#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2duo n GLU 52 N 0.00 0.12 -0.17 -1.46 1.02 -1.26 -2.47 120.64 116.43 2duo n GLU 52 Ca 0.00 0.35 0.05 0.00 -0.02 0.00 0.00 57.16 57.54 2duo n GLU 52 Cb 0.00 -1.73 0.14 0.00 -0.02 0.00 0.00 31.44 29.83 2duo n GLU 52 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2duo n HIS 53 N -1.97 0.43 -2.11 -0.32 8.25 -1.26 -5.00 115.22 113.24 2duo n HIS 53 Ca 0.03 -0.51 -0.42 0.00 -0.26 0.00 0.00 57.72 56.55 2duo n HIS 53 Cb 0.22 -0.04 -0.03 0.00 1.12 0.00 0.00 29.99 31.26 2duo n HIS 53 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2duo s LEU 54 N -1.07 4.33 -0.71 2.41 2.96 -1.03 -1.00 118.68 124.57 2duo s LEU 54 Ca 0.21 2.25 -0.19 0.00 -0.22 0.00 0.00 54.13 56.19 2duo s LEU 54 Cb 0.12 -3.56 0.12 0.00 0.50 0.00 0.00 46.19 43.36 2duo s LEU 54 CO 0.14 -0.78 0.86 -0.54 -1.32 0.00 0.00 176.35 174.70 2duo s LYS 55 N 2.48 3.25 0.52 1.98 -0.14 0.20 -4.93 119.74 123.10 2duo s LYS 55 Ca 0.68 -1.48 0.18 0.00 -1.36 0.00 0.00 55.97 53.99 2duo s LYS 55 Cb -0.35 -4.43 1.33 0.00 -1.68 0.00 0.00 37.83 32.69 2duo s LYS 55 CO 0.29 -1.61 2.14 -0.09 -0.76 0.00 0.00 175.35 175.31 2duo h ARG 56 N 9.00 0.00 0.00 1.68 9.65 -1.93 -1.58 114.38 131.20 2duo h ARG 56 Ca -0.14 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.74 2duo h ARG 56 Cb 1.06 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.64 2duo h ARG 56 CO 1.08 0.03 0.00 1.05 2.80 0.00 0.00 179.97 184.93 2duo h GLU 57 N 0.00 0.00 -0.15 0.20 9.09 -1.96 -2.71 114.58 119.05 2duo h GLU 57 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2duo h GLU 57 Cb 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.16 2duo h GLU 57 CO 0.00 0.00 0.00 0.72 0.05 0.00 0.00 179.01 179.78 2duo n HIS 58 N -2.71 0.43 -4.49 2.06 8.25 -0.61 -4.81 115.22 113.35 2duo n HIS 58 Ca 0.02 -0.81 -0.28 0.00 -0.26 0.00 0.00 57.72 56.39 2duo n HIS 58 Cb 0.29 -0.18 -0.13 0.00 1.12 0.00 0.00 29.99 31.08 2duo n HIS 58 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2duo s SER 59 N -1.98 3.04 -0.26 0.41 0.01 -1.02 -4.20 113.70 109.70 2duo s SER 59 Ca 0.30 -0.68 0.02 0.00 1.31 0.00 0.00 55.95 56.90 2duo s SER 59 Cb 0.24 -0.21 0.05 0.00 0.21 0.00 0.00 66.02 66.31 2duo s SER 59 CO 0.07 0.17 -0.10 -0.22 0.41 0.00 0.00 173.24 173.56 2duo s LEU 60 N -1.79 3.38 -0.00 2.44 2.96 0.56 -4.96 118.68 121.27 2duo s LEU 60 Ca 0.11 -1.29 0.04 0.00 -0.22 0.00 0.00 54.13 52.77 2duo s LEU 60 Cb -0.10 -1.57 -0.01 0.00 0.50 0.00 0.00 46.19 45.01 2duo s LEU 60 CO 0.04 -0.18 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.14 2duo s ILE 61 N 1.15 0.97 0.52 6.68 1.01 -1.26 -1.31 121.20 128.95 2duo s ILE 61 Ca -0.07 -0.60 -0.23 0.00 0.00 0.00 0.00 60.65 59.76 2duo s ILE 61 Cb -0.19 -0.82 -0.06 0.00 0.01 0.00 0.00 42.46 41.40 2duo s ILE 61 CO -0.05 0.22 1.36 -1.59 0.00 0.00 0.00 174.94 174.88 2duo s LYS 62 N -0.43 3.30 -0.13 2.79 -2.85 -1.26 -0.53 119.74 120.62 2duo s LYS 62 Ca 0.04 2.25 0.04 0.00 -1.00 0.00 0.00 55.97 57.30 2duo s LYS 62 Cb -0.05 -2.36 0.31 0.00 -2.06 0.00 0.00 37.83 33.67 2duo s LYS 62 CO -0.00 -1.06 1.15 -0.35 0.10 0.00 0.00 175.35 175.19 2duo n PRO 63 N -0.80 2.15 -3.04 1.78 -0.04 -1.26 -4.93 135.00 128.87 2duo n PRO 63 Ca 0.09 -1.25 -0.14 0.00 -0.04 0.00 0.00 63.50 62.16 2duo n PRO 63 Cb 0.44 -1.68 0.04 0.00 -0.04 0.00 0.00 33.50 32.27 2duo n PRO 63 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2duo n TYR 64 N 0.09 -1.57 -0.12 0.54 4.02 0.31 -4.80 117.16 115.63 2duo n TYR 64 Ca 0.16 0.53 0.07 0.00 -0.01 0.00 0.00 57.90 58.65 2duo n TYR 64 Cb 0.77 -3.30 0.17 0.00 -0.02 0.00 0.00 39.34 36.96 2duo n TYR 64 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 2duo n GLN 65 N -3.03 2.62 -1.72 -0.72 1.13 -1.26 -5.01 117.38 109.38 2duo n GLN 65 Ca -0.01 -2.06 -0.42 0.00 -1.94 0.00 0.00 57.00 52.57 2duo n GLN 65 Cb 0.54 -1.31 -0.01 0.00 0.11 0.00 0.00 30.24 29.57 2duo n GLN 65 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2duo n GLY 66 N 0.71 0.88 3.26 1.08 0.00 -1.26 -4.93 105.19 104.93 2duo n GLY 66 Ca 0.13 0.36 -0.17 0.00 0.00 0.00 0.00 46.02 46.35 2duo n GLY 66 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2duo s VAL 67 N -0.78 1.33 0.00 1.61 -7.23 -1.26 -1.44 120.40 112.63 2duo s VAL 67 Ca 0.58 -1.89 0.00 0.00 -1.81 0.00 0.00 61.98 58.86 2duo s VAL 67 Cb -0.55 -1.70 0.00 0.00 0.56 0.00 0.00 36.38 34.70 2duo s VAL 67 CO 0.59 -0.55 0.00 0.61 -0.31 0.00 0.00 175.10 175.44 2duo n GLY 68 N 0.18 -0.11 0.29 2.32 0.00 -0.07 -4.77 105.19 103.04 2duo n GLY 68 Ca -0.13 -1.81 0.17 0.00 0.00 0.00 0.00 46.02 44.25 2duo n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2duo h SER 69 N 0.00 0.00 -0.72 1.61 4.64 -2.01 -1.50 113.55 115.57 2duo h SER 69 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 2duo h SER 69 Cb 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.96 2duo h SER 69 CO 0.00 0.05 0.26 -1.20 -0.87 0.00 0.00 176.83 175.07 2duo n SER 70 N -3.35 4.80 -1.79 4.97 7.64 -1.26 -4.95 113.62 119.67 2duo n SER 70 Ca -0.02 -3.23 -0.17 0.00 1.01 0.00 0.00 58.87 56.45 2duo n SER 70 Cb 0.20 -0.74 -0.05 0.00 -1.01 0.00 0.00 64.21 62.61 2duo n SER 70 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2duo n SER 71 N -0.18 -4.77 -4.86 6.43 7.64 -0.56 -4.99 113.62 112.32 2duo n SER 71 Ca 0.41 0.32 -0.35 0.00 1.01 0.00 0.00 58.87 60.25 2duo n SER 71 Cb 1.38 -4.19 -0.06 0.00 -1.01 0.00 0.00 64.21 60.33 2duo n SER 71 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2duo s MET 72 N -3.97 3.82 0.22 1.43 1.00 -1.26 -4.81 119.30 115.73 2duo s MET 72 Ca 0.00 0.26 -0.30 0.00 0.00 0.00 0.00 55.69 55.65 2duo s MET 72 Cb 0.00 -3.00 -0.15 0.00 0.00 0.00 0.00 34.83 31.68 2duo s MET 72 CO 0.00 0.55 1.03 -2.30 0.00 0.00 0.00 175.02 174.30 2duo n PRO 73 N 0.94 1.11 0.23 2.03 -0.02 -1.26 -0.89 135.00 137.14 2duo n PRO 73 Ca -0.08 0.39 0.08 0.00 -2.02 0.00 0.00 63.50 61.88 2duo n PRO 73 Cb 0.52 -1.78 0.57 0.00 -0.02 0.00 0.00 33.50 32.78 2duo n PRO 73 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2duo h LEU 74 N 2.52 0.00 -8.06 2.45 3.38 -1.55 -3.43 115.31 110.62 2duo h LEU 74 Ca -0.40 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.16 2duo h LEU 74 Cb 1.35 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.82 2duo h LEU 74 CO 0.64 0.20 -0.78 0.26 0.09 0.00 0.00 178.44 178.85 2duo s TRP 75 N -4.30 0.88 -0.03 1.13 0.52 -1.26 -0.05 118.94 115.82 2duo s TRP 75 Ca -0.03 -0.17 0.04 0.00 0.02 0.00 0.00 56.10 55.96 2duo s TRP 75 Cb 0.14 -0.57 -0.03 0.00 -1.15 0.00 0.00 33.47 31.87 2duo s TRP 75 CO 0.65 -0.02 -0.15 -0.51 0.02 0.00 0.00 176.95 176.95 2duo s ASP 76 N -0.23 4.02 0.24 2.95 1.01 -0.15 -4.90 116.67 119.61 2duo s ASP 76 Ca 0.04 -0.23 0.10 0.00 0.71 0.00 0.00 52.55 53.17 2duo s ASP 76 Cb -0.04 -0.82 -0.05 0.00 1.01 0.00 0.00 42.92 43.02 2duo s ASP 76 CO -0.00 0.33 -0.18 0.72 0.21 0.00 0.00 175.17 176.25 2duo s PHE 77 N -0.77 2.05 0.03 4.23 -0.12 -1.26 -0.63 117.98 121.51 2duo s PHE 77 Ca 0.12 -0.43 -0.14 0.00 -0.05 0.00 0.00 56.93 56.43 2duo s PHE 77 Cb -0.11 -0.93 0.02 0.00 -0.63 0.00 0.00 43.02 41.38 2duo s PHE 77 CO 0.01 0.55 0.31 -1.14 -0.05 0.00 0.00 175.22 174.90 2duo s GLN 78 N -3.43 0.77 3.39 1.99 -0.44 -0.67 -5.00 119.66 116.27 2duo s GLN 78 Ca 0.26 -0.42 0.00 0.00 -2.50 0.00 0.00 55.36 52.69 2duo s GLN 78 Cb -0.04 0.34 0.00 0.00 -1.64 0.00 0.00 33.01 31.67 2duo s GLN 78 CO 0.11 -0.24 0.00 0.41 0.50 0.00 0.00 175.29 176.07 2duo n GLY 79 N 0.76 0.47 0.00 2.59 0.00 -1.26 -1.04 105.19 106.71 2duo n GLY 79 Ca -0.19 -1.05 0.13 0.00 0.00 0.00 0.00 46.02 44.91 2duo n GLY 79 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2duo n SER 80 N 3.47 0.00 -4.64 1.61 3.41 0.77 -4.91 113.62 113.32 2duo n SER 80 Ca 0.00 0.03 -0.47 0.00 -0.26 0.00 0.00 58.87 58.17 2duo n SER 80 Cb 0.00 -0.33 -0.04 0.00 -0.26 0.00 0.00 64.21 63.58 2duo n SER 80 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2duo n THR 81 N -1.33 0.44 -4.21 6.66 -1.04 -1.14 -4.77 114.28 108.89 2duo n THR 81 Ca 0.12 -0.11 -0.17 0.00 -2.04 0.00 0.00 64.05 61.84 2duo n THR 81 Cb 0.24 -1.30 -0.13 0.00 -1.82 0.00 0.00 70.33 67.33 2duo n THR 81 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 2duo s ILE 82 N 0.36 0.87 -0.20 12.58 -4.36 -0.60 -4.84 121.20 125.01 2duo s ILE 82 Ca 0.75 -1.01 -0.12 0.00 -0.26 0.00 0.00 60.65 60.01 2duo s ILE 82 Cb -0.74 -0.84 -0.05 0.00 1.25 0.00 0.00 42.46 42.09 2duo s ILE 82 CO 0.45 -0.15 0.24 -0.76 0.24 0.00 0.00 174.94 174.96 2duo s LEU 83 N -1.29 4.19 0.39 0.37 1.43 -1.26 -0.97 118.68 121.54 2duo s LEU 83 Ca -0.03 0.34 0.07 0.00 -1.03 0.00 0.00 54.13 53.49 2duo s LEU 83 Cb -0.08 -2.26 -0.08 0.00 0.03 0.00 0.00 46.19 43.80 2duo s LEU 83 CO 0.01 0.08 0.01 0.42 0.23 0.00 0.00 176.35 177.10 2duo s THR 84 N 0.72 1.91 0.50 5.49 -4.23 -0.14 -5.00 115.64 114.89 2duo s THR 84 Ca 0.13 -2.01 0.22 0.00 -1.18 0.00 0.00 61.69 58.84 2duo s THR 84 Cb -0.13 -2.95 0.38 0.00 1.34 0.00 0.00 72.50 71.15 2duo s THR 84 CO 0.03 -0.02 1.98 0.77 -0.54 0.00 0.00 174.62 176.85 2duo h SER 85 N 1.84 0.11 0.00 3.99 4.64 -1.99 -3.19 113.55 118.95 2duo h SER 85 Ca -0.43 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2duo h SER 85 Cb 1.24 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2duo h SER 85 CO 0.79 0.06 -0.87 0.00 -0.87 0.00 0.00 176.83 175.94 2duo n GLN 86 N -4.41 2.36 -3.50 4.77 1.13 -1.26 -4.49 117.38 111.98 2duo n GLN 86 Ca 0.11 -0.04 -0.09 0.00 -1.94 0.00 0.00 57.00 55.04 2duo n GLN 86 Cb 0.57 -1.05 -0.02 0.00 0.11 0.00 0.00 30.24 29.84 2duo n GLN 86 CO 0.00 0.00 0.00 1.52 -1.44 0.00 0.00 177.06 177.14 2duo s TYR 87 N -2.19 -0.37 -0.31 1.08 -0.85 -1.21 -4.82 117.35 108.69 2duo s TYR 87 Ca 0.00 0.27 -0.16 0.00 -0.52 0.00 0.00 57.07 56.66 2duo s TYR 87 Cb 0.06 0.53 -0.02 0.00 0.38 0.00 0.00 41.96 42.91 2duo s TYR 87 CO 0.37 -0.56 0.41 0.08 -1.52 0.00 0.00 175.55 174.33 2duo s VAL 88 N -3.00 5.13 -0.52 -3.49 1.01 -0.12 -0.96 120.40 118.44 2duo s VAL 88 Ca 0.04 0.40 -0.18 0.00 0.00 0.00 0.00 61.98 62.24 2duo s VAL 88 Cb -0.01 -3.80 0.08 0.00 0.00 0.00 0.00 36.38 32.64 2duo s VAL 88 CO -0.08 -0.00 0.57 -0.60 0.00 0.00 0.00 175.10 174.99 2duo s ARG 89 N 2.15 3.06 0.08 2.72 3.52 -0.14 -0.40 118.95 129.94 2duo s ARG 89 Ca 0.15 -1.15 -0.19 0.00 -0.13 0.00 0.00 55.73 54.41 2duo s ARG 89 Cb -0.16 -4.16 -0.09 0.00 -1.56 0.00 0.00 34.95 28.99 2duo s ARG 89 CO 0.11 -1.24 1.52 -0.07 -0.81 0.00 0.00 175.30 174.81 2duo h LEU 90 N 9.45 0.41 -8.05 -0.88 3.38 -1.24 -1.59 115.31 116.80 2duo h LEU 90 Ca -0.28 -0.31 -0.32 0.00 0.09 0.00 0.00 57.88 57.06 2duo h LEU 90 Cb 1.10 -0.11 -0.25 0.00 0.09 0.00 0.00 40.66 41.48 2duo h LEU 90 CO 0.98 0.62 -0.75 0.42 0.09 0.00 0.00 178.44 179.79 2duo s THR 91 N -5.00 0.53 0.91 0.22 -4.23 -1.20 -2.89 115.64 103.98 2duo s THR 91 Ca -0.14 -0.63 -0.13 0.00 -1.18 0.00 0.00 61.69 59.62 2duo s THR 91 Cb 0.07 -0.51 0.14 0.00 1.34 0.00 0.00 72.50 73.54 2duo s THR 91 CO 0.74 -0.09 1.16 -2.16 -0.54 0.00 0.00 174.62 173.74 2duo s PRO 92 N -0.78 1.17 -1.44 3.99 0.04 -1.26 -2.07 135.00 134.65 2duo s PRO 92 Ca -0.03 0.16 -0.11 0.00 0.04 0.00 0.00 61.00 61.06 2duo s PRO 92 Cb -0.06 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.58 2duo s PRO 92 CO 0.00 -2.15 2.59 -3.47 0.04 0.00 0.00 177.00 174.01 2duo n ASP 93 N -3.71 6.57 -4.11 6.66 2.03 -1.25 -4.30 116.55 118.44 2duo n ASP 93 Ca 0.08 -2.62 -0.13 0.00 0.52 0.00 0.00 54.79 52.65 2duo n ASP 93 Cb 0.60 -1.50 -0.11 0.00 -0.72 0.00 0.00 41.12 39.39 2duo n ASP 93 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2duo s GLU 94 N 2.78 0.66 0.50 -0.67 2.02 -1.26 -4.81 118.70 117.92 2duo s GLU 94 Ca 0.59 -0.97 -0.21 0.00 0.02 0.00 0.00 54.97 54.41 2duo s GLU 94 Cb 0.16 -0.31 -0.07 0.00 0.10 0.00 0.00 34.13 34.00 2duo s GLU 94 CO -0.05 0.04 1.10 1.03 0.02 0.00 0.00 175.26 177.39 2duo s ARG 95 N -2.34 3.62 -1.22 1.61 0.52 -1.26 -4.33 118.95 115.54 2duo s ARG 95 Ca -0.02 1.55 -0.02 0.00 -0.52 0.00 0.00 55.73 56.72 2duo s ARG 95 Cb -0.05 -2.13 -0.01 0.00 0.52 0.00 0.00 34.95 33.28 2duo s ARG 95 CO -0.01 -0.62 0.85 0.43 0.02 0.00 0.00 175.30 175.97 2duo n SER 96 N -0.98 -2.38 -4.46 0.23 7.64 -0.43 -4.94 113.62 108.30 2duo n SER 96 Ca 0.10 -0.74 -0.28 0.00 1.01 0.00 0.00 58.87 58.96 2duo n SER 96 Cb 0.51 -4.59 -0.11 0.00 -1.01 0.00 0.00 64.21 59.00 2duo n SER 96 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2duo s LYS 97 N -5.54 1.66 -0.06 1.43 -0.14 -1.17 -4.96 119.74 110.96 2duo s LYS 97 Ca 0.08 -1.37 -0.09 0.00 -1.36 0.00 0.00 55.97 53.23 2duo s LYS 97 Cb -0.02 -1.97 0.02 0.00 -1.68 0.00 0.00 37.83 34.18 2duo s LYS 97 CO 0.77 0.43 0.23 -1.21 -0.76 0.00 0.00 175.35 174.81 2duo s GLU 98 N -2.49 0.38 -0.02 1.68 2.02 -1.26 -0.89 118.70 118.12 2duo s GLU 98 Ca 0.20 0.10 -0.14 0.00 0.02 0.00 0.00 54.97 55.15 2duo s GLU 98 Cb -0.09 0.17 0.02 0.00 0.10 0.00 0.00 34.13 34.33 2duo s GLU 98 CO 0.10 -0.07 0.29 0.20 0.02 0.00 0.00 175.26 175.80 2duo s GLY 99 N -0.40 -0.14 0.14 -1.39 0.00 -0.82 -0.16 107.32 104.56 2duo s GLY 99 Ca -0.05 0.30 0.01 0.00 0.00 0.00 0.00 44.72 44.98 2duo s GLY 99 CO 0.01 0.11 0.01 -0.56 0.00 0.00 0.00 173.10 172.67 2duo s SER 100 N -1.26 0.82 -0.11 1.64 0.01 -0.20 -1.42 113.70 113.18 2duo s SER 100 Ca -0.13 -1.15 -0.06 0.00 1.31 0.00 0.00 55.95 55.92 2duo s SER 100 Cb -0.05 0.19 0.05 0.00 0.21 0.00 0.00 66.02 66.41 2duo s SER 100 CO 0.04 -0.62 0.26 -0.51 0.41 0.00 0.00 173.24 172.82 2duo s ILE 101 N -3.82 -0.04 -0.04 1.44 2.07 0.27 -1.68 121.20 119.41 2duo s ILE 101 Ca 0.21 0.13 0.02 0.00 -1.41 0.00 0.00 60.65 59.61 2duo s ILE 101 Cb 0.07 -0.39 0.01 0.00 0.13 0.00 0.00 42.46 42.27 2duo s ILE 101 CO 0.01 0.05 -0.11 0.26 -1.91 0.00 0.00 174.94 173.25 2duo s TRP 102 N 1.19 1.19 0.17 3.50 0.52 0.20 -0.98 118.94 124.73 2duo s TRP 102 Ca -0.09 -0.36 -0.31 0.00 0.02 0.00 0.00 56.10 55.35 2duo s TRP 102 Cb -0.10 -0.87 -0.10 0.00 -1.15 0.00 0.00 33.47 31.25 2duo s TRP 102 CO -0.08 -0.18 1.56 1.21 0.02 0.00 0.00 176.95 179.47 2duo s ASN 103 N 0.43 6.60 0.29 2.95 3.04 -0.07 -0.97 114.94 127.20 2duo s ASN 103 Ca -0.08 2.61 -0.00 0.00 0.04 0.00 0.00 52.86 55.42 2duo s ASN 103 Cb -0.12 -2.59 0.43 0.00 -1.54 0.00 0.00 41.25 37.42 2duo s ASN 103 CO 0.02 -0.81 1.81 -0.74 -3.04 0.00 0.00 177.10 174.34 2duo h HIS 104 N 6.74 0.76 -3.28 0.43 -0.00 -0.74 -3.43 115.15 115.63 2duo h HIS 104 Ca -0.43 -0.09 -0.67 0.00 -0.00 0.00 0.00 60.37 59.19 2duo h HIS 104 Cb 1.21 -0.22 -0.15 0.00 -0.00 0.00 0.00 27.41 28.25 2duo h HIS 104 CO 0.65 0.69 -0.61 -0.65 -0.00 0.00 0.00 177.93 178.01 2duo s GLN 105 N -5.05 3.14 0.58 5.26 -0.21 -1.26 -5.09 119.66 117.03 2duo s GLN 105 Ca -0.09 -0.40 -0.20 0.00 0.02 0.00 0.00 55.36 54.70 2duo s GLN 105 Cb 0.15 -2.86 -0.04 0.00 1.00 0.00 0.00 33.01 31.27 2duo s GLN 105 CO 0.79 0.63 1.24 -2.14 -2.12 0.00 0.00 175.29 173.70 2duo s PRO 106 N -0.69 3.01 -0.18 2.91 0.02 -1.26 -4.77 135.00 134.04 2duo s PRO 106 Ca 0.11 1.93 -0.14 0.00 0.02 0.00 0.00 61.00 62.92 2duo s PRO 106 Cb -0.12 -2.02 -0.05 0.00 0.02 0.00 0.00 34.50 32.34 2duo s PRO 106 CO 0.02 -1.20 0.30 0.00 -0.33 0.00 0.00 177.00 175.79 2duo n PHE 108 N 3.82 0.16 -1.89 0.00 3.01 -1.26 0.45 117.46 121.75 2duo n PHE 108 Ca -0.11 -0.16 -0.42 0.00 1.01 0.00 0.00 57.45 57.76 2duo n PHE 108 Cb 0.52 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 39.95 2duo n PHE 108 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2duo s LEU 109 N -1.00 4.37 0.11 4.37 1.43 -1.26 -4.82 118.68 121.88 2duo s LEU 109 Ca 0.18 2.71 0.11 0.00 -1.03 0.00 0.00 54.13 56.10 2duo s LEU 109 Cb 0.11 -3.61 -0.15 0.00 0.03 0.00 0.00 46.19 42.58 2duo s LEU 109 CO 0.16 -0.84 1.14 0.11 0.23 0.00 0.00 176.35 177.14 2duo h LYS 110 N 6.22 0.00 -4.05 1.70 1.57 -1.95 -3.45 116.57 116.62 2duo h LYS 110 Ca -0.44 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.77 2duo h LYS 110 Cb 1.21 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 33.13 2duo h LYS 110 CO 0.88 0.71 -0.78 -0.51 -0.57 0.00 0.00 179.45 179.18 2duo s ASP 111 N -6.43 3.46 0.07 0.86 1.01 -1.26 -4.55 116.67 109.83 2duo s ASP 111 Ca 0.00 -1.02 -0.07 0.00 0.71 0.00 0.00 52.55 52.17 2duo s ASP 111 Cb 0.09 -0.95 -0.01 0.00 1.01 0.00 0.00 42.92 43.05 2duo s ASP 111 CO 0.80 -0.26 0.13 -1.66 0.21 0.00 0.00 175.17 174.40 2duo s TRP 112 N 1.57 0.22 -0.12 4.23 1.48 -0.18 -1.02 118.94 125.12 2duo s TRP 112 Ca -0.04 -0.64 -0.02 0.00 -1.06 0.00 0.00 56.10 54.34 2duo s TRP 112 Cb -0.18 -0.13 0.04 0.00 -1.16 0.00 0.00 33.47 32.04 2duo s TRP 112 CO -0.07 -0.48 0.02 -2.00 -4.06 0.00 0.00 176.95 170.36 2duo s GLU 113 N -3.59 0.58 -0.25 3.25 2.12 -0.60 -0.42 118.70 119.78 2duo s GLU 113 Ca 0.03 -0.10 -0.14 0.00 0.36 0.00 0.00 54.97 55.12 2duo s GLU 113 Cb 0.04 -1.46 -0.04 0.00 0.26 0.00 0.00 34.13 32.94 2duo s GLU 113 CO -0.09 -0.46 0.32 1.41 -0.54 0.00 0.00 175.26 175.90 2duo s MET 114 N 1.94 4.04 -0.19 4.30 -2.45 0.93 -0.63 119.30 127.25 2duo s MET 114 Ca 0.03 -0.02 -0.06 0.00 -1.25 0.00 0.00 55.69 54.38 2duo s MET 114 Cb -0.14 -3.62 -0.03 0.00 1.25 0.00 0.00 34.83 32.29 2duo s MET 114 CO -0.07 -0.17 0.03 -1.01 1.05 0.00 0.00 175.02 174.86 2duo s HIS 115 N 1.74 3.14 -0.18 4.11 3.76 0.02 -0.05 115.29 127.83 2duo s HIS 115 Ca 0.14 -0.15 0.01 0.00 -0.15 0.00 0.00 55.06 54.90 2duo s HIS 115 Cb -0.15 -2.08 0.03 0.00 1.11 0.00 0.00 32.58 31.49 2duo s HIS 115 CO 0.09 -0.02 -0.15 0.08 -0.85 0.00 0.00 174.74 173.89 2duo s VAL 116 N 0.65 1.80 -0.36 -0.90 1.01 0.50 -0.10 120.40 123.00 2duo s VAL 116 Ca 0.02 -0.93 -0.18 0.00 0.00 0.00 0.00 61.98 60.90 2duo s VAL 116 Cb -0.14 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.51 2duo s VAL 116 CO 0.02 0.36 0.48 -2.28 0.00 0.00 0.00 175.10 173.68 2duo s HIS 117 N 1.36 3.18 0.21 5.22 2.46 -0.32 -0.62 115.29 126.78 2duo s HIS 117 Ca 0.02 0.04 0.03 0.00 0.47 0.00 0.00 55.06 55.62 2duo s HIS 117 Cb -0.14 -2.90 -0.05 0.00 -0.13 0.00 0.00 32.58 29.36 2duo s HIS 117 CO -0.10 -0.57 -0.02 -0.59 -2.47 0.00 0.00 174.74 171.00 2duo s PHE 118 N 2.31 1.45 -0.04 3.88 -0.71 -0.94 0.15 117.98 124.08 2duo s PHE 118 Ca 0.17 -0.92 -0.01 0.00 -1.04 0.00 0.00 56.93 55.12 2duo s PHE 118 Cb -0.16 -0.82 0.03 0.00 -1.21 0.00 0.00 43.02 40.86 2duo s PHE 118 CO 0.13 -0.06 0.06 0.21 -1.34 0.00 0.00 175.22 174.23 2duo s LYS 119 N -3.86 -0.05 -0.23 1.99 2.20 -0.16 -4.14 119.74 115.50 2duo s LYS 119 Ca 0.26 0.33 -0.03 0.00 -0.36 0.00 0.00 55.97 56.17 2duo s LYS 119 Cb 0.05 -0.39 0.01 0.00 -1.51 0.00 0.00 37.83 35.99 2duo s LYS 119 CO 0.07 -0.27 -0.06 0.08 -0.36 0.00 0.00 175.35 174.80 2duo s VAL 120 N 1.78 3.08 -0.16 4.02 1.01 -1.26 -0.26 120.40 128.61 2duo s VAL 120 Ca -0.00 -0.71 -0.22 0.00 0.00 0.00 0.00 61.98 61.05 2duo s VAL 120 Cb -0.12 -2.44 0.05 0.00 0.00 0.00 0.00 36.38 33.87 2duo s VAL 120 CO -0.03 0.37 0.56 -1.38 0.00 0.00 0.00 175.10 174.62 2duo s HIS 121 N 1.41 -0.58 0.11 5.22 -0.00 -0.92 -1.67 115.29 118.87 2duo s HIS 121 Ca 0.04 1.29 -0.25 0.00 -0.00 0.00 0.00 55.06 56.14 2duo s HIS 121 Cb -0.15 0.24 0.08 0.00 -0.00 0.00 0.00 32.58 32.76 2duo s HIS 121 CO -0.05 -0.38 1.10 0.20 -0.00 0.00 0.00 174.74 175.61 2duo s GLY 122 N -0.22 -0.11 0.00 -1.38 0.00 -1.26 -0.53 107.32 103.82 2duo s GLY 122 Ca -0.04 0.03 0.20 0.00 0.00 0.00 0.00 44.72 44.91 2duo s GLY 122 CO 0.03 1.78 1.22 -1.30 0.00 0.00 0.00 173.10 174.83 2duo n THR 123 N -0.63 0.25 -1.70 0.90 -2.24 -1.26 -4.98 114.28 104.62 2duo n THR 123 Ca -0.04 -0.62 -0.44 0.00 -2.27 0.00 0.00 64.05 60.68 2duo n THR 123 Cb 0.60 1.19 -0.03 0.00 -2.10 0.00 0.00 70.33 69.99 2duo n THR 123 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2duo n GLY 124 N 1.18 1.42 3.77 3.38 0.00 -1.26 -4.97 105.19 108.72 2duo n GLY 124 Ca 0.14 0.65 -0.32 0.00 0.00 0.00 0.00 46.02 46.49 2duo n GLY 124 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2duo s LYS 125 N 1.43 2.74 7.46 1.61 3.01 -1.26 -4.64 119.74 130.08 2duo s LYS 125 Ca 0.78 1.31 0.00 0.00 -1.01 0.00 0.00 55.97 57.05 2duo s LYS 125 Cb -0.57 -1.95 0.00 0.00 -1.01 0.00 0.00 37.83 34.31 2duo s LYS 125 CO 0.36 -1.29 0.00 1.63 0.51 0.00 0.00 175.35 176.56 2duo n LYS 126 N -2.64 0.00 -0.62 1.68 5.02 -1.26 -0.39 118.16 119.95 2duo n LYS 126 Ca 0.10 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.41 2duo n LYS 126 Cb 0.52 0.00 0.22 0.00 -0.02 0.00 0.00 35.03 35.76 2duo n LYS 126 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2duo n ASN 127 N 8.12 3.13 -4.04 4.39 6.94 -1.26 -4.91 115.26 127.63 2duo n ASN 127 Ca 0.00 -3.40 -0.43 0.00 -0.02 0.00 0.00 54.58 50.73 2duo n ASN 127 Cb 0.00 -0.59 0.00 0.00 -2.36 0.00 0.00 39.78 36.83 2duo n ASN 127 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2duo n LEU 128 N -0.87 6.23 -3.91 -4.53 4.77 0.47 -4.88 117.00 114.29 2duo n LEU 128 Ca 0.28 -4.45 -0.09 0.00 -0.03 0.00 0.00 56.01 51.71 2duo n LEU 128 Cb 0.97 -1.57 -0.05 0.00 -2.33 0.00 0.00 43.42 40.44 2duo n LEU 128 CO 0.18 1.08 0.15 -1.38 -1.33 0.00 0.00 177.39 176.09 2duo s HIS 129 N 1.49 0.22 0.00 -1.77 -3.43 -1.26 -4.35 115.29 106.18 2duo s HIS 129 Ca 0.43 -0.57 0.00 0.00 -0.80 0.00 0.00 55.06 54.11 2duo s HIS 129 Cb 0.07 0.19 0.00 0.00 -1.43 0.00 0.00 32.58 31.41 2duo s HIS 129 CO -0.01 -0.89 0.00 0.41 -2.00 0.00 0.00 174.74 172.25 2duo n GLY 130 N -0.32 0.56 0.03 -1.38 0.00 -1.01 -4.58 105.19 98.48 2duo n GLY 130 Ca -0.06 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.97 2duo n GLY 130 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2duo n ASP 131 N 0.00 2.17 0.00 1.61 10.43 0.59 -2.52 116.55 128.83 2duo n ASP 131 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 2duo n ASP 131 Cb 0.00 1.17 0.00 0.00 1.84 0.00 0.00 41.12 44.13 2duo n ASP 131 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2duo n GLY 132 N 2.05 0.99 3.49 0.44 0.00 -1.22 -2.42 105.19 108.53 2duo n GLY 132 Ca -0.11 -1.97 -0.30 0.00 0.00 0.00 0.00 46.02 43.65 2duo n GLY 132 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2duo s ILE 133 N -1.27 2.92 -0.03 -0.61 1.01 -0.38 -2.86 121.20 119.98 2duo s ILE 133 Ca 0.00 -1.35 0.07 0.00 0.00 0.00 0.00 60.65 59.36 2duo s ILE 133 Cb 0.00 -2.31 -0.01 0.00 0.01 0.00 0.00 42.46 40.15 2duo s ILE 133 CO 0.00 0.18 -0.23 0.00 0.00 0.00 0.00 174.94 174.89 2duo s ALA 134 N -1.08 1.98 -0.03 9.38 0.00 0.78 0.20 121.76 132.99 2duo s ALA 134 Ca 0.17 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.16 2duo s ALA 134 Cb -0.11 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.43 2duo s ALA 134 CO 0.09 0.44 -0.05 -0.51 0.00 0.00 0.00 175.76 175.73 2duo s LEU 135 N -0.37 3.24 0.00 0.00 1.43 0.28 -0.81 118.68 122.45 2duo s LEU 135 Ca 0.04 -0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.11 2duo s LEU 135 Cb -0.11 -1.80 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 2duo s LEU 135 CO 0.01 0.32 -0.13 0.26 0.23 0.00 0.00 176.35 177.03 2duo s TRP 136 N -0.94 1.19 -0.34 0.29 0.52 -0.49 -0.65 118.94 118.52 2duo s TRP 136 Ca 0.16 -0.25 -0.00 0.00 0.02 0.00 0.00 56.10 56.02 2duo s TRP 136 Cb -0.11 -0.75 0.11 0.00 -1.15 0.00 0.00 33.47 31.57 2duo s TRP 136 CO 0.05 -0.01 0.15 -0.47 0.02 0.00 0.00 176.95 176.70 2duo s TYR 137 N -0.45 1.50 0.06 -1.98 5.04 -0.28 -1.61 117.35 119.63 2duo s TYR 137 Ca 0.04 -1.79 -0.00 0.00 -2.44 0.00 0.00 57.07 52.88 2duo s TYR 137 Cb -0.06 -1.57 -0.04 0.00 0.35 0.00 0.00 41.96 40.64 2duo s TYR 137 CO -0.00 -0.85 -0.04 0.95 -1.34 0.00 0.00 175.55 174.27 2duo s THR 138 N 1.31 0.33 0.11 4.34 -4.23 -0.71 -0.82 115.64 115.98 2duo s THR 138 Ca 0.13 -1.72 -0.20 0.00 -1.18 0.00 0.00 61.69 58.71 2duo s THR 138 Cb -0.20 -1.39 -0.08 0.00 1.34 0.00 0.00 72.50 72.17 2duo s THR 138 CO -0.17 -0.90 1.75 -0.09 -0.54 0.00 0.00 174.62 174.67 2duo h ARG 139 N 3.31 0.14 -5.78 3.99 2.43 -1.28 0.11 114.38 117.30 2duo h ARG 139 Ca -0.34 -0.01 -0.65 0.00 -0.81 0.00 0.00 59.98 58.17 2duo h ARG 139 Cb 1.16 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.61 2duo h ARG 139 CO 0.62 0.09 -0.38 -0.51 -1.51 0.00 0.00 179.97 178.29 2duo s ASP 140 N -5.28 6.55 0.23 -3.80 1.01 -1.26 -4.64 116.67 109.46 2duo s ASP 140 Ca -0.13 0.66 0.10 0.00 0.71 0.00 0.00 52.55 53.88 2duo s ASP 140 Cb 0.08 -2.14 -0.05 0.00 1.01 0.00 0.00 42.92 41.83 2duo s ASP 140 CO 0.68 0.38 -0.17 0.00 0.21 0.00 0.00 175.17 176.27 2duo s ARG 141 N -1.04 1.46 -1.44 8.23 1.04 -1.26 -4.83 118.95 121.10 2duo s ARG 141 Ca 0.18 -1.63 -0.11 0.00 -1.04 0.00 0.00 55.73 53.14 2duo s ARG 141 Cb -0.14 -1.42 0.04 0.00 -2.04 0.00 0.00 34.95 31.40 2duo s ARG 141 CO 0.08 0.26 1.06 1.28 -0.04 0.00 0.00 175.30 177.94 2duo n LEU 142 N -0.34 -2.98 -4.05 -1.89 4.77 -1.26 -4.99 117.00 106.25 2duo n LEU 142 Ca -0.08 -0.62 -0.32 0.00 -0.03 0.00 0.00 56.01 54.97 2duo n LEU 142 Cb 0.60 -2.83 -0.15 0.00 -2.33 0.00 0.00 43.42 38.71 2duo n LEU 142 CO 0.35 0.55 -0.46 -0.69 -1.33 0.00 0.00 177.39 175.81 2duo s VAL 143 N -3.29 2.05 0.86 4.08 1.01 -1.26 -5.12 120.40 118.73 2duo s VAL 143 Ca 0.60 -1.50 -0.12 0.00 0.00 0.00 0.00 61.98 60.96 2duo s VAL 143 Cb -0.28 -2.16 0.11 0.00 0.00 0.00 0.00 36.38 34.05 2duo s VAL 143 CO 0.74 0.01 1.12 -2.16 0.00 0.00 0.00 175.10 174.82 2duo s PRO 144 N 1.17 1.54 0.00 2.72 0.04 -1.26 -1.68 135.00 137.52 2duo s PRO 144 Ca -0.07 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.37 2duo s PRO 144 Cb -0.19 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2duo s PRO 144 CO -0.06 -1.95 0.00 0.41 0.04 0.00 0.00 177.00 175.45 2duo n GLY 145 N -2.24 -1.00 0.04 0.56 0.00 -0.88 -3.60 105.19 98.07 2duo n GLY 145 Ca 0.07 -0.88 0.14 0.00 0.00 0.00 0.00 46.02 45.35 2duo n GLY 145 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2duo n PRO 146 N 0.00 0.41 -3.13 1.61 -0.04 -1.10 -2.60 135.00 130.15 2duo n PRO 146 Ca 0.00 -0.08 -0.45 0.00 -0.04 0.00 0.00 63.50 62.93 2duo n PRO 146 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 2duo n PRO 146 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2duo s VAL 147 N -2.64 5.26 -1.61 0.52 1.01 0.05 -4.43 120.40 118.56 2duo s VAL 147 Ca 0.25 -2.27 -0.13 0.00 0.00 0.00 0.00 61.98 59.83 2duo s VAL 147 Cb 0.20 -4.66 0.11 0.00 0.00 0.00 0.00 36.38 32.03 2duo s VAL 147 CO 0.49 -1.30 0.69 0.49 0.00 0.00 0.00 175.10 175.47 2duo n PHE 148 N 5.00 -1.76 -0.02 5.22 3.72 -1.26 -1.65 117.46 126.72 2duo n PHE 148 Ca 0.22 0.79 0.00 0.00 -0.05 0.00 0.00 57.45 58.41 2duo n PHE 148 Cb 0.46 -3.24 0.00 0.00 -0.94 0.00 0.00 39.48 35.76 2duo n PHE 148 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2duo n GLY 149 N -1.61 0.86 3.57 1.37 0.00 -1.18 -1.54 105.19 106.66 2duo n GLY 149 Ca -0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 2duo n GLY 149 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2duo s SER 150 N -2.61 3.80 0.56 1.61 0.15 -0.66 -2.07 113.70 114.49 2duo s SER 150 Ca 0.00 -1.21 -0.21 0.00 0.70 0.00 0.00 55.95 55.24 2duo s SER 150 Cb 0.00 -0.37 -0.04 0.00 -1.71 0.00 0.00 66.02 63.89 2duo s SER 150 CO 0.00 -0.25 1.29 -1.59 1.20 0.00 0.00 173.24 173.89 2duo s LYS 151 N -3.64 3.07 0.86 5.44 -2.85 -0.68 -0.77 119.74 121.18 2duo s LYS 151 Ca 0.33 2.06 -0.12 0.00 -1.00 0.00 0.00 55.97 57.24 2duo s LYS 151 Cb 0.03 -2.13 0.14 0.00 -2.06 0.00 0.00 37.83 33.82 2duo s LYS 151 CO 0.17 -1.19 1.21 0.34 0.10 0.00 0.00 175.35 175.98 2duo s ASP 152 N -1.22 3.82 -1.46 0.03 -1.08 -1.26 -4.43 116.67 111.08 2duo s ASP 152 Ca 0.74 0.37 -0.09 0.00 -0.52 0.00 0.00 52.55 53.05 2duo s ASP 152 Cb -0.36 -0.64 0.04 0.00 -1.46 0.00 0.00 42.92 40.49 2duo s ASP 152 CO 0.42 -2.28 0.83 0.59 0.52 0.00 0.00 175.17 175.24 2duo n ASN 153 N -3.45 -5.53 -4.85 -0.34 4.13 -1.23 -4.92 115.26 99.07 2duo n ASN 153 Ca 0.12 -0.48 -0.31 0.00 1.68 0.00 0.00 54.58 55.59 2duo n ASN 153 Cb 0.60 -4.43 0.03 0.00 -1.54 0.00 0.00 39.78 34.44 2duo n ASN 153 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 2duo s PHE 154 N -3.20 3.40 -0.27 3.10 -0.12 -1.26 -4.42 117.98 115.20 2duo s PHE 154 Ca 0.48 1.34 -0.06 0.00 -0.05 0.00 0.00 56.93 58.64 2duo s PHE 154 Cb -0.23 -2.80 0.00 0.00 -0.63 0.00 0.00 43.02 39.37 2duo s PHE 154 CO 0.59 -0.94 0.05 -1.01 -0.05 0.00 0.00 175.22 173.86 2duo s HIS 155 N -3.13 3.10 -1.94 3.49 3.76 -1.26 -2.07 115.29 117.24 2duo s HIS 155 Ca 0.56 -0.92 0.00 0.00 -0.15 0.00 0.00 55.06 54.55 2duo s HIS 155 Cb -0.12 -2.21 0.00 0.00 1.11 0.00 0.00 32.58 31.36 2duo s HIS 155 CO 0.54 -0.55 0.00 0.41 -0.85 0.00 0.00 174.74 174.30 2duo n GLY 156 N 4.85 0.44 3.67 -2.22 0.00 0.62 -0.78 105.19 111.77 2duo n GLY 156 Ca -0.16 -1.84 -0.35 0.00 0.00 0.00 0.00 46.02 43.68 2duo n GLY 156 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2duo s LEU 157 N 0.00 3.75 -0.04 0.99 2.96 0.00 -1.00 118.68 125.34 2duo s LEU 157 Ca 0.00 0.14 0.06 0.00 -0.22 0.00 0.00 54.13 54.11 2duo s LEU 157 Cb 0.00 -1.90 -0.01 0.00 0.50 0.00 0.00 46.19 44.77 2duo s LEU 157 CO 0.00 0.28 -0.24 0.00 -1.32 0.00 0.00 176.35 175.07 2duo s ALA 158 N -0.29 2.03 -0.23 5.97 0.00 -0.14 -1.13 121.76 127.98 2duo s ALA 158 Ca 0.08 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.04 2duo s ALA 158 Cb -0.12 -0.59 0.03 0.00 0.00 0.00 0.00 23.12 22.44 2duo s ALA 158 CO 0.02 0.43 -0.12 0.42 0.00 0.00 0.00 175.76 176.50 2duo s ILE 159 N -0.28 2.42 -0.22 0.00 1.09 0.18 -1.54 121.20 122.84 2duo s ILE 159 Ca 0.01 -1.14 -0.12 0.00 -1.10 0.00 0.00 60.65 58.30 2duo s ILE 159 Cb -0.12 -2.20 -0.05 0.00 -1.06 0.00 0.00 42.46 39.03 2duo s ILE 159 CO 0.02 0.27 0.21 -0.36 -0.10 0.00 0.00 174.94 174.97 2duo s PHE 160 N 1.26 3.35 -0.86 3.97 0.08 0.12 -0.56 117.98 125.34 2duo s PHE 160 Ca -0.00 0.34 -0.06 0.00 0.12 0.00 0.00 56.93 57.33 2duo s PHE 160 Cb -0.16 -2.30 0.22 0.00 -0.57 0.00 0.00 43.02 40.21 2duo s PHE 160 CO -0.08 0.10 0.76 -0.51 -0.10 0.00 0.00 175.22 175.40 2duo s LEU 161 N 0.94 5.88 -0.26 -0.37 1.02 0.13 -1.40 118.68 124.62 2duo s LEU 161 Ca 0.10 -3.29 -0.16 0.00 0.02 0.00 0.00 54.13 50.81 2duo s LEU 161 Cb -0.13 -2.02 -0.03 0.00 0.02 0.00 0.00 46.19 44.03 2duo s LEU 161 CO 0.04 -0.33 0.42 -0.62 0.02 0.00 0.00 176.35 175.88 2duo s ASP 162 N 0.81 6.33 0.00 2.29 3.68 -0.64 -1.24 116.67 127.90 2duo s ASP 162 Ca 0.24 0.39 0.18 0.00 2.13 0.00 0.00 52.55 55.49 2duo s ASP 162 Cb -0.11 -2.23 -0.14 0.00 -1.45 0.00 0.00 42.92 38.98 2duo s ASP 162 CO -0.09 -0.20 0.81 0.35 0.13 0.00 0.00 175.17 176.17 2duo n THR 163 N 5.01 0.00 -4.09 1.71 -2.24 -1.01 -0.55 114.28 113.11 2duo n THR 163 Ca -0.07 -0.15 -0.25 0.00 -2.27 0.00 0.00 64.05 61.31 2duo n THR 163 Cb 0.50 1.06 -0.17 0.00 -2.10 0.00 0.00 70.33 69.63 2duo n THR 163 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2duo s TYR 164 N -2.51 1.27 -0.49 4.78 5.04 -1.25 -4.61 117.35 119.58 2duo s TYR 164 Ca 0.09 -0.54 -0.28 0.00 -2.44 0.00 0.00 57.07 53.90 2duo s TYR 164 Cb 0.14 -1.06 -0.01 0.00 0.35 0.00 0.00 41.96 41.38 2duo s TYR 164 CO 0.65 -0.39 1.73 -1.25 -1.34 0.00 0.00 175.55 174.95 2duo s PRO 165 N 1.38 3.06 0.32 4.97 0.04 -1.26 -4.83 135.00 138.69 2duo s PRO 165 Ca -0.02 0.90 0.13 0.00 0.04 0.00 0.00 61.00 62.06 2duo s PRO 165 Cb -0.14 -4.25 0.52 0.00 0.04 0.00 0.00 34.50 30.68 2duo s PRO 165 CO -0.04 -2.20 1.68 -0.91 0.04 0.00 0.00 177.00 175.58 2duo h ASN 166 N 13.24 0.00 -3.56 6.66 4.21 -1.87 -3.40 115.58 130.85 2duo h ASN 166 Ca -0.29 0.00 -0.70 0.00 1.21 0.00 0.00 56.30 56.52 2duo h ASN 166 Cb 1.15 0.00 -0.32 0.00 -1.12 0.00 0.00 38.32 38.03 2duo h ASN 166 CO 1.13 0.50 -0.57 -0.62 -1.29 0.00 0.00 177.43 176.59 2duo s ASP 167 N -6.73 5.26 0.31 5.81 2.15 -1.24 -4.86 116.67 117.37 2duo s ASP 167 Ca -0.01 -1.65 0.26 0.00 0.43 0.00 0.00 52.55 51.58 2duo s ASP 167 Cb 0.12 -1.84 0.81 0.00 -0.30 0.00 0.00 42.92 41.71 2duo s ASP 167 CO 0.73 -0.45 1.75 -0.33 -0.17 0.00 0.00 175.17 176.70 2duo h GLU 168 N 8.13 0.00 -0.07 4.34 3.07 -1.90 -3.35 114.58 124.79 2duo h GLU 168 Ca -0.18 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.68 2duo h GLU 168 Cb 1.06 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.97 2duo h GLU 168 CO 0.66 0.00 0.00 0.25 -1.40 0.00 0.00 179.01 178.52 2duo n THR 169 N -2.54 0.09 -4.15 1.13 -2.24 -1.26 -4.86 114.28 100.46 2duo n THR 169 Ca 0.04 -0.19 -0.27 0.00 -2.27 0.00 0.00 64.05 61.36 2duo n THR 169 Cb 0.40 0.09 -0.04 0.00 -2.10 0.00 0.00 70.33 68.68 2duo n THR 169 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2duo s THR 170 N -1.91 1.76 -2.01 4.28 2.01 -1.26 -5.04 115.64 113.49 2duo s THR 170 Ca 0.33 -1.66 0.16 0.00 0.31 0.00 0.00 61.69 60.83 2duo s THR 170 Cb 0.17 -2.43 0.47 0.00 0.01 0.00 0.00 72.50 70.72 2duo s THR 170 CO 0.27 0.00 1.39 -0.62 -0.69 0.00 0.00 174.62 174.97 2duo n GLU 171 N -1.49 2.22 -1.86 4.92 1.02 -1.26 -4.96 120.64 119.24 2duo n GLU 171 Ca -0.05 -1.90 -0.42 0.00 -0.02 0.00 0.00 57.16 54.77 2duo n GLU 171 Cb 0.65 -1.41 -0.03 0.00 -0.02 0.00 0.00 31.44 30.63 2duo n GLU 171 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2duo s ARG 172 N -1.30 4.18 -0.15 3.49 3.52 -1.26 -5.00 118.95 122.43 2duo s ARG 172 Ca 0.35 2.46 -0.12 0.00 -0.13 0.00 0.00 55.73 58.29 2duo s ARG 172 Cb 0.18 -3.11 -0.05 0.00 -1.56 0.00 0.00 34.95 30.41 2duo s ARG 172 CO 0.24 -0.65 0.25 0.08 -0.81 0.00 0.00 175.30 174.41 2duo s VAL 173 N 1.01 5.33 0.24 7.11 1.01 -1.26 -5.07 120.40 128.77 2duo s VAL 173 Ca 0.71 0.45 0.08 0.00 0.00 0.00 0.00 61.98 63.21 2duo s VAL 173 Cb -0.46 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 2duo s VAL 173 CO 0.33 0.45 0.10 -0.36 0.00 0.00 0.00 175.10 175.62 2duo s PHE 174 N 0.08 2.94 0.61 5.22 0.40 -1.26 -4.22 117.98 121.76 2duo s PHE 174 Ca 0.15 -0.14 -0.19 0.00 -0.60 0.00 0.00 56.93 56.15 2duo s PHE 174 Cb -0.13 -1.34 -0.03 0.00 0.51 0.00 0.00 43.02 42.03 2duo s PHE 174 CO 0.04 0.55 1.23 -2.30 0.70 0.00 0.00 175.22 175.44 2duo n PRO 175 N -0.88 1.22 -4.60 0.24 -0.02 -1.25 -4.90 135.00 124.81 2duo n PRO 175 Ca -0.08 0.47 -0.28 0.00 -2.02 0.00 0.00 63.50 61.59 2duo n PRO 175 Cb 0.58 -2.46 -0.17 0.00 -0.02 0.00 0.00 33.50 31.43 2duo n PRO 175 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2duo s TYR 176 N -1.38 1.94 -0.26 6.00 5.04 0.29 -0.84 117.35 128.13 2duo s TYR 176 Ca 0.78 -0.86 -0.12 0.00 -2.44 0.00 0.00 57.07 54.43 2duo s TYR 176 Cb -0.40 -1.39 -0.05 0.00 0.35 0.00 0.00 41.96 40.48 2duo s TYR 176 CO 0.44 -0.42 0.25 0.42 -1.34 0.00 0.00 175.55 174.89 2duo s ILE 177 N 0.82 5.28 0.18 3.14 1.01 0.33 -1.62 121.20 130.34 2duo s ILE 177 Ca -0.10 0.31 0.04 0.00 0.00 0.00 0.00 60.65 60.90 2duo s ILE 177 Cb -0.16 -3.58 -0.05 0.00 0.01 0.00 0.00 42.46 38.69 2duo s ILE 177 CO 0.01 0.25 -0.05 -0.94 0.00 0.00 0.00 174.94 174.21 2duo s SER 178 N 1.54 1.74 0.05 3.58 1.04 -0.49 -0.73 113.70 120.43 2duo s SER 178 Ca 0.10 -1.12 0.09 0.00 0.48 0.00 0.00 55.95 55.50 2duo s SER 178 Cb -0.15 0.01 -0.03 0.00 0.10 0.00 0.00 66.02 65.95 2duo s SER 178 CO 0.09 -0.43 -0.24 0.68 0.98 0.00 0.00 173.24 174.32 2duo s VAL 179 N -3.40 2.38 -0.03 5.02 -7.23 -0.68 -0.70 120.40 115.75 2duo s VAL 179 Ca 0.22 -1.36 0.00 0.00 -1.81 0.00 0.00 61.98 59.04 2duo s VAL 179 Cb 0.04 -1.97 0.03 0.00 0.56 0.00 0.00 36.38 35.04 2duo s VAL 179 CO 0.04 0.33 -0.00 -0.32 -0.31 0.00 0.00 175.10 174.83 2duo s MET 180 N -1.40 0.35 -0.12 4.82 0.00 -0.59 -1.02 119.30 121.34 2duo s MET 180 Ca 0.13 0.06 -0.02 0.00 0.00 0.00 0.00 55.69 55.86 2duo s MET 180 Cb -0.10 -0.52 -0.03 0.00 0.00 0.00 0.00 34.83 34.18 2duo s MET 180 CO 0.04 -0.13 -0.05 0.08 0.00 0.00 0.00 175.02 174.96 2duo s VAL 181 N 1.01 3.84 -0.01 10.11 1.01 -1.26 -0.96 120.40 134.14 2duo s VAL 181 Ca -0.10 -0.40 -0.00 0.00 0.00 0.00 0.00 61.98 61.48 2duo s VAL 181 Cb -0.14 -2.64 0.01 0.00 0.00 0.00 0.00 36.38 33.61 2duo s VAL 181 CO -0.02 0.54 0.01 0.21 0.00 0.00 0.00 175.10 175.84 2duo s ASN 182 N -0.11 0.02 -0.16 3.32 3.84 -0.17 -4.96 114.94 116.71 2duo s ASN 182 Ca 0.02 0.02 0.16 0.00 0.21 0.00 0.00 52.86 53.27 2duo s ASN 182 Cb -0.13 -0.01 0.54 0.00 -0.55 0.00 0.00 41.25 41.10 2duo s ASN 182 CO 0.03 -0.04 1.45 -0.46 -2.79 0.00 0.00 177.10 175.28 2duo n ASN 183 N 3.40 4.01 0.00 -4.21 6.94 -1.26 -0.28 115.26 123.87 2duo n ASN 183 Ca -0.17 -2.87 0.00 0.00 -0.02 0.00 0.00 54.58 51.52 2duo n ASN 183 Cb 0.57 -0.53 0.00 0.00 -2.36 0.00 0.00 39.78 37.47 2duo n ASN 183 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2duo n GLY 184 N -0.22 3.45 0.22 4.83 0.00 -0.88 -4.86 105.19 107.73 2duo n GLY 184 Ca 0.21 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.35 2duo n GLY 184 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2duo h SER 185 N 0.00 0.00 -2.95 1.61 4.64 -1.86 -3.43 113.55 111.56 2duo h SER 185 Ca 0.00 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.69 2duo h SER 185 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.01 2duo h SER 185 CO 0.00 0.00 -0.37 -0.76 -0.87 0.00 0.00 176.83 174.83 2duo s LEU 186 N -6.11 4.37 -0.13 5.97 1.43 -1.26 -5.07 118.68 117.88 2duo s LEU 186 Ca 0.07 0.59 -0.06 0.00 -1.03 0.00 0.00 54.13 53.70 2duo s LEU 186 Cb 0.06 -2.28 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 2duo s LEU 186 CO 0.66 0.30 0.09 -0.55 0.23 0.00 0.00 176.35 177.08 2duo s SER 187 N -0.58 5.99 -0.01 2.29 0.15 -1.26 -3.47 113.70 116.81 2duo s SER 187 Ca 0.17 0.32 -0.30 0.00 0.70 0.00 0.00 55.95 56.84 2duo s SER 187 Cb -0.13 -1.91 -0.03 0.00 -1.71 0.00 0.00 66.02 62.23 2duo s SER 187 CO 0.06 0.35 1.06 -0.47 1.20 0.00 0.00 173.24 175.44 2duo s TYR 188 N -0.67 3.53 -0.42 3.44 5.04 -1.26 -4.95 117.35 122.07 2duo s TYR 188 Ca 0.12 1.53 -0.10 0.00 -2.44 0.00 0.00 57.07 56.19 2duo s TYR 188 Cb -0.12 -3.24 0.07 0.00 0.35 0.00 0.00 41.96 39.03 2duo s TYR 188 CO 0.02 -0.50 0.27 0.34 -1.34 0.00 0.00 175.55 174.34 2duo s ASP 189 N 1.08 5.68 0.27 4.32 3.68 -1.26 -4.96 116.67 125.48 2duo s ASP 189 Ca 0.54 -1.45 -0.04 0.00 2.13 0.00 0.00 52.55 53.73 2duo s ASP 189 Cb -0.23 -2.01 0.34 0.00 -1.45 0.00 0.00 42.92 39.57 2duo s ASP 189 CO 0.26 -0.53 1.87 0.45 0.13 0.00 0.00 175.17 177.35 2duo h HIS 190 N 8.44 1.05 0.00 -5.34 3.86 -1.95 0.25 115.15 121.46 2duo h HIS 190 Ca -0.23 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 2duo h HIS 190 Cb 1.09 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 29.23 2duo h HIS 190 CO 0.61 0.76 0.00 0.66 0.86 0.00 0.00 177.93 180.82 2duo h SER 191 N 1.05 0.00 -0.09 2.45 4.64 -1.93 0.11 113.55 119.79 2duo h SER 191 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2duo h SER 191 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2duo h SER 191 CO -0.03 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.22 2duo n LYS 192 N -2.46 2.43 -3.77 4.77 4.76 -1.15 -3.70 118.16 119.04 2duo n LYS 192 Ca 0.00 -2.10 -0.29 0.00 -2.87 0.00 0.00 58.31 53.05 2duo n LYS 192 Cb 0.17 -1.31 -0.00 0.00 -1.84 0.00 0.00 35.03 32.05 2duo n LYS 192 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2duo n ASP 193 N -0.64 -3.93 -1.28 4.39 9.92 0.03 -1.33 116.55 123.71 2duo n ASP 193 Ca 0.10 -0.68 -0.17 0.00 -0.53 0.00 0.00 54.79 53.51 2duo n ASP 193 Cb 0.48 -3.21 -0.07 0.00 -0.64 0.00 0.00 41.12 37.69 2duo n ASP 193 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2duo n GLY 194 N -1.38 1.64 0.37 0.44 0.00 0.87 -4.90 105.19 102.24 2duo n GLY 194 Ca 0.03 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.03 2duo n GLY 194 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2duo h ARG 195 N 0.01 0.74 0.00 1.61 2.43 -1.45 -2.29 114.38 115.43 2duo h ARG 195 Ca -0.34 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 2duo h ARG 195 Cb 1.16 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 2duo h ARG 195 CO 0.50 0.49 -0.23 0.91 -1.51 0.00 0.00 179.97 180.12 2duo n TRP 196 N -4.59 0.03 0.60 2.20 7.02 -1.26 -3.70 117.44 117.74 2duo n TRP 196 Ca 0.18 0.01 0.06 0.00 -1.02 0.00 0.00 57.50 56.73 2duo n TRP 196 Cb 0.46 -0.40 -0.06 0.00 -2.42 0.00 0.00 31.31 28.89 2duo n TRP 196 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 2duo n THR 197 N -1.53 0.00 -2.10 -0.99 -2.24 -0.89 -4.99 114.28 101.54 2duo n THR 197 Ca 0.06 -0.23 -0.33 0.00 -2.27 0.00 0.00 64.05 61.28 2duo n THR 197 Cb 0.34 1.03 0.01 0.00 -2.10 0.00 0.00 70.33 69.61 2duo n THR 197 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2duo s GLU 198 N -2.09 3.37 -0.19 -0.78 -1.05 -1.02 -4.58 118.70 112.35 2duo s GLU 198 Ca 0.06 1.22 0.13 0.00 -0.15 0.00 0.00 54.97 56.24 2duo s GLU 198 Cb 0.10 -2.04 -0.21 0.00 -0.44 0.00 0.00 34.13 31.54 2duo s GLU 198 CO 0.48 -0.77 0.01 1.28 0.95 0.00 0.00 175.26 177.21 2duo n LEU 199 N -1.92 0.61 -3.57 1.83 4.77 -0.19 -5.00 117.00 113.53 2duo n LEU 199 Ca 0.09 -0.03 -0.06 0.00 -0.03 0.00 0.00 56.01 55.98 2duo n LEU 199 Cb 0.53 0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.78 2duo n LEU 199 CO 0.46 0.55 0.91 0.00 -1.33 0.00 0.00 177.39 177.98 2duo s ALA 200 N -2.45 -1.99 0.18 -1.18 0.00 -1.26 -5.03 121.76 110.03 2duo s ALA 200 Ca -0.14 1.48 -0.23 0.00 0.00 0.00 0.00 51.96 53.07 2duo s ALA 200 Cb 0.06 -0.20 0.07 0.00 0.00 0.00 0.00 23.12 23.04 2duo s ALA 200 CO 0.71 -0.54 0.97 0.20 0.00 0.00 0.00 175.76 177.10 2duo s GLY 201 N -1.99 -0.08 0.03 0.00 0.00 -1.26 -1.69 107.32 102.33 2duo s GLY 201 Ca 0.07 -0.10 -0.17 0.00 0.00 0.00 0.00 44.72 44.52 2duo s GLY 201 CO -0.05 0.69 0.38 0.00 0.00 0.00 0.00 173.10 174.11 2duo s THR 203 N -2.24 3.67 -0.15 0.00 2.01 -1.26 -0.51 115.64 117.16 2duo s THR 203 Ca -0.07 1.48 -0.07 0.00 0.31 0.00 0.00 61.69 63.34 2duo s THR 203 Cb -0.02 -3.86 0.06 0.00 0.01 0.00 0.00 72.50 68.69 2duo s THR 203 CO -0.01 0.20 0.33 0.00 -0.69 0.00 0.00 174.62 174.45 2duo s ALA 204 N -1.41 -0.82 -1.15 7.40 0.00 -0.02 -4.88 121.76 120.88 2duo s ALA 204 Ca 0.51 1.25 -0.14 0.00 0.00 0.00 0.00 51.96 53.58 2duo s ALA 204 Cb -0.26 -0.91 0.18 0.00 0.00 0.00 0.00 23.12 22.12 2duo s ALA 204 CO 0.33 -0.39 1.34 0.34 0.00 0.00 0.00 175.76 177.39 2duo s ASP 205 N 1.73 7.03 -0.00 0.00 2.15 -1.26 -3.89 116.67 122.43 2duo s ASP 205 Ca -0.06 -2.92 0.10 0.00 0.43 0.00 0.00 52.55 50.10 2duo s ASP 205 Cb -0.10 -2.38 -0.12 0.00 -0.30 0.00 0.00 42.92 40.02 2duo s ASP 205 CO -0.11 -0.74 0.37 2.22 -0.17 0.00 0.00 175.17 176.74 2duo n PHE 206 N 5.44 0.00 -2.63 -5.34 -1.74 -1.26 -4.95 117.46 106.98 2duo n PHE 206 Ca 0.33 0.00 -0.38 0.00 -0.56 0.00 0.00 57.45 56.84 2duo n PHE 206 Cb 0.43 -0.05 -0.05 0.00 1.52 0.00 0.00 39.48 41.33 2duo n PHE 206 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 2duo s ARG 207 N -2.09 4.44 -1.43 3.97 0.52 -1.26 -4.37 118.95 118.73 2duo s ARG 207 Ca 0.02 1.50 -0.05 0.00 -0.52 0.00 0.00 55.73 56.68 2duo s ARG 207 Cb 0.07 -2.79 0.03 0.00 0.52 0.00 0.00 34.95 32.78 2duo s ARG 207 CO 0.40 0.11 0.64 0.09 0.02 0.00 0.00 175.30 176.57 2duo n ASN 208 N 0.47 -1.70 -4.87 0.23 3.02 -0.67 -4.97 115.26 106.77 2duo n ASN 208 Ca 0.02 -0.91 -0.33 0.00 -0.03 0.00 0.00 54.58 53.33 2duo n ASN 208 Cb 0.49 -3.47 -0.05 0.00 -0.61 0.00 0.00 39.78 36.14 2duo n ASN 208 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2duo s ARG 209 N -6.44 3.78 -0.00 3.52 1.81 -1.26 -4.98 118.95 115.39 2duo s ARG 209 Ca 0.21 0.22 0.01 0.00 -1.72 0.00 0.00 55.73 54.44 2duo s ARG 209 Cb -0.11 -2.79 0.03 0.00 -0.45 0.00 0.00 34.95 31.64 2duo s ARG 209 CO 0.86 0.41 0.94 -0.25 -0.68 0.00 0.00 175.30 176.58 2duo n ASP 210 N 0.22 0.40 -3.85 0.23 8.00 -1.26 -4.83 116.55 115.47 2duo n ASP 210 Ca -0.02 -2.01 -0.08 0.00 0.71 0.00 0.00 54.79 53.39 2duo n ASP 210 Cb 0.52 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.48 2duo n ASP 210 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 2duo s HIS 211 N -1.78 -0.14 0.30 1.24 -3.43 -1.26 -5.15 115.29 105.07 2duo s HIS 211 Ca 0.03 -0.29 -0.30 0.00 -0.80 0.00 0.00 55.06 53.70 2duo s HIS 211 Cb 0.01 0.62 -0.13 0.00 -1.43 0.00 0.00 32.58 31.66 2duo s HIS 211 CO 0.02 -1.17 1.38 -0.25 -2.00 0.00 0.00 174.74 172.72 2duo n ASP 212 N -0.44 2.92 -4.29 7.38 8.00 -1.26 -5.00 116.55 123.86 2duo n ASP 212 Ca -0.05 1.18 -0.32 0.00 0.71 0.00 0.00 54.79 56.31 2duo n ASP 212 Cb 0.60 -1.48 -0.16 0.00 -0.02 0.00 0.00 41.12 40.06 2duo n ASP 212 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2duo s THR 213 N -0.55 2.26 0.14 -3.53 -4.23 -1.26 -4.64 115.64 103.82 2duo s THR 213 Ca 0.61 -0.98 0.06 0.00 -1.18 0.00 0.00 61.69 60.21 2duo s THR 213 Cb -0.59 -1.85 -0.04 0.00 1.34 0.00 0.00 72.50 71.36 2duo s THR 213 CO 0.56 0.56 -0.14 -0.36 -0.54 0.00 0.00 174.62 174.70 2duo s PHE 214 N -0.04 1.50 0.02 3.99 0.40 0.05 -2.22 117.98 121.68 2duo s PHE 214 Ca -0.07 -0.56 0.02 0.00 -0.60 0.00 0.00 56.93 55.72 2duo s PHE 214 Cb -0.15 -0.76 -0.02 0.00 0.51 0.00 0.00 43.02 42.61 2duo s PHE 214 CO 0.05 0.20 -0.07 -1.17 0.70 0.00 0.00 175.22 174.92 2duo s LEU 215 N -2.67 2.16 -0.05 -0.37 0.20 0.21 -0.98 118.68 117.18 2duo s LEU 215 Ca 0.13 -0.37 0.03 0.00 0.69 0.00 0.00 54.13 54.61 2duo s LEU 215 Cb -0.04 -0.22 0.00 0.00 -0.43 0.00 0.00 46.19 45.50 2duo s LEU 215 CO 0.04 -0.09 -0.15 0.00 -0.29 0.00 0.00 176.35 175.86 2duo s ALA 216 N -0.88 1.35 -0.19 5.97 0.00 -0.38 -0.37 121.76 127.26 2duo s ALA 216 Ca -0.05 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.35 2duo s ALA 216 Cb -0.07 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.58 2duo s ALA 216 CO 0.00 0.21 -0.17 0.08 0.00 0.00 0.00 175.76 175.89 2duo s VAL 217 N 0.22 2.28 -0.10 0.00 1.01 0.92 -1.50 120.40 123.23 2duo s VAL 217 Ca -0.06 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 60.98 2duo s VAL 217 Cb -0.12 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 2duo s VAL 217 CO 0.02 0.47 -0.11 -0.60 0.00 0.00 0.00 175.10 174.88 2duo s ARG 218 N 1.30 3.08 -0.04 2.72 3.52 0.72 -0.05 118.95 130.22 2duo s ARG 218 Ca 0.04 -0.64 -0.02 0.00 -0.13 0.00 0.00 55.73 54.99 2duo s ARG 218 Cb -0.14 -2.60 0.03 0.00 -1.56 0.00 0.00 34.95 30.68 2duo s ARG 218 CO -0.11 0.41 0.06 -0.47 -0.81 0.00 0.00 175.30 174.38 2duo s TYR 219 N -0.15 0.05 -0.28 5.12 5.04 0.43 -1.25 117.35 126.31 2duo s TYR 219 Ca 0.00 0.25 -0.22 0.00 -2.44 0.00 0.00 57.07 54.66 2duo s TYR 219 Cb -0.13 -0.43 0.11 0.00 0.35 0.00 0.00 41.96 41.86 2duo s TYR 219 CO 0.03 -0.18 0.92 0.45 -1.34 0.00 0.00 175.55 175.43 2duo s SER 220 N 2.00 -0.58 -1.40 4.32 0.15 -0.99 -1.01 113.70 116.18 2duo s SER 220 Ca 0.03 1.04 -0.10 0.00 0.70 0.00 0.00 55.95 57.62 2duo s SER 220 Cb -0.12 1.12 0.01 0.00 -1.71 0.00 0.00 66.02 65.32 2duo s SER 220 CO -0.03 -0.17 0.19 0.54 1.20 0.00 0.00 173.24 174.96 2duo n ARG 221 N 2.89 -0.73 -0.85 5.44 1.74 -1.26 -0.89 116.66 123.00 2duo n ARG 221 Ca -0.15 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 2duo n ARG 221 Cb 0.56 -3.11 0.00 0.00 -1.02 0.00 0.00 32.46 28.89 2duo n ARG 221 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2duo n GLY 222 N -2.40 0.85 3.65 -0.13 0.00 -1.26 -4.86 105.19 101.05 2duo n GLY 222 Ca -0.26 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 2duo n GLY 222 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2duo s ARG 223 N -0.21 4.06 -0.21 1.61 3.52 -0.07 -0.16 118.95 127.50 2duo s ARG 223 Ca 0.00 -0.26 -0.03 0.00 -0.13 0.00 0.00 55.73 55.31 2duo s ARG 223 Cb 0.00 -3.56 -0.01 0.00 -1.56 0.00 0.00 34.95 29.82 2duo s ARG 223 CO 0.00 0.02 -0.05 -1.17 -0.81 0.00 0.00 175.30 173.29 2duo s LEU 224 N 1.16 2.89 -0.11 -0.88 2.96 -0.40 -2.36 118.68 121.94 2duo s LEU 224 Ca 0.08 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.64 2duo s LEU 224 Cb -0.14 -1.72 0.01 0.00 0.50 0.00 0.00 46.19 44.84 2duo s LEU 224 CO 0.05 0.01 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.03 2duo s THR 225 N 1.29 1.65 -0.17 3.68 2.01 -0.38 -1.40 115.64 122.32 2duo s THR 225 Ca 0.03 -0.74 -0.02 0.00 0.31 0.00 0.00 61.69 61.27 2duo s THR 225 Cb -0.14 -1.49 -0.02 0.00 0.01 0.00 0.00 72.50 70.86 2duo s THR 225 CO -0.02 0.47 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.61 2duo s VAL 226 N 0.87 3.37 0.22 3.82 1.01 0.39 -0.20 120.40 129.89 2duo s VAL 226 Ca -0.08 -0.53 0.06 0.00 0.00 0.00 0.00 61.98 61.43 2duo s VAL 226 Cb -0.15 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 2duo s VAL 226 CO -0.00 0.48 -0.09 -0.04 0.00 0.00 0.00 175.10 175.44 2duo s MET 227 N 0.75 1.34 0.18 2.72 -1.94 -0.56 -0.92 119.30 120.87 2duo s MET 227 Ca -0.03 -1.63 0.09 0.00 -1.71 0.00 0.00 55.69 52.41 2duo s MET 227 Cb -0.15 -0.96 -0.04 0.00 2.01 0.00 0.00 34.83 35.69 2duo s MET 227 CO 0.02 0.08 -0.19 0.95 -0.01 0.00 0.00 175.02 175.87 2duo s THR 228 N -3.12 1.97 -0.33 2.05 -4.23 -0.46 -1.24 115.64 110.28 2duo s THR 228 Ca 0.24 -2.01 -0.01 0.00 -1.18 0.00 0.00 61.69 58.73 2duo s THR 228 Cb 0.02 -1.96 0.13 0.00 1.34 0.00 0.00 72.50 72.03 2duo s THR 228 CO 0.07 -0.31 0.19 -0.62 -0.54 0.00 0.00 174.62 173.41 2duo s ASP 229 N -2.81 3.07 0.00 3.99 -1.08 -0.15 -0.13 116.67 119.56 2duo s ASP 229 Ca 0.19 -1.81 0.00 0.00 -0.52 0.00 0.00 52.55 50.40 2duo s ASP 229 Cb -0.06 -0.32 0.00 0.00 -1.46 0.00 0.00 42.92 41.08 2duo s ASP 229 CO 0.08 -0.36 0.22 0.18 0.52 0.00 0.00 175.17 175.82 2duo n LEU 230 N 4.51 0.45 -0.52 -1.34 4.77 -1.26 -0.77 117.00 122.84 2duo n LEU 230 Ca 0.05 -0.56 0.08 0.00 -0.03 0.00 0.00 56.01 55.55 2duo n LEU 230 Cb 0.39 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.67 2duo n LEU 230 CO 0.10 0.11 0.64 -0.62 -1.33 0.00 0.00 177.39 176.29 2duo n GLU 231 N -0.24 2.37 -2.07 3.23 -0.58 -1.26 -4.92 120.64 117.18 2duo n GLU 231 Ca 0.00 -2.56 -0.19 0.00 -0.42 0.00 0.00 57.16 53.99 2duo n GLU 231 Cb 0.05 -1.60 -0.04 0.00 -0.57 0.00 0.00 31.44 29.28 2duo n GLU 231 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2duo n ASP 232 N -0.71 -5.29 -1.29 1.62 2.03 -1.26 -4.85 116.55 106.79 2duo n ASP 232 Ca 0.17 0.20 0.12 0.00 0.52 0.00 0.00 54.79 55.80 2duo n ASP 232 Cb 0.71 -4.53 0.30 0.00 -0.72 0.00 0.00 41.12 36.87 2duo n ASP 232 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2duo n LYS 233 N -2.69 2.68 -4.16 -0.67 5.02 -1.26 -4.96 118.16 112.12 2duo n LYS 233 Ca -0.21 -2.57 -0.33 0.00 -2.02 0.00 0.00 58.31 53.18 2duo n LYS 233 Cb 0.65 -1.55 -0.03 0.00 -0.02 0.00 0.00 35.03 34.08 2duo n LYS 233 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2duo n ASN 234 N 1.59 -1.95 -3.71 4.39 3.02 -1.26 -4.95 115.26 112.38 2duo n ASN 234 Ca 0.23 -1.04 -0.13 0.00 -0.03 0.00 0.00 54.58 53.61 2duo n ASN 234 Cb 0.61 -2.72 -0.08 0.00 -0.61 0.00 0.00 39.78 36.98 2duo n ASN 234 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2duo s GLU 235 N -6.86 0.80 0.07 3.52 -1.05 -1.26 -5.16 118.70 108.76 2duo s GLU 235 Ca 0.45 -0.23 -0.24 0.00 -0.15 0.00 0.00 54.97 54.79 2duo s GLU 235 Cb -0.24 0.36 -0.06 0.00 -0.44 0.00 0.00 34.13 33.74 2duo s GLU 235 CO 0.92 -0.24 0.75 -1.58 0.95 0.00 0.00 175.26 176.06 2duo s TRP 236 N -1.78 3.77 -0.09 4.83 0.23 -1.26 -4.38 118.94 120.27 2duo s TRP 236 Ca -0.10 1.48 0.03 0.00 -2.03 0.00 0.00 56.10 55.48 2duo s TRP 236 Cb -0.03 -2.78 -0.02 0.00 0.03 0.00 0.00 33.47 30.67 2duo s TRP 236 CO 0.02 0.35 -0.16 0.21 0.96 0.00 0.00 176.95 178.32 2duo s LYS 237 N -0.35 2.90 0.22 4.98 2.20 0.82 -4.91 119.74 125.60 2duo s LYS 237 Ca 0.37 -0.74 -0.29 0.00 -0.36 0.00 0.00 55.97 54.94 2duo s LYS 237 Cb -0.21 -2.44 -0.16 0.00 -1.51 0.00 0.00 37.83 33.52 2duo s LYS 237 CO 0.23 0.39 0.88 0.09 -0.36 0.00 0.00 175.35 176.58 2duo n ASN 238 N 2.98 0.41 0.08 1.43 5.03 -1.26 -1.36 115.26 122.58 2duo n ASN 238 Ca -0.18 1.16 0.00 0.00 0.87 0.00 0.00 54.58 56.43 2duo n ASN 238 Cb 0.52 -1.15 0.00 0.00 -1.02 0.00 0.00 39.78 38.14 2duo n ASN 238 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2duo s ILE 240 N -1.59 0.74 -0.33 0.00 1.01 -0.10 -4.45 121.20 116.49 2duo s ILE 240 Ca 0.00 -0.36 0.05 0.00 0.00 0.00 0.00 60.65 60.34 2duo s ILE 240 Cb 0.00 -0.65 0.18 0.00 0.01 0.00 0.00 42.46 42.00 2duo s ILE 240 CO 0.00 0.23 0.54 -0.62 0.00 0.00 0.00 174.94 175.08 2duo s ASP 241 N 0.03 -0.89 0.26 3.58 3.68 -1.25 -0.46 116.67 121.63 2duo s ASP 241 Ca -0.00 -0.36 0.11 0.00 2.13 0.00 0.00 52.55 54.43 2duo s ASP 241 Cb -0.06 1.67 -0.05 0.00 -1.45 0.00 0.00 42.92 43.03 2duo s ASP 241 CO 0.00 -0.28 -0.19 0.27 0.13 0.00 0.00 175.17 175.11 2duo s ILE 242 N 2.38 2.34 0.40 4.11 -4.36 -0.49 -5.00 121.20 120.58 2duo s ILE 242 Ca 0.12 -2.37 0.07 0.00 -0.26 0.00 0.00 60.65 58.22 2duo s ILE 242 Cb -0.09 -2.25 -0.07 0.00 1.25 0.00 0.00 42.46 41.30 2duo s ILE 242 CO -0.20 -0.44 0.04 0.42 0.24 0.00 0.00 174.94 175.00 2duo s THR 243 N -2.59 2.13 -0.78 8.37 -4.23 -1.26 -1.28 115.64 116.00 2duo s THR 243 Ca 0.28 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.85 2duo s THR 243 Cb -0.04 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 70.84 2duo s THR 243 CO 0.13 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 2duo n GLY 244 N -1.01 0.33 3.64 3.99 0.00 -0.55 -4.68 105.19 106.92 2duo n GLY 244 Ca -0.04 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 2duo n GLY 244 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2duo s VAL 245 N -2.39 5.00 -0.22 1.61 1.01 0.78 -2.00 120.40 124.20 2duo s VAL 245 Ca 0.00 1.13 -0.04 0.00 0.00 0.00 0.00 61.98 63.08 2duo s VAL 245 Cb 0.00 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 2duo s VAL 245 CO 0.00 0.06 -0.04 -0.13 0.00 0.00 0.00 175.10 174.99 2duo s ARG 246 N 2.25 3.38 -0.03 2.72 0.52 0.92 -4.08 118.95 124.63 2duo s ARG 246 Ca 0.27 -0.62 0.01 0.00 -0.52 0.00 0.00 55.73 54.86 2duo s ARG 246 Cb -0.16 -3.01 0.02 0.00 0.52 0.00 0.00 34.95 32.33 2duo s ARG 246 CO 0.09 -0.19 -0.03 -0.51 0.02 0.00 0.00 175.30 174.69 2duo s LEU 247 N 1.46 1.34 0.87 2.53 1.02 -1.26 -1.15 118.68 123.49 2duo s LEU 247 Ca 0.06 -0.08 -0.12 0.00 0.02 0.00 0.00 54.13 54.01 2duo s LEU 247 Cb -0.14 -0.32 0.11 0.00 0.02 0.00 0.00 46.19 45.86 2duo s LEU 247 CO -0.03 -0.06 1.11 -2.16 0.02 0.00 0.00 176.35 175.22 2duo s PRO 248 N 0.83 1.51 0.75 1.29 0.04 -1.25 -4.96 135.00 133.22 2duo s PRO 248 Ca -0.10 0.58 -0.10 0.00 0.04 0.00 0.00 61.00 61.42 2duo s PRO 248 Cb -0.13 -1.86 0.06 0.00 0.04 0.00 0.00 34.50 32.61 2duo s PRO 248 CO -0.01 -2.00 1.10 0.95 0.04 0.00 0.00 177.00 177.08 2duo s THR 249 N -3.12 2.41 0.00 1.26 -4.23 -0.27 -4.50 115.64 107.20 2duo s THR 249 Ca 0.62 -0.01 0.00 0.00 -1.18 0.00 0.00 61.69 61.13 2duo s THR 249 Cb -0.16 -3.10 0.00 0.00 1.34 0.00 0.00 72.50 70.58 2duo s THR 249 CO 0.55 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 175.11 2duo n GLY 250 N -3.11 0.54 3.96 3.99 0.00 0.17 -4.45 105.19 106.30 2duo n GLY 250 Ca 0.08 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 2duo n GLY 250 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2duo s TYR 251 N -2.00 2.73 -0.10 1.61 1.51 -1.23 -4.61 117.35 115.26 2duo s TYR 251 Ca 0.00 0.14 -0.02 0.00 -1.01 0.00 0.00 57.07 56.17 2duo s TYR 251 Cb 0.00 -2.97 -0.03 0.00 -0.11 0.00 0.00 41.96 38.85 2duo s TYR 251 CO 0.00 -1.19 -0.01 0.71 -1.11 0.00 0.00 175.55 173.95 2duo s TYR 252 N -3.00 3.11 0.28 2.71 1.51 0.39 -0.30 117.35 122.04 2duo s TYR 252 Ca 0.60 0.07 -0.28 0.00 -1.01 0.00 0.00 57.07 56.44 2duo s TYR 252 Cb -0.10 -1.83 -0.09 0.00 -0.11 0.00 0.00 41.96 39.82 2duo s TYR 252 CO 0.42 0.33 0.97 -0.06 -1.11 0.00 0.00 175.55 176.10 2duo s PHE 253 N -0.54 3.80 0.28 2.71 0.08 -1.26 -1.74 117.98 121.31 2duo s PHE 253 Ca 0.09 1.83 -0.09 0.00 0.12 0.00 0.00 56.93 58.88 2duo s PHE 253 Cb -0.12 -3.02 -0.00 0.00 -0.57 0.00 0.00 43.02 39.31 2duo s PHE 253 CO 0.02 0.17 0.46 0.20 -0.10 0.00 0.00 175.22 175.98 2duo s GLY 254 N -1.28 0.91 -0.02 4.36 0.00 -0.64 -0.89 107.32 109.75 2duo s GLY 254 Ca 0.45 -1.15 -0.06 0.00 0.00 0.00 0.00 44.72 43.96 2duo s GLY 254 CO 0.31 -0.80 0.15 0.00 0.00 0.00 0.00 173.10 172.76 2duo s ALA 255 N -3.64 -0.35 0.17 3.20 0.00 -0.15 -1.39 121.76 119.60 2duo s ALA 255 Ca 0.26 0.12 -0.12 0.00 0.00 0.00 0.00 51.96 52.22 2duo s ALA 255 Cb -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.07 2duo s ALA 255 CO 0.13 -0.15 0.35 -1.54 0.00 0.00 0.00 175.76 174.55 2duo s SER 256 N -0.74 -0.05 0.07 0.00 1.04 0.01 -0.57 113.70 113.47 2duo s SER 256 Ca -0.08 -0.74 -0.16 0.00 0.48 0.00 0.00 55.95 55.45 2duo s SER 256 Cb -0.05 0.47 0.03 0.00 0.10 0.00 0.00 66.02 66.58 2duo s SER 256 CO 0.01 -0.93 0.37 0.00 0.98 0.00 0.00 173.24 173.66 2duo s ALA 257 N -3.93 -0.85 0.03 5.32 0.00 -0.51 -0.15 121.76 121.66 2duo s ALA 257 Ca 0.14 0.07 -0.00 0.00 0.00 0.00 0.00 51.96 52.16 2duo s ALA 257 Cb 0.02 0.45 -0.03 0.00 0.00 0.00 0.00 23.12 23.57 2duo s ALA 257 CO -0.01 -0.51 -0.03 0.20 0.00 0.00 0.00 175.76 175.41 2duo s GLY 258 N -2.32 0.34 0.18 0.00 0.00 -1.13 -1.94 107.32 102.45 2duo s GLY 258 Ca -0.02 -0.86 0.07 0.00 0.00 0.00 0.00 44.72 43.91 2duo s GLY 258 CO -0.06 -0.95 -0.15 -0.51 0.00 0.00 0.00 173.10 171.43 2duo s THR 259 N -2.53 1.66 0.00 0.90 -4.23 -0.07 -0.30 115.64 111.07 2duo s THR 259 Ca -0.06 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.40 2duo s THR 259 Cb -0.02 -1.90 0.00 0.00 1.34 0.00 0.00 72.50 71.92 2duo s THR 259 CO -0.05 -0.51 0.00 0.61 -0.54 0.00 0.00 174.62 174.14 2duo n GLY 260 N -0.06 2.73 0.26 3.99 0.00 -1.26 -3.05 105.19 107.80 2duo n GLY 260 Ca -0.11 -0.19 0.15 0.00 0.00 0.00 0.00 46.02 45.88 2duo n GLY 260 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2duo h ASP 261 N 0.00 0.00 -2.97 1.61 3.32 -1.97 -1.14 116.42 115.28 2duo h ASP 261 Ca 0.00 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 2duo h ASP 261 Cb 0.00 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.44 2duo h ASP 261 CO 0.00 0.05 -0.66 -0.76 -1.72 0.00 0.00 179.24 176.15 2duo s LEU 262 N -6.32 3.33 0.28 1.55 1.43 -1.26 -4.91 118.68 112.78 2duo s LEU 262 Ca 0.01 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 52.77 2duo s LEU 262 Cb 0.09 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 2duo s LEU 262 CO 0.57 0.10 0.27 -0.94 0.23 0.00 0.00 176.35 176.59 2duo s SER 263 N -2.83 0.93 -0.08 2.29 1.04 -1.22 -4.08 113.70 109.74 2duo s SER 263 Ca 0.27 -1.54 -0.31 0.00 0.48 0.00 0.00 55.95 54.85 2duo s SER 263 Cb -0.10 0.52 0.12 0.00 0.10 0.00 0.00 66.02 66.66 2duo s SER 263 CO 0.18 -1.03 1.01 -1.81 0.98 0.00 0.00 173.24 172.57 2duo s ASP 264 N -3.26 -0.29 0.08 7.02 1.01 -1.05 -2.41 116.67 117.77 2duo s ASP 264 Ca 0.37 0.05 -0.31 0.00 0.71 0.00 0.00 52.55 53.38 2duo s ASP 264 Cb 0.03 0.30 -0.06 0.00 1.01 0.00 0.00 42.92 44.20 2duo s ASP 264 CO 0.20 -0.46 1.28 0.20 0.21 0.00 0.00 175.17 176.60 2duo s ASN 265 N -2.20 6.98 -0.32 0.27 0.01 0.31 -3.79 114.94 116.21 2duo s ASN 265 Ca 0.06 2.13 0.01 0.00 -0.71 0.00 0.00 52.86 54.35 2duo s ASN 265 Cb -0.01 -2.58 0.08 0.00 0.41 0.00 0.00 41.25 39.15 2duo s ASN 265 CO -0.06 -0.55 0.01 -1.00 -1.51 0.00 0.00 177.10 173.99 2duo s HIS 266 N 1.16 3.48 -0.05 2.20 3.76 -0.88 -2.16 115.29 122.79 2duo s HIS 266 Ca 0.61 -2.46 0.00 0.00 -0.15 0.00 0.00 55.06 53.06 2duo s HIS 266 Cb -0.32 -2.49 -0.03 0.00 1.11 0.00 0.00 32.58 30.85 2duo s HIS 266 CO 0.29 -0.90 -0.03 -0.51 -0.85 0.00 0.00 174.74 172.74 2duo s ASP 267 N 1.18 4.96 -0.25 1.40 1.01 0.65 -0.79 116.67 124.83 2duo s ASP 267 Ca 0.01 0.03 -0.05 0.00 0.71 0.00 0.00 52.55 53.25 2duo s ASP 267 Cb -0.20 -1.30 -0.00 0.00 1.01 0.00 0.00 42.92 42.42 2duo s ASP 267 CO -0.05 0.34 -0.00 -0.63 0.21 0.00 0.00 175.17 175.04 2duo s ILE 268 N -0.91 3.56 -0.10 0.77 -1.09 0.46 -0.99 121.20 122.90 2duo s ILE 268 Ca 0.15 -0.58 -0.12 0.00 -2.23 0.00 0.00 60.65 57.87 2duo s ILE 268 Cb -0.11 -2.71 -0.27 0.00 -1.58 0.00 0.00 42.46 37.79 2duo s ILE 268 CO 0.04 0.30 0.50 0.40 -1.23 0.00 0.00 174.94 174.95 2duo h ILE 269 N 5.79 0.87 -2.52 2.92 5.03 -0.58 -0.29 117.51 128.72 2duo h ILE 269 Ca -0.37 -2.40 -0.06 0.00 -0.12 0.00 0.00 64.86 61.91 2duo h ILE 269 Cb 1.15 2.63 -0.17 0.00 -3.03 0.00 0.00 36.82 37.39 2duo h ILE 269 CO 0.60 0.78 0.09 -0.94 -0.68 0.00 0.00 178.15 178.00 2duo s SER 270 N -7.10 -0.52 -0.14 1.72 1.04 -0.86 -4.28 113.70 103.56 2duo s SER 270 Ca -0.20 0.36 -0.00 0.00 0.48 0.00 0.00 55.95 56.58 2duo s SER 270 Cb 0.05 0.51 0.03 0.00 0.10 0.00 0.00 66.02 66.71 2duo s SER 270 CO 0.78 -0.69 -0.09 -0.04 0.98 0.00 0.00 173.24 174.18 2duo s MET 271 N -2.03 1.78 -0.20 4.02 -1.94 -0.43 -1.17 119.30 119.32 2duo s MET 271 Ca -0.07 -0.42 0.01 0.00 -1.71 0.00 0.00 55.69 53.50 2duo s MET 271 Cb -0.01 -1.86 0.03 0.00 2.01 0.00 0.00 34.83 35.01 2duo s MET 271 CO 0.02 -0.29 -0.17 0.15 -0.01 0.00 0.00 175.02 174.72 2duo s LYS 272 N 1.61 2.81 -0.21 2.03 1.02 0.85 -0.32 119.74 127.53 2duo s LYS 272 Ca 0.04 -0.96 -0.08 0.00 0.02 0.00 0.00 55.97 54.99 2duo s LYS 272 Cb -0.13 -2.67 -0.04 0.00 -0.52 0.00 0.00 37.83 34.46 2duo s LYS 272 CO -0.09 -0.30 0.10 -1.17 -0.92 0.00 0.00 175.35 172.96 2duo s LEU 273 N 1.25 3.85 -0.08 3.17 1.98 -1.26 -0.80 118.68 126.80 2duo s LEU 273 Ca 0.01 0.04 0.02 0.00 -2.89 0.00 0.00 54.13 51.31 2duo s LEU 273 Cb -0.15 -2.01 -0.02 0.00 0.66 0.00 0.00 46.19 44.67 2duo s LEU 273 CO -0.11 0.10 -0.12 -0.36 -1.89 0.00 0.00 176.35 173.97 2duo s PHE 274 N 0.81 2.78 0.08 5.38 0.40 0.20 -0.63 117.98 127.00 2duo s PHE 274 Ca 0.05 -0.27 -0.30 0.00 -0.60 0.00 0.00 56.93 55.81 2duo s PHE 274 Cb -0.13 -1.72 -0.05 0.00 0.51 0.00 0.00 43.02 41.63 2duo s PHE 274 CO 0.02 0.09 1.03 -1.14 0.70 0.00 0.00 175.22 175.92 2duo s GLN 275 N -0.39 4.59 -0.08 0.44 0.74 -0.17 -1.56 119.66 123.22 2duo s GLN 275 Ca 0.05 1.53 -0.10 0.00 0.05 0.00 0.00 55.36 56.89 2duo s GLN 275 Cb -0.12 -3.38 -0.05 0.00 1.10 0.00 0.00 33.01 30.56 2duo s GLN 275 CO 0.02 0.03 0.24 -0.51 -0.55 0.00 0.00 175.29 174.52 2duo s LEU 276 N 0.44 4.40 -0.92 3.68 1.43 -0.19 -4.85 118.68 122.67 2duo s LEU 276 Ca 0.51 0.63 -0.22 0.00 -1.03 0.00 0.00 54.13 54.02 2duo s LEU 276 Cb -0.24 -2.27 0.07 0.00 0.03 0.00 0.00 46.19 43.78 2duo s LEU 276 CO 0.30 0.35 1.28 -0.04 0.23 0.00 0.00 176.35 178.48 2duo s MET 277 N -0.91 3.49 -0.04 1.70 -1.94 -1.26 -4.76 119.30 115.59 2duo s MET 277 Ca 0.18 -1.16 0.04 0.00 -1.71 0.00 0.00 55.69 53.04 2duo s MET 277 Cb -0.14 -4.96 -0.00 0.00 2.01 0.00 0.00 34.83 31.74 2duo s MET 277 CO 0.07 -2.03 -0.16 0.08 -0.01 0.00 0.00 175.02 172.97 2duo s VAL 278 N 4.31 1.30 0.52 -6.03 1.01 -1.26 -5.14 120.40 115.11 2duo s VAL 278 Ca 0.38 -0.66 -0.18 0.00 0.00 0.00 0.00 61.98 61.53 2duo s VAL 278 Cb -0.04 -1.12 -0.07 0.00 0.00 0.00 0.00 36.38 35.15 2duo s VAL 278 CO -0.05 0.38 1.01 -1.61 0.00 0.00 0.00 175.10 174.83 2duo s GLU 279 N -0.01 3.81 0.00 2.72 0.41 -1.26 -5.04 118.70 119.34 2duo s GLU 279 Ca -0.02 1.10 0.00 0.00 -0.41 0.00 0.00 54.97 55.64 2duo s GLU 279 Cb -0.10 -2.11 0.00 0.00 -1.78 0.00 0.00 34.13 30.14 2duo s GLU 279 CO 0.01 -0.39 0.00 0.72 -0.49 0.00 0.00 175.26 175.11 2duo n HIS 280 N -1.46 0.00 0.00 1.61 8.25 -1.26 -5.06 115.22 117.30 2duo n HIS 280 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 2duo n HIS 280 Cb 0.53 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.64 2duo n HIS 280 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2duo n ILE 287 N 0.00 -0.08 -2.78 1.59 -0.00 -1.26 -5.33 119.36 111.51 2duo n ILE 287 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 62.75 62.32 2duo n ILE 287 Cb 0.00 -0.05 -0.03 0.00 -0.00 0.00 0.00 39.64 39.56 2duo n ILE 287 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 2duo s ASP 288 N -0.10 6.29 0.55 4.38 -1.08 -1.26 -4.89 116.67 120.56 2duo s ASP 288 Ca 0.00 -1.14 0.36 0.00 -0.52 0.00 0.00 52.55 51.25 2duo s ASP 288 Cb 0.00 -2.46 1.74 0.00 -1.46 0.00 0.00 42.92 40.74 2duo s ASP 288 CO 0.00 -1.45 2.08 -0.50 0.52 0.00 0.00 175.17 175.82 2duo h TRP 289 N 9.55 0.00 0.00 -5.34 4.06 -1.99 -2.00 115.95 120.22 2duo h TRP 289 Ca -0.15 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.80 2duo h TRP 289 Cb 1.05 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.21 2duo h TRP 289 CO 1.07 0.00 0.00 1.79 -3.56 0.00 0.00 178.44 177.74 2duo h THR 290 N 0.00 0.00 -0.10 1.49 1.35 -1.90 -0.68 112.91 113.06 2duo h THR 290 Ca 0.00 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 2duo h THR 290 Cb 0.25 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 2duo h THR 290 CO 0.00 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.56 2duo n LYS 291 N -2.41 1.56 -1.74 4.72 5.02 -0.75 -4.69 118.16 119.87 2duo n LYS 291 Ca 0.03 -1.63 -0.42 0.00 -2.02 0.00 0.00 58.31 54.27 2duo n LYS 291 Cb 0.33 -1.33 -0.03 0.00 -0.02 0.00 0.00 35.03 33.98 2duo n LYS 291 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2duo s ILE 292 N -1.33 2.74 0.15 -0.18 1.01 -1.23 -4.97 121.20 117.39 2duo s ILE 292 Ca 0.22 0.11 -0.30 0.00 0.00 0.00 0.00 60.65 60.68 2duo s ILE 292 Cb 0.15 -3.07 -0.07 0.00 0.01 0.00 0.00 42.46 39.47 2duo s ILE 292 CO 0.21 -0.00 1.08 -0.70 0.00 0.00 0.00 174.94 175.54 2duo s GLU 293 N 3.17 4.59 0.09 2.79 2.12 -1.26 -3.76 118.70 126.44 2duo s GLU 293 Ca 0.82 1.67 -0.31 0.00 0.36 0.00 0.00 54.97 57.51 2duo s GLU 293 Cb -0.44 -3.31 -0.09 0.00 0.26 0.00 0.00 34.13 30.55 2duo s GLU 293 CO 0.37 0.06 1.76 -2.14 -0.54 0.00 0.00 175.26 174.77 2duo s PRO 294 N -0.12 4.16 0.13 4.30 0.02 -1.26 -4.61 135.00 137.62 2duo s PRO 294 Ca 0.50 2.47 -0.23 0.00 0.02 0.00 0.00 61.00 63.76 2duo s PRO 294 Cb -0.28 -3.66 0.06 0.00 0.02 0.00 0.00 34.50 30.64 2duo s PRO 294 CO 0.33 -0.81 0.57 -1.54 -0.33 0.00 0.00 177.00 175.23 2duo s SER 295 N 2.76 -0.52 -0.02 2.53 1.04 -0.30 -4.28 113.70 114.90 2duo s SER 295 Ca 0.78 0.03 0.04 0.00 0.48 0.00 0.00 55.95 57.28 2duo s SER 295 Cb -0.43 0.57 -0.00 0.00 0.10 0.00 0.00 66.02 66.26 2duo s SER 295 CO 0.35 -0.90 -0.12 -0.69 0.98 0.00 0.00 173.24 172.85 2duo s VAL 296 N -3.44 1.02 -0.16 5.02 1.01 -1.26 -0.06 120.40 122.53 2duo s VAL 296 Ca -0.00 -0.52 -0.27 0.00 0.00 0.00 0.00 61.98 61.19 2duo s VAL 296 Cb -0.01 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.49 2duo s VAL 296 CO -0.10 0.30 0.91 0.21 0.00 0.00 0.00 175.10 176.42 2duo s ASN 297 N -0.08 7.06 -0.09 3.32 3.84 -0.85 -4.91 114.94 123.23 2duo s ASN 297 Ca 0.01 1.30 0.13 0.00 0.21 0.00 0.00 52.86 54.51 2duo s ASN 297 Cb -0.07 -2.50 0.20 0.00 -0.55 0.00 0.00 41.25 38.33 2duo s ASN 297 CO 0.00 -0.45 1.09 2.22 -2.79 0.00 0.00 177.10 177.17 2duo n PHE 298 N 5.34 0.00 0.82 0.43 -1.74 -1.26 -4.91 117.46 116.14 2duo n PHE 298 Ca 0.07 -0.71 0.10 0.00 -0.56 0.00 0.00 57.45 56.35 2duo n PHE 298 Cb 0.48 -0.12 0.08 0.00 1.52 0.00 0.00 39.48 41.45 2duo n PHE 298 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48