ca -0.02 -0.63 0.05 0.00 -1.25 0.00 0.00 55.69 53.84 2wqt s MET 185 Cb -0.12 -1.68 -0.04 0.00 2.84 0.00 0.00 34.83 35.83 2wqt s MET 185 CO 0.02 0.19 -0.09 0.95 -0.65 0.00 0.00 175.02 175.45 2wqt s THR 186 N 0.23 3.47 -0.16 10.11 -4.23 0.30 -0.86 115.64 124.50 2wqt s THR 186 Ca -0.09 -1.03 -0.01 0.00 -1.18 0.00 0.00 61.69 59.38 2wqt s THR 186 Cb -0.14 -2.56 -0.01 0.00 1.34 0.00 0.00 72.50 71.13 2wqt s THR 186 CO 0.04 0.26 -0.10 -0.60 -0.54 0.00 0.00 174.62 173.67 2wqt s ARG 187 N -1.80 3.38 -1.65 3.99 3.52 -0.35 -1.81 118.95 124.23 2wqt s ARG 187 Ca 0.19 -0.67 -0.10 0.00 -0.13 0.00 0.00 55.73 55.02 2wqt s ARG 187 Cb -0.11 -2.75 0.10 0.00 -1.56 0.00 0.00 34.95 30.63 2wqt s ARG 187 CO 0.11 0.08 0.40 0.09 -0.81 0.00 0.00 175.30 175.16 2wqt n ASN 188 N 3.94 -0.90 -0.02 -2.12 3.02 0.17 -1.69 115.26 117.66 2wqt n ASN 188 Ca -0.18 -1.17 -0.00 0.00 -0.03 0.00 0.00 54.58 53.20 2wqt n ASN 188 Cb 0.52 -2.11 -0.00 0.00 -0.61 0.00 0.00 39.78 37.58 2wqt n ASN 188 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2wqt n ASN 189 N -2.75 -3.30 -4.12 6.41 3.02 -1.26 -5.04 115.26 108.22 2wqt n ASN 189 Ca -0.12 0.01 -0.23 0.00 -0.03 0.00 0.00 54.58 54.20 2wqt n ASN 189 Cb 0.59 -0.83 -0.15 0.00 -0.61 0.00 0.00 39.78 38.78 2wqt n ASN 189 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2wqt s GLU 190 N -0.45 1.22 0.19 3.52 -1.05 -0.68 -5.03 118.70 116.41 2wqt s GLU 190 Ca 0.00 -0.53 -0.32 0.00 -0.15 0.00 0.00 54.97 53.97 2wqt s GLU 190 Cb 0.00 -1.17 -0.12 0.00 -0.44 0.00 0.00 34.13 32.40 2wqt s GLU 190 CO 0.00 0.31 1.71 -1.91 0.95 0.00 0.00 175.26 176.33 2wqt n GLU 191 N 2.73 2.66 0.00 -4.83 2.13 -1.26 -1.21 120.64 120.86 2wqt n GLU 191 Ca -0.14 0.96 0.00 0.00 0.66 0.00 0.00 57.16 58.64 2wqt n GLU 191 Cb 0.55 -2.80 0.00 0.00 0.27 0.00 0.00 31.44 29.46 2wqt n GLU 191 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 2wqt n VAL 192 N 3.96 0.00 -3.54 6.31 0.24 -0.04 -4.87 118.33 120.39 2wqt n VAL 192 Ca 0.16 -0.14 -0.16 0.00 -2.04 0.00 0.00 64.34 62.17 2wqt n VAL 192 Cb 0.34 0.62 -0.06 0.00 -1.47 0.00 0.00 33.84 33.27 2wqt n VAL 192 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2wqt s SER 193 N -0.94 -0.58 0.21 -1.34 0.15 -1.15 -4.95 113.70 105.10 2wqt s SER 193 Ca 0.00 0.50 -0.21 0.00 0.70 0.00 0.00 55.95 56.94 2wqt s SER 193 Cb 0.00 0.52 0.04 0.00 -1.71 0.00 0.00 66.02 64.87 2wqt s SER 193 CO 0.00 -0.66 0.63 -0.94 1.20 0.00 0.00 173.24 173.47 2wqt s SER 194 N -1.51 -0.39 0.00 5.45 1.04 -1.26 -1.16 113.70 115.87 2wqt s SER 194 Ca -0.09 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.01 2wqt s SER 194 Cb -0.01 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.76 2wqt s SER 194 CO 0.05 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 173.75 2wqt n GLY 195 N -0.40 -0.63 3.59 7.32 0.00 -0.91 -4.38 105.19 109.78 2wqt n GLY 195 Ca -0.11 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.25 2wqt n GLY 195 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wqt s ARG 196 N -0.61 1.29 0.46 1.61 1.70 -1.00 -0.87 118.95 121.53 2wqt s ARG 196 Ca 0.00 -0.58 0.23 0.00 -0.47 0.00 0.00 55.73 54.90 2wqt s ARG 196 Cb 0.00 0.53 1.23 0.00 -0.57 0.00 0.00 34.95 36.13 2wqt s ARG 196 CO 0.00 -0.58 1.84 0.78 -1.08 0.00 0.00 175.30 176.27 2wqt h GLY 197 N 2.00 0.64 2.00 3.88 0.00 -1.42 -1.66 103.07 108.51 2wqt h GLY 197 Ca -0.27 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 46.94 2wqt h GLY 197 CO 0.31 -0.03 0.00 1.48 0.00 0.00 0.00 176.54 178.30 2wqt h SER 198 N 0.26 0.00 1.09 0.19 4.64 -1.63 -2.48 113.55 115.62 2wqt h SER 198 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 2wqt h SER 198 Cb 1.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 2wqt h SER 198 CO -0.14 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 175.49 2wqt h GLU 199 N 0.00 0.00 -3.53 4.77 5.08 -1.58 -2.50 114.58 116.82 2wqt h GLU 199 Ca 0.00 0.00 -0.80 0.00 -1.00 0.00 0.00 59.36 57.56 2wqt h GLU 199 Cb 0.38 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 29.36 2wqt h GLU 199 CO 0.00 0.00 0.63 0.00 -1.00 0.00 0.00 179.01 178.64 2wqt n LEU 201 N 2.68 -1.95 0.00 0.00 4.77 -0.85 -1.97 117.00 119.68 2wqt n LEU 201 Ca 0.26 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2wqt n LEU 201 Cb 0.38 -2.47 0.00 0.00 -2.33 0.00 0.00 43.42 39.00 2wqt n LEU 201 CO 0.54 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 2wqt n GLY 202 N -1.27 2.71 3.65 -0.72 0.00 -0.94 -4.76 105.19 103.85 2wqt n GLY 202 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 2wqt n GLY 202 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wqt s HIS 203 N -0.88 -0.29 0.48 1.61 5.65 -0.83 -4.23 115.29 116.80 2wqt s HIS 203 Ca 0.00 0.60 0.22 0.00 0.25 0.00 0.00 55.06 56.13 2wqt s HIS 203 Cb 0.00 0.23 1.25 0.00 -1.18 0.00 0.00 32.58 32.88 2wqt s HIS 203 CO 0.00 -0.14 1.93 -1.35 -0.65 0.00 0.00 174.74 174.53 2wqt h PRO 204 N 5.22 0.19 0.00 2.88 0.11 -1.67 0.49 132.00 139.22 2wqt h PRO 204 Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2wqt h PRO 204 Cb 1.18 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2wqt h PRO 204 CO 0.21 0.13 0.00 -0.07 -0.21 0.00 0.00 178.00 178.05 2wqt h LEU 205 N 0.20 0.00 -0.52 2.35 3.38 -1.93 -2.55 115.31 116.23 2wqt h LEU 205 Ca 0.35 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.23 2wqt h LEU 205 Cb 1.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 2wqt h LEU 205 CO -0.07 0.00 -0.02 0.78 0.09 0.00 0.00 178.44 179.23 2wqt h ASN 206 N 0.00 0.92 -0.56 -0.43 2.35 -1.19 0.86 115.58 117.52 2wqt h ASN 206 Ca 0.00 -0.32 -0.01 0.00 -0.55 0.00 0.00 56.30 55.42 2wqt h ASN 206 Cb 0.56 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.66 2wqt h ASN 206 CO 0.00 1.01 0.29 0.00 -1.65 0.00 0.00 177.43 177.08 2wqt h ALA 207 N 0.94 0.72 -0.70 -0.83 0.00 -1.50 -0.04 119.26 117.85 2wqt h ALA 207 Ca 0.15 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2wqt h ALA 207 Cb 0.55 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2wqt h ALA 207 CO 0.03 0.26 0.29 0.00 0.00 0.00 0.00 179.25 179.82 2wqt h ALA 208 N 1.13 0.91 0.10 0.00 0.00 -1.31 -1.20 119.26 118.88 2wqt h ALA 208 Ca 0.20 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2wqt h ALA 208 Cb 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2wqt h ALA 208 CO -0.03 0.52 -0.05 0.28 0.00 0.00 0.00 179.25 179.98 2wqt h VAL 209 N 1.00 1.00 -0.63 0.00 2.07 -0.54 -0.01 116.25 119.14 2wqt h VAL 209 Ca 0.23 -0.34 0.12 0.00 0.82 0.00 0.00 66.70 67.54 2wqt h VAL 209 Cb 0.20 1.22 -0.09 0.00 -1.52 0.00 0.00 31.29 31.09 2wqt h VAL 209 CO -0.02 0.08 0.14 -0.25 0.02 0.00 0.00 177.57 177.55 2wqt h TRP 210 N -0.28 0.23 -0.08 1.57 7.01 -0.89 -1.82 115.95 121.68 2wqt h TRP 210 Ca -0.01 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.01 2wqt h TRP 210 Cb 0.24 -0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.29 2wqt h TRP 210 CO -0.02 -0.03 0.01 1.25 -2.79 0.00 0.00 178.44 176.85 2wqt h LEU 211 N 0.27 0.14 -0.81 0.65 5.85 -0.98 -2.20 115.31 118.22 2wqt h LEU 211 Ca 0.33 -0.29 0.14 0.00 0.84 0.00 0.00 57.88 58.90 2wqt h LEU 211 Cb 0.51 -0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.41 2wqt h LEU 211 CO -0.42 0.39 0.40 0.00 -0.34 0.00 0.00 178.44 178.47 2wqt h ALA 212 N 0.75 1.18 0.06 1.25 0.00 -0.60 -0.66 119.26 121.24 2wqt h ALA 212 Ca 0.02 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2wqt h ALA 212 Cb 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2wqt h ALA 212 CO 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 179.25 179.12 2wqt h ARG 213 N 0.59 -0.07 -0.14 0.00 3.08 -1.25 -1.84 114.38 114.74 2wqt h ARG 213 Ca 0.43 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.54 2wqt h ARG 213 Cb 0.60 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.60 2wqt h ARG 213 CO -0.35 0.22 -0.34 0.87 -1.07 0.00 0.00 179.97 179.30 2wqt h LYS 214 N -0.37 -0.40 -0.82 0.04 1.79 -0.95 -0.79 116.57 115.07 2wqt h LYS 214 Ca -0.01 0.03 0.04 0.00 -2.18 0.00 0.00 60.65 58.53 2wqt h LYS 214 Cb 0.33 0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 31.02 2wqt h LYS 214 CO 0.01 -0.26 0.52 0.52 -1.08 0.00 0.00 179.45 179.16 2wqt h MET 215 N -0.41 0.97 -0.62 3.15 2.86 -1.13 -0.28 114.93 119.47 2wqt h MET 215 Ca 0.10 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 2wqt h MET 215 Cb 0.56 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 2wqt h MET 215 CO -0.37 0.64 0.27 0.00 1.06 0.00 0.00 176.91 178.51 2wqt h ALA 216 N 1.36 0.80 0.00 6.32 0.00 -0.96 -0.98 119.26 125.79 2wqt h ALA 216 Ca 0.34 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2wqt h ALA 216 Cb 0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2wqt h ALA 216 CO -0.13 0.39 -0.02 0.66 0.00 0.00 0.00 179.25 180.15 2wqt h SER 217 N 0.86 0.00 0.29 0.00 4.64 -0.27 -2.34 113.55 116.73 2wqt h SER 217 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2wqt h SER 217 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2wqt h SER 217 CO -0.02 0.02 -0.02 0.18 -0.87 0.00 0.00 176.83 176.11 2wqt n LEU 218 N -3.11 0.16 -0.40 5.97 4.32 -0.20 -4.91 117.00 118.84 2wqt n LEU 218 Ca 0.03 0.09 -0.05 0.00 -0.02 0.00 0.00 56.01 56.05 2wqt n LEU 218 Cb 0.45 -0.15 -0.02 0.00 -1.62 0.00 0.00 43.42 42.08 2wqt n LEU 218 CO 0.32 0.03 -0.05 0.61 -1.22 0.00 0.00 177.39 177.07 2wqt n GLY 219 N 1.17 0.76 2.51 -0.72 0.00 -0.88 -4.97 105.19 103.07 2wqt n GLY 219 Ca 0.18 -0.53 -0.26 0.00 0.00 0.00 0.00 46.02 45.41 2wqt n GLY 219 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wqt n GLU 220 N -2.48 2.41 -1.71 1.61 1.02 -0.40 -5.03 120.64 116.05 2wqt n GLU 220 Ca -0.05 -4.48 -0.38 0.00 -0.02 0.00 0.00 57.16 52.23 2wqt n GLU 220 Cb 0.22 -2.10 0.06 0.00 -0.02 0.00 0.00 31.44 29.59 2wqt n GLU 220 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2wqt n PRO 221 N 0.61 1.30 -1.81 3.49 -0.02 -1.20 -4.42 135.00 132.96 2wqt n PRO 221 Ca 0.29 0.49 -0.41 0.00 -2.02 0.00 0.00 63.50 61.85 2wqt n PRO 221 Cb 0.43 -2.47 -0.01 0.00 -0.02 0.00 0.00 33.50 31.43 2wqt n PRO 221 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wqt s LEU 222 N -3.50 4.34 0.15 2.45 1.43 -1.26 -4.87 118.68 117.43 2wqt s LEU 222 Ca 0.77 2.94 0.01 0.00 -1.03 0.00 0.00 54.13 56.82 2wqt s LEU 222 Cb -0.40 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.14 2wqt s LEU 222 CO 0.45 -0.88 0.30 -0.13 0.23 0.00 0.00 176.35 176.31 2wqt s ARG 223 N -0.77 3.46 0.27 1.70 0.52 -1.26 -1.16 118.95 121.70 2wqt s ARG 223 Ca 0.61 -0.52 -0.30 0.00 -0.52 0.00 0.00 55.73 54.99 2wqt s ARG 223 Cb -0.47 -2.95 -0.13 0.00 0.52 0.00 0.00 34.95 31.92 2wqt s ARG 223 CO 0.50 0.51 1.36 -2.37 0.02 0.00 0.00 175.30 175.32 2wqt n THR 224 N -0.46 1.26 0.00 0.02 5.66 -1.23 -2.06 114.28 117.46 2wqt n THR 224 Ca -0.06 -0.31 0.00 0.00 -3.05 0.00 0.00 64.05 60.62 2wqt n THR 224 Cb 0.54 -1.47 0.00 0.00 -1.55 0.00 0.00 70.33 67.84 2wqt n THR 224 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2wqt n GLY 225 N 1.77 2.17 3.75 1.09 0.00 -0.26 -4.92 105.19 108.79 2wqt n GLY 225 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 2wqt n GLY 225 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wqt s ASP 226 N -1.77 5.11 -0.11 1.61 -0.00 -0.88 -4.65 116.67 115.99 2wqt s ASP 226 Ca 0.00 2.73 -0.04 0.00 -0.00 0.00 0.00 52.55 55.24 2wqt s ASP 226 Cb 0.00 -2.63 -0.04 0.00 -0.00 0.00 0.00 42.92 40.25 2wqt s ASP 226 CO 0.00 -1.68 0.05 -0.51 -0.00 0.00 0.00 175.17 173.03 2wqt s ILE 227 N -1.33 4.70 -0.16 0.77 2.07 -0.23 -2.29 121.20 124.74 2wqt s ILE 227 Ca 0.74 -0.09 0.01 0.00 -1.41 0.00 0.00 60.65 59.90 2wqt s ILE 227 Cb -0.40 -3.02 0.02 0.00 0.13 0.00 0.00 42.46 39.19 2wqt s ILE 227 CO 0.46 0.59 -0.18 -0.63 -1.91 0.00 0.00 174.94 173.27 2wqt s ILE 228 N -0.71 1.85 -0.33 2.00 1.01 0.66 -1.95 121.20 123.73 2wqt s ILE 228 Ca 0.12 -0.81 -0.21 0.00 0.00 0.00 0.00 60.65 59.75 2wqt s ILE 228 Cb -0.12 -1.69 -0.00 0.00 0.01 0.00 0.00 42.46 40.66 2wqt s ILE 228 CO 0.02 0.51 0.67 -0.76 0.00 0.00 0.00 174.94 175.38 2wqt s LEU 229 N 1.34 4.18 0.00 2.97 1.43 -0.72 -0.99 118.68 126.88 2wqt s LEU 229 Ca 0.04 0.34 0.29 0.00 -1.03 0.00 0.00 54.13 53.77 2wqt s LEU 229 Cb -0.13 -2.85 1.33 0.00 0.03 0.00 0.00 46.19 44.57 2wqt s LEU 229 CO -0.11 -0.56 1.90 0.35 0.23 0.00 0.00 176.35 178.16 2wqt n THR 230 N 5.53 0.00 0.00 5.49 -2.24 -0.78 -0.28 114.28 121.99 2wqt n THR 230 Ca -0.00 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2wqt n THR 230 Cb 0.49 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 2wqt n THR 230 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wqt n GLY 231 N 1.11 3.01 3.74 3.38 0.00 -1.22 -4.75 105.19 110.46 2wqt n GLY 231 Ca 0.21 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 2wqt n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wqt s ALA 232 N -2.95 3.65 -0.22 4.61 0.00 -1.26 -4.36 121.76 121.22 2wqt s ALA 232 Ca 0.00 1.31 0.19 0.00 0.00 0.00 0.00 51.96 53.46 2wqt s ALA 232 Cb 0.00 -3.56 0.06 0.00 0.00 0.00 0.00 23.12 19.61 2wqt s ALA 232 CO 0.00 -0.73 1.24 -0.07 0.00 0.00 0.00 175.76 176.20 2wqt h LEU 233 N 5.49 0.00 -8.24 0.00 3.38 -1.34 -3.40 115.31 111.20 2wqt h LEU 233 Ca -0.45 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.41 2wqt h LEU 233 Cb 1.21 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.91 2wqt h LEU 233 CO 0.81 0.32 0.01 -0.83 0.09 0.00 0.00 178.44 178.84 2wqt s GLY 234 N -4.47 0.74 0.45 0.83 0.00 -1.26 -2.39 107.32 101.22 2wqt s GLY 234 Ca 0.02 -1.00 -0.25 0.00 0.00 0.00 0.00 44.72 43.50 2wqt s GLY 234 CO 0.76 -0.60 1.35 -4.14 0.00 0.00 0.00 173.10 170.47 2wqt s PRO 235 N -3.17 3.72 0.63 2.90 0.02 -1.26 -4.69 135.00 133.15 2wqt s PRO 235 Ca 0.22 2.25 -0.14 0.00 0.02 0.00 0.00 61.00 63.34 2wqt s PRO 235 Cb -0.02 -2.62 -0.02 0.00 0.02 0.00 0.00 34.50 31.86 2wqt s PRO 235 CO 0.13 -0.73 1.06 0.00 -0.33 0.00 0.00 177.00 177.14 2wqt s MET 236 N -2.45 3.16 0.09 5.54 0.23 -1.26 -4.81 119.30 119.79 2wqt s MET 236 Ca 0.61 1.14 0.05 0.00 -1.03 0.00 0.00 55.69 56.46 2wqt s MET 236 Cb -0.40 -2.01 -0.03 0.00 -1.53 0.00 0.00 34.83 30.85 2wqt s MET 236 CO 0.51 -0.93 -0.12 0.14 -2.03 0.00 0.00 175.02 172.58 2wqt s VAL 237 N -2.62 1.05 0.26 5.16 -7.23 -0.67 -4.95 120.40 111.40 2wqt s VAL 237 Ca 0.62 -1.47 -0.29 0.00 -1.81 0.00 0.00 61.98 59.03 2wqt s VAL 237 Cb -0.16 -1.20 -0.09 0.00 0.56 0.00 0.00 36.38 35.49 2wqt s VAL 237 CO 0.42 -0.38 1.19 0.00 -0.31 0.00 0.00 175.10 176.02 2wqt s ALA 238 N -1.80 3.44 -0.16 1.32 0.00 -1.26 -1.69 121.76 121.60 2wqt s ALA 238 Ca 0.02 1.01 -0.14 0.00 0.00 0.00 0.00 51.96 52.84 2wqt s ALA 238 Cb -0.07 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.61 2wqt s ALA 238 CO 0.02 -0.35 0.30 0.08 0.00 0.00 0.00 175.76 175.80 2wqt s VAL 239 N -0.76 5.30 0.20 0.00 1.01 -0.68 -4.89 120.40 120.57 2wqt s VAL 239 Ca 0.49 0.55 0.09 0.00 0.00 0.00 0.00 61.98 63.11 2wqt s VAL 239 Cb -0.34 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 2wqt s VAL 239 CO 0.42 0.38 -0.08 0.20 0.00 0.00 0.00 175.10 176.02 2wqt s ASN 240 N 0.51 4.30 0.15 3.32 0.02 -1.26 -4.72 114.94 117.26 2wqt s ASN 240 Ca 0.16 -0.60 -0.33 0.00 -1.02 0.00 0.00 52.86 51.07 2wqt s ASN 240 Cb -0.13 -0.74 -0.16 0.00 0.02 0.00 0.00 41.25 40.24 2wqt s ASN 240 CO 0.04 0.08 1.04 0.00 0.02 0.00 0.00 177.10 178.28 2wqt n ALA 241 N -0.17 -1.54 -0.03 0.60 0.00 -1.26 -1.62 120.51 116.49 2wqt n ALA 241 Ca -0.10 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2wqt n ALA 241 Cb 0.56 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 18.09 2wqt n ALA 241 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wqt n GLY 242 N 1.89 2.75 3.78 0.00 0.00 0.18 -4.98 105.19 108.81 2wqt n GLY 242 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2wqt n GLY 242 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wqt s ASP 243 N -3.84 6.33 -0.22 1.61 -0.00 -0.64 -4.61 116.67 115.30 2wqt s ASP 243 Ca 0.00 3.05 -0.02 0.00 -0.00 0.00 0.00 52.55 55.58 2wqt s ASP 243 Cb 0.00 -2.66 0.01 0.00 -0.00 0.00 0.00 42.92 40.26 2wqt s ASP 243 CO 0.00 -0.90 -0.08 -0.60 -0.00 0.00 0.00 175.17 173.59 2wqt s ARG 244 N -1.87 3.18 -0.04 8.23 3.52 -1.26 -0.91 118.95 129.80 2wqt s ARG 244 Ca 0.54 -0.74 -0.01 0.00 -0.13 0.00 0.00 55.73 55.39 2wqt s ARG 244 Cb -0.47 -2.90 -0.04 0.00 -1.56 0.00 0.00 34.95 29.98 2wqt s ARG 244 CO 0.61 -0.24 0.05 -0.06 -0.81 0.00 0.00 175.30 174.85 2wqt s PHE 245 N 1.40 3.24 -0.07 5.12 0.40 0.66 -0.66 117.98 128.07 2wqt s PHE 245 Ca 0.05 0.21 -0.03 0.00 -0.60 0.00 0.00 56.93 56.56 2wqt s PHE 245 Cb -0.14 -1.76 0.04 0.00 0.51 0.00 0.00 43.02 41.67 2wqt s PHE 245 CO -0.06 0.53 0.14 -2.00 0.70 0.00 0.00 175.22 174.53 2wqt s GLU 246 N -1.37 0.09 -0.01 0.44 2.12 -0.75 -1.21 118.70 118.01 2wqt s GLU 246 Ca 0.18 0.37 0.07 0.00 0.36 0.00 0.00 54.97 55.96 2wqt s GLU 246 Cb -0.12 -0.18 -0.02 0.00 0.26 0.00 0.00 34.13 34.07 2wqt s GLU 246 CO 0.09 -0.17 -0.22 0.00 -0.54 0.00 0.00 175.26 174.42 2wqt s ALA 247 N 1.18 2.36 -0.13 6.30 0.00 0.01 -0.54 121.76 130.94 2wqt s ALA 247 Ca -0.09 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 50.76 2wqt s ALA 247 Cb -0.12 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 2wqt s ALA 247 CO -0.06 0.54 -0.17 -1.01 0.00 0.00 0.00 175.76 175.06 2wqt s HIS 248 N -0.72 2.72 -0.25 0.00 3.76 0.38 -1.78 115.29 119.41 2wqt s HIS 248 Ca 0.11 -0.92 -0.00 0.00 -0.15 0.00 0.00 55.06 54.10 2wqt s HIS 248 Cb -0.10 -1.82 0.04 0.00 1.11 0.00 0.00 32.58 31.81 2wqt s HIS 248 CO 0.01 -0.37 -0.09 0.42 -0.85 0.00 0.00 174.74 173.86 2wqt s ILE 249 N 0.52 2.59 0.03 0.60 1.01 0.56 -2.03 121.20 124.48 2wqt s ILE 249 Ca -0.11 -1.22 -0.34 0.00 0.00 0.00 0.00 60.65 58.98 2wqt s ILE 249 Cb -0.16 -2.36 -0.13 0.00 0.01 0.00 0.00 42.46 39.82 2wqt s ILE 249 CO 0.04 0.15 1.74 1.21 0.00 0.00 0.00 174.94 178.09 2wqt n GLU 250 N 4.59 2.20 -0.32 2.79 2.13 0.09 -1.34 120.64 130.79 2wqt n GLU 250 Ca -0.16 0.80 0.00 0.00 0.66 0.00 0.00 57.16 58.46 2wqt n GLU 250 Cb 0.46 -2.62 0.00 0.00 0.27 0.00 0.00 31.44 29.55 2wqt n GLU 250 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wqt n GLY 251 N 3.95 1.83 0.91 8.31 0.00 -1.26 -4.52 105.19 114.42 2wqt n GLY 251 Ca 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.19 2wqt n GLY 251 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2wqt n ILE 252 N -2.00 0.66 -0.86 -0.61 5.41 -0.49 -4.85 119.36 116.61 2wqt n ILE 252 Ca 0.00 0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.89 2wqt n ILE 252 Cb 0.00 -1.61 0.00 0.00 -0.71 0.00 0.00 39.64 37.32 2wqt n ILE 252 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2wqt n GLY 253 N 2.99 -0.13 3.15 7.39 0.00 -0.45 -3.95 105.19 114.18 2wqt n GLY 253 Ca -0.05 -1.10 -0.09 0.00 0.00 0.00 0.00 46.02 44.78 2wqt n GLY 253 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wqt s SER 254 N -4.00 0.16 0.02 1.61 1.04 -0.53 -0.32 113.70 111.68 2wqt s SER 254 Ca 0.00 -0.56 0.02 0.00 0.48 0.00 0.00 55.95 55.90 2wqt s SER 254 Cb 0.00 0.26 -0.02 0.00 0.10 0.00 0.00 66.02 66.37 2wqt s SER 254 CO 0.00 -0.57 -0.08 -0.69 0.98 0.00 0.00 173.24 172.88 2wqt s VAL 255 N -2.96 0.59 0.03 5.02 1.01 -0.73 -2.65 120.40 120.71 2wqt s VAL 255 Ca -0.02 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.28 2wqt s VAL 255 Cb 0.01 -0.57 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 2wqt s VAL 255 CO -0.06 -0.10 -0.08 0.00 0.00 0.00 0.00 175.10 174.86 2wqt s ALA 256 N -0.75 0.57 -0.06 5.51 0.00 -1.26 -0.81 121.76 124.96 2wqt s ALA 256 Ca -0.03 -0.67 -0.10 0.00 0.00 0.00 0.00 51.96 51.16 2wqt s ALA 256 Cb -0.06 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.08 2wqt s ALA 256 CO 0.00 0.01 0.24 0.00 0.00 0.00 0.00 175.76 176.02 2wqt s ALA 257 N -1.13 -0.60 -0.02 0.00 0.00 -0.35 -0.56 121.76 119.10 2wqt s ALA 257 Ca -0.07 0.45 0.07 0.00 0.00 0.00 0.00 51.96 52.41 2wqt s ALA 257 Cb -0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 2wqt s ALA 257 CO 0.00 -0.17 -0.24 0.99 0.00 0.00 0.00 175.76 176.35 2wqt s THR 258 N -0.50 1.89 -0.10 0.00 2.01 -0.97 -0.25 115.64 117.71 2wqt s THR 258 Ca -0.06 -1.02 -0.06 0.00 0.31 0.00 0.00 61.69 60.86 2wqt s THR 258 Cb -0.04 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.87 2wqt s THR 258 CO 0.01 0.53 0.12 -0.36 -0.69 0.00 0.00 174.62 174.24 2wqt s PHE 259 N -0.55 3.52 0.00 4.92 0.08 -0.08 -0.20 117.98 125.68 2wqt s PHE 259 Ca 0.09 0.46 0.00 0.00 0.12 0.00 0.00 56.93 57.59 2wqt s PHE 259 Cb -0.09 -1.90 0.00 0.00 -0.57 0.00 0.00 43.02 40.46 2wqt s PHE 259 CO -0.01 0.69 0.00 -1.13 -0.10 0.00 0.00 175.22 174.67 2wqt n SER 260 N 1.86 -0.11 -0.36 1.36 3.41 -0.56 -2.30 113.62 116.92 2wqt n SER 260 Ca -0.19 -0.08 0.04 0.00 -0.26 0.00 0.00 58.87 58.39 2wqt n SER 260 Cb 0.54 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.53 2wqt n SER 260 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68