#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 0.39 -0.01 3.23 4.05 -2.08 -3.23 114.93 117.28 2wqt h MET 1 Ca 0.00 -0.31 0.00 0.00 -0.28 0.00 0.00 59.70 59.11 2wqt h MET 1 Cb 0.00 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 30.86 2wqt h MET 1 CO 0.00 0.95 -0.04 0.25 0.23 0.00 0.00 176.91 178.30 2wqt n THR 2 N -4.37 0.00 -0.34 -0.77 -2.24 -1.26 -4.35 114.28 100.95 2wqt n THR 2 Ca -0.08 -0.21 -0.02 0.00 -2.27 0.00 0.00 64.05 61.47 2wqt n THR 2 Cb 0.53 0.41 0.11 0.00 -2.10 0.00 0.00 70.33 69.27 2wqt n THR 2 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2wqt h LYS 3 N 1.99 1.18 -0.58 -0.78 3.64 -1.99 0.40 116.57 120.42 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 0.47 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 2wqt h LYS 3 CO 0.00 0.78 0.17 1.25 -2.27 0.00 0.00 179.45 179.38 2wqt h HIS 4 N 1.21 0.94 -0.84 1.91 2.76 -1.79 -1.54 115.15 117.80 2wqt h HIS 4 Ca 0.35 -0.10 -0.01 0.00 -2.20 0.00 0.00 60.37 58.41 2wqt h HIS 4 Cb -0.09 -0.27 -0.04 0.00 1.55 0.00 0.00 27.41 28.56 2wqt h HIS 4 CO -0.01 0.79 0.48 1.15 -1.30 0.00 0.00 177.93 179.04 2wqt h THR 5 N 0.82 1.24 -0.34 6.26 2.02 -1.65 -2.20 112.91 119.07 2wqt h THR 5 Ca 0.19 -0.57 0.01 0.00 0.77 0.00 0.00 66.41 66.80 2wqt h THR 5 Cb 0.30 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 2wqt h THR 5 CO -0.00 0.26 0.21 -0.07 0.37 0.00 0.00 175.52 176.29 2wqt h LEU 6 N 1.17 0.36 -0.72 2.58 4.07 -0.58 -0.88 115.31 121.30 2wqt h LEU 6 Ca 0.30 -0.01 0.08 0.00 0.08 0.00 0.00 57.88 58.33 2wqt h LEU 6 Cb -0.00 -0.08 -0.07 0.00 1.08 0.00 0.00 40.66 41.59 2wqt h LEU 6 CO -0.05 0.26 0.39 -0.33 -1.08 0.00 0.00 178.44 177.63 2wqt h GLU 7 N 0.44 0.66 -0.10 1.13 4.39 -1.08 -0.13 114.58 119.88 2wqt h GLU 7 Ca 0.13 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 2wqt h GLU 7 Cb -0.03 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.46 2wqt h GLU 7 CO -0.04 0.44 0.05 1.96 -1.16 0.00 0.00 179.01 180.26 2wqt h GLN 8 N 0.68 0.15 -0.65 2.33 4.20 -0.92 -1.34 115.11 119.56 2wqt h GLN 8 Ca 0.34 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.97 2wqt h GLN 8 Cb 0.30 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 2wqt h GLN 8 CO -0.23 0.22 0.18 -0.07 -0.67 0.00 0.00 178.83 178.26 2wqt h LEU 9 N 0.04 0.98 -0.49 1.46 3.38 -0.97 -1.06 115.31 118.64 2wqt h LEU 9 Ca 0.04 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 57.83 2wqt h LEU 9 Cb 0.12 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 2wqt h LEU 9 CO -0.00 0.95 0.23 0.00 0.09 0.00 0.00 178.44 179.70 2wqt h ALA 10 N 1.07 0.62 -0.84 1.53 0.00 -0.90 -1.16 119.26 119.59 2wqt h ALA 10 Ca 0.21 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 2wqt h ALA 10 Cb 0.34 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2wqt h ALA 10 CO -0.00 -0.14 0.42 0.00 0.00 0.00 0.00 179.25 179.53 2wqt h ALA 11 N 1.29 1.15 -0.61 0.00 0.00 -0.95 -1.61 119.26 118.53 2wqt h ALA 11 Ca 0.22 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2wqt h ALA 11 Cb 0.17 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 2wqt h ALA 11 CO -0.18 0.65 0.38 -0.44 0.00 0.00 0.00 179.25 179.65 2wqt h ASP 12 N 1.19 0.62 -0.42 0.00 3.32 -0.50 -0.71 116.42 119.92 2wqt h ASP 12 Ca 0.29 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.28 2wqt h ASP 12 Cb 0.09 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 2wqt h ASP 12 CO -0.04 0.43 0.04 -0.07 -1.72 0.00 0.00 179.24 177.88 2wqt h LEU 13 N 0.74 0.75 -0.33 1.55 4.07 -0.97 -0.57 115.31 120.56 2wqt h LEU 13 Ca 0.25 -0.16 -0.09 0.00 0.08 0.00 0.00 57.88 57.96 2wqt h LEU 13 Cb 0.02 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.55 2wqt h LEU 13 CO -0.10 0.79 -0.13 0.03 -1.08 0.00 0.00 178.44 177.95 2wqt h ARG 14 N 0.75 0.68 -0.63 1.13 3.08 -0.84 -2.68 114.38 115.87 2wqt h ARG 14 Ca 0.15 -0.28 -0.09 0.00 0.07 0.00 0.00 59.98 59.83 2wqt h ARG 14 Cb 0.39 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 2wqt h ARG 14 CO 0.01 0.87 0.03 -0.09 -1.07 0.00 0.00 179.97 179.72 2wqt h ARG 15 N 0.45 1.09 -0.51 0.04 2.43 -1.04 -1.22 114.38 115.61 2wqt h ARG 15 Ca 0.08 -0.33 0.10 0.00 -0.81 0.00 0.00 59.98 59.02 2wqt h ARG 15 Cb 0.65 -0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 30.01 2wqt h ARG 15 CO 0.04 1.04 -0.00 0.00 -1.51 0.00 0.00 179.97 179.54 2wqt h ALA 16 N 1.00 0.48 -0.16 2.80 0.00 -1.04 -0.75 119.26 121.60 2wqt h ALA 16 Ca 0.18 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 2wqt h ALA 16 Cb 0.53 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2wqt h ALA 16 CO 0.03 -0.39 -0.03 0.00 0.00 0.00 0.00 179.25 178.86 2wqt h ALA 17 N 1.46 0.22 -0.78 0.00 0.00 -1.17 -1.16 119.26 117.82 2wqt h ALA 17 Ca 0.26 -0.23 0.09 0.00 0.00 0.00 0.00 54.91 55.03 2wqt h ALA 17 Cb 0.39 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 2wqt h ALA 17 CO -0.43 -0.03 0.51 0.93 0.00 0.00 0.00 179.25 180.23 2wqt h GLU 18 N 0.01 0.72 0.00 0.00 5.08 -0.93 -2.98 114.58 116.48 2wqt h GLU 18 Ca 0.04 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wqt h GLU 18 Cb 0.45 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2wqt h GLU 18 CO 0.01 0.47 -1.10 1.04 -1.00 0.00 0.00 179.01 178.44 2wqt n GLN 19 N -4.50 0.21 -3.03 2.33 6.02 -0.31 -4.97 117.38 113.14 2wqt n GLN 19 Ca 0.13 -0.03 -0.22 0.00 -0.01 0.00 0.00 57.00 56.87 2wqt n GLN 19 Cb 0.30 -1.54 0.04 0.00 1.02 0.00 0.00 30.24 30.06 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 1.41 -0.50 2.94 1.08 0.00 -0.48 -5.01 105.19 104.64 2wqt n GLY 20 Ca 0.02 0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -5.71 1.77 0.47 1.61 2.02 -0.98 -5.06 118.70 112.82 2wqt s GLU 21 Ca 0.31 -0.59 -0.22 0.00 0.02 0.00 0.00 54.97 54.49 2wqt s GLU 21 Cb -0.14 -2.09 -0.08 0.00 0.10 0.00 0.00 34.13 31.92 2wqt s GLU 21 CO 0.38 -0.38 1.09 0.00 0.02 0.00 0.00 175.26 176.38 2wqt s ALA 22 N 1.55 2.92 0.41 5.21 0.00 -1.26 -4.43 121.76 126.16 2wqt s ALA 22 Ca 0.01 0.76 0.08 0.00 0.00 0.00 0.00 51.96 52.81 2wqt s ALA 22 Cb -0.15 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 2wqt s ALA 22 CO -0.08 -0.46 0.31 0.96 0.00 0.00 0.00 175.76 176.48 2wqt s ILE 23 N -1.74 2.57 0.55 0.00 -4.36 0.04 -4.63 121.20 113.63 2wqt s ILE 23 Ca 0.65 -1.47 -0.19 0.00 -0.26 0.00 0.00 60.65 59.38 2wqt s ILE 23 Cb -0.22 -3.00 -0.06 0.00 1.25 0.00 0.00 42.46 40.43 2wqt s ILE 23 CO 0.27 -0.01 1.11 0.00 0.24 0.00 0.00 174.94 176.55 2wqt s ALA 24 N -2.51 2.71 0.44 2.27 0.00 -1.26 -0.54 121.76 122.86 2wqt s ALA 24 Ca 0.45 0.75 -0.24 0.00 0.00 0.00 0.00 51.96 52.92 2wqt s ALA 24 Cb -0.01 -3.33 -0.10 0.00 0.00 0.00 0.00 23.12 19.68 2wqt s ALA 24 CO 0.26 -0.74 1.01 -2.30 0.00 0.00 0.00 175.76 173.99 2wqt n PRO 25 N -1.37 1.33 0.02 0.00 -0.02 -1.26 -4.88 135.00 128.83 2wqt n PRO 25 Ca 0.11 0.48 0.12 0.00 -2.02 0.00 0.00 63.50 62.19 2wqt n PRO 25 Cb 0.51 -2.06 0.28 0.00 -0.02 0.00 0.00 33.50 32.21 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 0.40 0.51 -0.24 2.45 4.32 -1.26 -4.58 117.00 118.60 2wqt n LEU 26 Ca 0.10 0.16 0.02 0.00 -0.02 0.00 0.00 56.01 56.26 2wqt n LEU 26 Cb 0.40 -0.26 0.14 0.00 -1.62 0.00 0.00 43.42 42.08 2wqt n LEU 26 CO 0.56 0.04 1.03 0.08 -1.22 0.00 0.00 177.39 177.88 2wqt h ARG 27 N 0.00 0.49 0.00 3.23 0.11 -1.93 -1.20 114.38 115.08 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 0.59 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 31.54 2wqt h ARG 27 CO 0.00 0.32 -0.50 -0.44 0.10 0.00 0.00 179.97 179.46 2wqt h ASP 28 N 0.50 0.00 1.11 0.08 3.32 -1.92 0.24 116.42 119.76 2wqt h ASP 28 Ca 0.35 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.29 2wqt h ASP 28 Cb 0.44 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 2wqt h ASP 28 CO -0.32 0.50 -0.54 -0.07 -1.72 0.00 0.00 179.24 177.10 2wqt h LEU 29 N 0.00 0.00 0.00 1.55 4.07 -1.54 -3.34 115.31 116.05 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 0.95 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.69 2wqt h LEU 29 CO 0.06 0.54 -1.23 2.30 -1.08 0.00 0.00 178.44 179.04 2wqt n ILE 30 N -3.40 0.00 0.00 1.22 -5.35 -1.01 -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 0.67 0.45 0.00 0.00 -1.74 0.00 0.00 39.64 39.02 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 1.72 1.55 0.45 3.28 0.00 0.84 -4.55 105.19 108.47 2wqt n GLY 31 Ca -0.01 -1.28 0.28 0.00 0.00 0.00 0.00 46.02 45.01 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 0.43 -1.11 -0.61 2.10 -1.90 -0.82 117.51 115.61 2wqt h ILE 32 Ca 0.00 -0.08 -0.56 0.00 1.08 0.00 0.00 64.86 65.30 2wqt h ILE 32 Cb 0.00 0.17 -0.42 0.00 -1.09 0.00 0.00 36.82 35.48 2wqt h ILE 32 CO 0.00 0.04 -0.80 -0.90 -1.08 0.00 0.00 178.15 175.42 2wqt n ASP 33 N -4.51 4.64 -4.29 2.19 5.75 -1.26 -4.52 116.55 114.55 2wqt n ASP 33 Ca 0.27 -3.66 -0.44 0.00 -0.01 0.00 0.00 54.79 50.95 2wqt n ASP 33 Cb 1.07 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 40.75 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 5.47 -0.19 -1.12 2.85 -0.31 -4.85 115.26 116.53 2wqt n ASN 34 Ca 0.40 -3.07 -0.07 0.00 -0.11 0.00 0.00 54.58 51.73 2wqt n ASN 34 Cb 0.82 -1.45 0.02 0.00 1.24 0.00 0.00 39.78 40.41 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 6.58 0.69 -0.81 5.20 0.00 -1.89 -2.78 119.26 126.24 2wqt h ALA 35 Ca 0.26 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.22 2wqt h ALA 35 Cb 0.81 -0.22 -0.09 0.00 0.00 0.00 0.00 17.79 18.30 2wqt h ALA 35 CO 1.22 0.19 0.41 1.49 0.00 0.00 0.00 179.25 182.56 2wqt h GLU 36 N 0.72 0.62 -0.24 0.00 4.81 -2.00 -1.61 114.58 116.88 2wqt h GLU 36 Ca 0.19 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.29 2wqt h GLU 36 Cb 0.01 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.25 2wqt h GLU 36 CO -0.03 0.41 -0.23 0.00 -0.73 0.00 0.00 179.01 178.42 2wqt h ALA 37 N 1.51 0.35 -0.41 2.92 0.00 -1.91 -1.54 119.26 120.19 2wqt h ALA 37 Ca 0.42 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 55.01 2wqt h ALA 37 Cb 0.54 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 2wqt h ALA 37 CO -0.33 0.32 0.14 0.00 0.00 0.00 0.00 179.25 179.37 2wqt h ALA 38 N 0.68 0.48 -0.37 0.00 0.00 -1.17 -0.63 119.26 118.25 2wqt h ALA 38 Ca 0.04 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2wqt h ALA 38 Cb 0.79 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2wqt h ALA 38 CO 0.06 -0.26 0.03 1.88 0.00 0.00 0.00 179.25 180.96 2wqt h TYR 39 N 0.29 0.58 -0.74 0.00 -1.99 -1.26 -2.17 116.97 111.69 2wqt h TYR 39 Ca 0.19 -0.05 -0.06 0.00 2.00 0.00 0.00 58.73 60.80 2wqt h TYR 39 Cb 0.18 -0.17 -0.03 0.00 2.00 0.00 0.00 36.73 38.71 2wqt h TYR 39 CO -0.16 0.55 0.22 0.00 -0.00 0.00 0.00 178.16 178.78 2wqt h ALA 40 N 1.49 0.97 -0.25 3.88 0.00 -0.39 -0.50 119.26 124.45 2wqt h ALA 40 Ca 0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2wqt h ALA 40 Cb 0.31 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2wqt h ALA 40 CO 0.01 0.66 0.10 0.82 0.00 0.00 0.00 179.25 180.84 2wqt h ILE 41 N 1.10 1.17 -0.59 0.00 2.04 -0.78 0.81 117.51 121.26 2wqt h ILE 41 Ca 0.24 -0.52 0.06 0.00 1.00 0.00 0.00 64.86 65.64 2wqt h ILE 41 Cb 0.32 1.04 -0.06 0.00 -0.74 0.00 0.00 36.82 37.38 2wqt h ILE 41 CO -0.01 0.17 0.29 -0.61 0.00 0.00 0.00 178.15 177.99 2wqt h GLN 42 N 0.26 0.51 -0.31 2.37 4.15 -1.27 -2.47 115.11 118.37 2wqt h GLN 42 Ca 0.09 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 2wqt h GLN 42 Cb 0.18 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 2wqt h GLN 42 CO -0.01 0.34 0.16 1.25 -1.93 0.00 0.00 178.83 178.64 2wqt h HIS 43 N 0.53 0.43 -0.49 3.99 2.76 -0.75 -0.28 115.15 121.34 2wqt h HIS 43 Ca 0.27 -0.02 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 -0.11 0.37 -0.17 0.82 -1.30 0.00 0.00 177.93 177.53 2wqt h ILE 44 N 0.37 0.42 -0.11 6.26 1.08 -0.59 0.48 117.51 125.42 2wqt h ILE 44 Ca 0.11 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.45 2wqt h ILE 44 Cb 0.09 0.42 -0.01 0.00 -3.07 0.00 0.00 36.82 34.25 2wqt h ILE 44 CO -0.02 0.00 -0.48 0.78 -0.69 0.00 0.00 178.15 177.75 2wqt h ASN 45 N -0.06 0.31 -0.24 1.72 2.35 -1.08 -0.65 115.58 117.93 2wqt h ASN 45 Ca 0.23 -0.15 -0.05 0.00 -0.55 0.00 0.00 56.30 55.79 2wqt h ASN 45 Cb 0.42 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 2wqt h ASN 45 CO -0.54 0.75 -0.04 0.58 -1.65 0.00 0.00 177.43 176.52 2wqt h VAL 46 N 0.23 1.28 -0.95 2.81 2.07 -0.67 -2.50 116.25 118.52 2wqt h VAL 46 Ca 0.01 -1.03 -0.00 0.00 0.82 0.00 0.00 66.70 66.50 2wqt h VAL 46 Cb 0.93 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 32.12 2wqt h VAL 46 CO 0.08 0.32 0.57 -0.61 0.02 0.00 0.00 177.57 177.95 2wqt h GLN 47 N 0.20 1.28 -0.33 1.57 5.75 -0.64 -0.05 115.11 122.89 2wqt h GLN 47 Ca 0.06 -0.11 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 2wqt h GLN 47 Cb 0.50 -0.27 -0.01 0.00 1.07 0.00 0.00 27.48 28.76 2wqt h GLN 47 CO 0.02 0.89 0.13 1.25 -2.65 0.00 0.00 178.83 178.47 2wqt h HIS 48 N 1.30 0.52 -0.39 3.99 2.76 -1.10 -2.23 115.15 120.00 2wqt h HIS 48 Ca 0.34 -0.04 -0.13 0.00 -2.20 0.00 0.00 60.37 58.34 2wqt h HIS 48 Cb -0.06 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 28.73 2wqt h HIS 48 CO 0.01 0.49 -0.26 -0.44 -1.30 0.00 0.00 177.93 176.42 2wqt h ASP 49 N 0.39 0.83 -0.88 3.26 3.32 -0.97 -2.89 116.42 119.47 2wqt h ASP 49 Ca 0.11 -0.32 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 2wqt h ASP 49 Cb 0.20 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 2wqt h ASP 49 CO -0.01 1.04 0.49 0.58 -1.72 0.00 0.00 179.24 179.63 2wqt h VAL 50 N 0.69 1.25 0.00 -1.35 2.07 -0.90 -1.30 116.25 116.71 2wqt h VAL 50 Ca 0.09 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 2wqt h VAL 50 Cb 0.79 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2wqt h VAL 50 CO 0.07 0.28 -0.02 0.00 0.02 0.00 0.00 177.57 177.91 2wqt h ALA 51 N 1.31 1.19 -0.57 1.67 0.00 -1.20 0.15 119.26 121.80 2wqt h ALA 51 Ca 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2wqt h ALA 51 Cb 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2wqt h ALA 51 CO -0.05 0.03 0.00 1.04 0.00 0.00 0.00 179.25 180.27 2wqt n GLN 52 N -3.38 2.69 -0.53 0.00 6.02 -0.56 -4.94 117.38 116.69 2wqt n GLN 52 Ca -0.02 -2.21 0.00 0.00 -0.01 0.00 0.00 57.00 54.75 2wqt n GLN 52 Cb 0.13 -1.58 0.00 0.00 1.02 0.00 0.00 30.24 29.81 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 1.28 0.74 3.74 1.08 0.00 0.51 -5.04 105.19 107.50 2wqt n GLY 53 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 4.38 -0.28 1.61 3.52 -0.80 -4.99 118.95 121.91 2wqt s ARG 54 Ca 0.00 2.08 -0.10 0.00 -0.13 0.00 0.00 55.73 57.58 2wqt s ARG 54 Cb 0.00 -3.18 -0.04 0.00 -1.56 0.00 0.00 34.95 30.18 2wqt s ARG 54 CO 0.00 -0.25 0.16 0.50 -0.81 0.00 0.00 175.30 174.90 2wqt s ARG 55 N -0.30 3.76 0.11 5.12 3.52 -1.26 -4.29 118.95 125.61 2wqt s ARG 55 Ca 0.56 -0.44 -0.31 0.00 -0.13 0.00 0.00 55.73 55.41 2wqt s ARG 55 Cb -0.37 -3.59 -0.08 0.00 -1.56 0.00 0.00 34.95 29.36 2wqt s ARG 55 CO 0.40 -0.24 1.35 0.08 -0.81 0.00 0.00 175.30 176.08 2wqt s VAL 56 N 1.70 3.41 -0.10 7.11 1.01 -1.26 -0.87 120.40 131.40 2wqt s VAL 56 Ca 0.06 1.03 0.03 0.00 0.00 0.00 0.00 61.98 63.10 2wqt s VAL 56 Cb -0.16 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 2wqt s VAL 56 CO 0.09 0.09 0.11 1.33 0.00 0.00 0.00 175.10 176.71 2wqt n VAL 57 N 3.84 0.00 -3.29 2.92 0.24 0.13 -4.85 118.33 117.32 2wqt n VAL 57 Ca 0.11 -0.33 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 2wqt n VAL 57 Cb 0.43 0.84 0.00 0.00 -1.47 0.00 0.00 33.84 33.64 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 1.43 -0.51 3.25 7.63 0.00 -1.21 -1.14 105.19 114.64 2wqt n GLY 58 Ca 0.00 -0.97 -0.14 0.00 0.00 0.00 0.00 46.02 44.91 2wqt n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wqt s ARG 59 N -1.59 1.09 -0.05 1.61 1.81 -0.80 -1.12 118.95 119.90 2wqt s ARG 59 Ca 0.00 -1.49 0.06 0.00 -1.72 0.00 0.00 55.73 52.58 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 0.01 -0.23 0.21 -0.68 0.00 0.00 175.30 174.62 2wqt s LYS 60 N -3.80 2.47 -0.18 3.54 2.36 -0.05 -1.54 119.74 122.54 2wqt s LYS 60 Ca 0.19 -0.86 -0.10 0.00 -2.55 0.00 0.00 55.97 52.66 2wqt s LYS 60 Cb 0.04 -2.20 -0.05 0.00 -1.05 0.00 0.00 37.83 34.57 2wqt s LYS 60 CO 0.02 0.47 0.14 0.08 1.55 0.00 0.00 175.35 177.60 2wqt s VAL 61 N -0.36 5.43 0.38 4.02 1.01 0.52 -1.28 120.40 130.12 2wqt s VAL 61 Ca 0.03 0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.26 2wqt s VAL 61 Cb -0.12 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 2wqt s VAL 61 CO 0.02 0.48 0.05 -0.83 0.00 0.00 0.00 175.10 174.82 2wqt s GLY 62 N 0.07 2.40 -1.17 4.51 0.00 -0.57 -3.42 107.32 109.15 2wqt s GLY 62 Ca 0.10 -1.74 -0.20 0.00 0.00 0.00 0.00 44.72 42.88 2wqt s GLY 62 CO -0.00 -1.93 0.76 1.04 0.00 0.00 0.00 173.10 172.96 2wqt n LEU 63 N -0.87 -2.64 0.00 0.66 4.77 -1.26 -1.56 117.00 116.11 2wqt n LEU 63 Ca -0.06 -1.03 0.10 0.00 -0.03 0.00 0.00 56.01 54.99 2wqt n LEU 63 Cb 0.66 -2.33 -0.06 0.00 -2.33 0.00 0.00 43.42 39.36 2wqt n LEU 63 CO 0.42 0.49 0.01 0.35 -1.33 0.00 0.00 177.39 177.33 2wqt n THR 64 N -4.26 0.00 -3.10 -5.08 -2.24 -1.26 -4.16 114.28 94.18 2wqt n THR 64 Ca -0.11 -0.02 -0.40 0.00 -2.27 0.00 0.00 64.05 61.25 2wqt n THR 64 Cb 0.60 0.85 -0.06 0.00 -2.10 0.00 0.00 70.33 69.62 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 -3.02 3.36 0.58 4.78 3.76 -1.26 -2.17 115.29 121.33 2wqt s HIS 65 Ca 0.08 0.92 0.38 0.00 -0.15 0.00 0.00 55.06 56.29 2wqt s HIS 65 Cb 0.16 -2.82 2.09 0.00 1.11 0.00 0.00 32.58 33.12 2wqt s HIS 65 CO 0.84 -0.21 2.29 -1.35 -0.85 0.00 0.00 174.74 175.46 2wqt h PRO 66 N 7.56 0.00 0.91 8.40 0.11 -1.89 -1.48 132.00 145.62 2wqt h PRO 66 Ca -0.30 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.76 2wqt h PRO 66 Cb 1.14 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.26 2wqt h PRO 66 CO 0.78 0.01 -0.44 0.87 -0.21 0.00 0.00 178.00 179.01 2wqt h LYS 67 N 0.00 -1.18 -0.67 1.05 1.57 -1.98 -2.53 116.57 112.83 2wqt h LYS 67 Ca -0.00 0.08 0.09 0.00 -1.87 0.00 0.00 60.65 58.96 2wqt h LYS 67 Cb 0.07 0.27 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 2wqt h LYS 67 CO 0.00 -0.79 0.45 0.28 -0.57 0.00 0.00 179.45 178.82 2wqt h VAL 68 N -1.25 0.92 -0.13 0.50 2.07 -1.81 -1.71 116.25 114.84 2wqt h VAL 68 Ca -0.13 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 2wqt h VAL 68 Cb 0.94 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2wqt h VAL 68 CO 0.21 0.10 0.08 1.56 0.02 0.00 0.00 177.57 179.53 2wqt h GLN 69 N 0.54 0.18 0.02 1.57 4.20 -1.30 -2.93 115.11 117.38 2wqt h GLN 69 Ca 0.31 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 59.00 2wqt h GLN 69 Cb 0.49 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.23 2wqt h GLN 69 CO -0.10 0.17 -0.01 1.96 -0.67 0.00 0.00 178.83 180.18 2wqt h GLN 70 N 0.14 -0.02 0.00 1.46 1.08 -0.97 -0.80 115.11 116.00 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 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 2wqt h GLN 70 CO -0.01 0.22 0.02 0.94 -0.95 0.00 0.00 178.83 179.06 2wqt n GLN 71 N -4.99 0.00 0.00 1.46 7.27 -0.69 -1.11 117.38 119.32 2wqt n GLN 71 Ca -0.08 0.12 0.00 0.00 0.07 0.00 0.00 57.00 57.12 2wqt n GLN 71 Cb 0.14 -1.52 0.00 0.00 2.41 0.00 0.00 30.24 31.27 2wqt n GLN 71 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2wqt n LEU 72 N -1.07 0.72 0.00 1.69 4.32 -1.01 -5.04 117.00 116.61 2wqt n LEU 72 Ca 0.00 -0.72 0.00 0.00 -0.02 0.00 0.00 56.01 55.27 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 0.18 0.00 0.61 -1.22 0.00 0.00 177.39 176.96 2wqt n GLY 73 N -0.12 0.68 3.34 -0.72 0.00 -0.27 -4.24 105.19 103.85 2wqt n GLY 73 Ca 0.00 -0.26 -0.17 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 0.88 0.00 1.61 -7.23 -0.35 -5.01 120.40 108.29 2wqt s VAL 74 Ca 0.00 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 2wqt s VAL 74 Cb 0.00 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.45 2wqt s VAL 74 CO 0.00 -0.18 0.86 -0.90 -0.31 0.00 0.00 175.10 174.57 2wqt n ASP 75 N -0.46 1.64 -4.72 4.85 5.68 -1.26 -3.67 116.55 118.61 2wqt n ASP 75 Ca -0.03 -1.74 -0.30 0.00 -0.50 0.00 0.00 54.79 52.23 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 -0.74 2.66 0.00 0.11 -1.52 -1.26 -5.13 119.66 113.79 2wqt s GLN 76 Ca 0.00 -0.81 0.00 0.00 -1.95 0.00 0.00 55.36 52.60 2wqt s GLN 76 Cb 0.00 -2.60 0.00 0.00 -0.22 0.00 0.00 33.01 30.19 2wqt s GLN 76 CO 0.00 0.54 0.00 -0.35 -0.25 0.00 0.00 175.29 175.23 2wqt n PRO 77 N 0.45 2.36 -3.85 2.91 -0.04 -1.26 -4.94 135.00 130.63 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 0.52 0.00 -0.10 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 -0.03 0.04 3.54 3.68 -0.60 -4.97 116.67 117.33 2wqt s ASP 78 Ca 0.00 -0.07 0.03 0.00 2.13 0.00 0.00 52.55 54.63 2wqt s ASP 78 Cb 0.00 0.25 -0.02 0.00 -1.45 0.00 0.00 42.92 41.69 2wqt s ASP 78 CO 0.00 -0.32 -0.09 0.72 0.13 0.00 0.00 175.17 175.62 2wqt s PHE 79 N -1.09 0.76 0.24 -5.34 -0.71 -1.26 -1.51 117.98 109.07 2wqt s PHE 79 Ca -0.12 -0.44 0.03 0.00 -1.04 0.00 0.00 56.93 55.37 2wqt s PHE 79 Cb -0.06 -0.45 -0.05 0.00 -1.21 0.00 0.00 43.02 41.24 2wqt s PHE 79 CO 0.02 -0.05 0.02 0.20 -1.34 0.00 0.00 175.22 174.06 2wqt s GLY 80 N -1.40 1.59 -0.14 1.99 0.00 -0.40 -4.39 107.32 104.57 2wqt s GLY 80 Ca -0.07 -1.79 -0.04 0.00 0.00 0.00 0.00 44.72 42.82 2wqt s GLY 80 CO 0.01 -1.66 0.01 -1.59 0.00 0.00 0.00 173.10 169.88 2wqt s THR 81 N -3.48 4.38 -0.14 0.90 2.01 -1.26 -0.87 115.64 117.19 2wqt s THR 81 Ca 0.30 -0.20 -0.05 0.00 0.31 0.00 0.00 61.69 62.05 2wqt s THR 81 Cb 0.06 -2.91 -0.04 0.00 0.01 0.00 0.00 72.50 69.63 2wqt s THR 81 CO 0.09 0.53 0.06 -0.76 -0.69 0.00 0.00 174.62 173.86 2wqt s LEU 82 N -0.17 3.87 0.11 4.42 1.43 -0.27 -4.91 118.68 123.15 2wqt s LEU 82 Ca 0.05 0.19 0.07 0.00 -1.03 0.00 0.00 54.13 53.41 2wqt s LEU 82 Cb -0.12 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 2wqt s LEU 82 CO 0.02 0.30 -0.07 -0.36 0.23 0.00 0.00 176.35 176.46 2wqt s PHE 83 N -0.37 2.79 0.29 0.29 0.08 -1.26 -0.70 117.98 119.10 2wqt s PHE 83 Ca 0.09 -0.13 0.03 0.00 0.12 0.00 0.00 56.93 57.04 2wqt s PHE 83 Cb -0.12 -1.44 0.69 0.00 -0.57 0.00 0.00 43.02 41.58 2wqt s PHE 83 CO 0.02 0.45 1.70 0.00 -0.10 0.00 0.00 175.22 177.29 2wqt h ALA 84 N 3.49 1.39 0.00 5.36 0.00 -1.33 0.05 119.26 128.21 2wqt h ALA 84 Ca -0.48 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2wqt h ALA 84 Cb 1.17 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2wqt h ALA 84 CO 0.54 -0.32 0.00 -0.40 0.00 0.00 0.00 179.25 179.07 2wqt n ASP 85 N -5.04 0.00 -0.01 0.00 5.75 -1.26 -1.94 116.55 114.05 2wqt n ASP 85 Ca 0.21 0.41 0.14 0.00 -0.01 0.00 0.00 54.79 55.54 2wqt n ASP 85 Cb 0.62 -0.45 0.61 0.00 -1.03 0.00 0.00 41.12 40.87 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 0.14 -3.24 0.11 2.81 0.00 -4.84 117.12 110.64 2wqt n MET 86 Ca 0.04 -0.02 -0.41 0.00 -1.81 0.00 0.00 57.70 55.51 2wqt n MET 86 Cb 0.14 -1.50 -0.08 0.00 -0.71 0.00 0.00 33.22 31.08 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 2.36 3.33 0.66 0.00 2.02 0.47 -4.99 117.35 121.20 2wqt s TYR 88 Ca 0.20 0.23 -0.11 0.00 -0.37 0.00 0.00 57.07 57.02 2wqt s TYR 88 Cb -0.15 -1.75 -0.01 0.00 -0.40 0.00 0.00 41.96 39.64 2wqt s TYR 88 CO 0.11 0.57 1.06 0.20 -1.57 0.00 0.00 175.55 175.92 2wqt s GLY 89 N -1.74 1.64 0.21 0.71 0.00 -1.26 -1.93 107.32 104.94 2wqt s GLY 89 Ca 0.23 -0.26 -0.32 0.00 0.00 0.00 0.00 44.72 44.37 2wqt s GLY 89 CO 0.14 0.06 1.37 1.34 0.00 0.00 0.00 173.10 176.02 2wqt n ASP 90 N -2.88 2.46 -2.45 1.64 4.64 -0.39 -2.74 116.55 116.84 2wqt n ASP 90 Ca 0.06 1.13 -0.18 0.00 -1.38 0.00 0.00 54.79 54.43 2wqt n ASP 90 Cb 0.56 -1.37 0.03 0.00 -1.04 0.00 0.00 41.12 39.29 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 2.28 -5.24 -4.88 1.67 4.05 0.30 -4.96 115.26 108.49 2wqt n ASN 91 Ca 0.13 -0.22 -0.21 0.00 0.45 0.00 0.00 54.58 54.73 2wqt n ASN 91 Cb 0.29 -4.09 0.06 0.00 1.23 0.00 0.00 39.78 37.27 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 -5.45 2.21 -0.23 1.20 2.12 -1.11 -4.89 118.70 112.56 2wqt s GLU 92 Ca 0.24 -1.11 -0.08 0.00 0.36 0.00 0.00 54.97 54.37 2wqt s GLU 92 Cb -0.10 -2.49 -0.04 0.00 0.26 0.00 0.00 34.13 31.76 2wqt s GLU 92 CO 0.29 -0.96 0.10 0.42 -0.54 0.00 0.00 175.26 174.57 2wqt s ILE 93 N -2.84 4.77 -0.20 -3.70 1.01 -1.26 -2.31 121.20 116.67 2wqt s ILE 93 Ca 0.61 -0.02 -0.09 0.00 0.00 0.00 0.00 60.65 61.15 2wqt s ILE 93 Cb -0.08 -3.21 -0.05 0.00 0.01 0.00 0.00 42.46 39.14 2wqt s ILE 93 CO 0.40 0.37 0.10 -0.63 0.00 0.00 0.00 174.94 175.19 2wqt s ILE 94 N 1.10 5.09 0.14 2.92 1.01 0.12 -4.94 121.20 126.64 2wqt s ILE 94 Ca 0.05 0.08 -0.31 0.00 0.00 0.00 0.00 60.65 60.46 2wqt s ILE 94 Cb -0.14 -3.32 -0.10 0.00 0.01 0.00 0.00 42.46 38.90 2wqt s ILE 94 CO 0.04 0.42 1.70 -2.84 0.00 0.00 0.00 174.94 174.26 2wqt s PRO 95 N 0.57 4.17 0.43 2.79 0.02 -1.26 -0.99 135.00 140.73 2wqt s PRO 95 Ca 0.06 2.48 0.11 0.00 0.02 0.00 0.00 61.00 63.67 2wqt s PRO 95 Cb -0.12 -3.36 0.96 0.00 0.02 0.00 0.00 34.50 32.00 2wqt s PRO 95 CO 0.01 -0.74 2.04 0.35 -0.33 0.00 0.00 177.00 178.32 2wqt h PHE 96 N 7.67 0.44 0.00 6.54 3.57 -1.90 -1.85 116.94 131.40 2wqt h PHE 96 Ca -0.44 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.07 2wqt h PHE 96 Cb 1.21 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.80 2wqt h PHE 96 CO 0.72 0.25 0.00 -1.13 -2.23 0.00 0.00 178.31 175.92 2wqt n SER 97 N -4.48 0.60 -0.18 0.41 3.41 -1.26 -3.82 113.62 108.30 2wqt n SER 97 Ca 0.05 0.59 -0.04 0.00 -0.26 0.00 0.00 58.87 59.22 2wqt n SER 97 Cb 0.18 -0.74 0.06 0.00 -0.26 0.00 0.00 64.21 63.46 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 0.50 -5.18 4.33 9.65 -1.71 -3.42 114.38 118.55 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 0.55 -0.11 -0.26 0.00 -1.39 0.00 0.00 29.97 28.75 2wqt h ARG 98 CO 0.00 0.33 -0.73 0.08 2.80 0.00 0.00 179.97 182.45 2wqt s VAL 99 N -6.12 3.36 -0.12 0.20 1.01 -1.25 -5.06 120.40 112.43 2wqt s VAL 99 Ca -0.13 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 2wqt s VAL 99 Cb 0.14 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 2wqt s VAL 99 CO 0.74 0.48 1.06 -0.22 0.00 0.00 0.00 175.10 177.15 2wqt s LEU 100 N 0.82 4.23 -1.03 3.92 2.96 -1.26 -3.93 118.68 124.38 2wqt s LEU 100 Ca -0.02 1.57 -0.12 0.00 -0.22 0.00 0.00 54.13 55.33 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 -0.52 0.81 0.00 -1.32 0.00 0.00 176.35 175.34 2wqt n GLN 101 N 5.30 -1.58 -2.74 1.98 6.02 -1.26 -1.31 117.38 123.79 2wqt n GLN 101 Ca 0.10 0.75 -0.36 0.00 -0.01 0.00 0.00 57.00 57.48 2wqt n GLN 101 Cb 0.48 -4.79 -0.06 0.00 1.02 0.00 0.00 30.24 26.89 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 -4.99 4.46 0.02 -1.09 0.04 -1.25 -4.02 135.00 128.17 2wqt s PRO 102 Ca 0.38 1.34 0.01 0.00 0.04 0.00 0.00 61.00 62.76 2wqt s PRO 102 Cb -0.10 -2.67 -0.01 0.00 0.04 0.00 0.00 34.50 31.75 2wqt s PRO 102 CO 0.81 0.16 -0.04 1.03 0.04 0.00 0.00 177.00 179.00 2wqt s ARG 103 N -2.28 0.31 0.10 4.56 3.00 -0.22 -1.47 118.95 122.95 2wqt s ARG 103 Ca 0.53 -0.43 0.06 0.00 0.00 0.00 0.00 55.73 55.89 2wqt s ARG 103 Cb -0.18 -0.12 -0.04 0.00 0.00 0.00 0.00 34.95 34.61 2wqt s ARG 103 CO 0.23 0.02 -0.03 0.96 0.00 0.00 0.00 175.30 176.47 2wqt s ILE 104 N -0.85 3.79 0.03 1.52 -5.25 -0.62 0.43 121.20 120.26 2wqt s ILE 104 Ca -0.07 -1.10 -0.00 0.00 -0.99 0.00 0.00 60.65 58.48 2wqt s ILE 104 Cb -0.06 -2.80 -0.02 0.00 2.95 0.00 0.00 42.46 42.52 2wqt s ILE 104 CO -0.00 0.11 -0.03 -1.83 -1.79 0.00 0.00 174.94 171.40 2wqt s GLU 105 N -2.30 0.39 0.10 0.37 -1.05 -0.39 -1.73 118.70 114.10 2wqt s GLU 105 Ca 0.24 -0.76 -0.20 0.00 -0.15 0.00 0.00 54.97 54.11 2wqt s GLU 105 Cb -0.11 0.14 -0.07 0.00 -0.44 0.00 0.00 34.13 33.64 2wqt s GLU 105 CO 0.17 -0.07 0.60 0.00 0.95 0.00 0.00 175.26 176.91 2wqt s ALA 106 N -2.08 3.56 0.11 -0.84 0.00 -1.26 -0.56 121.76 120.69 2wqt s ALA 106 Ca -0.10 0.07 -0.04 0.00 0.00 0.00 0.00 51.96 51.88 2wqt s ALA 106 Cb -0.05 -2.67 -0.02 0.00 0.00 0.00 0.00 23.12 20.37 2wqt s ALA 106 CO -0.03 0.39 0.11 -1.21 0.00 0.00 0.00 175.76 175.02 2wqt s GLU 107 N -1.25 0.88 -0.22 0.00 2.02 0.20 -1.11 118.70 119.21 2wqt s GLU 107 Ca 0.32 -1.22 -0.11 0.00 0.02 0.00 0.00 54.97 53.98 2wqt s GLU 107 Cb -0.19 0.29 -0.05 0.00 0.10 0.00 0.00 34.13 34.27 2wqt s GLU 107 CO 0.20 -0.26 0.17 0.42 0.02 0.00 0.00 175.26 175.81 2wqt s ILE 108 N -3.96 5.37 -0.06 -1.63 1.01 -1.26 -0.78 121.20 119.90 2wqt s ILE 108 Ca 0.14 0.23 -0.03 0.00 0.00 0.00 0.00 60.65 60.99 2wqt s ILE 108 Cb 0.06 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 2wqt s ILE 108 CO -0.04 0.38 0.09 0.00 0.00 0.00 0.00 174.94 175.36 2wqt s ALA 109 N 0.77 3.62 0.00 9.38 0.00 0.52 -1.83 121.76 134.22 2wqt s ALA 109 Ca 0.09 -0.78 0.08 0.00 0.00 0.00 0.00 51.96 51.35 2wqt s ALA 109 Cb -0.13 -1.69 -0.02 0.00 0.00 0.00 0.00 23.12 21.29 2wqt s ALA 109 CO 0.02 0.65 -0.25 -0.51 0.00 0.00 0.00 175.76 175.67 2wqt s LEU 110 N -1.34 2.09 -0.04 0.00 1.43 0.05 -1.10 118.68 119.76 2wqt s LEU 110 Ca 0.19 -0.49 0.05 0.00 -1.03 0.00 0.00 54.13 52.84 2wqt s LEU 110 Cb -0.12 -1.26 -0.02 0.00 0.03 0.00 0.00 46.19 44.82 2wqt s LEU 110 CO 0.09 0.28 -0.17 -0.69 0.23 0.00 0.00 176.35 176.09 2wqt s VAL 111 N -0.65 2.80 -0.10 -1.59 1.01 -0.30 -0.40 120.40 121.18 2wqt s VAL 111 Ca 0.10 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 2wqt s VAL 111 Cb -0.10 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 2wqt s VAL 111 CO -0.00 0.59 0.10 -0.76 0.00 0.00 0.00 175.10 175.03 2wqt s LEU 112 N -0.68 4.16 0.34 3.92 1.43 -0.97 0.43 118.68 127.31 2wqt s LEU 112 Ca 0.11 0.37 0.17 0.00 -1.03 0.00 0.00 54.13 53.74 2wqt s LEU 112 Cb -0.11 -2.04 0.53 0.00 0.03 0.00 0.00 46.19 44.60 2wqt s LEU 112 CO 0.00 0.39 1.66 0.78 0.23 0.00 0.00 176.35 179.41 2wqt h ASN 113 N 4.92 0.00 -5.17 2.29 2.35 -0.78 -0.58 115.58 118.62 2wqt h ASN 113 Ca -0.53 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.17 2wqt h ASN 113 Cb 1.22 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 39.48 2wqt h ASN 113 CO 0.58 0.44 -0.10 0.00 -1.65 0.00 0.00 177.43 176.70 2wqt s ARG 114 N -3.47 1.37 0.58 0.81 3.03 -1.26 -4.67 118.95 115.33 2wqt s ARG 114 Ca 0.01 -1.04 -0.20 0.00 2.03 0.00 0.00 55.73 56.53 2wqt s ARG 114 Cb 0.11 0.47 -0.04 0.00 -1.03 0.00 0.00 34.95 34.46 2wqt s ARG 114 CO 0.71 -0.56 1.23 -0.51 -1.13 0.00 0.00 175.30 175.04 2wqt s ASP 115 N -2.93 5.24 -0.63 -2.89 1.01 -1.26 -3.49 116.67 111.71 2wqt s ASP 115 Ca 0.14 2.46 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 0.01 -1.57 0.45 -0.76 0.21 0.00 0.00 175.17 173.51 2wqt s LEU 116 N -3.92 4.02 0.35 1.23 1.43 -0.20 -4.90 118.68 116.70 2wqt s LEU 116 Ca 0.76 -3.64 0.19 0.00 -1.03 0.00 0.00 54.13 50.41 2wqt s LEU 116 Cb -0.32 -1.36 0.20 0.00 0.03 0.00 0.00 46.19 44.73 2wqt s LEU 116 CO 0.36 -0.11 1.51 1.55 0.23 0.00 0.00 176.35 179.89 2wqt h PRO 117 N 5.50 0.00 -6.27 1.29 0.13 -1.93 -3.36 132.00 127.36 2wqt h PRO 117 Ca 0.16 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.74 2wqt h PRO 117 Cb 0.79 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.90 2wqt h PRO 117 CO 0.64 0.23 0.70 0.00 -0.23 0.00 0.00 178.00 179.35 2wqt s ALA 118 N -3.09 3.51 -1.67 -0.56 0.00 -1.26 -4.82 121.76 113.87 2wqt s ALA 118 Ca 0.05 0.53 0.28 0.00 0.00 0.00 0.00 51.96 52.82 2wqt s ALA 118 Cb 0.06 -3.51 1.53 0.00 0.00 0.00 0.00 23.12 21.20 2wqt s ALA 118 CO 0.71 -0.80 2.00 0.25 0.00 0.00 0.00 175.76 177.92 2wqt n THR 119 N 4.74 0.06 -1.84 0.00 -2.24 -1.26 -2.90 114.28 110.84 2wqt n THR 119 Ca 0.11 0.02 0.05 0.00 -2.27 0.00 0.00 64.05 61.96 2wqt n THR 119 Cb 0.46 -0.56 0.15 0.00 -2.10 0.00 0.00 70.33 68.29 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 -1.16 1.51 -4.65 3.42 3.85 -1.26 -4.77 116.55 113.49 2wqt n ASP 120 Ca 0.17 -3.34 -0.44 0.00 -0.71 0.00 0.00 54.79 50.46 2wqt n ASP 120 Cb 0.17 -0.46 -0.02 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 -0.67 1.62 -3.91 2.12 3.06 -1.14 -4.99 119.36 115.45 2wqt n ILE 121 Ca 0.15 -0.41 -0.21 0.00 -2.50 0.00 0.00 62.75 59.79 2wqt n ILE 121 Cb 0.81 -1.30 -0.02 0.00 0.54 0.00 0.00 39.64 39.68 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 -0.73 5.05 0.24 9.51 -4.23 -1.26 -4.97 115.64 119.24 2wqt s THR 122 Ca 0.61 -1.01 -0.07 0.00 -1.18 0.00 0.00 61.69 60.04 2wqt s THR 122 Cb -0.66 -3.77 0.24 0.00 1.34 0.00 0.00 72.50 69.65 2wqt s THR 122 CO 0.57 -0.31 1.66 0.15 -0.54 0.00 0.00 174.62 176.16 2wqt h PHE 123 N 1.15 0.09 -0.22 3.99 3.57 -1.94 -1.30 116.94 122.27 2wqt h PHE 123 Ca -0.51 0.05 -0.10 0.00 3.53 0.00 0.00 57.97 60.94 2wqt h PHE 123 Cb 1.23 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 40.03 2wqt h PHE 123 CO 0.45 -0.16 -0.28 0.38 -2.23 0.00 0.00 178.31 176.47 2wqt h ASP 124 N 0.17 0.44 -0.03 0.41 2.03 -2.00 -2.80 116.42 114.65 2wqt h ASP 124 Ca 0.39 -0.16 -0.11 0.00 -0.73 0.00 0.00 57.03 56.42 2wqt h ASP 124 Cb 0.67 -0.12 -0.01 0.00 -0.83 0.00 0.00 39.33 39.04 2wqt h ASP 124 CO -0.56 0.72 -0.33 -0.33 -1.03 0.00 0.00 179.24 177.70 2wqt h GLU 125 N 0.38 0.50 -0.53 4.15 5.08 -1.67 -2.82 114.58 119.67 2wqt h GLU 125 Ca 0.05 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.12 2wqt h GLU 125 Cb 0.70 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 2wqt h GLU 125 CO 0.05 0.77 0.03 1.25 -1.00 0.00 0.00 179.01 180.11 2wqt h LEU 126 N 0.43 0.84 -0.61 1.33 5.85 -1.14 -2.89 115.31 119.11 2wqt h LEU 126 Ca 0.05 -0.20 0.12 0.00 0.84 0.00 0.00 57.88 58.69 2wqt h LEU 126 Cb 0.79 -0.22 -0.10 0.00 0.37 0.00 0.00 40.66 41.50 2wqt h LEU 126 CO 0.06 0.89 0.06 1.88 -0.34 0.00 0.00 178.44 180.99 2wqt h TYR 127 N 0.82 0.07 0.00 1.25 0.05 -1.24 0.12 116.97 118.04 2wqt h TYR 127 Ca 0.16 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.98 2wqt h TYR 127 Cb 0.45 0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.25 2wqt h TYR 127 CO 0.03 -0.11 0.00 -1.71 -1.05 0.00 0.00 178.16 175.32 2wqt n ASN 128 N -5.21 0.42 -0.27 3.88 2.85 -1.10 -2.71 115.26 113.12 2wqt n ASN 128 Ca 0.09 0.63 0.11 0.00 -0.11 0.00 0.00 54.58 55.30 2wqt n ASN 128 Cb 0.35 -0.71 0.06 0.00 1.24 0.00 0.00 39.78 40.72 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 -1.68 3.81 -2.67 5.20 0.00 0.40 -4.89 120.51 120.69 2wqt n ALA 129 Ca 0.02 -0.56 -0.42 0.00 0.00 0.00 0.00 53.44 52.48 2wqt n ALA 129 Cb 0.15 -0.88 -0.04 0.00 0.00 0.00 0.00 19.45 18.69 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 4.86 -0.20 0.00 1.01 -1.10 -0.07 121.20 123.02 2wqt s ILE 130 Ca 0.16 1.67 -0.20 0.00 0.00 0.00 0.00 60.65 62.28 2wqt s ILE 130 Cb 0.18 -4.16 -0.17 0.00 0.01 0.00 0.00 42.46 38.32 2wqt s ILE 130 CO 0.66 -0.00 0.18 -0.08 0.00 0.00 0.00 174.94 175.69 2wqt h GLU 131 N 7.38 0.00 -4.69 2.79 4.81 -0.31 -3.44 114.58 121.12 2wqt h GLU 131 Ca -0.28 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.62 2wqt h GLU 131 Cb 1.12 0.00 -0.24 0.00 0.63 0.00 0.00 28.75 30.26 2wqt h GLU 131 CO 0.85 0.88 -0.76 -1.58 -0.73 0.00 0.00 179.01 177.67 2wqt s TRP 132 N -2.34 0.76 -0.11 0.92 0.52 -1.09 -4.57 118.94 113.03 2wqt s TRP 132 Ca -0.27 -0.33 0.03 0.00 0.02 0.00 0.00 56.10 55.56 2wqt s TRP 132 Cb 0.05 -0.46 0.00 0.00 -1.15 0.00 0.00 33.47 31.91 2wqt s TRP 132 CO 0.55 -0.03 -0.23 0.54 0.02 0.00 0.00 176.95 177.80 2wqt s VAL 133 N -0.84 2.15 0.05 4.03 0.11 0.11 -1.14 120.40 124.87 2wqt s VAL 133 Ca -0.03 -0.98 0.00 0.00 -2.93 0.00 0.00 61.98 58.05 2wqt s VAL 133 Cb -0.07 -1.84 -0.03 0.00 -1.53 0.00 0.00 36.38 32.91 2wqt s VAL 133 CO 0.00 0.55 -0.05 -1.48 -3.33 0.00 0.00 175.10 170.80 2wqt s LEU 134 N 0.44 2.38 0.32 2.54 2.34 -0.26 -1.76 118.68 124.67 2wqt s LEU 134 Ca -0.16 -0.78 -0.27 0.00 0.06 0.00 0.00 54.13 52.98 2wqt s LEU 134 Cb -0.17 0.04 -0.10 0.00 -0.56 0.00 0.00 46.19 45.41 2wqt s LEU 134 CO 0.07 -0.41 0.97 -2.16 -1.06 0.00 0.00 176.35 173.75 2wqt s PRO 135 N -2.79 4.57 0.05 1.48 0.04 -1.26 -0.36 135.00 136.73 2wqt s PRO 135 Ca -0.01 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.46 2wqt s PRO 135 Cb -0.01 -2.88 -0.03 0.00 0.04 0.00 0.00 34.50 31.62 2wqt s PRO 135 CO -0.04 0.25 -0.05 0.00 0.04 0.00 0.00 177.00 177.20 2wqt s ALA 136 N -1.51 0.51 -0.08 8.56 0.00 0.04 -0.95 121.76 128.33 2wqt s ALA 136 Ca 0.49 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.49 2wqt s ALA 136 Cb -0.22 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 2wqt s ALA 136 CO 0.27 -0.21 -0.09 -0.51 0.00 0.00 0.00 175.76 175.22 2wqt s LEU 137 N -2.27 3.01 -0.19 0.00 1.43 -0.11 -0.63 118.68 119.92 2wqt s LEU 137 Ca -0.02 -0.11 -0.03 0.00 -1.03 0.00 0.00 54.13 52.95 2wqt s LEU 137 Cb -0.01 -1.65 -0.01 0.00 0.03 0.00 0.00 46.19 44.55 2wqt s LEU 137 CO -0.04 0.32 -0.08 -0.70 0.23 0.00 0.00 176.35 176.08 2wqt s GLU 138 N -0.58 3.35 -0.70 1.70 2.12 0.27 -0.81 118.70 124.06 2wqt s GLU 138 Ca 0.08 -0.65 -0.19 0.00 0.36 0.00 0.00 54.97 54.57 2wqt s GLU 138 Cb -0.12 -2.88 0.11 0.00 0.26 0.00 0.00 34.13 31.51 2wqt s GLU 138 CO 0.02 -0.10 0.85 0.08 -0.54 0.00 0.00 175.26 175.57 2wqt s VAL 139 N 1.18 4.78 0.50 3.70 1.01 0.08 -1.26 120.40 130.40 2wqt s VAL 139 Ca 0.02 -1.14 -0.16 0.00 0.00 0.00 0.00 61.98 60.69 2wqt s VAL 139 Cb -0.14 -4.59 -0.08 0.00 0.00 0.00 0.00 36.38 31.57 2wqt s VAL 139 CO -0.02 -1.26 0.97 0.68 0.00 0.00 0.00 175.10 175.46 2wqt s VAL 140 N 2.71 4.54 0.07 2.92 -7.23 0.17 -1.75 120.40 121.83 2wqt s VAL 140 Ca 0.19 1.20 -0.03 0.00 -1.81 0.00 0.00 61.98 61.53 2wqt s VAL 140 Cb -0.17 -3.71 -0.03 0.00 0.56 0.00 0.00 36.38 33.03 2wqt s VAL 140 CO 0.02 -0.65 0.04 -0.83 -0.31 0.00 0.00 175.10 173.37 2wqt s GLY 141 N -3.01 0.44 -0.07 2.32 0.00 -0.42 -1.05 107.32 105.53 2wqt s GLY 141 Ca 0.59 -1.10 0.03 0.00 0.00 0.00 0.00 44.72 44.24 2wqt s GLY 141 CO 0.30 -1.19 -0.15 -0.45 0.00 0.00 0.00 173.10 171.61 2wqt s SER 142 N -2.92 2.03 0.00 1.64 0.15 -0.43 -4.21 113.70 109.96 2wqt s SER 142 Ca 0.09 -0.35 0.28 0.00 0.70 0.00 0.00 55.95 56.67 2wqt s SER 142 Cb 0.07 -0.94 1.24 0.00 -1.71 0.00 0.00 66.02 64.68 2wqt s SER 142 CO -0.09 0.06 1.84 0.54 1.20 0.00 0.00 173.24 176.80 2wqt n ARG 143 N 3.76 1.48 -4.24 5.44 3.00 -1.26 -4.52 116.66 120.32 2wqt n ARG 143 Ca -0.22 -0.70 -0.34 0.00 -0.01 0.00 0.00 57.85 56.58 2wqt n ARG 143 Cb 0.52 -1.47 -0.11 0.00 0.00 0.00 0.00 32.46 31.41 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 -1.98 4.34 -0.13 0.55 1.01 -1.26 -0.78 121.20 122.95 2wqt s ILE 144 Ca 0.39 -0.20 -0.32 0.00 0.00 0.00 0.00 60.65 60.52 2wqt s ILE 144 Cb 0.21 -2.91 -0.15 0.00 0.01 0.00 0.00 42.46 39.62 2wqt s ILE 144 CO 0.33 0.50 0.94 -1.14 0.00 0.00 0.00 174.94 175.57 2wqt n ARG 145 N 3.27 0.00 -3.03 2.79 0.63 0.29 -2.86 116.66 117.76 2wqt n ARG 145 Ca -0.17 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.57 2wqt n ARG 145 Cb 0.53 -1.11 -0.00 0.00 0.45 0.00 0.00 32.46 32.32 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 1.78 -3.60 -2.06 6.15 8.00 -1.26 -0.97 116.55 124.59 2wqt n ASP 146 Ca 0.18 -0.16 -0.10 0.00 0.71 0.00 0.00 54.79 55.42 2wqt n ASP 146 Cb 0.02 -3.02 -0.02 0.00 -0.02 0.00 0.00 41.12 38.08 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 -3.68 -1.16 -2.50 1.24 7.02 -1.13 -4.85 117.44 112.37 2wqt n TRP 147 Ca -0.05 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.03 2wqt n TRP 147 Cb 0.56 -2.41 -0.02 0.00 -2.42 0.00 0.00 31.31 27.02 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 -1.98 6.46 -0.07 -0.99 0.15 -0.14 -4.93 113.70 112.19 2wqt s SER 148 Ca 0.00 -1.91 0.04 0.00 0.70 0.00 0.00 55.95 54.78 2wqt s SER 148 Cb 0.00 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 2wqt s SER 148 CO 0.00 -1.55 -0.20 -0.51 1.20 0.00 0.00 173.24 172.18 2wqt s ILE 149 N 5.44 1.70 0.48 6.45 1.10 -1.26 -4.78 121.20 130.34 2wqt s ILE 149 Ca 0.53 -0.83 0.06 0.00 -0.51 0.00 0.00 60.65 59.91 2wqt s ILE 149 Cb 0.01 -1.48 0.00 0.00 0.15 0.00 0.00 42.46 41.15 2wqt s ILE 149 CO 0.01 0.48 0.35 -1.10 -2.11 0.00 0.00 174.94 172.57 2wqt s GLN 150 N 0.29 2.32 0.17 3.50 -1.52 -1.26 -4.98 119.66 118.19 2wqt s GLN 150 Ca -0.13 -1.86 -0.21 0.00 -1.95 0.00 0.00 55.36 51.22 2wqt s GLN 150 Cb -0.16 -2.15 0.10 0.00 -0.22 0.00 0.00 33.01 30.59 2wqt s GLN 150 CO 0.06 -0.40 1.61 0.35 -0.25 0.00 0.00 175.29 176.65 2wqt h PHE 151 N 0.96 -0.76 -0.34 0.91 3.57 -1.89 -0.71 116.94 118.68 2wqt h PHE 151 Ca -0.39 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.15 2wqt h PHE 151 Cb 1.28 0.40 -0.02 0.00 2.79 0.00 0.00 35.95 40.41 2wqt h PHE 151 CO 0.79 -0.35 0.16 -0.24 -2.23 0.00 0.00 178.31 176.43 2wqt h VAL 152 N -0.19 1.12 0.05 1.41 3.04 -1.92 -2.17 116.25 117.59 2wqt h VAL 152 Ca 0.20 -0.36 -0.00 0.00 -1.01 0.00 0.00 66.70 65.53 2wqt h VAL 152 Cb 0.51 0.70 0.00 0.00 -2.01 0.00 0.00 31.29 30.49 2wqt h VAL 152 CO -0.56 0.14 -0.02 0.44 -1.01 0.00 0.00 177.57 176.55 2wqt h ASP 153 N 0.47 -0.06 0.16 3.17 3.32 -1.53 -2.76 116.42 119.19 2wqt h ASP 153 Ca 0.12 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.86 2wqt h ASP 153 Cb 0.06 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2wqt h ASP 153 CO -0.02 0.28 -0.13 0.74 -1.72 0.00 0.00 179.24 178.40 2wqt h THR 154 N -0.41 0.72 -0.29 0.35 2.02 -1.22 -2.04 112.91 112.05 2wqt h THR 154 Ca -0.01 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.23 2wqt h THR 154 Cb 0.36 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.44 2wqt h THR 154 CO 0.01 0.00 -0.06 0.58 0.37 0.00 0.00 175.52 176.43 2wqt h VAL 155 N -0.29 0.73 -0.99 3.16 2.07 -1.46 0.26 116.25 119.72 2wqt h VAL 155 Ca -0.00 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.58 2wqt h VAL 155 Cb 0.27 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 30.67 2wqt h VAL 155 CO -0.01 0.00 0.64 0.00 0.02 0.00 0.00 177.57 178.22 2wqt h ALA 156 N 1.28 1.44 -0.19 1.67 0.00 -1.45 -2.02 119.26 119.99 2wqt h ALA 156 Ca 0.14 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 2wqt h ALA 156 Cb 0.21 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 2wqt h ALA 156 CO -0.28 0.40 0.15 -3.47 0.00 0.00 0.00 179.25 176.04 2wqt n ASP 157 N -4.51 4.35 -3.74 0.00 4.64 0.07 -3.75 116.55 113.60 2wqt n ASP 157 Ca 0.16 -2.48 -0.24 0.00 -1.38 0.00 0.00 54.79 50.85 2wqt n ASP 157 Cb 0.21 -0.81 0.04 0.00 -1.04 0.00 0.00 41.12 39.52 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 0.56 -2.77 -3.53 1.67 5.15 -0.76 -1.90 115.26 113.68 2wqt n ASN 158 Ca 0.12 -0.77 -0.26 0.00 -0.60 0.00 0.00 54.58 53.07 2wqt n ASN 158 Cb 0.64 -4.17 0.01 0.00 -0.53 0.00 0.00 39.78 35.73 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 -4.45 -1.12 -4.00 5.20 0.00 0.70 -1.82 120.51 115.02 2wqt n ALA 159 Ca -0.17 0.14 -0.30 0.00 0.00 0.00 0.00 53.44 53.11 2wqt n ALA 159 Cb 0.62 -3.47 -0.00 0.00 0.00 0.00 0.00 19.45 16.60 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 -2.50 -2.92 -4.78 0.00 7.64 -0.80 -4.89 113.62 105.38 2wqt n SER 160 Ca -0.01 -0.91 -0.36 0.00 1.01 0.00 0.00 58.87 58.60 2wqt n SER 160 Cb 0.54 -3.35 -0.03 0.00 -1.01 0.00 0.00 64.21 60.36 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 3.23 0.00 0.00 -1.00 -4.18 105.19 104.15 2wqt n GLY 162 Ca 0.06 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 0.04 1.61 -7.23 -0.71 -4.88 120.40 109.23 2wqt s VAL 163 Ca 0.00 -1.97 -0.02 0.00 -1.81 0.00 0.00 61.98 58.18 2wqt s VAL 163 Cb 0.00 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.42 2wqt s VAL 163 CO 0.00 0.00 0.01 -0.72 -0.31 0.00 0.00 175.10 174.08 2wqt s TYR 164 N -4.05 0.37 -0.01 2.82 1.13 -0.08 -0.74 117.35 116.79 2wqt s TYR 164 Ca 0.38 -0.80 0.04 0.00 -1.41 0.00 0.00 57.07 55.29 2wqt s TYR 164 Cb 0.06 -0.27 -0.01 0.00 -1.10 0.00 0.00 41.96 40.63 2wqt s TYR 164 CO 0.14 -0.34 -0.14 0.54 -2.51 0.00 0.00 175.55 173.24 2wqt s VAL 165 N -3.06 1.13 -0.08 -3.49 0.11 0.01 -0.40 120.40 114.63 2wqt s VAL 165 Ca -0.01 -0.61 0.02 0.00 -2.93 0.00 0.00 61.98 58.45 2wqt s VAL 165 Cb 0.02 -0.94 -0.02 0.00 -1.53 0.00 0.00 36.38 33.90 2wqt s VAL 165 CO -0.07 0.32 -0.13 -0.63 -3.33 0.00 0.00 175.10 171.27 2wqt s ILE 166 N -0.34 3.18 0.00 7.04 1.01 -0.81 -0.94 121.20 130.35 2wqt s ILE 166 Ca 0.05 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.04 2wqt s ILE 166 Cb -0.06 -2.28 0.00 0.00 0.01 0.00 0.00 42.46 40.13 2wqt s ILE 166 CO -0.01 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.12 2wqt n GLY 167 N 2.63 3.99 3.82 6.18 0.00 -0.13 -1.26 105.19 120.42 2wqt n GLY 167 Ca -0.18 -1.73 -0.05 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.00 0.70 -0.02 0.00 -1.05 -4.67 107.32 102.29 2wqt s GLY 168 Ca 0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 44.72 44.38 2wqt s GLY 168 CO 0.00 0.70 1.07 -4.14 0.00 0.00 0.00 173.10 170.73 2wqt s PRO 169 N -2.83 2.77 0.11 2.90 0.02 -1.25 -1.21 135.00 135.51 2wqt s PRO 169 Ca 0.16 1.07 -0.30 0.00 0.02 0.00 0.00 61.00 61.95 2wqt s PRO 169 Cb -0.03 -1.96 -0.06 0.00 0.02 0.00 0.00 34.50 32.46 2wqt s PRO 169 CO 0.05 -1.24 1.16 0.00 -0.33 0.00 0.00 177.00 176.64 2wqt s ALA 170 N -2.90 3.38 0.10 -1.55 0.00 -1.26 -4.64 121.76 114.89 2wqt s ALA 170 Ca 0.60 0.84 0.10 0.00 0.00 0.00 0.00 51.96 53.50 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 -0.34 -0.26 -0.65 0.00 0.00 0.00 175.76 175.03 2wqt s GLN 171 N 0.41 1.51 0.34 0.00 -1.52 -0.72 -4.98 119.66 114.70 2wqt s GLN 171 Ca 0.54 -1.25 -0.19 0.00 -1.95 0.00 0.00 55.36 52.52 2wqt s GLN 171 Cb -0.29 -1.87 -0.10 0.00 -0.22 0.00 0.00 33.01 30.52 2wqt s GLN 171 CO 0.32 0.46 0.83 1.03 -0.25 0.00 0.00 175.29 177.68 2wqt s ARG 172 N -1.76 4.18 0.35 2.91 1.81 -1.26 -0.71 118.95 124.47 2wqt s ARG 172 Ca 0.13 0.93 0.11 0.00 -1.72 0.00 0.00 55.73 55.17 2wqt s ARG 172 Cb -0.10 -2.45 0.65 0.00 -0.45 0.00 0.00 34.95 32.60 2wqt s ARG 172 CO 0.04 0.14 1.79 -1.00 -0.68 0.00 0.00 175.30 175.60 2wqt h PRO 173 N 2.41 0.06 -6.25 3.54 0.13 -1.85 -3.41 132.00 126.64 2wqt h PRO 173 Ca -0.48 -0.03 -0.62 0.00 -0.87 0.00 0.00 66.00 64.00 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 0.44 1.11 0.00 -0.23 0.00 0.00 178.00 179.96 2wqt n ALA 174 N -2.47 0.84 0.00 -0.56 0.00 -1.26 -1.54 120.51 115.52 2wqt n ALA 174 Ca -0.02 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2wqt n ALA 174 Cb 0.42 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.38 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 4.52 2.39 3.73 0.00 0.00 -1.26 -5.02 105.19 109.55 2wqt n GLY 175 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 4.42 -0.57 0.99 1.43 -0.59 -4.98 118.68 119.38 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 -3.61 0.05 0.00 0.03 0.00 0.00 46.19 42.67 2wqt s LEU 176 CO 0.00 -0.50 0.89 -0.62 0.23 0.00 0.00 176.35 176.36 2wqt s ASP 177 N 0.37 6.28 0.02 2.29 3.68 -1.26 -4.87 116.67 123.17 2wqt s ASP 177 Ca 0.56 -0.61 0.22 0.00 2.13 0.00 0.00 52.55 54.86 2wqt s ASP 177 Cb -0.35 -2.41 -0.06 0.00 -1.45 0.00 0.00 42.92 38.66 2wqt s ASP 177 CO 0.37 -1.22 0.95 0.18 0.13 0.00 0.00 175.17 175.58 2wqt n LEU 178 N 7.29 0.67 -0.07 -1.34 4.77 -1.26 -4.27 117.00 122.79 2wqt n LEU 178 Ca -0.01 -0.20 -0.20 0.00 -0.03 0.00 0.00 56.01 55.58 2wqt n LEU 178 Cb 0.47 -0.07 -0.12 0.00 -2.33 0.00 0.00 43.42 41.37 2wqt n LEU 178 CO 0.62 0.12 -0.27 0.50 -1.33 0.00 0.00 177.39 177.03 2wqt h LYS 179 N 0.00 0.05 -0.93 3.23 3.64 -1.92 -3.40 116.57 117.24 2wqt h LYS 179 Ca 0.00 -0.09 -0.58 0.00 -1.27 0.00 0.00 60.65 58.71 2wqt h LYS 179 Cb 0.65 0.03 -0.29 0.00 -0.41 0.00 0.00 32.23 32.21 2wqt h LYS 179 CO 0.00 1.04 0.59 0.09 -2.27 0.00 0.00 179.45 178.91 2wqt n ASN 180 N -4.36 5.93 -4.48 4.20 4.13 -1.26 -2.27 115.26 117.14 2wqt n ASN 180 Ca -0.25 -3.74 -0.43 0.00 1.68 0.00 0.00 54.58 51.84 2wqt n ASN 180 Cb 0.68 -0.86 -0.04 0.00 -1.54 0.00 0.00 39.78 38.02 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 3.84 3.58 -0.10 0.00 0.00 -1.26 -2.59 121.76 125.24 2wqt s ALA 182 Ca 0.24 1.28 0.03 0.00 0.00 0.00 0.00 51.96 53.51 2wqt s ALA 182 Cb -0.15 -3.53 -0.01 0.00 0.00 0.00 0.00 23.12 19.42 2wqt s ALA 182 CO 0.14 -0.69 -0.18 1.41 0.00 0.00 0.00 175.76 176.44 2wqt s MET 183 N -0.60 3.00 -0.10 0.00 0.00 0.39 -0.62 119.30 121.37 2wqt s MET 183 Ca 0.57 -0.77 0.03 0.00 0.00 0.00 0.00 55.69 55.51 2wqt s MET 183 Cb -0.40 -2.43 0.01 0.00 0.00 0.00 0.00 34.83 32.01 2wqt s MET 183 CO 0.44 0.31 -0.18 0.15 0.00 0.00 0.00 175.02 175.74 2wqt s LYS 184 N 0.05 2.46 -0.07 4.11 -0.14 -0.06 -2.19 119.74 123.90 2wqt s LYS 184 Ca -0.07 -0.67 0.02 0.00 -1.36 0.00 0.00 55.97 53.90 2wqt s LYS 184 Cb -0.15 -1.95 0.01 0.00 -1.68 0.00 0.00 37.83 34.06 2wqt s LYS 184 CO 0.05 0.06 -0.14 1.41 -0.76 0.00 0.00 175.35 175.97 2wqt s MET 185 N 0.63 1.86 0.06 1.68 1.75 0.35 -0.17 119.30 125.46 2wqt s MET 185 Ca -0.14 -0.47 0.07 0.00 -1.25 0.00 0.00 55.69 53.90 2wqt s MET 185 Cb -0.16 -1.51 -0.03 0.00 2.84 0.00 0.00 34.83 35.96 2wqt s MET 185 CO 0.04 0.05 -0.16 0.95 -0.65 0.00 0.00 175.02 175.25 2wqt s THR 186 N 0.62 2.96 -0.15 10.11 -4.23 -0.11 -0.11 115.64 124.72 2wqt s THR 186 Ca -0.15 -1.22 0.02 0.00 -1.18 0.00 0.00 61.69 59.16 2wqt s THR 186 Cb -0.16 -2.29 0.01 0.00 1.34 0.00 0.00 72.50 71.40 2wqt s THR 186 CO 0.04 0.27 -0.21 -0.60 -0.54 0.00 0.00 174.62 173.58 2wqt s ARG 187 N -1.67 2.99 -1.51 3.99 3.52 -0.01 -1.77 118.95 124.48 2wqt s ARG 187 Ca 0.16 -0.84 -0.09 0.00 -0.13 0.00 0.00 55.73 54.84 2wqt s ARG 187 Cb -0.11 -2.47 0.07 0.00 -1.56 0.00 0.00 34.95 30.88 2wqt s ARG 187 CO 0.07 -0.08 0.69 0.09 -0.81 0.00 0.00 175.30 175.26 2wqt n ASN 188 N 4.26 -2.32 0.00 -2.12 3.02 -0.29 -2.56 115.26 115.24 2wqt n ASN 188 Ca -0.20 -0.93 0.00 0.00 -0.03 0.00 0.00 54.58 53.41 2wqt n ASN 188 Cb 0.51 -3.28 0.00 0.00 -0.61 0.00 0.00 39.78 36.40 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 -2.86 0.00 -4.29 6.41 3.02 -1.26 -5.04 115.26 111.23 2wqt n ASN 189 Ca -0.12 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.16 2wqt n ASN 189 Cb 0.59 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.62 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 -0.11 1.49 0.16 3.52 -1.05 -1.06 -5.02 118.70 116.62 2wqt s GLU 190 Ca 0.00 -1.05 -0.31 0.00 -0.15 0.00 0.00 54.97 53.46 2wqt s GLU 190 Cb 0.00 -1.67 -0.09 0.00 -0.44 0.00 0.00 34.13 31.93 2wqt s GLU 190 CO 0.00 0.42 1.44 -2.00 0.95 0.00 0.00 175.26 176.07 2wqt s GLU 191 N -1.33 4.29 0.00 -4.83 2.12 -1.26 -0.83 118.70 116.86 2wqt s GLU 191 Ca 0.09 2.18 0.00 0.00 0.36 0.00 0.00 54.97 57.61 2wqt s GLU 191 Cb -0.09 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 31.10 2wqt s GLU 191 CO 0.02 -0.46 0.14 1.33 -0.54 0.00 0.00 175.26 175.76 2wqt n VAL 192 N 3.57 0.00 -3.55 3.70 0.24 0.84 -4.87 118.33 118.26 2wqt n VAL 192 Ca 0.11 -0.36 -0.16 0.00 -2.04 0.00 0.00 64.34 61.89 2wqt n VAL 192 Cb 0.41 1.11 -0.06 0.00 -1.47 0.00 0.00 33.84 33.83 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 -0.44 -0.63 0.19 -1.34 0.15 -0.96 -4.91 113.70 105.76 2wqt s SER 193 Ca 0.00 0.82 -0.13 0.00 0.70 0.00 0.00 55.95 57.35 2wqt s SER 193 Cb 0.00 0.70 0.01 0.00 -1.71 0.00 0.00 66.02 65.02 2wqt s SER 193 CO 0.00 -0.49 0.41 -0.94 1.20 0.00 0.00 173.24 173.43 2wqt s SER 194 N -0.82 -0.10 0.00 5.45 1.04 -1.26 -0.49 113.70 117.52 2wqt s SER 194 Ca -0.07 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.62 2wqt s SER 194 Cb -0.01 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2wqt s SER 194 CO 0.07 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 173.89 2wqt n GLY 195 N -0.30 -0.60 3.60 7.32 0.00 -0.93 -4.34 105.19 109.95 2wqt n GLY 195 Ca -0.07 -0.60 -0.10 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 -0.42 1.47 0.45 1.61 1.70 -1.05 -0.46 118.95 122.25 2wqt s ARG 196 Ca 0.00 -0.68 0.22 0.00 -0.47 0.00 0.00 55.73 54.80 2wqt s ARG 196 Cb 0.00 0.59 1.20 0.00 -0.57 0.00 0.00 34.95 36.17 2wqt s ARG 196 CO 0.00 -0.66 1.85 0.78 -1.08 0.00 0.00 175.30 176.19 2wqt h GLY 197 N 2.00 0.67 2.00 3.88 0.00 -1.43 -1.84 103.07 108.34 2wqt h GLY 197 Ca -0.28 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.92 2wqt h GLY 197 CO 0.32 -0.02 0.00 1.48 0.00 0.00 0.00 176.54 178.32 2wqt h SER 198 N 0.29 0.00 1.03 0.19 4.64 -1.64 -2.50 113.55 115.57 2wqt h SER 198 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 2wqt h SER 198 Cb 1.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 2wqt h SER 198 CO -0.14 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 175.49 2wqt h GLU 199 N 0.00 0.00 -3.52 4.77 5.08 -1.62 -2.42 114.58 116.87 2wqt h GLU 199 Ca 0.00 0.00 -0.80 0.00 -1.00 0.00 0.00 59.36 57.56 2wqt h GLU 199 Cb 0.39 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 29.37 2wqt h GLU 199 CO 0.00 0.00 0.66 0.00 -1.00 0.00 0.00 179.01 178.67 2wqt n LEU 201 N 2.66 -1.90 0.00 0.00 4.77 -0.92 -2.13 117.00 119.48 2wqt n LEU 201 Ca 0.26 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 2wqt n LEU 201 Cb 0.38 -2.40 0.00 0.00 -2.33 0.00 0.00 43.42 39.07 2wqt n LEU 201 CO 0.55 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 2wqt n GLY 202 N -1.27 2.77 3.65 -0.72 0.00 -0.91 -4.75 105.19 103.95 2wqt n GLY 202 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.01 -0.24 0.49 1.61 5.65 -0.91 -4.31 115.29 116.58 2wqt s HIS 203 Ca 0.00 0.49 0.25 0.00 0.25 0.00 0.00 55.06 56.05 2wqt s HIS 203 Cb 0.00 0.18 1.32 0.00 -1.18 0.00 0.00 32.58 32.90 2wqt s HIS 203 CO 0.00 -0.12 1.89 -1.35 -0.65 0.00 0.00 174.74 174.51 2wqt h PRO 204 N 5.23 0.15 0.00 2.88 0.11 -1.68 0.18 132.00 138.88 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 0.10 0.00 -0.07 -0.21 0.00 0.00 178.00 178.03 2wqt h LEU 205 N 0.16 0.00 -0.55 2.35 3.38 -1.93 -2.46 115.31 116.25 2wqt h LEU 205 Ca 0.42 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.29 2wqt h LEU 205 Cb 1.40 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.13 2wqt h LEU 205 CO -0.07 0.00 -0.03 0.78 0.09 0.00 0.00 178.44 179.21 2wqt h ASN 206 N 0.00 0.98 -0.66 -0.43 2.35 -0.93 0.61 115.58 117.50 2wqt h ASN 206 Ca 0.00 -0.32 -0.05 0.00 -0.55 0.00 0.00 56.30 55.38 2wqt h ASN 206 Cb 0.60 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.67 2wqt h ASN 206 CO 0.00 1.06 0.20 0.00 -1.65 0.00 0.00 177.43 177.05 2wqt h ALA 207 N 0.95 0.87 -0.69 -0.83 0.00 -1.49 0.34 119.26 118.42 2wqt h ALA 207 Ca 0.15 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2wqt h ALA 207 Cb 0.58 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2wqt h ALA 207 CO 0.03 0.55 0.14 0.00 0.00 0.00 0.00 179.25 179.97 2wqt h ALA 208 N 1.08 0.95 -0.02 0.00 0.00 -1.28 -0.83 119.26 119.16 2wqt h ALA 208 Ca 0.21 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2wqt h ALA 208 Cb 0.30 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2wqt h ALA 208 CO -0.01 0.67 0.00 0.28 0.00 0.00 0.00 179.25 180.19 2wqt h VAL 209 N 1.05 1.17 -0.56 0.00 2.07 -0.60 -0.35 116.25 119.04 2wqt h VAL 209 Ca 0.21 -0.51 0.10 0.00 0.82 0.00 0.00 66.70 67.32 2wqt h VAL 209 Cb 0.40 1.49 -0.08 0.00 -1.52 0.00 0.00 31.29 31.59 2wqt h VAL 209 CO 0.01 0.14 0.14 -0.25 0.02 0.00 0.00 177.57 177.62 2wqt h TRP 210 N -0.19 0.23 -0.13 1.57 7.01 -0.81 -1.86 115.95 121.77 2wqt h TRP 210 Ca 0.00 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.02 2wqt h TRP 210 Cb 0.22 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.26 2wqt h TRP 210 CO -0.00 0.01 0.03 1.25 -2.79 0.00 0.00 178.44 176.94 2wqt h LEU 211 N 0.28 0.20 -0.86 0.65 5.85 -0.99 -2.08 115.31 118.36 2wqt h LEU 211 Ca 0.29 -0.23 0.11 0.00 0.84 0.00 0.00 57.88 58.89 2wqt h LEU 211 Cb 0.39 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.29 2wqt h LEU 211 CO -0.35 0.37 0.49 0.00 -0.34 0.00 0.00 178.44 178.61 2wqt h ALA 212 N 0.83 1.26 0.14 1.25 0.00 -0.69 -0.44 119.26 121.61 2wqt h ALA 212 Ca 0.04 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2wqt h ALA 212 Cb 0.25 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2wqt h ALA 212 CO 0.00 0.07 -0.07 0.00 0.00 0.00 0.00 179.25 179.25 2wqt h ARG 213 N 0.78 -0.18 -0.32 0.00 3.08 -1.23 -2.10 114.38 114.42 2wqt h ARG 213 Ca 0.43 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.56 2wqt h ARG 213 Cb 0.46 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.47 2wqt h ARG 213 CO -0.28 0.15 -0.33 0.87 -1.07 0.00 0.00 179.97 179.31 2wqt h LYS 214 N -0.52 -0.29 -0.95 0.04 1.79 -0.91 -0.57 116.57 115.16 2wqt h LYS 214 Ca -0.02 0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.48 2wqt h LYS 214 Cb 0.41 0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 31.07 2wqt h LYS 214 CO 0.03 -0.19 0.63 0.52 -1.08 0.00 0.00 179.45 179.36 2wqt h MET 215 N -0.30 1.25 -0.56 3.15 2.86 -1.10 -0.42 114.93 119.82 2wqt h MET 215 Ca 0.15 -0.08 -0.07 0.00 -2.06 0.00 0.00 59.70 57.64 2wqt h MET 215 Cb 0.54 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 2wqt h MET 215 CO -0.49 0.83 0.07 0.00 1.06 0.00 0.00 176.91 178.38 2wqt h ALA 216 N 1.41 0.74 0.00 6.32 0.00 -0.86 -0.83 119.26 126.03 2wqt h ALA 216 Ca 0.35 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2wqt h ALA 216 Cb -0.14 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 2wqt h ALA 216 CO -0.08 0.51 -0.07 0.66 0.00 0.00 0.00 179.25 180.28 2wqt h SER 217 N 0.83 0.00 0.32 0.00 4.64 -0.37 -2.55 113.55 116.42 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 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2wqt h SER 217 CO 0.02 0.07 -0.02 0.18 -0.87 0.00 0.00 176.83 176.20 2wqt n LEU 218 N -3.14 0.15 -0.46 5.97 4.32 -0.24 -4.90 117.00 118.70 2wqt n LEU 218 Ca 0.02 0.11 -0.06 0.00 -0.02 0.00 0.00 56.01 56.06 2wqt n LEU 218 Cb 0.45 -0.16 -0.03 0.00 -1.62 0.00 0.00 43.42 42.07 2wqt n LEU 218 CO 0.32 0.03 -0.06 0.61 -1.22 0.00 0.00 177.39 177.07 2wqt n GLY 219 N 1.19 0.84 2.54 -0.72 0.00 -0.96 -4.97 105.19 103.11 2wqt n GLY 219 Ca 0.18 -0.64 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.65 2.39 -1.68 1.61 1.02 -0.34 -5.03 120.64 115.96 2wqt n GLU 220 Ca -0.06 -4.43 -0.38 0.00 -0.02 0.00 0.00 57.16 52.27 2wqt n GLU 220 Cb 0.22 -2.06 0.05 0.00 -0.02 0.00 0.00 31.44 29.63 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 0.50 1.17 -1.81 3.49 -0.02 -1.19 -4.45 135.00 132.69 2wqt n PRO 221 Ca 0.29 0.45 -0.41 0.00 -2.02 0.00 0.00 63.50 61.80 2wqt n PRO 221 Cb 0.44 -2.37 -0.02 0.00 -0.02 0.00 0.00 33.50 31.54 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 -2.98 4.35 0.17 2.45 1.43 -1.26 -4.86 118.68 117.99 2wqt s LEU 222 Ca 0.76 2.91 -0.01 0.00 -1.03 0.00 0.00 54.13 56.76 2wqt s LEU 222 Cb -0.41 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.13 2wqt s LEU 222 CO 0.46 -0.89 0.36 -0.13 0.23 0.00 0.00 176.35 176.38 2wqt s ARG 223 N -0.42 3.52 0.28 1.70 0.52 -1.26 -1.03 118.95 122.25 2wqt s ARG 223 Ca 0.63 -0.35 -0.30 0.00 -0.52 0.00 0.00 55.73 55.19 2wqt s ARG 223 Cb -0.47 -2.88 -0.13 0.00 0.52 0.00 0.00 34.95 31.99 2wqt s ARG 223 CO 0.47 0.45 1.36 -2.37 0.02 0.00 0.00 175.30 175.23 2wqt n THR 224 N -0.43 1.34 0.00 0.02 5.66 -1.23 -1.89 114.28 117.75 2wqt n THR 224 Ca -0.05 -0.33 0.00 0.00 -3.05 0.00 0.00 64.05 60.62 2wqt n THR 224 Cb 0.53 -1.52 0.00 0.00 -1.55 0.00 0.00 70.33 67.80 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 1.66 1.88 3.75 1.09 0.00 -0.23 -4.91 105.19 108.44 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 0.99 0.00 0.00 0.00 173.32 174.31 2wqt s ASP 226 N -2.20 5.12 -0.11 1.61 -0.00 -0.79 -4.66 116.67 115.64 2wqt s ASP 226 Ca 0.00 2.73 -0.04 0.00 -0.00 0.00 0.00 52.55 55.24 2wqt s ASP 226 Cb 0.00 -2.63 -0.04 0.00 -0.00 0.00 0.00 42.92 40.25 2wqt s ASP 226 CO 0.00 -1.67 0.06 -0.51 -0.00 0.00 0.00 175.17 173.05 2wqt s ILE 227 N -1.33 4.78 -0.14 0.77 2.07 -0.30 -2.28 121.20 124.78 2wqt s ILE 227 Ca 0.74 -0.06 0.01 0.00 -1.41 0.00 0.00 60.65 59.93 2wqt s ILE 227 Cb -0.40 -3.06 0.02 0.00 0.13 0.00 0.00 42.46 39.15 2wqt s ILE 227 CO 0.46 0.59 -0.17 -0.63 -1.91 0.00 0.00 174.94 173.28 2wqt s ILE 228 N -0.77 1.70 -0.31 2.00 1.01 0.47 -1.91 121.20 123.40 2wqt s ILE 228 Ca 0.12 -0.74 -0.18 0.00 0.00 0.00 0.00 60.65 59.85 2wqt s ILE 228 Cb -0.12 -1.56 -0.01 0.00 0.01 0.00 0.00 42.46 40.78 2wqt s ILE 228 CO 0.03 0.48 0.52 -0.76 0.00 0.00 0.00 174.94 175.20 2wqt s LEU 229 N 1.18 4.19 0.00 2.97 1.43 -0.59 -0.77 118.68 127.09 2wqt s LEU 229 Ca -0.01 0.24 0.29 0.00 -1.03 0.00 0.00 54.13 53.62 2wqt s LEU 229 Cb -0.14 -2.63 1.27 0.00 0.03 0.00 0.00 46.19 44.72 2wqt s LEU 229 CO -0.06 -0.39 1.87 0.35 0.23 0.00 0.00 176.35 178.34 2wqt n THR 230 N 5.31 0.00 0.00 5.49 -2.24 -0.76 -0.36 114.28 121.73 2wqt n THR 230 Ca -0.04 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2wqt n THR 230 Cb 0.49 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 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 1.15 3.05 3.73 3.38 0.00 -1.22 -4.75 105.19 110.52 2wqt n GLY 231 Ca 0.20 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.92 3.70 -0.22 4.61 0.00 -1.26 -4.34 121.76 121.33 2wqt s ALA 232 Ca 0.00 1.34 0.18 0.00 0.00 0.00 0.00 51.96 53.49 2wqt s ALA 232 Cb 0.00 -3.59 0.07 0.00 0.00 0.00 0.00 23.12 19.60 2wqt s ALA 232 CO 0.00 -0.76 1.28 -0.07 0.00 0.00 0.00 175.76 176.21 2wqt h LEU 233 N 6.02 0.00 -8.22 0.00 3.38 -1.43 -3.40 115.31 111.66 2wqt h LEU 233 Ca -0.44 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.43 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 0.85 0.33 0.04 -0.83 0.09 0.00 0.00 178.44 178.93 2wqt s GLY 234 N -4.47 0.72 0.46 0.83 0.00 -1.26 -2.52 107.32 101.08 2wqt s GLY 234 Ca 0.02 -0.98 -0.24 0.00 0.00 0.00 0.00 44.72 43.52 2wqt s GLY 234 CO 0.75 -0.57 1.35 -4.14 0.00 0.00 0.00 173.10 170.49 2wqt s PRO 235 N -3.03 3.63 0.63 2.90 0.02 -1.26 -4.70 135.00 133.19 2wqt s PRO 235 Ca 0.21 2.24 -0.14 0.00 0.02 0.00 0.00 61.00 63.34 2wqt s PRO 235 Cb -0.03 -2.56 -0.02 0.00 0.02 0.00 0.00 34.50 31.91 2wqt s PRO 235 CO 0.13 -0.80 1.06 0.00 -0.33 0.00 0.00 177.00 177.06 2wqt s MET 236 N -2.53 3.14 0.10 5.54 0.23 -1.26 -4.82 119.30 119.70 2wqt s MET 236 Ca 0.63 1.13 0.05 0.00 -1.03 0.00 0.00 55.69 56.46 2wqt s MET 236 Cb -0.40 -2.01 -0.03 0.00 -1.53 0.00 0.00 34.83 30.85 2wqt s MET 236 CO 0.50 -0.95 -0.12 0.14 -2.03 0.00 0.00 175.02 172.57 2wqt s VAL 237 N -2.66 1.07 0.29 5.16 -7.23 -0.70 -4.95 120.40 111.38 2wqt s VAL 237 Ca 0.62 -1.57 -0.29 0.00 -1.81 0.00 0.00 61.98 58.93 2wqt s VAL 237 Cb -0.15 -1.31 -0.10 0.00 0.56 0.00 0.00 36.38 35.38 2wqt s VAL 237 CO 0.43 -0.44 1.14 0.00 -0.31 0.00 0.00 175.10 175.93 2wqt s ALA 238 N -2.07 3.43 -0.18 1.32 0.00 -1.26 -1.58 121.76 121.42 2wqt s ALA 238 Ca 0.04 0.98 -0.12 0.00 0.00 0.00 0.00 51.96 52.86 2wqt s ALA 238 Cb -0.05 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 2wqt s ALA 238 CO 0.01 -0.27 0.21 0.08 0.00 0.00 0.00 175.76 175.80 2wqt s VAL 239 N -1.16 5.36 0.21 0.00 1.01 -0.54 -4.88 120.40 120.40 2wqt s VAL 239 Ca 0.45 0.37 0.09 0.00 0.00 0.00 0.00 61.98 62.90 2wqt s VAL 239 Cb -0.34 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 2wqt s VAL 239 CO 0.44 0.42 -0.08 0.20 0.00 0.00 0.00 175.10 176.08 2wqt s ASN 240 N 0.34 4.24 0.16 3.32 0.02 -1.26 -4.70 114.94 117.06 2wqt s ASN 240 Ca 0.13 -0.65 -0.33 0.00 -1.02 0.00 0.00 52.86 50.98 2wqt s ASN 240 Cb -0.12 -0.70 -0.16 0.00 0.02 0.00 0.00 41.25 40.29 2wqt s ASN 240 CO 0.01 0.07 1.16 0.00 0.02 0.00 0.00 177.10 178.36 2wqt n ALA 241 N -0.28 -0.98 0.00 0.60 0.00 -1.26 -1.71 120.51 116.89 2wqt n ALA 241 Ca -0.09 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2wqt n ALA 241 Cb 0.57 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 18.01 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 2.04 2.71 3.74 0.00 0.00 0.50 -4.97 105.19 109.21 2wqt n GLY 242 Ca 0.16 0.00 -0.42 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 3.50 -4.24 1.61 10.43 -0.69 -4.59 116.55 122.56 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 -1.56 -0.14 0.00 1.84 0.00 0.00 41.12 41.26 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 -1.38 2.94 -0.15 -1.24 3.52 -1.26 -0.92 118.95 120.45 2wqt s ARG 244 Ca 0.59 -0.92 -0.05 0.00 -0.13 0.00 0.00 55.73 55.22 2wqt s ARG 244 Cb -0.52 -3.08 -0.03 0.00 -1.56 0.00 0.00 34.95 29.75 2wqt s ARG 244 CO 0.57 -0.40 0.01 -0.06 -0.81 0.00 0.00 175.30 174.61 2wqt s PHE 245 N 1.38 3.14 -0.02 5.12 0.40 0.53 -1.14 117.98 127.39 2wqt s PHE 245 Ca 0.01 -0.06 0.04 0.00 -0.60 0.00 0.00 56.93 56.32 2wqt s PHE 245 Cb -0.17 -1.97 -0.01 0.00 0.51 0.00 0.00 43.02 41.39 2wqt s PHE 245 CO -0.03 0.14 -0.14 -2.00 0.70 0.00 0.00 175.22 173.89 2wqt s GLU 246 N 0.11 1.17 -0.04 0.44 2.12 -0.73 -0.92 118.70 120.86 2wqt s GLU 246 Ca 0.02 -0.49 0.04 0.00 0.36 0.00 0.00 54.97 54.90 2wqt s GLU 246 Cb -0.13 -1.12 -0.00 0.00 0.26 0.00 0.00 34.13 33.14 2wqt s GLU 246 CO 0.02 0.28 -0.15 0.00 -0.54 0.00 0.00 175.26 174.86 2wqt s ALA 247 N -0.25 1.38 -0.14 6.30 0.00 0.63 -0.93 121.76 128.76 2wqt s ALA 247 Ca 0.04 -0.62 0.01 0.00 0.00 0.00 0.00 51.96 51.39 2wqt s ALA 247 Cb -0.06 -0.46 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 2wqt s ALA 247 CO -0.00 0.25 -0.15 -1.01 0.00 0.00 0.00 175.76 174.84 2wqt s HIS 248 N 0.06 2.77 -0.33 0.00 0.09 0.76 -1.29 115.29 117.35 2wqt s HIS 248 Ca -0.03 -0.91 0.03 0.00 -0.00 0.00 0.00 55.06 54.15 2wqt s HIS 248 Cb -0.11 -1.85 0.09 0.00 -0.00 0.00 0.00 32.58 30.71 2wqt s HIS 248 CO 0.02 -0.38 0.03 0.42 -0.00 0.00 0.00 174.74 174.82 2wqt s ILE 249 N 0.61 2.41 -0.09 0.60 1.01 0.14 -0.89 121.20 124.99 2wqt s ILE 249 Ca -0.09 -2.09 -0.39 0.00 0.00 0.00 0.00 60.65 58.08 2wqt s ILE 249 Cb -0.16 -2.66 -0.19 0.00 0.01 0.00 0.00 42.46 39.46 2wqt s ILE 249 CO 0.03 -0.44 1.12 1.21 0.00 0.00 0.00 174.94 176.85 2wqt n GLU 250 N 4.35 0.00 -0.48 2.79 2.13 0.21 -0.81 120.64 128.83 2wqt n GLU 250 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 2wqt n GLU 250 Cb 0.42 -1.43 0.00 0.00 0.27 0.00 0.00 31.44 30.70 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 1.90 1.66 0.98 8.31 0.00 -1.26 -4.56 105.19 112.22 2wqt n GLY 251 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.22 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 0.43 -0.96 -0.61 5.41 0.01 -4.85 119.36 116.79 2wqt n ILE 252 Ca 0.00 0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.87 2wqt n ILE 252 Cb 0.00 -1.55 0.00 0.00 -0.71 0.00 0.00 39.64 37.38 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 3.09 -0.14 3.13 7.39 0.00 -0.59 -3.94 105.19 114.13 2wqt n GLY 253 Ca -0.01 -1.10 -0.09 0.00 0.00 0.00 0.00 46.02 44.81 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 0.17 0.02 1.61 1.04 -0.35 -0.69 113.70 111.51 2wqt s SER 254 Ca 0.00 -0.55 0.03 0.00 0.48 0.00 0.00 55.95 55.91 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 -0.55 -0.09 -0.69 0.98 0.00 0.00 173.24 172.90 2wqt s VAL 255 N -2.83 0.65 0.04 5.02 1.01 -0.41 -2.53 120.40 121.35 2wqt s VAL 255 Ca -0.03 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.24 2wqt s VAL 255 Cb 0.00 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 2wqt s VAL 255 CO -0.06 -0.08 -0.08 0.00 0.00 0.00 0.00 175.10 174.89 2wqt s ALA 256 N -0.76 0.58 -0.08 5.51 0.00 -1.26 -0.27 121.76 125.49 2wqt s ALA 256 Ca -0.02 -0.69 -0.11 0.00 0.00 0.00 0.00 51.96 51.13 2wqt s ALA 256 Cb -0.06 0.01 0.03 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 -1.18 -0.73 -0.03 0.00 0.00 -0.09 -0.54 121.76 119.20 2wqt s ALA 257 Ca -0.08 0.63 0.07 0.00 0.00 0.00 0.00 51.96 52.58 2wqt s ALA 257 Cb -0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 2wqt s ALA 257 CO 0.00 -0.18 -0.24 0.99 0.00 0.00 0.00 175.76 176.34 2wqt s THR 258 N -0.38 1.89 -0.10 0.00 2.01 -0.98 -0.35 115.64 117.73 2wqt s THR 258 Ca -0.05 -1.01 -0.06 0.00 0.31 0.00 0.00 61.69 60.88 2wqt s THR 258 Cb -0.03 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 2wqt s THR 258 CO 0.02 0.53 0.13 -0.36 -0.69 0.00 0.00 174.62 174.25 2wqt s PHE 259 N -0.45 3.54 0.00 4.92 0.08 -0.10 0.11 117.98 126.09 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 -1.91 0.00 0.00 -0.57 0.00 0.00 43.02 40.44 2wqt s PHE 259 CO 0.00 0.70 0.00 -1.13 -0.10 0.00 0.00 175.22 174.69 2wqt n SER 260 N 1.87 -0.15 -0.37 1.36 3.41 -0.16 -2.44 113.62 117.14 2wqt n SER 260 Ca -0.19 -0.09 0.05 0.00 -0.26 0.00 0.00 58.87 58.38 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