#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wsi n GLN 2 N 0.00 0.59 -0.30 3.17 1.13 -1.26 -3.77 117.38 116.94 2wsi n GLN 2 Ca 0.00 0.27 -0.04 0.00 -1.94 0.00 0.00 57.00 55.29 2wsi n GLN 2 Cb 0.00 -2.42 0.08 0.00 0.11 0.00 0.00 30.24 28.00 2wsi n GLN 2 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2wsi h LEU 3 N -0.24 0.95 -1.10 1.08 5.85 -1.86 -1.22 115.31 118.76 2wsi h LEU 3 Ca -0.48 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.22 2wsi h LEU 3 Cb 1.32 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 2wsi h LEU 3 CO 0.49 0.68 0.55 0.77 -0.34 0.00 0.00 178.44 180.59 2wsi h SER 4 N 1.12 1.01 -0.36 1.25 4.64 -1.89 0.62 113.55 119.94 2wsi h SER 4 Ca 0.30 -0.04 -0.16 0.00 -0.47 0.00 0.00 61.79 61.42 2wsi h SER 4 Cb -0.13 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.70 2wsi h SER 4 CO -0.07 0.76 -0.40 0.11 -0.87 0.00 0.00 176.83 176.36 2wsi h LYS 5 N 1.18 0.92 -0.60 4.77 1.79 -1.68 -0.67 116.57 122.29 2wsi h LYS 5 Ca 0.31 -0.49 -0.04 0.00 -2.18 0.00 0.00 60.65 58.26 2wsi h LYS 5 Cb -0.09 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.55 2wsi h LYS 5 CO -0.06 1.14 0.23 0.00 -1.08 0.00 0.00 179.45 179.67 2wsi h ALA 6 N 0.79 0.78 -0.15 3.86 0.00 -0.81 -0.47 119.26 123.25 2wsi h ALA 6 Ca 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2wsi h ALA 6 Cb 0.99 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2wsi h ALA 6 CO 0.10 0.41 0.04 0.00 0.00 0.00 0.00 179.25 179.79 2wsi h ALA 7 N 1.08 0.20 -0.74 0.00 0.00 -0.76 -0.92 119.26 118.12 2wsi h ALA 7 Ca 0.20 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2wsi h ALA 7 Cb 0.22 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2wsi h ALA 7 CO -0.01 -0.16 0.33 1.49 0.00 0.00 0.00 179.25 180.90 2wsi h GLU 8 N 0.05 1.08 -0.07 0.00 4.22 -1.05 0.20 114.58 119.01 2wsi h GLU 8 Ca 0.05 -0.18 0.01 0.00 0.08 0.00 0.00 59.36 59.33 2wsi h GLU 8 Cb 0.27 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2wsi h GLU 8 CO 0.00 0.87 -0.02 1.98 -2.18 0.00 0.00 179.01 179.65 2wsi h MET 9 N 1.05 -0.01 -0.35 1.92 4.05 -0.97 -0.87 114.93 119.75 2wsi h MET 9 Ca 0.25 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.61 2wsi h MET 9 Cb 0.16 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.95 2wsi h MET 9 CO -0.03 -0.01 -0.04 0.00 0.23 0.00 0.00 176.91 177.07 2wsi h TYR 11 N 0.54 0.73 -0.55 0.00 3.20 -0.64 -0.49 116.97 119.76 2wsi h TYR 11 Ca 0.11 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.91 2wsi h TYR 11 Cb 0.40 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 2wsi h TYR 11 CO 0.02 0.44 -0.01 0.93 -1.64 0.00 0.00 178.16 177.89 2wsi h GLU 12 N 0.78 0.96 -0.29 1.82 5.08 -0.11 -0.34 114.58 122.47 2wsi h GLU 12 Ca 0.23 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2wsi h GLU 12 Cb -0.04 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2wsi h GLU 12 CO -0.07 0.95 0.09 0.82 -1.00 0.00 0.00 179.01 179.79 2wsi h ILE 13 N 0.88 1.20 -0.21 3.13 2.04 -0.76 0.14 117.51 123.94 2wsi h ILE 13 Ca 0.16 -0.66 -0.10 0.00 1.00 0.00 0.00 64.86 65.27 2wsi h ILE 13 Cb 0.53 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.70 2wsi h ILE 13 CO 0.03 0.22 -0.25 0.74 0.00 0.00 0.00 178.15 178.88 2wsi h THR 14 N 0.31 1.33 -0.51 -0.27 2.02 -0.98 -0.66 112.91 114.15 2wsi h THR 14 Ca 0.09 -1.44 0.04 0.00 0.77 0.00 0.00 66.41 65.88 2wsi h THR 14 Cb 0.25 1.78 -0.04 0.00 -1.74 0.00 0.00 68.15 68.39 2wsi h THR 14 CO -0.00 0.44 0.26 -1.13 0.37 0.00 0.00 175.52 175.46 2wsi h ASN 15 N 0.22 0.38 -0.74 4.18 -1.24 -0.97 -0.09 115.58 117.32 2wsi h ASN 15 Ca 0.03 0.03 0.01 0.00 0.71 0.00 0.00 56.30 57.07 2wsi h ASN 15 Cb 0.82 -0.04 -0.04 0.00 0.73 0.00 0.00 38.32 39.79 2wsi h ASN 15 CO 0.06 0.26 0.48 -1.28 -1.29 0.00 0.00 177.43 175.67 2wsi h SER 16 N 0.51 0.85 -0.76 1.15 0.87 -0.54 -1.76 113.55 113.87 2wsi h SER 16 Ca 0.22 -0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.71 2wsi h SER 16 Cb 0.13 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 61.84 2wsi h SER 16 CO -0.15 0.62 0.28 0.22 -0.53 0.00 0.00 176.83 177.27 2wsi h TYR 17 N 1.00 1.19 0.00 2.24 3.20 -0.39 -1.90 116.97 122.31 2wsi h TYR 17 Ca 0.27 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 62.04 2wsi h TYR 17 Cb -0.11 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 37.81 2wsi h TYR 17 CO -0.02 0.91 0.00 1.28 -1.64 0.00 0.00 178.16 178.69 2wsi n LEU 18 N -4.27 0.55 -1.11 2.82 4.77 -0.11 -1.70 117.00 117.95 2wsi n LEU 18 Ca 0.07 0.62 0.12 0.00 -0.03 0.00 0.00 56.01 56.79 2wsi n LEU 18 Cb 0.20 -0.54 0.19 0.00 -2.33 0.00 0.00 43.42 40.94 2wsi n LEU 18 CO 0.41 -0.46 0.69 1.41 -1.33 0.00 0.00 177.39 178.11 2wsi n HIS 19 N -2.09 0.36 -1.80 -1.77 8.25 -0.72 -4.94 115.22 112.51 2wsi n HIS 19 Ca 0.03 -0.18 -0.42 0.00 -0.26 0.00 0.00 57.72 56.89 2wsi n HIS 19 Cb 0.24 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.32 2wsi n HIS 19 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2wsi s ILE 20 N -1.64 2.69 -0.74 1.59 1.01 -0.69 -4.93 121.20 118.50 2wsi s ILE 20 Ca 0.36 0.21 0.04 0.00 0.00 0.00 0.00 60.65 61.26 2wsi s ILE 20 Cb 0.22 -3.14 0.24 0.00 0.01 0.00 0.00 42.46 39.79 2wsi s ILE 20 CO 0.31 0.00 0.78 -0.67 0.00 0.00 0.00 174.94 175.37 2wsi n ASP 21 N 5.50 3.96 -4.37 3.58 2.03 -1.26 -5.01 116.55 120.97 2wsi n ASP 21 Ca 0.17 -3.36 -0.28 0.00 0.52 0.00 0.00 54.79 51.84 2wsi n ASP 21 Cb 0.39 -0.80 -0.13 0.00 -0.72 0.00 0.00 41.12 39.86 2wsi n ASP 21 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2wsi s GLN 22 N -2.17 1.39 -0.21 -0.67 -1.52 -1.26 -5.08 119.66 110.13 2wsi s GLN 22 Ca 0.34 -1.30 -0.29 0.00 -1.95 0.00 0.00 55.36 52.16 2wsi s GLN 22 Cb 0.07 -1.83 -0.03 0.00 -0.22 0.00 0.00 33.01 31.00 2wsi s GLN 22 CO -0.05 0.44 1.66 0.21 -0.25 0.00 0.00 175.29 177.30 2wsi s LYS 23 N -1.97 3.76 -0.30 2.91 2.47 -1.26 -4.87 119.74 120.47 2wsi s LYS 23 Ca 0.13 1.70 -0.19 0.00 -1.56 0.00 0.00 55.97 56.05 2wsi s LYS 23 Cb -0.10 -4.06 0.20 0.00 -1.46 0.00 0.00 37.83 32.41 2wsi s LYS 23 CO 0.05 -1.34 1.30 0.45 0.16 0.00 0.00 175.35 175.97 2wsi s SER 24 N 4.50 -0.04 0.26 1.43 0.15 -1.26 -4.99 113.70 113.74 2wsi s SER 24 Ca 0.74 0.06 -0.01 0.00 0.70 0.00 0.00 55.95 57.44 2wsi s SER 24 Cb -0.26 1.05 0.34 0.00 -1.71 0.00 0.00 66.02 65.44 2wsi s SER 24 CO 0.30 -0.01 1.72 1.56 1.20 0.00 0.00 173.24 178.01 2wsi h GLN 25 N 6.84 0.66 -0.08 5.44 4.20 -1.99 -2.40 115.11 127.78 2wsi h GLN 25 Ca -0.15 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.33 2wsi h GLN 25 Cb 1.13 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.85 2wsi h GLN 25 CO 0.08 0.78 -0.01 0.82 -0.67 0.00 0.00 178.83 179.82 2wsi h ILE 26 N 0.60 1.28 -0.39 2.54 2.04 -1.98 0.02 117.51 121.62 2wsi h ILE 26 Ca 0.10 -0.90 -0.02 0.00 1.00 0.00 0.00 64.86 65.04 2wsi h ILE 26 Cb 0.59 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 2wsi h ILE 26 CO 0.04 0.25 0.17 0.40 0.00 0.00 0.00 178.15 179.01 2wsi h ILE 27 N -0.17 1.19 -0.61 -0.67 1.08 -1.94 -0.73 117.51 115.66 2wsi h ILE 27 Ca 0.02 -0.56 -0.08 0.00 -0.39 0.00 0.00 64.86 63.85 2wsi h ILE 27 Cb 0.40 0.83 -0.02 0.00 -3.07 0.00 0.00 36.82 34.96 2wsi h ILE 27 CO 0.01 0.20 0.05 0.00 -0.69 0.00 0.00 178.15 177.72 2wsi h ALA 28 N 1.01 0.82 -0.88 1.87 0.00 -1.36 -0.16 119.26 120.57 2wsi h ALA 28 Ca 0.13 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.77 2wsi h ALA 28 Cb 0.16 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 2wsi h ALA 28 CO -0.01 0.62 0.58 1.03 0.00 0.00 0.00 179.25 181.46 2wsi h SER 29 N 0.95 0.98 0.49 0.00 0.87 -0.77 -2.04 113.55 114.03 2wsi h SER 29 Ca 0.18 -0.02 -0.16 0.00 -1.23 0.00 0.00 61.79 60.56 2wsi h SER 29 Cb 0.49 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 2wsi h SER 29 CO 0.02 0.70 -0.72 0.74 -0.53 0.00 0.00 176.83 177.04 2wsi h THR 30 N 1.16 1.44 -0.63 2.23 2.02 -0.62 -1.12 112.91 117.40 2wsi h THR 30 Ca 0.33 -2.27 -0.05 0.00 0.77 0.00 0.00 66.41 65.19 2wsi h THR 30 Cb -0.08 2.21 -0.03 0.00 -1.74 0.00 0.00 68.15 68.51 2wsi h THR 30 CO -0.09 0.66 0.18 1.56 0.37 0.00 0.00 175.52 178.21 2wsi h GLN 31 N 0.13 0.98 -0.55 6.66 4.20 -0.84 -0.75 115.11 124.95 2wsi h GLN 31 Ca -0.02 -0.22 -0.06 0.00 0.06 0.00 0.00 58.65 58.41 2wsi h GLN 31 Cb 1.27 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.89 2wsi h GLN 31 CO 0.11 0.88 0.12 1.49 -0.67 0.00 0.00 178.83 180.76 2wsi h GLU 32 N 0.91 0.88 -0.59 1.46 4.81 -1.14 -1.64 114.58 119.27 2wsi h GLU 32 Ca 0.20 -0.22 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 2wsi h GLU 32 Cb 0.32 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 2wsi h GLU 32 CO -0.00 0.84 0.23 0.00 -0.73 0.00 0.00 179.01 179.34 2wsi h ALA 33 N 1.01 1.30 -0.10 2.92 0.00 -0.91 -1.94 119.26 121.54 2wsi h ALA 33 Ca 0.17 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2wsi h ALA 33 Cb 0.36 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2wsi h ALA 33 CO 0.00 0.52 0.05 0.82 0.00 0.00 0.00 179.25 180.64 2wsi h ILE 34 N 0.84 1.12 -0.87 0.00 2.04 -0.95 -1.80 117.51 117.88 2wsi h ILE 34 Ca 0.20 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 2wsi h ILE 34 Cb 0.17 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 2wsi h ILE 34 CO -0.02 0.10 0.53 0.03 0.00 0.00 0.00 178.15 178.80 2wsi h ARG 35 N 0.04 1.18 -0.08 2.37 3.08 -0.98 -0.65 114.38 119.33 2wsi h ARG 35 Ca 0.03 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 2wsi h ARG 35 Cb 0.12 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 2wsi h ARG 35 CO -0.00 0.82 -0.06 1.25 -1.07 0.00 0.00 179.97 180.90 2wsi h LEU 36 N 1.20 0.20 -0.60 3.04 5.85 -1.31 -1.06 115.31 122.64 2wsi h LEU 36 Ca 0.31 -0.45 0.08 0.00 0.84 0.00 0.00 57.88 58.67 2wsi h LEU 36 Cb -0.06 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 40.85 2wsi h LEU 36 CO -0.06 0.61 0.24 0.74 -0.34 0.00 0.00 178.44 179.63 2wsi h THR 37 N -0.21 0.81 -0.51 1.05 2.02 -1.11 -1.01 112.91 113.95 2wsi h THR 37 Ca 0.02 -0.15 -0.06 0.00 0.77 0.00 0.00 66.41 66.98 2wsi h THR 37 Cb 0.55 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 2wsi h THR 37 CO 0.02 0.08 0.06 0.03 0.37 0.00 0.00 175.52 176.08 2wsi h ARG 38 N 0.44 0.82 -0.38 6.66 3.08 -1.08 -2.15 114.38 121.76 2wsi h ARG 38 Ca 0.29 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 2wsi h ARG 38 Cb 0.33 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 2wsi h ARG 38 CO -0.27 0.78 0.15 0.87 -1.07 0.00 0.00 179.97 180.42 2wsi h LYS 39 N 0.77 0.58 -0.40 0.04 1.79 -0.55 0.09 116.57 118.89 2wsi h LYS 39 Ca 0.16 -0.11 0.08 0.00 -2.18 0.00 0.00 60.65 58.60 2wsi h LYS 39 Cb 0.38 -0.09 -0.07 0.00 -1.58 0.00 0.00 32.23 30.87 2wsi h LYS 39 CO 0.01 0.56 -0.02 1.88 -1.08 0.00 0.00 179.45 180.80 2wsi h TYR 40 N 0.47 -0.06 0.17 -1.35 0.05 -0.92 0.02 116.97 115.35 2wsi h TYR 40 Ca 0.13 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.93 2wsi h TYR 40 Cb 0.20 0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.03 2wsi h TYR 40 CO 0.00 -0.10 -0.08 -0.07 -1.05 0.00 0.00 178.16 176.86 2wsi h LEU 41 N 0.08 -0.20 -0.12 3.88 3.38 -1.06 -0.54 115.31 120.74 2wsi h LEU 41 Ca 0.20 -0.22 -0.24 0.00 0.09 0.00 0.00 57.88 57.71 2wsi h LEU 41 Cb 0.28 0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.10 2wsi h LEU 41 CO -0.35 0.12 -0.92 -0.07 0.09 0.00 0.00 178.44 177.32 2wsi h LEU 42 N -0.53 0.82 0.00 1.67 3.38 -0.97 0.20 115.31 119.88 2wsi h LEU 42 Ca -0.02 -0.61 -0.23 0.00 0.09 0.00 0.00 57.88 57.11 2wsi h LEU 42 Cb 0.40 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 2wsi h LEU 42 CO 0.04 1.40 -1.76 -1.20 0.09 0.00 0.00 178.44 177.01 2wsi n SER 43 N -3.86 0.58 -0.00 -0.43 7.64 -0.01 -4.23 113.62 113.31 2wsi n SER 43 Ca -0.09 0.26 -0.00 0.00 1.01 0.00 0.00 58.87 60.06 2wsi n SER 43 Cb 0.82 0.48 -0.00 0.00 -1.01 0.00 0.00 64.21 64.49 2wsi n SER 43 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2wsi n GLU 44 N -2.83 2.23 -0.09 1.43 1.02 -0.54 -4.76 120.64 117.09 2wsi n GLU 44 Ca -0.16 -0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.83 2wsi n GLU 44 Cb 0.94 -1.01 -0.05 0.00 -0.02 0.00 0.00 31.44 31.30 2wsi n GLU 44 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2wsi n ILE 45 N -1.80 1.42 0.35 -3.67 5.41 -0.32 -4.36 119.36 116.39 2wsi n ILE 45 Ca -0.00 -0.02 0.13 0.00 1.00 0.00 0.00 62.75 63.86 2wsi n ILE 45 Cb 0.30 -2.10 0.57 0.00 -0.71 0.00 0.00 39.64 37.70 2wsi n ILE 45 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 2wsi h PHE 46 N -0.87 0.00 0.00 1.39 0.04 -0.78 -0.51 116.94 116.20 2wsi h PHE 46 Ca -0.23 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.45 2wsi h PHE 46 Cb 1.12 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.26 2wsi h PHE 46 CO -0.27 0.00 -0.43 0.28 -0.60 0.00 0.00 178.31 177.30 2wsi h VAL 47 N 0.00 0.91 0.00 -0.55 2.07 -1.78 -3.35 116.25 113.55 2wsi h VAL 47 Ca 0.00 -1.74 -0.30 0.00 0.82 0.00 0.00 66.70 65.47 2wsi h VAL 47 Cb 0.36 2.07 -0.06 0.00 -1.52 0.00 0.00 31.29 32.15 2wsi h VAL 47 CO 0.00 0.42 -2.13 -1.14 0.02 0.00 0.00 177.57 174.73 2wsi n ARG 48 N -3.46 1.18 -4.21 1.57 0.63 -0.53 -4.99 116.66 106.85 2wsi n ARG 48 Ca 0.00 0.02 -0.18 0.00 -0.92 0.00 0.00 57.85 56.77 2wsi n ARG 48 Cb 0.57 -1.42 -0.12 0.00 0.45 0.00 0.00 32.46 31.94 2wsi n ARG 48 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 2wsi s TRP 49 N -2.40 1.16 0.06 -0.14 0.51 -0.31 -5.13 118.94 112.68 2wsi s TRP 49 Ca -0.12 -0.42 -0.30 0.00 -2.12 0.00 0.00 56.10 53.14 2wsi s TRP 49 Cb 0.05 -0.66 -0.05 0.00 -0.81 0.00 0.00 33.47 32.00 2wsi s TRP 49 CO 0.63 0.04 1.01 0.45 -0.51 0.00 0.00 176.95 178.57 2wsi s SER 50 N -1.52 7.37 0.00 2.95 0.15 -1.26 -4.22 113.70 117.16 2wsi s SER 50 Ca -0.02 1.78 0.29 0.00 0.70 0.00 0.00 55.95 58.71 2wsi s SER 50 Cb -0.09 -2.58 1.52 0.00 -1.71 0.00 0.00 66.02 63.15 2wsi s SER 50 CO 0.02 -0.22 2.00 -0.81 1.20 0.00 0.00 173.24 175.43 2wsi n PRO 51 N 3.42 1.26 -0.06 5.44 -0.04 -1.26 -3.36 135.00 140.40 2wsi n PRO 51 Ca 0.05 -0.38 -0.08 0.00 -0.04 0.00 0.00 63.50 63.05 2wsi n PRO 51 Cb 0.49 -1.48 -0.07 0.00 -0.04 0.00 0.00 33.50 32.41 2wsi n PRO 51 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2wsi n LEU 52 N -0.53 2.09 -0.41 1.53 4.77 -1.26 -4.74 117.00 118.45 2wsi n LEU 52 Ca 0.21 -0.05 0.14 0.00 -0.03 0.00 0.00 56.01 56.28 2wsi n LEU 52 Cb 0.20 -0.24 0.50 0.00 -2.33 0.00 0.00 43.42 41.55 2wsi n LEU 52 CO 0.17 0.58 0.82 -0.46 -1.33 0.00 0.00 177.39 177.17 2wsi n ASN 53 N -2.72 1.36 0.00 -1.43 0.23 -1.26 -4.71 115.26 106.72 2wsi n ASN 53 Ca -0.21 -1.34 0.00 0.00 -0.53 0.00 0.00 54.58 52.50 2wsi n ASN 53 Cb 0.77 0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.50 2wsi n ASN 53 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wsi n GLY 54 N 1.21 0.74 0.27 4.83 0.00 -1.26 -4.96 105.19 106.02 2wsi n GLY 54 Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.22 2wsi n GLY 54 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2wsi h GLU 55 N 2.25 0.34 -5.31 1.61 5.08 -1.79 -3.38 114.58 113.38 2wsi h GLU 55 Ca 0.00 -0.05 -0.66 0.00 -1.00 0.00 0.00 59.36 57.65 2wsi h GLU 55 Cb 0.00 -0.06 -0.28 0.00 0.50 0.00 0.00 28.75 28.91 2wsi h GLU 55 CO 0.00 0.36 -0.78 0.42 -1.00 0.00 0.00 179.01 178.00 2wsi s ILE 56 N -5.02 2.88 -0.02 3.13 1.01 -1.21 -0.26 121.20 121.70 2wsi s ILE 56 Ca -0.07 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 59.89 2wsi s ILE 56 Cb 0.16 -2.20 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 2wsi s ILE 56 CO 0.73 0.53 -0.06 -0.55 0.00 0.00 0.00 174.94 175.59 2wsi s SER 57 N 0.40 4.71 -0.28 3.58 0.15 -0.72 -4.69 113.70 116.86 2wsi s SER 57 Ca -0.11 -0.09 -0.16 0.00 0.70 0.00 0.00 55.95 56.29 2wsi s SER 57 Cb -0.16 -1.15 -0.03 0.00 -1.71 0.00 0.00 66.02 62.97 2wsi s SER 57 CO 0.06 0.31 0.41 0.12 1.20 0.00 0.00 173.24 175.34 2wsi s PHE 58 N -0.96 3.24 -0.30 3.44 5.36 -0.52 -1.14 117.98 127.11 2wsi s PHE 58 Ca 0.16 0.42 -0.26 0.00 -0.96 0.00 0.00 56.93 56.29 2wsi s PHE 58 Cb -0.11 -2.63 0.01 0.00 -0.34 0.00 0.00 43.02 39.94 2wsi s PHE 58 CO 0.06 -0.27 0.94 -1.54 -1.46 0.00 0.00 175.22 172.95 2wsi s SER 59 N 1.63 6.83 -0.06 6.13 1.04 -0.08 -0.64 113.70 128.55 2wsi s SER 59 Ca 0.16 0.91 0.03 0.00 0.48 0.00 0.00 55.95 57.53 2wsi s SER 59 Cb -0.16 -2.48 0.01 0.00 0.10 0.00 0.00 66.02 63.49 2wsi s SER 59 CO 0.10 -0.73 -0.13 -0.47 0.98 0.00 0.00 173.24 172.99 2wsi s TYR 60 N 3.28 1.47 -0.03 5.02 5.04 -0.54 -4.59 117.35 127.01 2wsi s TYR 60 Ca 0.39 -0.51 0.04 0.00 -2.44 0.00 0.00 57.07 54.54 2wsi s TYR 60 Cb -0.13 -1.06 0.06 0.00 0.35 0.00 0.00 41.96 41.17 2wsi s TYR 60 CO 0.13 -0.25 0.87 0.27 -1.34 0.00 0.00 175.55 175.23 2wsi n ASN 61 N 3.67 1.05 0.00 4.32 0.23 -1.26 -4.21 115.26 119.06 2wsi n ASN 61 Ca -0.22 -1.90 0.00 0.00 -0.53 0.00 0.00 54.58 51.93 2wsi n ASN 61 Cb 0.52 -0.12 0.00 0.00 -2.08 0.00 0.00 39.78 38.10 2wsi n ASN 61 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wsi n GLY 62 N -0.43 1.20 3.75 4.83 0.00 -1.26 -4.90 105.19 108.38 2wsi n GLY 62 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 2wsi n GLY 62 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wsi s GLY 63 N -2.00 1.59 0.24 -0.02 0.00 -1.26 -4.54 107.32 101.33 2wsi s GLY 63 Ca 0.00 -0.35 -0.06 0.00 0.00 0.00 0.00 44.72 44.30 2wsi s GLY 63 CO 0.00 0.18 1.88 0.07 0.00 0.00 0.00 173.10 175.23 2wsi h LYS 64 N -1.53 1.28 -0.02 2.90 2.10 -1.97 -1.01 116.57 118.31 2wsi h LYS 64 Ca -0.51 -0.13 -0.00 0.00 -2.00 0.00 0.00 60.65 58.01 2wsi h LYS 64 Cb 1.31 -0.26 -0.00 0.00 -0.90 0.00 0.00 32.23 32.38 2wsi h LYS 64 CO 0.59 0.90 -0.01 -0.44 -2.00 0.00 0.00 179.45 178.50 2wsi h ASP 65 N 1.29 0.04 1.35 7.07 3.32 -1.92 -0.64 116.42 126.92 2wsi h ASP 65 Ca 0.33 -0.43 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 2wsi h ASP 65 Cb -0.03 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 2wsi h ASP 65 CO -0.06 0.46 -0.20 0.00 -1.72 0.00 0.00 179.24 177.72 2wsi h GLN 67 N 0.00 0.43 -0.40 0.00 4.15 -1.10 0.26 115.11 118.45 2wsi h GLN 67 Ca -0.00 -0.12 0.03 0.00 0.77 0.00 0.00 58.65 59.32 2wsi h GLN 67 Cb 0.93 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.54 2wsi h GLN 67 CO 0.03 0.57 0.21 0.28 -1.93 0.00 0.00 178.83 177.99 2wsi h VAL 68 N 0.23 1.00 -0.70 2.39 2.07 -0.91 -0.73 116.25 119.60 2wsi h VAL 68 Ca 0.08 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.45 2wsi h VAL 68 Cb 0.36 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 2wsi h VAL 68 CO 0.01 0.08 0.45 0.25 0.02 0.00 0.00 177.57 178.37 2wsi h LEU 69 N 0.43 0.82 -0.73 2.57 5.85 -1.19 -1.24 115.31 121.83 2wsi h LEU 69 Ca 0.17 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 2wsi h LEU 69 Cb 0.06 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 2wsi h LEU 69 CO -0.11 0.62 0.45 0.25 -0.34 0.00 0.00 178.44 179.31 2wsi h LEU 70 N 0.95 0.87 -0.43 2.25 5.85 -0.08 0.39 115.31 125.12 2wsi h LEU 70 Ca 0.25 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 2wsi h LEU 70 Cb -0.08 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 2wsi h LEU 70 CO -0.05 0.67 0.26 -0.07 -0.34 0.00 0.00 178.44 178.91 2wsi h LEU 71 N 1.00 0.51 -0.95 2.25 3.38 -0.71 -0.30 115.31 120.48 2wsi h LEU 71 Ca 0.26 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 2wsi h LEU 71 Cb -0.05 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 2wsi h LEU 71 CO -0.05 0.40 0.28 -0.07 0.09 0.00 0.00 178.44 179.08 2wsi h LEU 72 N 0.57 0.95 -0.39 1.67 3.38 -0.63 -1.46 115.31 119.40 2wsi h LEU 72 Ca 0.15 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 2wsi h LEU 72 Cb -0.02 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2wsi h LEU 72 CO -0.03 0.85 0.05 0.22 0.09 0.00 0.00 178.44 179.62 2wsi h TYR 73 N 1.01 0.70 -0.64 1.13 3.20 0.10 -0.70 116.97 121.77 2wsi h TYR 73 Ca 0.23 -0.10 -0.09 0.00 3.14 0.00 0.00 58.73 61.92 2wsi h TYR 73 Cb 0.20 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 2wsi h TYR 73 CO 0.02 0.70 0.06 -0.07 -1.64 0.00 0.00 178.16 177.22 2wsi h LEU 74 N 0.50 1.05 -0.55 2.82 3.38 -0.90 0.23 115.31 121.83 2wsi h LEU 74 Ca 0.12 -0.28 0.06 0.00 0.09 0.00 0.00 57.88 57.87 2wsi h LEU 74 Cb 0.38 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 2wsi h LEU 74 CO 0.01 1.07 0.26 -1.28 0.09 0.00 0.00 178.44 178.59 2wsi h SER 75 N 0.99 0.35 0.49 -0.43 0.87 -0.96 -1.66 113.55 113.22 2wsi h SER 75 Ca 0.19 0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.70 2wsi h SER 75 Cb 0.49 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 2wsi h SER 75 CO 0.02 0.24 -0.42 0.00 -0.53 0.00 0.00 176.83 176.14 2wsi h LEU 77 N 0.00 1.02 0.29 0.00 5.85 0.11 0.14 115.31 122.72 2wsi h LEU 77 Ca -0.00 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 2wsi h LEU 77 Cb 0.78 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 2wsi h LEU 77 CO 0.05 1.00 -0.19 -0.25 -0.34 0.00 0.00 178.44 178.71 2wsi h TRP 78 N 1.00 -0.51 -0.78 1.25 2.91 -1.08 -2.34 115.95 116.39 2wsi h TRP 78 Ca 0.21 -0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.25 2wsi h TRP 78 Cb 0.39 0.19 -0.04 0.00 -0.51 0.00 0.00 29.16 29.19 2wsi h TRP 78 CO 0.03 -0.30 0.52 1.49 -1.03 0.00 0.00 178.44 179.15 2wsi h GLU 79 N -0.47 0.97 -0.93 2.65 4.81 -1.28 -2.61 114.58 117.73 2wsi h GLU 79 Ca -0.02 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2wsi h GLU 79 Cb 0.40 -0.22 -0.05 0.00 0.63 0.00 0.00 28.75 29.52 2wsi h GLU 79 CO 0.01 0.64 0.61 -0.92 -0.73 0.00 0.00 179.01 178.63 2wsi h TYR 80 N 1.00 1.16 -0.80 0.92 3.20 -0.41 -1.38 116.97 120.66 2wsi h TYR 80 Ca 0.30 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.20 2wsi h TYR 80 Cb -0.02 -0.39 -0.04 0.00 1.54 0.00 0.00 36.73 37.82 2wsi h TYR 80 CO -0.00 0.72 0.50 0.35 -1.64 0.00 0.00 178.16 178.09 2wsi h PHE 81 N 1.24 1.03 -0.02 -3.82 3.57 -1.02 -0.40 116.94 117.52 2wsi h PHE 81 Ca 0.35 0.01 -0.25 0.00 3.53 0.00 0.00 57.97 61.61 2wsi h PHE 81 Cb -0.11 -0.34 0.01 0.00 2.79 0.00 0.00 35.95 38.30 2wsi h PHE 81 CO -0.00 0.67 -0.98 0.74 -2.23 0.00 0.00 178.31 176.51 2wsi h PHE 82 N 1.09 0.89 -0.53 0.41 0.04 -1.36 -1.75 116.94 115.74 2wsi h PHE 82 Ca 0.29 -0.48 0.03 0.00 2.80 0.00 0.00 57.97 60.61 2wsi h PHE 82 Cb -0.08 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 37.93 2wsi h PHE 82 CO -0.01 1.31 0.30 0.82 -0.60 0.00 0.00 178.31 180.13 2wsi h ILE 83 N 0.35 1.03 -0.16 -0.55 2.04 -1.12 0.16 117.51 119.27 2wsi h ILE 83 Ca -0.10 -0.21 -0.18 0.00 1.00 0.00 0.00 64.86 65.37 2wsi h ILE 83 Cb 1.62 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 38.08 2wsi h ILE 83 CO 0.19 0.11 -0.64 0.07 0.00 0.00 0.00 178.15 177.87 2wsi h LYS 84 N 0.60 0.59 -0.70 2.37 2.10 -1.02 -1.45 116.57 119.05 2wsi h LYS 84 Ca 0.22 -0.42 0.02 0.00 -2.00 0.00 0.00 60.65 58.47 2wsi h LYS 84 Cb 0.05 0.07 -0.04 0.00 -0.90 0.00 0.00 32.23 31.41 2wsi h LYS 84 CO -0.11 1.04 0.45 0.00 -2.00 0.00 0.00 179.45 178.83 2wsi h ALA 85 N 0.86 0.91 0.00 0.07 0.00 -1.07 -1.36 119.26 118.66 2wsi h ALA 85 Ca -0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2wsi h ALA 85 Cb 1.22 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2wsi h ALA 85 CO 0.12 0.26 -0.18 0.37 0.00 0.00 0.00 179.25 179.82 2wsi h GLN 86 N 0.90 0.00 -0.09 0.00 4.15 -0.20 -2.93 115.11 116.94 2wsi h GLN 86 Ca 0.27 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.69 2wsi h GLN 86 Cb -0.03 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.66 2wsi h GLN 86 CO -0.09 0.18 0.00 0.09 -1.93 0.00 0.00 178.83 177.08 2wsi n ASN 87 N -4.29 2.93 0.00 -0.69 3.02 -0.59 -5.09 115.26 110.54 2wsi n ASN 87 Ca -0.02 -1.92 0.00 0.00 -0.03 0.00 0.00 54.58 52.60 2wsi n ASN 87 Cb 0.24 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 2wsi n ASN 87 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2wsi n SER 88 N 1.26 0.00 -4.52 6.41 3.41 -0.57 -5.06 113.62 114.56 2wsi n SER 88 Ca 0.14 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.41 2wsi n SER 88 Cb 0.55 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.38 2wsi n SER 88 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2wsi s PHE 97 N 0.24 2.95 0.41 7.33 5.36 -1.26 -5.03 117.98 127.99 2wsi s PHE 97 Ca 0.00 -0.20 -0.26 0.00 -0.96 0.00 0.00 56.93 55.52 2wsi s PHE 97 Cb 0.00 -1.83 -0.09 0.00 -0.34 0.00 0.00 43.02 40.77 2wsi s PHE 97 CO 0.00 0.11 1.32 -1.25 -1.46 0.00 0.00 175.22 173.94 2wsi s PRO 98 N -0.19 3.92 -0.65 10.12 0.04 -1.26 -4.94 135.00 142.04 2wsi s PRO 98 Ca 0.03 2.19 -0.20 0.00 0.04 0.00 0.00 61.00 63.06 2wsi s PRO 98 Cb -0.13 -2.73 0.10 0.00 0.04 0.00 0.00 34.50 31.78 2wsi s PRO 98 CO 0.03 -0.55 0.81 1.41 0.04 0.00 0.00 177.00 178.74 2wsi s MET 99 N -2.28 3.14 0.30 4.56 1.75 -1.26 -4.65 119.30 120.86 2wsi s MET 99 Ca 0.58 -1.31 -0.19 0.00 -1.25 0.00 0.00 55.69 53.53 2wsi s MET 99 Cb -0.39 -4.33 0.06 0.00 2.84 0.00 0.00 34.83 33.01 2wsi s MET 99 CO 0.50 -1.62 0.89 1.14 -0.65 0.00 0.00 175.02 175.28 2wsi s GLN 100 N 2.90 1.84 0.21 4.11 -2.07 -1.26 -5.12 119.66 120.27 2wsi s GLN 100 Ca 0.16 -1.18 0.08 0.00 -1.82 0.00 0.00 55.36 52.61 2wsi s GLN 100 Cb -0.20 0.52 -0.04 0.00 -1.09 0.00 0.00 33.01 32.20 2wsi s GLN 100 CO 0.05 -0.86 0.01 1.03 -1.32 0.00 0.00 175.29 174.20 2wsi s ARG 101 N -2.30 2.41 -0.21 9.60 0.52 -1.26 -4.30 118.95 123.40 2wsi s ARG 101 Ca 0.18 -1.20 -0.23 0.00 -0.52 0.00 0.00 55.73 53.96 2wsi s ARG 101 Cb -0.04 -2.31 -0.02 0.00 0.52 0.00 0.00 34.95 33.10 2wsi s ARG 101 CO 0.09 0.42 0.72 -1.17 0.02 0.00 0.00 175.30 175.37 2wsi s LEU 102 N -3.26 4.13 0.13 2.53 2.96 -0.24 -4.61 118.68 120.32 2wsi s LEU 102 Ca 0.29 0.93 -0.31 0.00 -0.22 0.00 0.00 54.13 54.82 2wsi s LEU 102 Cb -0.08 -3.03 -0.09 0.00 0.50 0.00 0.00 46.19 43.49 2wsi s LEU 102 CO 0.19 -0.37 1.52 -2.84 -1.32 0.00 0.00 176.35 173.54 2wsi s PRO 103 N 2.24 4.25 -0.01 0.98 0.02 -1.26 -0.24 135.00 140.98 2wsi s PRO 103 Ca 0.32 2.26 -0.06 0.00 0.02 0.00 0.00 61.00 63.54 2wsi s PRO 103 Cb -0.16 -3.24 0.00 0.00 0.02 0.00 0.00 34.50 31.12 2wsi s PRO 103 CO 0.10 -0.57 0.12 0.99 -0.33 0.00 0.00 177.00 177.31 2wsi s THR 104 N 1.32 0.07 -0.06 0.99 2.01 -0.50 -1.43 115.64 118.04 2wsi s THR 104 Ca 0.69 -0.55 0.02 0.00 0.31 0.00 0.00 61.69 62.15 2wsi s THR 104 Cb -0.41 -0.35 0.01 0.00 0.01 0.00 0.00 72.50 71.76 2wsi s THR 104 CO 0.31 -0.30 -0.11 0.54 -0.69 0.00 0.00 174.62 174.36 2wsi s VAL 105 N -1.05 1.04 -0.12 3.82 0.11 0.19 -1.01 120.40 123.38 2wsi s VAL 105 Ca -0.11 -0.43 0.01 0.00 -2.93 0.00 0.00 61.98 58.51 2wsi s VAL 105 Cb -0.06 -0.96 0.02 0.00 -1.53 0.00 0.00 36.38 33.85 2wsi s VAL 105 CO 0.01 0.33 -0.13 0.12 -3.33 0.00 0.00 175.10 172.10 2wsi s PHE 106 N 0.65 1.88 -0.44 1.54 5.36 0.39 -1.46 117.98 125.91 2wsi s PHE 106 Ca -0.13 -0.96 -0.20 0.00 -0.96 0.00 0.00 56.93 54.68 2wsi s PHE 106 Cb -0.15 -1.41 0.02 0.00 -0.34 0.00 0.00 43.02 41.14 2wsi s PHE 106 CO 0.03 -0.54 0.63 0.42 -1.46 0.00 0.00 175.22 174.30 2wsi s ILE 107 N 1.32 4.85 -0.04 3.12 -1.09 -1.26 -2.16 121.20 125.93 2wsi s ILE 107 Ca -0.00 0.06 -0.17 0.00 -2.23 0.00 0.00 60.65 58.31 2wsi s ILE 107 Cb -0.14 -4.20 -0.05 0.00 -1.58 0.00 0.00 42.46 36.49 2wsi s ILE 107 CO -0.06 -0.59 0.47 -0.62 -1.23 0.00 0.00 174.94 172.91 2wsi s ASP 108 N 2.00 6.81 0.28 3.58 2.15 -1.26 -4.95 116.67 125.28 2wsi s ASP 108 Ca 0.22 0.96 0.05 0.00 0.43 0.00 0.00 52.55 54.20 2wsi s ASP 108 Cb -0.14 -2.29 -0.06 0.00 -0.30 0.00 0.00 42.92 40.13 2wsi s ASP 108 CO 0.18 0.17 -0.00 -1.10 -0.17 0.00 0.00 175.17 174.25 2wsi s GLN 109 N -0.32 1.54 0.36 4.34 -0.21 -1.26 -3.87 119.66 120.24 2wsi s GLN 109 Ca 0.26 -1.81 0.06 0.00 0.02 0.00 0.00 55.36 53.89 2wsi s GLN 109 Cb -0.17 -0.92 0.67 0.00 1.00 0.00 0.00 33.01 33.60 2wsi s GLN 109 CO 0.13 -0.08 1.88 0.93 -2.12 0.00 0.00 175.29 176.04 2wsi h GLU 110 N 2.26 0.40 -0.43 2.91 4.39 -1.95 -2.36 114.58 119.80 2wsi h GLU 110 Ca -0.40 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.21 2wsi h GLU 110 Cb 1.23 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 2wsi h GLU 110 CO 0.68 0.48 0.00 0.39 -1.16 0.00 0.00 179.01 179.40 2wsi n GLU 111 N -4.27 1.99 -2.30 2.33 -0.58 -1.26 -4.92 120.64 111.63 2wsi n GLU 111 Ca 0.00 -1.32 -0.42 0.00 -0.42 0.00 0.00 57.16 55.01 2wsi n GLU 111 Cb 0.26 -1.37 -0.03 0.00 -0.57 0.00 0.00 31.44 29.73 2wsi n GLU 111 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2wsi s THR 112 N -1.57 3.60 0.25 2.62 2.01 -0.89 0.33 115.64 121.97 2wsi s THR 112 Ca 0.24 1.19 -0.31 0.00 0.31 0.00 0.00 61.69 63.13 2wsi s THR 112 Cb 0.14 -3.76 -0.11 0.00 0.01 0.00 0.00 72.50 68.77 2wsi s THR 112 CO 0.15 0.12 1.61 -0.36 -0.69 0.00 0.00 174.62 175.45 2wsi s PHE 113 N 0.78 2.86 0.41 4.92 0.08 -1.26 -4.84 117.98 120.93 2wsi s PHE 113 Ca 0.60 0.67 0.09 0.00 0.12 0.00 0.00 56.93 58.41 2wsi s PHE 113 Cb -0.33 -4.04 0.89 0.00 -0.57 0.00 0.00 43.02 38.97 2wsi s PHE 113 CO 0.32 -3.66 2.01 -1.35 -0.10 0.00 0.00 175.22 172.44 2wsi h PRO 114 N 5.65 0.53 -0.83 0.24 0.11 -1.98 -1.32 132.00 134.40 2wsi h PRO 114 Ca -0.45 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.64 2wsi h PRO 114 Cb 1.21 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 2wsi h PRO 114 CO 0.85 0.35 0.55 1.15 -0.21 0.00 0.00 178.00 180.69 2wsi h THR 115 N 0.55 1.21 -0.00 -1.15 2.02 -1.90 -0.58 112.91 113.05 2wsi h THR 115 Ca 0.23 -0.39 -0.14 0.00 0.77 0.00 0.00 66.41 66.89 2wsi h THR 115 Cb 0.21 -0.01 0.01 0.00 -1.74 0.00 0.00 68.15 66.62 2wsi h THR 115 CO -0.06 0.20 -0.53 0.25 0.37 0.00 0.00 175.52 175.75 2wsi h LEU 116 N 1.12 0.47 -0.63 2.58 5.85 -1.66 -2.17 115.31 120.87 2wsi h LEU 116 Ca 0.31 -0.76 0.10 0.00 0.84 0.00 0.00 57.88 58.36 2wsi h LEU 116 Cb -0.12 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 40.69 2wsi h LEU 116 CO -0.07 1.17 0.24 -0.33 -0.34 0.00 0.00 178.44 179.11 2wsi h GLU 117 N -0.18 0.40 -0.69 1.25 5.08 -1.08 0.36 114.58 119.72 2wsi h GLU 117 Ca -0.07 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 2wsi h GLU 117 Cb 1.25 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 2wsi h GLU 117 CO 0.11 0.26 0.23 -0.91 -1.00 0.00 0.00 179.01 177.70 2wsi h ASN 118 N 0.41 1.00 -0.83 1.42 2.35 -1.10 -1.98 115.58 116.86 2wsi h ASN 118 Ca 0.32 -0.20 -0.04 0.00 -0.55 0.00 0.00 56.30 55.84 2wsi h ASN 118 Cb 0.42 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.49 2wsi h ASN 118 CO -0.33 0.93 0.38 0.15 -1.65 0.00 0.00 177.43 176.91 2wsi h PHE 119 N 1.01 1.22 -0.36 1.19 3.57 -0.71 -0.99 116.94 121.88 2wsi h PHE 119 Ca 0.23 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 2wsi h PHE 119 Cb 0.28 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 2wsi h PHE 119 CO 0.02 0.90 0.19 0.28 -2.23 0.00 0.00 178.31 177.47 2wsi h VAL 120 N 1.19 1.15 -0.18 1.41 2.07 -0.56 -0.18 116.25 121.15 2wsi h VAL 120 Ca 0.28 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 2wsi h VAL 120 Cb 0.16 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2wsi h VAL 120 CO -0.03 0.16 0.09 -0.07 0.02 0.00 0.00 177.57 177.74 2wsi h LEU 121 N 0.45 0.23 -0.67 2.57 3.38 -1.18 0.91 115.31 121.00 2wsi h LEU 121 Ca 0.13 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2wsi h LEU 121 Cb 0.08 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2wsi h LEU 121 CO -0.02 0.26 0.28 -0.33 0.09 0.00 0.00 178.44 178.73 2wsi h GLU 122 N 0.18 0.98 0.00 1.13 4.39 -1.06 -2.51 114.58 117.69 2wsi h GLU 122 Ca 0.06 -0.17 -0.08 0.00 0.34 0.00 0.00 59.36 59.51 2wsi h GLU 122 Cb 0.09 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 2wsi h GLU 122 CO -0.01 0.81 -0.39 1.79 -1.16 0.00 0.00 179.01 180.05 2wsi h THR 123 N 0.94 0.69 -0.67 1.13 1.35 -0.93 -1.15 112.91 114.26 2wsi h THR 123 Ca 0.22 -1.91 0.00 0.00 -0.55 0.00 0.00 66.41 64.17 2wsi h THR 123 Cb 0.18 2.29 -0.03 0.00 -1.73 0.00 0.00 68.15 68.86 2wsi h THR 123 CO -0.02 0.38 0.42 0.28 -0.25 0.00 0.00 175.52 176.33 2wsi h SER 124 N 0.00 0.79 0.10 5.36 0.02 -0.54 -0.03 113.55 119.25 2wsi h SER 124 Ca -0.00 -0.03 -0.27 0.00 -0.84 0.00 0.00 61.79 60.64 2wsi h SER 124 Cb 1.26 -0.20 0.02 0.00 0.14 0.00 0.00 62.40 63.63 2wsi h SER 124 CO 0.05 0.60 -1.11 -0.33 -1.14 0.00 0.00 176.83 174.90 2wsi h GLU 125 N 0.92 0.64 -0.60 3.45 4.39 -1.00 -0.06 114.58 122.32 2wsi h GLU 125 Ca 0.24 -0.74 0.00 0.00 0.34 0.00 0.00 59.36 59.20 2wsi h GLU 125 Cb -0.06 0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 2wsi h GLU 125 CO -0.05 1.32 0.38 -0.09 -1.16 0.00 0.00 179.01 179.41 2wsi h ARG 126 N 0.33 0.80 -0.48 2.33 2.43 -0.96 -2.11 114.38 116.73 2wsi h ARG 126 Ca -0.14 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 2wsi h ARG 126 Cb 1.77 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 31.14 2wsi h ARG 126 CO 0.21 0.55 0.00 0.66 -1.51 0.00 0.00 179.97 179.88 2wsi n TYR 127 N -4.65 0.62 -3.42 2.20 4.01 -0.05 -1.79 117.16 114.09 2wsi n TYR 127 Ca 0.04 -0.31 -0.18 0.00 -0.16 0.00 0.00 57.90 57.30 2wsi n TYR 127 Cb 0.04 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.14 2wsi n TYR 127 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2wsi s LEU 129 N -6.10 4.50 -0.58 0.00 1.43 -0.12 -1.08 118.68 116.74 2wsi s LEU 129 Ca 0.17 1.16 -0.19 0.00 -1.03 0.00 0.00 54.13 54.24 2wsi s LEU 129 Cb -0.03 -2.79 0.09 0.00 0.03 0.00 0.00 46.19 43.49 2wsi s LEU 129 CO 0.75 0.28 0.70 -0.55 0.23 0.00 0.00 176.35 177.76 2wsi s SER 130 N -1.03 6.19 -0.31 2.29 0.15 0.67 -4.73 113.70 116.94 2wsi s SER 130 Ca 0.27 -1.28 -0.18 0.00 0.70 0.00 0.00 55.95 55.47 2wsi s SER 130 Cb -0.18 -2.31 -0.02 0.00 -1.71 0.00 0.00 66.02 61.80 2wsi s SER 130 CO 0.17 -1.09 0.51 -0.22 1.20 0.00 0.00 173.24 173.81 2wsi s LEU 131 N 2.77 4.19 -0.18 3.45 2.96 -1.26 -1.41 118.68 129.19 2wsi s LEU 131 Ca 0.13 0.23 -0.25 0.00 -0.22 0.00 0.00 54.13 54.02 2wsi s LEU 131 Cb -0.22 -2.61 -0.01 0.00 0.50 0.00 0.00 46.19 43.84 2wsi s LEU 131 CO 0.08 -0.38 0.84 -0.47 -1.32 0.00 0.00 176.35 175.09 2wsi s TYR 132 N 2.35 3.40 -0.20 5.38 5.04 -0.18 -5.00 117.35 128.14 2wsi s TYR 132 Ca 0.20 1.24 0.01 0.00 -2.44 0.00 0.00 57.07 56.08 2wsi s TYR 132 Cb -0.15 -3.03 0.03 0.00 0.35 0.00 0.00 41.96 39.16 2wsi s TYR 132 CO 0.11 -0.27 -0.17 -2.00 -1.34 0.00 0.00 175.55 171.88 2wsi s GLU 133 N 2.29 2.70 0.98 4.97 2.12 -1.26 -0.46 118.70 130.04 2wsi s GLU 133 Ca 0.38 -0.93 -0.12 0.00 0.36 0.00 0.00 54.97 54.65 2wsi s GLU 133 Cb -0.16 -2.60 0.11 0.00 0.26 0.00 0.00 34.13 31.73 2wsi s GLU 133 CO 0.11 -0.31 0.68 -1.13 -0.54 0.00 0.00 175.26 174.08 2wsi n SER 134 N 4.59 -1.23 -4.69 -1.70 3.41 -0.92 -4.92 113.62 108.16 2wsi n SER 134 Ca -0.19 0.27 -0.39 0.00 -0.26 0.00 0.00 58.87 58.30 2wsi n SER 134 Cb 0.48 -1.28 -0.06 0.00 -0.26 0.00 0.00 64.21 63.09 2wsi n SER 134 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2wsi s GLN 135 N -4.04 4.29 -0.26 4.33 1.11 -1.26 -4.19 119.66 119.63 2wsi s GLN 135 Ca 0.61 0.56 -0.28 0.00 0.01 0.00 0.00 55.36 56.26 2wsi s GLN 135 Cb -0.21 -3.51 -0.04 0.00 -1.01 0.00 0.00 33.01 28.24 2wsi s GLN 135 CO 0.64 -0.04 2.10 -0.98 0.01 0.00 0.00 175.29 177.01 2wsi s ARG 136 N 1.25 3.16 0.14 2.91 1.70 -1.25 -4.90 118.95 121.97 2wsi s ARG 136 Ca 0.28 1.83 0.00 0.00 -0.47 0.00 0.00 55.73 57.37 2wsi s ARG 136 Cb -0.16 -4.33 0.00 0.00 -0.57 0.00 0.00 34.95 29.90 2wsi s ARG 136 CO 0.11 -2.06 0.00 0.28 -1.08 0.00 0.00 175.30 172.55 2wsi n VAL 142 N 7.67 0.00 -3.65 4.99 0.31 -1.26 -4.12 118.33 122.26 2wsi n VAL 142 Ca 0.28 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 64.24 2wsi n VAL 142 Cb 0.46 -0.28 -0.07 0.00 -0.91 0.00 0.00 33.84 33.04 2wsi n VAL 142 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2wsi s ASN 143 N -3.69 6.45 0.20 4.52 0.01 -1.26 -5.01 114.94 116.16 2wsi s ASN 143 Ca 0.00 0.53 -0.07 0.00 -0.71 0.00 0.00 52.86 52.61 2wsi s ASN 143 Cb 0.00 -2.15 0.12 0.00 0.41 0.00 0.00 41.25 39.63 2wsi s ASN 143 CO 0.00 0.23 1.67 0.24 -1.51 0.00 0.00 177.10 177.73 2wsi h MET 144 N 5.90 1.02 -0.91 -0.60 2.86 -2.04 -1.64 114.93 119.53 2wsi h MET 144 Ca -0.46 -0.32 0.18 0.00 -2.06 0.00 0.00 59.70 57.04 2wsi h MET 144 Cb 1.19 -0.10 -0.11 0.00 0.06 0.00 0.00 31.60 32.64 2wsi h MET 144 CO 0.69 1.00 0.48 0.00 1.06 0.00 0.00 176.91 180.14 2wsi h ALA 145 N 1.05 1.45 0.01 6.32 0.00 -1.96 -1.19 119.26 124.95 2wsi h ALA 145 Ca 0.17 0.11 -0.27 0.00 0.00 0.00 0.00 54.91 54.92 2wsi h ALA 145 Cb 0.54 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.37 2wsi h ALA 145 CO 0.03 -0.16 -1.05 -0.44 0.00 0.00 0.00 179.25 177.62 2wsi h ASP 146 N 0.59 0.87 -0.81 0.00 3.32 -1.74 -1.13 116.42 117.52 2wsi h ASP 146 Ca 0.53 -0.71 0.10 0.00 0.02 0.00 0.00 57.03 56.97 2wsi h ASP 146 Cb 0.87 -0.27 -0.08 0.00 0.22 0.00 0.00 39.33 40.07 2wsi h ASP 146 CO -0.42 1.51 0.45 0.00 -1.72 0.00 0.00 179.24 179.06 2wsi h ALA 147 N 0.43 1.16 0.00 3.45 0.00 -0.81 -0.84 119.26 122.65 2wsi h ALA 147 Ca -0.13 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 2wsi h ALA 147 Cb 1.71 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 2wsi h ALA 147 CO 0.20 0.04 -0.69 0.74 0.00 0.00 0.00 179.25 179.55 2wsi h PHE 148 N 0.73 0.00 -0.58 0.00 -1.00 -1.12 -2.16 116.94 112.80 2wsi h PHE 148 Ca 0.40 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 61.14 2wsi h PHE 148 Cb 0.41 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.95 2wsi h PHE 148 CO -0.07 0.69 0.22 -0.09 -1.61 0.00 0.00 178.31 177.45 2wsi h ARG 149 N 0.00 0.88 -0.70 1.51 2.43 -0.33 -0.23 114.38 117.94 2wsi h ARG 149 Ca -0.01 -0.17 -0.07 0.00 -0.81 0.00 0.00 59.98 58.93 2wsi h ARG 149 Cb 1.40 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.78 2wsi h ARG 149 CO 0.09 0.76 0.17 -0.44 -1.51 0.00 0.00 179.97 179.04 2wsi h ASP 150 N 0.81 1.07 -0.12 -3.80 3.32 -1.08 -1.70 116.42 114.92 2wsi h ASP 150 Ca 0.19 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2wsi h ASP 150 Cb 0.22 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 2wsi h ASP 150 CO -0.01 1.03 0.08 0.15 -1.72 0.00 0.00 179.24 178.76 2wsi h PHE 151 N 1.07 0.15 0.00 4.55 3.57 -0.84 -2.19 116.94 123.25 2wsi h PHE 151 Ca 0.22 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 2wsi h PHE 151 Cb 0.38 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 2wsi h PHE 151 CO 0.03 0.09 -0.25 0.82 -2.23 0.00 0.00 178.31 176.78 2wsi h ILE 152 N 0.16 1.17 -0.31 1.41 1.08 -0.89 0.48 117.51 120.61 2wsi h ILE 152 Ca 0.04 -0.85 -0.14 0.00 -0.39 0.00 0.00 64.86 63.52 2wsi h ILE 152 Cb -0.02 1.46 -0.01 0.00 -3.07 0.00 0.00 36.82 35.19 2wsi h ILE 152 CO -0.01 0.24 -0.38 0.50 -0.69 0.00 0.00 178.15 177.82 2wsi h LYS 153 N 0.00 0.72 -0.12 2.37 3.64 -0.79 -2.06 116.57 120.33 2wsi h LYS 153 Ca -0.00 -0.36 -0.19 0.00 -1.27 0.00 0.00 60.65 58.82 2wsi h LYS 153 Cb 0.44 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2wsi h LYS 153 CO 0.03 0.98 -0.72 0.82 -2.27 0.00 0.00 179.45 178.29 2wsi h ILE 154 N 0.60 1.34 -2.29 2.00 2.04 -0.77 -3.38 117.51 117.05 2wsi h ILE 154 Ca 0.05 -2.04 -0.60 0.00 1.00 0.00 0.00 64.86 63.27 2wsi h ILE 154 Cb 0.91 2.03 -0.41 0.00 -0.74 0.00 0.00 36.82 38.60 2wsi h ILE 154 CO 0.08 0.63 -0.68 -1.22 0.00 0.00 0.00 178.15 176.96 2wsi n TYR 155 N -3.88 2.80 0.30 1.37 4.01 0.09 -4.93 117.16 116.92 2wsi n TYR 155 Ca -0.05 -4.06 0.17 0.00 -0.16 0.00 0.00 57.90 53.81 2wsi n TYR 155 Cb 0.71 -0.51 0.78 0.00 -0.31 0.00 0.00 39.34 40.01 2wsi n TYR 155 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2wsi h PRO 156 N 4.37 0.00 0.00 -0.72 0.13 -1.56 -1.71 132.00 132.51 2wsi h PRO 156 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2wsi h PRO 156 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2wsi h PRO 156 CO 0.74 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.66 2wsi n GLU 157 N -2.87 0.12 -1.93 0.86 0.00 -1.26 -4.73 120.64 110.82 2wsi n GLU 157 Ca -0.00 0.45 -0.42 0.00 0.00 0.00 0.00 57.16 57.18 2wsi n GLU 157 Cb 0.21 -1.77 -0.03 0.00 0.00 0.00 0.00 31.44 29.86 2wsi n GLU 157 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 2wsi s THR 158 N -3.27 3.46 -0.07 3.84 2.01 -0.64 -4.51 115.64 116.46 2wsi s THR 158 Ca 0.03 0.54 0.18 0.00 0.31 0.00 0.00 61.69 62.75 2wsi s THR 158 Cb 0.07 -3.39 -0.27 0.00 0.01 0.00 0.00 72.50 68.93 2wsi s THR 158 CO 0.27 -0.09 0.31 -0.62 -0.69 0.00 0.00 174.62 173.81 2wsi n GLU 159 N 7.42 0.73 -3.61 4.92 1.02 0.64 -4.95 120.64 126.81 2wsi n GLU 159 Ca 0.19 -0.13 -0.16 0.00 -0.02 0.00 0.00 57.16 57.04 2wsi n GLU 159 Cb 0.43 -1.45 -0.07 0.00 -0.02 0.00 0.00 31.44 30.33 2wsi n GLU 159 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wsi s ALA 160 N -3.06 -1.36 -0.05 0.62 0.00 -0.77 -1.33 121.76 115.81 2wsi s ALA 160 Ca -0.07 0.88 0.02 0.00 0.00 0.00 0.00 51.96 52.79 2wsi s ALA 160 Cb 0.10 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.30 2wsi s ALA 160 CO 0.77 -0.34 -0.09 0.42 0.00 0.00 0.00 175.76 176.51 2wsi s ILE 161 N -1.35 0.87 0.06 0.00 1.01 -0.48 -1.75 121.20 119.56 2wsi s ILE 161 Ca -0.11 -0.33 -0.26 0.00 0.00 0.00 0.00 60.65 59.94 2wsi s ILE 161 Cb -0.02 -0.83 -0.05 0.00 0.01 0.00 0.00 42.46 41.57 2wsi s ILE 161 CO 0.07 0.30 0.81 -0.69 0.00 0.00 0.00 174.94 175.43 2wsi s VAL 162 N 0.73 4.68 -0.05 2.92 1.01 -0.29 -1.46 120.40 127.95 2wsi s VAL 162 Ca -0.13 1.74 0.00 0.00 0.00 0.00 0.00 61.98 63.59 2wsi s VAL 162 Cb -0.15 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 32.09 2wsi s VAL 162 CO 0.02 0.35 -0.02 -0.63 0.00 0.00 0.00 175.10 174.82 2wsi s ILE 163 N -0.01 0.39 -0.17 2.22 1.01 0.09 -0.91 121.20 123.83 2wsi s ILE 163 Ca 0.41 0.01 0.01 0.00 0.00 0.00 0.00 60.65 61.08 2wsi s ILE 163 Cb -0.21 -0.48 0.20 0.00 0.01 0.00 0.00 42.46 41.98 2wsi s ILE 163 CO 0.25 0.22 1.49 0.61 0.00 0.00 0.00 174.94 177.50 2wsi n GLY 164 N 4.43 3.02 3.77 6.18 0.00 -1.26 -4.40 105.19 116.93 2wsi n GLY 164 Ca -0.19 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 2wsi n GLY 164 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2wsi s ILE 165 N -1.21 3.09 0.18 -0.61 2.07 -1.26 -4.50 121.20 118.96 2wsi s ILE 165 Ca 0.19 0.89 -0.02 0.00 -1.41 0.00 0.00 60.65 60.31 2wsi s ILE 165 Cb 0.16 -3.49 0.01 0.00 0.13 0.00 0.00 42.46 39.26 2wsi s ILE 165 CO 0.03 0.07 0.26 -2.11 -1.91 0.00 0.00 174.94 171.28 2wsi n ARG 166 N -0.05 0.38 -2.65 3.50 1.85 -1.26 -3.68 116.66 114.76 2wsi n ARG 166 Ca 0.05 -1.37 -0.43 0.00 -1.00 0.00 0.00 57.85 55.10 2wsi n ARG 166 Cb 0.46 1.36 -0.02 0.00 -1.05 0.00 0.00 32.46 33.22 2wsi n ARG 166 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 2wsi s HIS 167 N -4.17 3.21 -0.03 2.89 3.76 -1.24 -4.85 115.29 114.86 2wsi s HIS 167 Ca 0.14 1.28 0.04 0.00 -0.15 0.00 0.00 55.06 56.37 2wsi s HIS 167 Cb -0.01 -3.55 0.07 0.00 1.11 0.00 0.00 32.58 30.20 2wsi s HIS 167 CO 0.10 -0.67 0.92 0.25 -0.85 0.00 0.00 174.74 174.48 2wsi n THR 168 N 5.69 0.83 -3.71 1.30 -2.24 -1.26 -4.90 114.28 109.99 2wsi n THR 168 Ca 0.12 -0.92 -0.10 0.00 -2.27 0.00 0.00 64.05 60.88 2wsi n THR 168 Cb 0.47 0.44 -0.04 0.00 -2.10 0.00 0.00 70.33 69.10 2wsi n THR 168 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2wsi s ASP 169 N -1.20 -0.24 0.00 3.42 1.47 -1.26 -4.61 116.67 114.25 2wsi s ASP 169 Ca 0.08 -0.45 0.27 0.00 1.18 0.00 0.00 52.55 53.63 2wsi s ASP 169 Cb 0.07 0.53 1.33 0.00 -0.34 0.00 0.00 42.92 44.51 2wsi s ASP 169 CO 0.01 -0.97 1.92 -0.81 0.68 0.00 0.00 175.17 175.99 2wsi n PRO 170 N -0.29 0.31 -2.06 2.11 -0.04 -1.26 -4.87 135.00 128.90 2wsi n PRO 170 Ca -0.12 0.03 -0.41 0.00 -0.04 0.00 0.00 63.50 62.97 2wsi n PRO 170 Cb 0.63 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.57 2wsi n PRO 170 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2wsi s PHE 171 N -2.66 2.95 0.18 0.54 0.08 -1.26 -4.95 117.98 112.87 2wsi s PHE 171 Ca 0.23 1.37 -0.33 0.00 0.12 0.00 0.00 56.93 58.32 2wsi s PHE 171 Cb 0.18 -3.74 -0.14 0.00 -0.57 0.00 0.00 43.02 38.75 2wsi s PHE 171 CO 0.43 -2.07 1.49 0.41 -0.10 0.00 0.00 175.22 175.38 2wsi n GLY 172 N 0.73 0.92 0.00 4.36 0.00 -1.26 -4.89 105.19 105.05 2wsi n GLY 172 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.63 2wsi n GLY 172 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wsi n GLU 173 N 2.85 2.23 -2.98 1.61 1.02 -1.26 -5.07 120.64 119.04 2wsi n GLU 173 Ca 0.15 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.17 2wsi n GLU 173 Cb 0.28 -0.81 0.06 0.00 -0.02 0.00 0.00 31.44 30.95 2wsi n GLU 173 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wsi n ALA 174 N -1.50 -2.08 -2.77 0.62 0.00 -1.26 -5.03 120.51 108.49 2wsi n ALA 174 Ca 0.00 0.09 -0.32 0.00 0.00 0.00 0.00 53.44 53.21 2wsi n ALA 174 Cb 0.31 -4.50 -0.07 0.00 0.00 0.00 0.00 19.45 15.19 2wsi n ALA 174 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wsi s LEU 175 N -5.07 3.83 0.15 0.00 1.43 -1.26 -5.12 118.68 112.63 2wsi s LEU 175 Ca 0.33 0.08 0.07 0.00 -1.03 0.00 0.00 54.13 53.57 2wsi s LEU 175 Cb -0.04 -2.32 -0.04 0.00 0.03 0.00 0.00 46.19 43.82 2wsi s LEU 175 CO 0.61 0.24 -0.15 -0.54 0.23 0.00 0.00 176.35 176.74 2wsi s LYS 176 N -1.94 1.15 0.32 1.70 1.02 -1.26 -5.06 119.74 115.67 2wsi s LYS 176 Ca 0.25 -1.35 0.00 0.00 0.02 0.00 0.00 55.97 54.90 2wsi s LYS 176 Cb -0.12 -1.06 0.54 0.00 -0.52 0.00 0.00 37.83 36.67 2wsi s LYS 176 CO 0.16 0.20 1.97 -1.35 -0.92 0.00 0.00 175.35 175.42 2wsi h PRO 177 N 3.29 0.92 -4.42 -1.68 0.11 -1.92 -3.38 132.00 124.91 2wsi h PRO 177 Ca -0.40 -0.07 -0.58 0.00 0.11 0.00 0.00 66.00 65.06 2wsi h PRO 177 Cb 1.20 -0.20 -0.37 0.00 0.11 0.00 0.00 31.00 31.74 2wsi h PRO 177 CO 0.53 0.63 -0.81 0.42 -0.21 0.00 0.00 178.00 178.56 2wsi s ILE 178 N -5.73 1.35 -0.18 4.15 1.01 -1.26 -1.02 121.20 119.53 2wsi s ILE 178 Ca -0.11 -0.65 -0.12 0.00 0.00 0.00 0.00 60.65 59.77 2wsi s ILE 178 Cb 0.17 -1.39 0.06 0.00 0.01 0.00 0.00 42.46 41.31 2wsi s ILE 178 CO 0.78 0.29 0.45 -1.58 0.00 0.00 0.00 174.94 174.88 2wsi s GLN 179 N 1.55 0.47 0.62 2.79 0.74 -0.50 -5.00 119.66 120.33 2wsi s GLN 179 Ca 0.02 0.77 -0.18 0.00 0.05 0.00 0.00 55.36 56.03 2wsi s GLN 179 Cb -0.14 0.09 -0.02 0.00 1.10 0.00 0.00 33.01 34.04 2wsi s GLN 179 CO -0.09 -0.12 1.19 1.03 -0.55 0.00 0.00 175.29 176.75 2wsi s ARG 180 N 1.01 2.81 0.84 1.67 1.81 -1.26 0.69 118.95 126.51 2wsi s ARG 180 Ca -0.06 1.76 -0.11 0.00 -1.72 0.00 0.00 55.73 55.60 2wsi s ARG 180 Cb -0.06 -1.92 0.09 0.00 -0.45 0.00 0.00 34.95 32.62 2wsi s ARG 180 CO -0.09 -1.32 1.09 0.95 -0.68 0.00 0.00 175.30 175.26 2wsi s THR 181 N -1.75 2.98 0.92 0.02 -4.23 -1.04 -4.74 115.64 107.81 2wsi s THR 181 Ca 0.76 0.32 -0.14 0.00 -1.18 0.00 0.00 61.69 61.44 2wsi s THR 181 Cb -0.29 -2.79 0.18 0.00 1.34 0.00 0.00 72.50 70.94 2wsi s THR 181 CO 0.36 -0.42 1.28 -1.81 -0.54 0.00 0.00 174.62 173.49 2wsi s ASP 182 N -3.39 3.38 0.43 3.99 1.01 -1.26 -4.94 116.67 115.90 2wsi s ASP 182 Ca 0.62 0.28 0.24 0.00 0.71 0.00 0.00 52.55 54.40 2wsi s ASP 182 Cb -0.18 -0.41 0.42 0.00 1.01 0.00 0.00 42.92 43.77 2wsi s ASP 182 CO 0.57 -2.56 1.64 0.77 0.21 0.00 0.00 175.17 175.79 2wsi h SER 183 N -1.48 0.00 -0.92 0.27 4.64 -1.96 -1.66 113.55 112.44 2wsi h SER 183 Ca -0.44 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.01 2wsi h SER 183 Cb 1.25 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.27 2wsi h SER 183 CO 0.42 0.00 0.59 -1.13 -0.87 0.00 0.00 176.83 175.83 2wsi h ASN 184 N 0.00 0.76 -2.21 4.97 -1.24 -2.05 -3.45 115.58 112.36 2wsi h ASN 184 Ca 0.00 0.04 -0.45 0.00 0.71 0.00 0.00 56.30 56.60 2wsi h ASN 184 Cb 0.96 -0.11 0.01 0.00 0.73 0.00 0.00 38.32 39.91 2wsi h ASN 184 CO 0.00 0.40 -0.25 0.26 -1.29 0.00 0.00 177.43 176.55 2wsi s TRP 185 N -5.78 3.19 0.73 0.67 0.52 -0.62 -5.01 118.94 112.64 2wsi s TRP 185 Ca -0.11 -0.02 -0.13 0.00 0.02 0.00 0.00 56.10 55.86 2wsi s TRP 185 Cb 0.22 -2.07 0.04 0.00 -1.15 0.00 0.00 33.47 30.51 2wsi s TRP 185 CO 0.79 -0.09 1.13 -1.25 0.02 0.00 0.00 176.95 177.55 2wsi s PRO 186 N -4.30 2.33 -0.38 4.98 0.05 -1.26 -4.80 135.00 131.62 2wsi s PRO 186 Ca 0.45 1.44 -0.29 0.00 0.05 0.00 0.00 61.00 62.65 2wsi s PRO 186 Cb -0.10 -1.89 0.02 0.00 0.05 0.00 0.00 34.50 32.58 2wsi s PRO 186 CO 0.34 -1.62 1.15 0.34 0.05 0.00 0.00 177.00 177.25 2wsi s ASP 187 N -2.66 6.75 0.27 6.66 2.15 -1.26 -4.75 116.67 123.83 2wsi s ASP 187 Ca 0.67 0.85 -0.17 0.00 0.43 0.00 0.00 52.55 54.33 2wsi s ASP 187 Cb -0.22 -2.55 0.01 0.00 -0.30 0.00 0.00 42.92 39.87 2wsi s ASP 187 CO 0.47 -1.08 0.60 0.72 -0.17 0.00 0.00 175.17 175.72 2wsi s PHE 188 N 4.15 0.09 -0.12 -5.34 -0.12 -1.26 -5.01 117.98 110.36 2wsi s PHE 188 Ca 0.49 -0.51 -0.19 0.00 -0.05 0.00 0.00 56.93 56.67 2wsi s PHE 188 Cb -0.11 0.46 -0.04 0.00 -0.63 0.00 0.00 43.02 42.70 2wsi s PHE 188 CO 0.23 -1.13 0.53 1.41 -0.05 0.00 0.00 175.22 176.21 2wsi s MET 189 N -3.92 4.33 -0.06 1.99 -2.45 -0.44 -2.49 119.30 116.26 2wsi s MET 189 Ca 0.17 0.52 -0.27 0.00 -1.25 0.00 0.00 55.69 54.86 2wsi s MET 189 Cb -0.03 -3.46 -0.03 0.00 1.25 0.00 0.00 34.83 32.56 2wsi s MET 189 CO 0.08 0.09 0.87 1.03 1.05 0.00 0.00 175.02 178.14 2wsi s ARG 190 N 0.83 4.47 -0.28 4.11 0.52 0.22 -1.38 118.95 127.44 2wsi s ARG 190 Ca 0.28 1.19 -0.03 0.00 -0.52 0.00 0.00 55.73 56.64 2wsi s ARG 190 Cb -0.16 -3.48 0.03 0.00 0.52 0.00 0.00 34.95 31.86 2wsi s ARG 190 CO 0.11 -0.08 0.00 -0.51 0.02 0.00 0.00 175.30 174.85 2wsi s LEU 191 N 1.20 3.62 -0.46 2.53 1.43 -0.53 -1.41 118.68 125.06 2wsi s LEU 191 Ca 0.45 -0.95 0.09 0.00 -1.03 0.00 0.00 54.13 52.69 2wsi s LEU 191 Cb -0.19 -1.75 0.30 0.00 0.03 0.00 0.00 46.19 44.58 2wsi s LEU 191 CO 0.22 -0.19 0.71 0.00 0.23 0.00 0.00 176.35 177.32 2wsi n GLN 192 N 4.72 1.58 0.00 1.70 6.02 -0.18 -0.73 117.38 130.48 2wsi n GLN 192 Ca -0.15 -3.82 0.15 0.00 -0.01 0.00 0.00 57.00 53.17 2wsi n GLN 192 Cb 0.46 -1.75 0.80 0.00 1.02 0.00 0.00 30.24 30.77 2wsi n GLN 192 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 2wsi n PRO 193 N 0.61 1.09 -0.19 -1.09 -0.05 -1.26 -3.20 135.00 130.91 2wsi n PRO 193 Ca 0.26 -0.26 0.11 0.00 -0.05 0.00 0.00 63.50 63.55 2wsi n PRO 193 Cb 0.53 -1.49 0.27 0.00 -0.05 0.00 0.00 33.50 32.75 2wsi n PRO 193 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 175.50 175.34 2wsi n LEU 194 N -0.73 2.79 0.20 1.53 7.94 -1.26 -4.40 117.00 123.08 2wsi n LEU 194 Ca 0.21 -1.26 0.11 0.00 -1.11 0.00 0.00 56.01 53.96 2wsi n LEU 194 Cb 0.20 -0.25 0.67 0.00 0.53 0.00 0.00 43.42 44.57 2wsi n LEU 194 CO 0.19 0.63 1.10 -0.07 -1.11 0.00 0.00 177.39 178.13 2wsi h LEU 195 N 3.44 0.00 -1.93 -1.96 3.38 -1.62 -1.69 115.31 114.93 2wsi h LEU 195 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wsi h LEU 195 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2wsi h LEU 195 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.94 2wsi n HIS 196 N -4.45 0.56 -2.51 1.13 8.25 -1.26 -3.69 115.22 113.24 2wsi n HIS 196 Ca -0.00 -0.28 -0.41 0.00 -0.26 0.00 0.00 57.72 56.77 2wsi n HIS 196 Cb 0.21 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.28 2wsi n HIS 196 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2wsi s TRP 197 N -1.44 3.58 0.51 4.41 0.52 -0.63 -5.02 118.94 120.86 2wsi s TRP 197 Ca 0.37 1.58 0.08 0.00 0.02 0.00 0.00 56.10 58.14 2wsi s TRP 197 Cb 0.20 -3.28 0.04 0.00 -1.15 0.00 0.00 33.47 29.27 2wsi s TRP 197 CO 0.27 -0.65 0.55 0.16 0.02 0.00 0.00 176.95 177.31 2wsi s ASP 198 N 0.00 5.04 0.26 2.95 1.47 -1.26 -4.56 116.67 120.58 2wsi s ASP 198 Ca 0.50 -0.87 -0.04 0.00 1.18 0.00 0.00 52.55 53.33 2wsi s ASP 198 Cb -0.29 -0.02 0.33 0.00 -0.34 0.00 0.00 42.92 42.60 2wsi s ASP 198 CO 0.34 -1.03 1.85 0.25 0.68 0.00 0.00 175.17 177.26 2wsi h LEU 199 N 0.61 0.93 -0.94 2.11 5.85 -1.90 -1.52 115.31 120.45 2wsi h LEU 199 Ca -0.36 -0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.16 2wsi h LEU 199 Cb 1.29 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 2wsi h LEU 199 CO 0.50 0.82 -0.09 0.71 -0.34 0.00 0.00 178.44 180.03 2wsi h THR 200 N 1.00 1.24 -0.69 1.05 1.35 -1.90 -2.22 112.91 112.75 2wsi h THR 200 Ca 0.24 -1.08 -0.07 0.00 -0.55 0.00 0.00 66.41 64.95 2wsi h THR 200 Cb 0.17 1.05 -0.03 0.00 -1.73 0.00 0.00 68.15 67.61 2wsi h THR 200 CO -0.02 0.36 0.14 0.78 -0.25 0.00 0.00 175.52 176.53 2wsi h ASN 201 N 0.62 1.07 0.23 5.36 2.35 -1.65 -1.40 115.58 122.16 2wsi h ASN 201 Ca 0.11 -0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 2wsi h ASN 201 Cb 0.52 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.61 2wsi h ASN 201 CO 0.03 1.04 -0.11 0.40 -1.65 0.00 0.00 177.43 177.14 2wsi h ILE 202 N 1.05 0.82 -0.55 2.81 1.08 -0.86 -1.62 117.51 120.24 2wsi h ILE 202 Ca 0.21 -0.25 -0.10 0.00 -0.39 0.00 0.00 64.86 64.33 2wsi h ILE 202 Cb 0.41 0.97 -0.02 0.00 -3.07 0.00 0.00 36.82 35.10 2wsi h ILE 202 CO 0.01 0.06 -0.05 -0.50 -0.69 0.00 0.00 178.15 176.98 2wsi h TRP 203 N -0.43 1.11 -0.29 1.37 -0.00 -1.41 -0.36 115.95 115.94 2wsi h TRP 203 Ca -0.03 -0.21 0.00 0.00 -0.00 0.00 0.00 58.89 58.65 2wsi h TRP 203 Cb 0.33 -0.28 -0.02 0.00 -0.00 0.00 0.00 29.16 29.19 2wsi h TRP 203 CO -0.03 1.01 0.19 1.03 -0.00 0.00 0.00 178.44 180.65 2wsi h SER 204 N 0.89 0.32 -0.22 -3.49 0.87 -1.14 -0.33 113.55 110.45 2wsi h SER 204 Ca 0.15 -0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.62 2wsi h SER 204 Cb 0.60 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.48 2wsi h SER 204 CO 0.04 0.24 -0.19 0.15 -0.53 0.00 0.00 176.83 176.53 2wsi h PHE 205 N 0.39 0.62 -0.36 2.24 3.57 -1.17 -2.15 116.94 120.08 2wsi h PHE 205 Ca 0.11 -0.18 -0.13 0.00 3.53 0.00 0.00 57.97 61.30 2wsi h PHE 205 Cb -0.04 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 2wsi h PHE 205 CO -0.06 0.85 -0.31 1.25 -2.23 0.00 0.00 178.31 177.81 2wsi h LEU 206 N 0.22 0.81 -0.20 0.59 5.85 -0.90 -0.94 115.31 120.73 2wsi h LEU 206 Ca 0.04 -0.33 -0.09 0.00 0.84 0.00 0.00 57.88 58.34 2wsi h LEU 206 Cb 0.73 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 2wsi h LEU 206 CO 0.05 1.06 -0.24 -0.07 -0.34 0.00 0.00 178.44 178.89 2wsi h LEU 207 N 0.66 0.56 -1.57 2.25 3.38 -1.14 -2.88 115.31 116.57 2wsi h LEU 207 Ca 0.07 -0.50 0.14 0.00 0.09 0.00 0.00 57.88 57.68 2wsi h LEU 207 Cb 0.84 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.38 2wsi h LEU 207 CO 0.07 0.95 0.49 0.22 0.09 0.00 0.00 178.44 180.26 2wsi h TYR 208 N 0.19 0.50 0.00 1.13 3.20 -1.17 -2.62 116.97 118.20 2wsi h TYR 208 Ca 0.03 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 2wsi h TYR 208 Cb 0.80 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.91 2wsi h TYR 208 CO 0.08 0.20 -0.16 0.66 -1.64 0.00 0.00 178.16 177.30 2wsi h SER 209 N 0.44 0.00 -0.01 -2.11 4.64 -0.94 0.13 113.55 115.69 2wsi h SER 209 Ca 0.35 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.67 2wsi h SER 209 Cb 0.77 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.86 2wsi h SER 209 CO -0.11 0.16 -0.00 -3.20 -0.87 0.00 0.00 176.83 172.81 2wsi n ASN 210 N -3.70 -5.53 -4.77 4.97 5.15 -0.99 -4.52 115.26 105.87 2wsi n ASN 210 Ca -0.02 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.63 2wsi n ASN 210 Cb 0.28 -3.04 0.05 0.00 -0.53 0.00 0.00 39.78 36.53 2wsi n ASN 210 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2wsi s GLU 211 N -1.70 2.79 0.35 1.20 0.41 -1.26 -4.77 118.70 115.72 2wsi s GLU 211 Ca 0.00 1.46 -0.27 0.00 -0.41 0.00 0.00 54.97 55.74 2wsi s GLU 211 Cb 0.00 -1.94 -0.09 0.00 -1.78 0.00 0.00 34.13 30.31 2wsi s GLU 211 CO 0.00 -1.27 1.21 -1.25 -0.49 0.00 0.00 175.26 173.47 2wsi s PRO 212 N -3.98 4.27 0.15 0.39 0.04 -1.26 -4.69 135.00 129.93 2wsi s PRO 212 Ca 0.68 1.99 0.08 0.00 0.04 0.00 0.00 61.00 63.79 2wsi s PRO 212 Cb -0.22 -2.93 -0.04 0.00 0.04 0.00 0.00 34.50 31.35 2wsi s PRO 212 CO 0.40 -0.18 -0.17 0.96 0.04 0.00 0.00 177.00 178.05 2wsi s ILE 213 N -1.25 1.66 0.15 0.56 -4.36 0.02 -4.93 121.20 113.04 2wsi s ILE 213 Ca 0.52 -1.85 -0.34 0.00 -0.26 0.00 0.00 60.65 58.71 2wsi s ILE 213 Cb -0.35 -1.75 -0.15 0.00 1.25 0.00 0.00 42.46 41.47 2wsi s ILE 213 CO 0.45 -0.35 1.50 0.00 0.24 0.00 0.00 174.94 176.78 2wsi h GLY 215 N 5.44 0.00 0.55 0.00 0.00 -1.86 -2.13 103.07 105.07 2wsi h GLY 215 Ca -0.46 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.03 2wsi h GLY 215 CO 0.85 0.00 0.55 1.41 0.00 0.00 0.00 176.54 179.35 2wsi h LEU 216 N 0.00 0.51 -1.26 3.11 3.38 -1.87 -0.72 115.31 118.46 2wsi h LEU 216 Ca -0.00 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2wsi h LEU 216 Cb 0.21 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2wsi h LEU 216 CO 0.00 0.25 0.08 1.88 0.09 0.00 0.00 178.44 180.75 2wsi h TYR 217 N 0.53 0.60 0.00 1.13 0.05 -1.60 -1.09 116.97 116.60 2wsi h TYR 217 Ca 0.42 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 59.15 2wsi h TYR 217 Cb 0.84 -0.18 -0.00 0.00 1.01 0.00 0.00 36.73 38.40 2wsi h TYR 217 CO -0.00 0.53 -0.02 0.78 -1.05 0.00 0.00 178.16 178.40 2wsi h GLY 218 N 0.82 0.00 -1.82 3.88 0.00 -1.29 0.32 103.07 104.98 2wsi h GLY 218 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 2wsi h GLY 218 CO -0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 2wsi n LYS 219 N -3.59 2.20 0.00 4.80 4.76 -0.43 -4.31 118.16 121.59 2wsi n LYS 219 Ca -0.03 -1.84 0.00 0.00 -2.87 0.00 0.00 58.31 53.57 2wsi n LYS 219 Cb 0.12 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 2wsi n LYS 219 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wsi n GLY 220 N 1.34 0.55 3.77 0.72 0.00 -0.90 -4.73 105.19 105.95 2wsi n GLY 220 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 2wsi n GLY 220 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wsi s PHE 221 N -2.00 2.80 -0.10 1.61 0.08 -1.09 -0.56 117.98 118.72 2wsi s PHE 221 Ca 0.00 1.37 0.01 0.00 0.12 0.00 0.00 56.93 58.43 2wsi s PHE 221 Cb 0.00 -3.74 -0.01 0.00 -0.57 0.00 0.00 43.02 38.70 2wsi s PHE 221 CO 0.00 -2.24 0.20 0.25 -0.10 0.00 0.00 175.22 173.33 2wsi n THR 222 N 0.27 0.00 -3.68 0.64 -2.24 -1.26 -3.76 114.28 104.25 2wsi n THR 222 Ca 0.03 -0.48 -0.11 0.00 -2.27 0.00 0.00 64.05 61.22 2wsi n THR 222 Cb 0.42 1.01 -0.09 0.00 -2.10 0.00 0.00 70.33 69.57 2wsi n THR 222 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2wsi s SER 223 N -0.83 -0.63 -0.21 3.42 0.15 -1.26 -4.89 113.70 109.45 2wsi s SER 223 Ca 0.01 1.10 -0.03 0.00 0.70 0.00 0.00 55.95 57.72 2wsi s SER 223 Cb 0.01 1.02 -0.01 0.00 -1.71 0.00 0.00 66.02 65.33 2wsi s SER 223 CO 0.04 -0.20 -0.06 -0.63 1.20 0.00 0.00 173.24 173.59 2wsi s ILE 224 N 1.11 3.29 0.00 6.45 1.01 -1.26 -4.77 121.20 127.03 2wsi s ILE 224 Ca -0.07 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.06 2wsi s ILE 224 Cb -0.06 -2.48 0.00 0.00 0.01 0.00 0.00 42.46 39.93 2wsi s ILE 224 CO -0.10 0.44 0.00 0.61 0.00 0.00 0.00 174.94 175.89 2wsi n GLY 225 N 4.61 1.82 3.93 6.18 0.00 -1.26 -5.06 105.19 115.41 2wsi n GLY 225 Ca -0.18 -0.20 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 2wsi n GLY 225 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wsi s GLY 226 N 0.00 2.15 0.50 -0.02 0.00 -1.26 -4.64 107.32 104.05 2wsi s GLY 226 Ca 0.00 -1.63 0.18 0.00 0.00 0.00 0.00 44.72 43.27 2wsi s GLY 226 CO 0.00 -1.82 2.07 -2.22 0.00 0.00 0.00 173.10 171.13 2wsi h ILE 227 N 0.66 0.90 0.00 0.90 2.04 -0.45 -2.33 117.51 119.23 2wsi h ILE 227 Ca -0.36 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.47 2wsi h ILE 227 Cb 1.29 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 2wsi h ILE 227 CO 0.53 0.02 -1.33 -0.46 0.00 0.00 0.00 178.15 176.91 2wsi n ASN 228 N -4.47 0.66 -0.06 1.72 6.94 -1.26 -4.48 115.26 114.31 2wsi n ASN 228 Ca 0.04 -0.65 0.06 0.00 -0.02 0.00 0.00 54.58 54.01 2wsi n ASN 228 Cb 0.30 1.32 0.09 0.00 -2.36 0.00 0.00 39.78 39.13 2wsi n ASN 228 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 2wsi n ASN 229 N -1.76 2.11 -3.68 0.53 0.23 -0.90 -4.98 115.26 106.81 2wsi n ASN 229 Ca 0.01 -2.66 -0.14 0.00 -0.53 0.00 0.00 54.58 51.26 2wsi n ASN 229 Cb 0.41 -0.27 -0.08 0.00 -2.08 0.00 0.00 39.78 37.75 2wsi n ASN 229 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2wsi s SER 230 N -2.15 -0.55 0.24 0.53 1.04 -1.07 -2.21 113.70 109.53 2wsi s SER 230 Ca 0.20 1.02 0.01 0.00 0.48 0.00 0.00 55.95 57.66 2wsi s SER 230 Cb 0.17 1.03 -0.04 0.00 0.10 0.00 0.00 66.02 67.29 2wsi s SER 230 CO 0.02 -0.24 0.16 -0.76 0.98 0.00 0.00 173.24 173.41 2wsi s LEU 231 N 0.09 1.37 0.68 2.42 1.43 0.39 -4.84 118.68 120.21 2wsi s LEU 231 Ca -0.02 -1.49 -0.17 0.00 -1.03 0.00 0.00 54.13 51.43 2wsi s LEU 231 Cb -0.04 0.37 -0.01 0.00 0.03 0.00 0.00 46.19 46.55 2wsi s LEU 231 CO 0.02 -0.89 1.01 -2.65 0.23 0.00 0.00 176.35 174.07 2wsi n PRO 232 N -0.39 0.70 -2.48 1.29 -0.02 -1.26 -4.49 135.00 128.35 2wsi n PRO 232 Ca 0.03 0.29 -0.43 0.00 -2.02 0.00 0.00 63.50 61.38 2wsi n PRO 232 Cb 0.65 -2.25 -0.02 0.00 -0.02 0.00 0.00 33.50 31.86 2wsi n PRO 232 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2wsi s ASN 233 N -1.49 7.04 0.62 2.55 3.84 0.28 -4.59 114.94 123.18 2wsi s ASN 233 Ca 0.76 1.73 0.36 0.00 0.21 0.00 0.00 52.86 55.92 2wsi s ASN 233 Cb -0.37 -2.55 2.04 0.00 -0.55 0.00 0.00 41.25 39.82 2wsi s ASN 233 CO 0.48 -0.63 2.29 1.55 -2.79 0.00 0.00 177.10 177.99 2wsi h PRO 234 N 7.65 0.00 0.00 0.43 0.13 -1.90 0.27 132.00 138.59 2wsi h PRO 234 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2wsi h PRO 234 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2wsi h PRO 234 CO 0.91 0.01 0.00 0.72 -0.23 0.00 0.00 178.00 179.41 2wsi n HIS 235 N -3.48 0.00 0.37 1.56 8.25 -1.26 -2.61 115.22 118.04 2wsi n HIS 235 Ca -0.03 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.52 2wsi n HIS 235 Cb 0.10 -0.25 0.13 0.00 1.12 0.00 0.00 29.99 31.09 2wsi n HIS 235 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2wsi n LEU 236 N -1.25 2.81 -4.68 2.41 4.77 0.96 -4.78 117.00 117.24 2wsi n LEU 236 Ca 0.12 -1.36 -0.44 0.00 -0.03 0.00 0.00 56.01 54.31 2wsi n LEU 236 Cb 0.18 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.10 2wsi n LEU 236 CO 0.18 0.59 1.48 -1.14 -1.33 0.00 0.00 177.39 177.17 2wsi n ARG 237 N 1.02 2.62 -0.10 3.23 0.63 -1.07 -1.03 116.66 121.96 2wsi n ARG 237 Ca 0.13 0.96 -0.09 0.00 -0.92 0.00 0.00 57.85 57.92 2wsi n ARG 237 Cb 0.47 -2.84 0.05 0.00 0.45 0.00 0.00 32.46 30.59 2wsi n ARG 237 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 2wsi h LYS 238 N 8.90 0.83 0.00 -0.14 1.57 -0.81 -2.18 116.57 124.74 2wsi h LYS 238 Ca -0.47 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 57.94 2wsi h LYS 238 Cb 1.24 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2wsi h LYS 238 CO 0.94 1.00 0.00 -0.40 -0.57 0.00 0.00 179.45 180.42 2wsi n ASP 239 N -4.09 0.00 0.00 0.86 5.68 -1.26 -3.21 116.55 114.53 2wsi n ASP 239 Ca -0.01 -0.59 0.00 0.00 -0.50 0.00 0.00 54.79 53.70 2wsi n ASP 239 Cb 0.47 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.39 2wsi n ASP 239 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2wsi n SER 240 N -1.06 0.18 -3.75 -1.12 3.41 -1.10 -5.08 113.62 105.10 2wsi n SER 240 Ca 0.16 -1.08 -0.13 0.00 -0.26 0.00 0.00 58.87 57.56 2wsi n SER 240 Cb 0.10 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.96 2wsi n SER 240 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2wsi s ASN 241 N -0.08 -0.24 -0.40 4.04 0.01 -0.84 -5.00 114.94 112.43 2wsi s ASN 241 Ca 0.00 0.22 0.09 0.00 -0.71 0.00 0.00 52.86 52.46 2wsi s ASN 241 Cb 0.00 0.40 0.27 0.00 0.41 0.00 0.00 41.25 42.33 2wsi s ASN 241 CO 0.00 -0.40 0.59 0.59 -1.51 0.00 0.00 177.10 176.37 2wsi n ASN 242 N 1.54 0.60 -4.78 -1.22 3.02 -1.26 -4.57 115.26 108.59 2wsi n ASN 242 Ca -0.20 -2.82 -0.36 0.00 -0.03 0.00 0.00 54.58 51.16 2wsi n ASN 242 Cb 0.56 -0.64 -0.03 0.00 -0.61 0.00 0.00 39.78 39.07 2wsi n ASN 242 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2wsi s PRO 243 N -1.58 3.97 0.53 3.52 0.04 -1.26 -5.02 135.00 135.20 2wsi s PRO 243 Ca 0.37 1.57 -0.18 0.00 0.04 0.00 0.00 61.00 62.80 2wsi s PRO 243 Cb 0.21 -2.42 -0.07 0.00 0.04 0.00 0.00 34.50 32.26 2wsi s PRO 243 CO -0.10 -0.32 1.03 0.00 0.04 0.00 0.00 177.00 177.65 2wsi s ALA 244 N -1.68 2.87 -0.11 8.56 0.00 -1.26 -5.03 121.76 125.11 2wsi s ALA 244 Ca 0.61 0.41 -0.25 0.00 0.00 0.00 0.00 51.96 52.74 2wsi s ALA 244 Cb -0.23 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 2wsi s ALA 244 CO 0.28 -0.47 0.78 -1.17 0.00 0.00 0.00 175.76 175.18 2wsi s LEU 245 N -4.01 4.25 0.00 0.00 2.96 -1.26 -4.89 118.68 115.73 2wsi s LEU 245 Ca 0.64 1.20 0.19 0.00 -0.22 0.00 0.00 54.13 55.94 2wsi s LEU 245 Cb -0.14 -3.18 0.13 0.00 0.50 0.00 0.00 46.19 43.49 2wsi s LEU 245 CO 0.29 -0.27 1.09 1.41 -1.32 0.00 0.00 176.35 177.55 2wsi n HIS 246 N 4.52 0.00 -1.29 5.38 8.25 -1.26 -4.52 115.22 126.30 2wsi n HIS 246 Ca 0.02 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.56 2wsi n HIS 246 Cb 0.50 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.75 2wsi n HIS 246 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2wsi n PHE 247 N 0.90 0.00 -0.30 4.41 3.72 -1.26 -4.79 117.46 120.14 2wsi n PHE 247 Ca 0.11 -1.01 0.03 0.00 -0.05 0.00 0.00 57.45 56.53 2wsi n PHE 247 Cb 0.47 -0.16 0.17 0.00 -0.94 0.00 0.00 39.48 39.02 2wsi n PHE 247 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2wsi h GLU 248 N 0.23 0.77 -0.35 -1.08 4.57 -2.00 -1.35 114.58 115.38 2wsi h GLU 248 Ca -0.01 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.10 2wsi h GLU 248 Cb 1.06 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.46 2wsi h GLU 248 CO 0.00 0.51 0.12 2.35 -1.18 0.00 0.00 179.01 180.81 2wsi h TRP 249 N 0.80 0.55 -0.89 0.92 7.01 -1.97 -0.51 115.95 121.86 2wsi h TRP 249 Ca 0.41 -0.05 -0.02 0.00 2.11 0.00 0.00 58.89 61.33 2wsi h TRP 249 Cb 0.38 -0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 27.24 2wsi h TRP 249 CO -0.06 0.53 0.47 0.93 -2.79 0.00 0.00 178.44 177.52 2wsi h GLU 250 N 0.41 1.25 0.05 2.65 3.07 -1.82 -0.10 114.58 120.09 2wsi h GLU 250 Ca 0.11 -0.16 -0.00 0.00 -0.50 0.00 0.00 59.36 58.81 2wsi h GLU 250 Cb 0.23 -0.24 0.00 0.00 -0.84 0.00 0.00 28.75 27.90 2wsi h GLU 250 CO -0.01 0.92 -0.03 0.82 -1.40 0.00 0.00 179.01 179.32 2wsi h ILE 251 N 1.25 1.15 -0.33 3.13 2.04 -0.97 -1.41 117.51 122.36 2wsi h ILE 251 Ca 0.31 -0.67 -0.08 0.00 1.00 0.00 0.00 64.86 65.42 2wsi h ILE 251 Cb 0.05 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 2wsi h ILE 251 CO -0.05 0.17 -0.14 0.40 0.00 0.00 0.00 178.15 178.53 2wsi h ILE 252 N -0.37 1.24 -0.39 -0.67 1.08 -0.79 -2.93 117.51 114.69 2wsi h ILE 252 Ca -0.01 -1.10 -0.03 0.00 -0.39 0.00 0.00 64.86 63.33 2wsi h ILE 252 Cb 0.33 1.15 -0.02 0.00 -3.07 0.00 0.00 36.82 35.21 2wsi h ILE 252 CO 0.01 0.36 0.02 1.41 -0.69 0.00 0.00 178.15 179.27 2wsi n HIS 253 N -4.18 1.39 -1.56 1.37 8.25 -0.08 -4.80 115.22 115.61 2wsi n HIS 253 Ca 0.01 -0.92 -0.41 0.00 -0.26 0.00 0.00 57.72 56.13 2wsi n HIS 253 Cb 0.35 -0.41 0.01 0.00 1.12 0.00 0.00 29.99 31.05 2wsi n HIS 253 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wsi n ALA 254 N -0.25 -0.40 -1.65 -1.41 0.00 -0.53 -4.75 120.51 111.52 2wsi n ALA 254 Ca 0.26 0.19 -0.57 0.00 0.00 0.00 0.00 53.44 53.32 2wsi n ALA 254 Cb 1.03 -1.98 -0.07 0.00 0.00 0.00 0.00 19.45 18.43 2wsi n ALA 254 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2wsi n PHE 255 N -0.70 1.65 0.00 0.00 7.35 0.44 -1.77 117.46 124.44 2wsi n PHE 255 Ca 0.11 0.71 0.00 0.00 -0.76 0.00 0.00 57.45 57.51 2wsi n PHE 255 Cb 0.40 -2.34 0.00 0.00 0.35 0.00 0.00 39.48 37.88 2wsi n PHE 255 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2wsi n GLY 256 N 3.25 2.24 0.25 7.13 0.00 -1.26 -4.63 105.19 112.16 2wsi n GLY 256 Ca 0.23 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.12 2wsi n GLY 256 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2wsi h LYS 257 N 1.31 0.88 0.00 1.61 3.64 -1.69 -3.52 116.57 118.80 2wsi h LYS 257 Ca 0.00 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2wsi h LYS 257 Cb 0.00 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2wsi h LYS 257 CO 0.00 1.13 0.00 -3.47 -2.27 0.00 0.00 179.45 174.84 2wsi n ASP 258 N -4.09 0.00 -4.60 4.20 -0.08 -1.18 -4.99 116.55 105.81 2wsi n ASP 258 Ca -0.03 0.00 -0.63 0.00 -1.51 0.00 0.00 54.79 52.62 2wsi n ASP 258 Cb 0.56 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.92 2wsi n ASP 258 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2wsi n ARG 263 N 0.00 0.27 -0.30 -0.67 0.63 -1.26 -4.17 116.66 111.15 2wsi n ARG 263 Ca 0.00 0.09 0.11 0.00 -0.92 0.00 0.00 57.85 57.13 2wsi n ARG 263 Cb 0.00 -1.66 0.34 0.00 0.45 0.00 0.00 32.46 31.59 2wsi n ARG 263 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 2wsi h SER 264 N 6.85 0.73 -0.42 6.15 0.02 -1.92 -1.74 113.55 123.22 2wsi h SER 264 Ca -0.35 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 2wsi h SER 264 Cb 1.37 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2wsi h SER 264 CO 1.01 0.36 0.00 -1.54 -1.14 0.00 0.00 176.83 175.52 2wsi n SER 265 N -4.59 2.88 -4.79 3.07 3.41 -1.26 -3.97 113.62 108.37 2wsi n SER 265 Ca 0.18 -1.93 -0.36 0.00 -0.26 0.00 0.00 58.87 56.50 2wsi n SER 265 Cb 0.46 -0.27 -0.06 0.00 -0.26 0.00 0.00 64.21 64.07 2wsi n SER 265 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wsi s ALA 266 N -1.45 3.20 -0.12 7.33 0.00 -0.66 -5.05 121.76 125.02 2wsi s ALA 266 Ca 0.37 0.50 0.03 0.00 0.00 0.00 0.00 51.96 52.86 2wsi s ALA 266 Cb 0.20 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 20.16 2wsi s ALA 266 CO 0.28 0.18 -0.23 0.42 0.00 0.00 0.00 175.76 176.41 2wsi s ILE 267 N -1.67 2.13 -1.02 0.00 1.01 -1.26 -5.02 121.20 115.37 2wsi s ILE 267 Ca 0.51 -0.98 -0.21 0.00 0.00 0.00 0.00 60.65 59.97 2wsi s ILE 267 Cb -0.17 -1.83 -0.09 0.00 0.01 0.00 0.00 42.46 40.37 2wsi s ILE 267 CO 0.22 0.55 1.95 -3.20 0.00 0.00 0.00 174.94 174.47 2wsi n ASN 268 N 3.72 3.06 -4.84 3.58 5.15 -1.26 -4.96 115.26 119.71 2wsi n ASN 268 Ca -0.19 -2.73 -0.37 0.00 -0.60 0.00 0.00 54.58 50.69 2wsi n ASN 268 Cb 0.52 -1.41 -0.06 0.00 -0.53 0.00 0.00 39.78 38.30 2wsi n ASN 268 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2wsi s THR 269 N 6.43 4.93 0.67 -0.44 -4.23 -1.26 -0.80 115.64 120.94 2wsi s THR 269 Ca 0.59 0.85 -0.12 0.00 -1.18 0.00 0.00 61.69 61.83 2wsi s THR 269 Cb 0.09 -3.75 -0.01 0.00 1.34 0.00 0.00 72.50 70.18 2wsi s THR 269 CO 0.10 0.44 1.06 -0.94 -0.54 0.00 0.00 174.62 174.73 2wsi s SER 270 N -1.36 5.54 0.30 3.99 1.04 0.05 -4.84 113.70 118.42 2wsi s SER 270 Ca 0.30 1.64 -0.29 0.00 0.48 0.00 0.00 55.95 58.08 2wsi s SER 270 Cb -0.16 -2.50 -0.10 0.00 0.10 0.00 0.00 66.02 63.36 2wsi s SER 270 CO 0.17 -1.34 1.29 -2.84 0.98 0.00 0.00 173.24 171.50 2wsi s PRO 271 N -4.84 4.39 0.03 4.02 0.02 -1.26 -3.41 135.00 133.94 2wsi s PRO 271 Ca 0.59 2.15 -0.28 0.00 0.02 0.00 0.00 61.00 63.48 2wsi s PRO 271 Cb -0.14 -3.10 -0.04 0.00 0.02 0.00 0.00 34.50 31.23 2wsi s PRO 271 CO 0.51 -0.17 0.91 0.42 -0.33 0.00 0.00 177.00 178.34 2wsi s ILE 272 N -0.89 4.76 0.57 2.83 -1.09 -1.26 -4.77 121.20 121.35 2wsi s ILE 272 Ca 0.50 1.93 -0.19 0.00 -2.23 0.00 0.00 60.65 60.67 2wsi s ILE 272 Cb -0.39 -4.26 -0.04 0.00 -1.58 0.00 0.00 42.46 36.19 2wsi s ILE 272 CO 0.49 0.25 1.13 -0.55 -1.23 0.00 0.00 174.94 175.03 2wsi s SER 273 N 0.53 5.55 0.19 3.58 0.15 -1.26 -4.79 113.70 117.64 2wsi s SER 273 Ca 0.47 2.17 -0.12 0.00 0.70 0.00 0.00 55.95 59.16 2wsi s SER 273 Cb -0.21 -2.58 0.14 0.00 -1.71 0.00 0.00 66.02 61.66 2wsi s SER 273 CO 0.27 -1.34 1.82 -0.37 1.20 0.00 0.00 173.24 174.82 2wsi h VAL 274 N 0.94 1.05 -0.87 4.45 -1.51 -1.99 -0.11 116.25 118.21 2wsi h VAL 274 Ca -0.49 -0.24 0.12 0.00 -1.23 0.00 0.00 66.70 64.86 2wsi h VAL 274 Cb 1.26 0.30 -0.08 0.00 -2.13 0.00 0.00 31.29 30.64 2wsi h VAL 274 CO 0.56 0.13 0.49 1.62 -1.23 0.00 0.00 177.57 179.13 2wsi h VAL 275 N 0.69 0.84 -0.06 7.19 3.04 -2.01 0.27 116.25 126.21 2wsi h VAL 275 Ca 0.24 -0.26 -0.12 0.00 -1.01 0.00 0.00 66.70 65.55 2wsi h VAL 275 Cb 0.05 0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 29.32 2wsi h VAL 275 CO -0.11 0.14 -0.52 0.44 -1.01 0.00 0.00 177.57 176.51 2wsi h ASP 276 N 0.76 0.18 -0.69 3.17 3.32 -1.53 -2.01 116.42 119.63 2wsi h ASP 276 Ca 0.44 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.39 2wsi h ASP 276 Cb 0.50 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 2wsi h ASP 276 CO -0.29 0.67 0.39 0.11 -1.72 0.00 0.00 179.24 178.40 2wsi h LYS 277 N 0.13 0.96 0.13 3.56 1.57 0.74 0.07 116.57 123.74 2wsi h LYS 277 Ca 0.00 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2wsi h LYS 277 Cb 0.96 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.07 2wsi h LYS 277 CO 0.08 0.70 -0.06 1.49 -0.57 0.00 0.00 179.45 181.08 2wsi h GLU 278 N 0.97 -0.17 -0.23 3.15 4.22 -0.90 -2.11 114.58 119.50 2wsi h GLU 278 Ca 0.25 0.01 0.07 0.00 0.08 0.00 0.00 59.36 59.77 2wsi h GLU 278 Cb 0.01 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2wsi h GLU 278 CO -0.04 0.09 0.17 -0.09 -2.18 0.00 0.00 179.01 176.96 2wsi h ARG 279 N -0.42 0.00 -0.03 1.92 2.43 -1.01 -1.12 114.38 116.16 2wsi h ARG 279 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2wsi h ARG 279 Cb 0.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 2wsi h ARG 279 CO 0.03 0.00 -0.03 1.19 -1.51 0.00 0.00 179.97 179.65 2wsi n PHE 280 N -4.46 0.00 -0.20 2.20 3.72 -0.02 -4.31 117.46 114.38 2wsi n PHE 280 Ca 0.03 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.41 2wsi n PHE 280 Cb 0.32 -0.00 0.19 0.00 -0.94 0.00 0.00 39.48 39.05 2wsi n PHE 280 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2wsi h SER 281 N 4.19 0.88 -0.34 4.37 4.64 -0.49 -1.96 113.55 124.84 2wsi h SER 281 Ca 0.00 -0.09 0.07 0.00 -0.47 0.00 0.00 61.79 61.30 2wsi h SER 281 Cb 0.90 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.75 2wsi h SER 281 CO 0.00 0.74 0.24 0.07 -0.87 0.00 0.00 176.83 177.00 2wsi h LYS 282 N 0.97 0.13 0.00 4.77 2.10 -1.75 -3.51 116.57 119.28 2wsi h LYS 282 Ca 0.24 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.88 2wsi h LYS 282 Cb 0.09 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 2wsi h LYS 282 CO -0.03 0.09 0.00 0.66 -2.00 0.00 0.00 179.45 178.16 2wsi n TYR 283 N -4.47 -0.41 0.00 0.07 4.01 -0.74 -5.22 117.16 110.40 2wsi n TYR 283 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 2wsi n TYR 283 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.35 2wsi n TYR 283 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2wsi n ASN 286 N 0.00 0.00 -4.03 7.72 5.15 -1.26 -5.15 115.26 117.69 2wsi n ASN 286 Ca 0.00 0.00 -0.23 0.00 -0.60 0.00 0.00 54.58 53.75 2wsi n ASN 286 Cb 0.00 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.09 2wsi n ASN 286 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2wsi s TYR 287 N -2.00 1.23 0.58 1.20 2.02 -1.26 -0.17 117.35 118.95 2wsi s TYR 287 Ca 0.00 -0.36 -0.20 0.00 -0.37 0.00 0.00 57.07 56.14 2wsi s TYR 287 Cb 0.00 -0.88 -0.04 0.00 -0.40 0.00 0.00 41.96 40.64 2wsi s TYR 287 CO 0.00 -0.16 1.26 0.71 -1.57 0.00 0.00 175.55 175.78 2wsi s TYR 288 N 0.32 2.33 0.78 2.71 2.02 -0.20 -4.60 117.35 120.72 2wsi s TYR 288 Ca -0.07 1.48 -0.14 0.00 -0.37 0.00 0.00 57.07 57.97 2wsi s TYR 288 Cb -0.11 -3.60 0.04 0.00 -0.40 0.00 0.00 41.96 37.89 2wsi s TYR 288 CO 0.02 -2.48 1.01 -2.30 -1.57 0.00 0.00 175.55 170.23 2wsi n PRO 289 N -1.44 0.27 -0.10 -1.71 -0.02 -1.26 -3.61 135.00 127.13 2wsi n PRO 289 Ca 0.13 0.16 0.17 0.00 -2.02 0.00 0.00 63.50 61.94 2wsi n PRO 289 Cb 0.48 -2.28 0.58 0.00 -0.02 0.00 0.00 33.50 32.26 2wsi n PRO 289 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2wsi h GLY 290 N -0.70 0.42 0.73 -1.23 0.00 -1.04 -1.30 103.07 99.95 2wsi h GLY 290 Ca -0.46 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 46.76 2wsi h GLY 290 CO 0.45 0.04 0.00 -2.67 0.00 0.00 0.00 176.54 174.36 2wsi n TRP 291 N -4.43 0.00 1.28 5.60 2.14 -1.26 -0.59 117.44 120.17 2wsi n TRP 291 Ca 0.13 0.00 0.13 0.00 2.07 0.00 0.00 57.50 59.83 2wsi n TRP 291 Cb 0.56 0.00 0.49 0.00 -0.81 0.00 0.00 31.31 31.55 2wsi n TRP 291 CO 0.00 0.00 0.00 0.66 2.07 0.00 0.00 177.69 180.42 2wsi n TYR 292 N -0.87 0.00 -3.61 -2.67 4.01 -0.49 -4.70 117.16 108.83 2wsi n TYR 292 Ca 0.12 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.50 2wsi n TYR 292 Cb 0.06 -0.18 -0.09 0.00 -0.31 0.00 0.00 39.34 38.82 2wsi n TYR 292 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2wsi s LEU 293 N -2.56 4.13 0.00 7.72 2.96 0.24 -4.80 118.68 126.37 2wsi s LEU 293 Ca 0.25 0.21 0.00 0.00 -0.22 0.00 0.00 54.13 54.36 2wsi s LEU 293 Cb 0.19 -2.19 0.00 0.00 0.50 0.00 0.00 46.19 44.70 2wsi s LEU 293 CO 0.52 0.05 0.14 1.33 -1.32 0.00 0.00 176.35 177.06 2wsi n VAL 294 N 4.21 0.00 -2.78 1.68 0.24 -1.26 -4.87 118.33 115.55 2wsi n VAL 294 Ca -0.14 -0.47 -0.43 0.00 -2.04 0.00 0.00 64.34 61.26 2wsi n VAL 294 Cb 0.52 1.01 -0.04 0.00 -1.47 0.00 0.00 33.84 33.86 2wsi n VAL 294 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2wsi s ASP 295 N -0.68 6.35 0.56 -1.34 2.15 -1.26 -4.51 116.67 117.95 2wsi s ASP 295 Ca 0.00 -0.28 0.24 0.00 0.43 0.00 0.00 52.55 52.94 2wsi s ASP 295 Cb 0.00 -2.46 1.56 0.00 -0.30 0.00 0.00 42.92 41.72 2wsi s ASP 295 CO 0.00 -1.30 2.17 0.44 -0.17 0.00 0.00 175.17 176.32 2wsi h ASP 296 N 9.38 0.00 0.50 -0.34 3.32 -1.96 -0.58 116.42 126.74 2wsi h ASP 296 Ca -0.26 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.77 2wsi h ASP 296 Cb 1.07 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 2wsi h ASP 296 CO 1.12 0.00 -0.11 0.71 -1.72 0.00 0.00 179.24 179.23 2wsi h THR 297 N 0.00 0.45 -0.31 0.35 1.35 -1.89 -2.81 112.91 110.05 2wsi h THR 297 Ca 0.03 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 2wsi h THR 297 Cb 0.15 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 2wsi h THR 297 CO -0.00 0.11 0.00 0.18 -0.25 0.00 0.00 175.52 175.56 2wsi n LEU 298 N -3.49 3.13 -0.29 3.87 4.77 -0.23 -4.60 117.00 120.16 2wsi n LEU 298 Ca -0.01 -1.49 -0.00 0.00 -0.03 0.00 0.00 56.01 54.48 2wsi n LEU 298 Cb 0.26 -0.20 0.19 0.00 -2.33 0.00 0.00 43.42 41.34 2wsi n LEU 298 CO 0.29 0.68 1.27 -0.08 -1.33 0.00 0.00 177.39 178.22 2wsi h GLU 299 N 3.74 1.13 -0.59 3.23 4.81 -1.51 -2.04 114.58 123.34 2wsi h GLU 299 Ca 0.00 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2wsi h GLU 299 Cb 0.87 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 2wsi h GLU 299 CO 0.00 0.75 0.01 0.54 -0.73 0.00 0.00 179.01 179.57 2wsi n ARG 300 N -4.41 4.85 0.23 1.92 1.74 -1.26 -4.07 116.66 115.65 2wsi n ARG 300 Ca 0.10 -3.12 0.08 0.00 -0.77 0.00 0.00 57.85 54.14 2wsi n ARG 300 Cb 0.04 -2.26 0.55 0.00 -1.02 0.00 0.00 32.46 29.77 2wsi n ARG 300 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wsi h ALA 301 N 3.96 1.36 -0.03 7.54 0.00 -1.68 -0.34 119.26 130.07 2wsi h ALA 301 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2wsi h ALA 301 Cb 1.98 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.74 2wsi h ALA 301 CO 0.50 0.27 0.00 0.41 0.00 0.00 0.00 179.25 180.43 2wsi n GLY 302 N -0.60 -0.75 4.01 0.00 0.00 -1.26 -4.74 105.19 101.84 2wsi n GLY 302 Ca -0.02 -0.20 -0.18 0.00 0.00 0.00 0.00 46.02 45.62 2wsi n GLY 302 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wsi s ARG 303 N -1.97 2.70 0.00 1.61 1.81 -0.14 -0.46 118.95 122.50 2wsi s ARG 303 Ca 0.33 -1.22 0.00 0.00 -1.72 0.00 0.00 55.73 53.13 2wsi s ARG 303 Cb 0.16 -2.70 0.00 0.00 -0.45 0.00 0.00 34.95 31.96 2wsi s ARG 303 CO 0.26 -0.44 0.00 -0.89 -0.68 0.00 0.00 175.30 173.55