#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d2h n ALA 42 N 0.00 0.14 -0.22 2.41 0.00 -1.26 0.76 120.51 122.34 1d2h n ALA 42 Ca 0.00 0.49 -0.13 0.00 0.00 0.00 0.00 53.44 53.80 1d2h n ALA 42 Cb 0.00 -0.31 -0.09 0.00 0.00 0.00 0.00 19.45 19.05 1d2h n ALA 42 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1d2h h GLU 43 N 0.00 -0.27 -0.84 0.00 3.07 -1.98 0.92 114.58 115.47 1d2h h GLU 43 Ca 0.23 0.02 0.15 0.00 -0.50 0.00 0.00 59.36 59.25 1d2h h GLU 43 Cb 0.38 0.06 -0.15 0.00 -0.84 0.00 0.00 28.75 28.21 1d2h h GLU 43 CO -0.45 -0.18 -0.28 0.98 -1.40 0.00 0.00 179.01 177.68 1d2h n TYR 44 N -5.35 0.14 0.01 4.33 9.36 0.23 -0.68 117.16 125.21 1d2h n TYR 44 Ca -0.02 1.04 -0.15 0.00 3.32 0.00 0.00 57.90 62.09 1d2h n TYR 44 Cb 0.32 -0.89 -0.09 0.00 -0.63 0.00 0.00 39.34 38.05 1d2h n TYR 44 CO 0.00 0.00 0.00 -0.22 0.22 0.00 0.00 176.86 176.86 1d2h h LYS 45 N 0.00 -0.58 -0.22 2.98 3.64 -0.87 -2.96 116.57 118.57 1d2h h LYS 45 Ca 0.34 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.78 1d2h h LYS 45 Cb 0.55 0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.46 1d2h h LYS 45 CO -0.85 -0.38 -0.27 0.00 -2.27 0.00 0.00 179.45 175.67 1d2h h ALA 46 N -0.25 -0.51 -0.46 5.00 0.00 -0.71 -1.98 119.26 120.34 1d2h h ALA 46 Ca 0.03 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.04 1d2h h ALA 46 Cb 0.69 0.93 -0.10 0.00 0.00 0.00 0.00 17.79 19.31 1d2h h ALA 46 CO -0.41 -0.64 -0.30 2.35 0.00 0.00 0.00 179.25 180.25 1d2h h TRP 47 N -0.18 -0.80 0.58 0.00 7.01 -1.50 -2.20 115.95 118.86 1d2h h TRP 47 Ca 0.04 0.06 -0.02 0.00 2.11 0.00 0.00 58.89 61.07 1d2h h TRP 47 Cb 0.28 0.42 -0.00 0.00 -2.10 0.00 0.00 29.16 27.76 1d2h h TRP 47 CO -0.69 -0.36 -0.35 1.25 -2.79 0.00 0.00 178.44 175.51 1d2h h LEU 48 N -0.20 -0.86 -0.72 0.65 5.85 -1.37 -2.25 115.31 116.41 1d2h h LEU 48 Ca 0.20 0.05 0.11 0.00 0.84 0.00 0.00 57.88 59.08 1d2h h LEU 48 Cb 0.52 0.25 -0.12 0.00 0.37 0.00 0.00 40.66 41.68 1d2h h LEU 48 CO -0.57 -0.55 -0.42 -0.07 -0.34 0.00 0.00 178.44 176.49 1d2h h LEU 49 N -0.88 -1.47 -0.13 2.25 4.07 -1.16 -1.50 115.31 116.50 1d2h h LEU 49 Ca -0.07 0.26 0.02 0.00 0.08 0.00 0.00 57.88 58.18 1d2h h LEU 49 Cb 0.71 0.70 -0.04 0.00 1.08 0.00 0.00 40.66 43.10 1d2h h LEU 49 CO 0.08 -0.31 -0.35 1.23 -1.08 0.00 0.00 178.44 178.01 1d2h h GLY 50 N -0.14 -1.29 -0.85 0.83 0.00 -1.18 -0.20 103.07 100.23 1d2h h GLY 50 Ca 0.23 0.70 0.34 0.00 0.00 0.00 0.00 47.33 48.61 1d2h h GLY 50 CO -0.78 -0.34 0.37 -2.00 0.00 0.00 0.00 176.54 173.79 1d2h h LEU 51 N -0.34 0.10 0.05 3.11 5.85 -0.72 1.17 115.31 124.52 1d2h h LEU 51 Ca 0.03 0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.99 1d2h h LEU 51 Cb 0.42 0.31 0.00 0.00 0.37 0.00 0.00 40.66 41.76 1d2h h LEU 51 CO -0.31 -0.33 -0.02 -0.07 -0.34 0.00 0.00 178.44 177.37 1d2h h LEU 52 N 0.08 -0.05 0.36 2.25 4.07 -0.13 -1.86 115.31 120.02 1d2h h LEU 52 Ca 0.73 -0.05 -0.02 0.00 0.08 0.00 0.00 57.88 58.62 1d2h h LEU 52 Cb 1.75 0.01 0.00 0.00 1.08 0.00 0.00 40.66 43.50 1d2h h LEU 52 CO -0.77 0.01 -0.17 0.03 -1.08 0.00 0.00 178.44 176.46 1d2h h ARG 53 N -0.11 -0.47 -0.35 1.13 3.08 0.19 0.11 114.38 117.95 1d2h h ARG 53 Ca -0.01 0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.18 1d2h h ARG 53 Cb 0.10 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1d2h h ARG 53 CO 0.01 -0.15 0.63 0.37 -1.07 0.00 0.00 179.97 179.77 1d2h h GLN 54 N -0.85 0.00 -0.30 0.04 4.15 0.98 1.07 115.11 120.19 1d2h h GLN 54 Ca -0.05 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1d2h h GLN 54 Cb 0.53 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.22 1d2h h GLN 54 CO 0.08 0.00 0.00 0.72 -1.93 0.00 0.00 178.83 177.70 1d2h n HIS 55 N -3.21 0.76 -3.96 3.99 8.25 -0.70 -5.00 115.22 115.35 1d2h n HIS 55 Ca 0.07 -0.71 -0.26 0.00 -0.26 0.00 0.00 57.72 56.55 1d2h n HIS 55 Cb 0.77 -0.19 -0.02 0.00 1.12 0.00 0.00 29.99 31.66 1d2h n HIS 55 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1d2h n GLY 56 N -0.05 -0.27 3.89 -1.41 0.00 0.37 -4.97 105.19 102.74 1d2h n GLY 56 Ca 0.17 0.17 -0.35 0.00 0.00 0.00 0.00 46.02 46.01 1d2h n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d2h n HIS 58 N 1.51 -0.65 -2.54 0.00 8.25 -1.26 -4.67 115.22 115.86 1d2h n HIS 58 Ca -0.16 0.11 -0.43 0.00 -0.26 0.00 0.00 57.72 56.99 1d2h n HIS 58 Cb 0.54 0.33 -0.02 0.00 1.12 0.00 0.00 29.99 31.96 1d2h n HIS 58 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1d2h s ARG 59 N -2.00 4.11 -0.12 -0.41 0.52 -1.26 -1.48 118.95 118.31 1d2h s ARG 59 Ca 0.00 1.31 0.00 0.00 -0.52 0.00 0.00 55.73 56.52 1d2h s ARG 59 Cb 0.00 -3.76 0.02 0.00 0.52 0.00 0.00 34.95 31.73 1d2h s ARG 59 CO 0.00 -0.86 -0.10 0.08 0.02 0.00 0.00 175.30 174.44 1d2h s VAL 60 N 3.70 1.22 -0.23 3.52 1.01 -0.72 -1.11 120.40 127.78 1d2h s VAL 60 Ca 0.50 -0.42 -0.15 0.00 0.00 0.00 0.00 61.98 61.91 1d2h s VAL 60 Cb -0.16 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1d2h s VAL 60 CO 0.15 0.40 0.35 -0.22 0.00 0.00 0.00 175.10 175.78 1d2h s LEU 61 N 1.52 4.11 -0.52 3.92 2.96 -0.31 -1.64 118.68 128.73 1d2h s LEU 61 Ca 0.03 0.38 -0.14 0.00 -0.22 0.00 0.00 54.13 54.18 1d2h s LEU 61 Cb -0.13 -2.42 0.12 0.00 0.50 0.00 0.00 46.19 44.26 1d2h s LEU 61 CO -0.08 -0.09 0.46 -0.62 -1.32 0.00 0.00 176.35 174.70 1d2h s ASP 62 N 1.23 6.07 0.00 3.68 -1.08 -0.73 -1.60 116.67 124.24 1d2h s ASP 62 Ca 0.16 -1.78 0.00 0.00 -0.52 0.00 0.00 52.55 50.41 1d2h s ASP 62 Cb -0.15 -2.16 0.00 0.00 -1.46 0.00 0.00 42.92 39.15 1d2h s ASP 62 CO 0.08 -0.81 0.53 1.33 0.52 0.00 0.00 175.17 176.82 1d2h n VAL 63 N 5.17 0.26 -2.71 1.11 0.24 -0.81 -1.34 118.33 120.26 1d2h n VAL 63 Ca -0.13 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.11 1d2h n VAL 63 Cb 0.40 -0.56 0.08 0.00 -1.47 0.00 0.00 33.84 32.30 1d2h n VAL 63 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1d2h n ALA 64 N 0.27 -2.04 -0.29 2.33 0.00 -0.84 -4.80 120.51 115.14 1d2h n ALA 64 Ca 0.00 -0.98 0.14 0.00 0.00 0.00 0.00 53.44 52.61 1d2h n ALA 64 Cb 0.26 -2.06 0.39 0.00 0.00 0.00 0.00 19.45 18.04 1d2h n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1d2h n GLY 66 N -1.42 3.75 0.00 0.00 0.00 -1.26 -0.59 105.19 105.67 1d2h n GLY 66 Ca 0.20 0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.38 1d2h n GLY 66 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1d2h n THR 67 N 0.00 0.01 0.00 2.61 5.66 -1.26 -3.36 114.28 117.94 1d2h n THR 67 Ca 0.00 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 1d2h n THR 67 Cb 0.00 0.30 0.00 0.00 -1.55 0.00 0.00 70.33 69.08 1d2h n THR 67 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1d2h n GLY 68 N 1.49 2.08 0.00 1.09 0.00 0.24 -2.22 105.19 107.87 1d2h n GLY 68 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1d2h n GLY 68 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1d2h n VAL 69 N -0.29 0.00 0.29 1.61 0.24 -1.26 0.90 118.33 119.82 1d2h n VAL 69 Ca 0.00 0.25 -0.14 0.00 -2.04 0.00 0.00 64.34 62.41 1d2h n VAL 69 Cb 0.00 -0.34 -0.07 0.00 -1.47 0.00 0.00 33.84 31.96 1d2h n VAL 69 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1d2h h ASP 70 N 0.00 -0.66 -0.64 -1.34 5.19 -1.95 -2.87 116.42 114.15 1d2h h ASP 70 Ca 0.00 -0.03 0.12 0.00 -0.62 0.00 0.00 57.03 56.49 1d2h h ASP 70 Cb 0.00 0.17 -0.12 0.00 0.18 0.00 0.00 39.33 39.56 1d2h h ASP 70 CO 0.00 -0.29 -0.29 0.28 -3.12 0.00 0.00 179.24 175.82 1d2h h SER 71 N -1.08 -1.03 -0.79 6.45 0.02 -1.73 0.77 113.55 116.16 1d2h h SER 71 Ca -0.08 0.23 0.17 0.00 -0.84 0.00 0.00 61.79 61.27 1d2h h SER 71 Cb 0.65 0.54 -0.15 0.00 0.14 0.00 0.00 62.40 63.59 1d2h h SER 71 CO 0.13 -0.28 -0.12 0.40 -1.14 0.00 0.00 176.83 175.82 1d2h h ILE 72 N -0.11 0.24 0.03 3.27 5.03 0.50 0.69 117.51 127.16 1d2h h ILE 72 Ca 0.27 -0.01 -0.00 0.00 -0.12 0.00 0.00 64.86 65.00 1d2h h ILE 72 Cb 0.54 0.21 -0.00 0.00 -3.03 0.00 0.00 36.82 34.54 1d2h h ILE 72 CO -0.71 0.01 -0.03 -0.03 -0.68 0.00 0.00 178.15 176.71 1d2h h MET 73 N 0.03 -0.05 -0.93 2.37 4.05 0.73 -1.06 114.93 120.07 1d2h h MET 73 Ca 0.40 0.00 0.27 0.00 -0.28 0.00 0.00 59.70 60.10 1d2h h MET 73 Cb 0.66 0.01 -0.16 0.00 -0.80 0.00 0.00 31.60 31.32 1d2h h MET 73 CO -0.77 -0.03 0.26 -0.07 0.23 0.00 0.00 176.91 176.53 1d2h h LEU 74 N -0.05 -0.01 0.00 3.39 3.38 -0.45 0.62 115.31 122.19 1d2h h LEU 74 Ca -0.00 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1d2h h LEU 74 Cb 0.05 0.30 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1d2h h LEU 74 CO -0.00 -0.23 0.00 0.52 0.09 0.00 0.00 178.44 178.82 1d2h n VAL 75 N -5.27 0.00 -0.23 1.22 0.31 0.23 -0.54 118.33 114.06 1d2h n VAL 75 Ca 0.25 1.47 0.00 0.00 -0.01 0.00 0.00 64.34 66.04 1d2h n VAL 75 Cb 0.80 -2.08 0.12 0.00 -0.91 0.00 0.00 33.84 31.77 1d2h n VAL 75 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1d2h h GLU 76 N 0.00 0.56 0.00 5.55 5.08 0.21 0.20 114.58 126.18 1d2h h GLU 76 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1d2h h GLU 76 Cb 0.00 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1d2h h GLU 76 CO 0.00 0.37 0.36 0.39 -1.00 0.00 0.00 179.01 179.13 1d2h n GLU 77 N -4.88 0.07 -1.07 2.33 -0.58 0.20 -4.75 120.64 111.96 1d2h n GLU 77 Ca 0.10 0.53 0.00 0.00 -0.42 0.00 0.00 57.16 57.37 1d2h n GLU 77 Cb 0.25 -2.09 0.00 0.00 -0.57 0.00 0.00 31.44 29.02 1d2h n GLU 77 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1d2h n GLY 78 N -1.27 0.86 3.08 0.62 0.00 0.69 -5.02 105.19 104.16 1d2h n GLY 78 Ca -0.01 -0.44 -0.17 0.00 0.00 0.00 0.00 46.02 45.40 1d2h n GLY 78 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1d2h s PHE 79 N -2.65 0.93 -1.13 1.61 0.40 -0.81 -5.01 117.98 111.32 1d2h s PHE 79 Ca 0.00 -0.33 -0.21 0.00 -0.60 0.00 0.00 56.93 55.79 1d2h s PHE 79 Cb 0.00 -0.56 0.05 0.00 0.51 0.00 0.00 43.02 43.02 1d2h s PHE 79 CO 0.00 -0.01 1.61 0.45 0.70 0.00 0.00 175.22 177.97 1d2h s SER 80 N -0.99 6.50 -0.31 1.36 0.15 -0.55 -4.48 113.70 115.37 1d2h s SER 80 Ca -0.01 -1.79 -0.19 0.00 0.70 0.00 0.00 55.95 54.66 1d2h s SER 80 Cb -0.07 -2.57 -0.01 0.00 -1.71 0.00 0.00 66.02 61.65 1d2h s SER 80 CO 0.01 -1.51 0.54 0.54 1.20 0.00 0.00 173.24 174.02 1d2h s VAL 81 N 5.22 5.01 -0.51 4.45 0.11 -1.26 -1.76 120.40 131.66 1d2h s VAL 81 Ca 0.51 0.65 -0.04 0.00 -2.93 0.00 0.00 61.98 60.17 1d2h s VAL 81 Cb 0.01 -3.93 0.13 0.00 -1.53 0.00 0.00 36.38 31.06 1d2h s VAL 81 CO -0.02 -0.10 0.32 0.28 -3.33 0.00 0.00 175.10 172.25 1d2h s THR 82 N 2.43 3.59 -0.14 5.04 -1.32 -0.65 -2.29 115.64 122.31 1d2h s THR 82 Ca 0.21 -2.39 -0.07 0.00 -1.21 0.00 0.00 61.69 58.23 1d2h s THR 82 Cb -0.15 -3.40 -0.04 0.00 -1.51 0.00 0.00 72.50 67.40 1d2h s THR 82 CO 0.12 -0.78 0.13 -0.94 -2.21 0.00 0.00 174.62 170.94 1d2h s SER 83 N 1.48 6.27 0.01 8.08 1.04 -0.17 -1.77 113.70 128.63 1d2h s SER 83 Ca 0.12 0.39 -0.00 0.00 0.48 0.00 0.00 55.95 56.94 1d2h s SER 83 Cb -0.22 -2.04 -0.01 0.00 0.10 0.00 0.00 66.02 63.86 1d2h s SER 83 CO -0.04 0.36 -0.01 0.68 0.98 0.00 0.00 173.24 175.21 1d2h s VAL 84 N -0.72 0.05 0.05 5.02 -7.23 -0.45 -1.15 120.40 115.97 1d2h s VAL 84 Ca 0.13 -0.40 -0.01 0.00 -1.81 0.00 0.00 61.98 59.89 1d2h s VAL 84 Cb -0.12 -0.13 -0.04 0.00 0.56 0.00 0.00 36.38 36.66 1d2h s VAL 84 CO 0.03 -0.22 -0.03 -0.62 -0.31 0.00 0.00 175.10 173.94 1d2h s ASP 85 N -0.65 0.52 0.00 4.85 2.15 -0.40 -1.98 116.67 121.16 1d2h s ASP 85 Ca -0.07 -0.98 0.28 0.00 0.43 0.00 0.00 52.55 52.20 1d2h s ASP 85 Cb -0.04 0.19 1.04 0.00 -0.30 0.00 0.00 42.92 43.80 1d2h s ASP 85 CO -0.00 -0.58 1.74 0.00 -0.17 0.00 0.00 175.17 176.15 1d2h n ALA 86 N 0.16 2.77 -3.22 3.66 0.00 -0.74 -1.60 120.51 121.54 1d2h n ALA 86 Ca -0.14 -0.39 -0.34 0.00 0.00 0.00 0.00 53.44 52.56 1d2h n ALA 86 Cb 0.61 -1.20 -0.13 0.00 0.00 0.00 0.00 19.45 18.72 1d2h n ALA 86 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1d2h s SER 87 N -2.23 4.49 0.07 0.00 0.15 -1.26 -4.78 113.70 110.14 1d2h s SER 87 Ca 0.33 -0.28 -0.30 0.00 0.70 0.00 0.00 55.95 56.40 1d2h s SER 87 Cb 0.20 -1.75 -0.18 0.00 -1.71 0.00 0.00 66.02 62.58 1d2h s SER 87 CO 0.42 0.07 1.64 0.44 1.20 0.00 0.00 173.24 177.00 1d2h h ASP 88 N 7.47 -0.54 -0.70 5.45 3.32 -1.99 -1.23 116.42 128.20 1d2h h ASP 88 Ca -0.35 0.01 0.15 0.00 0.02 0.00 0.00 57.03 56.86 1d2h h ASP 88 Cb 1.18 0.14 -0.11 0.00 0.22 0.00 0.00 39.33 40.76 1d2h h ASP 88 CO 0.60 -0.37 0.08 0.11 -1.72 0.00 0.00 179.24 177.94 1d2h h LYS 89 N -0.66 0.18 0.27 3.56 1.57 -2.00 0.09 116.57 119.58 1d2h h LYS 89 Ca -0.07 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1d2h h LYS 89 Cb 0.50 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1d2h h LYS 89 CO 0.11 0.12 -0.13 0.52 -0.57 0.00 0.00 179.45 179.50 1d2h h MET 90 N 0.18 -0.35 -0.99 3.15 2.86 -1.84 -3.27 114.93 114.68 1d2h h MET 90 Ca 0.38 0.02 0.32 0.00 -2.06 0.00 0.00 59.70 58.37 1d2h h MET 90 Cb 0.65 0.08 -0.18 0.00 0.06 0.00 0.00 31.60 32.20 1d2h h MET 90 CO -0.54 -0.23 0.20 -0.11 1.06 0.00 0.00 176.91 177.28 1d2h n LEU 91 N -3.82 0.05 -0.27 1.22 7.94 -0.47 0.44 117.00 122.09 1d2h n LEU 91 Ca -0.04 1.67 0.23 0.00 -1.11 0.00 0.00 56.01 56.76 1d2h n LEU 91 Cb 0.14 -0.68 0.43 0.00 0.53 0.00 0.00 43.42 43.84 1d2h n LEU 91 CO 0.11 -1.75 0.82 2.29 -1.11 0.00 0.00 177.39 177.75 1d2h n LYS 92 N -5.40 -0.05 0.12 1.96 2.85 0.01 -0.11 118.16 117.53 1d2h n LYS 92 Ca 0.28 1.15 -0.22 0.00 -1.05 0.00 0.00 58.31 58.48 1d2h n LYS 92 Cb 0.94 -2.02 -0.14 0.00 -0.65 0.00 0.00 35.03 33.17 1d2h n LYS 92 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 177.40 179.23 1d2h h TYR 93 N 0.00 0.87 -0.60 5.58 0.05 -0.16 -2.84 116.97 119.88 1d2h h TYR 93 Ca 0.65 -0.60 -0.07 0.00 0.05 0.00 0.00 58.73 58.77 1d2h h TYR 93 Cb 1.66 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 39.33 1d2h h TYR 93 CO -0.10 1.45 0.10 0.00 -1.05 0.00 0.00 178.16 178.57 1d2h h ALA 94 N 0.32 1.05 -0.23 3.88 0.00 -0.04 -2.39 119.26 121.86 1d2h h ALA 94 Ca -0.20 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.49 1d2h h ALA 94 Cb 2.02 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 19.55 1d2h h ALA 94 CO 0.24 0.61 0.07 -0.07 0.00 0.00 0.00 179.25 180.11 1d2h h LEU 95 N 0.91 0.07 -0.31 0.00 -0.00 -1.17 -2.64 115.31 112.17 1d2h h LEU 95 Ca 0.19 0.03 0.07 0.00 -0.00 0.00 0.00 57.88 58.16 1d2h h LEU 95 Cb 0.39 0.02 -0.07 0.00 -0.00 0.00 0.00 40.66 41.00 1d2h h LEU 95 CO 0.01 0.07 -0.17 0.11 -0.00 0.00 0.00 178.44 178.46 1d2h h LYS 96 N 0.17 -0.13 -0.98 1.13 1.57 -1.18 0.87 116.57 118.02 1d2h h LYS 96 Ca 0.10 0.01 0.22 0.00 -1.87 0.00 0.00 60.65 59.11 1d2h h LYS 96 Cb 0.07 0.03 -0.12 0.00 0.08 0.00 0.00 32.23 32.30 1d2h h LYS 96 CO -0.11 -0.09 0.56 0.93 -0.57 0.00 0.00 179.45 180.18 1d2h h GLU 97 N -0.13 0.59 0.55 3.15 4.39 -1.14 -1.83 114.58 120.16 1d2h h GLU 97 Ca 0.16 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.80 1d2h h GLU 97 Cb 0.38 -0.13 0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1d2h h GLU 97 CO -0.39 0.39 -0.26 -0.09 -1.16 0.00 0.00 179.01 177.50 1d2h h ARG 98 N 0.61 -0.71 -0.96 2.33 2.43 -0.52 -2.23 114.38 115.33 1d2h h ARG 98 Ca 0.61 0.05 0.11 0.00 -0.81 0.00 0.00 59.98 59.93 1d2h h ARG 98 Cb 1.08 0.16 -0.13 0.00 -0.42 0.00 0.00 29.97 30.67 1d2h h ARG 98 CO -0.45 -0.47 -0.50 1.87 -1.51 0.00 0.00 179.97 178.90 1d2h n TRP 99 N -4.01 -0.28 -0.02 2.20 -0.00 -0.74 0.17 117.44 114.76 1d2h n TRP 99 Ca -0.09 1.19 -0.13 0.00 -0.00 0.00 0.00 57.50 58.47 1d2h n TRP 99 Cb 0.29 -0.67 -0.09 0.00 -0.00 0.00 0.00 31.31 30.85 1d2h n TRP 99 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 1d2h h ASN 100 N 0.00 -1.54 -0.04 5.87 -0.26 -1.41 0.29 115.58 118.50 1d2h h ASN 100 Ca 0.21 0.18 0.00 0.00 -0.56 0.00 0.00 56.30 56.13 1d2h h ASN 100 Cb 0.45 0.60 0.00 0.00 -1.06 0.00 0.00 38.32 38.31 1d2h h ASN 100 CO -0.92 -0.42 0.00 0.54 -1.06 0.00 0.00 177.43 175.57 1d2h n ARG 101 N -5.08 1.17 0.27 0.81 1.74 -0.23 -3.81 116.66 111.53 1d2h n ARG 101 Ca -0.05 -0.17 0.17 0.00 -0.77 0.00 0.00 57.85 57.03 1d2h n ARG 101 Cb 0.33 -1.35 0.91 0.00 -1.02 0.00 0.00 32.46 31.33 1d2h n ARG 101 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 1d2h h ARG 102 N 0.23 0.00 0.00 5.56 0.11 0.56 0.64 114.38 121.48 1d2h h ARG 102 Ca 0.00 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.02 1d2h h ARG 102 Cb 0.39 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.46 1d2h h ARG 102 CO 0.02 0.00 -0.26 0.87 0.10 0.00 0.00 179.97 180.69 1d2h h LYS 103 N 0.00 0.00 -6.58 0.08 1.79 -1.74 -3.39 116.57 106.73 1d2h h LYS 103 Ca 0.04 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.94 1d2h h LYS 103 Cb 0.24 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.82 1d2h h LYS 103 CO -0.00 0.26 0.87 -1.21 -1.08 0.00 0.00 179.45 178.29 1d2h s GLU 104 N -3.91 3.74 0.43 3.15 2.02 0.22 -4.89 118.70 119.46 1d2h s GLU 104 Ca -0.01 0.57 0.34 0.00 0.02 0.00 0.00 54.97 55.88 1d2h s GLU 104 Cb 0.12 -3.89 1.43 0.00 0.10 0.00 0.00 34.13 31.90 1d2h s GLU 104 CO 0.65 -1.30 1.44 -0.35 0.02 0.00 0.00 175.26 175.73 1d2h n PRO 105 N 7.63 -0.03 0.12 0.39 -0.04 -1.26 -0.75 135.00 141.05 1d2h n PRO 105 Ca 0.11 1.12 -0.05 0.00 -0.04 0.00 0.00 63.50 64.64 1d2h n PRO 105 Cb 0.49 -2.29 -0.03 0.00 -0.04 0.00 0.00 33.50 31.63 1d2h n PRO 105 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1d2h h ALA 106 N 1.34 -1.00 -0.17 0.55 0.00 -1.90 -3.21 119.26 114.88 1d2h h ALA 106 Ca 0.83 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.71 1d2h h ALA 106 Cb 2.83 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 20.85 1d2h h ALA 106 CO -0.33 -0.99 0.12 0.74 0.00 0.00 0.00 179.25 178.79 1d2h h PHE 107 N -0.32 0.04 -0.98 0.00 -1.00 -1.16 -2.17 116.94 111.36 1d2h h PHE 107 Ca -0.03 0.00 0.21 0.00 2.81 0.00 0.00 57.97 60.96 1d2h h PHE 107 Cb 0.26 -0.01 -0.09 0.00 3.61 0.00 0.00 35.95 39.71 1d2h h PHE 107 CO 0.05 0.02 0.62 0.22 -1.61 0.00 0.00 178.31 177.62 1d2h h ASP 108 N 0.04 0.60 -0.06 2.17 3.58 -1.45 -1.62 116.42 119.67 1d2h h ASP 108 Ca 0.08 0.08 -0.20 0.00 0.42 0.00 0.00 57.03 57.40 1d2h h ASP 108 Cb 0.26 -0.03 0.01 0.00 1.72 0.00 0.00 39.33 41.29 1d2h h ASP 108 CO -0.01 0.21 -0.75 0.11 -2.88 0.00 0.00 179.24 175.92 1d2h h LYS 109 N 0.58 0.61 -5.34 0.28 6.56 -1.47 -3.47 116.57 114.32 1d2h h LYS 109 Ca 0.54 -0.58 -0.59 0.00 -1.06 0.00 0.00 60.65 58.96 1d2h h LYS 109 Cb 1.10 0.15 0.10 0.00 -0.57 0.00 0.00 32.23 33.01 1d2h h LYS 109 CO -0.29 1.19 -0.51 1.87 -2.06 0.00 0.00 179.45 179.64 1d2h n TRP 110 N -4.05 -0.60 -3.63 -1.35 -0.00 -0.61 -4.97 117.44 102.23 1d2h n TRP 110 Ca -0.09 0.83 -0.27 0.00 -0.00 0.00 0.00 57.50 57.97 1d2h n TRP 110 Cb 0.73 -1.73 -0.17 0.00 -0.00 0.00 0.00 31.31 30.15 1d2h n TRP 110 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 177.69 177.77 1d2h s VAL 111 N -0.96 0.04 -0.12 5.87 1.01 -0.97 -5.04 120.40 120.22 1d2h s VAL 111 Ca 0.57 -0.29 -0.16 0.00 0.00 0.00 0.00 61.98 62.10 1d2h s VAL 111 Cb -0.80 -0.70 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 1d2h s VAL 111 CO 0.51 -0.30 0.39 -0.63 0.00 0.00 0.00 175.10 175.06 1d2h s ILE 112 N 2.08 5.23 0.03 2.22 1.09 -1.14 -1.00 121.20 129.71 1d2h s ILE 112 Ca 0.02 0.76 -0.00 0.00 -1.10 0.00 0.00 60.65 60.33 1d2h s ILE 112 Cb -0.16 -3.72 -0.03 0.00 -1.06 0.00 0.00 42.46 37.49 1d2h s ILE 112 CO -0.11 0.38 -0.03 -0.70 -0.10 0.00 0.00 174.94 174.38 1d2h s GLU 113 N 0.38 0.42 0.53 2.79 2.12 -0.30 -4.95 118.70 119.68 1d2h s GLU 113 Ca 0.22 -0.84 -0.16 0.00 0.36 0.00 0.00 54.97 54.55 1d2h s GLU 113 Cb -0.14 0.14 -0.07 0.00 0.26 0.00 0.00 34.13 34.31 1d2h s GLU 113 CO 0.08 -0.07 0.99 -1.21 -0.54 0.00 0.00 175.26 174.51 1d2h s GLU 114 N -2.37 3.90 0.00 4.30 2.02 -1.26 -1.27 118.70 124.02 1d2h s GLU 114 Ca -0.07 0.94 0.00 0.00 0.02 0.00 0.00 54.97 55.85 1d2h s GLU 114 Cb -0.03 -2.13 0.00 0.00 0.10 0.00 0.00 34.13 32.07 1d2h s GLU 114 CO -0.04 -0.31 0.00 0.00 0.02 0.00 0.00 175.26 174.92 1d2h n ALA 115 N -1.71 0.00 -3.31 5.21 0.00 -0.63 -4.78 120.51 115.29 1d2h n ALA 115 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.32 1d2h n ALA 115 Cb 0.54 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.83 1d2h n ALA 115 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1d2h s ASN 116 N 0.00 0.84 0.48 0.00 3.84 -1.26 -1.79 114.94 117.05 1d2h s ASN 116 Ca 0.00 -0.12 0.22 0.00 0.21 0.00 0.00 52.86 53.17 1d2h s ASN 116 Cb 0.00 -0.31 1.25 0.00 -0.55 0.00 0.00 41.25 41.64 1d2h s ASN 116 CO 0.00 -0.01 1.91 -0.50 -2.79 0.00 0.00 177.10 175.72 1d2h h TRP 117 N 6.74 0.27 0.00 0.43 6.55 -1.93 1.16 115.95 129.17 1d2h h TRP 117 Ca -0.35 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.49 1d2h h TRP 117 Cb 1.16 -0.08 0.00 0.00 -0.86 0.00 0.00 29.16 29.38 1d2h h TRP 117 CO 0.47 0.08 0.00 1.28 -1.05 0.00 0.00 178.44 179.22 1d2h n LEU 118 N -4.41 0.00 -0.25 -4.49 4.32 -1.26 -3.08 117.00 107.83 1d2h n LEU 118 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.15 1d2h n LEU 118 Cb 0.70 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.50 1d2h n LEU 118 CO 0.35 0.00 0.13 0.35 -1.22 0.00 0.00 177.39 176.99 1d2h n THR 119 N -0.81 0.00 -0.35 -5.08 -2.24 0.13 -4.95 114.28 100.98 1d2h n THR 119 Ca 0.07 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.82 1d2h n THR 119 Cb 0.03 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.27 1d2h n THR 119 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1d2h n LEU 120 N 0.00 -0.66 0.00 3.22 7.94 0.36 -2.17 117.00 125.69 1d2h n LEU 120 Ca 0.00 1.56 0.00 0.00 -1.11 0.00 0.00 56.01 56.46 1d2h n LEU 120 Cb 0.38 -0.32 0.00 0.00 0.53 0.00 0.00 43.42 44.01 1d2h n LEU 120 CO 0.00 -1.37 0.24 -0.90 -1.11 0.00 0.00 177.39 174.26 1d2h n ASP 121 N -5.26 0.00 -0.32 1.96 3.85 -1.26 0.15 116.55 115.66 1d2h n ASP 121 Ca 0.07 0.49 0.16 0.00 -0.71 0.00 0.00 54.79 54.80 1d2h n ASP 121 Cb 0.33 -0.12 0.40 0.00 -1.35 0.00 0.00 41.12 40.37 1d2h n ASP 121 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.20 176.30 1d2h h LYS 122 N 0.00 0.59 0.00 0.11 1.79 -1.85 -1.28 116.57 115.92 1d2h h LYS 122 Ca 0.00 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1d2h h LYS 122 Cb 0.00 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.52 1d2h h LYS 122 CO 0.00 0.39 -0.12 -0.25 -1.08 0.00 0.00 179.45 178.39 1d2h n ASP 123 N -4.69 0.44 -3.50 0.86 8.00 0.66 -4.70 116.55 113.62 1d2h n ASP 123 Ca 0.23 0.41 -0.22 0.00 0.71 0.00 0.00 54.79 55.93 1d2h n ASP 123 Cb 0.67 -0.46 -0.13 0.00 -0.02 0.00 0.00 41.12 41.17 1d2h n ASP 123 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1d2h s VAL 124 N -3.06 -0.25 -0.60 2.53 1.01 0.39 -4.95 120.40 115.48 1d2h s VAL 124 Ca 0.12 -0.36 -0.23 0.00 0.00 0.00 0.00 61.98 61.50 1d2h s VAL 124 Cb 0.16 -0.81 0.06 0.00 0.00 0.00 0.00 36.38 35.79 1d2h s VAL 124 CO 0.59 -0.40 0.92 -2.16 0.00 0.00 0.00 175.10 174.05 1d2h s PRO 125 N 2.25 3.19 -1.00 2.72 0.04 -1.26 -4.58 135.00 136.36 1d2h s PRO 125 Ca 0.07 -0.63 -0.14 0.00 0.04 0.00 0.00 61.00 60.34 1d2h s PRO 125 Cb -0.15 -4.15 0.20 0.00 0.04 0.00 0.00 34.50 30.43 1d2h s PRO 125 CO -0.22 -1.63 1.08 0.00 0.04 0.00 0.00 177.00 176.27 1d2h s ALA 126 N 3.85 4.02 0.00 8.56 0.00 -1.26 -4.96 121.76 131.97 1d2h s ALA 126 Ca 0.24 -3.30 0.00 0.00 0.00 0.00 0.00 51.96 48.90 1d2h s ALA 126 Cb -0.16 -3.80 0.00 0.00 0.00 0.00 0.00 23.12 19.16 1d2h s ALA 126 CO 0.14 -2.56 0.00 0.41 0.00 0.00 0.00 175.76 173.75 1d2h n GLY 127 N 4.12 0.00 1.19 0.00 0.00 -1.26 0.04 105.19 109.28 1d2h n GLY 127 Ca 0.24 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.26 1d2h n GLY 127 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1d2h n ASP 128 N -0.93 2.00 0.00 1.61 9.92 -1.26 -5.10 116.55 122.80 1d2h n ASP 128 Ca 0.00 -3.29 0.00 0.00 -0.53 0.00 0.00 54.79 50.97 1d2h n ASP 128 Cb 0.00 -0.44 0.00 0.00 -0.64 0.00 0.00 41.12 40.04 1d2h n ASP 128 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1d2h n GLY 129 N -0.62 -1.53 0.90 0.44 0.00 0.11 -4.29 105.19 100.19 1d2h n GLY 129 Ca 0.19 -1.54 -0.06 0.00 0.00 0.00 0.00 46.02 44.61 1d2h n GLY 129 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1d2h n PHE 130 N -1.67 -1.48 -0.09 1.61 3.01 -0.65 -4.58 117.46 113.61 1d2h n PHE 130 Ca 0.00 -0.54 -0.23 0.00 1.01 0.00 0.00 57.45 57.68 1d2h n PHE 130 Cb 0.00 -0.11 -0.12 0.00 -0.01 0.00 0.00 39.48 39.24 1d2h n PHE 130 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1d2h n ASP 131 N -2.07 1.95 -3.74 4.37 10.43 -0.27 -1.57 116.55 125.65 1d2h n ASP 131 Ca 0.00 0.30 -0.22 0.00 2.57 0.00 0.00 54.79 57.44 1d2h n ASP 131 Cb 0.15 -0.86 -0.18 0.00 1.84 0.00 0.00 41.12 42.07 1d2h n ASP 131 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1d2h s ALA 132 N -2.45 0.55 -0.46 2.24 0.00 -0.80 -2.21 121.76 118.62 1d2h s ALA 132 Ca -0.31 -0.02 -0.09 0.00 0.00 0.00 0.00 51.96 51.54 1d2h s ALA 132 Cb 0.09 -0.70 0.12 0.00 0.00 0.00 0.00 23.12 22.62 1d2h s ALA 132 CO 0.60 -0.47 0.33 0.08 0.00 0.00 0.00 175.76 176.31 1d2h s VAL 133 N 2.03 4.16 -0.02 0.00 1.01 -0.58 -1.16 120.40 125.83 1d2h s VAL 133 Ca 0.05 -1.77 -0.10 0.00 0.00 0.00 0.00 61.98 60.15 1d2h s VAL 133 Cb -0.12 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 1d2h s VAL 133 CO -0.05 -0.75 0.30 0.27 0.00 0.00 0.00 175.10 174.88 1d2h s ILE 134 N 1.35 5.23 -0.37 2.22 -4.36 -0.63 -1.62 121.20 123.01 1d2h s ILE 134 Ca 0.06 0.49 0.13 0.00 -0.26 0.00 0.00 60.65 61.07 1d2h s ILE 134 Cb -0.26 -3.59 0.41 0.00 1.25 0.00 0.00 42.46 40.28 1d2h s ILE 134 CO -0.01 0.52 0.91 0.00 0.24 0.00 0.00 174.94 176.60 1d2h s LEU 136 N -3.01 3.93 0.00 0.00 2.01 -1.08 -2.24 118.68 118.29 1d2h s LEU 136 Ca 0.36 1.48 0.00 0.00 0.01 0.00 0.00 54.13 55.97 1d2h s LEU 136 Cb 0.40 -4.32 0.00 0.00 0.01 0.00 0.00 46.19 42.28 1d2h s LEU 136 CO -0.04 -0.34 0.00 0.61 1.01 0.00 0.00 176.35 177.59 1d2h n GLY 137 N -0.73 1.28 3.65 -3.19 0.00 -1.26 -4.47 105.19 100.48 1d2h n GLY 137 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 1d2h n GLY 137 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1d2h n ASN 138 N 0.00 -4.88 0.11 1.61 5.15 -1.25 -4.86 115.26 111.15 1d2h n ASN 138 Ca 0.00 -0.61 -0.19 0.00 -0.60 0.00 0.00 54.58 53.18 1d2h n ASN 138 Cb 0.00 -3.92 -0.14 0.00 -0.53 0.00 0.00 39.78 35.19 1d2h n ASN 138 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1d2h h SER 139 N -1.78 0.62 0.29 1.20 0.02 -1.78 -3.28 113.55 108.84 1d2h h SER 139 Ca -0.54 -0.64 0.00 0.00 -0.84 0.00 0.00 61.79 59.77 1d2h h SER 139 Cb 1.36 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1d2h h SER 139 CO 0.62 1.49 0.00 0.15 -1.14 0.00 0.00 176.83 177.95 1d2h h PHE 140 N 0.13 0.00 -0.35 3.45 3.57 -1.84 -2.32 116.94 119.59 1d2h h PHE 140 Ca -0.17 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.17 1d2h h PHE 140 Cb 2.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.73 1d2h h PHE 140 CO 0.09 0.00 -0.40 0.00 -2.23 0.00 0.00 178.31 175.77 1d2h h ALA 141 N 2.08 0.64 -1.10 2.41 0.00 -1.84 -3.11 119.26 118.34 1d2h h ALA 141 Ca 0.00 -0.46 0.31 0.00 0.00 0.00 0.00 54.91 54.76 1d2h h ALA 141 Cb 0.15 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1d2h h ALA 141 CO 0.00 0.67 0.76 0.45 0.00 0.00 0.00 179.25 181.13 1d2h h HIS 142 N 0.69 0.24 -1.77 0.00 3.86 -1.60 -2.20 115.15 114.37 1d2h h HIS 142 Ca 0.05 0.01 -0.50 0.00 -1.16 0.00 0.00 60.37 58.77 1d2h h HIS 142 Cb 0.97 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.38 1d2h h HIS 142 CO 0.06 0.02 1.57 -1.17 0.86 0.00 0.00 177.93 179.27 1d2h s LEU 143 N -8.85 3.41 0.47 2.43 2.96 -1.18 -4.79 118.68 113.13 1d2h s LEU 143 Ca -0.06 1.26 -0.21 0.00 -0.22 0.00 0.00 54.13 54.90 1d2h s LEU 143 Cb 0.24 -2.81 -0.09 0.00 0.50 0.00 0.00 46.19 44.03 1d2h s LEU 143 CO 0.80 -2.58 1.03 -2.84 -1.32 0.00 0.00 176.35 171.44 1d2h s PRO 144 N 7.61 3.90 -1.44 0.98 0.02 -1.26 -4.66 135.00 140.15 1d2h s PRO 144 Ca 0.96 1.34 -0.10 0.00 0.02 0.00 0.00 61.00 63.22 1d2h s PRO 144 Cb -0.21 -2.15 0.05 0.00 0.02 0.00 0.00 34.50 32.21 1d2h s PRO 144 CO 0.28 -0.34 2.40 -3.47 -0.33 0.00 0.00 177.00 175.53 1d2h n ASP 145 N -0.83 6.51 -0.01 2.53 4.64 -1.26 -4.82 116.55 123.32 1d2h n ASP 145 Ca 0.09 -2.90 -0.02 0.00 -1.38 0.00 0.00 54.79 50.58 1d2h n ASP 145 Cb 0.52 -1.52 -0.01 0.00 -1.04 0.00 0.00 41.12 39.07 1d2h n ASP 145 CO 0.00 0.00 0.00 0.28 -0.82 0.00 0.00 177.20 176.66 1d2h h SER 146 N 5.33 -0.23 0.00 1.67 0.02 -1.93 -2.07 113.55 116.35 1d2h h SER 146 Ca 0.65 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.63 1d2h h SER 146 Cb 0.46 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1d2h h SER 146 CO 1.71 -0.06 0.00 0.29 -1.14 0.00 0.00 176.83 177.63 1d2h n LYS 147 N -2.98 0.00 0.00 3.45 5.02 -1.26 -4.85 118.16 117.54 1d2h n LYS 147 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1d2h n LYS 147 Cb 0.05 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 1d2h n LYS 147 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1d2h n GLY 148 N -0.82 2.01 3.47 0.72 0.00 -0.78 -4.93 105.19 104.87 1d2h n GLY 148 Ca 0.00 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 1d2h n GLY 148 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1d2h n ASP 149 N 3.84 -2.57 -1.77 1.61 3.85 -1.26 -4.90 116.55 115.35 1d2h n ASP 149 Ca 0.00 -1.12 -0.03 0.00 -0.71 0.00 0.00 54.79 52.94 1d2h n ASP 149 Cb 0.00 -1.01 0.27 0.00 -1.35 0.00 0.00 41.12 39.03 1d2h n ASP 149 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1d2h n GLN 150 N -5.10 3.48 -0.08 0.11 6.02 -1.26 -4.54 117.38 116.01 1d2h n GLN 150 Ca 0.15 -2.54 -0.07 0.00 -0.01 0.00 0.00 57.00 54.53 1d2h n GLN 150 Cb 0.60 -2.08 -0.00 0.00 1.02 0.00 0.00 30.24 29.78 1d2h n GLN 150 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1d2h h SER 151 N 2.45 -0.48 0.04 1.08 4.64 -1.94 -2.39 113.55 116.95 1d2h h SER 151 Ca 0.17 0.12 0.02 0.00 -0.47 0.00 0.00 61.79 61.63 1d2h h SER 151 Cb 1.99 0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 64.29 1d2h h SER 151 CO 0.57 -0.18 -0.49 -0.33 -0.87 0.00 0.00 176.83 175.54 1d2h h GLU 152 N -0.10 -0.63 -1.33 4.77 5.08 -1.94 0.99 114.58 121.42 1d2h h GLU 152 Ca 0.16 0.04 0.39 0.00 -1.00 0.00 0.00 59.36 58.94 1d2h h GLU 152 Cb 0.33 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.66 1d2h h GLU 152 CO -0.36 -0.42 0.94 0.45 -1.00 0.00 0.00 179.01 178.61 1d2h h HIS 153 N -0.66 0.14 0.11 4.33 3.86 -1.81 -0.94 115.15 120.18 1d2h h HIS 153 Ca 0.02 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1d2h h HIS 153 Cb 0.71 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.14 1d2h h HIS 153 CO -0.46 -0.01 -0.05 0.00 0.86 0.00 0.00 177.93 178.27 1d2h h ARG 154 N 0.06 -0.14 -0.76 2.45 2.47 -0.31 -1.31 114.38 116.84 1d2h h ARG 154 Ca 0.66 0.01 0.13 0.00 -1.26 0.00 0.00 59.98 59.53 1d2h h ARG 154 Cb 2.48 0.03 -0.14 0.00 -1.65 0.00 0.00 29.97 30.70 1d2h h ARG 154 CO -0.08 -0.09 -0.31 1.25 0.56 0.00 0.00 179.97 181.29 1d2h h LEU 155 N -0.15 -1.11 0.00 3.04 5.85 -0.97 1.02 115.31 122.99 1d2h h LEU 155 Ca -0.01 0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1d2h h LEU 155 Cb 0.11 0.60 0.00 0.00 0.37 0.00 0.00 40.66 41.74 1d2h h LEU 155 CO 0.02 -0.29 0.00 0.00 -0.34 0.00 0.00 178.44 177.83 1d2h n ALA 156 N -3.29 -0.13 -0.00 1.25 0.00 -0.77 0.78 120.51 118.35 1d2h n ALA 156 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.42 1d2h n ALA 156 Cb 0.38 0.33 -0.03 0.00 0.00 0.00 0.00 19.45 20.13 1d2h n ALA 156 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1d2h h LEU 157 N 0.00 -0.84 -0.81 0.00 4.07 -0.57 -0.87 115.31 116.28 1d2h h LEU 157 Ca 0.00 0.13 0.14 0.00 0.08 0.00 0.00 57.88 58.23 1d2h h LEU 157 Cb 0.00 0.37 -0.15 0.00 1.08 0.00 0.00 40.66 41.96 1d2h h LEU 157 CO 0.00 -0.32 -0.31 0.50 -1.08 0.00 0.00 178.44 177.23 1d2h h LYS 158 N -0.34 -0.05 -0.62 1.13 3.64 0.15 0.52 116.57 121.00 1d2h h LYS 158 Ca 0.10 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.41 1d2h h LYS 158 Cb 0.49 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1d2h h LYS 158 CO -0.33 -0.03 0.10 -0.91 -2.27 0.00 0.00 179.45 176.01 1d2h h ASN 159 N -0.05 0.98 -0.46 4.20 -0.26 0.11 -3.09 115.58 117.01 1d2h h ASN 159 Ca 0.33 -0.26 0.02 0.00 -0.56 0.00 0.00 56.30 55.84 1d2h h ASN 159 Cb 0.59 -0.26 -0.03 0.00 -1.06 0.00 0.00 38.32 37.56 1d2h h ASN 159 CO -0.85 0.99 0.26 0.40 -1.06 0.00 0.00 177.43 177.17 1d2h h ILE 160 N 0.93 1.03 -0.13 2.81 5.03 0.44 -2.76 117.51 124.87 1d2h h ILE 160 Ca 0.19 -0.18 0.02 0.00 -0.12 0.00 0.00 64.86 64.77 1d2h h ILE 160 Cb 0.43 0.45 -0.02 0.00 -3.03 0.00 0.00 36.82 34.65 1d2h h ILE 160 CO 0.01 0.10 -0.02 0.00 -0.68 0.00 0.00 178.15 177.55 1d2h h ALA 161 N 1.21 0.09 -1.08 1.87 0.00 -1.26 -1.60 119.26 118.48 1d2h h ALA 161 Ca 0.19 0.05 0.31 0.00 0.00 0.00 0.00 54.91 55.46 1d2h h ALA 161 Cb 0.03 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1d2h h ALA 161 CO -0.10 -0.48 1.00 1.03 0.00 0.00 0.00 179.25 180.71 1d2h h SER 162 N 0.01 0.00 0.00 0.00 0.87 -1.40 1.01 113.55 114.04 1d2h h SER 162 Ca 0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1d2h h SER 162 Cb 0.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1d2h h SER 162 CO -0.12 0.00 0.00 0.23 -0.53 0.00 0.00 176.83 176.41 1d2h n MET 163 N -3.65 0.77 -3.73 2.24 2.81 -0.60 -4.62 117.12 110.33 1d2h n MET 163 Ca 0.24 0.00 -0.38 0.00 -1.81 0.00 0.00 57.70 55.75 1d2h n MET 163 Cb 1.35 -1.37 -0.12 0.00 -0.71 0.00 0.00 33.22 32.37 1d2h n MET 163 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1d2h s VAL 164 N -2.00 3.92 0.31 2.03 1.01 0.35 -1.63 120.40 124.39 1d2h s VAL 164 Ca 0.27 -1.02 -0.29 0.00 0.00 0.00 0.00 61.98 60.94 1d2h s VAL 164 Cb 0.12 -3.18 -0.11 0.00 0.00 0.00 0.00 36.38 33.22 1d2h s VAL 164 CO 0.21 -0.14 1.45 0.00 0.00 0.00 0.00 175.10 176.62 1d2h s ARG 165 N 1.44 4.21 -0.10 2.72 1.70 -0.61 -4.77 118.95 123.54 1d2h s ARG 165 Ca -0.00 2.41 -0.37 0.00 -0.47 0.00 0.00 55.73 57.30 1d2h s ARG 165 Cb -0.19 -3.04 -0.18 0.00 -0.57 0.00 0.00 34.95 30.97 1d2h s ARG 165 CO 0.03 -0.44 1.06 -2.30 -1.08 0.00 0.00 175.30 172.58 1d2h n PRO 166 N 1.41 0.00 -2.17 3.89 -0.02 -1.26 -0.92 135.00 135.92 1d2h n PRO 166 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1d2h n PRO 166 Cb 0.40 -1.34 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 1d2h n PRO 166 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1d2h n GLY 167 N 1.84 0.94 3.07 -1.23 0.00 0.12 -4.96 105.19 104.97 1d2h n GLY 167 Ca 0.20 -0.61 -0.21 0.00 0.00 0.00 0.00 46.02 45.40 1d2h n GLY 167 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1d2h s GLY 168 N -2.88 0.59 0.69 -0.02 0.00 -0.10 -4.89 107.32 100.71 1d2h s GLY 168 Ca 0.00 -0.52 -0.11 0.00 0.00 0.00 0.00 44.72 44.09 1d2h s GLY 168 CO 0.00 -0.42 1.08 1.08 0.00 0.00 0.00 173.10 174.84 1d2h s LEU 169 N -0.27 2.97 -0.10 0.66 1.02 -0.94 -1.00 118.68 121.03 1d2h s LEU 169 Ca 0.04 1.17 -0.19 0.00 0.02 0.00 0.00 54.13 55.18 1d2h s LEU 169 Cb -0.05 -4.01 0.04 0.00 0.02 0.00 0.00 46.19 42.19 1d2h s LEU 169 CO -0.00 -1.25 0.46 -0.22 0.02 0.00 0.00 176.35 175.36 1d2h s LEU 170 N -5.32 0.24 -0.47 1.79 2.96 -0.64 -1.52 118.68 115.72 1d2h s LEU 170 Ca 0.57 0.61 0.06 0.00 -0.22 0.00 0.00 54.13 55.15 1d2h s LEU 170 Cb -0.11 1.70 0.21 0.00 0.50 0.00 0.00 46.19 48.49 1d2h s LEU 170 CO 0.52 -0.35 0.49 0.52 -1.32 0.00 0.00 176.35 176.20 1d2h n VAL 171 N 1.89 -0.18 -1.96 1.68 0.31 -0.64 -1.50 118.33 117.94 1d2h n VAL 171 Ca -0.17 -4.08 -0.30 0.00 -0.01 0.00 0.00 64.34 59.78 1d2h n VAL 171 Cb 0.56 -1.90 0.04 0.00 -0.91 0.00 0.00 33.84 31.64 1d2h n VAL 171 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 1d2h s ILE 172 N -0.96 3.67 0.00 2.52 2.07 -1.00 -1.09 121.20 126.41 1d2h s ILE 172 Ca 0.34 0.47 -0.24 0.00 -1.41 0.00 0.00 60.65 59.80 1d2h s ILE 172 Cb 0.10 -3.53 0.05 0.00 0.13 0.00 0.00 42.46 39.21 1d2h s ILE 172 CO -0.14 -0.67 0.54 1.51 -1.91 0.00 0.00 174.94 174.27 1d2h s ASP 173 N -4.33 -0.48 -0.04 4.50 3.84 -0.95 -1.62 116.67 117.60 1d2h s ASP 173 Ca 0.57 0.36 -0.11 0.00 -0.00 0.00 0.00 52.55 53.37 1d2h s ASP 173 Cb -0.11 0.48 0.02 0.00 -1.38 0.00 0.00 42.92 41.93 1d2h s ASP 173 CO 0.51 -0.63 0.26 -1.38 -0.00 0.00 0.00 175.17 173.92 1d2h s HIS 174 N -1.80 -0.16 0.37 2.11 -3.43 -0.88 -3.74 115.29 107.76 1d2h s HIS 174 Ca -0.09 0.30 -0.28 0.00 -0.80 0.00 0.00 55.06 54.19 1d2h s HIS 174 Cb -0.01 0.06 -0.10 0.00 -1.43 0.00 0.00 32.58 31.10 1d2h s HIS 174 CO 0.04 -0.29 1.37 0.21 -2.00 0.00 0.00 174.74 174.06 1d2h s LYS 175 N -0.92 4.17 -0.99 -0.38 2.20 -1.26 -1.29 119.74 121.27 1d2h s LYS 175 Ca -0.10 2.33 -0.26 0.00 -0.36 0.00 0.00 55.97 57.59 1d2h s LYS 175 Cb -0.05 -2.96 -0.17 0.00 -1.51 0.00 0.00 37.83 33.14 1d2h s LYS 175 CO 0.02 -0.39 2.18 1.21 -0.36 0.00 0.00 175.35 178.01 1d2h s ASN 176 N -0.42 3.88 0.47 1.43 3.04 -0.39 -4.70 114.94 118.24 1d2h s ASN 176 Ca 0.52 -0.71 0.26 0.00 0.04 0.00 0.00 52.86 52.97 1d2h s ASN 176 Cb -0.42 -2.58 0.63 0.00 -1.54 0.00 0.00 41.25 37.34 1d2h s ASN 176 CO 0.56 -4.15 1.71 1.88 -3.04 0.00 0.00 177.10 174.06 1d2h h TYR 177 N 11.72 0.00 0.33 0.43 0.05 -1.88 -1.77 116.97 125.85 1d2h h TYR 177 Ca 0.04 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.81 1d2h h TYR 177 Cb 0.99 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.72 1d2h h TYR 177 CO 1.10 0.02 -0.28 -0.44 -1.05 0.00 0.00 178.16 177.51 1d2h h ASP 178 N 0.00 -0.74 -0.20 3.88 3.32 -1.84 0.38 116.42 121.22 1d2h h ASP 178 Ca -0.00 0.06 -0.16 0.00 0.02 0.00 0.00 57.03 56.95 1d2h h ASP 178 Cb 0.87 0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.66 1d2h h ASP 178 CO 0.00 -0.42 -0.48 0.22 -1.72 0.00 0.00 179.24 176.85 1d2h h TYR 179 N -0.63 0.94 -0.69 4.55 5.03 -1.94 -3.17 116.97 121.07 1d2h h TYR 179 Ca -0.02 -0.31 -0.02 0.00 2.58 0.00 0.00 58.73 60.96 1d2h h TYR 179 Cb 0.55 -0.19 -0.03 0.00 1.55 0.00 0.00 36.73 38.61 1d2h h TYR 179 CO -0.15 1.09 0.35 0.82 -1.32 0.00 0.00 178.16 178.95 1d2h h ILE 180 N 0.61 1.22 0.00 1.81 2.04 -0.99 -1.81 117.51 120.37 1d2h h ILE 180 Ca 0.03 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.32 1d2h h ILE 180 Cb 1.05 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1d2h h ILE 180 CO 0.10 0.25 0.00 0.18 0.00 0.00 0.00 178.15 178.68 1d2h n LEU 181 N -4.35 0.00 -0.07 1.44 4.32 0.13 -0.13 117.00 118.34 1d2h n LEU 181 Ca 0.07 0.37 -0.06 0.00 -0.02 0.00 0.00 56.01 56.37 1d2h n LEU 181 Cb 0.12 -0.37 -0.15 0.00 -1.62 0.00 0.00 43.42 41.39 1d2h n LEU 181 CO 0.38 -0.14 -0.97 -1.54 -1.22 0.00 0.00 177.39 173.90 1d2h n SER 182 N -1.37 0.14 -0.45 -1.43 3.41 -0.72 -4.15 113.62 109.05 1d2h n SER 182 Ca 0.07 0.06 0.11 0.00 -0.26 0.00 0.00 58.87 58.86 1d2h n SER 182 Cb 0.18 1.02 0.05 0.00 -0.26 0.00 0.00 64.21 65.20 1d2h n SER 182 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1d2h n THR 183 N -2.70 0.00 -1.84 6.66 5.66 -0.96 -4.96 114.28 116.15 1d2h n THR 183 Ca -0.25 -0.24 -0.03 0.00 -3.05 0.00 0.00 64.05 60.48 1d2h n THR 183 Cb 1.03 1.12 -0.01 0.00 -1.55 0.00 0.00 70.33 70.92 1d2h n THR 183 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1d2h n GLY 184 N 1.41 -0.12 3.28 1.09 0.00 0.81 -4.86 105.19 106.80 1d2h n GLY 184 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 1d2h n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d2h s ALA 186 N -0.18 3.42 -0.41 0.00 0.00 -1.26 -4.87 121.76 118.47 1d2h s ALA 186 Ca -0.03 -1.30 -0.28 0.00 0.00 0.00 0.00 51.96 50.34 1d2h s ALA 186 Cb -0.03 -3.08 -0.01 0.00 0.00 0.00 0.00 23.12 19.99 1d2h s ALA 186 CO 0.02 -1.51 1.69 -2.14 0.00 0.00 0.00 175.76 173.82 1d2h s PRO 187 N 2.35 3.27 0.42 0.00 0.02 -1.26 -4.95 135.00 134.86 1d2h s PRO 187 Ca 0.16 1.12 -0.02 0.00 0.02 0.00 0.00 61.00 62.28 1d2h s PRO 187 Cb -0.16 -4.18 0.09 0.00 0.02 0.00 0.00 34.50 30.26 1d2h s PRO 187 CO 0.15 -1.94 0.58 -0.35 -0.33 0.00 0.00 177.00 175.11 1d2h n PRO 188 N 8.48 0.07 0.00 5.54 -0.04 -1.26 -4.75 135.00 143.04 1d2h n PRO 188 Ca 0.20 -1.44 0.00 0.00 -0.04 0.00 0.00 63.50 62.22 1d2h n PRO 188 Cb 0.48 -0.43 0.00 0.00 -0.04 0.00 0.00 33.50 33.51 1d2h n PRO 188 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1d2h n GLY 189 N 0.68 1.89 3.82 0.55 0.00 -1.26 -4.99 105.19 105.88 1d2h n GLY 189 Ca 0.09 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 1d2h n GLY 189 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1d2h s LYS 190 N 0.00 3.77 -0.29 1.61 2.47 -1.26 -4.87 119.74 121.17 1d2h s LYS 190 Ca 0.00 -0.07 -0.01 0.00 -1.56 0.00 0.00 55.97 54.33 1d2h s LYS 190 Cb 0.00 -3.28 0.13 0.00 -1.46 0.00 0.00 37.83 33.22 1d2h s LYS 190 CO 0.00 0.59 0.27 1.21 0.16 0.00 0.00 175.35 177.58 1d2h s ASN 191 N -0.52 1.98 0.63 1.43 2.47 -1.26 -5.02 114.94 114.66 1d2h s ASN 191 Ca 0.14 -0.84 0.11 0.00 0.42 0.00 0.00 52.86 52.70 1d2h s ASN 191 Cb -0.12 0.36 0.39 0.00 -1.45 0.00 0.00 41.25 40.43 1d2h s ASN 191 CO 0.03 -0.40 1.12 2.30 -3.72 0.00 0.00 177.10 176.43 1d2h n ILE 192 N 5.30 0.00 -0.10 -5.21 -5.35 -1.26 -0.23 119.36 112.51 1d2h n ILE 192 Ca -0.03 1.10 0.11 0.00 -0.27 0.00 0.00 62.75 63.67 1d2h n ILE 192 Cb 0.46 -2.09 0.48 0.00 -1.74 0.00 0.00 39.64 36.74 1d2h n ILE 192 CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 1d2h h TYR 193 N 0.00 0.49 -1.43 4.28 0.99 -1.95 -3.22 116.97 116.13 1d2h h TYR 193 Ca 0.21 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.96 1d2h h TYR 193 Cb 2.38 -0.16 0.00 0.00 1.00 0.00 0.00 36.73 39.95 1d2h h TYR 193 CO 0.00 0.24 0.00 0.66 -0.00 0.00 0.00 178.16 179.06 1d2h n TYR 194 N -4.48 -0.45 -3.47 4.88 4.01 0.68 -4.11 117.16 114.23 1d2h n TYR 194 Ca 0.10 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.57 1d2h n TYR 194 Cb 0.36 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.27 1d2h n TYR 194 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1d2h s LYS 195 N -1.90 0.46 0.00 -0.72 2.47 -1.26 -2.77 119.74 116.01 1d2h s LYS 195 Ca 0.00 -1.04 0.00 0.00 -1.56 0.00 0.00 55.97 53.37 1d2h s LYS 195 Cb 0.00 -1.18 0.00 0.00 -1.46 0.00 0.00 37.83 35.19 1d2h s LYS 195 CO 0.00 -1.16 0.00 -1.13 0.16 0.00 0.00 175.35 173.22 1d2h n SER 196 N 4.41 -0.29 -2.71 1.43 3.41 -1.26 -4.90 113.62 113.71 1d2h n SER 196 Ca 0.07 -0.30 -0.06 0.00 -0.26 0.00 0.00 58.87 58.31 1d2h n SER 196 Cb 0.39 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.40 1d2h n SER 196 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1d2h n ASP 197 N -1.34 0.80 -3.90 4.04 9.92 -1.26 -5.06 116.55 119.75 1d2h n ASP 197 Ca 0.00 -2.49 -0.29 0.00 -0.53 0.00 0.00 54.79 51.48 1d2h n ASP 197 Cb 0.00 -0.22 -0.16 0.00 -0.64 0.00 0.00 41.12 40.10 1d2h n ASP 197 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1d2h s LEU 198 N -3.35 2.09 -0.11 0.64 2.01 -1.26 -5.01 118.68 113.69 1d2h s LEU 198 Ca 0.25 -0.97 -0.30 0.00 0.01 0.00 0.00 54.13 53.13 1d2h s LEU 198 Cb 0.42 -1.03 -0.02 0.00 0.01 0.00 0.00 46.19 45.57 1d2h s LEU 198 CO -0.01 -0.23 1.15 -0.89 1.01 0.00 0.00 176.35 177.39 1d2h s THR 199 N 1.53 4.43 0.25 5.49 2.01 -1.26 -4.91 115.64 123.17 1d2h s THR 199 Ca -0.03 1.73 0.12 0.00 0.31 0.00 0.00 61.69 63.81 1d2h s THR 199 Cb -0.17 -4.11 -0.05 0.00 0.01 0.00 0.00 72.50 68.18 1d2h s THR 199 CO -0.07 -0.05 -0.21 -0.54 -0.69 0.00 0.00 174.62 173.07 1d2h s LYS 200 N 2.52 1.64 -0.10 4.92 1.02 -1.26 -1.31 119.74 127.17 1d2h s LYS 200 Ca 0.53 -1.66 0.04 0.00 0.02 0.00 0.00 55.97 54.90 1d2h s LYS 200 Cb -0.22 -1.82 0.00 0.00 -0.52 0.00 0.00 37.83 35.28 1d2h s LYS 200 CO 0.18 0.36 -0.24 0.34 -0.92 0.00 0.00 175.35 175.07 1d2h s ASP 201 N -3.19 3.03 0.11 2.83 3.68 -0.75 -4.88 116.67 117.50 1d2h s ASP 201 Ca 0.26 -0.55 0.08 0.00 2.13 0.00 0.00 52.55 54.47 1d2h s ASP 201 Cb -0.06 -1.38 -0.04 0.00 -1.45 0.00 0.00 42.92 39.99 1d2h s ASP 201 CO 0.13 0.16 -0.19 -0.63 0.13 0.00 0.00 175.17 174.77 1d2h s ILE 202 N 0.35 1.59 -0.32 4.11 1.01 -1.26 -1.26 121.20 125.42 1d2h s ILE 202 Ca -0.19 -1.57 0.00 0.00 0.00 0.00 0.00 60.65 58.89 1d2h s ILE 202 Cb -0.18 -1.51 0.10 0.00 0.01 0.00 0.00 42.46 40.88 1d2h s ILE 202 CO 0.09 -0.16 0.09 -0.89 0.00 0.00 0.00 174.94 174.07 1d2h s THR 203 N -1.40 1.19 -0.50 2.92 2.01 -0.43 -4.94 115.64 114.50 1d2h s THR 203 Ca 0.07 -1.64 -0.27 0.00 0.31 0.00 0.00 61.69 60.16 1d2h s THR 203 Cb -0.09 -1.90 0.03 0.00 0.01 0.00 0.00 72.50 70.55 1d2h s THR 203 CO 0.04 -0.67 1.04 -0.89 -0.69 0.00 0.00 174.62 173.45 1d2h s THR 204 N 1.42 4.30 -0.37 -0.82 2.01 -1.26 -2.02 115.64 118.90 1d2h s THR 204 Ca 0.10 0.88 -0.04 0.00 0.31 0.00 0.00 61.69 62.94 1d2h s THR 204 Cb -0.18 -4.55 0.08 0.00 0.01 0.00 0.00 72.50 67.87 1d2h s THR 204 CO -0.21 -1.01 0.15 -0.44 -0.69 0.00 0.00 174.62 172.42 1d2h s SER 205 N 2.50 5.21 0.45 3.53 0.01 -0.66 -4.83 113.70 119.92 1d2h s SER 205 Ca 0.41 -1.69 -0.05 0.00 1.31 0.00 0.00 55.95 55.92 1d2h s SER 205 Cb -0.09 -1.82 -0.04 0.00 0.21 0.00 0.00 66.02 64.28 1d2h s SER 205 CO 0.27 -0.45 0.76 -0.69 0.41 0.00 0.00 173.24 173.54 1d2h s VAL 206 N 1.23 4.92 0.03 3.43 1.01 -1.26 -1.21 120.40 128.54 1d2h s VAL 206 Ca 0.03 0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.24 1d2h s VAL 206 Cb -0.22 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 1d2h s VAL 206 CO -0.02 -0.77 -0.13 -0.22 0.00 0.00 0.00 175.10 173.95 1d2h s LEU 207 N -4.57 2.13 -0.22 3.92 2.96 -0.70 -4.94 118.68 117.26 1d2h s LEU 207 Ca 0.47 -0.39 -0.02 0.00 -0.22 0.00 0.00 54.13 53.96 1d2h s LEU 207 Cb -0.10 -0.59 0.07 0.00 0.50 0.00 0.00 46.19 46.06 1d2h s LEU 207 CO 0.42 0.06 0.04 -0.89 -1.32 0.00 0.00 176.35 174.65 1d2h s THR 208 N -0.71 0.68 -0.37 3.68 2.01 -1.26 -1.44 115.64 118.23 1d2h s THR 208 Ca 0.02 -0.77 -0.16 0.00 0.31 0.00 0.00 61.69 61.09 1d2h s THR 208 Cb -0.07 -1.22 0.00 0.00 0.01 0.00 0.00 72.50 71.23 1d2h s THR 208 CO 0.01 -0.28 0.40 0.54 -0.69 0.00 0.00 174.62 174.61 1d2h s VAL 209 N 1.77 5.12 -1.55 3.82 0.11 -0.55 -4.32 120.40 124.81 1d2h s VAL 209 Ca 0.00 -0.09 -0.14 0.00 -2.93 0.00 0.00 61.98 58.83 1d2h s VAL 209 Cb -0.17 -3.92 0.09 0.00 -1.53 0.00 0.00 36.38 30.85 1d2h s VAL 209 CO -0.11 -0.23 0.93 0.59 -3.33 0.00 0.00 175.10 172.95 1d2h n ASN 210 N 5.50 -4.31 0.00 3.54 3.02 -1.26 -1.22 115.26 120.53 1d2h n ASN 210 Ca -0.08 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 1d2h n ASN 210 Cb 0.49 -3.70 0.00 0.00 -0.61 0.00 0.00 39.78 35.96 1d2h n ASN 210 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1d2h n ASN 211 N -2.82 0.00 -4.56 6.41 2.85 -1.26 -5.03 115.26 110.85 1d2h n ASN 211 Ca 0.02 0.00 -0.39 0.00 -0.11 0.00 0.00 54.58 54.10 1d2h n ASN 211 Cb 0.53 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 41.44 1d2h n ASN 211 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1d2h s LYS 212 N -0.21 3.72 -0.60 1.20 2.20 -0.36 -5.00 119.74 120.70 1d2h s LYS 212 Ca 0.00 -0.48 -0.28 0.00 -0.36 0.00 0.00 55.97 54.84 1d2h s LYS 212 Cb 0.00 -3.73 -0.11 0.00 -1.51 0.00 0.00 37.83 32.47 1d2h s LYS 212 CO 0.00 -0.31 2.46 0.00 -0.36 0.00 0.00 175.35 177.14 1d2h n ALA 213 N 5.08 0.73 -0.06 3.13 0.00 -1.26 -1.48 120.51 126.66 1d2h n ALA 213 Ca -0.13 -0.65 -0.02 0.00 0.00 0.00 0.00 53.44 52.64 1d2h n ALA 213 Cb 0.51 -2.88 -0.01 0.00 0.00 0.00 0.00 19.45 17.07 1d2h n ALA 213 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1d2h h HIS 214 N 16.68 0.00 -1.74 0.00 2.76 -1.58 -3.42 115.15 127.85 1d2h h HIS 214 Ca -0.20 0.00 -0.59 0.00 -2.20 0.00 0.00 60.37 57.37 1d2h h HIS 214 Cb 1.28 0.00 -0.13 0.00 1.55 0.00 0.00 27.41 30.11 1d2h h HIS 214 CO 0.99 0.00 -0.55 1.41 -1.30 0.00 0.00 177.93 178.48 1d2h s MET 215 N -1.82 1.96 -0.37 5.26 1.75 -1.24 -4.32 119.30 120.52 1d2h s MET 215 Ca -0.06 -2.18 0.06 0.00 -1.25 0.00 0.00 55.69 52.26 1d2h s MET 215 Cb 0.01 -1.19 0.18 0.00 2.84 0.00 0.00 34.83 36.67 1d2h s MET 215 CO 0.09 -0.28 0.55 0.08 -0.65 0.00 0.00 175.02 174.81 1d2h s VAL 216 N -3.01 -0.83 -0.46 10.11 1.01 -0.69 -1.72 120.40 124.80 1d2h s VAL 216 Ca 0.23 -0.23 -0.24 0.00 0.00 0.00 0.00 61.98 61.75 1d2h s VAL 216 Cb 0.05 -0.40 0.03 0.00 0.00 0.00 0.00 36.38 36.06 1d2h s VAL 216 CO 0.12 -0.14 0.83 -0.89 0.00 0.00 0.00 175.10 175.01 1d2h s THR 217 N 2.00 4.59 -0.15 3.92 2.01 -0.35 -1.65 115.64 126.02 1d2h s THR 217 Ca 0.15 0.48 -0.14 0.00 0.31 0.00 0.00 61.69 62.49 1d2h s THR 217 Cb -0.08 -4.36 -0.05 0.00 0.01 0.00 0.00 72.50 68.02 1d2h s THR 217 CO -0.12 -0.78 0.30 -0.76 -0.69 0.00 0.00 174.62 172.58 1d2h s LEU 218 N 3.44 4.26 -0.30 4.42 1.02 -0.26 -1.65 118.68 129.61 1d2h s LEU 218 Ca 0.31 0.55 -0.06 0.00 0.02 0.00 0.00 54.13 54.95 1d2h s LEU 218 Cb -0.12 -2.39 0.01 0.00 0.02 0.00 0.00 46.19 43.72 1d2h s LEU 218 CO 0.23 0.12 0.07 -1.81 0.02 0.00 0.00 176.35 174.99 1d2h s ASP 219 N 0.32 5.08 0.23 2.29 1.01 -0.86 -1.86 116.67 122.89 1d2h s ASP 219 Ca 0.17 -0.76 0.03 0.00 0.71 0.00 0.00 52.55 52.71 1d2h s ASP 219 Cb -0.13 -1.86 -0.03 0.00 1.01 0.00 0.00 42.92 41.90 1d2h s ASP 219 CO 0.05 -0.20 0.37 -0.31 0.21 0.00 0.00 175.17 175.29 1d2h s TYR 220 N 1.48 3.47 -0.33 4.23 1.51 -0.57 -1.31 117.35 125.82 1d2h s TYR 220 Ca 0.02 0.09 0.01 0.00 -1.01 0.00 0.00 57.07 56.18 1d2h s TYR 220 Cb -0.17 -1.66 0.14 0.00 -0.11 0.00 0.00 41.96 40.16 1d2h s TYR 220 CO 0.02 0.40 0.30 0.99 -1.11 0.00 0.00 175.55 176.15 1d2h s THR 221 N -1.97 -0.29 0.00 -0.71 2.01 -0.39 -1.56 115.64 112.74 1d2h s THR 221 Ca 0.35 -0.82 -0.24 0.00 0.31 0.00 0.00 61.69 61.28 1d2h s THR 221 Cb -0.10 -0.89 -0.05 0.00 0.01 0.00 0.00 72.50 71.48 1d2h s THR 221 CO 0.30 -0.59 0.74 -0.69 -0.69 0.00 0.00 174.62 173.69 1d2h s VAL 222 N 1.87 4.85 -0.10 3.82 1.01 -0.65 -1.82 120.40 129.39 1d2h s VAL 222 Ca 0.13 1.57 -0.28 0.00 0.00 0.00 0.00 61.98 63.40 1d2h s VAL 222 Cb -0.16 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 1d2h s VAL 222 CO -0.19 0.32 0.93 -1.58 0.00 0.00 0.00 175.10 174.58 1d2h s GLN 223 N 0.26 4.42 -0.40 2.72 -0.44 -0.43 -1.97 119.66 123.82 1d2h s GLN 223 Ca 0.38 1.26 -0.19 0.00 -2.50 0.00 0.00 55.36 54.31 1d2h s GLN 223 Cb -0.19 -3.53 0.01 0.00 -1.64 0.00 0.00 33.01 27.66 1d2h s GLN 223 CO 0.21 -0.24 0.55 0.54 0.50 0.00 0.00 175.29 176.85 1d2h s VAL 224 N 1.76 4.96 0.55 1.34 0.11 -0.43 -4.54 120.40 124.16 1d2h s VAL 224 Ca 0.46 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.63 1d2h s VAL 224 Cb -0.18 -4.07 0.00 0.00 -1.53 0.00 0.00 36.38 30.60 1d2h s VAL 224 CO 0.18 -0.40 0.93 -0.65 -3.33 0.00 0.00 175.10 171.83 1d2h h PRO 225 N 8.67 0.00 -1.78 1.54 0.11 -1.95 -0.64 132.00 137.94 1d2h h PRO 225 Ca -0.27 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.62 1d2h h PRO 225 Cb 1.11 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 31.93 1d2h h PRO 225 CO 0.82 0.00 -0.56 0.20 -0.21 0.00 0.00 178.00 178.25 1d2h s GLY 226 N -2.84 -0.49 0.00 -0.55 0.00 -1.26 -4.58 107.32 97.61 1d2h s GLY 226 Ca -0.00 0.06 0.00 0.00 0.00 0.00 0.00 44.72 44.78 1d2h s GLY 226 CO 0.00 2.98 0.00 0.00 0.00 0.00 0.00 173.10 176.08 1d2h n ALA 227 N 5.28 0.00 -1.00 3.20 0.00 -0.88 -4.52 120.51 122.59 1d2h n ALA 227 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1d2h n ALA 227 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1d2h n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1d2h n GLY 228 N 0.00 -0.40 0.49 0.00 0.00 0.41 -4.27 105.19 101.42 1d2h n GLY 228 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1d2h n GLY 228 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1d2h n ARG 229 N 0.00 0.00 -2.10 1.61 0.63 -1.26 -4.79 116.66 110.75 1d2h n ARG 229 Ca 0.00 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.52 1d2h n ARG 229 Cb 0.00 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 32.91 1d2h n ARG 229 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1d2h n ASP 230 N -1.54 6.81 0.00 6.15 10.43 -1.26 -4.44 116.55 132.70 1d2h n ASP 230 Ca 0.00 -3.10 0.00 0.00 2.57 0.00 0.00 54.79 54.26 1d2h n ASP 230 Cb 0.00 -1.42 0.00 0.00 1.84 0.00 0.00 41.12 41.54 1d2h n ASP 230 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1d2h n GLY 231 N 2.27 2.90 2.59 0.44 0.00 -1.26 -5.01 105.19 107.11 1d2h n GLY 231 Ca 0.54 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.24 1d2h n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d2h n ALA 232 N -0.20 -3.87 -2.10 4.61 0.00 -1.26 -4.54 120.51 113.14 1d2h n ALA 232 Ca 0.00 -0.30 -0.19 0.00 0.00 0.00 0.00 53.44 52.95 1d2h n ALA 232 Cb 0.00 -1.06 0.01 0.00 0.00 0.00 0.00 19.45 18.40 1d2h n ALA 232 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1d2h s PRO 233 N -1.23 2.58 0.59 0.00 0.04 -1.26 0.16 135.00 135.87 1d2h s PRO 233 Ca 0.40 -1.48 0.09 0.00 0.04 0.00 0.00 61.00 60.05 1d2h s PRO 233 Cb -0.28 -2.58 0.09 0.00 0.04 0.00 0.00 34.50 31.76 1d2h s PRO 233 CO 0.62 -0.42 0.72 0.41 0.04 0.00 0.00 177.00 178.36 1d2h n GLY 234 N -1.86 2.18 2.64 0.56 0.00 -0.25 -1.57 105.19 106.89 1d2h n GLY 234 Ca 0.08 -2.25 -0.16 0.00 0.00 0.00 0.00 46.02 43.69 1d2h n GLY 234 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1d2h s PHE 235 N -2.74 -0.25 -0.18 1.61 0.40 -1.26 -1.32 117.98 114.24 1d2h s PHE 235 Ca 0.54 -1.27 -0.08 0.00 -0.60 0.00 0.00 56.93 55.53 1d2h s PHE 235 Cb -0.04 -0.34 -0.04 0.00 0.51 0.00 0.00 43.02 43.10 1d2h s PHE 235 CO 0.34 -1.02 0.08 -1.12 0.70 0.00 0.00 175.22 174.20 1d2h s SER 236 N 0.75 5.76 0.55 1.36 0.01 -0.83 -4.88 113.70 116.43 1d2h s SER 236 Ca 0.27 0.14 0.04 0.00 1.31 0.00 0.00 55.95 57.70 1d2h s SER 236 Cb -0.03 -1.97 0.03 0.00 0.21 0.00 0.00 66.02 64.26 1d2h s SER 236 CO -0.10 0.20 0.28 -0.75 0.41 0.00 0.00 173.24 173.29 1d2h s LYS 237 N 0.22 2.23 0.16 12.44 2.20 -1.26 -1.63 119.74 134.10 1d2h s LYS 237 Ca 0.05 -2.20 -0.12 0.00 -0.36 0.00 0.00 55.97 53.34 1d2h s LYS 237 Cb -0.12 -1.90 0.04 0.00 -1.51 0.00 0.00 37.83 34.35 1d2h s LYS 237 CO 0.00 -0.60 0.60 1.97 -0.36 0.00 0.00 175.35 176.96 1d2h n PHE 238 N -1.65 -1.31 -3.68 4.03 -1.74 -0.60 -4.96 117.46 107.55 1d2h n PHE 238 Ca -0.08 -0.91 -0.11 0.00 -0.56 0.00 0.00 57.45 55.78 1d2h n PHE 238 Cb 0.65 0.45 -0.12 0.00 1.52 0.00 0.00 39.48 41.99 1d2h n PHE 238 CO 0.00 0.00 0.00 0.50 -0.56 0.00 0.00 176.76 176.70 1d2h s ARG 239 N -2.04 0.26 -0.03 3.97 3.52 -1.26 -1.51 118.95 121.86 1d2h s ARG 239 Ca 0.13 0.80 0.07 0.00 -0.13 0.00 0.00 55.73 56.60 1d2h s ARG 239 Cb -0.02 0.05 -0.02 0.00 -1.56 0.00 0.00 34.95 33.41 1d2h s ARG 239 CO 0.05 -0.22 -0.24 -0.51 -0.81 0.00 0.00 175.30 173.56 1d2h s LEU 240 N 2.02 2.04 0.10 -0.88 1.43 -0.77 -4.99 118.68 117.63 1d2h s LEU 240 Ca -0.04 -0.44 0.06 0.00 -1.03 0.00 0.00 54.13 52.67 1d2h s LEU 240 Cb -0.11 -1.25 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 1d2h s LEU 240 CO -0.11 0.28 -0.05 -0.44 0.23 0.00 0.00 176.35 176.26 1d2h s SER 241 N -0.46 4.71 0.32 2.29 0.01 -1.26 -1.10 113.70 118.21 1d2h s SER 241 Ca 0.06 -0.28 0.03 0.00 1.31 0.00 0.00 55.95 57.07 1d2h s SER 241 Cb -0.10 -1.02 -0.04 0.00 0.21 0.00 0.00 66.02 65.07 1d2h s SER 241 CO 0.00 0.17 0.15 -0.31 0.41 0.00 0.00 173.24 173.66 1d2h s TYR 242 N -1.27 1.66 -0.27 2.43 2.02 -0.66 -4.52 117.35 116.74 1d2h s TYR 242 Ca 0.24 -1.33 -0.04 0.00 -0.37 0.00 0.00 57.07 55.57 1d2h s TYR 242 Cb -0.11 -0.93 0.02 0.00 -0.40 0.00 0.00 41.96 40.53 1d2h s TYR 242 CO 0.16 -0.45 0.00 -0.47 -1.57 0.00 0.00 175.55 173.22 1d2h s TYR 243 N -3.52 3.10 -0.88 2.71 5.04 -0.83 -1.71 117.35 121.26 1d2h s TYR 243 Ca 0.34 -1.25 -0.25 0.00 -2.44 0.00 0.00 57.07 53.48 1d2h s TYR 243 Cb 0.05 -2.15 -0.18 0.00 0.35 0.00 0.00 41.96 40.03 1d2h s TYR 243 CO 0.17 -0.64 2.27 -0.35 -1.34 0.00 0.00 175.55 175.66 1d2h n PRO 244 N 4.77 0.36 -2.74 4.97 -0.04 -1.26 -4.86 135.00 136.20 1d2h n PRO 244 Ca -0.16 -1.09 -0.43 0.00 -0.04 0.00 0.00 63.50 61.79 1d2h n PRO 244 Cb 0.48 -3.61 -0.03 0.00 -0.04 0.00 0.00 33.50 30.30 1d2h n PRO 244 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1d2h s HIS 245 N 14.79 2.79 0.23 0.54 3.76 -1.26 -4.99 115.29 131.16 1d2h s HIS 245 Ca 0.89 0.33 -0.30 0.00 -0.15 0.00 0.00 55.06 55.82 1d2h s HIS 245 Cb -0.13 -4.20 -0.09 0.00 1.11 0.00 0.00 32.58 29.27 1d2h s HIS 245 CO 0.14 -1.32 1.05 0.00 -0.85 0.00 0.00 174.74 173.76 1d2h n LEU 247 N 1.65 -0.37 0.00 0.00 7.94 -1.26 -2.04 117.00 122.92 1d2h n LEU 247 Ca -0.00 1.70 0.00 0.00 -1.11 0.00 0.00 56.01 56.60 1d2h n LEU 247 Cb 0.46 -0.51 0.00 0.00 0.53 0.00 0.00 43.42 43.90 1d2h n LEU 247 CO 0.53 -1.63 0.29 0.00 -1.11 0.00 0.00 177.39 175.47 1d2h n ALA 248 N -3.63 -0.01 -0.33 1.96 0.00 -1.26 -1.95 120.51 115.29 1d2h n ALA 248 Ca 0.16 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.75 1d2h n ALA 248 Cb 0.49 0.25 0.31 0.00 0.00 0.00 0.00 19.45 20.50 1d2h n ALA 248 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1d2h h SER 249 N 0.00 -0.29 0.01 0.00 0.87 -1.80 -2.62 113.55 109.72 1d2h h SER 249 Ca 0.00 0.26 -0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1d2h h SER 249 Cb 0.00 0.41 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1d2h h SER 249 CO 0.00 -0.31 -0.00 0.15 -0.53 0.00 0.00 176.83 176.13 1d2h h PHE 250 N 0.05 -0.01 -0.87 2.24 3.57 -1.21 -0.09 116.94 120.63 1d2h h PHE 250 Ca 0.60 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 62.27 1d2h h PHE 250 Cb 1.28 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.92 1d2h h PHE 250 CO -0.40 0.26 0.44 1.15 -2.23 0.00 0.00 178.31 177.54 1d2h h THR 251 N -0.27 0.68 -0.29 4.41 2.02 -1.00 1.07 112.91 119.52 1d2h h THR 251 Ca -0.00 -0.20 -0.19 0.00 0.77 0.00 0.00 66.41 66.79 1d2h h THR 251 Cb 0.27 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 1d2h h THR 251 CO 0.00 0.11 -0.55 -0.08 0.37 0.00 0.00 175.52 175.37 1d2h h GLU 252 N 0.59 0.88 0.18 6.66 4.22 -1.48 -2.37 114.58 123.26 1d2h h GLU 252 Ca 0.49 -0.56 -0.01 0.00 0.08 0.00 0.00 59.36 59.36 1d2h h GLU 252 Cb 0.75 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1d2h h GLU 252 CO -0.40 1.19 -0.09 -0.07 -2.18 0.00 0.00 179.01 177.47 1d2h h LEU 253 N 0.68 -0.21 0.46 1.64 -0.00 0.12 -2.02 115.31 115.97 1d2h h LEU 253 Ca 0.02 -0.10 -0.01 0.00 -0.00 0.00 0.00 57.88 57.78 1d2h h LEU 253 Cb 1.16 0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 41.85 1d2h h LEU 253 CO 0.12 -0.02 -0.38 1.62 -0.00 0.00 0.00 178.44 179.78 1d2h h VAL 254 N -0.39 0.23 -0.77 1.22 3.04 0.10 -2.67 116.25 117.01 1d2h h VAL 254 Ca -0.03 0.00 0.09 0.00 -1.01 0.00 0.00 66.70 65.76 1d2h h VAL 254 Cb 0.30 0.23 -0.07 0.00 -2.01 0.00 0.00 31.29 29.73 1d2h h VAL 254 CO 0.04 0.00 0.42 1.56 -1.01 0.00 0.00 177.57 178.59 1d2h h GLN 255 N -0.83 0.70 -0.74 4.17 4.20 -1.49 -1.62 115.11 119.49 1d2h h GLN 255 Ca -0.04 -0.04 0.11 0.00 0.06 0.00 0.00 58.65 58.73 1d2h h GLN 255 Cb 0.72 -0.16 -0.12 0.00 0.30 0.00 0.00 27.48 28.22 1d2h h GLN 255 CO -0.02 0.46 -0.44 1.49 -0.67 0.00 0.00 178.83 179.66 1d2h h GLU 256 N 0.72 -0.13 -1.10 1.46 4.81 -1.04 0.25 114.58 119.55 1d2h h GLU 256 Ca 0.38 0.01 0.30 0.00 -0.13 0.00 0.00 59.36 59.92 1d2h h GLU 256 Cb 0.36 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.69 1d2h h GLU 256 CO -0.25 -0.09 0.75 0.00 -0.73 0.00 0.00 179.01 178.69 1d2h h ALA 257 N 0.83 2.65 -0.08 2.92 0.00 -1.00 1.08 119.26 125.65 1d2h h ALA 257 Ca 0.22 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1d2h h ALA 257 Cb 0.55 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1d2h h ALA 257 CO -0.80 -1.03 0.00 1.19 0.00 0.00 0.00 179.25 178.61 1d2h n PHE 258 N -4.42 0.10 0.00 0.00 3.72 0.87 -4.81 117.46 112.92 1d2h n PHE 258 Ca 0.25 -0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.60 1d2h n PHE 258 Cb 1.06 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.60 1d2h n PHE 258 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1d2h n GLY 259 N 0.81 0.77 0.00 1.37 0.00 0.37 -3.34 105.19 105.17 1d2h n GLY 259 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1d2h n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d2h n GLY 260 N -1.64 3.39 3.55 -0.02 0.00 -1.24 -4.99 105.19 104.25 1d2h n GLY 260 Ca 0.00 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 45.16 1d2h n GLY 260 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1d2h s ARG 261 N 0.00 1.98 -0.01 1.61 1.70 -1.21 -4.80 118.95 118.22 1d2h s ARG 261 Ca 0.00 0.84 -0.30 0.00 -0.47 0.00 0.00 55.73 55.80 1d2h s ARG 261 Cb 0.00 -4.68 0.12 0.00 -0.57 0.00 0.00 34.95 29.81 1d2h s ARG 261 CO 0.00 -3.70 1.26 0.00 -1.08 0.00 0.00 175.30 171.77 1d2h s GLN 263 N -2.49 2.73 -0.09 0.00 1.11 -0.77 -4.88 119.66 115.26 1d2h s GLN 263 Ca 0.14 -0.73 0.00 0.00 0.01 0.00 0.00 55.36 54.78 1d2h s GLN 263 Cb 0.04 -2.35 -0.03 0.00 -1.01 0.00 0.00 33.01 29.67 1d2h s GLN 263 CO -0.03 -0.17 -0.09 -1.58 0.01 0.00 0.00 175.29 173.43 1d2h s HIS 264 N 1.23 2.89 -0.16 0.91 5.65 -1.26 -1.58 115.29 122.96 1d2h s HIS 264 Ca 0.02 -0.20 -0.05 0.00 0.25 0.00 0.00 55.06 55.08 1d2h s HIS 264 Cb -0.14 -1.77 0.08 0.00 -1.18 0.00 0.00 32.58 29.58 1d2h s HIS 264 CO -0.09 0.13 0.29 -1.54 -0.65 0.00 0.00 174.74 172.88 1d2h s SER 265 N -0.35 0.43 -0.32 9.88 1.04 -0.88 -5.03 113.70 118.46 1d2h s SER 265 Ca 0.05 0.47 -0.07 0.00 0.48 0.00 0.00 55.95 56.88 1d2h s SER 265 Cb -0.12 0.78 0.03 0.00 0.10 0.00 0.00 66.02 66.80 1d2h s SER 265 CO 0.02 -0.26 0.10 0.54 0.98 0.00 0.00 173.24 174.62 1d2h s VAL 266 N 2.44 3.88 0.05 5.02 0.11 -1.26 -1.72 120.40 128.93 1d2h s VAL 266 Ca 0.03 -0.95 -0.10 0.00 -2.93 0.00 0.00 61.98 58.03 1d2h s VAL 266 Cb -0.13 -3.12 -0.06 0.00 -1.53 0.00 0.00 36.38 31.54 1d2h s VAL 266 CO -0.10 -0.08 0.38 -0.76 -3.33 0.00 0.00 175.10 171.20 1d2h s LEU 267 N 1.45 4.37 0.00 2.54 1.43 -0.72 -3.78 118.68 123.97 1d2h s LEU 267 Ca 0.00 0.77 -0.20 0.00 -1.03 0.00 0.00 54.13 53.68 1d2h s LEU 267 Cb -0.19 -2.87 0.30 0.00 0.03 0.00 0.00 46.19 43.47 1d2h s LEU 267 CO 0.03 0.21 0.90 0.61 0.23 0.00 0.00 176.35 178.33 1d2h n GLY 268 N 1.08 -3.19 0.00 -3.19 0.00 -0.80 -1.86 105.19 97.23 1d2h n GLY 268 Ca -0.09 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1d2h n GLY 268 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1d2h n ASP 269 N -4.99 0.00 0.00 1.61 9.92 -0.24 -3.02 116.55 119.83 1d2h n ASP 269 Ca 0.13 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.39 1d2h n ASP 269 Cb 0.53 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.01 1d2h n ASP 269 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1d2h n PHE 270 N 0.00 0.00 -3.01 1.24 0.99 -1.26 -4.55 117.46 110.87 1d2h n PHE 270 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.45 57.26 1d2h n PHE 270 Cb 0.00 0.03 0.05 0.00 -1.00 0.00 0.00 39.48 38.56 1d2h n PHE 270 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 1d2h s LYS 271 N 0.00 2.42 0.94 -1.08 1.02 -1.17 -4.96 119.74 116.90 1d2h s LYS 271 Ca 0.00 -1.51 -0.10 0.00 0.02 0.00 0.00 55.97 54.37 1d2h s LYS 271 Cb 0.00 -2.66 0.16 0.00 -0.52 0.00 0.00 37.83 34.81 1d2h s LYS 271 CO 0.00 -0.74 1.13 -2.14 -0.92 0.00 0.00 175.35 172.69 1d2h s PRO 272 N -4.61 0.84 -0.10 -1.68 0.02 -1.26 -1.91 135.00 126.31 1d2h s PRO 272 Ca 0.60 1.47 -0.03 0.00 0.02 0.00 0.00 61.00 63.06 1d2h s PRO 272 Cb -0.07 -1.71 0.05 0.00 0.02 0.00 0.00 34.50 32.79 1d2h s PRO 272 CO 0.38 -2.72 0.14 -0.47 -0.33 0.00 0.00 177.00 173.99 1d2h s TYR 273 N -2.64 -0.09 -0.03 6.54 5.04 -1.25 -4.09 117.35 120.83 1d2h s TYR 273 Ca 0.67 0.37 0.07 0.00 -2.44 0.00 0.00 57.07 55.74 1d2h s TYR 273 Cb -0.23 -0.38 -0.02 0.00 0.35 0.00 0.00 41.96 41.69 1d2h s TYR 273 CO 0.59 -0.33 -0.26 -0.98 -1.34 0.00 0.00 175.55 173.23 1d2h s ARG 274 N 2.25 2.22 0.68 4.97 1.70 -1.26 -4.88 118.95 124.63 1d2h s ARG 274 Ca 0.04 -0.92 -0.17 0.00 -0.47 0.00 0.00 55.73 54.21 1d2h s ARG 274 Cb -0.13 -2.07 -0.14 0.00 -0.57 0.00 0.00 34.95 32.04 1d2h s ARG 274 CO -0.06 0.51 -0.39 -2.30 -1.08 0.00 0.00 175.30 171.97 1d2h n PRO 275 N 2.57 0.00 -3.99 3.89 -0.02 -1.26 -3.67 135.00 132.52 1d2h n PRO 275 Ca -0.16 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 60.92 1d2h n PRO 275 Cb 0.51 -0.95 0.01 0.00 -0.02 0.00 0.00 33.50 33.05 1d2h n PRO 275 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1d2h n GLY 276 N 2.79 -0.81 2.77 -1.23 0.00 -1.26 -4.97 105.19 102.48 1d2h n GLY 276 Ca 0.04 0.33 -0.15 0.00 0.00 0.00 0.00 46.02 46.24 1d2h n GLY 276 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d2h n GLN 277 N -4.29 0.77 0.09 1.61 10.64 -1.24 -5.05 117.38 119.92 1d2h n GLN 277 Ca -0.13 -2.30 -0.22 0.00 -1.83 0.00 0.00 57.00 52.52 1d2h n GLN 277 Cb 0.52 -0.04 -0.15 0.00 -0.86 0.00 0.00 30.24 29.70 1d2h n GLN 277 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1d2h h ALA 278 N 0.36 -0.08 -2.55 2.61 0.00 -1.93 -3.46 119.26 114.22 1d2h h ALA 278 Ca -0.21 -0.84 -0.48 0.00 0.00 0.00 0.00 54.91 53.38 1d2h h ALA 278 Cb 0.90 0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.89 1d2h h ALA 278 CO 0.31 0.60 0.40 -0.47 0.00 0.00 0.00 179.25 180.10 1d2h s TYR 279 N -2.52 3.44 -0.20 0.00 6.04 -1.26 -5.05 117.35 117.80 1d2h s TYR 279 Ca -0.12 1.69 -0.03 0.00 0.04 0.00 0.00 57.07 58.65 1d2h s TYR 279 Cb 0.03 -3.10 -0.01 0.00 -1.04 0.00 0.00 41.96 37.84 1d2h s TYR 279 CO 0.88 -0.39 -0.08 0.54 -1.54 0.00 0.00 175.55 174.96 1d2h s VAL 280 N -1.56 3.13 0.24 3.14 0.11 -1.26 -5.08 120.40 119.13 1d2h s VAL 280 Ca 0.53 -0.58 -0.09 0.00 -2.93 0.00 0.00 61.98 58.91 1d2h s VAL 280 Cb -0.23 -2.40 -0.07 0.00 -1.53 0.00 0.00 36.38 32.16 1d2h s VAL 280 CO 0.29 0.46 0.55 -2.16 -3.33 0.00 0.00 175.10 170.91 1d2h s PRO 281 N 1.27 3.77 -0.08 1.54 0.04 -1.26 -4.96 135.00 135.33 1d2h s PRO 281 Ca 0.03 0.23 0.20 0.00 0.04 0.00 0.00 61.00 61.51 1d2h s PRO 281 Cb -0.14 -2.64 -0.30 0.00 0.04 0.00 0.00 34.50 31.46 1d2h s PRO 281 CO -0.03 0.29 0.34 0.00 0.04 0.00 0.00 177.00 177.63 1d2h s TYR 283 N -3.15 -0.04 -0.29 0.00 1.51 -1.26 -1.26 117.35 112.85 1d2h s TYR 283 Ca -0.08 0.15 -0.07 0.00 -1.01 0.00 0.00 57.07 56.06 1d2h s TYR 283 Cb 0.11 -0.04 0.00 0.00 -0.11 0.00 0.00 41.96 41.92 1d2h s TYR 283 CO 0.85 -0.05 0.08 -0.06 -1.11 0.00 0.00 175.55 175.26 1d2h s PHE 284 N 0.34 3.13 -0.27 2.71 0.40 -0.41 -1.08 117.98 122.81 1d2h s PHE 284 Ca -0.03 -0.89 -0.15 0.00 -0.60 0.00 0.00 56.93 55.26 1d2h s PHE 284 Cb -0.04 -2.25 -0.04 0.00 0.51 0.00 0.00 43.02 41.20 1d2h s PHE 284 CO -0.01 -0.54 0.38 0.42 0.70 0.00 0.00 175.22 176.16 1d2h s ILE 285 N 1.52 5.17 -0.41 0.64 1.09 -0.78 -2.07 121.20 126.37 1d2h s ILE 285 Ca 0.03 0.59 -0.13 0.00 -1.10 0.00 0.00 60.65 60.04 1d2h s ILE 285 Cb -0.17 -3.70 0.04 0.00 -1.06 0.00 0.00 42.46 37.57 1d2h s ILE 285 CO 0.03 0.16 0.27 -1.00 -0.10 0.00 0.00 174.94 174.29 1d2h s HIS 286 N 2.06 3.25 -0.22 3.97 3.76 -0.64 -1.75 115.29 125.72 1d2h s HIS 286 Ca 0.15 -0.92 -0.09 0.00 -0.15 0.00 0.00 55.06 54.05 1d2h s HIS 286 Cb -0.16 -2.67 -0.05 0.00 1.11 0.00 0.00 32.58 30.82 1d2h s HIS 286 CO 0.10 -0.68 0.13 0.14 -0.85 0.00 0.00 174.74 173.57 1d2h s VAL 287 N 1.59 5.13 0.02 -0.90 -7.23 -0.70 -2.39 120.40 115.92 1d2h s VAL 287 Ca 0.03 0.10 0.06 0.00 -1.81 0.00 0.00 61.98 60.36 1d2h s VAL 287 Cb -0.20 -3.37 -0.02 0.00 0.56 0.00 0.00 36.38 33.34 1d2h s VAL 287 CO 0.07 0.38 -0.17 -0.76 -0.31 0.00 0.00 175.10 174.31 1d2h s LEU 288 N 0.90 2.11 -0.64 1.32 2.01 -0.56 -2.07 118.68 121.75 1d2h s LEU 288 Ca 0.06 -0.41 0.04 0.00 0.01 0.00 0.00 54.13 53.83 1d2h s LEU 288 Cb -0.13 -0.83 0.16 0.00 0.01 0.00 0.00 46.19 45.40 1d2h s LEU 288 CO 0.03 0.14 0.42 -0.75 1.01 0.00 0.00 176.35 177.20 1d2h s LYS 289 N -0.84 2.33 0.30 1.70 2.20 -0.61 -1.61 119.74 123.20 1d2h s LYS 289 Ca 0.05 -3.04 -0.28 0.00 -0.36 0.00 0.00 55.97 52.34 1d2h s LYS 289 Cb -0.08 -3.43 -0.14 0.00 -1.51 0.00 0.00 37.83 32.68 1d2h s LYS 289 CO 0.01 -1.21 1.01 1.17 -0.36 0.00 0.00 175.35 175.96 1d2h n LYS 290 N 2.48 1.36 0.00 4.03 4.81 -0.17 -1.85 118.16 128.82 1d2h n LYS 290 Ca 0.14 0.48 0.00 0.00 -0.87 0.00 0.00 58.31 58.05 1d2h n LYS 290 Cb 0.34 -1.86 0.00 0.00 0.02 0.00 0.00 35.03 33.53 1d2h n LYS 290 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1d2h n THR 291 N 0.18 0.00 -1.29 3.15 -2.24 -0.57 -0.70 114.28 112.80 1d2h n THR 291 Ca 0.09 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1d2h n THR 291 Cb 0.32 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.65 1d2h n THR 291 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11