#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 0.16 -0.01 1.96 2.86 -2.08 -3.14 114.93 114.67 2wqt h MET 1 Ca 0.00 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2wqt h MET 1 Cb 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.64 2wqt h MET 1 CO 0.00 0.39 -0.02 0.25 1.06 0.00 0.00 176.91 178.59 2wqt n THR 2 N -4.85 0.00 -0.33 2.22 -2.24 -1.26 -4.34 114.28 103.49 2wqt n THR 2 Ca -0.06 -0.25 -0.02 0.00 -2.27 0.00 0.00 64.05 61.45 2wqt n THR 2 Cb 0.18 0.52 0.11 0.00 -2.10 0.00 0.00 70.33 69.04 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 2.33 1.11 -0.59 -0.78 3.64 -1.98 0.11 116.57 120.40 2wqt h LYS 3 Ca 0.00 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 2wqt h LYS 3 Cb 0.51 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 2wqt h LYS 3 CO 0.00 0.74 0.17 1.25 -2.27 0.00 0.00 179.45 179.33 2wqt h HIS 4 N 1.15 0.98 -0.84 1.91 2.76 -1.77 -1.53 115.15 117.80 2wqt h HIS 4 Ca 0.35 -0.11 -0.02 0.00 -2.20 0.00 0.00 60.37 58.39 2wqt h HIS 4 Cb -0.04 -0.28 -0.04 0.00 1.55 0.00 0.00 27.41 28.60 2wqt h HIS 4 CO -0.01 0.82 0.45 1.15 -1.30 0.00 0.00 177.93 179.03 2wqt h THR 5 N 0.85 1.25 -0.36 6.26 2.02 -1.66 -2.11 112.91 119.15 2wqt h THR 5 Ca 0.19 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.74 2wqt h THR 5 Cb 0.31 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 2wqt h THR 5 CO -0.00 0.28 0.23 -0.07 0.37 0.00 0.00 175.52 176.33 2wqt h LEU 6 N 1.17 0.43 -0.79 2.58 4.07 -0.63 -0.80 115.31 121.35 2wqt h LEU 6 Ca 0.29 -0.04 0.07 0.00 0.08 0.00 0.00 57.88 58.29 2wqt h LEU 6 Cb 0.05 -0.11 -0.06 0.00 1.08 0.00 0.00 40.66 41.62 2wqt h LEU 6 CO -0.05 0.34 0.47 -0.33 -1.08 0.00 0.00 178.44 177.79 2wqt h GLU 7 N 0.48 0.81 -0.16 1.13 4.39 -1.05 -0.20 114.58 119.98 2wqt h GLU 7 Ca 0.13 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 2wqt h GLU 7 Cb -0.02 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.44 2wqt h GLU 7 CO -0.03 0.54 0.06 1.96 -1.16 0.00 0.00 179.01 180.38 2wqt h GLN 8 N 0.84 0.23 -0.58 2.33 4.20 -0.84 -1.54 115.11 119.75 2wqt h GLN 8 Ca 0.36 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.97 2wqt h GLN 8 Cb 0.22 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 2wqt h GLN 8 CO -0.19 0.33 0.18 -0.07 -0.67 0.00 0.00 178.83 178.40 2wqt h LEU 9 N 0.09 0.85 -0.65 1.46 3.38 -0.96 -1.35 115.31 118.13 2wqt h LEU 9 Ca 0.05 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 57.88 2wqt h LEU 9 Cb 0.19 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.66 2wqt h LEU 9 CO -0.00 0.83 0.34 0.00 0.09 0.00 0.00 178.44 179.70 2wqt h ALA 10 N 1.05 0.87 -0.70 1.53 0.00 -0.93 -0.93 119.26 120.14 2wqt h ALA 10 Ca 0.19 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 2wqt h ALA 10 Cb 0.29 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2wqt h ALA 10 CO -0.01 -0.01 0.22 0.00 0.00 0.00 0.00 179.25 179.45 2wqt h ALA 11 N 1.36 1.05 -0.74 0.00 0.00 -1.05 -1.60 119.26 118.29 2wqt h ALA 11 Ca 0.30 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2wqt h ALA 11 Cb 0.24 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2wqt h ALA 11 CO -0.21 0.64 0.47 -0.44 0.00 0.00 0.00 179.25 179.71 2wqt h ASP 12 N 1.05 0.86 -0.58 0.00 3.32 -0.45 -0.78 116.42 119.84 2wqt h ASP 12 Ca 0.23 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.18 2wqt h ASP 12 Cb 0.29 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 2wqt h ASP 12 CO -0.01 0.64 0.13 -0.07 -1.72 0.00 0.00 179.24 178.21 2wqt h LEU 13 N 1.00 0.92 -0.40 1.55 4.07 -0.91 -0.59 115.31 120.95 2wqt h LEU 13 Ca 0.27 -0.19 -0.11 0.00 0.08 0.00 0.00 57.88 57.93 2wqt h LEU 13 Cb -0.09 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.40 2wqt h LEU 13 CO -0.06 0.91 -0.17 0.03 -1.08 0.00 0.00 178.44 178.07 2wqt h ARG 14 N 0.93 0.83 -0.55 1.13 3.08 -0.81 -2.49 114.38 116.49 2wqt h ARG 14 Ca 0.19 -0.35 -0.11 0.00 0.07 0.00 0.00 59.98 59.78 2wqt h ARG 14 Cb 0.36 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 2wqt h ARG 14 CO 0.00 0.98 -0.11 -0.09 -1.07 0.00 0.00 179.97 179.69 2wqt h ARG 15 N 0.64 1.04 -0.53 0.04 2.43 -1.05 -1.54 114.38 115.40 2wqt h ARG 15 Ca 0.09 -0.38 0.10 0.00 -0.81 0.00 0.00 59.98 58.98 2wqt h ARG 15 Cb 0.72 -0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 30.13 2wqt h ARG 15 CO 0.05 1.07 0.09 0.00 -1.51 0.00 0.00 179.97 179.68 2wqt h ALA 16 N 0.94 0.59 -0.20 2.80 0.00 -0.96 -1.19 119.26 121.25 2wqt h ALA 16 Ca 0.14 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 2wqt h ALA 16 Cb 0.68 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2wqt h ALA 16 CO 0.05 -0.32 -0.00 0.00 0.00 0.00 0.00 179.25 178.97 2wqt h ALA 17 N 1.43 0.27 -0.50 0.00 0.00 -1.19 -1.28 119.26 117.99 2wqt h ALA 17 Ca 0.27 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 55.02 2wqt h ALA 17 Cb 0.39 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2wqt h ALA 17 CO -0.37 -0.01 0.33 0.93 0.00 0.00 0.00 179.25 180.13 2wqt h GLU 18 N 0.11 0.49 0.00 0.00 5.08 -0.95 -3.02 114.58 116.30 2wqt h GLU 18 Ca 0.06 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2wqt h GLU 18 Cb 0.40 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2wqt h GLU 18 CO 0.01 0.32 -1.22 1.04 -1.00 0.00 0.00 179.01 178.16 2wqt n GLN 19 N -4.47 0.20 -2.88 2.33 6.02 -0.48 -4.97 117.38 113.13 2wqt n GLN 19 Ca 0.06 -0.05 -0.22 0.00 -0.01 0.00 0.00 57.00 56.79 2wqt n GLN 19 Cb 0.19 -1.52 0.03 0.00 1.02 0.00 0.00 30.24 29.96 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 1.42 -0.49 2.97 1.08 0.00 -0.52 -5.00 105.19 104.65 2wqt n GLY 20 Ca 0.02 0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 -5.54 1.93 0.46 1.61 2.02 -0.97 -5.06 118.70 113.15 2wqt s GLU 21 Ca 0.24 -0.60 -0.22 0.00 0.02 0.00 0.00 54.97 54.42 2wqt s GLU 21 Cb -0.10 -2.11 -0.08 0.00 0.10 0.00 0.00 34.13 31.94 2wqt s GLU 21 CO 0.29 -0.34 1.07 0.00 0.02 0.00 0.00 175.26 176.30 2wqt s ALA 22 N 1.52 2.92 0.40 5.21 0.00 -1.26 -4.45 121.76 126.11 2wqt s ALA 22 Ca 0.02 0.70 0.08 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 19.65 2wqt s ALA 22 CO -0.09 -0.38 0.29 0.96 0.00 0.00 0.00 175.76 176.53 2wqt s ILE 23 N -1.80 2.64 0.57 0.00 -4.36 -0.02 -4.63 121.20 113.58 2wqt s ILE 23 Ca 0.65 -1.49 -0.18 0.00 -0.26 0.00 0.00 60.65 59.36 2wqt s ILE 23 Cb -0.20 -3.01 -0.05 0.00 1.25 0.00 0.00 42.46 40.45 2wqt s ILE 23 CO 0.25 -0.03 1.11 0.00 0.24 0.00 0.00 174.94 176.51 2wqt s ALA 24 N -2.50 2.66 0.45 2.27 0.00 -1.26 -0.59 121.76 122.79 2wqt s ALA 24 Ca 0.44 0.69 -0.23 0.00 0.00 0.00 0.00 51.96 52.86 2wqt s ALA 24 Cb -0.01 -3.33 -0.10 0.00 0.00 0.00 0.00 23.12 19.69 2wqt s ALA 24 CO 0.26 -0.84 1.03 -2.30 0.00 0.00 0.00 175.76 173.91 2wqt n PRO 25 N -1.60 1.36 0.03 0.00 -0.02 -1.26 -4.87 135.00 128.64 2wqt n PRO 25 Ca 0.11 0.49 0.12 0.00 -2.02 0.00 0.00 63.50 62.20 2wqt n PRO 25 Cb 0.52 -2.11 0.27 0.00 -0.02 0.00 0.00 33.50 32.16 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 0.27 0.54 -0.25 2.45 4.32 -1.26 -4.59 117.00 118.48 2wqt n LEU 26 Ca 0.10 0.19 0.03 0.00 -0.02 0.00 0.00 56.01 56.31 2wqt n LEU 26 Cb 0.41 -0.26 0.16 0.00 -1.62 0.00 0.00 43.42 42.11 2wqt n LEU 26 CO 0.56 0.01 1.04 0.08 -1.22 0.00 0.00 177.39 177.87 2wqt h ARG 27 N 0.00 0.51 0.00 3.23 0.11 -1.93 -1.09 114.38 115.22 2wqt h ARG 27 Ca 0.00 -0.03 -0.11 0.00 0.10 0.00 0.00 59.98 59.94 2wqt h ARG 27 Cb 0.62 -0.12 -0.02 0.00 1.11 0.00 0.00 29.97 31.57 2wqt h ARG 27 CO 0.00 0.34 -0.53 -0.44 0.10 0.00 0.00 179.97 179.44 2wqt h ASP 28 N 0.53 0.00 1.01 0.08 3.32 -1.91 0.22 116.42 119.66 2wqt h ASP 28 Ca 0.38 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.30 2wqt h ASP 28 Cb 0.50 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 2wqt h ASP 28 CO -0.33 0.53 -0.63 -0.07 -1.72 0.00 0.00 179.24 177.01 2wqt h LEU 29 N 0.00 0.00 0.00 1.55 4.07 -1.51 -3.34 115.31 116.08 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 1.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.74 2wqt h LEU 29 CO 0.07 0.63 -1.09 2.30 -1.08 0.00 0.00 178.44 179.27 2wqt n ILE 30 N -3.46 0.00 -0.00 1.22 -5.35 -1.03 -5.10 119.36 105.64 2wqt n ILE 30 Ca 0.00 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 2wqt n ILE 30 Cb 0.71 0.56 0.00 0.00 -1.74 0.00 0.00 39.64 39.17 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 1.61 1.50 0.45 3.28 0.00 0.76 -4.53 105.19 108.26 2wqt n GLY 31 Ca -0.00 -1.30 0.27 0.00 0.00 0.00 0.00 46.02 44.99 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 0.48 -1.11 -0.61 2.10 -1.90 -0.91 117.51 115.57 2wqt h ILE 32 Ca 0.00 -0.09 -0.56 0.00 1.08 0.00 0.00 64.86 65.29 2wqt h ILE 32 Cb 0.00 0.21 -0.42 0.00 -1.09 0.00 0.00 36.82 35.51 2wqt h ILE 32 CO 0.00 0.05 -0.78 -0.90 -1.08 0.00 0.00 178.15 175.43 2wqt n ASP 33 N -4.48 4.77 -4.25 2.19 5.75 -1.26 -4.50 116.55 114.77 2wqt n ASP 33 Ca 0.25 -3.71 -0.44 0.00 -0.01 0.00 0.00 54.79 50.88 2wqt n ASP 33 Cb 1.00 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 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 -0.60 5.53 -0.16 -1.12 2.85 -0.35 -4.84 115.26 116.58 2wqt n ASN 34 Ca 0.41 -3.10 -0.07 0.00 -0.11 0.00 0.00 54.58 51.71 2wqt n ASN 34 Cb 0.82 -1.43 0.02 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 6.44 0.61 -0.80 5.20 0.00 -1.89 -2.80 119.26 126.02 2wqt h ALA 35 Ca 0.26 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.28 2wqt h ALA 35 Cb 0.79 -0.19 -0.09 0.00 0.00 0.00 0.00 17.79 18.29 2wqt h ALA 35 CO 1.23 0.06 0.36 1.49 0.00 0.00 0.00 179.25 182.39 2wqt h GLU 36 N 0.65 0.50 -0.25 0.00 4.81 -2.00 -1.66 114.58 116.64 2wqt h GLU 36 Ca 0.18 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.26 2wqt h GLU 36 Cb -0.07 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.19 2wqt h GLU 36 CO -0.04 0.33 -0.27 0.00 -0.73 0.00 0.00 179.01 178.30 2wqt h ALA 37 N 1.55 0.37 -0.45 2.92 0.00 -1.91 -1.59 119.26 120.15 2wqt h ALA 37 Ca 0.44 -0.39 0.06 0.00 0.00 0.00 0.00 54.91 55.01 2wqt h ALA 37 Cb 0.65 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 2wqt h ALA 37 CO -0.39 0.37 0.16 0.00 0.00 0.00 0.00 179.25 179.39 2wqt h ALA 38 N 0.67 0.54 -0.23 0.00 0.00 -1.19 -0.39 119.26 118.66 2wqt h ALA 38 Ca 0.04 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2wqt h ALA 38 Cb 0.84 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2wqt h ALA 38 CO 0.07 -0.23 -0.15 1.88 0.00 0.00 0.00 179.25 180.82 2wqt h TYR 39 N 0.33 0.42 -0.62 0.00 -1.99 -1.27 -2.03 116.97 111.81 2wqt h TYR 39 Ca 0.21 -0.06 -0.07 0.00 2.00 0.00 0.00 58.73 60.81 2wqt h TYR 39 Cb 0.21 -0.11 -0.02 0.00 2.00 0.00 0.00 36.73 38.80 2wqt h TYR 39 CO -0.16 0.53 0.13 0.00 -0.00 0.00 0.00 178.16 178.66 2wqt h ALA 40 N 1.49 0.82 -0.17 3.88 0.00 -0.51 -0.54 119.26 124.23 2wqt h ALA 40 Ca 0.07 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2wqt h ALA 40 Cb 0.48 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2wqt h ALA 40 CO 0.03 0.55 0.09 0.82 0.00 0.00 0.00 179.25 180.74 2wqt h ILE 41 N 0.91 1.11 -0.67 0.00 2.04 -0.78 0.58 117.51 120.70 2wqt h ILE 41 Ca 0.19 -0.30 0.09 0.00 1.00 0.00 0.00 64.86 65.84 2wqt h ILE 41 Cb 0.39 1.01 -0.07 0.00 -0.74 0.00 0.00 36.82 37.41 2wqt h ILE 41 CO 0.01 0.10 0.30 -0.61 0.00 0.00 0.00 178.15 177.95 2wqt h GLN 42 N 0.16 0.51 -0.37 2.37 4.15 -1.28 -2.47 115.11 118.18 2wqt h GLN 42 Ca 0.06 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 2wqt h GLN 42 Cb 0.08 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 2wqt h GLN 42 CO -0.01 0.34 0.15 1.25 -1.93 0.00 0.00 178.83 178.62 2wqt h HIS 43 N 0.52 0.56 -0.48 3.99 2.76 -0.74 -0.69 115.15 121.07 2wqt h HIS 43 Ca 0.33 -0.04 0.10 0.00 -2.20 0.00 0.00 60.37 58.56 2wqt h HIS 43 Cb 0.37 -0.17 -0.09 0.00 1.55 0.00 0.00 27.41 29.07 2wqt h HIS 43 CO -0.13 0.51 -0.14 0.82 -1.30 0.00 0.00 177.93 177.68 2wqt h ILE 44 N 0.45 0.48 -0.21 6.26 1.08 -0.55 0.22 117.51 125.23 2wqt h ILE 44 Ca 0.12 0.00 -0.13 0.00 -0.39 0.00 0.00 64.86 64.46 2wqt h ILE 44 Cb 0.19 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 34.40 2wqt h ILE 44 CO -0.01 0.00 -0.43 0.78 -0.69 0.00 0.00 178.15 177.80 2wqt h ASN 45 N -0.03 0.55 -0.24 1.72 2.35 -1.14 -0.19 115.58 118.60 2wqt h ASN 45 Ca 0.23 -0.25 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 2wqt h ASN 45 Cb 0.38 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 2wqt h ASN 45 CO -0.51 0.91 0.06 0.58 -1.65 0.00 0.00 177.43 176.82 2wqt h VAL 46 N 0.42 1.21 -0.95 2.81 2.07 -0.77 -2.27 116.25 118.78 2wqt h VAL 46 Ca 0.03 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.85 2wqt h VAL 46 Cb 0.93 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.87 2wqt h VAL 46 CO 0.08 0.22 0.60 -0.61 0.02 0.00 0.00 177.57 177.88 2wqt h GLN 47 N 0.21 1.28 -0.32 1.57 5.75 -0.69 0.12 115.11 123.03 2wqt h GLN 47 Ca 0.07 -0.10 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 2wqt h GLN 47 Cb 0.29 -0.28 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 2wqt h GLN 47 CO 0.00 0.87 0.14 1.25 -2.65 0.00 0.00 178.83 178.45 2wqt h HIS 48 N 1.30 0.47 -0.36 3.99 2.76 -0.97 -2.20 115.15 120.14 2wqt h HIS 48 Ca 0.34 -0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.38 2wqt h HIS 48 Cb -0.09 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 28.71 2wqt h HIS 48 CO 0.00 0.43 -0.22 -0.44 -1.30 0.00 0.00 177.93 176.40 2wqt h ASP 49 N 0.37 0.70 -0.58 3.26 3.32 -0.83 -2.86 116.42 119.80 2wqt h ASP 49 Ca 0.11 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 56.87 2wqt h ASP 49 Cb 0.15 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 2wqt h ASP 49 CO -0.01 0.91 0.20 0.58 -1.72 0.00 0.00 179.24 179.19 2wqt h VAL 50 N 0.61 1.23 0.00 -1.35 2.07 -0.85 -1.40 116.25 116.56 2wqt h VAL 50 Ca 0.09 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 2wqt h VAL 50 Cb 0.70 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2wqt h VAL 50 CO 0.05 0.31 -0.05 0.00 0.02 0.00 0.00 177.57 177.90 2wqt h ALA 51 N 1.31 1.19 -0.56 1.67 0.00 -1.17 0.53 119.26 122.23 2wqt h ALA 51 Ca 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2wqt h ALA 51 Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2wqt h ALA 51 CO -0.01 0.06 0.00 1.04 0.00 0.00 0.00 179.25 180.34 2wqt n GLN 52 N -3.41 2.61 -0.50 0.00 6.02 -0.59 -4.94 117.38 116.57 2wqt n GLN 52 Ca -0.02 -2.14 0.00 0.00 -0.01 0.00 0.00 57.00 54.83 2wqt n GLN 52 Cb 0.17 -1.55 0.00 0.00 1.02 0.00 0.00 30.24 29.88 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 1.27 0.75 3.74 1.08 0.00 0.18 -5.05 105.19 107.17 2wqt n GLY 53 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.50 4.34 -0.29 1.61 3.52 -0.82 -5.00 118.95 121.81 2wqt s ARG 54 Ca 0.00 2.16 -0.10 0.00 -0.13 0.00 0.00 55.73 57.66 2wqt s ARG 54 Cb 0.00 -3.16 -0.03 0.00 -1.56 0.00 0.00 34.95 30.20 2wqt s ARG 54 CO 0.00 -0.32 0.16 0.50 -0.81 0.00 0.00 175.30 174.83 2wqt s ARG 55 N -0.23 3.65 0.09 5.12 3.52 -1.26 -4.29 118.95 125.55 2wqt s ARG 55 Ca 0.58 -0.51 -0.31 0.00 -0.13 0.00 0.00 55.73 55.36 2wqt s ARG 55 Cb -0.39 -3.57 -0.07 0.00 -1.56 0.00 0.00 34.95 29.36 2wqt s ARG 55 CO 0.40 -0.28 1.34 0.08 -0.81 0.00 0.00 175.30 176.03 2wqt s VAL 56 N 1.68 3.56 -0.14 7.11 1.01 -1.26 -0.94 120.40 131.42 2wqt s VAL 56 Ca 0.06 1.11 0.04 0.00 0.00 0.00 0.00 61.98 63.19 2wqt s VAL 56 Cb -0.16 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 2wqt s VAL 56 CO 0.08 0.08 0.15 1.33 0.00 0.00 0.00 175.10 176.73 2wqt n VAL 57 N 4.03 0.00 -3.72 2.92 0.24 -0.05 -4.85 118.33 116.89 2wqt n VAL 57 Ca 0.11 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 2wqt n VAL 57 Cb 0.44 0.87 0.00 0.00 -1.47 0.00 0.00 33.84 33.67 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 1.36 -0.54 3.27 7.63 0.00 -1.21 -1.24 105.19 114.45 2wqt n GLY 58 Ca 0.00 -0.98 -0.15 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.44 1.15 -0.05 1.61 1.81 -0.80 -1.17 118.95 120.05 2wqt s ARG 59 Ca 0.00 -1.52 0.06 0.00 -1.72 0.00 0.00 55.73 52.54 2wqt s ARG 59 Cb 0.00 -0.63 -0.02 0.00 -0.45 0.00 0.00 34.95 33.86 2wqt s ARG 59 CO 0.00 0.02 -0.22 0.21 -0.68 0.00 0.00 175.30 174.64 2wqt s LYS 60 N -3.78 2.47 -0.18 3.54 2.36 -0.11 -1.69 119.74 122.34 2wqt s LYS 60 Ca 0.20 -0.84 -0.08 0.00 -2.55 0.00 0.00 55.97 52.70 2wqt s LYS 60 Cb 0.03 -2.22 -0.04 0.00 -1.05 0.00 0.00 37.83 34.55 2wqt s LYS 60 CO 0.03 0.49 0.10 0.08 1.55 0.00 0.00 175.35 177.60 2wqt s VAL 61 N -0.41 5.16 0.39 4.02 1.01 0.58 -1.35 120.40 129.79 2wqt s VAL 61 Ca 0.04 0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.16 2wqt s VAL 61 Cb -0.12 -3.32 -0.06 0.00 0.00 0.00 0.00 36.38 32.88 2wqt s VAL 61 CO 0.02 0.48 0.05 -0.83 0.00 0.00 0.00 175.10 174.81 2wqt s GLY 62 N 0.14 2.41 -1.19 4.51 0.00 -0.44 -3.45 107.32 109.30 2wqt s GLY 62 Ca 0.07 -1.78 -0.14 0.00 0.00 0.00 0.00 44.72 42.88 2wqt s GLY 62 CO -0.00 -1.95 0.75 1.04 0.00 0.00 0.00 173.10 172.93 2wqt n LEU 63 N -0.88 -3.10 -0.08 0.66 4.77 -1.26 -1.52 117.00 115.59 2wqt n LEU 63 Ca -0.06 -0.95 0.11 0.00 -0.03 0.00 0.00 56.01 55.07 2wqt n LEU 63 Cb 0.67 -2.50 -0.01 0.00 -2.33 0.00 0.00 43.42 39.25 2wqt n LEU 63 CO 0.43 0.42 0.13 0.35 -1.33 0.00 0.00 177.39 177.38 2wqt n THR 64 N -4.13 0.00 -3.15 -5.08 -2.24 -1.26 -4.18 114.28 94.25 2wqt n THR 64 Ca -0.15 -0.04 -0.40 0.00 -2.27 0.00 0.00 64.05 61.19 2wqt n THR 64 Cb 0.62 0.87 -0.06 0.00 -2.10 0.00 0.00 70.33 69.66 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 -2.90 3.33 0.63 4.78 3.76 -1.26 -2.04 115.29 121.58 2wqt s HIS 65 Ca 0.11 0.83 0.36 0.00 -0.15 0.00 0.00 55.06 56.21 2wqt s HIS 65 Cb 0.17 -2.78 2.09 0.00 1.11 0.00 0.00 32.58 33.16 2wqt s HIS 65 CO 0.78 -0.23 2.30 -1.35 -0.85 0.00 0.00 174.74 175.40 2wqt h PRO 66 N 7.68 0.00 0.86 8.40 0.11 -1.88 -1.63 132.00 145.53 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 0.76 0.00 -0.43 0.87 -0.21 0.00 0.00 178.00 178.99 2wqt h LYS 67 N 0.00 -1.13 -0.69 1.05 1.57 -1.98 -2.51 116.57 112.88 2wqt h LYS 67 Ca 0.00 0.08 0.11 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 32.54 2wqt h LYS 67 CO -0.00 -0.75 0.46 0.28 -0.57 0.00 0.00 179.45 178.86 2wqt h VAL 68 N -1.18 0.90 -0.13 0.50 2.07 -1.78 -1.71 116.25 114.93 2wqt h VAL 68 Ca -0.12 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 2wqt h VAL 68 Cb 0.91 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2wqt h VAL 68 CO 0.18 0.09 0.07 1.56 0.02 0.00 0.00 177.57 179.50 2wqt h GLN 69 N 0.51 0.18 0.05 1.57 4.20 -1.32 -2.94 115.11 117.37 2wqt h GLN 69 Ca 0.32 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 59.01 2wqt h GLN 69 Cb 0.56 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.31 2wqt h GLN 69 CO -0.10 0.20 -0.03 1.96 -0.67 0.00 0.00 178.83 180.19 2wqt h GLN 70 N 0.12 -0.07 0.00 1.46 1.08 -0.96 -0.41 115.11 116.32 2wqt h GLN 70 Ca 0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 2wqt h GLN 70 Cb 0.07 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 2wqt h GLN 70 CO -0.01 0.17 0.03 0.94 -0.95 0.00 0.00 178.83 179.01 2wqt n GLN 71 N -5.01 0.00 0.00 1.46 7.27 -0.69 -1.15 117.38 119.26 2wqt n GLN 71 Ca -0.08 0.12 0.00 0.00 0.07 0.00 0.00 57.00 57.11 2wqt n GLN 71 Cb 0.15 -1.53 0.00 0.00 2.41 0.00 0.00 30.24 31.28 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 -1.06 0.67 0.00 1.69 4.32 -1.04 -5.04 117.00 116.54 2wqt n LEU 72 Ca 0.00 -0.67 0.00 0.00 -0.02 0.00 0.00 56.01 55.32 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 0.17 0.00 0.61 -1.22 0.00 0.00 177.39 176.95 2wqt n GLY 73 N -0.11 0.70 3.35 -0.72 0.00 -0.30 -4.22 105.19 103.89 2wqt n GLY 73 Ca 0.00 -0.25 -0.18 0.00 0.00 0.00 0.00 46.02 45.59 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 0.81 0.00 1.61 -7.23 -0.21 -5.01 120.40 108.37 2wqt s VAL 74 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 2wqt s VAL 74 Cb 0.00 -2.60 0.00 0.00 0.56 0.00 0.00 36.38 34.34 2wqt s VAL 74 CO 0.00 -0.09 0.82 -0.90 -0.31 0.00 0.00 175.10 174.63 2wqt n ASP 75 N -0.50 1.51 -4.73 4.85 5.68 -1.26 -3.66 116.55 118.44 2wqt n ASP 75 Ca -0.02 -1.68 -0.29 0.00 -0.50 0.00 0.00 54.79 52.30 2wqt n ASP 75 Cb 0.66 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.57 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 -0.68 2.67 0.00 0.11 -1.52 -1.26 -5.13 119.66 113.85 2wqt s GLN 76 Ca 0.00 -0.85 0.00 0.00 -1.95 0.00 0.00 55.36 52.56 2wqt s GLN 76 Cb 0.00 -2.57 0.00 0.00 -0.22 0.00 0.00 33.01 30.22 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 0.25 2.39 -3.83 2.91 -0.04 -1.26 -4.95 135.00 130.47 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 -0.08 0.05 3.54 3.68 -0.58 -4.97 116.67 117.32 2wqt s ASP 78 Ca 0.00 -0.01 0.03 0.00 2.13 0.00 0.00 52.55 54.70 2wqt s ASP 78 Cb 0.00 0.28 -0.02 0.00 -1.45 0.00 0.00 42.92 41.72 2wqt s ASP 78 CO 0.00 -0.33 -0.09 0.72 0.13 0.00 0.00 175.17 175.60 2wqt s PHE 79 N -1.06 0.81 0.25 -5.34 -0.71 -1.26 -1.32 117.98 109.34 2wqt s PHE 79 Ca -0.11 -0.47 0.02 0.00 -1.04 0.00 0.00 56.93 55.32 2wqt s PHE 79 Cb -0.06 -0.47 -0.05 0.00 -1.21 0.00 0.00 43.02 41.23 2wqt s PHE 79 CO 0.02 -0.05 0.06 0.20 -1.34 0.00 0.00 175.22 174.11 2wqt s GLY 80 N -1.56 1.66 -0.12 1.99 0.00 -0.46 -4.39 107.32 104.44 2wqt s GLY 80 Ca -0.07 -1.83 -0.03 0.00 0.00 0.00 0.00 44.72 42.78 2wqt s GLY 80 CO 0.01 -1.62 -0.00 -1.59 0.00 0.00 0.00 173.10 169.89 2wqt s THR 81 N -3.63 4.24 -0.11 0.90 2.01 -1.26 -0.94 115.64 116.85 2wqt s THR 81 Ca 0.34 -0.25 -0.03 0.00 0.31 0.00 0.00 61.69 62.05 2wqt s THR 81 Cb 0.07 -2.83 -0.03 0.00 0.01 0.00 0.00 72.50 69.72 2wqt s THR 81 CO 0.11 0.55 0.02 -0.76 -0.69 0.00 0.00 174.62 173.85 2wqt s LEU 82 N -0.28 3.64 0.10 4.42 1.43 -0.32 -4.91 118.68 122.77 2wqt s LEU 82 Ca 0.06 0.13 0.07 0.00 -1.03 0.00 0.00 54.13 53.36 2wqt s LEU 82 Cb -0.12 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 2wqt s LEU 82 CO 0.02 0.32 -0.10 -0.36 0.23 0.00 0.00 176.35 176.46 2wqt s PHE 83 N -0.54 2.74 0.30 0.29 0.08 -1.26 -0.87 117.98 118.72 2wqt s PHE 83 Ca 0.09 -0.15 0.05 0.00 0.12 0.00 0.00 56.93 57.04 2wqt s PHE 83 Cb -0.12 -1.43 0.76 0.00 -0.57 0.00 0.00 43.02 41.66 2wqt s PHE 83 CO 0.02 0.43 1.70 0.00 -0.10 0.00 0.00 175.22 177.27 2wqt h ALA 84 N 3.61 1.51 0.00 5.36 0.00 -1.37 -0.14 119.26 128.23 2wqt h ALA 84 Ca -0.49 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2wqt h ALA 84 Cb 1.17 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2wqt h ALA 84 CO 0.52 -0.33 0.00 -0.40 0.00 0.00 0.00 179.25 179.04 2wqt n ASP 85 N -5.01 0.00 0.00 0.00 5.75 -1.26 -2.00 116.55 114.02 2wqt n ASP 85 Ca 0.23 0.40 0.14 0.00 -0.01 0.00 0.00 54.79 55.55 2wqt n ASP 85 Cb 0.68 -0.45 0.62 0.00 -1.03 0.00 0.00 41.12 40.93 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 -1.45 0.03 -3.20 0.11 2.81 -0.06 -4.84 117.12 110.51 2wqt n MET 86 Ca 0.05 0.01 -0.41 0.00 -1.81 0.00 0.00 57.70 55.54 2wqt n MET 86 Cb 0.17 -1.50 -0.07 0.00 -0.71 0.00 0.00 33.22 31.11 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 2.44 3.41 0.67 0.00 2.02 0.63 -4.99 117.35 121.54 2wqt s TYR 88 Ca 0.21 0.29 -0.11 0.00 -0.37 0.00 0.00 57.07 57.09 2wqt s TYR 88 Cb -0.15 -1.79 -0.00 0.00 -0.40 0.00 0.00 41.96 39.62 2wqt s TYR 88 CO 0.12 0.60 1.06 0.20 -1.57 0.00 0.00 175.55 175.96 2wqt s GLY 89 N -1.75 1.63 0.24 0.71 0.00 -1.26 -1.90 107.32 105.00 2wqt s GLY 89 Ca 0.24 -0.29 -0.31 0.00 0.00 0.00 0.00 44.72 44.36 2wqt s GLY 89 CO 0.15 0.04 1.38 1.34 0.00 0.00 0.00 173.10 176.01 2wqt n ASP 90 N -2.90 2.66 -2.53 1.64 4.64 -0.47 -2.73 116.55 116.86 2wqt n ASP 90 Ca 0.06 1.15 -0.19 0.00 -1.38 0.00 0.00 54.79 54.43 2wqt n ASP 90 Cb 0.56 -1.42 0.03 0.00 -1.04 0.00 0.00 41.12 39.25 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 2.04 -5.41 -4.86 1.67 4.05 0.11 -4.96 115.26 107.90 2wqt n ASN 91 Ca 0.11 -0.22 -0.21 0.00 0.45 0.00 0.00 54.58 54.70 2wqt n ASN 91 Cb 0.31 -4.26 0.07 0.00 1.23 0.00 0.00 39.78 37.14 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 -5.46 2.12 -0.22 1.20 2.12 -1.11 -4.90 118.70 112.45 2wqt s GLU 92 Ca 0.24 -1.21 -0.07 0.00 0.36 0.00 0.00 54.97 54.29 2wqt s GLU 92 Cb -0.10 -2.49 -0.03 0.00 0.26 0.00 0.00 34.13 31.76 2wqt s GLU 92 CO 0.29 -1.04 0.07 0.42 -0.54 0.00 0.00 175.26 174.46 2wqt s ILE 93 N -2.86 4.50 -0.21 -3.70 1.01 -1.26 -2.51 121.20 116.16 2wqt s ILE 93 Ca 0.62 -0.12 -0.10 0.00 0.00 0.00 0.00 60.65 61.06 2wqt s ILE 93 Cb -0.07 -3.07 -0.05 0.00 0.01 0.00 0.00 42.46 39.28 2wqt s ILE 93 CO 0.41 0.38 0.12 -0.63 0.00 0.00 0.00 174.94 175.22 2wqt s ILE 94 N 1.14 5.23 0.17 2.92 1.01 0.83 -4.94 121.20 127.56 2wqt s ILE 94 Ca 0.04 0.13 -0.32 0.00 0.00 0.00 0.00 60.65 60.51 2wqt s ILE 94 Cb -0.14 -3.40 -0.11 0.00 0.01 0.00 0.00 42.46 38.82 2wqt s ILE 94 CO 0.03 0.41 1.72 -2.84 0.00 0.00 0.00 174.94 174.27 2wqt s PRO 95 N 0.62 4.15 0.39 2.79 0.02 -1.26 -1.21 135.00 140.50 2wqt s PRO 95 Ca 0.07 2.54 0.07 0.00 0.02 0.00 0.00 61.00 63.70 2wqt s PRO 95 Cb -0.12 -3.27 0.82 0.00 0.02 0.00 0.00 34.50 31.95 2wqt s PRO 95 CO 0.01 -0.75 2.01 0.35 -0.33 0.00 0.00 177.00 178.29 2wqt h PHE 96 N 7.41 0.62 0.00 6.54 3.57 -1.90 -2.12 116.94 131.05 2wqt h PHE 96 Ca -0.44 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.08 2wqt h PHE 96 Cb 1.21 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.74 2wqt h PHE 96 CO 0.69 0.36 0.00 -1.13 -2.23 0.00 0.00 178.31 176.00 2wqt n SER 97 N -4.47 0.51 -0.22 0.41 3.41 -1.26 -3.80 113.62 108.21 2wqt n SER 97 Ca 0.07 0.59 -0.05 0.00 -0.26 0.00 0.00 58.87 59.23 2wqt n SER 97 Cb 0.16 -0.71 0.06 0.00 -0.26 0.00 0.00 64.21 63.45 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 0.75 -5.18 4.33 9.65 -1.76 -3.42 114.38 118.75 2wqt h ARG 98 Ca 0.00 -0.04 -0.65 0.00 -1.10 0.00 0.00 59.98 58.18 2wqt h ARG 98 Cb 0.46 -0.17 -0.26 0.00 -1.39 0.00 0.00 29.97 28.61 2wqt h ARG 98 CO 0.00 0.49 -0.73 0.08 2.80 0.00 0.00 179.97 182.61 2wqt s VAL 99 N -6.13 3.30 -0.13 0.20 1.01 -1.25 -5.05 120.40 112.35 2wqt s VAL 99 Ca -0.13 -0.55 -0.29 0.00 0.00 0.00 0.00 61.98 61.01 2wqt s VAL 99 Cb 0.14 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 2wqt s VAL 99 CO 0.76 0.48 1.09 -0.22 0.00 0.00 0.00 175.10 177.21 2wqt s LEU 100 N 0.83 4.21 -1.00 3.92 2.96 -1.26 -3.92 118.68 124.42 2wqt s LEU 100 Ca -0.03 1.59 -0.11 0.00 -0.22 0.00 0.00 54.13 55.36 2wqt s LEU 100 Cb -0.15 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 42.97 2wqt s LEU 100 CO 0.01 -0.57 0.79 0.00 -1.32 0.00 0.00 176.35 175.26 2wqt n GLN 101 N 5.53 -1.53 -2.74 1.98 6.02 -1.26 -1.13 117.38 124.25 2wqt n GLN 101 Ca 0.11 0.81 -0.38 0.00 -0.01 0.00 0.00 57.00 57.53 2wqt n GLN 101 Cb 0.47 -4.72 -0.06 0.00 1.02 0.00 0.00 30.24 26.95 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 -4.85 4.61 0.02 -1.09 0.04 -1.25 -3.97 135.00 128.51 2wqt s PRO 102 Ca 0.33 1.40 0.02 0.00 0.04 0.00 0.00 61.00 62.79 2wqt s PRO 102 Cb -0.09 -2.90 -0.01 0.00 0.04 0.00 0.00 34.50 31.54 2wqt s PRO 102 CO 0.81 0.29 -0.07 1.03 0.04 0.00 0.00 177.00 179.10 2wqt s ARG 103 N -1.88 0.53 0.07 4.56 3.00 -0.23 -1.47 118.95 123.53 2wqt s ARG 103 Ca 0.49 -0.50 0.05 0.00 0.00 0.00 0.00 55.73 55.77 2wqt s ARG 103 Cb -0.21 -0.42 -0.04 0.00 0.00 0.00 0.00 34.95 34.28 2wqt s ARG 103 CO 0.27 0.10 -0.05 0.96 0.00 0.00 0.00 175.30 176.58 2wqt s ILE 104 N -0.76 3.74 0.03 1.52 -5.25 -0.74 0.49 121.20 120.23 2wqt s ILE 104 Ca -0.03 -1.01 0.00 0.00 -0.99 0.00 0.00 60.65 58.61 2wqt s ILE 104 Cb -0.06 -2.73 -0.02 0.00 2.95 0.00 0.00 42.46 42.59 2wqt s ILE 104 CO 0.00 0.19 -0.03 -1.83 -1.79 0.00 0.00 174.94 171.48 2wqt s GLU 105 N -2.05 0.40 0.10 0.37 -1.05 -0.42 -1.77 118.70 114.28 2wqt s GLU 105 Ca 0.22 -0.76 -0.17 0.00 -0.15 0.00 0.00 54.97 54.11 2wqt s GLU 105 Cb -0.11 0.09 -0.07 0.00 -0.44 0.00 0.00 34.13 33.60 2wqt s GLU 105 CO 0.14 -0.05 0.56 0.00 0.95 0.00 0.00 175.26 176.86 2wqt s ALA 106 N -1.98 3.58 0.12 -0.84 0.00 -1.26 -0.47 121.76 120.90 2wqt s ALA 106 Ca -0.10 -0.03 -0.07 0.00 0.00 0.00 0.00 51.96 51.75 2wqt s ALA 106 Cb -0.06 -2.59 -0.01 0.00 0.00 0.00 0.00 23.12 20.46 2wqt s ALA 106 CO -0.03 0.42 0.19 -1.21 0.00 0.00 0.00 175.76 175.13 2wqt s GLU 107 N -1.45 0.94 -0.22 0.00 2.02 0.11 -1.11 118.70 119.00 2wqt s GLU 107 Ca 0.32 -1.11 -0.10 0.00 0.02 0.00 0.00 54.97 54.11 2wqt s GLU 107 Cb -0.18 0.33 -0.05 0.00 0.10 0.00 0.00 34.13 34.34 2wqt s GLU 107 CO 0.19 -0.31 0.13 0.42 0.02 0.00 0.00 175.26 175.71 2wqt s ILE 108 N -3.92 5.22 -0.08 -1.63 1.01 -1.26 -1.07 121.20 119.47 2wqt s ILE 108 Ca 0.11 0.13 -0.03 0.00 0.00 0.00 0.00 60.65 60.86 2wqt s ILE 108 Cb 0.05 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 2wqt s ILE 108 CO -0.06 0.40 0.07 0.00 0.00 0.00 0.00 174.94 175.35 2wqt s ALA 109 N 0.72 3.58 0.01 9.38 0.00 0.28 -1.89 121.76 133.83 2wqt s ALA 109 Ca 0.07 -0.76 0.09 0.00 0.00 0.00 0.00 51.96 51.35 2wqt s ALA 109 Cb -0.13 -1.68 -0.02 0.00 0.00 0.00 0.00 23.12 21.29 2wqt s ALA 109 CO 0.01 0.63 -0.26 -0.51 0.00 0.00 0.00 175.76 175.63 2wqt s LEU 110 N -1.14 2.11 -0.05 0.00 1.43 -0.01 -1.14 118.68 119.88 2wqt s LEU 110 Ca 0.16 -0.53 0.04 0.00 -1.03 0.00 0.00 54.13 52.77 2wqt s LEU 110 Cb -0.12 -1.31 -0.02 0.00 0.03 0.00 0.00 46.19 44.77 2wqt s LEU 110 CO 0.06 0.29 -0.15 -0.69 0.23 0.00 0.00 176.35 176.09 2wqt s VAL 111 N -0.70 3.00 -0.08 -1.59 1.01 -0.24 -0.52 120.40 121.28 2wqt s VAL 111 Ca 0.11 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.30 2wqt s VAL 111 Cb -0.10 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 2wqt s VAL 111 CO 0.00 0.59 0.12 -0.76 0.00 0.00 0.00 175.10 175.05 2wqt s LEU 112 N -0.67 4.21 0.33 3.92 1.43 -0.97 0.60 118.68 127.52 2wqt s LEU 112 Ca 0.10 0.36 0.17 0.00 -1.03 0.00 0.00 54.13 53.73 2wqt s LEU 112 Cb -0.11 -2.16 0.45 0.00 0.03 0.00 0.00 46.19 44.40 2wqt s LEU 112 CO 0.01 0.36 1.62 0.78 0.23 0.00 0.00 176.35 179.35 2wqt h ASN 113 N 4.69 0.00 -5.13 2.29 2.35 -0.78 -0.62 115.58 118.37 2wqt h ASN 113 Ca -0.53 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.19 2wqt h ASN 113 Cb 1.21 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 39.48 2wqt h ASN 113 CO 0.60 0.46 -0.04 0.00 -1.65 0.00 0.00 177.43 176.80 2wqt s ARG 114 N -3.38 1.35 0.59 0.81 3.03 -1.26 -4.69 118.95 115.40 2wqt s ARG 114 Ca 0.01 -0.95 -0.19 0.00 2.03 0.00 0.00 55.73 56.63 2wqt s ARG 114 Cb 0.10 0.49 -0.03 0.00 -1.03 0.00 0.00 34.95 34.48 2wqt s ARG 114 CO 0.71 -0.56 1.22 -0.51 -1.13 0.00 0.00 175.30 175.04 2wqt s ASP 115 N -2.90 5.15 -0.62 -2.89 1.01 -1.26 -3.47 116.67 111.69 2wqt s ASP 115 Ca 0.11 2.43 0.05 0.00 0.71 0.00 0.00 52.55 55.85 2wqt s ASP 115 Cb -0.00 -2.60 0.17 0.00 1.01 0.00 0.00 42.92 41.49 2wqt s ASP 115 CO -0.01 -1.62 0.45 -0.76 0.21 0.00 0.00 175.17 173.43 2wqt s LEU 116 N -4.06 3.85 0.35 1.23 1.43 -0.24 -4.90 118.68 116.34 2wqt s LEU 116 Ca 0.78 -3.63 0.18 0.00 -1.03 0.00 0.00 54.13 50.43 2wqt s LEU 116 Cb -0.31 -1.30 0.18 0.00 0.03 0.00 0.00 46.19 44.79 2wqt s LEU 116 CO 0.34 -0.11 1.51 1.55 0.23 0.00 0.00 176.35 179.88 2wqt h PRO 117 N 5.47 0.00 -6.26 1.29 0.13 -1.93 -3.37 132.00 127.33 2wqt h PRO 117 Ca 0.18 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.75 2wqt h PRO 117 Cb 0.80 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.90 2wqt h PRO 117 CO 0.62 0.30 0.80 0.00 -0.23 0.00 0.00 178.00 179.49 2wqt s ALA 118 N -3.07 3.57 -1.61 -0.56 0.00 -1.26 -4.81 121.76 114.02 2wqt s ALA 118 Ca 0.05 0.61 0.26 0.00 0.00 0.00 0.00 51.96 52.88 2wqt s ALA 118 Cb 0.07 -3.57 1.41 0.00 0.00 0.00 0.00 23.12 21.03 2wqt s ALA 118 CO 0.71 -0.94 1.91 0.25 0.00 0.00 0.00 175.76 177.69 2wqt n THR 119 N 4.91 0.11 -1.83 0.00 -2.24 -1.26 -2.96 114.28 111.01 2wqt n THR 119 Ca 0.12 0.03 0.06 0.00 -2.27 0.00 0.00 64.05 61.99 2wqt n THR 119 Cb 0.45 -0.60 0.16 0.00 -2.10 0.00 0.00 70.33 68.24 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 -1.20 1.53 -4.66 3.42 3.85 -1.26 -4.78 116.55 113.45 2wqt n ASP 120 Ca 0.15 -3.41 -0.43 0.00 -0.71 0.00 0.00 54.79 50.39 2wqt n ASP 120 Cb 0.17 -0.47 -0.01 0.00 -1.35 0.00 0.00 41.12 39.46 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 -0.70 1.99 -4.00 2.12 3.06 -1.15 -4.99 119.36 115.69 2wqt n ILE 121 Ca 0.16 -0.50 -0.21 0.00 -2.50 0.00 0.00 62.75 59.70 2wqt n ILE 121 Cb 0.81 -1.37 -0.03 0.00 0.54 0.00 0.00 39.64 39.59 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 -1.07 4.89 0.24 9.51 -4.23 -1.26 -4.98 115.64 118.74 2wqt s THR 122 Ca 0.57 -1.14 -0.06 0.00 -1.18 0.00 0.00 61.69 59.87 2wqt s THR 122 Cb -0.62 -3.67 0.26 0.00 1.34 0.00 0.00 72.50 69.82 2wqt s THR 122 CO 0.61 -0.33 1.65 0.15 -0.54 0.00 0.00 174.62 176.17 2wqt h PHE 123 N 1.27 0.06 -0.13 3.99 3.57 -1.94 -0.77 116.94 122.99 2wqt h PHE 123 Ca -0.50 0.05 -0.11 0.00 3.53 0.00 0.00 57.97 60.94 2wqt h PHE 123 Cb 1.23 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 40.05 2wqt h PHE 123 CO 0.49 -0.19 -0.39 0.38 -2.23 0.00 0.00 178.31 176.37 2wqt h ASP 124 N 0.15 0.29 0.00 0.41 2.03 -2.00 -2.81 116.42 114.50 2wqt h ASP 124 Ca 0.41 -0.12 -0.14 0.00 -0.73 0.00 0.00 57.03 56.45 2wqt h ASP 124 Cb 0.73 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 39.14 2wqt h ASP 124 CO -0.61 0.66 -0.47 -0.33 -1.03 0.00 0.00 179.24 177.46 2wqt h GLU 125 N 0.24 0.54 -0.73 4.15 5.08 -1.58 -2.89 114.58 119.39 2wqt h GLU 125 Ca 0.02 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 58.04 2wqt h GLU 125 Cb 0.79 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 2wqt h GLU 125 CO 0.06 0.90 0.28 1.25 -1.00 0.00 0.00 179.01 180.50 2wqt h LEU 126 N 0.44 1.00 -0.68 1.33 5.85 -1.14 -2.79 115.31 119.31 2wqt h LEU 126 Ca 0.03 -0.15 0.14 0.00 0.84 0.00 0.00 57.88 58.74 2wqt h LEU 126 Cb 0.98 -0.26 -0.10 0.00 0.37 0.00 0.00 40.66 41.65 2wqt h LEU 126 CO 0.09 0.89 0.13 1.88 -0.34 0.00 0.00 178.44 181.10 2wqt h TYR 127 N 1.06 0.20 0.00 1.25 0.05 -1.28 0.76 116.97 119.01 2wqt h TYR 127 Ca 0.24 0.04 0.00 0.00 0.05 0.00 0.00 58.73 59.07 2wqt h TYR 127 Cb 0.21 0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.97 2wqt h TYR 127 CO 0.02 -0.09 0.00 -1.71 -1.05 0.00 0.00 178.16 175.33 2wqt n ASN 128 N -5.17 0.19 -0.26 3.88 2.85 -1.06 -2.71 115.26 112.98 2wqt n ASN 128 Ca 0.12 0.55 0.11 0.00 -0.11 0.00 0.00 54.58 55.25 2wqt n ASN 128 Cb 0.41 -0.59 0.05 0.00 1.24 0.00 0.00 39.78 40.89 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 -1.58 3.82 -2.67 5.20 0.00 0.25 -4.89 120.51 120.65 2wqt n ALA 129 Ca 0.03 -0.56 -0.41 0.00 0.00 0.00 0.00 53.44 52.49 2wqt n ALA 129 Cb 0.17 -0.88 -0.04 0.00 0.00 0.00 0.00 19.45 18.70 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 -2.68 4.87 -0.20 0.00 1.01 -1.10 -0.08 121.20 123.02 2wqt s ILE 130 Ca 0.16 1.62 -0.20 0.00 0.00 0.00 0.00 60.65 62.24 2wqt s ILE 130 Cb 0.18 -4.13 -0.17 0.00 0.01 0.00 0.00 42.46 38.34 2wqt s ILE 130 CO 0.66 0.01 0.14 1.21 0.00 0.00 0.00 174.94 176.97 2wqt n GLU 131 N 5.33 0.55 -4.15 2.79 2.13 0.20 -4.73 120.64 122.75 2wqt n GLU 131 Ca 0.05 0.56 -0.15 0.00 0.66 0.00 0.00 57.16 58.27 2wqt n GLU 131 Cb 0.49 -1.73 -0.13 0.00 0.27 0.00 0.00 31.44 30.33 2wqt n GLU 131 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 2wqt s TRP 132 N -2.35 0.72 -0.10 4.31 0.52 -1.08 -4.57 118.94 116.39 2wqt s TRP 132 Ca -0.27 -0.34 0.03 0.00 0.02 0.00 0.00 56.10 55.54 2wqt s TRP 132 Cb 0.06 -0.44 0.00 0.00 -1.15 0.00 0.00 33.47 31.94 2wqt s TRP 132 CO 0.54 -0.03 -0.22 0.54 0.02 0.00 0.00 176.95 177.80 2wqt s VAL 133 N -0.86 1.91 0.04 4.03 0.11 -0.02 -1.08 120.40 124.53 2wqt s VAL 133 Ca -0.04 -0.92 -0.00 0.00 -2.93 0.00 0.00 61.98 58.09 2wqt s VAL 133 Cb -0.07 -1.67 -0.03 0.00 -1.53 0.00 0.00 36.38 33.08 2wqt s VAL 133 CO 0.00 0.53 -0.04 -1.48 -3.33 0.00 0.00 175.10 170.78 2wqt s LEU 134 N 0.51 2.36 0.32 2.54 2.34 -0.29 -1.69 118.68 124.77 2wqt s LEU 134 Ca -0.15 -0.74 -0.27 0.00 0.06 0.00 0.00 54.13 53.03 2wqt s LEU 134 Cb -0.17 0.10 -0.09 0.00 -0.56 0.00 0.00 46.19 45.47 2wqt s LEU 134 CO 0.06 -0.42 1.01 -2.16 -1.06 0.00 0.00 176.35 173.77 2wqt s PRO 135 N -2.61 4.54 0.04 1.48 0.04 -1.26 -0.56 135.00 136.68 2wqt s PRO 135 Ca -0.04 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.52 2wqt s PRO 135 Cb -0.02 -2.91 -0.03 0.00 0.04 0.00 0.00 34.50 31.58 2wqt s PRO 135 CO -0.05 0.20 -0.04 0.00 0.04 0.00 0.00 177.00 177.15 2wqt s ALA 136 N -1.44 0.45 -0.08 8.56 0.00 -0.23 -0.97 121.76 128.04 2wqt s ALA 136 Ca 0.49 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.53 2wqt s ALA 136 Cb -0.24 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 2wqt s ALA 136 CO 0.30 -0.20 -0.07 -0.51 0.00 0.00 0.00 175.76 175.28 2wqt s LEU 137 N -2.15 3.16 -0.20 0.00 1.43 -0.06 -0.71 118.68 120.16 2wqt s LEU 137 Ca -0.04 -0.05 -0.03 0.00 -1.03 0.00 0.00 54.13 52.99 2wqt s LEU 137 Cb -0.02 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.49 2wqt s LEU 137 CO -0.04 0.33 -0.07 -0.70 0.23 0.00 0.00 176.35 176.10 2wqt s GLU 138 N -0.61 3.35 -0.66 1.70 2.12 0.37 -0.92 118.70 124.05 2wqt s GLU 138 Ca 0.09 -0.65 -0.19 0.00 0.36 0.00 0.00 54.97 54.58 2wqt s GLU 138 Cb -0.12 -2.89 0.11 0.00 0.26 0.00 0.00 34.13 31.49 2wqt s GLU 138 CO 0.02 -0.10 0.81 0.08 -0.54 0.00 0.00 175.26 175.52 2wqt s VAL 139 N 1.20 4.77 0.48 3.70 1.01 0.01 -1.30 120.40 130.27 2wqt s VAL 139 Ca 0.02 -1.04 -0.15 0.00 0.00 0.00 0.00 61.98 60.81 2wqt s VAL 139 Cb -0.14 -4.56 -0.08 0.00 0.00 0.00 0.00 36.38 31.60 2wqt s VAL 139 CO -0.02 -1.23 0.92 0.68 0.00 0.00 0.00 175.10 175.45 2wqt s VAL 140 N 2.79 4.60 0.07 2.92 -7.23 0.18 -1.74 120.40 121.99 2wqt s VAL 140 Ca 0.16 1.06 -0.04 0.00 -1.81 0.00 0.00 61.98 61.35 2wqt s VAL 140 Cb -0.20 -3.72 -0.02 0.00 0.56 0.00 0.00 36.38 33.00 2wqt s VAL 140 CO 0.04 -0.63 0.08 -0.83 -0.31 0.00 0.00 175.10 173.45 2wqt s GLY 141 N -3.06 0.34 -0.08 2.32 0.00 -0.41 -1.07 107.32 105.37 2wqt s GLY 141 Ca 0.57 -0.97 0.02 0.00 0.00 0.00 0.00 44.72 44.34 2wqt s GLY 141 CO 0.31 -1.09 -0.15 -0.45 0.00 0.00 0.00 173.10 171.72 2wqt s SER 142 N -2.91 2.18 0.00 1.64 0.15 -0.29 -4.22 113.70 110.27 2wqt s SER 142 Ca 0.08 -0.38 0.30 0.00 0.70 0.00 0.00 55.95 56.65 2wqt s SER 142 Cb 0.07 -0.99 1.41 0.00 -1.71 0.00 0.00 66.02 64.79 2wqt s SER 142 CO -0.09 0.04 1.95 0.54 1.20 0.00 0.00 173.24 176.88 2wqt n ARG 143 N 3.92 1.36 -4.24 5.44 3.00 -1.26 -4.51 116.66 120.36 2wqt n ARG 143 Ca -0.21 -0.55 -0.34 0.00 -0.01 0.00 0.00 57.85 56.74 2wqt n ARG 143 Cb 0.52 -1.49 -0.11 0.00 0.00 0.00 0.00 32.46 31.38 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 -2.01 4.31 -0.15 0.55 1.01 -1.26 -0.84 121.20 122.80 2wqt s ILE 144 Ca 0.42 -0.21 -0.31 0.00 0.00 0.00 0.00 60.65 60.54 2wqt s ILE 144 Cb 0.21 -2.90 -0.15 0.00 0.01 0.00 0.00 42.46 39.64 2wqt s ILE 144 CO 0.35 0.50 0.93 -1.14 0.00 0.00 0.00 174.94 175.59 2wqt n ARG 145 N 3.30 0.00 -2.83 2.79 0.63 0.24 -2.74 116.66 118.04 2wqt n ARG 145 Ca -0.17 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.60 2wqt n ARG 145 Cb 0.53 -1.09 -0.00 0.00 0.45 0.00 0.00 32.46 32.34 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 1.83 -3.46 -2.01 6.15 8.00 -1.26 -1.09 116.55 124.71 2wqt n ASP 146 Ca 0.18 -0.01 -0.13 0.00 0.71 0.00 0.00 54.79 55.54 2wqt n ASP 146 Cb 0.02 -2.93 -0.03 0.00 -0.02 0.00 0.00 41.12 38.17 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 -3.51 -0.98 -2.48 1.24 7.02 -1.11 -4.86 117.44 112.76 2wqt n TRP 147 Ca -0.07 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.01 2wqt n TRP 147 Cb 0.57 -2.72 -0.02 0.00 -2.42 0.00 0.00 31.31 26.71 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 -2.06 6.38 -0.07 -0.99 0.15 -0.25 -4.93 113.70 111.94 2wqt s SER 148 Ca 0.00 -1.80 0.03 0.00 0.70 0.00 0.00 55.95 54.88 2wqt s SER 148 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 2wqt s SER 148 CO 0.00 -1.63 -0.17 -0.51 1.20 0.00 0.00 173.24 172.13 2wqt s ILE 149 N 5.68 1.51 0.48 6.45 1.10 -1.26 -4.78 121.20 130.39 2wqt s ILE 149 Ca 0.53 -0.72 0.07 0.00 -0.51 0.00 0.00 60.65 60.02 2wqt s ILE 149 Cb 0.01 -1.33 0.01 0.00 0.15 0.00 0.00 42.46 41.30 2wqt s ILE 149 CO 0.00 0.44 0.37 -1.10 -2.11 0.00 0.00 174.94 172.54 2wqt s GLN 150 N 0.37 2.34 0.16 3.50 -1.52 -1.26 -4.98 119.66 118.27 2wqt s GLN 150 Ca -0.12 -1.83 -0.24 0.00 -1.95 0.00 0.00 55.36 51.21 2wqt s GLN 150 Cb -0.15 -2.18 0.04 0.00 -0.22 0.00 0.00 33.01 30.50 2wqt s GLN 150 CO 0.05 -0.40 1.59 0.35 -0.25 0.00 0.00 175.29 176.62 2wqt h PHE 151 N 0.94 -1.06 -0.46 0.91 3.57 -1.89 -0.75 116.94 118.21 2wqt h PHE 151 Ca -0.39 0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.21 2wqt h PHE 151 Cb 1.28 0.52 -0.02 0.00 2.79 0.00 0.00 35.95 40.52 2wqt h PHE 151 CO 0.76 -0.41 0.30 0.28 -2.23 0.00 0.00 178.31 177.01 2wqt h VAL 152 N -0.27 1.03 -0.05 1.41 2.07 -1.92 -2.23 116.25 116.28 2wqt h VAL 152 Ca 0.17 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2wqt h VAL 152 Cb 0.56 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2wqt h VAL 152 CO -0.57 0.09 -0.01 0.44 0.02 0.00 0.00 177.57 177.54 2wqt h ASP 153 N 0.49 0.10 0.15 0.57 3.32 -1.54 -2.82 116.42 116.70 2wqt h ASP 153 Ca 0.19 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 2wqt h ASP 153 Cb 0.13 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 2wqt h ASP 153 CO -0.05 0.44 -0.08 0.74 -1.72 0.00 0.00 179.24 178.57 2wqt h THR 154 N -0.24 0.83 -0.20 0.35 2.02 -1.17 -2.14 112.91 112.37 2wqt h THR 154 Ca 0.01 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.24 2wqt h THR 154 Cb 0.39 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.58 2wqt h THR 154 CO 0.00 0.00 -0.07 0.58 0.37 0.00 0.00 175.52 176.40 2wqt h VAL 155 N -0.22 0.75 -0.96 3.16 2.07 -1.47 0.32 116.25 119.89 2wqt h VAL 155 Ca -0.02 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.56 2wqt h VAL 155 Cb 0.18 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 2wqt h VAL 155 CO 0.02 0.00 0.63 0.00 0.02 0.00 0.00 177.57 178.24 2wqt h ALA 156 N 1.15 1.43 -0.12 1.67 0.00 -1.49 -1.83 119.26 120.08 2wqt h ALA 156 Ca 0.10 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2wqt h ALA 156 Cb 0.19 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2wqt h ALA 156 CO -0.23 0.43 0.09 -3.47 0.00 0.00 0.00 179.25 176.08 2wqt n ASP 157 N -4.48 4.16 -3.78 0.00 4.64 -0.09 -3.75 116.55 113.26 2wqt n ASP 157 Ca 0.14 -2.35 -0.26 0.00 -1.38 0.00 0.00 54.79 50.94 2wqt n ASP 157 Cb 0.17 -0.78 0.04 0.00 -1.04 0.00 0.00 41.12 39.51 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 0.69 -3.41 -3.71 1.67 5.15 -0.69 -1.97 115.26 112.98 2wqt n ASN 158 Ca 0.07 -0.76 -0.28 0.00 -0.60 0.00 0.00 54.58 53.01 2wqt n ASN 158 Cb 0.59 -4.12 0.02 0.00 -0.53 0.00 0.00 39.78 35.74 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 -4.54 -1.19 -4.07 5.20 0.00 0.94 -1.95 120.51 114.89 2wqt n ALA 159 Ca -0.11 0.17 -0.31 0.00 0.00 0.00 0.00 53.44 53.19 2wqt n ALA 159 Cb 0.60 -3.99 -0.02 0.00 0.00 0.00 0.00 19.45 16.03 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 -2.66 -1.99 -4.78 0.00 7.64 -0.83 -4.89 113.62 106.11 2wqt n SER 160 Ca 0.02 -0.99 -0.36 0.00 1.01 0.00 0.00 58.87 58.54 2wqt n SER 160 Cb 0.54 -2.98 -0.03 0.00 -1.01 0.00 0.00 64.21 60.72 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 0.33 0.59 3.24 0.00 0.00 -0.98 -4.17 105.19 104.19 2wqt n GLY 162 Ca 0.06 -0.00 -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 0.01 0.09 0.04 1.61 -7.23 -0.71 -4.88 120.40 109.33 2wqt s VAL 163 Ca 0.00 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.16 2wqt s VAL 163 Cb 0.00 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.39 2wqt s VAL 163 CO 0.00 0.00 -0.02 -0.72 -0.31 0.00 0.00 175.10 174.05 2wqt s TYR 164 N -3.98 0.43 -0.02 2.82 1.13 0.17 -0.81 117.35 117.10 2wqt s TYR 164 Ca 0.39 -0.90 0.05 0.00 -1.41 0.00 0.00 57.07 55.19 2wqt s TYR 164 Cb 0.06 -0.32 -0.01 0.00 -1.10 0.00 0.00 41.96 40.59 2wqt s TYR 164 CO 0.15 -0.34 -0.15 0.54 -2.51 0.00 0.00 175.55 173.23 2wqt s VAL 165 N -3.29 1.21 -0.10 -3.49 0.11 -0.10 -0.27 120.40 114.48 2wqt s VAL 165 Ca 0.01 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 58.42 2wqt s VAL 165 Cb 0.03 -1.02 -0.02 0.00 -1.53 0.00 0.00 36.38 33.84 2wqt s VAL 165 CO -0.08 0.35 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.30 2wqt s ILE 166 N -0.28 3.35 0.00 7.04 1.01 -0.80 -0.88 121.20 130.64 2wqt s ILE 166 Ca 0.04 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.11 2wqt s ILE 166 Cb -0.07 -2.39 0.00 0.00 0.01 0.00 0.00 42.46 40.02 2wqt s ILE 166 CO -0.00 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.10 2wqt n GLY 167 N 2.94 3.77 3.80 6.18 0.00 -0.15 -1.37 105.19 120.36 2wqt n GLY 167 Ca -0.18 -1.68 -0.02 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.10 0.68 -0.02 0.00 -1.06 -4.67 107.32 102.15 2wqt s GLY 168 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 44.72 44.58 2wqt s GLY 168 CO 0.00 1.30 1.07 -4.14 0.00 0.00 0.00 173.10 171.33 2wqt s PRO 169 N -2.63 2.93 0.12 2.90 0.02 -1.25 -1.51 135.00 135.58 2wqt s PRO 169 Ca 0.17 1.08 -0.30 0.00 0.02 0.00 0.00 61.00 61.97 2wqt s PRO 169 Cb -0.01 -1.99 -0.07 0.00 0.02 0.00 0.00 34.50 32.46 2wqt s PRO 169 CO 0.03 -1.11 1.16 0.00 -0.33 0.00 0.00 177.00 176.74 2wqt s ALA 170 N -2.82 3.38 0.10 -1.55 0.00 -1.26 -4.65 121.76 114.95 2wqt s ALA 170 Ca 0.60 0.84 0.10 0.00 0.00 0.00 0.00 51.96 53.51 2wqt s ALA 170 Cb -0.15 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 2wqt s ALA 170 CO 0.49 -0.34 -0.27 -0.65 0.00 0.00 0.00 175.76 175.00 2wqt s GLN 171 N 0.37 1.53 0.33 0.00 -1.52 -0.68 -4.98 119.66 114.72 2wqt s GLN 171 Ca 0.54 -1.25 -0.17 0.00 -1.95 0.00 0.00 55.36 52.53 2wqt s GLN 171 Cb -0.30 -1.90 -0.09 0.00 -0.22 0.00 0.00 33.01 30.50 2wqt s GLN 171 CO 0.32 0.47 0.79 1.03 -0.25 0.00 0.00 175.29 177.65 2wqt s ARG 172 N -1.76 4.11 0.35 2.91 1.81 -1.26 -0.84 118.95 124.28 2wqt s ARG 172 Ca 0.13 0.82 0.11 0.00 -1.72 0.00 0.00 55.73 55.07 2wqt s ARG 172 Cb -0.10 -2.45 0.66 0.00 -0.45 0.00 0.00 34.95 32.61 2wqt s ARG 172 CO 0.05 0.15 1.80 -1.00 -0.68 0.00 0.00 175.30 175.62 2wqt h PRO 173 N 2.36 0.05 -6.27 3.54 0.13 -1.85 -3.41 132.00 126.55 2wqt h PRO 173 Ca -0.48 -0.02 -0.61 0.00 -0.87 0.00 0.00 66.00 64.02 2wqt h PRO 173 Cb 1.18 -0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.32 2wqt h PRO 173 CO 0.64 0.43 1.13 0.00 -0.23 0.00 0.00 178.00 179.97 2wqt n ALA 174 N -2.47 0.98 0.00 -0.56 0.00 -1.26 -1.60 120.51 115.60 2wqt n ALA 174 Ca -0.02 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.68 2wqt n ALA 174 Cb 0.42 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.34 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 4.51 2.25 3.73 0.00 0.00 -1.26 -5.02 105.19 109.39 2wqt n GLY 175 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 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 4.41 -0.57 0.99 1.43 -0.63 -4.98 118.68 119.34 2wqt s LEU 176 Ca 0.00 2.34 -0.23 0.00 -1.03 0.00 0.00 54.13 55.21 2wqt s LEU 176 Cb 0.00 -3.60 0.05 0.00 0.03 0.00 0.00 46.19 42.67 2wqt s LEU 176 CO 0.00 -0.51 0.89 -0.62 0.23 0.00 0.00 176.35 176.34 2wqt s ASP 177 N 0.43 6.28 0.05 2.29 3.68 -1.26 -4.87 116.67 123.26 2wqt s ASP 177 Ca 0.57 -0.62 0.23 0.00 2.13 0.00 0.00 52.55 54.86 2wqt s ASP 177 Cb -0.35 -2.41 -0.01 0.00 -1.45 0.00 0.00 42.92 38.70 2wqt s ASP 177 CO 0.36 -1.22 0.96 0.18 0.13 0.00 0.00 175.17 175.58 2wqt n LEU 178 N 7.29 0.58 -0.06 -1.34 4.77 -1.26 -4.24 117.00 122.74 2wqt n LEU 178 Ca -0.01 -0.01 -0.19 0.00 -0.03 0.00 0.00 56.01 55.76 2wqt n LEU 178 Cb 0.47 -0.08 -0.13 0.00 -2.33 0.00 0.00 43.42 41.35 2wqt n LEU 178 CO 0.62 0.03 -0.23 0.50 -1.33 0.00 0.00 177.39 176.98 2wqt h LYS 179 N 0.00 0.07 -0.93 3.23 3.64 -1.92 -3.40 116.57 117.27 2wqt h LYS 179 Ca 0.00 -0.12 -0.59 0.00 -1.27 0.00 0.00 60.65 58.67 2wqt h LYS 179 Cb 0.77 0.04 -0.30 0.00 -0.41 0.00 0.00 32.23 32.34 2wqt h LYS 179 CO 0.00 1.06 0.58 0.09 -2.27 0.00 0.00 179.45 178.90 2wqt n ASN 180 N -4.34 6.13 -4.47 4.20 4.13 -1.26 -2.38 115.26 117.26 2wqt n ASN 180 Ca -0.24 -3.75 -0.43 0.00 1.68 0.00 0.00 54.58 51.85 2wqt n ASN 180 Cb 0.69 -0.85 -0.04 0.00 -1.54 0.00 0.00 39.78 38.03 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 4.12 3.60 -0.15 0.00 0.00 -1.26 -2.68 121.76 125.39 2wqt s ALA 182 Ca 0.25 1.34 0.02 0.00 0.00 0.00 0.00 51.96 53.56 2wqt s ALA 182 Cb -0.15 -3.55 0.02 0.00 0.00 0.00 0.00 23.12 19.43 2wqt s ALA 182 CO 0.13 -0.75 -0.19 1.41 0.00 0.00 0.00 175.76 176.35 2wqt s MET 183 N -0.79 2.82 -0.04 0.00 0.00 0.77 -0.32 119.30 121.74 2wqt s MET 183 Ca 0.57 -0.77 0.06 0.00 0.00 0.00 0.00 55.69 55.55 2wqt s MET 183 Cb -0.42 -2.37 -0.02 0.00 0.00 0.00 0.00 34.83 32.02 2wqt s MET 183 CO 0.47 -0.12 -0.22 0.15 0.00 0.00 0.00 175.02 175.30 2wqt s LYS 184 N 1.08 2.40 -0.05 4.11 3.01 -0.82 -0.56 119.74 128.92 2wqt s LYS 184 Ca -0.01 -0.85 0.04 0.00 -1.01 0.00 0.00 55.97 54.14 2wqt s LYS 184 Cb -0.14 -2.20 -0.00 0.00 -1.01 0.00 0.00 37.83 34.48 2wqt s LYS 184 CO -0.07 0.51 -0.17 1.41 0.51 0.00 0.00 175.35 177.55 2wqt s MET 185 N -0.48 1.85 0.08 1.68 1.75 0.55 -0.59 119.30 124.14 2wqt s MET 185 Ca 0.06 -0.59 0.07 0.00 -1.25 0.00 0.00 55.69 53.98 2wqt s MET 185 Cb -0.11 -1.57 -0.04 0.00 2.84 0.00 0.00 34.83 35.94 2wqt s MET 185 CO 0.01 0.20 -0.13 0.95 -0.65 0.00 0.00 175.02 175.40 2wqt s THR 186 N 0.17 3.14 -0.12 10.11 -4.23 0.87 -0.97 115.64 124.62 2wqt s THR 186 Ca -0.07 -1.24 0.01 0.00 -1.18 0.00 0.00 61.69 59.21 2wqt s THR 186 Cb -0.13 -2.42 -0.01 0.00 1.34 0.00 0.00 72.50 71.28 2wqt s THR 186 CO 0.03 0.20 -0.16 -0.60 -0.54 0.00 0.00 174.62 173.55 2wqt s ARG 187 N -1.91 3.24 -0.84 3.99 3.52 -0.03 -1.31 118.95 125.60 2wqt s ARG 187 Ca 0.18 -0.73 -0.25 0.00 -0.13 0.00 0.00 55.73 54.81 2wqt s ARG 187 Cb -0.11 -2.53 0.03 0.00 -1.56 0.00 0.00 34.95 30.78 2wqt s ARG 187 CO 0.10 0.24 0.47 0.09 -0.81 0.00 0.00 175.30 175.39 2wqt n ASN 188 N 3.43 -2.83 0.00 -2.12 3.02 0.44 -0.49 115.26 116.71 2wqt n ASN 188 Ca -0.18 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.46 2wqt n ASN 188 Cb 0.53 -1.09 0.00 0.00 -0.61 0.00 0.00 39.78 38.61 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 -1.18 0.00 -4.45 6.41 4.13 -1.26 -4.99 115.26 113.92 2wqt n ASN 189 Ca -0.08 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 55.87 2wqt n ASN 189 Cb 0.39 -1.22 -0.13 0.00 -1.54 0.00 0.00 39.78 37.28 2wqt n ASN 189 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 2wqt s GLU 190 N -0.45 2.20 -0.20 3.52 -1.05 0.35 -5.00 118.70 118.07 2wqt s GLU 190 Ca 0.00 -0.89 -0.29 0.00 -0.15 0.00 0.00 54.97 53.64 2wqt s GLU 190 Cb 0.00 -2.23 -0.03 0.00 -0.44 0.00 0.00 34.13 31.43 2wqt s GLU 190 CO 0.00 0.57 1.65 -2.00 0.95 0.00 0.00 175.26 176.43 2wqt s GLU 191 N -1.16 3.82 -0.00 -4.83 2.12 -1.26 -0.86 118.70 116.53 2wqt s GLU 191 Ca 0.13 1.76 0.04 0.00 0.36 0.00 0.00 54.97 57.26 2wqt s GLU 191 Cb -0.10 -4.05 -0.05 0.00 0.26 0.00 0.00 34.13 30.18 2wqt s GLU 191 CO 0.03 -1.27 0.14 1.33 -0.54 0.00 0.00 175.26 174.95 2wqt n VAL 192 N 6.34 0.00 -3.58 3.70 0.24 -0.14 -4.94 118.33 119.94 2wqt n VAL 192 Ca 0.19 -0.27 -0.17 0.00 -2.04 0.00 0.00 64.34 62.05 2wqt n VAL 192 Cb 0.45 0.74 -0.07 0.00 -1.47 0.00 0.00 33.84 33.49 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 -1.87 -0.55 0.22 -1.34 0.15 -1.12 -4.96 113.70 104.23 2wqt s SER 193 Ca 0.00 0.60 -0.16 0.00 0.70 0.00 0.00 55.95 57.10 2wqt s SER 193 Cb 0.03 0.53 0.01 0.00 -1.71 0.00 0.00 66.02 64.88 2wqt s SER 193 CO 0.17 -0.55 0.51 -0.94 1.20 0.00 0.00 173.24 173.63 2wqt s SER 194 N -1.14 -0.18 0.00 5.45 1.04 -1.26 -0.33 113.70 117.28 2wqt s SER 194 Ca -0.11 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.65 2wqt s SER 194 Cb -0.01 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.69 2wqt s SER 194 CO 0.08 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 173.81 2wqt n GLY 195 N -0.35 -0.61 3.54 7.32 0.00 0.28 -4.35 105.19 111.02 2wqt n GLY 195 Ca -0.07 -0.62 -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 -0.66 1.23 0.46 1.61 1.70 -0.98 -0.16 118.95 122.13 2wqt s ARG 196 Ca 0.00 -0.52 0.25 0.00 -0.47 0.00 0.00 55.73 54.99 2wqt s ARG 196 Cb 0.00 0.52 1.28 0.00 -0.57 0.00 0.00 34.95 36.18 2wqt s ARG 196 CO 0.00 -0.54 1.80 0.78 -1.08 0.00 0.00 175.30 176.26 2wqt h GLY 197 N 2.00 0.70 2.00 3.88 0.00 -1.45 -1.75 103.07 108.45 2wqt h GLY 197 Ca -0.28 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 46.93 2wqt h GLY 197 CO 0.33 -0.07 0.00 1.48 0.00 0.00 0.00 176.54 178.27 2wqt h SER 198 N 0.23 0.00 0.99 0.19 4.64 -1.66 -2.39 113.55 115.56 2wqt h SER 198 Ca 0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.88 2wqt h SER 198 Cb 1.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.82 2wqt h SER 198 CO -0.17 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.17 2wqt n GLU 199 N -2.45 0.19 -3.27 4.77 1.02 -0.66 -2.32 120.64 117.92 2wqt n GLU 199 Ca 0.02 0.30 -0.44 0.00 -0.02 0.00 0.00 57.16 57.02 2wqt n GLU 199 Cb 0.26 -1.79 -0.00 0.00 -0.02 0.00 0.00 31.44 29.89 2wqt n GLU 199 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wqt n LEU 201 N 2.31 -1.97 0.00 0.00 4.77 -0.87 -2.07 117.00 119.17 2wqt n LEU 201 Ca 0.24 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 2wqt n LEU 201 Cb 0.37 -2.47 0.00 0.00 -2.33 0.00 0.00 43.42 38.99 2wqt n LEU 201 CO 0.53 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 2wqt n GLY 202 N -1.28 2.79 3.65 -0.72 0.00 -0.98 -4.75 105.19 103.89 2wqt n GLY 202 Ca -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.95 -0.17 0.50 1.61 5.65 -0.88 -4.32 115.29 116.73 2wqt s HIS 203 Ca 0.00 0.36 0.24 0.00 0.25 0.00 0.00 55.06 55.91 2wqt s HIS 203 Cb 0.00 0.20 1.31 0.00 -1.18 0.00 0.00 32.58 32.91 2wqt s HIS 203 CO 0.00 -0.09 1.95 -1.35 -0.65 0.00 0.00 174.74 174.60 2wqt h PRO 204 N 4.85 0.12 0.00 2.88 0.11 -1.68 0.13 132.00 138.41 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 1.17 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2wqt h PRO 204 CO 0.21 0.08 0.00 -0.07 -0.21 0.00 0.00 178.00 178.01 2wqt h LEU 205 N 0.13 0.00 -0.54 2.35 3.38 -1.93 -2.53 115.31 116.16 2wqt h LEU 205 Ca 0.33 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.21 2wqt h LEU 205 Cb 1.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 2wqt h LEU 205 CO -0.04 0.00 -0.01 0.78 0.09 0.00 0.00 178.44 179.26 2wqt h ASN 206 N 0.00 0.95 -0.39 -0.43 2.35 -1.03 0.11 115.58 117.13 2wqt h ASN 206 Ca 0.00 -0.31 -0.00 0.00 -0.55 0.00 0.00 56.30 55.44 2wqt h ASN 206 Cb 0.61 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 2wqt h ASN 206 CO 0.00 1.03 0.24 0.00 -1.65 0.00 0.00 177.43 177.05 2wqt h ALA 207 N 0.95 0.50 -0.59 -0.83 0.00 -1.49 -0.15 119.26 117.64 2wqt h ALA 207 Ca 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2wqt h ALA 207 Cb 0.55 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2wqt h ALA 207 CO 0.03 -0.01 0.38 0.00 0.00 0.00 0.00 179.25 179.65 2wqt h ALA 208 N 1.10 0.75 0.05 0.00 0.00 -1.31 -1.09 119.26 118.77 2wqt h ALA 208 Ca 0.14 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2wqt h ALA 208 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2wqt h ALA 208 CO -0.03 0.20 -0.03 0.28 0.00 0.00 0.00 179.25 179.68 2wqt h VAL 209 N 0.80 0.97 -0.49 0.00 2.07 -0.57 0.70 116.25 119.73 2wqt h VAL 209 Ca 0.21 -0.06 0.09 0.00 0.82 0.00 0.00 66.70 67.76 2wqt h VAL 209 Cb -0.07 1.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.64 2wqt h VAL 209 CO -0.04 0.02 0.06 -0.25 0.02 0.00 0.00 177.57 177.37 2wqt h TRP 210 N -0.10 0.07 -0.00 1.57 7.01 -0.85 -1.72 115.95 121.92 2wqt h TRP 210 Ca -0.01 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.02 2wqt h TRP 210 Cb 0.08 0.04 -0.00 0.00 -2.10 0.00 0.00 29.16 27.18 2wqt h TRP 210 CO -0.07 -0.05 0.00 1.25 -2.79 0.00 0.00 178.44 176.78 2wqt h LEU 211 N 0.18 0.01 -0.89 0.65 5.85 -0.97 -1.94 115.31 118.19 2wqt h LEU 211 Ca 0.25 -0.15 0.14 0.00 0.84 0.00 0.00 57.88 58.96 2wqt h LEU 211 Cb 0.35 -0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.29 2wqt h LEU 211 CO -0.36 0.15 0.49 0.00 -0.34 0.00 0.00 178.44 178.39 2wqt h ALA 212 N 0.85 1.35 0.09 1.25 0.00 -0.48 -0.67 119.26 121.65 2wqt h ALA 212 Ca 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2wqt h ALA 212 Cb 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2wqt h ALA 212 CO -0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 179.25 179.19 2wqt h ARG 213 N 0.71 -0.11 -0.24 0.00 3.08 -1.20 -2.05 114.38 114.57 2wqt h ARG 213 Ca 0.48 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.59 2wqt h ARG 213 Cb 0.63 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.64 2wqt h ARG 213 CO -0.34 0.22 -0.29 0.87 -1.07 0.00 0.00 179.97 179.36 2wqt h LYS 214 N -0.46 -0.30 -0.95 0.04 1.79 -0.83 -0.56 116.57 115.30 2wqt h LYS 214 Ca -0.01 0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.49 2wqt h LYS 214 Cb 0.39 0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 31.06 2wqt h LYS 214 CO 0.02 -0.20 0.62 0.52 -1.08 0.00 0.00 179.45 179.34 2wqt h MET 215 N -0.31 1.22 -0.52 3.15 2.86 -1.15 -0.41 114.93 119.78 2wqt h MET 215 Ca 0.13 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.66 2wqt h MET 215 Cb 0.51 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 2wqt h MET 215 CO -0.41 0.81 0.16 0.00 1.06 0.00 0.00 176.91 178.53 2wqt h ALA 216 N 1.36 0.68 0.00 6.32 0.00 -0.88 -0.75 119.26 125.98 2wqt h ALA 216 Ca 0.35 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2wqt h ALA 216 Cb -0.11 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 2wqt h ALA 216 CO -0.09 0.33 -0.06 0.66 0.00 0.00 0.00 179.25 180.10 2wqt h SER 217 N 0.71 0.00 0.28 0.00 4.64 -0.43 -2.40 113.55 116.34 2wqt h SER 217 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2wqt h SER 217 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2wqt h SER 217 CO -0.01 0.06 -0.04 0.18 -0.87 0.00 0.00 176.83 176.15 2wqt n LEU 218 N -3.14 0.31 -0.37 5.97 4.32 -0.22 -4.90 117.00 118.96 2wqt n LEU 218 Ca 0.02 0.03 -0.05 0.00 -0.02 0.00 0.00 56.01 55.99 2wqt n LEU 218 Cb 0.41 -0.14 -0.02 0.00 -1.62 0.00 0.00 43.42 42.05 2wqt n LEU 218 CO 0.31 0.05 -0.05 0.61 -1.22 0.00 0.00 177.39 177.10 2wqt n GLY 219 N 1.19 0.74 2.58 -0.72 0.00 -0.90 -4.97 105.19 103.11 2wqt n GLY 219 Ca 0.18 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.62 2.47 -1.68 1.61 1.02 -0.31 -5.03 120.64 116.09 2wqt n GLU 220 Ca -0.05 -4.47 -0.39 0.00 -0.02 0.00 0.00 57.16 52.24 2wqt n GLU 220 Cb 0.19 -2.09 0.04 0.00 -0.02 0.00 0.00 31.44 29.56 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 0.42 1.33 -1.81 3.49 -0.02 -1.19 -4.44 135.00 132.77 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 0.44 -2.36 -0.02 0.00 -0.02 0.00 0.00 33.50 31.55 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 -2.60 4.35 0.15 2.45 1.43 -1.26 -4.86 118.68 118.34 2wqt s LEU 222 Ca 0.73 2.91 -0.01 0.00 -1.03 0.00 0.00 54.13 56.72 2wqt s LEU 222 Cb -0.43 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.11 2wqt s LEU 222 CO 0.49 -0.88 0.34 -0.13 0.23 0.00 0.00 176.35 176.39 2wqt s ARG 223 N -0.51 3.52 0.25 1.70 0.52 -1.26 -1.08 118.95 122.09 2wqt s ARG 223 Ca 0.63 -0.32 -0.31 0.00 -0.52 0.00 0.00 55.73 55.21 2wqt s ARG 223 Cb -0.47 -2.90 -0.14 0.00 0.52 0.00 0.00 34.95 31.97 2wqt s ARG 223 CO 0.47 0.48 1.32 -2.37 0.02 0.00 0.00 175.30 175.22 2wqt n THR 224 N -0.23 1.19 0.00 0.02 5.66 -1.23 -1.89 114.28 117.80 2wqt n THR 224 Ca -0.04 -0.30 0.00 0.00 -3.05 0.00 0.00 64.05 60.66 2wqt n THR 224 Cb 0.53 -1.36 0.00 0.00 -1.55 0.00 0.00 70.33 67.95 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 1.85 2.12 3.73 1.09 0.00 -0.24 -4.91 105.19 108.82 2wqt n GLY 225 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 2wqt n GLY 225 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wqt n ASP 226 N 0.00 2.38 -4.74 1.61 10.43 -0.79 -4.65 116.55 120.80 2wqt n ASP 226 Ca 0.00 0.93 -0.36 0.00 2.57 0.00 0.00 54.79 57.93 2wqt n ASP 226 Cb 0.00 -1.56 -0.08 0.00 1.84 0.00 0.00 41.12 41.32 2wqt n ASP 226 CO 0.00 0.00 0.00 -0.51 -1.07 0.00 0.00 177.20 175.62 2wqt s ILE 227 N -1.33 4.71 -0.14 0.53 2.07 -0.38 -2.29 121.20 124.38 2wqt s ILE 227 Ca 0.75 -0.09 0.01 0.00 -1.41 0.00 0.00 60.65 59.91 2wqt s ILE 227 Cb -0.41 -3.02 0.02 0.00 0.13 0.00 0.00 42.46 39.18 2wqt s ILE 227 CO 0.47 0.60 -0.16 -0.63 -1.91 0.00 0.00 174.94 173.30 2wqt s ILE 228 N -0.81 1.68 -0.32 2.00 1.01 0.32 -1.90 121.20 123.18 2wqt s ILE 228 Ca 0.13 -0.72 -0.19 0.00 0.00 0.00 0.00 60.65 59.87 2wqt s ILE 228 Cb -0.12 -1.55 -0.01 0.00 0.01 0.00 0.00 42.46 40.80 2wqt s ILE 228 CO 0.03 0.48 0.57 -0.76 0.00 0.00 0.00 174.94 175.25 2wqt s LEU 229 N 1.26 4.20 0.00 2.97 1.43 -0.68 -0.83 118.68 127.03 2wqt s LEU 229 Ca 0.01 0.26 0.26 0.00 -1.03 0.00 0.00 54.13 53.62 2wqt s LEU 229 Cb -0.14 -2.70 1.08 0.00 0.03 0.00 0.00 46.19 44.46 2wqt s LEU 229 CO -0.08 -0.46 1.75 0.35 0.23 0.00 0.00 176.35 178.15 2wqt n THR 230 N 5.39 0.06 0.00 5.49 -2.24 -0.79 -0.31 114.28 121.87 2wqt n THR 230 Ca -0.03 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2wqt n THR 230 Cb 0.49 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 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 3.73 3.38 0.00 -1.22 -4.75 105.19 110.44 2wqt n GLY 231 Ca 0.18 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 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 -2.73 3.84 -0.29 4.61 0.00 -1.26 -4.34 121.76 121.59 2wqt s ALA 232 Ca 0.00 1.53 0.21 0.00 0.00 0.00 0.00 51.96 53.70 2wqt s ALA 232 Cb 0.00 -3.66 0.13 0.00 0.00 0.00 0.00 23.12 19.59 2wqt s ALA 232 CO 0.00 -0.91 1.30 -0.07 0.00 0.00 0.00 175.76 176.08 2wqt h LEU 233 N 6.12 0.00 -8.10 0.00 3.38 -1.43 -3.40 115.31 111.88 2wqt h LEU 233 Ca -0.44 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 2wqt h LEU 233 Cb 1.21 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 2wqt h LEU 233 CO 0.89 0.12 0.15 -0.83 0.09 0.00 0.00 178.44 178.86 2wqt s GLY 234 N -4.36 0.38 0.45 0.83 0.00 -1.26 -2.33 107.32 101.03 2wqt s GLY 234 Ca 0.03 -0.72 -0.25 0.00 0.00 0.00 0.00 44.72 43.78 2wqt s GLY 234 CO 0.74 -0.37 1.38 -4.14 0.00 0.00 0.00 173.10 170.71 2wqt s PRO 235 N -3.18 3.68 0.64 2.90 0.02 -1.26 -4.70 135.00 133.10 2wqt s PRO 235 Ca 0.17 2.31 -0.14 0.00 0.02 0.00 0.00 61.00 63.36 2wqt s PRO 235 Cb -0.04 -2.62 -0.02 0.00 0.02 0.00 0.00 34.50 31.84 2wqt s PRO 235 CO 0.11 -0.78 1.06 0.00 -0.33 0.00 0.00 177.00 177.06 2wqt s MET 236 N -2.47 3.13 0.09 5.54 0.23 -1.26 -4.81 119.30 119.75 2wqt s MET 236 Ca 0.61 1.12 0.05 0.00 -1.03 0.00 0.00 55.69 56.45 2wqt s MET 236 Cb -0.41 -2.01 -0.03 0.00 -1.53 0.00 0.00 34.83 30.84 2wqt s MET 236 CO 0.53 -0.96 -0.12 0.14 -2.03 0.00 0.00 175.02 172.58 2wqt s VAL 237 N -2.67 1.07 0.29 5.16 -7.23 -0.73 -4.96 120.40 111.34 2wqt s VAL 237 Ca 0.62 -1.52 -0.29 0.00 -1.81 0.00 0.00 61.98 58.98 2wqt s VAL 237 Cb -0.15 -1.26 -0.10 0.00 0.56 0.00 0.00 36.38 35.42 2wqt s VAL 237 CO 0.44 -0.40 1.17 0.00 -0.31 0.00 0.00 175.10 176.00 2wqt s ALA 238 N -1.92 3.44 -0.16 1.32 0.00 -1.26 -1.78 121.76 121.40 2wqt s ALA 238 Ca 0.03 1.02 -0.13 0.00 0.00 0.00 0.00 51.96 52.87 2wqt s ALA 238 Cb -0.06 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 2wqt s ALA 238 CO 0.02 -0.33 0.28 0.08 0.00 0.00 0.00 175.76 175.81 2wqt s VAL 239 N -1.05 5.31 0.24 0.00 1.01 -0.54 -4.88 120.40 120.48 2wqt s VAL 239 Ca 0.47 0.53 0.10 0.00 0.00 0.00 0.00 61.98 63.07 2wqt s VAL 239 Cb -0.34 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 2wqt s VAL 239 CO 0.44 0.40 -0.06 0.20 0.00 0.00 0.00 175.10 176.08 2wqt s ASN 240 N 0.36 4.30 0.18 3.32 0.02 -1.26 -4.71 114.94 117.15 2wqt s ASN 240 Ca 0.16 -0.69 -0.33 0.00 -1.02 0.00 0.00 52.86 50.99 2wqt s ASN 240 Cb -0.13 -0.72 -0.15 0.00 0.02 0.00 0.00 41.25 40.27 2wqt s ASN 240 CO 0.04 0.04 1.18 0.00 0.02 0.00 0.00 177.10 178.38 2wqt n ALA 241 N -0.55 -0.61 -0.03 0.60 0.00 -1.26 -1.90 120.51 116.75 2wqt n ALA 241 Ca -0.08 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2wqt n ALA 241 Cb 0.58 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.98 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 2.02 2.67 3.76 0.00 0.00 0.47 -4.97 105.19 109.13 2wqt n GLY 242 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2wqt n GLY 242 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wqt n ASP 243 N 0.00 3.80 -4.34 1.61 10.43 -0.80 -4.62 116.55 122.64 2wqt n ASP 243 Ca 0.00 1.19 -0.35 0.00 2.57 0.00 0.00 54.79 58.20 2wqt n ASP 243 Cb 0.00 -1.61 -0.14 0.00 1.84 0.00 0.00 41.12 41.22 2wqt n ASP 243 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 2wqt s ARG 244 N -1.36 3.44 -0.12 -1.24 3.52 -1.26 -0.92 118.95 121.01 2wqt s ARG 244 Ca 0.58 -0.59 -0.03 0.00 -0.13 0.00 0.00 55.73 55.56 2wqt s ARG 244 Cb -0.49 -3.06 -0.03 0.00 -1.56 0.00 0.00 34.95 29.81 2wqt s ARG 244 CO 0.57 -0.17 -0.01 -0.06 -0.81 0.00 0.00 175.30 174.82 2wqt s PHE 245 N 1.44 3.11 -0.05 5.12 0.40 0.93 -0.42 117.98 128.52 2wqt s PHE 245 Ca 0.05 0.02 0.01 0.00 -0.60 0.00 0.00 56.93 56.41 2wqt s PHE 245 Cb -0.14 -1.87 0.02 0.00 0.51 0.00 0.00 43.02 41.54 2wqt s PHE 245 CO -0.02 0.27 -0.05 -2.00 0.70 0.00 0.00 175.22 174.12 2wqt s GLU 246 N -0.34 0.92 -0.08 0.44 2.12 -0.43 -0.77 118.70 120.55 2wqt s GLU 246 Ca 0.07 -0.13 -0.00 0.00 0.36 0.00 0.00 54.97 55.26 2wqt s GLU 246 Cb -0.12 -0.90 -0.03 0.00 0.26 0.00 0.00 34.13 33.34 2wqt s GLU 246 CO 0.02 -0.07 -0.04 0.00 -0.54 0.00 0.00 175.26 174.63 2wqt s ALA 247 N 0.91 3.10 -0.18 6.30 0.00 0.41 -0.09 121.76 132.21 2wqt s ALA 247 Ca -0.11 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.00 2wqt s ALA 247 Cb -0.14 -1.34 0.04 0.00 0.00 0.00 0.00 23.12 21.68 2wqt s ALA 247 CO 0.00 0.57 -0.10 -1.01 0.00 0.00 0.00 175.76 175.22 2wqt s HIS 248 N -0.80 2.27 -0.34 0.00 0.09 0.25 -1.16 115.29 115.59 2wqt s HIS 248 Ca 0.12 -1.44 -0.05 0.00 -0.00 0.00 0.00 55.06 53.69 2wqt s HIS 248 Cb -0.11 -1.59 0.05 0.00 -0.00 0.00 0.00 32.58 30.94 2wqt s HIS 248 CO 0.02 -0.71 0.10 0.42 -0.00 0.00 0.00 174.74 174.57 2wqt s ILE 249 N 1.45 3.52 0.07 0.60 1.01 0.04 -1.94 121.20 125.95 2wqt s ILE 249 Ca 0.00 -1.34 -0.36 0.00 0.00 0.00 0.00 60.65 58.95 2wqt s ILE 249 Cb -0.15 -3.07 -0.15 0.00 0.01 0.00 0.00 42.46 39.10 2wqt s ILE 249 CO -0.09 -0.25 1.50 1.21 0.00 0.00 0.00 174.94 177.32 2wqt n GLU 250 N 4.74 1.60 -0.20 2.79 2.13 0.57 -1.44 120.64 130.83 2wqt n GLU 250 Ca -0.11 0.58 0.00 0.00 0.66 0.00 0.00 57.16 58.29 2wqt n GLU 250 Cb 0.44 -2.29 0.00 0.00 0.27 0.00 0.00 31.44 29.86 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 3.14 1.99 0.97 8.31 0.00 -1.26 -4.45 105.19 113.89 2wqt n GLY 251 Ca 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.20 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 0.58 -0.78 -0.61 5.41 -0.52 -4.84 119.36 116.61 2wqt n ILE 252 Ca 0.00 0.16 0.00 0.00 1.00 0.00 0.00 62.75 63.91 2wqt n ILE 252 Cb 0.00 -1.57 0.00 0.00 -0.71 0.00 0.00 39.64 37.36 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 3.11 -0.11 3.16 7.39 0.00 -0.70 -3.97 105.19 114.07 2wqt n GLY 253 Ca -0.02 -1.11 -0.09 0.00 0.00 0.00 0.00 46.02 44.79 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 0.14 0.02 1.61 1.04 -0.57 -0.78 113.70 111.16 2wqt s SER 254 Ca 0.00 -0.55 0.02 0.00 0.48 0.00 0.00 55.95 55.90 2wqt s SER 254 Cb 0.00 0.27 -0.01 0.00 0.10 0.00 0.00 66.02 66.38 2wqt s SER 254 CO 0.00 -0.59 -0.06 -0.69 0.98 0.00 0.00 173.24 172.88 2wqt s VAL 255 N -3.04 0.41 0.03 5.02 1.01 -0.31 -2.56 120.40 120.96 2wqt s VAL 255 Ca -0.01 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.36 2wqt s VAL 255 Cb 0.01 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.95 2wqt s VAL 255 CO -0.07 -0.15 -0.07 0.00 0.00 0.00 0.00 175.10 174.82 2wqt s ALA 256 N -0.75 0.52 -0.07 5.51 0.00 -1.26 -0.45 121.76 125.27 2wqt s ALA 256 Ca -0.05 -0.62 -0.12 0.00 0.00 0.00 0.00 51.96 51.18 2wqt s ALA 256 Cb -0.06 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.09 2wqt s ALA 256 CO 0.00 0.01 0.29 0.00 0.00 0.00 0.00 175.76 176.06 2wqt s ALA 257 N -1.05 -0.72 -0.03 0.00 0.00 0.05 -0.71 121.76 119.30 2wqt s ALA 257 Ca -0.07 0.59 0.07 0.00 0.00 0.00 0.00 51.96 52.55 2wqt s ALA 257 Cb -0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 2wqt s ALA 257 CO 0.00 -0.19 -0.22 0.99 0.00 0.00 0.00 175.76 176.34 2wqt s THR 258 N -0.47 1.78 -0.12 0.00 2.01 -1.04 -0.05 115.64 117.75 2wqt s THR 258 Ca -0.06 -0.95 -0.06 0.00 0.31 0.00 0.00 61.69 60.93 2wqt s THR 258 Cb -0.04 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.95 2wqt s THR 258 CO 0.02 0.50 0.12 -0.36 -0.69 0.00 0.00 174.62 174.21 2wqt s PHE 259 N -0.42 3.53 0.00 4.92 0.08 -0.10 -0.12 117.98 125.88 2wqt s PHE 259 Ca 0.06 0.47 0.00 0.00 0.12 0.00 0.00 56.93 57.58 2wqt s PHE 259 Cb -0.10 -1.92 0.00 0.00 -0.57 0.00 0.00 43.02 40.43 2wqt s PHE 259 CO 0.00 0.69 0.00 -1.13 -0.10 0.00 0.00 175.22 174.68 2wqt n SER 260 N 2.04 -0.04 -0.30 1.36 3.41 -0.35 -2.20 113.62 117.53 2wqt n SER 260 Ca -0.20 -0.02 0.04 0.00 -0.26 0.00 0.00 58.87 58.43 2wqt n SER 260 Cb 0.55 0.00 0.03 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