#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 0.19 -0.01 3.23 2.86 -2.08 -3.37 114.93 115.75 2wqt h MET 1 Ca 0.00 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 2wqt h MET 1 Cb 0.00 0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.78 2wqt h MET 1 CO 0.00 1.15 -0.05 0.25 1.06 0.00 0.00 176.91 179.33 2wqt n THR 2 N -4.09 0.00 -0.34 2.22 -2.24 -1.26 -4.33 114.28 104.24 2wqt n THR 2 Ca -0.23 -0.25 -0.02 0.00 -2.27 0.00 0.00 64.05 61.28 2wqt n THR 2 Cb 0.82 0.57 0.11 0.00 -2.10 0.00 0.00 70.33 69.73 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 2.35 1.16 -0.58 -0.78 3.64 -2.00 0.17 116.57 120.54 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 0.54 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 2wqt h LYS 3 CO 0.00 0.77 0.18 1.25 -2.27 0.00 0.00 179.45 179.38 2wqt h HIS 4 N 1.20 0.94 -0.71 1.91 2.76 -1.85 -1.57 115.15 117.83 2wqt h HIS 4 Ca 0.36 -0.09 -0.03 0.00 -2.20 0.00 0.00 60.37 58.40 2wqt h HIS 4 Cb -0.06 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 28.60 2wqt h HIS 4 CO -0.01 0.78 0.33 1.15 -1.30 0.00 0.00 177.93 178.88 2wqt h THR 5 N 0.82 1.23 -0.38 6.26 2.02 -1.65 -2.01 112.91 119.20 2wqt h THR 5 Ca 0.19 -0.66 -0.03 0.00 0.77 0.00 0.00 66.41 66.68 2wqt h THR 5 Cb 0.29 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 2wqt h THR 5 CO -0.01 0.28 0.14 -0.07 0.37 0.00 0.00 175.52 176.23 2wqt h LEU 6 N 1.01 0.54 -0.85 2.58 4.07 -0.60 -0.70 115.31 121.36 2wqt h LEU 6 Ca 0.24 -0.19 0.05 0.00 0.08 0.00 0.00 57.88 58.07 2wqt h LEU 6 Cb 0.12 -0.14 -0.06 0.00 1.08 0.00 0.00 40.66 41.66 2wqt h LEU 6 CO -0.03 0.58 0.53 -0.33 -1.08 0.00 0.00 178.44 178.11 2wqt h GLU 7 N 0.47 0.97 -0.21 1.13 4.39 -1.02 0.24 114.58 120.55 2wqt h GLU 7 Ca 0.12 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 2wqt h GLU 7 Cb 0.22 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2wqt h GLU 7 CO -0.01 0.64 0.08 1.96 -1.16 0.00 0.00 179.01 180.53 2wqt h GLN 8 N 1.00 0.31 -0.64 2.33 4.20 -0.90 -1.64 115.11 119.77 2wqt h GLN 8 Ca 0.36 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 58.92 2wqt h GLN 8 Cb 0.10 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 2wqt h GLN 8 CO -0.15 0.37 0.06 -0.07 -0.67 0.00 0.00 178.83 178.37 2wqt h LEU 9 N 0.18 1.06 -0.63 1.46 3.38 -0.89 -1.32 115.31 118.55 2wqt h LEU 9 Ca 0.07 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 57.81 2wqt h LEU 9 Cb 0.18 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 2wqt h LEU 9 CO -0.01 1.08 0.35 0.00 0.09 0.00 0.00 178.44 179.95 2wqt h ALA 10 N 1.02 0.83 -0.63 1.53 0.00 -0.84 -1.16 119.26 120.01 2wqt h ALA 10 Ca 0.19 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 2wqt h ALA 10 Cb 0.50 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2wqt h ALA 10 CO 0.02 0.03 0.09 0.00 0.00 0.00 0.00 179.25 179.39 2wqt h ALA 11 N 1.32 0.97 -0.65 0.00 0.00 -1.00 -1.73 119.26 118.17 2wqt h ALA 11 Ca 0.28 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.95 2wqt h ALA 11 Cb 0.16 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2wqt h ALA 11 CO -0.17 0.64 0.40 -0.44 0.00 0.00 0.00 179.25 179.69 2wqt h ASP 12 N 0.96 0.66 -0.47 0.00 3.32 -0.62 -0.85 116.42 119.43 2wqt h ASP 12 Ca 0.19 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.18 2wqt h ASP 12 Cb 0.44 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 2wqt h ASP 12 CO 0.01 0.46 0.09 -0.07 -1.72 0.00 0.00 179.24 178.01 2wqt h LEU 13 N 0.79 0.79 -0.29 1.55 4.07 -0.93 -0.71 115.31 120.56 2wqt h LEU 13 Ca 0.26 -0.16 -0.09 0.00 0.08 0.00 0.00 57.88 57.97 2wqt h LEU 13 Cb 0.02 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.55 2wqt h LEU 13 CO -0.11 0.80 -0.18 0.03 -1.08 0.00 0.00 178.44 177.90 2wqt h ARG 14 N 0.80 0.64 -0.67 1.13 3.08 -0.84 -2.68 114.38 115.84 2wqt h ARG 14 Ca 0.17 -0.30 -0.07 0.00 0.07 0.00 0.00 59.98 59.85 2wqt h ARG 14 Cb 0.35 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 2wqt h ARG 14 CO 0.01 0.89 0.14 -0.09 -1.07 0.00 0.00 179.97 179.84 2wqt h ARG 15 N 0.39 1.09 -0.54 0.04 2.43 -1.06 -1.35 114.38 115.37 2wqt h ARG 15 Ca 0.06 -0.28 0.10 0.00 -0.81 0.00 0.00 59.98 59.06 2wqt h ARG 15 Cb 0.72 -0.14 -0.08 0.00 -0.42 0.00 0.00 29.97 30.05 2wqt h ARG 15 CO 0.05 0.99 0.06 0.00 -1.51 0.00 0.00 179.97 179.56 2wqt h ALA 16 N 1.06 0.58 -0.23 2.80 0.00 -1.04 -0.75 119.26 121.68 2wqt h ALA 16 Ca 0.21 0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.19 2wqt h ALA 16 Cb 0.40 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2wqt h ALA 16 CO 0.01 -0.35 -0.12 0.00 0.00 0.00 0.00 179.25 178.79 2wqt h ALA 17 N 1.45 0.32 -0.68 0.00 0.00 -1.12 -1.26 119.26 117.96 2wqt h ALA 17 Ca 0.28 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.94 2wqt h ALA 17 Cb 0.41 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2wqt h ALA 17 CO -0.40 0.18 0.45 0.93 0.00 0.00 0.00 179.25 180.41 2wqt h GLU 18 N 0.20 0.71 0.00 0.00 5.08 -0.93 -3.08 114.58 116.57 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 0.62 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2wqt h GLU 18 CO 0.04 0.47 -1.15 1.04 -1.00 0.00 0.00 179.01 178.41 2wqt n GLN 19 N -4.47 0.25 -2.68 2.33 6.02 -0.32 -4.97 117.38 113.55 2wqt n GLN 19 Ca 0.10 -0.03 -0.19 0.00 -0.01 0.00 0.00 57.00 56.86 2wqt n GLN 19 Cb 0.20 -1.55 0.01 0.00 1.02 0.00 0.00 30.24 29.92 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 -0.40 2.97 1.08 0.00 -0.51 -5.00 105.19 104.72 2wqt n GLY 20 Ca 0.02 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -5.29 1.93 0.47 1.61 2.02 -0.98 -5.06 118.70 113.40 2wqt s GLU 21 Ca 0.15 -0.67 -0.22 0.00 0.02 0.00 0.00 54.97 54.26 2wqt s GLU 21 Cb -0.07 -2.20 -0.08 0.00 0.10 0.00 0.00 34.13 31.89 2wqt s GLU 21 CO 0.19 -0.37 1.10 0.00 0.02 0.00 0.00 175.26 176.19 2wqt s ALA 22 N 1.49 2.90 0.42 5.21 0.00 -1.26 -4.44 121.76 126.08 2wqt s ALA 22 Ca 0.01 0.77 0.08 0.00 0.00 0.00 0.00 51.96 52.81 2wqt s ALA 22 Cb -0.15 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 2wqt s ALA 22 CO -0.09 -0.49 0.34 0.96 0.00 0.00 0.00 175.76 176.48 2wqt s ILE 23 N -1.74 2.58 0.56 0.00 -4.36 0.11 -4.63 121.20 113.72 2wqt s ILE 23 Ca 0.66 -1.41 -0.18 0.00 -0.26 0.00 0.00 60.65 59.45 2wqt s ILE 23 Cb -0.23 -3.00 -0.05 0.00 1.25 0.00 0.00 42.46 40.44 2wqt s ILE 23 CO 0.27 0.00 1.10 0.00 0.24 0.00 0.00 174.94 176.55 2wqt s ALA 24 N -2.50 2.69 0.46 2.27 0.00 -1.26 -0.34 121.76 123.08 2wqt s ALA 24 Ca 0.47 0.70 -0.23 0.00 0.00 0.00 0.00 51.96 52.89 2wqt s ALA 24 Cb -0.02 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.69 2wqt s ALA 24 CO 0.27 -0.78 1.13 -2.30 0.00 0.00 0.00 175.76 174.07 2wqt n PRO 25 N -1.51 1.51 0.02 0.00 -0.02 -1.26 -4.87 135.00 128.87 2wqt n PRO 25 Ca 0.11 0.55 0.12 0.00 -2.02 0.00 0.00 63.50 62.26 2wqt n PRO 25 Cb 0.52 -2.23 0.32 0.00 -0.02 0.00 0.00 33.50 32.08 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 0.05 0.46 -0.23 2.45 4.32 -1.26 -4.59 117.00 118.20 2wqt n LEU 26 Ca 0.09 0.19 0.02 0.00 -0.02 0.00 0.00 56.01 56.29 2wqt n LEU 26 Cb 0.41 -0.29 0.14 0.00 -1.62 0.00 0.00 43.42 42.06 2wqt n LEU 26 CO 0.56 0.04 1.02 0.08 -1.22 0.00 0.00 177.39 177.86 2wqt h ARG 27 N 0.00 0.46 0.00 3.23 0.11 -1.93 -1.20 114.38 115.05 2wqt h ARG 27 Ca 0.00 -0.03 -0.10 0.00 0.10 0.00 0.00 59.98 59.95 2wqt h ARG 27 Cb 0.57 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 31.54 2wqt h ARG 27 CO 0.00 0.30 -0.49 -0.44 0.10 0.00 0.00 179.97 179.44 2wqt h ASP 28 N 0.47 0.00 1.12 0.08 3.32 -1.91 0.26 116.42 119.76 2wqt h ASP 28 Ca 0.35 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.28 2wqt h ASP 28 Cb 0.46 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 2wqt h ASP 28 CO -0.33 0.49 -0.58 -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 -1.54 -3.34 115.31 116.06 2wqt h LEU 29 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2wqt h LEU 29 Cb 0.91 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.65 2wqt h LEU 29 CO 0.06 0.58 -1.15 2.30 -1.08 0.00 0.00 178.44 179.15 2wqt n ILE 30 N -3.39 0.00 0.00 1.22 -5.35 -1.02 -5.10 119.36 105.72 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 0.50 0.00 0.00 -1.74 0.00 0.00 39.64 39.10 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 1.68 1.58 0.43 3.28 0.00 0.92 -4.54 105.19 108.54 2wqt n GLY 31 Ca -0.01 -1.30 0.24 0.00 0.00 0.00 0.00 46.02 44.96 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 0.54 -1.13 -0.61 2.10 -1.90 -1.03 117.51 115.49 2wqt h ILE 32 Ca 0.00 -0.10 -0.56 0.00 1.08 0.00 0.00 64.86 65.28 2wqt h ILE 32 Cb 0.00 0.22 -0.42 0.00 -1.09 0.00 0.00 36.82 35.52 2wqt h ILE 32 CO 0.00 0.05 -0.79 -0.90 -1.08 0.00 0.00 178.15 175.43 2wqt n ASP 33 N -4.50 4.67 -4.35 2.19 5.75 -1.26 -4.51 116.55 114.55 2wqt n ASP 33 Ca 0.23 -3.67 -0.44 0.00 -0.01 0.00 0.00 54.79 50.90 2wqt n ASP 33 Cb 0.90 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 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 -0.58 5.43 -0.16 -1.12 2.85 -0.39 -4.85 115.26 116.44 2wqt n ASN 34 Ca 0.40 -3.04 -0.08 0.00 -0.11 0.00 0.00 54.58 51.74 2wqt n ASN 34 Cb 0.81 -1.46 0.00 0.00 1.24 0.00 0.00 39.78 40.38 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 6.72 0.60 -0.82 5.20 0.00 -1.89 -2.82 119.26 126.25 2wqt h ALA 35 Ca 0.25 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.16 2wqt h ALA 35 Cb 0.84 -0.18 -0.09 0.00 0.00 0.00 0.00 17.79 18.36 2wqt h ALA 35 CO 1.17 0.20 0.41 1.49 0.00 0.00 0.00 179.25 182.52 2wqt h GLU 36 N 0.60 0.59 -0.27 0.00 4.81 -2.00 -1.50 114.58 116.82 2wqt h GLU 36 Ca 0.15 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.25 2wqt h GLU 36 Cb 0.18 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2wqt h GLU 36 CO -0.01 0.39 -0.20 0.00 -0.73 0.00 0.00 179.01 178.45 2wqt h ALA 37 N 1.54 0.38 -0.60 2.92 0.00 -1.92 -1.76 119.26 119.81 2wqt h ALA 37 Ca 0.44 -0.36 0.05 0.00 0.00 0.00 0.00 54.91 55.04 2wqt h ALA 37 Cb 0.60 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 2wqt h ALA 37 CO -0.35 0.32 0.33 0.00 0.00 0.00 0.00 179.25 179.56 2wqt h ALA 38 N 0.71 0.79 -0.28 0.00 0.00 -1.16 -0.25 119.26 119.08 2wqt h ALA 38 Ca 0.05 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2wqt h ALA 38 Cb 0.75 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2wqt h ALA 38 CO 0.05 0.01 -0.12 1.88 0.00 0.00 0.00 179.25 181.08 2wqt h TYR 39 N 0.63 0.50 -0.59 0.00 -1.99 -1.26 -2.22 116.97 112.03 2wqt h TYR 39 Ca 0.26 -0.07 -0.09 0.00 2.00 0.00 0.00 58.73 60.83 2wqt h TYR 39 Cb 0.14 -0.14 -0.02 0.00 2.00 0.00 0.00 36.73 38.71 2wqt h TYR 39 CO -0.08 0.58 0.03 0.00 -0.00 0.00 0.00 178.16 178.68 2wqt h ALA 40 N 1.44 0.80 -0.26 3.88 0.00 -0.33 0.04 119.26 124.83 2wqt h ALA 40 Ca 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2wqt h ALA 40 Cb 0.47 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2wqt h ALA 40 CO 0.03 0.61 0.14 0.82 0.00 0.00 0.00 179.25 180.85 2wqt h ILE 41 N 0.93 1.13 -0.56 0.00 2.04 -0.89 0.81 117.51 120.97 2wqt h ILE 41 Ca 0.17 -0.34 0.06 0.00 1.00 0.00 0.00 64.86 65.75 2wqt h ILE 41 Cb 0.52 0.89 -0.06 0.00 -0.74 0.00 0.00 36.82 37.43 2wqt h ILE 41 CO 0.03 0.13 0.26 -0.61 0.00 0.00 0.00 178.15 177.95 2wqt h GLN 42 N 0.30 0.47 -0.32 2.37 4.15 -1.24 -2.49 115.11 118.35 2wqt h GLN 42 Ca 0.09 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.48 2wqt h GLN 42 Cb 0.08 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 2wqt h GLN 42 CO -0.01 0.31 0.19 1.25 -1.93 0.00 0.00 178.83 178.64 2wqt h HIS 43 N 0.49 0.42 -0.50 3.99 2.76 -0.69 -0.23 115.15 121.38 2wqt h HIS 43 Ca 0.26 -0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.53 2wqt h HIS 43 Cb 0.23 -0.14 -0.10 0.00 1.55 0.00 0.00 27.41 28.95 2wqt h HIS 43 CO -0.12 0.31 -0.15 0.82 -1.30 0.00 0.00 177.93 177.49 2wqt h ILE 44 N 0.41 0.46 -0.19 6.26 1.08 -0.61 0.58 117.51 125.50 2wqt h ILE 44 Ca 0.11 0.00 -0.13 0.00 -0.39 0.00 0.00 64.86 64.45 2wqt h ILE 44 Cb 0.01 0.46 -0.01 0.00 -3.07 0.00 0.00 36.82 34.21 2wqt h ILE 44 CO -0.02 0.00 -0.45 0.78 -0.69 0.00 0.00 178.15 177.77 2wqt h ASN 45 N -0.03 0.52 -0.25 1.72 2.35 -1.06 -0.17 115.58 118.65 2wqt h ASN 45 Ca 0.24 -0.24 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 2wqt h ASN 45 Cb 0.39 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 2wqt h ASN 45 CO -0.53 0.89 0.04 0.58 -1.65 0.00 0.00 177.43 176.76 2wqt h VAL 46 N 0.39 1.23 -0.89 2.81 2.07 -0.66 -2.33 116.25 118.87 2wqt h VAL 46 Ca 0.03 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 66.78 2wqt h VAL 46 Cb 0.94 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.91 2wqt h VAL 46 CO 0.08 0.25 0.59 -0.61 0.02 0.00 0.00 177.57 177.90 2wqt h GLN 47 N 0.23 1.16 -0.27 1.57 5.75 -0.64 -0.13 115.11 122.78 2wqt h GLN 47 Ca 0.08 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2wqt h GLN 47 Cb 0.33 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 2wqt h GLN 47 CO 0.01 0.76 0.15 1.25 -2.65 0.00 0.00 178.83 178.35 2wqt h HIS 48 N 1.19 0.37 -0.50 3.99 2.76 -0.99 -2.25 115.15 119.72 2wqt h HIS 48 Ca 0.33 -0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.39 2wqt h HIS 48 Cb -0.12 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 28.70 2wqt h HIS 48 CO -0.01 0.30 -0.11 -0.44 -1.30 0.00 0.00 177.93 176.38 2wqt h ASP 49 N 0.32 0.91 -0.94 3.26 5.19 -0.92 -2.90 116.42 121.36 2wqt h ASP 49 Ca 0.09 -0.29 0.01 0.00 -0.62 0.00 0.00 57.03 56.22 2wqt h ASP 49 Cb 0.06 -0.25 -0.05 0.00 0.18 0.00 0.00 39.33 39.27 2wqt h ASP 49 CO -0.02 1.03 0.61 0.58 -3.12 0.00 0.00 179.24 178.32 2wqt h VAL 50 N 0.82 1.24 0.00 -1.35 2.07 -0.94 -1.19 116.25 116.90 2wqt h VAL 50 Ca 0.13 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 2wqt h VAL 50 Cb 0.64 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 2wqt h VAL 50 CO 0.04 0.24 -0.04 0.00 0.02 0.00 0.00 177.57 177.83 2wqt h ALA 51 N 1.40 1.19 -0.50 1.67 0.00 -1.20 0.49 119.26 122.30 2wqt h ALA 51 Ca 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2wqt h ALA 51 Cb -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2wqt h ALA 51 CO -0.07 0.05 0.00 1.04 0.00 0.00 0.00 179.25 180.27 2wqt n GLN 52 N -3.41 2.35 -0.53 0.00 6.02 -0.52 -4.94 117.38 116.35 2wqt n GLN 52 Ca -0.02 -1.88 0.00 0.00 -0.01 0.00 0.00 57.00 55.09 2wqt n GLN 52 Cb 0.17 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 29.96 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 1.22 0.74 3.74 1.08 0.00 0.16 -5.04 105.19 107.09 2wqt n GLY 53 Ca 0.17 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 -0.47 4.39 -0.27 1.61 3.52 -0.81 -4.99 118.95 121.92 2wqt s ARG 54 Ca 0.00 2.07 -0.10 0.00 -0.13 0.00 0.00 55.73 57.57 2wqt s ARG 54 Cb 0.00 -3.18 -0.04 0.00 -1.56 0.00 0.00 34.95 30.17 2wqt s ARG 54 CO 0.00 -0.24 0.15 0.50 -0.81 0.00 0.00 175.30 174.91 2wqt s ARG 55 N -0.33 3.82 0.08 5.12 3.52 -1.26 -4.26 118.95 125.64 2wqt s ARG 55 Ca 0.56 -0.40 -0.31 0.00 -0.13 0.00 0.00 55.73 55.45 2wqt s ARG 55 Cb -0.37 -3.56 -0.06 0.00 -1.56 0.00 0.00 34.95 29.40 2wqt s ARG 55 CO 0.40 -0.20 1.27 0.08 -0.81 0.00 0.00 175.30 176.04 2wqt s VAL 56 N 1.71 3.76 -0.08 7.11 1.01 -1.26 -0.98 120.40 131.67 2wqt s VAL 56 Ca 0.07 1.27 0.02 0.00 0.00 0.00 0.00 61.98 63.34 2wqt s VAL 56 Cb -0.16 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 2wqt s VAL 56 CO 0.09 0.10 0.09 1.33 0.00 0.00 0.00 175.10 176.70 2wqt n VAL 57 N 3.91 0.00 -3.49 2.92 0.24 -0.08 -4.87 118.33 116.96 2wqt n VAL 57 Ca 0.10 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 2wqt n VAL 57 Cb 0.45 0.86 0.00 0.00 -1.47 0.00 0.00 33.84 33.68 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 1.39 -0.52 3.25 7.63 0.00 -1.20 -1.02 105.19 114.72 2wqt n GLY 58 Ca 0.00 -0.93 -0.14 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.32 1.07 -0.06 1.61 1.81 -0.79 -1.19 118.95 120.08 2wqt s ARG 59 Ca 0.00 -1.47 0.05 0.00 -1.72 0.00 0.00 55.73 52.59 2wqt s ARG 59 Cb 0.00 -0.53 -0.02 0.00 -0.45 0.00 0.00 34.95 33.95 2wqt s ARG 59 CO 0.00 0.02 -0.20 0.21 -0.68 0.00 0.00 175.30 174.65 2wqt s LYS 60 N -3.79 2.58 -0.21 3.54 2.36 -0.06 -1.68 119.74 122.48 2wqt s LYS 60 Ca 0.18 -0.82 -0.10 0.00 -2.55 0.00 0.00 55.97 52.68 2wqt s LYS 60 Cb 0.04 -2.27 -0.05 0.00 -1.05 0.00 0.00 37.83 34.50 2wqt s LYS 60 CO 0.01 0.46 0.13 0.08 1.55 0.00 0.00 175.35 177.58 2wqt s VAL 61 N -0.33 5.31 0.41 4.02 1.01 0.32 -1.23 120.40 129.91 2wqt s VAL 61 Ca 0.02 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.21 2wqt s VAL 61 Cb -0.13 -3.44 -0.06 0.00 0.00 0.00 0.00 36.38 32.76 2wqt s VAL 61 CO 0.02 0.41 0.03 -0.83 0.00 0.00 0.00 175.10 174.73 2wqt s GLY 62 N 0.57 2.54 -1.16 4.51 0.00 -0.23 -3.41 107.32 110.14 2wqt s GLY 62 Ca 0.07 -1.78 -0.13 0.00 0.00 0.00 0.00 44.72 42.88 2wqt s GLY 62 CO 0.00 -2.05 0.79 1.04 0.00 0.00 0.00 173.10 172.88 2wqt n LEU 63 N -0.97 -3.47 -0.10 0.66 4.77 -1.26 -1.31 117.00 115.33 2wqt n LEU 63 Ca -0.07 -0.91 0.11 0.00 -0.03 0.00 0.00 56.01 55.10 2wqt n LEU 63 Cb 0.67 -2.61 -0.04 0.00 -2.33 0.00 0.00 43.42 39.11 2wqt n LEU 63 CO 0.45 0.38 0.10 0.35 -1.33 0.00 0.00 177.39 177.33 2wqt n THR 64 N -4.01 0.00 -3.14 -5.08 -2.24 -1.26 -4.18 114.28 94.37 2wqt n THR 64 Ca -0.14 -0.05 -0.40 0.00 -2.27 0.00 0.00 64.05 61.19 2wqt n THR 64 Cb 0.62 0.94 -0.06 0.00 -2.10 0.00 0.00 70.33 69.72 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 -2.89 3.33 0.62 4.78 3.76 -1.26 -1.78 115.29 121.85 2wqt s HIS 65 Ca 0.11 0.84 0.38 0.00 -0.15 0.00 0.00 55.06 56.24 2wqt s HIS 65 Cb 0.17 -2.79 2.16 0.00 1.11 0.00 0.00 32.58 33.22 2wqt s HIS 65 CO 0.78 -0.24 2.32 -1.35 -0.85 0.00 0.00 174.74 175.40 2wqt h PRO 66 N 7.69 0.00 0.89 8.40 0.11 -1.88 -1.47 132.00 145.74 2wqt h PRO 66 Ca -0.29 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 0.00 178.00 179.00 2wqt h LYS 67 N 0.00 -1.15 -0.69 1.05 1.57 -1.98 -2.43 116.57 112.95 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 32.55 2wqt h LYS 67 CO 0.00 -0.77 0.46 0.28 -0.57 0.00 0.00 179.45 178.85 2wqt h VAL 68 N -1.19 0.91 -0.06 0.50 2.07 -1.77 -1.75 116.25 114.96 2wqt h VAL 68 Ca -0.12 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.21 2wqt h VAL 68 Cb 0.91 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2wqt h VAL 68 CO 0.20 0.10 0.04 1.56 0.02 0.00 0.00 177.57 179.49 2wqt h GLN 69 N 0.54 0.08 0.00 1.57 4.20 -1.28 -2.95 115.11 117.27 2wqt h GLN 69 Ca 0.32 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 59.02 2wqt h GLN 69 Cb 0.52 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.28 2wqt h GLN 69 CO -0.10 0.07 -0.00 1.96 -0.67 0.00 0.00 178.83 180.09 2wqt h GLN 70 N 0.06 -0.00 0.00 1.46 1.08 -0.93 -0.65 115.11 116.14 2wqt h GLN 70 Ca 0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 2wqt h GLN 70 Cb 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 2wqt h GLN 70 CO -0.00 0.20 0.02 0.94 -0.95 0.00 0.00 178.83 179.04 2wqt n GLN 71 N -4.99 0.00 0.00 1.46 7.27 -0.70 -1.31 117.38 119.10 2wqt n GLN 71 Ca -0.08 0.14 0.00 0.00 0.07 0.00 0.00 57.00 57.14 2wqt n GLN 71 Cb 0.12 -1.52 0.00 0.00 2.41 0.00 0.00 30.24 31.25 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 -1.10 0.69 0.00 1.69 4.32 -1.02 -5.04 117.00 116.53 2wqt n LEU 72 Ca 0.00 -0.69 0.00 0.00 -0.02 0.00 0.00 56.01 55.30 2wqt n LEU 72 Cb 0.02 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.82 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 -0.10 0.72 3.31 -0.72 0.00 -0.43 -4.23 105.19 103.74 2wqt n GLY 73 Ca 0.00 -0.28 -0.16 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 0.72 0.00 1.61 -7.23 -0.30 -5.01 120.40 108.19 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 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.49 2wqt s VAL 74 CO 0.00 -0.19 0.90 -0.90 -0.31 0.00 0.00 175.10 174.60 2wqt n ASP 75 N -0.41 1.70 -4.71 4.85 5.68 -1.26 -3.65 116.55 118.75 2wqt n ASP 75 Ca -0.03 -1.81 -0.29 0.00 -0.50 0.00 0.00 54.79 52.16 2wqt n ASP 75 Cb 0.65 0.00 -0.07 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 -0.81 2.62 0.00 0.11 -1.52 -1.26 -5.13 119.66 113.67 2wqt s GLN 76 Ca 0.00 -0.87 0.00 0.00 -1.95 0.00 0.00 55.36 52.54 2wqt s GLN 76 Cb 0.00 -2.55 0.00 0.00 -0.22 0.00 0.00 33.01 30.24 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 0.30 2.36 -3.85 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 63.25 2wqt n PRO 77 Cb 0.53 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.88 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 -0.04 0.04 3.54 3.68 -0.43 -4.97 116.67 117.50 2wqt s ASP 78 Ca 0.00 -0.02 0.03 0.00 2.13 0.00 0.00 52.55 54.70 2wqt s ASP 78 Cb 0.00 0.25 -0.02 0.00 -1.45 0.00 0.00 42.92 41.70 2wqt s ASP 78 CO 0.00 -0.26 -0.10 0.72 0.13 0.00 0.00 175.17 175.66 2wqt s PHE 79 N -0.87 0.90 0.26 -5.34 -0.71 -1.26 -1.07 117.98 109.90 2wqt s PHE 79 Ca -0.10 -0.41 0.03 0.00 -1.04 0.00 0.00 56.93 55.42 2wqt s PHE 79 Cb -0.05 -0.53 -0.05 0.00 -1.21 0.00 0.00 43.02 41.17 2wqt s PHE 79 CO 0.01 -0.01 0.02 0.20 -1.34 0.00 0.00 175.22 174.10 2wqt s GLY 80 N -1.33 1.70 -0.13 1.99 0.00 -0.37 -4.37 107.32 104.81 2wqt s GLY 80 Ca -0.04 -1.85 -0.04 0.00 0.00 0.00 0.00 44.72 42.79 2wqt s GLY 80 CO 0.01 -1.69 0.02 -1.59 0.00 0.00 0.00 173.10 169.85 2wqt s THR 81 N -3.44 4.44 -0.13 0.90 2.01 -1.26 -0.88 115.64 117.29 2wqt s THR 81 Ca 0.32 -0.18 -0.04 0.00 0.31 0.00 0.00 61.69 62.10 2wqt s THR 81 Cb 0.07 -2.93 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 2wqt s THR 81 CO 0.11 0.54 0.03 -0.76 -0.69 0.00 0.00 174.62 173.85 2wqt s LEU 82 N -0.27 3.70 0.10 4.42 1.43 -0.33 -4.91 118.68 122.83 2wqt s LEU 82 Ca 0.07 0.13 0.07 0.00 -1.03 0.00 0.00 54.13 53.36 2wqt s LEU 82 Cb -0.12 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 2wqt s LEU 82 CO 0.02 0.29 -0.08 -0.36 0.23 0.00 0.00 176.35 176.45 2wqt s PHE 83 N -0.35 2.79 0.28 0.29 0.08 -1.26 -0.90 117.98 118.91 2wqt s PHE 83 Ca 0.08 -0.13 0.03 0.00 0.12 0.00 0.00 56.93 57.03 2wqt s PHE 83 Cb -0.12 -1.45 0.66 0.00 -0.57 0.00 0.00 43.02 41.54 2wqt s PHE 83 CO 0.02 0.44 1.74 0.00 -0.10 0.00 0.00 175.22 177.32 2wqt h ALA 84 N 3.58 1.45 0.00 5.36 0.00 -1.39 0.87 119.26 129.13 2wqt h ALA 84 Ca -0.49 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2wqt h ALA 84 Cb 1.17 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2wqt h ALA 84 CO 0.54 -0.17 0.00 -0.40 0.00 0.00 0.00 179.25 179.22 2wqt n ASP 85 N -4.90 0.00 0.03 0.00 5.75 -1.26 -1.90 116.55 114.27 2wqt n ASP 85 Ca 0.21 0.31 0.13 0.00 -0.01 0.00 0.00 54.79 55.43 2wqt n ASP 85 Cb 0.55 -0.41 0.51 0.00 -1.03 0.00 0.00 41.12 40.74 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 -1.41 0.08 -3.11 0.11 2.81 0.30 -4.84 117.12 111.06 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 0.15 -1.58 -0.06 0.00 -0.71 0.00 0.00 33.22 31.01 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 2.64 3.35 0.65 0.00 2.02 0.84 -4.99 117.35 121.86 2wqt s TYR 88 Ca 0.25 0.26 -0.11 0.00 -0.37 0.00 0.00 57.07 57.10 2wqt s TYR 88 Cb -0.15 -1.78 -0.02 0.00 -0.40 0.00 0.00 41.96 39.62 2wqt s TYR 88 CO 0.12 0.58 1.05 0.20 -1.57 0.00 0.00 175.55 175.93 2wqt s GLY 89 N -1.64 1.65 0.26 0.71 0.00 -1.26 -1.90 107.32 105.14 2wqt s GLY 89 Ca 0.22 -0.19 -0.30 0.00 0.00 0.00 0.00 44.72 44.45 2wqt s GLY 89 CO 0.13 0.11 1.32 1.34 0.00 0.00 0.00 173.10 176.01 2wqt n ASP 90 N -2.83 2.51 -2.63 1.64 4.64 -0.44 -2.75 116.55 116.69 2wqt n ASP 90 Ca 0.06 1.16 -0.20 0.00 -1.38 0.00 0.00 54.79 54.43 2wqt n ASP 90 Cb 0.55 -1.41 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 1.74 -5.62 -4.83 1.67 4.05 0.29 -4.97 115.26 107.58 2wqt n ASN 91 Ca 0.10 -0.22 -0.22 0.00 0.45 0.00 0.00 54.58 54.69 2wqt n ASN 91 Cb 0.32 -4.48 0.08 0.00 1.23 0.00 0.00 39.78 36.92 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 -5.48 2.05 -0.21 1.20 2.12 -1.11 -4.88 118.70 112.39 2wqt s GLU 92 Ca 0.23 -1.18 -0.07 0.00 0.36 0.00 0.00 54.97 54.31 2wqt s GLU 92 Cb -0.10 -2.46 -0.03 0.00 0.26 0.00 0.00 34.13 31.79 2wqt s GLU 92 CO 0.29 -1.10 0.06 0.42 -0.54 0.00 0.00 175.26 174.38 2wqt s ILE 93 N -2.91 4.49 -0.21 -3.70 1.01 -1.26 -2.34 121.20 116.27 2wqt s ILE 93 Ca 0.63 -0.13 -0.09 0.00 0.00 0.00 0.00 60.65 61.06 2wqt s ILE 93 Cb -0.07 -3.05 -0.05 0.00 0.01 0.00 0.00 42.46 39.30 2wqt s ILE 93 CO 0.41 0.40 0.12 -0.63 0.00 0.00 0.00 174.94 175.25 2wqt s ILE 94 N 0.97 5.24 0.16 2.92 1.01 0.74 -4.94 121.20 127.29 2wqt s ILE 94 Ca 0.04 0.13 -0.31 0.00 0.00 0.00 0.00 60.65 60.50 2wqt s ILE 94 Cb -0.14 -3.40 -0.11 0.00 0.01 0.00 0.00 42.46 38.83 2wqt s ILE 94 CO 0.03 0.42 1.71 -2.84 0.00 0.00 0.00 174.94 174.26 2wqt s PRO 95 N 0.53 4.16 0.39 2.79 0.02 -1.26 -1.21 135.00 140.42 2wqt s PRO 95 Ca 0.07 2.52 0.08 0.00 0.02 0.00 0.00 61.00 63.68 2wqt s PRO 95 Cb -0.12 -3.31 0.83 0.00 0.02 0.00 0.00 34.50 31.92 2wqt s PRO 95 CO -0.00 -0.75 2.00 0.35 -0.33 0.00 0.00 177.00 178.27 2wqt h PHE 96 N 7.52 0.61 0.00 6.54 3.57 -1.90 -2.08 116.94 131.21 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 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.74 2wqt h PHE 96 CO 0.70 0.34 0.00 -1.13 -2.23 0.00 0.00 178.31 176.00 2wqt n SER 97 N -4.47 0.50 -0.17 0.41 3.41 -1.26 -3.84 113.62 108.21 2wqt n SER 97 Ca 0.08 0.59 -0.04 0.00 -0.26 0.00 0.00 58.87 59.23 2wqt n SER 97 Cb 0.19 -0.71 0.05 0.00 -0.26 0.00 0.00 64.21 63.48 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 0.48 -5.17 4.33 9.65 -1.75 -3.42 114.38 118.50 2wqt h ARG 98 Ca 0.00 -0.03 -0.65 0.00 -1.10 0.00 0.00 59.98 58.20 2wqt h ARG 98 Cb 0.47 -0.11 -0.27 0.00 -1.39 0.00 0.00 29.97 28.68 2wqt h ARG 98 CO 0.00 0.32 -0.74 0.08 2.80 0.00 0.00 179.97 182.43 2wqt s VAL 99 N -6.13 3.27 -0.12 0.20 1.01 -1.25 -5.06 120.40 112.32 2wqt s VAL 99 Ca -0.13 -0.56 -0.29 0.00 0.00 0.00 0.00 61.98 61.00 2wqt s VAL 99 Cb 0.14 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 2wqt s VAL 99 CO 0.74 0.48 1.10 -0.22 0.00 0.00 0.00 175.10 177.19 2wqt s LEU 100 N 0.87 4.22 -1.01 3.92 2.96 -1.26 -3.93 118.68 124.45 2wqt s LEU 100 Ca -0.02 1.60 -0.10 0.00 -0.22 0.00 0.00 54.13 55.39 2wqt s LEU 100 Cb -0.15 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.96 2wqt s LEU 100 CO 0.01 -0.57 0.81 0.00 -1.32 0.00 0.00 176.35 175.28 2wqt n GLN 101 N 5.51 -1.61 -2.76 1.98 6.02 -1.26 -1.26 117.38 123.99 2wqt n GLN 101 Ca 0.11 0.82 -0.37 0.00 -0.01 0.00 0.00 57.00 57.54 2wqt n GLN 101 Cb 0.47 -4.90 -0.06 0.00 1.02 0.00 0.00 30.24 26.77 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 -4.78 4.60 0.02 -1.09 0.04 -1.25 -4.03 135.00 128.50 2wqt s PRO 102 Ca 0.35 1.37 0.01 0.00 0.04 0.00 0.00 61.00 62.77 2wqt s PRO 102 Cb -0.09 -2.85 -0.01 0.00 0.04 0.00 0.00 34.50 31.59 2wqt s PRO 102 CO 0.80 0.29 -0.05 1.03 0.04 0.00 0.00 177.00 179.10 2wqt s ARG 103 N -1.96 0.41 0.07 4.56 3.00 -0.31 -1.87 118.95 122.85 2wqt s ARG 103 Ca 0.49 -0.43 0.05 0.00 0.00 0.00 0.00 55.73 55.84 2wqt s ARG 103 Cb -0.20 -0.26 -0.04 0.00 0.00 0.00 0.00 34.95 34.45 2wqt s ARG 103 CO 0.25 0.06 -0.06 0.96 0.00 0.00 0.00 175.30 176.51 2wqt s ILE 104 N -0.74 3.64 0.04 1.52 -5.25 -0.66 0.35 121.20 120.11 2wqt s ILE 104 Ca -0.05 -1.03 0.00 0.00 -0.99 0.00 0.00 60.65 58.58 2wqt s ILE 104 Cb -0.06 -2.68 -0.03 0.00 2.95 0.00 0.00 42.46 42.65 2wqt s ILE 104 CO -0.00 0.20 -0.05 -1.83 -1.79 0.00 0.00 174.94 171.48 2wqt s GLU 105 N -1.99 0.50 0.00 0.37 -1.05 -0.48 -1.58 118.70 114.47 2wqt s GLU 105 Ca 0.21 -0.88 -0.16 0.00 -0.15 0.00 0.00 54.97 53.99 2wqt s GLU 105 Cb -0.11 0.00 -0.06 0.00 -0.44 0.00 0.00 34.13 33.52 2wqt s GLU 105 CO 0.13 -0.04 0.44 0.00 0.95 0.00 0.00 175.26 176.75 2wqt s ALA 106 N -2.30 3.66 0.07 -0.84 0.00 -1.26 -0.45 121.76 120.64 2wqt s ALA 106 Ca -0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 51.96 51.70 2wqt s ALA 106 Cb -0.04 -2.45 -0.03 0.00 0.00 0.00 0.00 23.12 20.60 2wqt s ALA 106 CO -0.03 0.42 0.05 -1.21 0.00 0.00 0.00 175.76 174.99 2wqt s GLU 107 N -0.93 0.73 -0.22 0.00 2.02 0.64 -0.90 118.70 120.04 2wqt s GLU 107 Ca 0.25 -1.18 -0.12 0.00 0.02 0.00 0.00 54.97 53.94 2wqt s GLU 107 Cb -0.17 0.26 -0.05 0.00 0.10 0.00 0.00 34.13 34.27 2wqt s GLU 107 CO 0.14 -0.18 0.23 0.42 0.02 0.00 0.00 175.26 175.89 2wqt s ILE 108 N -3.92 5.32 -0.07 -1.63 1.01 -1.26 -0.88 121.20 119.77 2wqt s ILE 108 Ca 0.09 0.35 -0.04 0.00 0.00 0.00 0.00 60.65 61.04 2wqt s ILE 108 Cb 0.07 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 2wqt s ILE 108 CO -0.08 0.34 0.11 0.00 0.00 0.00 0.00 174.94 175.31 2wqt s ALA 109 N 0.95 3.72 0.04 9.38 0.00 0.35 -1.81 121.76 134.38 2wqt s ALA 109 Ca 0.11 -0.74 0.09 0.00 0.00 0.00 0.00 51.96 51.42 2wqt s ALA 109 Cb -0.13 -1.78 -0.03 0.00 0.00 0.00 0.00 23.12 21.18 2wqt s ALA 109 CO 0.04 0.65 -0.25 -0.51 0.00 0.00 0.00 175.76 175.69 2wqt s LEU 110 N -1.28 2.24 -0.03 0.00 1.43 -0.07 -1.22 118.68 119.74 2wqt s LEU 110 Ca 0.18 -0.55 0.06 0.00 -1.03 0.00 0.00 54.13 52.80 2wqt s LEU 110 Cb -0.12 -1.33 -0.02 0.00 0.03 0.00 0.00 46.19 44.75 2wqt s LEU 110 CO 0.08 0.27 -0.21 -0.69 0.23 0.00 0.00 176.35 176.02 2wqt s VAL 111 N -0.80 2.46 -0.11 -1.59 1.01 -0.36 -0.54 120.40 120.47 2wqt s VAL 111 Ca 0.12 -0.95 -0.06 0.00 0.00 0.00 0.00 61.98 61.09 2wqt s VAL 111 Cb -0.10 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 2wqt s VAL 111 CO 0.02 0.58 0.13 -0.76 0.00 0.00 0.00 175.10 175.08 2wqt s LEU 112 N -0.63 4.33 0.36 3.92 1.43 -1.01 0.51 118.68 127.58 2wqt s LEU 112 Ca 0.10 0.43 0.17 0.00 -1.03 0.00 0.00 54.13 53.80 2wqt s LEU 112 Cb -0.10 -2.11 0.61 0.00 0.03 0.00 0.00 46.19 44.62 2wqt s LEU 112 CO -0.00 0.39 1.70 0.78 0.23 0.00 0.00 176.35 179.45 2wqt h ASN 113 N 4.87 0.00 -5.14 2.29 4.21 -1.12 -0.98 115.58 119.71 2wqt h ASN 113 Ca -0.54 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 56.93 2wqt h ASN 113 Cb 1.22 0.00 -0.10 0.00 -1.12 0.00 0.00 38.32 38.32 2wqt h ASN 113 CO 0.59 0.42 -0.06 0.00 -1.29 0.00 0.00 177.43 177.09 2wqt s ARG 114 N -3.59 1.36 0.56 0.81 3.03 -1.26 -4.68 118.95 115.19 2wqt s ARG 114 Ca -0.00 -0.99 -0.20 0.00 2.03 0.00 0.00 55.73 56.57 2wqt s ARG 114 Cb 0.11 0.49 -0.04 0.00 -1.03 0.00 0.00 34.95 34.47 2wqt s ARG 114 CO 0.70 -0.56 1.24 -0.51 -1.13 0.00 0.00 175.30 175.04 2wqt s ASP 115 N -2.91 5.34 -0.66 -2.89 1.01 -1.26 -3.44 116.67 111.86 2wqt s ASP 115 Ca 0.13 2.48 0.05 0.00 0.71 0.00 0.00 52.55 55.91 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 -0.00 -1.50 0.48 0.18 0.21 0.00 0.00 175.17 174.54 2wqt n LEU 116 N -1.29 2.47 0.18 1.23 4.77 -0.42 -4.91 117.00 119.03 2wqt n LEU 116 Ca 0.12 -5.08 0.06 0.00 -0.03 0.00 0.00 56.01 51.08 2wqt n LEU 116 Cb 0.48 -0.53 0.17 0.00 -2.33 0.00 0.00 43.42 41.21 2wqt n LEU 116 CO 0.47 1.79 0.63 1.55 -1.33 0.00 0.00 177.39 180.49 2wqt h PRO 117 N 5.37 0.00 -6.26 3.23 0.13 -1.94 -3.37 132.00 129.15 2wqt h PRO 117 Ca 0.17 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.74 2wqt h PRO 117 Cb 0.77 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.88 2wqt h PRO 117 CO 0.66 0.33 0.76 0.00 -0.23 0.00 0.00 178.00 179.53 2wqt s ALA 118 N -3.19 3.54 -1.65 -0.56 0.00 -1.26 -4.83 121.76 113.81 2wqt s ALA 118 Ca 0.04 0.57 0.27 0.00 0.00 0.00 0.00 51.96 52.84 2wqt s ALA 118 Cb 0.08 -3.55 1.45 0.00 0.00 0.00 0.00 23.12 21.10 2wqt s ALA 118 CO 0.70 -0.88 1.93 0.25 0.00 0.00 0.00 175.76 177.76 2wqt n THR 119 N 4.83 0.09 -1.80 0.00 -2.24 -1.26 -3.02 114.28 110.89 2wqt n THR 119 Ca 0.12 0.02 0.05 0.00 -2.27 0.00 0.00 64.05 61.97 2wqt n THR 119 Cb 0.46 -0.59 0.17 0.00 -2.10 0.00 0.00 70.33 68.26 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 -1.17 1.66 -4.69 3.42 3.85 -1.26 -4.78 116.55 113.57 2wqt n ASP 120 Ca 0.16 -3.52 -0.43 0.00 -0.71 0.00 0.00 54.79 50.29 2wqt n ASP 120 Cb 0.17 -0.48 -0.01 0.00 -1.35 0.00 0.00 41.12 39.45 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 -0.79 1.82 -3.99 2.12 3.06 -1.17 -4.99 119.36 115.43 2wqt n ILE 121 Ca 0.17 -0.45 -0.23 0.00 -2.50 0.00 0.00 62.75 59.73 2wqt n ILE 121 Cb 0.79 -1.53 -0.03 0.00 0.54 0.00 0.00 39.64 39.41 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 -0.91 5.13 0.27 9.51 -4.23 -1.26 -4.99 115.64 119.16 2wqt s THR 122 Ca 0.58 -0.93 -0.03 0.00 -1.18 0.00 0.00 61.69 60.13 2wqt s THR 122 Cb -0.59 -3.72 0.32 0.00 1.34 0.00 0.00 72.50 69.86 2wqt s THR 122 CO 0.60 -0.22 1.62 0.15 -0.54 0.00 0.00 174.62 176.23 2wqt h PHE 123 N 1.68 0.00 -0.19 3.99 3.57 -1.94 -0.59 116.94 123.46 2wqt h PHE 123 Ca -0.50 0.06 -0.11 0.00 3.53 0.00 0.00 57.97 60.95 2wqt h PHE 123 Cb 1.21 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 40.08 2wqt h PHE 123 CO 0.50 -0.29 -0.36 0.38 -2.23 0.00 0.00 178.31 176.32 2wqt h ASP 124 N 0.10 0.43 -0.05 0.41 2.03 -2.00 -2.83 116.42 114.52 2wqt h ASP 124 Ca 0.48 -0.17 -0.12 0.00 -0.73 0.00 0.00 57.03 56.49 2wqt h ASP 124 Cb 0.91 -0.12 -0.01 0.00 -0.83 0.00 0.00 39.33 39.28 2wqt h ASP 124 CO -0.74 0.76 -0.37 -0.33 -1.03 0.00 0.00 179.24 177.53 2wqt h GLU 125 N 0.35 0.55 -0.49 4.15 5.08 -1.54 -2.74 114.58 119.94 2wqt h GLU 125 Ca 0.04 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 58.08 2wqt h GLU 125 Cb 0.80 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 2wqt h GLU 125 CO 0.06 0.83 0.06 1.25 -1.00 0.00 0.00 179.01 180.22 2wqt h LEU 126 N 0.46 0.73 -0.70 1.33 5.85 -1.18 -2.90 115.31 118.91 2wqt h LEU 126 Ca 0.05 -0.15 0.12 0.00 0.84 0.00 0.00 57.88 58.74 2wqt h LEU 126 Cb 0.85 -0.19 -0.09 0.00 0.37 0.00 0.00 40.66 41.61 2wqt h LEU 126 CO 0.07 0.76 0.27 1.88 -0.34 0.00 0.00 178.44 181.09 2wqt h TYR 127 N 0.73 0.47 0.00 1.25 0.05 -1.24 0.41 116.97 118.64 2wqt h TYR 127 Ca 0.15 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.97 2wqt h TYR 127 Cb 0.36 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.00 2wqt h TYR 127 CO 0.02 0.08 0.00 -1.71 -1.05 0.00 0.00 178.16 175.50 2wqt n ASN 128 N -5.00 0.27 -0.59 3.88 2.85 -1.10 -2.74 115.26 112.83 2wqt n ASN 128 Ca 0.12 0.57 0.12 0.00 -0.11 0.00 0.00 54.58 55.27 2wqt n ASN 128 Cb 0.35 -0.63 0.08 0.00 1.24 0.00 0.00 39.78 40.83 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 -1.61 3.19 -2.66 5.20 0.00 0.12 -4.88 120.51 119.87 2wqt n ALA 129 Ca 0.03 -0.63 -0.41 0.00 0.00 0.00 0.00 53.44 52.43 2wqt n ALA 129 Cb 0.18 -0.84 -0.05 0.00 0.00 0.00 0.00 19.45 18.74 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 -2.34 4.91 -0.20 0.00 1.01 -1.11 -0.56 121.20 122.91 2wqt s ILE 130 Ca 0.22 1.48 -0.22 0.00 0.00 0.00 0.00 60.65 62.13 2wqt s ILE 130 Cb 0.19 -4.07 -0.20 0.00 0.01 0.00 0.00 42.46 38.39 2wqt s ILE 130 CO 0.49 0.02 0.28 -0.08 0.00 0.00 0.00 174.94 175.64 2wqt h GLU 131 N 7.50 0.00 -4.29 2.79 4.81 -0.21 -3.44 114.58 121.74 2wqt h GLU 131 Ca -0.28 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.68 2wqt h GLU 131 Cb 1.12 0.00 -0.25 0.00 0.63 0.00 0.00 28.75 30.26 2wqt h GLU 131 CO 0.83 0.99 -0.73 -1.58 -0.73 0.00 0.00 179.01 177.78 2wqt s TRP 132 N -2.34 0.46 -0.11 0.92 0.52 -1.10 -4.59 118.94 112.69 2wqt s TRP 132 Ca -0.28 -0.30 0.03 0.00 0.02 0.00 0.00 56.10 55.58 2wqt s TRP 132 Cb 0.05 -0.28 0.00 0.00 -1.15 0.00 0.00 33.47 32.08 2wqt s TRP 132 CO 0.60 -0.06 -0.23 0.54 0.02 0.00 0.00 176.95 177.82 2wqt s VAL 133 N -0.78 2.14 0.06 4.03 0.11 0.27 -1.22 120.40 125.01 2wqt s VAL 133 Ca -0.05 -0.99 0.01 0.00 -2.93 0.00 0.00 61.98 58.02 2wqt s VAL 133 Cb -0.06 -1.82 -0.03 0.00 -1.53 0.00 0.00 36.38 32.93 2wqt s VAL 133 CO -0.00 0.56 -0.06 -1.48 -3.33 0.00 0.00 175.10 170.79 2wqt s LEU 134 N 0.41 2.39 0.30 2.54 2.34 -0.36 -1.81 118.68 124.50 2wqt s LEU 134 Ca -0.17 -0.80 -0.27 0.00 0.06 0.00 0.00 54.13 52.95 2wqt s LEU 134 Cb -0.17 -0.03 -0.10 0.00 -0.56 0.00 0.00 46.19 45.33 2wqt s LEU 134 CO 0.07 -0.39 0.97 -2.16 -1.06 0.00 0.00 176.35 173.78 2wqt s PRO 135 N -2.86 4.63 0.03 1.48 0.04 -1.26 -0.50 135.00 136.56 2wqt s PRO 135 Ca 0.01 1.43 -0.01 0.00 0.04 0.00 0.00 61.00 62.47 2wqt s PRO 135 Cb -0.01 -2.95 -0.02 0.00 0.04 0.00 0.00 34.50 31.56 2wqt s PRO 135 CO -0.04 0.30 -0.00 0.00 0.04 0.00 0.00 177.00 177.30 2wqt s ALA 136 N -1.46 0.18 -0.09 8.56 0.00 -0.06 -1.03 121.76 127.87 2wqt s ALA 136 Ca 0.48 -0.74 -0.00 0.00 0.00 0.00 0.00 51.96 51.70 2wqt s ALA 136 Cb -0.22 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 2wqt s ALA 136 CO 0.28 -0.24 -0.07 -0.51 0.00 0.00 0.00 175.76 175.22 2wqt s LEU 137 N -1.97 3.16 -0.22 0.00 1.43 0.03 -0.26 118.68 120.86 2wqt s LEU 137 Ca -0.08 -0.07 -0.04 0.00 -1.03 0.00 0.00 54.13 52.92 2wqt s LEU 137 Cb -0.04 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 2wqt s LEU 137 CO -0.04 0.30 -0.04 -0.70 0.23 0.00 0.00 176.35 176.11 2wqt s GLU 138 N -0.46 3.40 -0.69 1.70 2.12 0.40 -0.73 118.70 124.45 2wqt s GLU 138 Ca 0.07 -0.61 -0.20 0.00 0.36 0.00 0.00 54.97 54.59 2wqt s GLU 138 Cb -0.12 -3.02 0.11 0.00 0.26 0.00 0.00 34.13 31.35 2wqt s GLU 138 CO 0.02 -0.18 0.87 0.08 -0.54 0.00 0.00 175.26 175.51 2wqt s VAL 139 N 1.45 4.70 0.47 3.70 1.01 -0.06 -1.38 120.40 130.28 2wqt s VAL 139 Ca 0.05 -1.00 -0.16 0.00 0.00 0.00 0.00 61.98 60.87 2wqt s VAL 139 Cb -0.14 -4.61 -0.08 0.00 0.00 0.00 0.00 36.38 31.55 2wqt s VAL 139 CO -0.03 -1.30 0.93 0.68 0.00 0.00 0.00 175.10 175.38 2wqt s VAL 140 N 2.96 4.56 0.06 2.92 -7.23 0.15 -1.65 120.40 122.18 2wqt s VAL 140 Ca 0.19 1.15 -0.03 0.00 -1.81 0.00 0.00 61.98 61.48 2wqt s VAL 140 Cb -0.17 -3.70 -0.03 0.00 0.56 0.00 0.00 36.38 33.04 2wqt s VAL 140 CO 0.03 -0.57 0.03 -0.83 -0.31 0.00 0.00 175.10 173.46 2wqt s GLY 141 N -2.89 0.36 -0.08 2.32 0.00 -0.36 -1.16 107.32 105.51 2wqt s GLY 141 Ca 0.58 -1.02 0.03 0.00 0.00 0.00 0.00 44.72 44.30 2wqt s GLY 141 CO 0.27 -1.15 -0.16 -0.45 0.00 0.00 0.00 173.10 171.61 2wqt s SER 142 N -2.86 2.24 0.00 1.64 0.15 -0.39 -4.23 113.70 110.24 2wqt s SER 142 Ca 0.06 -0.39 0.29 0.00 0.70 0.00 0.00 55.95 56.61 2wqt s SER 142 Cb 0.07 -1.03 1.32 0.00 -1.71 0.00 0.00 66.02 64.67 2wqt s SER 142 CO -0.10 0.07 1.90 0.54 1.20 0.00 0.00 173.24 176.85 2wqt n ARG 143 N 3.78 1.34 -4.20 5.44 3.00 -1.26 -4.52 116.66 120.24 2wqt n ARG 143 Ca -0.21 -0.58 -0.34 0.00 -0.01 0.00 0.00 57.85 56.70 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 -2.06 4.43 -0.13 0.55 1.01 -1.26 -0.71 121.20 123.03 2wqt s ILE 144 Ca 0.40 -0.17 -0.31 0.00 0.00 0.00 0.00 60.65 60.57 2wqt s ILE 144 Cb 0.21 -2.95 -0.15 0.00 0.01 0.00 0.00 42.46 39.58 2wqt s ILE 144 CO 0.36 0.50 0.92 -1.14 0.00 0.00 0.00 174.94 175.59 2wqt n ARG 145 N 3.23 0.00 -2.83 2.79 0.63 0.54 -2.86 116.66 118.16 2wqt n ARG 145 Ca -0.17 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.60 2wqt n ARG 145 Cb 0.53 -1.10 -0.00 0.00 0.45 0.00 0.00 32.46 32.33 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 1.73 -3.61 -1.93 6.15 8.00 -1.26 -0.97 116.55 124.65 2wqt n ASP 146 Ca 0.17 -0.02 -0.12 0.00 0.71 0.00 0.00 54.79 55.53 2wqt n ASP 146 Cb 0.02 -3.05 -0.03 0.00 -0.02 0.00 0.00 41.12 38.05 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 -0.94 -2.47 1.24 7.02 -1.13 -4.86 117.44 112.75 2wqt n TRP 147 Ca -0.08 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.01 2wqt n TRP 147 Cb 0.57 -2.62 -0.02 0.00 -2.42 0.00 0.00 31.31 26.82 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 -2.04 6.37 -0.07 -0.99 0.15 -0.15 -4.93 113.70 112.05 2wqt s SER 148 Ca 0.00 -1.88 0.04 0.00 0.70 0.00 0.00 55.95 54.81 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 -1.64 -0.20 -0.51 1.20 0.00 0.00 173.24 172.08 2wqt s ILE 149 N 5.78 1.72 0.47 6.45 1.10 -1.26 -4.79 121.20 130.68 2wqt s ILE 149 Ca 0.54 -0.85 0.07 0.00 -0.51 0.00 0.00 60.65 59.90 2wqt s ILE 149 Cb 0.01 -1.49 -0.00 0.00 0.15 0.00 0.00 42.46 41.13 2wqt s ILE 149 CO 0.02 0.49 0.33 -1.10 -2.11 0.00 0.00 174.94 172.57 2wqt s GLN 150 N 0.19 2.33 0.18 3.50 -1.52 -1.26 -4.98 119.66 118.09 2wqt s GLN 150 Ca -0.10 -1.84 -0.21 0.00 -1.95 0.00 0.00 55.36 51.26 2wqt s GLN 150 Cb -0.15 -2.14 0.11 0.00 -0.22 0.00 0.00 33.01 30.61 2wqt s GLN 150 CO 0.05 -0.36 1.59 0.35 -0.25 0.00 0.00 175.29 176.67 2wqt h PHE 151 N 1.01 -0.88 -0.42 0.91 3.57 -1.89 -0.57 116.94 118.68 2wqt h PHE 151 Ca -0.40 0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.17 2wqt h PHE 151 Cb 1.28 0.46 -0.02 0.00 2.79 0.00 0.00 35.95 40.46 2wqt h PHE 151 CO 0.76 -0.37 0.24 0.28 -2.23 0.00 0.00 178.31 176.99 2wqt h VAL 152 N -0.18 1.12 -0.07 1.41 2.07 -1.92 -2.14 116.25 116.54 2wqt h VAL 152 Ca 0.22 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 2wqt h VAL 152 Cb 0.54 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2wqt h VAL 152 CO -0.63 0.13 -0.01 0.44 0.02 0.00 0.00 177.57 177.52 2wqt h ASP 153 N 0.57 0.12 0.04 0.57 3.32 -1.50 -2.86 116.42 116.68 2wqt h ASP 153 Ca 0.15 -0.36 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 2wqt h ASP 153 Cb -0.01 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2wqt h ASP 153 CO -0.03 0.45 -0.02 0.74 -1.72 0.00 0.00 179.24 178.66 2wqt h THR 154 N -0.20 1.02 -0.22 0.35 2.02 -1.18 -2.14 112.91 112.56 2wqt h THR 154 Ca 0.02 -0.17 0.05 0.00 0.77 0.00 0.00 66.41 67.07 2wqt h THR 154 Cb 0.39 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 2wqt h THR 154 CO 0.01 0.04 -0.07 0.58 0.37 0.00 0.00 175.52 176.45 2wqt h VAL 155 N -0.13 0.75 -0.99 3.16 2.07 -1.46 0.24 116.25 119.89 2wqt h VAL 155 Ca -0.01 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.59 2wqt h VAL 155 Cb 0.11 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 30.56 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 1.19 1.45 -0.18 1.67 0.00 -1.49 -1.74 119.26 120.17 2wqt h ALA 156 Ca 0.11 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 2wqt h ALA 156 Cb 0.19 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 2wqt h ALA 156 CO -0.24 0.38 0.13 -3.47 0.00 0.00 0.00 179.25 176.05 2wqt n ASP 157 N -4.52 4.27 -3.71 0.00 4.64 -0.14 -3.75 116.55 113.34 2wqt n ASP 157 Ca 0.16 -2.45 -0.23 0.00 -1.38 0.00 0.00 54.79 50.89 2wqt n ASP 157 Cb 0.23 -0.79 0.05 0.00 -1.04 0.00 0.00 41.12 39.56 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 0.58 -2.98 -3.62 1.67 5.15 -0.66 -1.87 115.26 113.54 2wqt n ASN 158 Ca 0.11 -0.74 -0.27 0.00 -0.60 0.00 0.00 54.58 53.08 2wqt n ASN 158 Cb 0.63 -4.30 0.00 0.00 -0.53 0.00 0.00 39.78 35.59 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 -1.14 -4.03 5.20 0.00 0.66 -1.75 120.51 114.98 2wqt n ALA 159 Ca -0.16 0.12 -0.32 0.00 0.00 0.00 0.00 53.44 53.08 2wqt n ALA 159 Cb 0.62 -3.46 0.00 0.00 0.00 0.00 0.00 19.45 16.61 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 -2.51 -3.85 -4.77 0.00 7.64 -0.78 -4.88 113.62 104.46 2wqt n SER 160 Ca 0.01 -0.88 -0.38 0.00 1.01 0.00 0.00 58.87 58.63 2wqt n SER 160 Cb 0.53 -3.41 -0.02 0.00 -1.01 0.00 0.00 64.21 60.31 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 0.52 0.69 3.26 0.00 0.00 -0.98 -4.17 105.19 104.51 2wqt n GLY 162 Ca 0.06 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 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 0.15 0.17 0.05 1.61 -7.23 -0.66 -4.89 120.40 109.60 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 -2.53 -0.03 0.00 0.56 0.00 0.00 36.38 34.38 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 -3.90 0.45 -0.02 2.82 1.13 -0.15 -0.88 117.35 116.80 2wqt s TYR 164 Ca 0.38 -0.93 0.03 0.00 -1.41 0.00 0.00 57.07 55.15 2wqt s TYR 164 Cb 0.06 -0.33 -0.00 0.00 -1.10 0.00 0.00 41.96 40.59 2wqt s TYR 164 CO 0.15 -0.35 -0.12 0.54 -2.51 0.00 0.00 175.55 173.26 2wqt s VAL 165 N -3.42 0.97 -0.10 -3.49 0.11 0.10 -0.11 120.40 114.45 2wqt s VAL 165 Ca 0.02 -0.49 -0.00 0.00 -2.93 0.00 0.00 61.98 58.58 2wqt s VAL 165 Cb 0.04 -0.82 -0.03 0.00 -1.53 0.00 0.00 36.38 34.04 2wqt s VAL 165 CO -0.08 0.28 -0.08 -0.63 -3.33 0.00 0.00 175.10 171.26 2wqt s ILE 166 N -0.09 3.52 0.00 7.04 1.01 -0.80 -0.79 121.20 131.10 2wqt s ILE 166 Ca 0.01 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.14 2wqt s ILE 166 Cb -0.07 -2.47 0.00 0.00 0.01 0.00 0.00 42.46 39.93 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 2.90 3.68 3.81 6.18 0.00 -0.20 -1.33 105.19 120.23 2wqt n GLY 167 Ca -0.18 -1.69 -0.03 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.06 0.70 -0.02 0.00 -1.10 -4.67 107.32 102.18 2wqt s GLY 168 Ca 0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 44.72 44.53 2wqt s GLY 168 CO 0.00 1.26 1.07 -4.14 0.00 0.00 0.00 173.10 171.30 2wqt s PRO 169 N -2.64 2.78 0.10 2.90 0.02 -1.26 -1.23 135.00 135.67 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 -0.02 -1.97 -0.06 0.00 0.02 0.00 0.00 34.50 32.48 2wqt s PRO 169 CO 0.03 -1.23 1.16 0.00 -0.33 0.00 0.00 177.00 176.63 2wqt s ALA 170 N -2.88 3.37 0.10 -1.55 0.00 -1.26 -4.65 121.76 114.89 2wqt s ALA 170 Ca 0.60 0.82 0.10 0.00 0.00 0.00 0.00 51.96 53.49 2wqt s ALA 170 Cb -0.16 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 2wqt s ALA 170 CO 0.52 -0.36 -0.26 -0.65 0.00 0.00 0.00 175.76 175.01 2wqt s GLN 171 N 0.59 1.55 0.31 0.00 -1.52 -0.75 -4.98 119.66 114.87 2wqt s GLN 171 Ca 0.55 -1.27 -0.16 0.00 -1.95 0.00 0.00 55.36 52.53 2wqt s GLN 171 Cb -0.29 -1.94 -0.09 0.00 -0.22 0.00 0.00 33.01 30.47 2wqt s GLN 171 CO 0.31 0.47 0.75 1.03 -0.25 0.00 0.00 175.29 177.61 2wqt s ARG 172 N -1.82 4.07 0.38 2.91 1.81 -1.26 -0.57 118.95 124.48 2wqt s ARG 172 Ca 0.14 0.75 0.14 0.00 -1.72 0.00 0.00 55.73 55.04 2wqt s ARG 172 Cb -0.10 -2.49 0.76 0.00 -0.45 0.00 0.00 34.95 32.66 2wqt s ARG 172 CO 0.05 0.18 1.83 -1.00 -0.68 0.00 0.00 175.30 175.69 2wqt h PRO 173 N 2.44 0.00 -6.31 3.54 0.13 -1.85 -3.41 132.00 126.53 2wqt h PRO 173 Ca -0.48 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.06 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 0.65 0.36 1.13 0.00 -0.23 0.00 0.00 178.00 179.91 2wqt n ALA 174 N -2.44 1.14 0.00 -0.56 0.00 -1.26 -1.61 120.51 115.78 2wqt n ALA 174 Ca -0.02 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2wqt n ALA 174 Cb 0.41 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.31 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 4.41 2.59 3.73 0.00 0.00 -1.26 -5.01 105.19 109.64 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 -0.63 -4.98 118.68 119.30 2wqt s LEU 176 Ca 0.00 2.40 -0.23 0.00 -1.03 0.00 0.00 54.13 55.27 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 -0.59 0.94 -0.62 0.23 0.00 0.00 176.35 176.31 2wqt s ASP 177 N 0.60 6.27 0.05 2.29 3.68 -1.26 -4.88 116.67 123.43 2wqt s ASP 177 Ca 0.60 -0.59 0.23 0.00 2.13 0.00 0.00 52.55 54.91 2wqt s ASP 177 Cb -0.37 -2.43 0.00 0.00 -1.45 0.00 0.00 42.92 38.68 2wqt s ASP 177 CO 0.36 -1.29 0.98 0.18 0.13 0.00 0.00 175.17 175.53 2wqt n LEU 178 N 7.52 0.59 -0.08 -1.34 4.77 -1.26 -4.27 117.00 122.94 2wqt n LEU 178 Ca -0.01 -0.02 -0.19 0.00 -0.03 0.00 0.00 56.01 55.76 2wqt n LEU 178 Cb 0.47 -0.08 -0.12 0.00 -2.33 0.00 0.00 43.42 41.35 2wqt n LEU 178 CO 0.63 0.04 -0.22 0.50 -1.33 0.00 0.00 177.39 177.01 2wqt h LYS 179 N 0.00 0.04 -0.95 3.23 3.64 -1.92 -3.40 116.57 117.21 2wqt h LYS 179 Ca 0.00 -0.06 -0.61 0.00 -1.27 0.00 0.00 60.65 58.70 2wqt h LYS 179 Cb 0.75 0.02 -0.30 0.00 -0.41 0.00 0.00 32.23 32.30 2wqt h LYS 179 CO 0.00 1.03 0.65 0.09 -2.27 0.00 0.00 179.45 178.95 2wqt n ASN 180 N -4.41 6.37 -4.49 4.20 4.13 -1.26 -2.40 115.26 117.40 2wqt n ASN 180 Ca -0.24 -3.75 -0.43 0.00 1.68 0.00 0.00 54.58 51.84 2wqt n ASN 180 Cb 0.65 -0.88 -0.04 0.00 -1.54 0.00 0.00 39.78 37.97 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 3.82 3.34 -0.07 0.00 0.00 -1.26 -2.50 121.76 125.09 2wqt s ALA 182 Ca 0.25 1.12 0.04 0.00 0.00 0.00 0.00 51.96 53.37 2wqt s ALA 182 Cb -0.15 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2wqt s ALA 182 CO 0.15 -0.57 -0.18 1.41 0.00 0.00 0.00 175.76 176.56 2wqt s MET 183 N -1.97 2.20 -0.03 0.00 0.00 0.48 -0.84 119.30 119.14 2wqt s MET 183 Ca 0.52 -0.65 0.05 0.00 0.00 0.00 0.00 55.69 55.61 2wqt s MET 183 Cb -0.36 -1.78 -0.01 0.00 0.00 0.00 0.00 34.83 32.69 2wqt s MET 183 CO 0.46 0.17 -0.18 0.15 0.00 0.00 0.00 175.02 175.62 2wqt s LYS 184 N 0.31 1.66 -0.06 4.11 -0.14 -0.87 -2.01 119.74 122.75 2wqt s LYS 184 Ca -0.12 -0.65 0.04 0.00 -1.36 0.00 0.00 55.97 53.88 2wqt s LYS 184 Cb -0.15 -1.52 0.00 0.00 -1.68 0.00 0.00 37.83 34.48 2wqt s LYS 184 CO 0.05 0.33 -0.16 1.41 -0.76 0.00 0.00 175.35 176.22 2wqt s MET 185 N -0.22 1.90 0.04 1.68 1.75 -0.33 -0.57 119.30 123.55 2wqt s MET 185 Ca 0.02 -0.58 0.05 0.00 -1.25 0.00 0.00 55.69 53.93 2wqt s MET 185 Cb -0.09 -1.59 -0.04 0.00 2.84 0.00 0.00 34.83 35.95 2wqt s MET 185 CO 0.01 0.17 -0.07 0.95 -0.65 0.00 0.00 175.02 175.43 2wqt s THR 186 N 0.26 3.61 -0.16 10.11 -4.23 0.39 -1.06 115.64 124.57 2wqt s THR 186 Ca -0.09 -0.95 -0.02 0.00 -1.18 0.00 0.00 61.69 59.46 2wqt s THR 186 Cb -0.14 -2.62 -0.01 0.00 1.34 0.00 0.00 72.50 71.07 2wqt s THR 186 CO 0.03 0.28 -0.09 -0.60 -0.54 0.00 0.00 174.62 173.70 2wqt s ARG 187 N -1.76 3.42 -1.64 3.99 3.52 -0.31 -1.89 118.95 124.27 2wqt s ARG 187 Ca 0.19 -0.65 -0.10 0.00 -0.13 0.00 0.00 55.73 55.05 2wqt s ARG 187 Cb -0.11 -2.79 0.09 0.00 -1.56 0.00 0.00 34.95 30.58 2wqt s ARG 187 CO 0.11 0.08 0.37 0.09 -0.81 0.00 0.00 175.30 175.13 2wqt n ASN 188 N 3.95 -0.73 -0.01 -2.12 3.02 0.02 -1.77 115.26 117.62 2wqt n ASN 188 Ca -0.18 -1.18 -0.00 0.00 -0.03 0.00 0.00 54.58 53.19 2wqt n ASN 188 Cb 0.52 -2.05 -0.00 0.00 -0.61 0.00 0.00 39.78 37.64 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 -3.15 -4.07 6.41 3.02 -1.26 -5.04 115.26 108.41 2wqt n ASN 189 Ca -0.14 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.20 2wqt n ASN 189 Cb 0.60 -0.67 -0.15 0.00 -0.61 0.00 0.00 39.78 38.95 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 1.04 0.19 3.52 -1.05 -0.73 -5.03 118.70 116.19 2wqt s GLU 190 Ca 0.00 -0.42 -0.32 0.00 -0.15 0.00 0.00 54.97 54.07 2wqt s GLU 190 Cb 0.00 -0.99 -0.12 0.00 -0.44 0.00 0.00 34.13 32.58 2wqt s GLU 190 CO 0.00 0.24 1.70 -1.91 0.95 0.00 0.00 175.26 176.24 2wqt n GLU 191 N 2.90 2.63 0.00 -4.83 2.13 -1.26 -1.16 120.64 121.04 2wqt n GLU 191 Ca -0.15 0.95 0.00 0.00 0.66 0.00 0.00 57.16 58.62 2wqt n GLU 191 Cb 0.55 -2.78 0.00 0.00 0.27 0.00 0.00 31.44 29.48 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 3.90 0.00 -3.52 6.31 0.24 -0.22 -4.87 118.33 120.17 2wqt n VAL 192 Ca 0.16 -0.16 -0.17 0.00 -2.04 0.00 0.00 64.34 62.14 2wqt n VAL 192 Cb 0.34 0.68 -0.06 0.00 -1.47 0.00 0.00 33.84 33.33 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 -0.80 -0.61 0.22 -1.34 0.15 -1.17 -4.95 113.70 105.21 2wqt s SER 193 Ca 0.00 0.56 -0.19 0.00 0.70 0.00 0.00 55.95 57.02 2wqt s SER 193 Cb 0.00 0.53 0.03 0.00 -1.71 0.00 0.00 66.02 64.87 2wqt s SER 193 CO 0.00 -0.65 0.59 -0.94 1.20 0.00 0.00 173.24 173.44 2wqt s SER 194 N -1.44 -0.30 0.00 5.45 1.04 -1.26 -1.19 113.70 116.00 2wqt s SER 194 Ca -0.09 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 55.87 2wqt s SER 194 Cb -0.00 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.75 2wqt s SER 194 CO 0.06 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.75 2wqt n GLY 195 N -0.39 -0.59 3.50 7.32 0.00 -0.85 -4.36 105.19 109.82 2wqt n GLY 195 Ca -0.09 -0.66 -0.11 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.68 1.28 0.44 1.61 1.70 -0.98 -0.39 118.95 121.93 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 0.56 1.26 0.00 -0.57 0.00 0.00 34.95 36.20 2wqt s ARG 196 CO 0.00 -0.57 1.76 0.78 -1.08 0.00 0.00 175.30 176.19 2wqt h GLY 197 N 2.00 0.92 2.00 3.88 0.00 -1.43 -1.22 103.07 109.23 2wqt h GLY 197 Ca -0.30 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2wqt h GLY 197 CO 0.35 -0.14 0.00 1.48 0.00 0.00 0.00 176.54 178.23 2wqt h SER 198 N 0.25 0.00 0.99 0.19 4.64 -1.65 -2.44 113.55 115.53 2wqt h SER 198 Ca 0.62 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.94 2wqt h SER 198 Cb 1.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.94 2wqt h SER 198 CO -0.24 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.10 2wqt n GLU 199 N -2.42 0.22 -3.33 4.77 1.02 -0.46 -2.31 120.64 118.13 2wqt n GLU 199 Ca 0.02 0.35 -0.43 0.00 -0.02 0.00 0.00 57.16 57.07 2wqt n GLU 199 Cb 0.24 -1.85 -0.01 0.00 -0.02 0.00 0.00 31.44 29.80 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 2.40 -1.89 0.00 0.00 4.77 -0.73 -1.97 117.00 119.57 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 0.38 -2.41 0.00 0.00 -2.33 0.00 0.00 43.42 39.06 2wqt n LEU 201 CO 0.50 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 2wqt n GLY 202 N -1.26 2.73 3.65 -0.72 0.00 -0.98 -4.76 105.19 103.86 2wqt n GLY 202 Ca -0.06 0.00 -0.01 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 -0.84 -0.29 0.46 1.61 5.65 -0.83 -4.26 115.29 116.78 2wqt s HIS 203 Ca 0.00 0.59 0.22 0.00 0.25 0.00 0.00 55.06 56.12 2wqt s HIS 203 Cb 0.00 0.21 1.21 0.00 -1.18 0.00 0.00 32.58 32.82 2wqt s HIS 203 CO 0.00 -0.14 1.87 -1.35 -0.65 0.00 0.00 174.74 174.47 2wqt h PRO 204 N 5.30 0.26 0.00 2.88 0.11 -1.67 0.11 132.00 138.99 2wqt h PRO 204 Ca -0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2wqt h PRO 204 Cb 1.17 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2wqt h PRO 204 CO 0.21 0.17 0.00 -0.07 -0.21 0.00 0.00 178.00 178.10 2wqt h LEU 205 N 0.27 0.00 -0.48 2.35 3.38 -1.93 -2.46 115.31 116.44 2wqt h LEU 205 Ca 0.45 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.35 2wqt h LEU 205 Cb 1.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 2wqt h LEU 205 CO -0.12 0.00 0.05 0.78 0.09 0.00 0.00 178.44 179.23 2wqt h ASN 206 N 0.00 0.79 -0.64 -0.43 2.35 -1.07 0.74 115.58 117.31 2wqt h ASN 206 Ca 0.00 -0.28 -0.00 0.00 -0.55 0.00 0.00 56.30 55.46 2wqt h ASN 206 Cb 0.56 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.69 2wqt h ASN 206 CO 0.00 0.87 0.38 0.00 -1.65 0.00 0.00 177.43 177.03 2wqt h ALA 207 N 0.95 0.82 -0.79 -0.83 0.00 -1.49 0.18 119.26 118.09 2wqt h ALA 207 Ca 0.14 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2wqt h ALA 207 Cb 0.44 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2wqt h ALA 207 CO 0.02 0.30 0.30 0.00 0.00 0.00 0.00 179.25 179.86 2wqt h ALA 208 N 1.19 1.02 -0.03 0.00 0.00 -1.26 -1.16 119.26 119.03 2wqt h ALA 208 Ca 0.23 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2wqt h ALA 208 Cb -0.01 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 2wqt h ALA 208 CO -0.04 0.67 0.01 0.28 0.00 0.00 0.00 179.25 180.16 2wqt h VAL 209 N 1.15 1.18 -0.57 0.00 2.07 -0.49 -0.22 116.25 119.37 2wqt h VAL 209 Ca 0.26 -0.55 0.10 0.00 0.82 0.00 0.00 66.70 67.33 2wqt h VAL 209 Cb 0.24 1.51 -0.08 0.00 -1.52 0.00 0.00 31.29 31.44 2wqt h VAL 209 CO -0.02 0.15 0.14 -0.25 0.02 0.00 0.00 177.57 177.61 2wqt h TRP 210 N -0.18 0.24 -0.19 1.57 7.01 -0.83 -1.80 115.95 121.77 2wqt h TRP 210 Ca 0.01 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.02 2wqt h TRP 210 Cb 0.23 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.27 2wqt h TRP 210 CO 0.00 0.00 0.03 1.25 -2.79 0.00 0.00 178.44 176.94 2wqt h LEU 211 N 0.29 0.30 -0.90 0.65 5.85 -1.02 -1.98 115.31 118.51 2wqt h LEU 211 Ca 0.30 -0.26 0.10 0.00 0.84 0.00 0.00 57.88 58.85 2wqt h LEU 211 Cb 0.41 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.29 2wqt h LEU 211 CO -0.36 0.49 0.54 0.00 -0.34 0.00 0.00 178.44 178.77 2wqt h ALA 212 N 0.83 1.30 0.06 1.25 0.00 -0.56 -0.50 119.26 121.63 2wqt h ALA 212 Ca 0.06 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2wqt h ALA 212 Cb 0.32 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2wqt h ALA 212 CO 0.00 0.17 -0.03 0.00 0.00 0.00 0.00 179.25 179.40 2wqt h ARG 213 N 0.89 -0.07 -0.20 0.00 3.08 -1.21 -1.90 114.38 114.97 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 0.38 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.37 2wqt h ARG 213 CO -0.24 0.28 -0.33 0.87 -1.07 0.00 0.00 179.97 179.48 2wqt h LYS 214 N -0.44 -0.35 -0.85 0.04 1.79 -0.86 -0.27 116.57 115.63 2wqt h LYS 214 Ca -0.01 0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.50 2wqt h LYS 214 Cb 0.39 0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 31.08 2wqt h LYS 214 CO 0.01 -0.24 0.56 0.52 -1.08 0.00 0.00 179.45 179.23 2wqt h MET 215 N -0.37 1.10 -0.73 3.15 2.86 -1.10 -0.38 114.93 119.46 2wqt h MET 215 Ca 0.11 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 2wqt h MET 215 Cb 0.55 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 2wqt h MET 215 CO -0.40 0.73 0.36 0.00 1.06 0.00 0.00 176.91 178.66 2wqt h ALA 216 N 1.32 0.94 0.00 6.32 0.00 -0.91 -1.03 119.26 125.89 2wqt h ALA 216 Ca 0.32 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2wqt h ALA 216 Cb -0.10 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.40 2wqt h ALA 216 CO -0.08 0.49 0.00 0.66 0.00 0.00 0.00 179.25 180.32 2wqt h SER 217 N 1.02 0.00 0.20 0.00 4.64 -0.07 -2.52 113.55 116.81 2wqt h SER 217 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2wqt h SER 217 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2wqt h SER 217 CO -0.03 0.00 -0.05 0.18 -0.87 0.00 0.00 176.83 176.06 2wqt n LEU 218 N -2.89 0.47 -0.30 5.97 4.32 -0.25 -4.91 117.00 119.41 2wqt n LEU 218 Ca 0.03 -0.06 -0.04 0.00 -0.02 0.00 0.00 56.01 55.92 2wqt n LEU 218 Cb 0.44 -0.10 -0.02 0.00 -1.62 0.00 0.00 43.42 42.12 2wqt n LEU 218 CO 0.31 0.08 -0.04 0.61 -1.22 0.00 0.00 177.39 177.13 2wqt n GLY 219 N 1.18 0.68 2.57 -0.72 0.00 -0.95 -4.97 105.19 102.98 2wqt n GLY 219 Ca 0.18 -0.56 -0.26 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.55 2.55 -1.67 1.61 1.02 -0.42 -5.03 120.64 116.15 2wqt n GLU 220 Ca -0.04 -4.55 -0.38 0.00 -0.02 0.00 0.00 57.16 52.17 2wqt n GLU 220 Cb 0.17 -2.14 0.05 0.00 -0.02 0.00 0.00 31.44 29.51 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 0.47 1.17 -1.85 3.49 -0.02 -1.20 -4.42 135.00 132.64 2wqt n PRO 221 Ca 0.29 0.44 -0.41 0.00 -2.02 0.00 0.00 63.50 61.80 2wqt n PRO 221 Cb 0.43 -2.32 -0.02 0.00 -0.02 0.00 0.00 33.50 31.57 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 -2.66 4.36 0.15 2.45 1.43 -1.26 -4.88 118.68 118.27 2wqt s LEU 222 Ca 0.75 2.87 -0.01 0.00 -1.03 0.00 0.00 54.13 56.71 2wqt s LEU 222 Cb -0.42 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.12 2wqt s LEU 222 CO 0.47 -0.85 0.33 -0.13 0.23 0.00 0.00 176.35 176.41 2wqt s ARG 223 N -0.52 3.51 0.28 1.70 0.52 -1.26 -1.30 118.95 121.89 2wqt s ARG 223 Ca 0.62 -0.34 -0.30 0.00 -0.52 0.00 0.00 55.73 55.19 2wqt s ARG 223 Cb -0.46 -2.90 -0.13 0.00 0.52 0.00 0.00 34.95 31.98 2wqt s ARG 223 CO 0.47 0.48 1.29 -2.37 0.02 0.00 0.00 175.30 175.19 2wqt n THR 224 N -0.26 1.48 0.00 0.02 5.66 -1.22 -1.81 114.28 118.15 2wqt n THR 224 Ca -0.05 -0.37 0.00 0.00 -3.05 0.00 0.00 64.05 60.59 2wqt n THR 224 Cb 0.53 -1.39 0.00 0.00 -1.55 0.00 0.00 70.33 67.91 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 1.52 2.24 3.74 1.09 0.00 -0.37 -4.91 105.19 108.49 2wqt n GLY 225 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 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 2.50 -4.71 1.61 10.43 -0.75 -4.64 116.55 120.99 2wqt n ASP 226 Ca 0.00 0.94 -0.35 0.00 2.57 0.00 0.00 54.79 57.94 2wqt n ASP 226 Cb 0.00 -1.57 -0.09 0.00 1.84 0.00 0.00 41.12 41.30 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 -1.32 4.64 -0.16 0.53 2.07 -0.19 -2.41 121.20 124.36 2wqt s ILE 227 Ca 0.75 -0.12 0.01 0.00 -1.41 0.00 0.00 60.65 59.88 2wqt s ILE 227 Cb -0.41 -2.99 0.02 0.00 0.13 0.00 0.00 42.46 39.21 2wqt s ILE 227 CO 0.47 0.58 -0.17 -0.63 -1.91 0.00 0.00 174.94 173.27 2wqt s ILE 228 N -0.67 1.83 -0.35 2.00 1.01 0.30 -1.89 121.20 123.42 2wqt s ILE 228 Ca 0.11 -0.80 -0.21 0.00 0.00 0.00 0.00 60.65 59.75 2wqt s ILE 228 Cb -0.12 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 40.69 2wqt s ILE 228 CO 0.02 0.50 0.69 -0.76 0.00 0.00 0.00 174.94 175.39 2wqt s LEU 229 N 1.32 4.20 0.00 2.97 1.43 -0.68 -0.89 118.68 127.04 2wqt s LEU 229 Ca 0.03 0.25 0.26 0.00 -1.03 0.00 0.00 54.13 53.64 2wqt s LEU 229 Cb -0.13 -2.87 1.15 0.00 0.03 0.00 0.00 46.19 44.37 2wqt s LEU 229 CO -0.11 -0.63 1.79 0.35 0.23 0.00 0.00 176.35 177.98 2wqt n THR 230 N 5.63 0.06 0.00 5.49 -2.24 -0.75 -0.52 114.28 121.95 2wqt n THR 230 Ca 0.00 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2wqt n THR 230 Cb 0.48 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 1.08 3.03 3.73 3.38 0.00 -1.22 -4.76 105.19 110.43 2wqt n GLY 231 Ca 0.19 -1.93 -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 -2.83 3.71 -0.29 4.61 0.00 -1.26 -4.34 121.76 121.36 2wqt s ALA 232 Ca 0.00 1.34 0.21 0.00 0.00 0.00 0.00 51.96 53.50 2wqt s ALA 232 Cb 0.00 -3.59 0.13 0.00 0.00 0.00 0.00 23.12 19.65 2wqt s ALA 232 CO 0.00 -0.76 1.31 -0.07 0.00 0.00 0.00 175.76 176.24 2wqt h LEU 233 N 6.09 0.00 -8.20 0.00 3.38 -1.34 -3.40 115.31 111.84 2wqt h LEU 233 Ca -0.44 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.45 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 0.86 0.16 0.05 -0.83 0.09 0.00 0.00 178.44 178.77 2wqt s GLY 234 N -4.38 0.64 0.47 0.83 0.00 -1.26 -2.32 107.32 101.30 2wqt s GLY 234 Ca 0.03 -0.92 -0.24 0.00 0.00 0.00 0.00 44.72 43.59 2wqt s GLY 234 CO 0.74 -0.54 1.35 -4.14 0.00 0.00 0.00 173.10 170.51 2wqt s PRO 235 N -3.17 3.61 0.62 2.90 0.02 -1.26 -4.69 135.00 133.02 2wqt s PRO 235 Ca 0.20 2.24 -0.14 0.00 0.02 0.00 0.00 61.00 63.32 2wqt s PRO 235 Cb -0.03 -2.55 -0.02 0.00 0.02 0.00 0.00 34.50 31.92 2wqt s PRO 235 CO 0.13 -0.82 1.06 0.00 -0.33 0.00 0.00 177.00 177.04 2wqt s MET 236 N -2.55 3.20 0.10 5.54 0.23 -1.26 -4.81 119.30 119.74 2wqt s MET 236 Ca 0.63 1.14 0.05 0.00 -1.03 0.00 0.00 55.69 56.48 2wqt s MET 236 Cb -0.40 -2.02 -0.03 0.00 -1.53 0.00 0.00 34.83 30.85 2wqt s MET 236 CO 0.50 -0.90 -0.13 0.14 -2.03 0.00 0.00 175.02 172.60 2wqt s VAL 237 N -2.61 1.15 0.30 5.16 -7.23 -0.61 -4.95 120.40 111.61 2wqt s VAL 237 Ca 0.62 -1.53 -0.29 0.00 -1.81 0.00 0.00 61.98 58.97 2wqt s VAL 237 Cb -0.15 -1.30 -0.10 0.00 0.56 0.00 0.00 36.38 35.39 2wqt s VAL 237 CO 0.42 -0.37 1.21 0.00 -0.31 0.00 0.00 175.10 176.05 2wqt s ALA 238 N -1.84 3.45 -0.18 1.32 0.00 -1.26 -1.65 121.76 121.60 2wqt s ALA 238 Ca 0.04 1.08 -0.12 0.00 0.00 0.00 0.00 51.96 52.96 2wqt s ALA 238 Cb -0.07 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.60 2wqt s ALA 238 CO 0.02 -0.41 0.21 0.08 0.00 0.00 0.00 175.76 175.67 2wqt s VAL 239 N -1.12 5.36 0.23 0.00 1.01 -0.78 -4.89 120.40 120.21 2wqt s VAL 239 Ca 0.47 0.37 0.10 0.00 0.00 0.00 0.00 61.98 62.92 2wqt s VAL 239 Cb -0.36 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 2wqt s VAL 239 CO 0.47 0.41 -0.08 0.20 0.00 0.00 0.00 175.10 176.10 2wqt s ASN 240 N 0.42 4.23 0.16 3.32 0.02 -1.26 -4.74 114.94 117.08 2wqt s ASN 240 Ca 0.12 -0.68 -0.33 0.00 -1.02 0.00 0.00 52.86 50.95 2wqt s ASN 240 Cb -0.12 -0.68 -0.16 0.00 0.02 0.00 0.00 41.25 40.31 2wqt s ASN 240 CO 0.01 0.06 1.14 0.00 0.02 0.00 0.00 177.10 178.33 2wqt n ALA 241 N -0.41 -1.02 0.00 0.60 0.00 -1.26 -1.85 120.51 116.58 2wqt n ALA 241 Ca -0.08 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2wqt n ALA 241 Cb 0.57 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 18.02 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 2.01 2.80 3.76 0.00 0.00 0.17 -4.98 105.19 108.95 2wqt n GLY 242 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 3.67 -4.24 1.61 10.43 -0.77 -4.60 116.55 122.65 2wqt n ASP 243 Ca 0.00 1.20 -0.34 0.00 2.57 0.00 0.00 54.79 58.22 2wqt n ASP 243 Cb 0.00 -1.59 -0.15 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 -1.63 3.21 -0.03 -1.24 3.52 -1.26 -0.95 118.95 120.57 2wqt s ARG 244 Ca 0.57 -0.72 0.00 0.00 -0.13 0.00 0.00 55.73 55.45 2wqt s ARG 244 Cb -0.50 -2.88 -0.04 0.00 -1.56 0.00 0.00 34.95 29.98 2wqt s ARG 244 CO 0.59 -0.22 0.01 -0.06 -0.81 0.00 0.00 175.30 174.81 2wqt s PHE 245 N 1.41 3.12 -0.07 5.12 0.40 0.57 -0.80 117.98 127.73 2wqt s PHE 245 Ca 0.05 0.13 -0.03 0.00 -0.60 0.00 0.00 56.93 56.48 2wqt s PHE 245 Cb -0.14 -1.71 0.04 0.00 0.51 0.00 0.00 43.02 41.72 2wqt s PHE 245 CO -0.06 0.47 0.16 -2.00 0.70 0.00 0.00 175.22 174.49 2wqt s GLU 246 N -1.35 0.11 0.01 0.44 2.12 -0.79 -1.14 118.70 118.10 2wqt s GLU 246 Ca 0.18 0.40 0.08 0.00 0.36 0.00 0.00 54.97 55.99 2wqt s GLU 246 Cb -0.11 -0.17 -0.03 0.00 0.26 0.00 0.00 34.13 34.07 2wqt s GLU 246 CO 0.08 -0.17 -0.23 0.00 -0.54 0.00 0.00 175.26 174.39 2wqt s ALA 247 N 1.22 2.33 -0.13 6.30 0.00 0.06 -0.46 121.76 131.08 2wqt s ALA 247 Ca -0.09 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 50.71 2wqt s ALA 247 Cb -0.11 -0.61 -0.00 0.00 0.00 0.00 0.00 23.12 22.40 2wqt s ALA 247 CO -0.06 0.54 -0.18 -1.01 0.00 0.00 0.00 175.76 175.05 2wqt s HIS 248 N -0.75 2.72 -0.25 0.00 3.76 0.26 -1.61 115.29 119.42 2wqt s HIS 248 Ca 0.12 -0.98 -0.00 0.00 -0.15 0.00 0.00 55.06 54.04 2wqt s HIS 248 Cb -0.10 -1.82 0.04 0.00 1.11 0.00 0.00 32.58 31.80 2wqt s HIS 248 CO 0.01 -0.41 -0.07 0.42 -0.85 0.00 0.00 174.74 173.84 2wqt s ILE 249 N 0.58 2.67 0.07 0.60 1.01 0.38 -2.04 121.20 124.47 2wqt s ILE 249 Ca -0.10 -1.20 -0.33 0.00 0.00 0.00 0.00 60.65 59.01 2wqt s ILE 249 Cb -0.16 -2.41 -0.12 0.00 0.01 0.00 0.00 42.46 39.78 2wqt s ILE 249 CO 0.03 0.13 1.76 1.21 0.00 0.00 0.00 174.94 178.08 2wqt n GLU 250 N 4.61 2.38 -0.46 2.79 2.13 -0.02 -1.18 120.64 130.89 2wqt n GLU 250 Ca -0.16 0.86 0.00 0.00 0.66 0.00 0.00 57.16 58.53 2wqt n GLU 250 Cb 0.46 -2.70 0.00 0.00 0.27 0.00 0.00 31.44 29.47 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 4.00 1.72 0.93 8.31 0.00 -1.26 -4.51 105.19 114.38 2wqt n GLY 251 Ca 0.19 0.00 -0.02 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 0.69 -0.76 -0.61 5.41 -0.46 -4.85 119.36 116.77 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 -1.60 0.00 0.00 -0.71 0.00 0.00 39.64 37.33 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 3.04 -0.13 3.14 7.39 0.00 -0.32 -4.01 105.19 114.30 2wqt n GLY 253 Ca -0.04 -1.10 -0.10 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 0.11 0.03 1.61 1.04 -0.37 -0.47 113.70 111.65 2wqt s SER 254 Ca 0.00 -0.44 0.03 0.00 0.48 0.00 0.00 55.95 56.02 2wqt s SER 254 Cb 0.00 0.25 -0.02 0.00 0.10 0.00 0.00 66.02 66.35 2wqt s SER 254 CO 0.00 -0.52 -0.10 -0.69 0.98 0.00 0.00 173.24 172.91 2wqt s VAL 255 N -2.53 0.76 0.03 5.02 1.01 -0.63 -2.69 120.40 121.38 2wqt s VAL 255 Ca -0.06 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.12 2wqt s VAL 255 Cb -0.01 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.63 2wqt s VAL 255 CO -0.04 -0.08 -0.07 0.00 0.00 0.00 0.00 175.10 174.90 2wqt s ALA 256 N -0.83 0.55 -0.06 5.51 0.00 -1.26 -0.76 121.76 124.91 2wqt s ALA 256 Ca -0.02 -0.67 -0.11 0.00 0.00 0.00 0.00 51.96 51.15 2wqt s ALA 256 Cb -0.07 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.09 2wqt s ALA 256 CO 0.01 0.00 0.28 0.00 0.00 0.00 0.00 175.76 176.04 2wqt s ALA 257 N -1.17 -0.69 -0.02 0.00 0.00 -0.29 -0.54 121.76 119.04 2wqt s ALA 257 Ca -0.08 0.51 0.07 0.00 0.00 0.00 0.00 51.96 52.45 2wqt s ALA 257 Cb -0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 2wqt s ALA 257 CO 0.00 -0.19 -0.23 0.99 0.00 0.00 0.00 175.76 176.33 2wqt s THR 258 N -0.60 1.84 -0.12 0.00 2.01 -0.99 -0.32 115.64 117.46 2wqt s THR 258 Ca -0.07 -0.99 -0.07 0.00 0.31 0.00 0.00 61.69 60.88 2wqt s THR 258 Cb -0.04 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 2wqt s THR 258 CO 0.02 0.52 0.12 -0.36 -0.69 0.00 0.00 174.62 174.23 2wqt s PHE 259 N -0.46 3.54 0.00 4.92 0.08 -0.13 -0.19 117.98 125.75 2wqt s PHE 259 Ca 0.07 0.48 0.00 0.00 0.12 0.00 0.00 56.93 57.60 2wqt s PHE 259 Cb -0.10 -1.93 0.00 0.00 -0.57 0.00 0.00 43.02 40.42 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 2.06 -0.16 -0.36 1.36 3.41 -0.35 -2.12 113.62 117.47 2wqt n SER 260 Ca -0.20 -0.09 0.04 0.00 -0.26 0.00 0.00 58.87 58.37 2wqt n SER 260 Cb 0.55 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