#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vao h PHE 7 N 0.00 -0.88 -1.83 4.31 -5.15 -1.99 -3.45 116.94 107.95 1vao h PHE 7 Ca 0.00 0.03 -0.21 0.00 -0.20 0.00 0.00 57.97 57.59 1vao h PHE 7 Cb 0.00 0.38 -0.30 0.00 0.22 0.00 0.00 35.95 36.26 1vao h PHE 7 CO 0.00 -0.32 -0.55 1.03 -2.00 0.00 0.00 178.31 176.48 1vao s ARG 8 N -4.51 0.38 1.26 6.09 0.52 -1.26 -4.83 118.95 116.61 1vao s ARG 8 Ca -0.09 0.16 -0.15 0.00 -0.52 0.00 0.00 55.73 55.13 1vao s ARG 8 Cb 0.04 -0.41 0.32 0.00 0.52 0.00 0.00 34.95 35.41 1vao s ARG 8 CO 0.34 -0.95 0.99 -1.25 0.02 0.00 0.00 175.30 174.44 1vao s PRO 9 N 2.51 -1.69 -0.02 3.54 0.05 -1.26 -4.27 135.00 133.86 1vao s PRO 9 Ca 0.10 0.67 0.04 0.00 0.05 0.00 0.00 61.00 61.86 1vao s PRO 9 Cb -0.13 -1.48 -0.25 0.00 0.05 0.00 0.00 34.50 32.69 1vao s PRO 9 CO -0.28 -4.19 0.76 -0.07 0.05 0.00 0.00 177.00 173.27 1vao h LEU 10 N -2.95 0.18 -7.48 -3.56 3.38 -0.93 -3.45 115.31 100.50 1vao h LEU 10 Ca -0.59 -0.31 -0.28 0.00 0.09 0.00 0.00 57.88 56.79 1vao h LEU 10 Cb 1.34 -0.06 -0.33 0.00 0.09 0.00 0.00 40.66 41.70 1vao h LEU 10 CO 0.45 1.27 -0.68 -0.89 0.09 0.00 0.00 178.44 178.68 1vao s THR 11 N -2.61 -0.06 -0.15 0.22 2.01 -1.26 -5.11 115.64 108.68 1vao s THR 11 Ca -0.08 0.21 -0.08 0.00 0.31 0.00 0.00 61.69 62.05 1vao s THR 11 Cb 0.08 -0.14 -0.04 0.00 0.01 0.00 0.00 72.50 72.40 1vao s THR 11 CO 0.82 0.08 0.12 -0.76 -0.69 0.00 0.00 174.62 174.20 1vao s LEU 12 N 1.13 4.25 1.19 4.42 1.43 -1.26 -4.05 118.68 125.78 1vao s LEU 12 Ca -0.09 0.35 -0.15 0.00 -1.03 0.00 0.00 54.13 53.21 1vao s LEU 12 Cb -0.12 -2.05 0.25 0.00 0.03 0.00 0.00 46.19 44.29 1vao s LEU 12 CO -0.04 0.32 0.70 -0.81 0.23 0.00 0.00 176.35 176.75 1vao n PRO 13 N 2.55 -2.44 -1.91 1.29 -0.04 -1.19 -4.62 135.00 128.64 1vao n PRO 13 Ca -0.18 -0.69 -0.41 0.00 -0.04 0.00 0.00 63.50 62.17 1vao n PRO 13 Cb 0.54 -2.01 -0.01 0.00 -0.04 0.00 0.00 33.50 31.98 1vao n PRO 13 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1vao s PRO 14 N -4.11 4.20 -0.64 0.54 0.01 -1.26 -3.27 135.00 130.48 1vao s PRO 14 Ca 0.65 2.44 0.00 0.00 0.01 0.00 0.00 61.00 64.10 1vao s PRO 14 Cb -0.21 -3.03 0.00 0.00 0.01 0.00 0.00 34.50 31.27 1vao s PRO 14 CO 0.66 -0.46 0.00 1.63 0.01 0.00 0.00 177.00 178.84 1vao n LYS 15 N 1.30 -1.80 -3.39 5.54 5.02 -1.26 -4.97 118.16 118.60 1vao n LYS 15 Ca 0.04 0.64 -0.38 0.00 -2.02 0.00 0.00 58.31 56.59 1vao n LYS 15 Cb 0.40 -4.90 -0.07 0.00 -0.02 0.00 0.00 35.03 30.44 1vao n LYS 15 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1vao s LEU 16 N -1.46 4.22 0.81 -0.35 1.98 -1.20 -5.06 118.68 117.61 1vao s LEU 16 Ca 0.00 0.63 -0.12 0.00 -2.89 0.00 0.00 54.13 51.76 1vao s LEU 16 Cb 0.00 -2.56 0.08 0.00 0.66 0.00 0.00 46.19 44.37 1vao s LEU 16 CO 0.00 -0.02 1.10 -0.94 -1.89 0.00 0.00 176.35 174.60 1vao s SER 17 N 0.77 4.39 0.20 3.68 1.04 -1.26 -4.83 113.70 117.69 1vao s SER 17 Ca 0.21 1.29 -0.10 0.00 0.48 0.00 0.00 55.95 57.84 1vao s SER 17 Cb -0.14 -2.01 0.13 0.00 0.10 0.00 0.00 66.02 64.09 1vao s SER 17 CO 0.08 -2.03 1.78 0.25 0.98 0.00 0.00 173.24 174.30 1vao h LEU 18 N -1.13 0.97 -0.52 2.42 5.85 -1.99 0.86 115.31 121.77 1vao h LEU 18 Ca -0.47 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.08 1vao h LEU 18 Cb 1.27 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 1vao h LEU 18 CO 0.59 0.84 0.24 -1.28 -0.34 0.00 0.00 178.44 178.50 1vao h SER 19 N 1.03 0.70 -0.73 1.25 0.87 -1.96 0.25 113.55 114.95 1vao h SER 19 Ca 0.25 -0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1vao h SER 19 Cb 0.14 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 61.89 1vao h SER 19 CO -0.03 0.64 0.44 0.44 -0.53 0.00 0.00 176.83 177.80 1vao h ASP 20 N 0.70 0.89 0.26 6.23 3.32 -1.73 0.46 116.42 126.56 1vao h ASP 20 Ca 0.18 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1vao h ASP 20 Cb 0.14 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1vao h ASP 20 CO -0.02 0.69 -0.14 0.15 -1.72 0.00 0.00 179.24 178.20 1vao h PHE 21 N 1.02 -0.36 -0.00 4.55 3.57 -0.01 -1.74 116.94 123.97 1vao h PHE 21 Ca 0.27 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.76 1vao h PHE 21 Cb -0.04 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.82 1vao h PHE 21 CO 0.00 -0.22 0.00 -0.91 -2.23 0.00 0.00 178.31 174.96 1vao h ASN 22 N -0.37 0.00 0.06 0.41 2.35 -0.03 0.35 115.58 118.35 1vao h ASN 22 Ca -0.03 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1vao h ASN 22 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1vao h ASN 22 CO 0.05 0.00 -0.03 -0.08 -1.65 0.00 0.00 177.43 175.72 1vao h GLU 23 N 0.00 -0.08 -0.23 0.81 4.81 0.67 -2.70 114.58 117.86 1vao h GLU 23 Ca 0.00 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.30 1vao h GLU 23 Cb 0.00 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.33 1vao h GLU 23 CO -0.00 0.53 -0.25 0.35 -0.73 0.00 0.00 179.01 178.91 1vao h PHE 24 N -0.84 -0.67 -0.97 0.92 3.04 -1.15 -0.64 116.94 116.63 1vao h PHE 24 Ca -0.01 0.04 0.19 0.00 3.98 0.00 0.00 57.97 62.17 1vao h PHE 24 Cb 0.64 0.33 -0.11 0.00 2.56 0.00 0.00 35.95 39.37 1vao h PHE 24 CO 0.15 -0.33 0.57 0.97 -2.02 0.00 0.00 178.31 177.65 1vao h ILE 25 N -0.27 0.68 -0.33 1.41 6.09 -0.35 -1.35 117.51 123.39 1vao h ILE 25 Ca 0.13 -0.24 -0.14 0.00 -1.37 0.00 0.00 64.86 63.24 1vao h ILE 25 Cb 0.47 -0.09 -0.01 0.00 0.47 0.00 0.00 36.82 37.66 1vao h ILE 25 CO -0.38 0.13 -0.37 1.56 -3.07 0.00 0.00 178.15 176.02 1vao h GLN 26 N 0.70 0.76 -0.45 2.19 1.08 -0.79 -1.97 115.11 116.63 1vao h GLN 26 Ca 0.57 -0.38 -0.00 0.00 -1.45 0.00 0.00 58.65 57.39 1vao h GLN 26 Cb 0.90 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.31 1vao h GLN 26 CO -0.40 1.00 0.27 -0.44 -0.95 0.00 0.00 178.83 178.32 1vao h ASP 27 N 0.63 0.54 -0.25 1.46 3.32 -0.66 -1.92 116.42 119.54 1vao h ASP 27 Ca 0.06 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1vao h ASP 27 Cb 0.91 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 1vao h ASP 27 CO 0.08 0.44 -0.10 0.40 -1.72 0.00 0.00 179.24 178.34 1vao h ILE 28 N 0.60 1.24 -0.70 0.35 2.04 -1.11 0.54 117.51 120.47 1vao h ILE 28 Ca 0.16 -1.08 -0.05 0.00 1.00 0.00 0.00 64.86 64.89 1vao h ILE 28 Cb -0.01 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1vao h ILE 28 CO -0.03 0.36 0.24 0.40 0.00 0.00 0.00 178.15 179.12 1vao h ILE 29 N 0.59 1.25 -0.86 -0.67 2.04 -0.93 0.10 117.51 119.03 1vao h ILE 29 Ca 0.11 -0.86 -0.00 0.00 1.00 0.00 0.00 64.86 65.10 1vao h ILE 29 Cb 0.52 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1vao h ILE 29 CO 0.03 0.34 0.52 -0.09 0.00 0.00 0.00 178.15 178.95 1vao h ARG 30 N 1.03 1.17 0.32 2.37 2.43 -0.70 0.15 114.38 121.15 1vao h ARG 30 Ca 0.23 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1vao h ARG 30 Cb 0.28 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1vao h ARG 30 CO -0.01 0.82 -0.15 0.82 -1.51 0.00 0.00 179.97 179.93 1vao h ILE 31 N 1.19 0.00 0.00 1.20 2.04 0.45 -3.40 117.51 118.99 1vao h ILE 31 Ca 0.31 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1vao h ILE 31 Cb -0.05 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.03 1vao h ILE 31 CO -0.06 0.00 -0.42 1.33 0.00 0.00 0.00 178.15 179.00 1vao n VAL 32 N -4.68 0.19 0.00 1.67 0.24 0.22 -5.03 118.33 110.94 1vao n VAL 32 Ca -0.05 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 1vao n VAL 32 Cb 0.17 -0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.44 1vao n VAL 32 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1vao n GLY 33 N 1.42 2.16 0.37 7.63 0.00 0.51 -4.20 105.19 113.08 1vao n GLY 33 Ca 0.05 -1.64 0.20 0.00 0.00 0.00 0.00 46.02 44.62 1vao n GLY 33 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1vao h SER 34 N 0.00 0.00 0.99 1.61 4.64 -1.93 0.14 113.55 119.01 1vao h SER 34 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1vao h SER 34 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1vao h SER 34 CO 0.00 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 175.63 1vao h GLU 35 N 0.00 0.00 -0.66 4.77 4.39 -1.94 -2.80 114.58 118.34 1vao h GLU 35 Ca 0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 1vao h GLU 35 Cb 0.93 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 1vao h GLU 35 CO -0.00 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 177.94 1vao n ASN 36 N -3.00 4.23 -3.75 1.42 3.02 0.50 -4.93 115.26 112.75 1vao n ASN 36 Ca 0.01 -2.28 -0.13 0.00 -0.03 0.00 0.00 54.58 52.14 1vao n ASN 36 Cb 0.30 -0.53 -0.10 0.00 -0.61 0.00 0.00 39.78 38.84 1vao n ASN 36 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1vao s VAL 37 N -1.60 0.01 -0.17 2.41 1.01 -1.06 0.75 120.40 121.76 1vao s VAL 37 Ca 0.47 -0.09 -0.04 0.00 0.00 0.00 0.00 61.98 62.32 1vao s VAL 37 Cb 0.29 -0.54 0.08 0.00 0.00 0.00 0.00 36.38 36.21 1vao s VAL 37 CO 0.26 -0.05 0.21 -0.70 0.00 0.00 0.00 175.10 174.81 1vao s GLU 38 N -0.12 0.14 0.33 2.72 2.12 -0.03 -4.94 118.70 118.94 1vao s GLU 38 Ca -0.03 0.32 -0.19 0.00 0.36 0.00 0.00 54.97 55.43 1vao s GLU 38 Cb -0.03 -0.92 -0.10 0.00 0.26 0.00 0.00 34.13 33.34 1vao s GLU 38 CO 0.01 -0.54 0.82 0.08 -0.54 0.00 0.00 175.26 175.09 1vao s VAL 39 N 2.32 4.51 -0.53 3.70 1.01 -1.26 0.27 120.40 130.41 1vao s VAL 39 Ca 0.05 1.29 -0.05 0.00 0.00 0.00 0.00 61.98 63.27 1vao s VAL 39 Cb -0.15 -3.71 0.14 0.00 0.00 0.00 0.00 36.38 32.66 1vao s VAL 39 CO -0.10 -0.10 0.36 -0.63 0.00 0.00 0.00 175.10 174.63 1vao s ILE 40 N -1.90 3.84 -1.28 2.22 1.01 0.26 -4.88 121.20 120.46 1vao s ILE 40 Ca 0.54 -2.34 0.28 0.00 0.00 0.00 0.00 60.65 59.12 1vao s ILE 40 Cb -0.12 -3.53 0.27 0.00 0.01 0.00 0.00 42.46 39.08 1vao s ILE 40 CO 0.18 -0.80 1.76 -1.20 0.00 0.00 0.00 174.94 174.87 1vao n SER 41 N 4.23 0.34 -4.68 3.58 7.64 -1.26 -0.26 113.62 123.21 1vao n SER 41 Ca 0.01 -0.17 -0.30 0.00 1.01 0.00 0.00 58.87 59.42 1vao n SER 41 Cb 0.40 -0.12 -0.08 0.00 -1.01 0.00 0.00 64.21 63.41 1vao n SER 41 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1vao s VAL 47 N -2.77 3.96 1.02 0.44 1.01 -1.26 -4.76 120.40 118.05 1vao s VAL 47 Ca 0.20 -1.00 -0.26 0.00 0.00 0.00 0.00 61.98 60.92 1vao s VAL 47 Cb 0.19 -2.88 -0.14 0.00 0.00 0.00 0.00 36.38 33.55 1vao s VAL 47 CO 0.55 0.13 -1.21 0.47 0.00 0.00 0.00 175.10 175.04 1vao n ASP 48 N 0.61 -3.02 0.00 3.32 8.00 -1.26 -5.01 116.55 119.19 1vao n ASP 48 Ca -0.11 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.38 1vao n ASP 48 Cb 0.52 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 1vao n ASP 48 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vao n GLY 49 N 3.20 1.56 3.23 0.44 0.00 -1.26 -4.97 105.19 107.39 1vao n GLY 49 Ca -0.01 -0.23 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 1vao n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vao s SER 50 N 1.00 -0.21 0.47 1.61 1.04 -0.44 -4.91 113.70 112.26 1vao s SER 50 Ca 0.00 0.19 0.16 0.00 0.48 0.00 0.00 55.95 56.78 1vao s SER 50 Cb 0.00 0.38 1.11 0.00 0.10 0.00 0.00 66.02 67.61 1vao s SER 50 CO 0.00 -0.37 2.03 0.22 0.98 0.00 0.00 173.24 176.10 1vao h TYR 51 N 4.27 0.00 0.14 5.02 3.20 -2.02 1.17 116.97 128.75 1vao h TYR 51 Ca -0.29 0.00 -0.30 0.00 3.14 0.00 0.00 58.73 61.28 1vao h TYR 51 Cb 1.18 0.00 0.03 0.00 1.54 0.00 0.00 36.73 39.48 1vao h TYR 51 CO 0.50 0.14 -1.26 0.52 -1.64 0.00 0.00 178.16 176.42 1vao h MET 52 N 0.00 0.62 -2.52 1.82 2.86 -2.03 -3.37 114.93 112.30 1vao h MET 52 Ca -0.00 -0.84 -0.60 0.00 -2.06 0.00 0.00 59.70 56.20 1vao h MET 52 Cb 0.26 0.28 -0.40 0.00 0.06 0.00 0.00 31.60 31.81 1vao h MET 52 CO 0.02 1.39 -0.85 1.63 1.06 0.00 0.00 176.91 180.16 1vao n LYS 53 N -3.80 0.86 -1.77 1.72 5.02 -0.27 -5.10 118.16 114.83 1vao n LYS 53 Ca -0.14 -3.65 -0.39 0.00 -2.02 0.00 0.00 58.31 52.11 1vao n LYS 53 Cb 1.00 -1.84 0.04 0.00 -0.02 0.00 0.00 35.03 34.21 1vao n LYS 53 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1vao s PRO 54 N -0.67 3.20 0.08 1.97 0.02 0.39 -1.33 135.00 138.66 1vao s PRO 54 Ca 0.31 2.28 -0.20 0.00 0.02 0.00 0.00 61.00 63.41 1vao s PRO 54 Cb 0.04 -2.31 -0.07 0.00 0.02 0.00 0.00 34.50 32.18 1vao s PRO 54 CO -0.17 -1.16 0.60 -0.08 -0.33 0.00 0.00 177.00 175.86 1vao s THR 55 N -1.28 4.70 -0.07 0.99 -1.32 -1.26 -4.83 115.64 112.58 1vao s THR 55 Ca 0.70 1.29 0.22 0.00 -1.21 0.00 0.00 61.69 62.69 1vao s THR 55 Cb -0.41 -3.94 -0.28 0.00 -1.51 0.00 0.00 72.50 66.36 1vao s THR 55 CO 0.50 0.54 0.56 1.41 -2.21 0.00 0.00 174.62 175.41 1vao n HIS 56 N 1.79 0.16 0.20 9.09 8.25 -1.26 -4.20 115.22 129.24 1vao n HIS 56 Ca -0.09 0.05 0.07 0.00 -0.26 0.00 0.00 57.72 57.48 1vao n HIS 56 Cb 0.50 -0.59 0.36 0.00 1.12 0.00 0.00 29.99 31.39 1vao n HIS 56 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1vao h THR 57 N 0.00 0.77 -2.09 1.59 1.35 -1.95 -3.38 112.91 109.19 1vao h THR 57 Ca -0.01 -1.41 0.12 0.00 -0.55 0.00 0.00 66.41 64.55 1vao h THR 57 Cb 1.03 1.89 -0.02 0.00 -1.73 0.00 0.00 68.15 69.33 1vao h THR 57 CO 0.00 0.32 0.39 0.00 -0.25 0.00 0.00 175.52 175.98 1vao n HIS 58 N -3.47 -0.91 -2.53 4.73 1.44 -1.26 -2.12 115.22 111.10 1vao n HIS 58 Ca 0.00 -0.71 -0.43 0.00 -2.01 0.00 0.00 57.72 54.57 1vao n HIS 58 Cb 0.49 0.34 -0.02 0.00 0.12 0.00 0.00 29.99 30.92 1vao n HIS 58 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1vao s ASP 59 N -2.51 6.87 0.11 4.39 -1.08 -1.24 -3.94 116.67 119.27 1vao s ASP 59 Ca 0.15 1.28 0.03 0.00 -0.52 0.00 0.00 52.55 53.48 1vao s ASP 59 Cb -0.01 -2.54 -0.21 0.00 -1.46 0.00 0.00 42.92 38.70 1vao s ASP 59 CO 0.03 -0.89 1.24 1.55 0.52 0.00 0.00 175.17 177.62 1vao h PRO 60 N 8.43 0.11 -1.13 4.34 0.13 -1.93 -3.18 132.00 138.77 1vao h PRO 60 Ca -0.23 -0.18 -0.47 0.00 -0.87 0.00 0.00 66.00 64.24 1vao h PRO 60 Cb 1.08 0.07 -0.23 0.00 0.13 0.00 0.00 31.00 32.05 1vao h PRO 60 CO 1.01 1.07 0.61 0.72 -0.23 0.00 0.00 178.00 181.18 1vao n HIS 61 N -3.45 2.46 -1.67 1.56 8.25 -1.26 -4.88 115.22 116.24 1vao n HIS 61 Ca -0.03 -2.14 -0.43 0.00 -0.26 0.00 0.00 57.72 54.86 1vao n HIS 61 Cb 0.95 -1.05 -0.03 0.00 1.12 0.00 0.00 29.99 30.98 1vao n HIS 61 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1vao n HIS 62 N -0.55 2.51 0.04 4.41 1.44 -1.20 -4.77 115.22 117.10 1vao n HIS 62 Ca 0.48 -0.32 -0.20 0.00 -2.01 0.00 0.00 57.72 55.68 1vao n HIS 62 Cb 0.96 -2.78 -0.14 0.00 0.12 0.00 0.00 29.99 28.15 1vao n HIS 62 CO 0.00 0.00 0.00 -0.39 -2.81 0.00 0.00 176.34 173.14 1vao h VAL 63 N 5.50 1.47 -1.99 0.61 -1.51 -1.94 -3.46 116.25 114.92 1vao h VAL 63 Ca -0.49 -2.40 0.00 0.00 -1.23 0.00 0.00 66.70 62.57 1vao h VAL 63 Cb 1.24 2.99 0.00 0.00 -2.13 0.00 0.00 31.29 33.40 1vao h VAL 63 CO 0.94 0.69 0.00 0.23 -1.23 0.00 0.00 177.57 178.20 1vao n MET 64 N -4.12 0.72 -2.22 5.19 2.81 -1.26 -4.76 117.12 113.48 1vao n MET 64 Ca -0.13 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.40 1vao n MET 64 Cb 0.80 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 33.31 1vao n MET 64 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1vao s ASP 65 N -1.00 5.92 0.17 7.83 1.11 -1.26 -4.94 116.67 124.49 1vao s ASP 65 Ca 0.00 2.29 -0.25 0.00 0.18 0.00 0.00 52.55 54.77 1vao s ASP 65 Cb 0.00 -2.60 0.04 0.00 1.07 0.00 0.00 42.92 41.44 1vao s ASP 65 CO 0.00 -1.09 1.58 -0.61 1.18 0.00 0.00 175.17 176.22 1vao h GLN 66 N 1.66 -0.24 -0.68 8.23 4.15 -1.92 -0.11 115.11 126.21 1vao h GLN 66 Ca -0.50 0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.94 1vao h GLN 66 Cb 1.26 0.05 0.00 0.00 0.21 0.00 0.00 27.48 29.00 1vao h GLN 66 CO 0.59 -0.16 0.00 -0.40 -1.93 0.00 0.00 178.83 176.93 1vao n ASP 67 N -5.42 2.80 0.09 -0.69 5.75 -1.26 -4.38 116.55 113.45 1vao n ASP 67 Ca 0.01 -2.31 -0.12 0.00 -0.01 0.00 0.00 54.79 52.37 1vao n ASP 67 Cb 0.35 -0.49 -0.05 0.00 -1.03 0.00 0.00 41.12 39.90 1vao n ASP 67 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 1vao h TYR 68 N 1.88 -0.52 -3.61 2.11 3.20 -1.37 -3.34 116.97 115.32 1vao h TYR 68 Ca 0.00 0.01 -0.68 0.00 3.14 0.00 0.00 58.73 61.21 1vao h TYR 68 Cb 0.98 0.22 -0.25 0.00 1.54 0.00 0.00 36.73 39.22 1vao h TYR 68 CO 0.43 -0.29 -0.61 -0.06 -1.64 0.00 0.00 178.16 175.99 1vao s PHE 69 N -6.10 3.15 -0.11 -3.82 0.08 -1.26 -4.78 117.98 105.14 1vao s PHE 69 Ca -0.15 -0.86 -0.11 0.00 0.12 0.00 0.00 56.93 55.93 1vao s PHE 69 Cb 0.08 -2.28 0.03 0.00 -0.57 0.00 0.00 43.02 40.28 1vao s PHE 69 CO 0.66 -0.54 0.31 -1.17 -0.10 0.00 0.00 175.22 174.38 1vao s LEU 70 N 1.53 0.82 0.61 -0.37 2.96 -1.26 -4.33 118.68 118.65 1vao s LEU 70 Ca 0.03 0.59 -0.16 0.00 -0.22 0.00 0.00 54.13 54.37 1vao s LEU 70 Cb -0.17 1.07 -0.02 0.00 0.50 0.00 0.00 46.19 47.57 1vao s LEU 70 CO 0.03 -0.13 1.10 0.00 -1.32 0.00 0.00 176.35 176.03 1vao s ALA 71 N 0.07 2.60 -0.08 5.97 0.00 -0.90 -0.07 121.76 129.35 1vao s ALA 71 Ca -0.01 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1vao s ALA 71 Cb -0.02 -3.30 -0.25 0.00 0.00 0.00 0.00 23.12 19.54 1vao s ALA 71 CO 0.01 -1.01 0.52 0.66 0.00 0.00 0.00 175.76 175.94 1vao h SER 72 N 0.43 0.28 -5.01 0.00 4.64 -0.67 -3.42 113.55 109.79 1vao h SER 72 Ca -0.48 -0.60 -0.08 0.00 -0.47 0.00 0.00 61.79 60.17 1vao h SER 72 Cb 1.24 -0.09 -0.18 0.00 -0.31 0.00 0.00 62.40 63.06 1vao h SER 72 CO 0.56 1.53 -0.02 0.00 -0.87 0.00 0.00 176.83 178.03 1vao s ALA 73 N -2.58 -1.25 -0.19 5.18 0.00 -1.25 -0.58 121.76 121.09 1vao s ALA 73 Ca -0.15 0.66 -0.07 0.00 0.00 0.00 0.00 51.96 52.40 1vao s ALA 73 Cb 0.07 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.36 1vao s ALA 73 CO 0.80 -0.40 0.06 0.42 0.00 0.00 0.00 175.76 176.64 1vao s ILE 74 N -1.86 4.71 -0.10 0.00 1.01 0.75 -1.19 121.20 124.52 1vao s ILE 74 Ca -0.09 -0.06 -0.00 0.00 0.00 0.00 0.00 60.65 60.50 1vao s ILE 74 Cb -0.02 -3.13 0.02 0.00 0.01 0.00 0.00 42.46 39.35 1vao s ILE 74 CO 0.03 0.45 -0.07 -0.69 0.00 0.00 0.00 174.94 174.65 1vao s VAL 75 N 0.52 0.97 -0.73 2.92 1.01 0.56 -0.85 120.40 124.81 1vao s VAL 75 Ca 0.03 -0.27 -0.15 0.00 0.00 0.00 0.00 61.98 61.59 1vao s VAL 75 Cb -0.13 -0.99 0.18 0.00 0.00 0.00 0.00 36.38 35.45 1vao s VAL 75 CO 0.01 0.35 0.69 0.00 0.00 0.00 0.00 175.10 176.15 1vao s ALA 76 N 1.61 3.90 0.26 5.51 0.00 0.23 -1.80 121.76 131.47 1vao s ALA 76 Ca 0.03 -3.02 -0.31 0.00 0.00 0.00 0.00 51.96 48.66 1vao s ALA 76 Cb -0.13 -3.45 -0.13 0.00 0.00 0.00 0.00 23.12 19.41 1vao s ALA 76 CO -0.07 -2.21 1.49 -0.35 0.00 0.00 0.00 175.76 174.62 1vao n PRO 77 N 4.53 2.32 0.18 0.00 -0.04 -1.26 -4.74 135.00 135.99 1vao n PRO 77 Ca 0.04 0.82 0.11 0.00 -0.04 0.00 0.00 63.50 64.44 1vao n PRO 77 Cb 0.45 -2.54 0.11 0.00 -0.04 0.00 0.00 33.50 31.48 1vao n PRO 77 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1vao h ARG 78 N 4.49 0.00 -2.56 0.54 -0.00 -1.93 -3.39 114.38 111.53 1vao h ARG 78 Ca -0.46 0.00 0.14 0.00 -0.50 0.00 0.00 59.98 59.16 1vao h ARG 78 Cb 1.25 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 31.19 1vao h ARG 78 CO 0.78 0.02 0.52 0.54 0.00 0.00 0.00 179.97 181.83 1vao s ASN 79 N -5.96 -0.03 0.49 7.04 6.03 -1.26 -4.58 114.94 116.67 1vao s ASN 79 Ca 0.04 -0.69 0.19 0.00 -1.03 0.00 0.00 52.86 51.38 1vao s ASN 79 Cb 0.07 0.55 1.23 0.00 -3.03 0.00 0.00 41.25 40.06 1vao s ASN 79 CO 0.71 -1.08 2.01 0.58 -2.03 0.00 0.00 177.10 177.29 1vao h VAL 80 N 2.00 0.83 -1.00 3.54 2.07 -1.98 -2.39 116.25 119.32 1vao h VAL 80 Ca -0.27 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.20 1vao h VAL 80 Cb 1.23 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 1vao h VAL 80 CO 0.34 0.03 0.66 0.00 0.02 0.00 0.00 177.57 178.63 1vao h ALA 81 N 1.75 1.28 -0.55 1.67 0.00 -2.00 -1.85 119.26 119.57 1vao h ALA 81 Ca 0.23 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.11 1vao h ALA 81 Cb 0.70 -0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1vao h ALA 81 CO -0.04 0.63 0.33 -0.44 0.00 0.00 0.00 179.25 179.73 1vao h ASP 82 N 1.33 0.53 -0.23 0.00 5.19 -1.83 0.76 116.42 122.16 1vao h ASP 82 Ca 0.37 0.01 0.04 0.00 -0.62 0.00 0.00 57.03 56.83 1vao h ASP 82 Cb -0.12 -0.11 -0.04 0.00 0.18 0.00 0.00 39.33 39.25 1vao h ASP 82 CO -0.09 0.37 0.00 0.58 -3.12 0.00 0.00 179.24 176.98 1vao h VAL 83 N 0.65 0.84 -0.60 -1.35 2.07 -1.44 1.15 116.25 117.57 1vao h VAL 83 Ca 0.22 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.78 1vao h VAL 83 Cb 0.03 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 1vao h VAL 83 CO -0.10 0.01 0.40 1.56 0.02 0.00 0.00 177.57 179.46 1vao h GLN 84 N 0.08 0.55 -0.16 1.57 4.20 -0.32 -0.95 115.11 120.08 1vao h GLN 84 Ca 0.11 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.67 1vao h GLN 84 Cb 0.14 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1vao h GLN 84 CO -0.18 0.36 -0.37 0.77 -0.67 0.00 0.00 178.83 178.74 1vao h SER 85 N 0.56 0.59 -0.44 1.46 0.02 0.15 -2.40 113.55 113.49 1vao h SER 85 Ca 0.26 -0.57 -0.04 0.00 -0.84 0.00 0.00 61.79 60.60 1vao h SER 85 Cb 0.31 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 1vao h SER 85 CO -0.08 1.05 0.12 0.40 -1.14 0.00 0.00 176.83 177.19 1vao h ILE 86 N 0.15 1.23 -0.49 3.27 2.04 0.18 -1.82 117.51 122.08 1vao h ILE 86 Ca -0.00 -0.78 0.03 0.00 1.00 0.00 0.00 64.86 65.11 1vao h ILE 86 Cb 0.97 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 1vao h ILE 86 CO 0.08 0.28 0.32 0.58 0.00 0.00 0.00 178.15 179.41 1vao h VAL 87 N 0.57 1.05 -0.27 1.67 2.07 -1.20 0.66 116.25 120.81 1vao h VAL 87 Ca 0.14 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 1vao h VAL 87 Cb 0.30 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1vao h VAL 87 CO -0.00 0.10 -0.01 1.23 0.02 0.00 0.00 177.57 178.91 1vao h GLY 88 N 0.55 0.52 1.10 2.17 0.00 -0.95 -0.74 103.07 105.71 1vao h GLY 88 Ca 0.20 -0.39 -0.10 0.00 0.00 0.00 0.00 47.33 47.04 1vao h GLY 88 CO -0.05 0.35 -0.01 1.41 0.00 0.00 0.00 176.54 178.25 1vao h LEU 89 N 0.25 1.05 -1.12 3.11 3.38 -0.50 -1.06 115.31 120.42 1vao h LEU 89 Ca 0.07 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 1vao h LEU 89 Cb 0.44 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1vao h LEU 89 CO 0.02 1.10 0.15 0.00 0.09 0.00 0.00 178.44 179.80 1vao h ALA 90 N 1.00 1.29 0.00 1.53 0.00 0.50 -0.64 119.26 122.94 1vao h ALA 90 Ca 0.17 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1vao h ALA 90 Cb 0.57 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1vao h ALA 90 CO 0.03 0.50 -0.22 -0.91 0.00 0.00 0.00 179.25 178.66 1vao h ASN 91 N 0.75 0.00 0.22 0.00 -0.26 -0.63 0.75 115.58 116.41 1vao h ASN 91 Ca 0.17 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.90 1vao h ASN 91 Cb 0.24 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.50 1vao h ASN 91 CO -0.01 0.22 -0.11 0.50 -1.06 0.00 0.00 177.43 176.98 1vao h LYS 92 N 0.00 -0.28 -0.01 0.81 3.64 0.17 -3.24 116.57 117.66 1vao h LYS 92 Ca -0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1vao h LYS 92 Cb 0.78 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1vao h LYS 92 CO 0.03 0.07 -0.07 1.19 -2.27 0.00 0.00 179.45 178.40 1vao n PHE 93 N -5.04 0.00 -3.47 1.91 3.01 -0.84 -4.95 117.46 108.07 1vao n PHE 93 Ca -0.09 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.16 1vao n PHE 93 Cb 0.25 -0.06 0.07 0.00 -0.01 0.00 0.00 39.48 39.74 1vao n PHE 93 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1vao n SER 94 N -0.33 -5.89 -4.68 4.37 7.64 0.25 -4.97 113.62 110.00 1vao n SER 94 Ca 0.17 -0.48 -0.38 0.00 1.01 0.00 0.00 58.87 59.20 1vao n SER 94 Cb 0.31 -4.51 -0.08 0.00 -1.01 0.00 0.00 64.21 58.92 1vao n SER 94 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1vao s PHE 95 N -3.28 3.39 0.22 1.43 2.19 -0.70 -4.90 117.98 116.33 1vao s PHE 95 Ca 0.52 0.58 -0.18 0.00 0.33 0.00 0.00 56.93 58.18 1vao s PHE 95 Cb -0.23 -2.47 -0.08 0.00 -1.31 0.00 0.00 43.02 38.93 1vao s PHE 95 CO 0.64 0.04 0.70 -2.14 1.83 0.00 0.00 175.22 176.30 1vao s PRO 96 N 1.13 4.19 0.03 10.12 0.02 -1.26 -4.73 135.00 144.50 1vao s PRO 96 Ca 0.18 0.80 -0.04 0.00 0.02 0.00 0.00 61.00 61.96 1vao s PRO 96 Cb -0.14 -2.84 -0.04 0.00 0.02 0.00 0.00 34.50 31.50 1vao s PRO 96 CO 0.07 0.38 0.24 -0.51 -0.33 0.00 0.00 177.00 176.85 1vao s LEU 97 N -2.08 4.36 -0.33 -5.54 1.43 0.18 -1.58 118.68 115.11 1vao s LEU 97 Ca 0.44 0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 53.95 1vao s LEU 97 Cb -0.16 -2.79 0.12 0.00 0.03 0.00 0.00 46.19 43.39 1vao s LEU 97 CO 0.20 0.22 0.17 0.86 0.23 0.00 0.00 176.35 178.02 1vao s TRP 98 N -1.39 0.89 0.00 0.29 -0.11 -0.39 -0.81 118.94 117.42 1vao s TRP 98 Ca 0.31 -1.47 -0.30 0.00 1.22 0.00 0.00 56.10 55.86 1vao s TRP 98 Cb -0.13 -1.16 -0.03 0.00 -1.50 0.00 0.00 33.47 30.65 1vao s TRP 98 CO 0.20 -0.83 1.03 -1.25 -4.62 0.00 0.00 176.95 171.48 1vao s PRO 99 N 1.45 4.52 0.07 5.86 0.04 -1.26 -0.25 135.00 145.43 1vao s PRO 99 Ca 0.13 1.49 0.03 0.00 0.04 0.00 0.00 61.00 62.69 1vao s PRO 99 Cb -0.20 -3.45 -0.03 0.00 0.04 0.00 0.00 34.50 30.86 1vao s PRO 99 CO -0.17 -0.12 -0.09 0.96 0.04 0.00 0.00 177.00 177.62 1vao s ILE 100 N 1.12 0.78 -0.21 0.56 -4.36 -1.03 -4.94 121.20 113.13 1vao s ILE 100 Ca 0.53 -1.40 -0.17 0.00 -0.26 0.00 0.00 60.65 59.35 1vao s ILE 100 Cb -0.22 -1.06 -0.13 0.00 1.25 0.00 0.00 42.46 42.30 1vao s ILE 100 CO 0.27 -0.47 -0.06 -1.20 0.24 0.00 0.00 174.94 173.72 1vao n SER 101 N 0.96 1.88 0.00 4.36 7.64 -1.26 -2.24 113.62 124.95 1vao n SER 101 Ca -0.19 0.43 0.00 0.00 1.01 0.00 0.00 58.87 60.12 1vao n SER 101 Cb 0.56 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 1vao n SER 101 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1vao n ILE 102 N -4.42 0.00 -0.71 0.44 2.08 -1.26 -1.75 119.36 113.73 1vao n ILE 102 Ca -0.31 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.00 1vao n ILE 102 Cb 0.64 -0.29 0.00 0.00 -0.75 0.00 0.00 39.64 39.24 1vao n ILE 102 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1vao n GLY 103 N 1.55 0.70 1.24 7.39 0.00 -1.26 -4.93 105.19 109.88 1vao n GLY 103 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1vao n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vao n ARG 104 N -2.54 1.42 -0.32 1.61 1.74 -1.26 -3.23 116.66 114.09 1vao n ARG 104 Ca 0.00 -0.77 0.00 0.00 -0.77 0.00 0.00 57.85 56.31 1vao n ARG 104 Cb 0.00 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 1vao n ARG 104 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1vao n ASN 105 N 0.09 4.45 -4.63 0.55 5.15 -1.26 -4.89 115.26 114.73 1vao n ASN 105 Ca 0.14 -2.23 -0.36 0.00 -0.60 0.00 0.00 54.58 51.52 1vao n ASN 105 Cb 0.75 -0.89 0.08 0.00 -0.53 0.00 0.00 39.78 39.18 1vao n ASN 105 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1vao n SER 106 N 1.17 0.68 0.00 1.20 7.64 -1.26 -0.66 113.62 122.39 1vao n SER 106 Ca 0.00 0.71 0.00 0.00 1.01 0.00 0.00 58.87 60.59 1vao n SER 106 Cb 0.49 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 1vao n SER 106 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vao n GLY 107 N 1.12 3.23 0.00 0.23 0.00 -1.24 -4.66 105.19 103.88 1vao n GLY 107 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1vao n GLY 107 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1vao n TYR 108 N -1.73 0.00 0.00 1.61 4.01 0.17 -2.72 117.16 118.50 1vao n TYR 108 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1vao n TYR 108 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1vao n TYR 108 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1vao n GLY 109 N 0.00 1.35 7.00 2.72 0.00 -0.76 -1.54 105.19 113.97 1vao n GLY 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1vao n GLY 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vao n GLY 110 N 0.00 0.20 0.21 -0.02 0.00 -0.05 -3.37 105.19 102.17 1vao n GLY 110 Ca 0.00 -0.93 0.15 0.00 0.00 0.00 0.00 46.02 45.24 1vao n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vao h ALA 111 N -0.32 1.00 -2.72 4.61 0.00 -1.71 -3.39 119.26 116.73 1vao h ALA 111 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 1vao h ALA 111 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 17.79 17.90 1vao h ALA 111 CO 0.00 0.00 0.64 0.00 0.00 0.00 0.00 179.25 179.89 1vao n ALA 112 N -1.97 1.84 -1.97 0.00 0.00 -1.22 -4.76 120.51 112.43 1vao n ALA 112 Ca 0.02 0.35 -0.38 0.00 0.00 0.00 0.00 53.44 53.43 1vao n ALA 112 Cb 0.31 -2.34 -0.06 0.00 0.00 0.00 0.00 19.45 17.36 1vao n ALA 112 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1vao s PRO 113 N -1.94 4.49 0.19 0.00 0.04 -1.26 -4.96 135.00 131.56 1vao s PRO 113 Ca 0.55 1.11 -0.12 0.00 0.04 0.00 0.00 61.00 62.58 1vao s PRO 113 Cb -0.52 -3.06 0.11 0.00 0.04 0.00 0.00 34.50 31.07 1vao s PRO 113 CO 0.63 0.46 1.83 -0.09 0.04 0.00 0.00 177.00 179.87 1vao h ARG 114 N 3.83 0.88 -5.08 4.56 1.12 -1.95 -3.40 114.38 114.34 1vao h ARG 114 Ca -0.47 -0.08 -0.66 0.00 -1.11 0.00 0.00 59.98 57.66 1vao h ARG 114 Cb 1.20 -0.19 -0.16 0.00 -0.01 0.00 0.00 29.97 30.81 1vao h ARG 114 CO 0.66 0.62 -0.17 0.08 -3.11 0.00 0.00 179.97 178.05 1vao s VAL 115 N -6.01 5.09 0.47 0.20 1.01 -1.26 -4.97 120.40 114.94 1vao s VAL 115 Ca -0.13 0.14 -0.23 0.00 0.00 0.00 0.00 61.98 61.76 1vao s VAL 115 Cb 0.14 -3.91 -0.07 0.00 0.00 0.00 0.00 36.38 32.53 1vao s VAL 115 CO 0.77 -0.19 1.23 -0.44 0.00 0.00 0.00 175.10 176.47 1vao s SER 116 N 1.76 5.96 0.00 3.32 0.01 -1.26 -3.09 113.70 120.40 1vao s SER 116 Ca 0.15 2.46 0.00 0.00 1.31 0.00 0.00 55.95 59.87 1vao s SER 116 Cb -0.16 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.45 1vao s SER 116 CO 0.13 -1.07 0.00 0.61 0.41 0.00 0.00 173.24 173.32 1vao n GLY 117 N 0.55 0.55 3.72 3.44 0.00 0.89 -4.23 105.19 110.10 1vao n GLY 117 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1vao n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vao s SER 118 N -2.51 3.64 -0.07 1.61 0.01 -1.18 -3.18 113.70 112.03 1vao s SER 118 Ca 0.00 1.71 -0.18 0.00 1.31 0.00 0.00 55.95 58.78 1vao s SER 118 Cb 0.00 -2.36 -0.05 0.00 0.21 0.00 0.00 66.02 63.82 1vao s SER 118 CO 0.00 -2.57 0.50 -0.69 0.41 0.00 0.00 173.24 170.90 1vao s VAL 119 N -2.86 5.08 -0.14 3.43 1.01 -0.61 -0.23 120.40 126.08 1vao s VAL 119 Ca 0.63 1.02 -0.18 0.00 0.00 0.00 0.00 61.98 63.45 1vao s VAL 119 Cb -0.19 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1vao s VAL 119 CO 0.57 0.39 0.49 -0.69 0.00 0.00 0.00 175.10 175.86 1vao s VAL 120 N 0.14 5.17 -0.51 2.92 1.01 -0.33 -1.26 120.40 127.54 1vao s VAL 120 Ca 0.27 0.96 -0.14 0.00 0.00 0.00 0.00 61.98 63.07 1vao s VAL 120 Cb -0.16 -3.83 0.12 0.00 0.00 0.00 0.00 36.38 32.51 1vao s VAL 120 CO 0.13 0.28 0.44 -0.22 0.00 0.00 0.00 175.10 175.73 1vao s LEU 121 N 0.91 5.96 -0.62 3.92 2.96 0.65 -0.32 118.68 132.14 1vao s LEU 121 Ca 0.25 -1.77 -0.23 0.00 -0.22 0.00 0.00 54.13 52.16 1vao s LEU 121 Cb -0.15 -2.14 0.06 0.00 0.50 0.00 0.00 46.19 44.46 1vao s LEU 121 CO 0.10 -0.78 0.94 1.51 -1.32 0.00 0.00 176.35 176.80 1vao s ASP 122 N 3.19 6.21 0.16 3.68 -4.77 -0.74 -2.46 116.67 121.93 1vao s ASP 122 Ca 0.04 -0.85 -0.12 0.00 -3.30 0.00 0.00 52.55 48.32 1vao s ASP 122 Cb -0.28 -2.41 0.04 0.00 -1.09 0.00 0.00 42.92 39.18 1vao s ASP 122 CO 0.02 -1.36 1.66 0.24 0.70 0.00 0.00 175.17 176.43 1vao h MET 123 N 9.47 0.85 -0.10 2.11 2.86 -1.67 -3.23 114.93 125.22 1vao h MET 123 Ca -0.28 -0.21 0.03 0.00 -2.06 0.00 0.00 59.70 57.18 1vao h MET 123 Cb 1.07 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.62 1vao h MET 123 CO 1.15 0.81 0.09 0.78 1.06 0.00 0.00 176.91 180.80 1vao h GLY 124 N 0.75 0.00 0.90 8.32 0.00 -1.49 -2.11 103.07 109.44 1vao h GLY 124 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.47 1vao h GLY 124 CO 0.00 0.00 -0.35 1.70 0.00 0.00 0.00 176.54 177.89 1vao h LYS 125 N 0.00 -0.87 0.00 4.80 3.64 -1.78 -3.32 116.57 119.03 1vao h LYS 125 Ca 0.05 0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.37 1vao h LYS 125 Cb 0.22 0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 1vao h LYS 125 CO -0.00 -0.58 -1.55 0.09 -2.27 0.00 0.00 179.45 175.14 1vao n ASN 126 N -5.50 0.59 -2.96 4.20 3.02 -1.24 -4.47 115.26 108.90 1vao n ASN 126 Ca -0.13 0.25 -0.36 0.00 -0.03 0.00 0.00 54.58 54.31 1vao n ASN 126 Cb 0.38 0.68 -0.00 0.00 -0.61 0.00 0.00 39.78 40.23 1vao n ASN 126 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1vao n MET 127 N -2.70 3.30 -0.02 3.52 2.81 -0.79 -4.77 117.12 118.47 1vao n MET 127 Ca -0.09 -3.29 0.13 0.00 -1.81 0.00 0.00 57.70 52.63 1vao n MET 127 Cb 0.76 -2.31 0.64 0.00 -0.71 0.00 0.00 33.22 31.60 1vao n MET 127 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1vao n ASN 128 N 0.31 0.70 -4.75 7.83 5.03 -1.25 -1.18 115.26 121.96 1vao n ASN 128 Ca 0.52 -1.36 -0.41 0.00 0.87 0.00 0.00 54.58 54.20 1vao n ASN 128 Cb 0.35 -0.02 -0.05 0.00 -1.02 0.00 0.00 39.78 39.04 1vao n ASN 128 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1vao s ARG 129 N -1.96 4.68 -0.49 3.52 0.52 -1.26 -4.16 118.95 119.80 1vao s ARG 129 Ca 0.38 1.67 -0.28 0.00 -0.52 0.00 0.00 55.73 56.97 1vao s ARG 129 Cb 0.19 -3.26 0.03 0.00 0.52 0.00 0.00 34.95 32.43 1vao s ARG 129 CO 0.30 0.24 1.12 0.08 0.02 0.00 0.00 175.30 177.06 1vao s VAL 130 N -0.73 4.21 -0.19 3.52 1.01 -1.26 -3.11 120.40 123.85 1vao s VAL 130 Ca 0.46 1.12 0.21 0.00 0.00 0.00 0.00 61.98 63.76 1vao s VAL 130 Cb -0.29 -4.60 0.21 0.00 0.00 0.00 0.00 36.38 31.70 1vao s VAL 130 CO 0.36 -1.04 1.61 -0.07 0.00 0.00 0.00 175.10 175.95 1vao h LEU 131 N 11.25 0.00 -7.00 3.92 3.38 -1.31 -3.47 115.31 122.08 1vao h LEU 131 Ca -0.23 0.00 0.24 0.00 0.09 0.00 0.00 57.88 57.97 1vao h LEU 131 Cb 1.06 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.52 1vao h LEU 131 CO 1.13 0.24 0.96 -0.70 0.09 0.00 0.00 178.44 180.15 1vao s GLU 132 N -3.22 0.04 -0.22 1.13 2.12 -1.08 -4.89 118.70 112.58 1vao s GLU 132 Ca 0.04 0.02 -0.02 0.00 0.36 0.00 0.00 54.97 55.37 1vao s GLU 132 Cb 0.07 0.02 0.07 0.00 0.26 0.00 0.00 34.13 34.55 1vao s GLU 132 CO 0.69 -0.01 0.03 0.08 -0.54 0.00 0.00 175.26 175.51 1vao s VAL 133 N -0.73 0.72 -0.37 3.70 1.01 -1.26 -0.28 120.40 123.18 1vao s VAL 133 Ca 0.09 -0.79 -0.13 0.00 0.00 0.00 0.00 61.98 61.14 1vao s VAL 133 Cb -0.02 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 35.12 1vao s VAL 133 CO -0.11 -0.27 0.26 0.21 0.00 0.00 0.00 175.10 175.19 1vao s ASN 134 N 1.76 6.04 0.04 3.32 3.84 0.35 -4.96 114.94 125.33 1vao s ASN 134 Ca 0.00 -0.65 -0.19 0.00 0.21 0.00 0.00 52.86 52.23 1vao s ASN 134 Cb -0.17 -2.14 -0.16 0.00 -0.55 0.00 0.00 41.25 38.23 1vao s ASN 134 CO -0.11 -0.33 1.28 0.58 -2.79 0.00 0.00 177.10 175.73 1vao h VAL 135 N 5.58 1.37 -0.45 -5.21 2.07 -1.96 0.59 116.25 118.24 1vao h VAL 135 Ca -0.29 -1.61 -0.13 0.00 0.82 0.00 0.00 66.70 65.49 1vao h VAL 135 Cb 1.14 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 1vao h VAL 135 CO 0.67 0.48 -0.21 1.05 0.02 0.00 0.00 177.57 179.59 1vao h GLU 136 N 0.06 0.93 0.00 1.57 4.11 -1.97 -2.59 114.58 116.70 1vao h GLU 136 Ca -0.00 -0.40 0.00 0.00 0.07 0.00 0.00 59.36 59.02 1vao h GLU 136 Cb 0.93 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1vao h GLU 136 CO 0.07 1.07 0.00 0.78 0.07 0.00 0.00 179.01 181.00 1vao h GLY 137 N 0.77 0.00 -5.57 1.06 0.00 -2.00 -3.48 103.07 93.86 1vao h GLY 137 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.14 1vao h GLY 137 CO 0.06 0.00 -0.83 0.00 0.00 0.00 0.00 176.54 175.77 1vao n ALA 138 N -2.09 -2.31 -3.01 3.60 0.00 0.18 -4.87 120.51 112.02 1vao n ALA 138 Ca 0.03 0.05 -0.10 0.00 0.00 0.00 0.00 53.44 53.42 1vao n ALA 138 Cb 0.45 -4.45 -0.06 0.00 0.00 0.00 0.00 19.45 15.40 1vao n ALA 138 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1vao s TYR 139 N -3.39 0.54 0.09 0.00 -0.85 0.17 -0.01 117.35 113.90 1vao s TYR 139 Ca 0.29 -0.87 -0.00 0.00 -0.52 0.00 0.00 57.07 55.96 1vao s TYR 139 Cb -0.04 0.06 -0.04 0.00 0.38 0.00 0.00 41.96 42.31 1vao s TYR 139 CO 0.74 -0.95 -0.01 0.00 -1.52 0.00 0.00 175.55 173.81 1vao s VAL 141 N -3.89 0.79 0.06 0.00 1.01 0.61 -1.79 120.40 117.19 1vao s VAL 141 Ca 0.15 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 61.78 1vao s VAL 141 Cb 0.07 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 1vao s VAL 141 CO -0.04 0.27 0.04 0.54 0.00 0.00 0.00 175.10 175.90 1vao s VAL 142 N 0.53 0.18 0.18 2.92 0.11 0.95 -0.74 120.40 124.53 1vao s VAL 142 Ca -0.09 -1.50 0.02 0.00 -2.93 0.00 0.00 61.98 57.47 1vao s VAL 142 Cb -0.12 -1.31 -0.04 0.00 -1.53 0.00 0.00 36.38 33.38 1vao s VAL 142 CO 0.01 -0.83 0.33 -1.61 -3.33 0.00 0.00 175.10 169.67 1vao s GLU 143 N -3.57 3.46 0.25 1.54 2.02 -1.18 -0.19 118.70 121.04 1vao s GLU 143 Ca 0.03 -0.53 -0.03 0.00 0.02 0.00 0.00 54.97 54.46 1vao s GLU 143 Cb 0.05 -2.92 0.45 0.00 0.10 0.00 0.00 34.13 31.81 1vao s GLU 143 CO -0.09 0.47 1.80 -1.35 0.02 0.00 0.00 175.26 176.11 1vao h PRO 144 N 1.99 0.72 0.00 0.39 0.11 -1.73 -1.55 132.00 131.93 1vao h PRO 144 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1vao h PRO 144 Cb 1.20 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1vao h PRO 144 CO 0.68 0.48 0.00 0.41 -0.21 0.00 0.00 178.00 179.35 1vao n GLY 145 N -1.32 -0.31 3.55 -0.55 0.00 -0.32 -4.54 105.19 101.71 1vao n GLY 145 Ca 0.15 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1vao n GLY 145 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vao s VAL 146 N -2.36 3.97 0.74 1.61 1.01 -0.58 -4.74 120.40 120.05 1vao s VAL 146 Ca 0.05 0.56 -0.08 0.00 0.00 0.00 0.00 61.98 62.50 1vao s VAL 146 Cb 0.03 -4.78 0.07 0.00 0.00 0.00 0.00 36.38 31.70 1vao s VAL 146 CO 0.06 -1.52 1.06 0.42 0.00 0.00 0.00 175.10 175.12 1vao s THR 147 N 5.08 2.19 0.16 3.92 -4.23 -1.26 -1.54 115.64 119.96 1vao s THR 147 Ca 0.37 -0.19 -0.15 0.00 -1.18 0.00 0.00 61.69 60.54 1vao s THR 147 Cb -0.09 -3.00 0.04 0.00 1.34 0.00 0.00 72.50 70.79 1vao s THR 147 CO 0.20 0.00 1.78 1.88 -0.54 0.00 0.00 174.62 177.93 1vao h TYR 148 N -0.74 0.66 -0.04 3.99 0.05 -1.03 0.37 116.97 120.23 1vao h TYR 148 Ca -0.45 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.33 1vao h TYR 148 Cb 1.32 -0.21 -0.00 0.00 1.01 0.00 0.00 36.73 38.84 1vao h TYR 148 CO 0.31 0.48 0.01 1.25 -1.05 0.00 0.00 178.16 179.16 1vao h HIS 149 N 0.64 0.02 -0.24 4.88 2.76 -1.76 -1.23 115.15 120.21 1vao h HIS 149 Ca 0.17 0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.40 1vao h HIS 149 Cb 0.03 -0.00 -0.07 0.00 1.55 0.00 0.00 27.41 28.92 1vao h HIS 149 CO -0.02 0.01 -0.19 -0.44 -1.30 0.00 0.00 177.93 175.98 1vao h ASP 150 N 0.03 -0.62 -0.77 3.26 3.32 -1.84 0.55 116.42 120.35 1vao h ASP 150 Ca 0.02 0.12 0.07 0.00 0.02 0.00 0.00 57.03 57.26 1vao h ASP 150 Cb 0.01 0.31 -0.05 0.00 0.22 0.00 0.00 39.33 39.82 1vao h ASP 150 CO -0.02 -0.23 0.50 0.25 -1.72 0.00 0.00 179.24 178.02 1vao h LEU 151 N -0.19 0.72 0.23 1.55 5.85 -0.05 0.13 115.31 123.55 1vao h LEU 151 Ca 0.14 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1vao h LEU 151 Cb 0.39 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1vao h LEU 151 CO -0.35 0.46 -0.11 -0.74 -0.34 0.00 0.00 178.44 177.36 1vao h HIS 152 N 0.81 -0.28 -0.39 1.25 2.76 0.20 -0.48 115.15 119.02 1vao h HIS 152 Ca 0.33 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.49 1vao h HIS 152 Cb 0.25 0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.29 1vao h HIS 152 CO -0.00 -0.04 0.23 -0.91 -1.30 0.00 0.00 177.93 175.92 1vao h ASN 153 N -0.50 0.46 -0.07 3.26 2.35 0.46 0.51 115.58 122.05 1vao h ASN 153 Ca -0.03 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1vao h ASN 153 Cb 0.38 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.63 1vao h ASN 153 CO 0.05 0.36 0.03 0.22 -1.65 0.00 0.00 177.43 176.44 1vao h TYR 154 N 0.54 0.10 -0.82 1.19 3.20 -0.31 -1.56 116.97 119.31 1vao h TYR 154 Ca 0.14 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 1vao h TYR 154 Cb -0.02 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.19 1vao h TYR 154 CO 0.00 0.17 0.39 -0.07 -1.64 0.00 0.00 178.16 177.01 1vao h LEU 155 N -0.01 1.07 0.67 2.82 3.38 0.43 -2.99 115.31 120.68 1vao h LEU 155 Ca 0.02 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1vao h LEU 155 Cb 0.11 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.59 1vao h LEU 155 CO -0.00 0.90 -0.33 -0.08 0.09 0.00 0.00 178.44 179.02 1vao h GLU 156 N 1.17 -0.87 0.00 1.13 4.81 -0.72 1.24 114.58 121.33 1vao h GLU 156 Ca 0.28 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1vao h GLU 156 Cb 0.12 0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1vao h GLU 156 CO -0.03 -0.58 0.00 0.00 -0.73 0.00 0.00 179.01 177.66 1vao n ALA 157 N -2.49 2.06 -1.29 2.92 0.00 -0.61 0.26 120.51 121.36 1vao n ALA 157 Ca -0.14 -0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.28 1vao n ALA 157 Cb 0.37 -1.13 0.03 0.00 0.00 0.00 0.00 19.45 18.73 1vao n ALA 157 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1vao n ASN 158 N -0.74 0.82 -1.42 0.00 4.13 -1.08 -4.99 115.26 111.99 1vao n ASN 158 Ca 0.06 -2.03 -0.10 0.00 1.68 0.00 0.00 54.58 54.19 1vao n ASN 158 Cb 0.03 -0.18 -0.04 0.00 -1.54 0.00 0.00 39.78 38.04 1vao n ASN 158 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1vao n ASN 159 N -0.41 -2.76 0.00 6.41 3.02 0.14 -4.82 115.26 116.85 1vao n ASN 159 Ca 0.04 0.25 0.13 0.00 -0.03 0.00 0.00 54.58 54.97 1vao n ASN 159 Cb 0.58 -2.66 0.73 0.00 -0.61 0.00 0.00 39.78 37.83 1vao n ASN 159 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1vao n LEU 160 N -1.79 0.00 -0.31 3.41 4.77 0.41 -4.10 117.00 119.39 1vao n LEU 160 Ca -0.10 0.13 0.11 0.00 -0.03 0.00 0.00 56.01 56.12 1vao n LEU 160 Cb 0.36 -0.13 0.34 0.00 -2.33 0.00 0.00 43.42 41.66 1vao n LEU 160 CO 0.15 -0.02 1.22 0.03 -1.33 0.00 0.00 177.39 177.44 1vao h ARG 161 N 0.00 0.74 0.00 3.23 3.08 -1.79 -1.54 114.38 118.10 1vao h ARG 161 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1vao h ARG 161 Cb 0.11 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1vao h ARG 161 CO 0.00 0.49 0.00 -0.25 -1.07 0.00 0.00 179.97 179.14 1vao n ASP 162 N -4.61 0.47 -0.08 7.04 8.00 -1.26 -3.80 116.55 122.30 1vao n ASP 162 Ca 0.19 0.57 -0.10 0.00 0.71 0.00 0.00 54.79 56.16 1vao n ASP 162 Cb 0.48 -0.69 -0.09 0.00 -0.02 0.00 0.00 41.12 40.80 1vao n ASP 162 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1vao n LYS 163 N -1.97 0.92 -4.20 -1.24 5.02 -0.74 -4.56 118.16 111.40 1vao n LYS 163 Ca 0.05 0.06 -0.17 0.00 -2.02 0.00 0.00 58.31 56.23 1vao n LYS 163 Cb 0.31 -1.35 -0.15 0.00 -0.02 0.00 0.00 35.03 33.83 1vao n LYS 163 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1vao s LEU 164 N -5.65 1.95 -0.10 -0.35 1.43 -0.66 -0.62 118.68 114.68 1vao s LEU 164 Ca -0.17 -0.11 -0.05 0.00 -1.03 0.00 0.00 54.13 52.77 1vao s LEU 164 Cb 0.05 -0.32 -0.04 0.00 0.03 0.00 0.00 46.19 45.92 1vao s LEU 164 CO 0.46 0.06 0.10 0.26 0.23 0.00 0.00 176.35 177.46 1vao s TRP 165 N -0.05 3.47 0.89 0.29 0.52 0.57 -4.55 118.94 120.07 1vao s TRP 165 Ca 0.01 0.42 -0.14 0.00 0.02 0.00 0.00 56.10 56.41 1vao s TRP 165 Cb -0.03 -1.89 0.15 0.00 -1.15 0.00 0.00 33.47 30.55 1vao s TRP 165 CO -0.00 0.66 1.25 -0.51 0.02 0.00 0.00 176.95 178.37 1vao s LEU 166 N -1.06 2.66 -0.18 2.99 1.43 -1.26 -3.08 118.68 120.18 1vao s LEU 166 Ca 0.15 0.41 -0.04 0.00 -1.03 0.00 0.00 54.13 53.63 1vao s LEU 166 Cb -0.12 -2.63 0.08 0.00 0.03 0.00 0.00 46.19 43.55 1vao s LEU 166 CO 0.05 -2.39 0.18 -0.62 0.23 0.00 0.00 176.35 173.79 1vao s ASP 167 N -4.77 1.56 0.16 2.29 -1.08 -1.26 -3.66 116.67 109.90 1vao s ASP 167 Ca 0.69 -0.26 0.06 0.00 -0.52 0.00 0.00 52.55 52.52 1vao s ASP 167 Cb -0.06 0.21 -0.04 0.00 -1.46 0.00 0.00 42.92 41.57 1vao s ASP 167 CO 0.51 -0.32 0.06 0.68 0.52 0.00 0.00 175.17 176.62 1vao s VAL 168 N 2.27 4.10 0.18 1.11 -7.23 -1.26 -4.94 120.40 114.64 1vao s VAL 168 Ca 0.05 -1.22 -0.01 0.00 -1.81 0.00 0.00 61.98 58.99 1vao s VAL 168 Cb -0.15 -3.07 0.04 0.00 0.56 0.00 0.00 36.38 33.76 1vao s VAL 168 CO -0.11 -0.09 0.25 -0.81 -0.31 0.00 0.00 175.10 174.04 1vao n PRO 169 N -0.15 0.17 -0.22 4.82 -0.05 -1.26 -2.79 135.00 135.51 1vao n PRO 169 Ca -0.09 -0.54 0.12 0.00 -0.05 0.00 0.00 63.50 62.94 1vao n PRO 169 Cb 0.55 -0.21 0.41 0.00 -0.05 0.00 0.00 33.50 34.20 1vao n PRO 169 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 175.50 175.01 1vao h ASP 170 N -0.23 0.58 -2.75 3.54 3.32 -1.99 -3.44 116.42 115.45 1vao h ASP 170 Ca -0.08 0.03 -0.58 0.00 0.02 0.00 0.00 57.03 56.42 1vao h ASP 170 Cb 0.27 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.66 1vao h ASP 170 CO 0.07 0.32 -0.55 -0.76 -1.72 0.00 0.00 179.24 176.60 1vao s LEU 171 N -9.66 3.91 0.20 1.55 1.43 -1.26 -4.59 118.68 110.26 1vao s LEU 171 Ca -0.09 -0.05 0.18 0.00 -1.03 0.00 0.00 54.13 53.13 1vao s LEU 171 Cb 0.21 -2.52 0.01 0.00 0.03 0.00 0.00 46.19 43.91 1vao s LEU 171 CO 0.78 0.08 1.16 1.23 0.23 0.00 0.00 176.35 179.84 1vao h GLY 172 N 2.51 0.00 2.00 -3.19 0.00 -1.34 -3.40 103.07 99.65 1vao h GLY 172 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1vao h GLY 172 CO 0.65 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.80 1vao n GLY 173 N 1.27 -1.30 3.66 4.60 0.00 -1.26 -2.36 105.19 109.79 1vao n GLY 173 Ca -0.02 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 1vao n GLY 173 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1vao s GLY 174 N -3.04 1.60 -0.02 -0.02 0.00 -1.26 -4.66 107.32 99.93 1vao s GLY 174 Ca 0.11 -0.03 -0.22 0.00 0.00 0.00 0.00 44.72 44.58 1vao s GLY 174 CO 0.42 0.52 0.64 -0.45 0.00 0.00 0.00 173.10 174.23 1vao s SER 175 N -3.12 7.00 0.34 1.64 0.15 -1.26 -0.95 113.70 117.49 1vao s SER 175 Ca 0.65 1.20 0.04 0.00 0.70 0.00 0.00 55.95 58.54 1vao s SER 175 Cb -0.20 -2.39 0.60 0.00 -1.71 0.00 0.00 66.02 62.32 1vao s SER 175 CO 0.59 0.03 1.88 0.58 1.20 0.00 0.00 173.24 177.52 1vao h VAL 176 N 4.32 1.19 0.22 4.45 2.07 -1.55 -2.10 116.25 124.85 1vao h VAL 176 Ca -0.44 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.33 1vao h VAL 176 Cb 1.20 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1vao h VAL 176 CO 0.72 0.26 -0.10 0.25 0.02 0.00 0.00 177.57 178.71 1vao h LEU 177 N 0.53 -0.25 -0.85 2.57 5.85 -1.85 -3.07 115.31 118.24 1vao h LEU 177 Ca 0.12 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.61 1vao h LEU 177 Cb 0.30 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 1vao h LEU 177 CO 0.01 0.26 0.54 1.23 -0.34 0.00 0.00 178.44 180.14 1vao h GLY 178 N -0.89 1.24 0.87 3.75 0.00 -1.86 -1.26 103.07 104.91 1vao h GLY 178 Ca -0.03 -0.41 0.03 0.00 0.00 0.00 0.00 47.33 46.92 1vao h GLY 178 CO 0.05 0.33 0.35 -0.57 0.00 0.00 0.00 176.54 176.71 1vao h ASN 179 N 1.04 0.57 -0.36 0.19 -0.73 -1.51 -2.10 115.58 112.69 1vao h ASN 179 Ca 0.34 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.50 1vao h ASN 179 Cb 0.04 -0.12 -0.02 0.00 0.27 0.00 0.00 38.32 38.49 1vao h ASN 179 CO -0.13 0.40 0.17 0.00 -0.37 0.00 0.00 177.43 177.50 1vao h ALA 180 N 1.25 1.54 -0.44 1.57 0.00 -1.17 0.17 119.26 122.19 1vao h ALA 180 Ca 0.23 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 1vao h ALA 180 Cb 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1vao h ALA 180 CO -0.10 0.36 -0.22 -0.39 0.00 0.00 0.00 179.25 178.90 1vao h VAL 181 N 0.57 1.27 0.00 0.00 -1.51 -0.80 -1.88 116.25 113.91 1vao h VAL 181 Ca 0.14 -1.38 0.00 0.00 -1.23 0.00 0.00 66.70 64.23 1vao h VAL 181 Cb 0.10 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 30.48 1vao h VAL 181 CO -0.02 0.47 0.00 -0.62 -1.23 0.00 0.00 177.57 176.17 1vao n GLU 182 N -4.16 0.00 -2.54 5.19 -0.58 -0.82 -2.77 120.64 114.96 1vao n GLU 182 Ca -0.01 0.27 -0.09 0.00 -0.42 0.00 0.00 57.16 56.91 1vao n GLU 182 Cb 0.45 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.84 1vao n GLU 182 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1vao n ARG 183 N -1.50 -1.95 -0.38 3.49 1.74 -0.61 -4.84 116.66 112.61 1vao n ARG 183 Ca 0.03 0.40 -0.25 0.00 -0.77 0.00 0.00 57.85 57.26 1vao n ARG 183 Cb 0.15 -4.20 0.23 0.00 -1.02 0.00 0.00 32.46 27.62 1vao n ARG 183 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vao n GLY 184 N -1.07 -3.14 3.14 -0.13 0.00 0.51 -4.78 105.19 99.72 1vao n GLY 184 Ca -0.06 -1.26 -0.11 0.00 0.00 0.00 0.00 46.02 44.59 1vao n GLY 184 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vao s VAL 185 N -2.11 0.08 0.28 1.61 1.01 -1.26 -3.41 120.40 116.60 1vao s VAL 185 Ca 0.53 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.85 1vao s VAL 185 Cb -0.10 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 1vao s VAL 185 CO 0.47 -0.38 0.22 -0.83 0.00 0.00 0.00 175.10 174.57 1vao s GLY 186 N -1.48 1.95 0.00 4.51 0.00 -0.99 -4.23 107.32 107.09 1vao s GLY 186 Ca -0.13 -1.91 0.26 0.00 0.00 0.00 0.00 44.72 42.94 1vao s GLY 186 CO 0.01 -1.44 1.59 -1.72 0.00 0.00 0.00 173.10 171.55 1vao n TYR 187 N -0.48 0.02 -1.50 1.90 4.01 -1.12 -4.22 117.16 115.78 1vao n TYR 187 Ca 0.05 -0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1vao n TYR 187 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.67 1vao n TYR 187 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1vao n THR 188 N 0.54 0.00 0.60 -0.72 -2.24 -1.26 -2.73 114.28 108.47 1vao n THR 188 Ca 0.17 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.05 1vao n THR 188 Cb 0.43 -1.61 0.41 0.00 -2.10 0.00 0.00 70.33 67.46 1vao n THR 188 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1vao n PRO 189 N -0.72 0.05 -1.12 -0.78 -0.02 -1.26 -2.30 135.00 128.84 1vao n PRO 189 Ca 0.00 0.22 -0.19 0.00 -2.02 0.00 0.00 63.50 61.51 1vao n PRO 189 Cb 0.00 -1.58 0.20 0.00 -0.02 0.00 0.00 33.50 32.10 1vao n PRO 189 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1vao n TYR 190 N -1.66 2.79 -0.08 6.00 4.02 -1.26 -4.72 117.16 122.25 1vao n TYR 190 Ca 0.04 -1.63 0.02 0.00 -0.01 0.00 0.00 57.90 56.32 1vao n TYR 190 Cb 0.23 -0.86 0.34 0.00 -0.02 0.00 0.00 39.34 39.03 1vao n TYR 190 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1vao h GLY 191 N 1.55 0.75 -7.26 2.72 0.00 -1.63 -3.38 103.07 95.82 1vao h GLY 191 Ca 0.52 -0.31 -0.32 0.00 0.00 0.00 0.00 47.33 47.23 1vao h GLY 191 CO 0.97 0.30 0.84 -0.35 0.00 0.00 0.00 176.54 178.30 1vao s ASP 192 N -6.58 5.22 0.14 0.19 -1.08 -1.26 -2.34 116.67 110.96 1vao s ASP 192 Ca -0.09 -0.89 -0.25 0.00 -0.52 0.00 0.00 52.55 50.80 1vao s ASP 192 Cb 0.17 -2.57 -0.01 0.00 -1.46 0.00 0.00 42.92 39.06 1vao s ASP 192 CO 0.76 -2.71 1.62 0.45 0.52 0.00 0.00 175.17 175.80 1vao h HIS 193 N 10.93 -0.82 -0.78 -5.34 3.86 -1.73 -2.63 115.15 118.64 1vao h HIS 193 Ca 0.12 0.04 0.08 0.00 -1.16 0.00 0.00 60.37 59.45 1vao h HIS 193 Cb 0.99 0.38 -0.06 0.00 1.06 0.00 0.00 27.41 29.78 1vao h HIS 193 CO 1.22 -0.38 0.45 2.35 0.86 0.00 0.00 177.93 182.44 1vao h TRP 194 N -0.35 0.83 0.00 2.45 2.91 -1.78 0.17 115.95 120.18 1vao h TRP 194 Ca 0.11 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.15 1vao h TRP 194 Cb 0.52 -0.26 0.00 0.00 -0.51 0.00 0.00 29.16 28.92 1vao h TRP 194 CO -0.40 0.37 0.00 -1.33 -1.03 0.00 0.00 178.44 176.05 1vao n MET 195 N -4.73 0.08 0.00 2.65 2.81 -1.01 -2.53 117.12 114.39 1vao n MET 195 Ca 0.12 0.26 0.12 0.00 -1.81 0.00 0.00 57.70 56.39 1vao n MET 195 Cb 0.22 -1.50 0.19 0.00 -0.71 0.00 0.00 33.22 31.42 1vao n MET 195 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1vao n MET 196 N -1.35 0.90 -2.55 0.03 2.81 0.05 -4.99 117.12 112.02 1vao n MET 196 Ca 0.03 -0.65 -0.32 0.00 -1.81 0.00 0.00 57.70 54.96 1vao n MET 196 Cb 0.07 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 31.05 1vao n MET 196 CO 0.00 0.00 0.00 -3.38 1.51 0.00 0.00 175.97 174.10 1vao s HIS 197 N -2.54 3.45 -0.23 2.03 -3.43 -1.05 0.70 115.29 114.21 1vao s HIS 197 Ca 0.20 1.36 -0.13 0.00 -0.80 0.00 0.00 55.06 55.70 1vao s HIS 197 Cb 0.19 -2.70 0.07 0.00 -1.43 0.00 0.00 32.58 28.71 1vao s HIS 197 CO 0.57 -0.28 0.57 0.45 -2.00 0.00 0.00 174.74 174.05 1vao s SER 198 N -3.03 -0.77 -0.01 7.38 0.15 0.15 -4.71 113.70 112.86 1vao s SER 198 Ca 0.57 1.26 -0.02 0.00 0.70 0.00 0.00 55.95 58.46 1vao s SER 198 Cb -0.10 1.14 0.01 0.00 -1.71 0.00 0.00 66.02 65.36 1vao s SER 198 CO 0.30 -0.22 0.04 0.61 1.20 0.00 0.00 173.24 175.17 1vao n GLY 199 N 4.32 -5.14 3.22 9.45 0.00 -1.13 -2.92 105.19 112.99 1vao n GLY 199 Ca -0.21 0.35 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 1vao n GLY 199 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1vao s MET 200 N -0.55 0.98 -0.11 1.61 0.00 -1.26 -2.33 119.30 117.64 1vao s MET 200 Ca -0.05 -1.33 -0.00 0.00 0.00 0.00 0.00 55.69 54.31 1vao s MET 200 Cb 0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 34.83 34.19 1vao s MET 200 CO 0.12 0.09 -0.09 -2.00 0.00 0.00 0.00 175.02 173.14 1vao s GLU 201 N -3.31 3.19 0.02 3.16 2.12 -0.55 -0.50 118.70 122.83 1vao s GLU 201 Ca 0.12 -0.60 0.00 0.00 0.36 0.00 0.00 54.97 54.86 1vao s GLU 201 Cb -0.00 -2.67 -0.02 0.00 0.26 0.00 0.00 34.13 31.70 1vao s GLU 201 CO 0.00 0.40 -0.03 0.08 -0.54 0.00 0.00 175.26 175.17 1vao s VAL 202 N -0.11 0.16 -0.29 3.70 1.01 -0.68 0.80 120.40 124.98 1vao s VAL 202 Ca 0.00 -0.82 -0.17 0.00 0.00 0.00 0.00 61.98 60.99 1vao s VAL 202 Cb -0.13 -0.28 -0.02 0.00 0.00 0.00 0.00 36.38 35.94 1vao s VAL 202 CO 0.03 -0.42 0.47 -0.69 0.00 0.00 0.00 175.10 174.50 1vao s VAL 203 N -1.26 5.08 1.08 2.92 1.01 0.14 -1.16 120.40 128.21 1vao s VAL 203 Ca -0.13 0.60 -0.17 0.00 0.00 0.00 0.00 61.98 62.28 1vao s VAL 203 Cb -0.09 -3.84 0.23 0.00 0.00 0.00 0.00 36.38 32.69 1vao s VAL 203 CO -0.01 0.00 1.16 -0.76 0.00 0.00 0.00 175.10 175.49 1vao s LEU 204 N 2.27 1.43 0.47 3.92 1.43 0.22 -1.71 118.68 126.72 1vao s LEU 204 Ca 0.18 0.67 0.26 0.00 -1.03 0.00 0.00 54.13 54.21 1vao s LEU 204 Cb -0.16 -2.62 1.13 0.00 0.03 0.00 0.00 46.19 44.58 1vao s LEU 204 CO 0.11 -3.46 1.92 0.00 0.23 0.00 0.00 176.35 175.14 1vao h ALA 205 N -2.13 1.11 0.00 4.21 0.00 -1.81 -1.48 119.26 119.16 1vao h ALA 205 Ca -0.47 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1vao h ALA 205 Cb 1.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1vao h ALA 205 CO 0.42 0.23 0.00 0.27 0.00 0.00 0.00 179.25 180.18 1vao n ASN 206 N -3.47 0.35 0.00 0.00 0.23 -1.26 -4.91 115.26 106.20 1vao n ASN 206 Ca -0.01 0.53 0.00 0.00 -0.53 0.00 0.00 54.58 54.58 1vao n ASN 206 Cb 0.36 -0.63 0.00 0.00 -2.08 0.00 0.00 39.78 37.43 1vao n ASN 206 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1vao n GLY 207 N 1.41 0.23 3.79 4.83 0.00 -0.56 -4.91 105.19 109.99 1vao n GLY 207 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1vao n GLY 207 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vao s GLU 208 N -0.94 4.48 0.13 1.61 2.02 -1.26 -4.63 118.70 120.11 1vao s GLU 208 Ca 0.00 1.26 -0.24 0.00 0.02 0.00 0.00 54.97 56.01 1vao s GLU 208 Cb 0.00 -2.62 -0.07 0.00 0.10 0.00 0.00 34.13 31.53 1vao s GLU 208 CO 0.00 0.19 0.74 -0.51 0.02 0.00 0.00 175.26 175.70 1vao s LEU 209 N -2.37 4.56 0.03 1.80 1.43 -1.26 0.71 118.68 123.58 1vao s LEU 209 Ca 0.53 1.55 0.02 0.00 -1.03 0.00 0.00 54.13 55.20 1vao s LEU 209 Cb -0.16 -3.21 -0.02 0.00 0.03 0.00 0.00 46.19 42.83 1vao s LEU 209 CO 0.21 0.19 -0.07 -0.22 0.23 0.00 0.00 176.35 176.69 1vao s LEU 210 N -0.98 2.19 -0.04 1.79 0.20 -0.31 -4.96 118.68 116.57 1vao s LEU 210 Ca 0.35 -0.43 0.01 0.00 0.69 0.00 0.00 54.13 54.75 1vao s LEU 210 Cb -0.22 -0.18 0.02 0.00 -0.43 0.00 0.00 46.19 45.38 1vao s LEU 210 CO 0.24 -0.14 -0.05 -0.13 -0.29 0.00 0.00 176.35 175.99 1vao s ARG 211 N -1.19 0.81 0.54 1.98 0.52 -1.26 -1.69 118.95 118.67 1vao s ARG 211 Ca -0.07 -0.12 -0.04 0.00 -0.52 0.00 0.00 55.73 54.98 1vao s ARG 211 Cb -0.08 -0.81 0.00 0.00 0.52 0.00 0.00 34.95 34.58 1vao s ARG 211 CO 0.00 -0.06 0.83 0.95 0.02 0.00 0.00 175.30 177.04 1vao s THR 212 N 0.81 3.83 0.00 0.02 -4.23 0.35 -3.70 115.64 112.72 1vao s THR 212 Ca -0.11 -0.12 0.00 0.00 -1.18 0.00 0.00 61.69 60.28 1vao s THR 212 Cb -0.14 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.22 1vao s THR 212 CO 0.00 -0.46 0.00 0.61 -0.54 0.00 0.00 174.62 174.24 1vao n GLY 213 N -2.42 3.54 0.00 3.99 0.00 -1.26 -0.22 105.19 108.81 1vao n GLY 213 Ca 0.03 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.07 1vao n GLY 213 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1vao n MET 214 N 14.00 0.46 0.24 1.61 2.81 -1.26 -1.70 117.12 133.27 1vao n MET 214 Ca 0.00 0.05 0.13 0.00 -1.81 0.00 0.00 57.70 56.07 1vao n MET 214 Cb 0.00 -1.50 0.43 0.00 -0.71 0.00 0.00 33.22 31.44 1vao n MET 214 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1vao h GLY 215 N 3.53 0.00 2.00 3.03 0.00 -0.84 -2.90 103.07 107.88 1vao h GLY 215 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1vao h GLY 215 CO 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 176.54 176.34 1vao h ALA 216 N 1.91 0.87 -1.72 3.60 0.00 -1.41 -3.42 119.26 119.10 1vao h ALA 216 Ca -0.00 -0.18 -0.56 0.00 0.00 0.00 0.00 54.91 54.16 1vao h ALA 216 Cb 0.78 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 1vao h ALA 216 CO 0.01 0.25 0.97 -1.17 0.00 0.00 0.00 179.25 179.31 1vao s LEU 217 N -6.32 3.60 0.33 0.00 1.98 -1.10 -4.98 118.68 112.19 1vao s LEU 217 Ca 0.06 0.50 -0.28 0.00 -2.89 0.00 0.00 54.13 51.51 1vao s LEU 217 Cb 0.06 -3.50 -0.10 0.00 0.66 0.00 0.00 46.19 43.31 1vao s LEU 217 CO 0.70 -1.33 1.25 -2.16 -1.89 0.00 0.00 176.35 172.92 1vao s PRO 218 N 4.64 4.38 0.52 0.98 0.04 -1.26 -4.15 135.00 140.15 1vao s PRO 218 Ca 0.51 2.09 -0.22 0.00 0.04 0.00 0.00 61.00 63.41 1vao s PRO 218 Cb -0.09 -3.05 -0.06 0.00 0.04 0.00 0.00 34.50 31.35 1vao s PRO 218 CO 0.31 -0.12 1.34 0.34 0.04 0.00 0.00 177.00 178.91 1vao s ASP 219 N -0.63 5.49 0.70 6.66 2.15 -1.26 -4.78 116.67 125.00 1vao s ASP 219 Ca 0.49 2.71 -0.13 0.00 0.43 0.00 0.00 52.55 56.05 1vao s ASP 219 Cb -0.37 -2.63 0.02 0.00 -0.30 0.00 0.00 42.92 39.64 1vao s ASP 219 CO 0.49 -1.42 1.11 -2.84 -0.17 0.00 0.00 175.17 172.34 1vao s PRO 220 N -2.81 2.56 0.49 4.34 0.02 -1.26 -4.96 135.00 133.38 1vao s PRO 220 Ca 0.69 1.33 -0.21 0.00 0.02 0.00 0.00 61.00 62.82 1vao s PRO 220 Cb -0.39 -1.92 -0.07 0.00 0.02 0.00 0.00 34.50 32.14 1vao s PRO 220 CO 0.47 -1.43 1.14 0.21 -0.33 0.00 0.00 177.00 177.06 1vao s LYS 221 N -4.38 3.64 -0.17 5.54 2.20 -1.26 -5.06 119.74 120.25 1vao s LYS 221 Ca 0.65 1.67 -0.30 0.00 -0.36 0.00 0.00 55.97 57.63 1vao s LYS 221 Cb -0.20 -2.24 0.13 0.00 -1.51 0.00 0.00 37.83 34.01 1vao s LYS 221 CO 0.47 -0.63 1.02 -0.98 -0.36 0.00 0.00 175.35 174.87 1vao s ARG 222 N -2.94 0.56 0.16 4.03 1.70 -1.26 -5.06 118.95 116.14 1vao s ARG 222 Ca 0.67 0.15 -0.30 0.00 -0.47 0.00 0.00 55.73 55.78 1vao s ARG 222 Cb -0.26 0.26 -0.04 0.00 -0.57 0.00 0.00 34.95 34.35 1vao s ARG 222 CO 0.30 -0.17 1.55 -1.35 -1.08 0.00 0.00 175.30 174.55 1vao h PRO 223 N 2.58 -0.15 -1.05 3.89 0.11 -1.99 -0.34 132.00 135.05 1vao h PRO 223 Ca -0.18 0.01 0.28 0.00 0.11 0.00 0.00 66.00 66.22 1vao h PRO 223 Cb 1.16 0.03 -0.12 0.00 0.11 0.00 0.00 31.00 32.19 1vao h PRO 223 CO 0.30 -0.10 0.64 0.93 -0.21 0.00 0.00 178.00 179.56 1vao h GLU 224 N -0.16 0.41 -0.16 1.05 3.07 -2.02 -0.26 114.58 116.52 1vao h GLU 224 Ca 0.15 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 1vao h GLU 224 Cb 0.51 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 1vao h GLU 224 CO -0.80 0.27 0.00 0.25 -1.40 0.00 0.00 179.01 177.33 1vao n THR 225 N -4.79 0.20 -2.13 1.13 -2.24 -0.20 -5.01 114.28 101.24 1vao n THR 225 Ca 0.28 -0.46 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 1vao n THR 225 Cb 0.89 0.77 -0.03 0.00 -2.10 0.00 0.00 70.33 69.87 1vao n THR 225 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1vao s MET 226 N -1.80 4.32 -0.01 -0.78 -1.94 -0.11 -3.69 119.30 115.29 1vao s MET 226 Ca 0.34 2.15 0.00 0.00 -1.71 0.00 0.00 55.69 56.47 1vao s MET 226 Cb 0.20 -3.19 0.00 0.00 2.01 0.00 0.00 34.83 33.85 1vao s MET 226 CO 0.30 -0.38 0.00 0.41 -0.01 0.00 0.00 175.02 175.33 1vao n GLY 227 N 2.82 0.46 3.82 -0.03 0.00 -1.26 -5.02 105.19 105.98 1vao n GLY 227 Ca 0.09 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1vao n GLY 227 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vao s LEU 228 N -0.02 4.08 0.57 0.99 1.43 -1.24 -5.03 118.68 119.46 1vao s LEU 228 Ca 0.00 1.59 -0.20 0.00 -1.03 0.00 0.00 54.13 54.48 1vao s LEU 228 Cb 0.00 -4.24 -0.04 0.00 0.03 0.00 0.00 46.19 41.94 1vao s LEU 228 CO 0.00 -0.23 1.31 -0.54 0.23 0.00 0.00 176.35 177.12 1vao s LYS 229 N -2.82 3.00 0.38 1.70 1.02 -1.26 -4.77 119.74 116.99 1vao s LYS 229 Ca 0.56 2.11 0.10 0.00 0.02 0.00 0.00 55.97 58.76 1vao s LYS 229 Cb -0.12 -2.12 0.86 0.00 -0.52 0.00 0.00 37.83 35.93 1vao s LYS 229 CO 0.17 -1.26 1.91 -1.35 -0.92 0.00 0.00 175.35 173.90 1vao h PRO 230 N 1.18 0.62 -0.76 -1.68 0.11 -1.97 0.79 132.00 130.30 1vao h PRO 230 Ca -0.51 -0.04 0.11 0.00 0.11 0.00 0.00 66.00 65.68 1vao h PRO 230 Cb 1.31 -0.14 -0.08 0.00 0.11 0.00 0.00 31.00 32.20 1vao h PRO 230 CO 0.56 0.41 0.38 0.93 -0.21 0.00 0.00 178.00 180.07 1vao h GLU 231 N 0.64 0.60 -0.00 1.05 5.08 -2.01 -2.04 114.58 117.89 1vao h GLU 231 Ca 0.39 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1vao h GLU 231 Cb 0.62 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1vao h GLU 231 CO -0.15 0.39 -0.01 -0.25 -1.00 0.00 0.00 179.01 177.99 1vao n ASP 232 N -4.86 0.09 -4.79 1.42 8.00 0.25 -4.93 116.55 111.72 1vao n ASP 232 Ca 0.13 -0.67 -0.37 0.00 0.71 0.00 0.00 54.79 54.59 1vao n ASP 232 Cb 0.33 -0.11 -0.06 0.00 -0.02 0.00 0.00 41.12 41.25 1vao n ASP 232 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1vao s GLN 233 N -2.24 4.52 1.12 -1.24 -0.21 -0.77 -4.85 119.66 115.99 1vao s GLN 233 Ca 0.39 1.24 -0.15 0.00 0.02 0.00 0.00 55.36 56.86 1vao s GLN 233 Cb 0.21 -2.80 0.25 0.00 1.00 0.00 0.00 33.01 31.67 1vao s GLN 233 CO 0.41 0.29 1.07 -1.25 -2.12 0.00 0.00 175.29 173.69 1vao s PRO 234 N -2.07 -0.57 0.17 2.91 0.04 -1.26 -5.03 135.00 129.19 1vao s PRO 234 Ca 0.49 0.39 0.05 0.00 0.04 0.00 0.00 61.00 61.97 1vao s PRO 234 Cb -0.18 -1.63 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 1vao s PRO 234 CO 0.23 -3.38 0.14 -1.58 0.04 0.00 0.00 177.00 172.46 1vao s TRP 235 N -2.82 3.15 1.06 0.56 0.52 -1.26 -4.60 118.94 115.54 1vao s TRP 235 Ca 0.68 -0.02 -0.12 0.00 0.02 0.00 0.00 56.10 56.66 1vao s TRP 235 Cb -0.17 -1.50 0.23 0.00 -1.15 0.00 0.00 33.47 30.87 1vao s TRP 235 CO 0.59 0.52 1.08 0.45 0.02 0.00 0.00 176.95 179.61 1vao s SER 236 N -3.18 1.76 0.25 2.95 0.15 -1.26 -4.73 113.70 109.65 1vao s SER 236 Ca 0.31 1.85 -0.05 0.00 0.70 0.00 0.00 55.95 58.76 1vao s SER 236 Cb -0.10 -2.44 0.32 0.00 -1.71 0.00 0.00 66.02 62.09 1vao s SER 236 CO 0.24 -3.77 1.90 0.07 1.20 0.00 0.00 173.24 172.87 1vao h LYS 237 N -2.33 1.19 -0.01 5.44 2.10 -1.92 -3.01 116.57 118.04 1vao h LYS 237 Ca -0.53 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.04 1vao h LYS 237 Cb 1.30 -0.27 0.00 0.00 -0.90 0.00 0.00 32.23 32.37 1vao h LYS 237 CO 0.46 0.79 -0.08 -0.89 -2.00 0.00 0.00 179.45 177.73 1vao n ILE 238 N -4.47 0.00 -0.32 0.07 2.08 -1.26 -4.55 119.36 110.91 1vao n ILE 238 Ca 0.13 -0.13 0.02 0.00 0.56 0.00 0.00 62.75 63.33 1vao n ILE 238 Cb 0.10 0.15 0.09 0.00 -0.75 0.00 0.00 39.64 39.23 1vao n ILE 238 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1vao h ALA 239 N 3.96 0.46 -0.80 -1.39 0.00 -1.71 -2.06 119.26 117.72 1vao h ALA 239 Ca 0.00 0.32 -0.29 0.00 0.00 0.00 0.00 54.91 54.94 1vao h ALA 239 Cb 0.38 0.75 -0.17 0.00 0.00 0.00 0.00 17.79 18.75 1vao h ALA 239 CO 0.00 -0.46 0.36 0.72 0.00 0.00 0.00 179.25 179.87 1vao n HIS 240 N -5.54 2.61 0.00 0.00 8.25 -1.26 -2.83 115.22 116.45 1vao n HIS 240 Ca 0.12 -1.36 0.00 0.00 -0.26 0.00 0.00 57.72 56.22 1vao n HIS 240 Cb 0.43 -0.75 0.00 0.00 1.12 0.00 0.00 29.99 30.79 1vao n HIS 240 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1vao n LEU 241 N -0.38 0.00 -3.39 2.41 4.77 -0.78 -4.84 117.00 114.78 1vao n LEU 241 Ca 0.46 -0.13 -0.15 0.00 -0.03 0.00 0.00 56.01 56.16 1vao n LEU 241 Cb 1.46 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 42.46 1vao n LEU 241 CO 0.48 0.00 -0.14 0.12 -1.33 0.00 0.00 177.39 176.52 1vao s PHE 242 N -0.44 -0.58 0.34 -1.77 5.36 -1.17 -5.03 117.98 114.69 1vao s PHE 242 Ca 0.00 0.17 0.02 0.00 -0.96 0.00 0.00 56.93 56.16 1vao s PHE 242 Cb 0.00 -0.30 0.61 0.00 -0.34 0.00 0.00 43.02 42.98 1vao s PHE 242 CO 0.00 -0.83 2.00 -1.00 -1.46 0.00 0.00 175.22 173.93 1vao h PRO 243 N 8.24 0.86 -0.85 10.12 0.13 -1.84 -3.32 132.00 145.34 1vao h PRO 243 Ca -0.14 -0.06 0.07 0.00 -0.87 0.00 0.00 66.00 65.00 1vao h PRO 243 Cb 1.11 -0.19 -0.06 0.00 0.13 0.00 0.00 31.00 31.99 1vao h PRO 243 CO 0.30 0.58 0.55 1.88 -0.23 0.00 0.00 178.00 181.08 1vao h TYR 244 N 0.88 0.95 0.00 1.56 0.05 -1.96 -3.38 116.97 115.08 1vao h TYR 244 Ca 0.24 0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.04 1vao h TYR 244 Cb -0.09 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 37.34 1vao h TYR 244 CO 0.00 0.50 0.00 0.41 -1.05 0.00 0.00 178.16 178.02 1vao n GLY 245 N -1.41 3.01 3.17 3.88 0.00 -1.25 -4.63 105.19 107.96 1vao n GLY 245 Ca 0.13 -0.34 -0.17 0.00 0.00 0.00 0.00 46.02 45.64 1vao n GLY 245 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1vao s PHE 246 N 0.00 1.16 0.00 1.61 5.36 -1.26 -4.89 117.98 119.95 1vao s PHE 246 Ca 0.00 -0.53 0.00 0.00 -0.96 0.00 0.00 56.93 55.44 1vao s PHE 246 Cb 0.00 -0.64 0.00 0.00 -0.34 0.00 0.00 43.02 42.04 1vao s PHE 246 CO 0.00 0.04 0.00 0.41 -1.46 0.00 0.00 175.22 174.21 1vao n GLY 247 N 0.97 -1.05 3.66 13.12 0.00 -1.26 -4.84 105.19 115.79 1vao n GLY 247 Ca -0.19 -1.22 -0.47 0.00 0.00 0.00 0.00 46.02 44.14 1vao n GLY 247 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1vao n PRO 248 N 0.00 2.03 -2.91 1.61 -0.02 -1.26 -4.88 135.00 129.58 1vao n PRO 248 Ca 0.00 0.73 -0.44 0.00 -2.02 0.00 0.00 63.50 61.78 1vao n PRO 248 Cb 0.00 -2.49 -0.02 0.00 -0.02 0.00 0.00 33.50 30.97 1vao n PRO 248 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1vao s TYR 249 N 0.96 3.19 -1.89 6.00 5.04 -1.26 -4.87 117.35 124.53 1vao s TYR 249 Ca 0.80 -1.58 0.29 0.00 -2.44 0.00 0.00 57.07 54.14 1vao s TYR 249 Cb -0.71 -4.32 1.36 0.00 0.35 0.00 0.00 41.96 38.63 1vao s TYR 249 CO 0.39 -1.49 1.93 0.44 -1.34 0.00 0.00 175.55 175.48 1vao n ILE 250 N 5.33 0.00 -0.23 3.14 -5.35 -1.26 -4.51 119.36 116.48 1vao n ILE 250 Ca 0.28 -0.08 0.24 0.00 -0.27 0.00 0.00 62.75 62.92 1vao n ILE 250 Cb 0.47 -0.08 0.61 0.00 -1.74 0.00 0.00 39.64 38.90 1vao n ILE 250 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 1vao h ASP 251 N 0.76 0.23 0.56 7.28 5.19 -1.96 -2.36 116.42 126.13 1vao h ASP 251 Ca 0.00 0.03 -0.04 0.00 -0.62 0.00 0.00 57.03 56.40 1vao h ASP 251 Cb 0.30 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 1vao h ASP 251 CO 0.00 0.08 -0.17 1.23 -3.12 0.00 0.00 179.24 177.26 1vao h GLY 252 N 0.23 0.00 1.86 2.75 0.00 -1.97 -1.86 103.07 104.08 1vao h GLY 252 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 1vao h GLY 252 CO -0.12 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.46 1vao n LEU 253 N -3.56 0.00 -0.18 3.11 4.77 -0.89 -0.79 117.00 119.46 1vao n LEU 253 Ca -0.01 0.43 0.12 0.00 -0.03 0.00 0.00 56.01 56.52 1vao n LEU 253 Cb 0.32 -0.43 0.14 0.00 -2.33 0.00 0.00 43.42 41.12 1vao n LEU 253 CO 0.32 -0.33 0.36 0.49 -1.33 0.00 0.00 177.39 176.90 1vao n PHE 254 N -1.43 0.00 -3.74 -1.77 3.72 -0.70 -4.32 117.46 109.22 1vao n PHE 254 Ca 0.02 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.06 1vao n PHE 254 Cb 0.07 -0.10 -0.11 0.00 -0.94 0.00 0.00 39.48 38.41 1vao n PHE 254 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1vao s SER 255 N -2.74 5.72 -1.16 4.37 1.04 0.03 -4.53 113.70 116.42 1vao s SER 255 Ca 0.16 -0.02 -0.07 0.00 0.48 0.00 0.00 55.95 56.50 1vao s SER 255 Cb 0.18 -2.03 -0.03 0.00 0.10 0.00 0.00 66.02 64.24 1vao s SER 255 CO 0.66 0.03 0.84 0.00 0.98 0.00 0.00 173.24 175.75 1vao n GLN 256 N 4.51 -3.28 -3.88 4.02 6.02 -1.12 -4.98 117.38 118.67 1vao n GLN 256 Ca -0.15 0.70 -0.09 0.00 -0.01 0.00 0.00 57.00 57.44 1vao n GLN 256 Cb 0.52 -5.24 -0.04 0.00 1.02 0.00 0.00 30.24 26.50 1vao n GLN 256 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1vao s SER 257 N -3.80 -0.17 -0.11 1.08 1.04 -1.26 -4.83 113.70 105.65 1vao s SER 257 Ca 0.28 -0.71 0.17 0.00 0.48 0.00 0.00 55.95 56.16 1vao s SER 257 Cb -0.06 0.61 0.62 0.00 0.10 0.00 0.00 66.02 67.28 1vao s SER 257 CO 0.79 -1.14 1.53 -0.46 0.98 0.00 0.00 173.24 174.94 1vao n ASN 258 N -0.38 4.32 0.30 7.02 0.23 -1.26 -4.73 115.26 120.77 1vao n ASN 258 Ca -0.05 -2.48 0.19 0.00 -0.53 0.00 0.00 54.58 51.70 1vao n ASN 258 Cb 0.61 -0.51 0.95 0.00 -2.08 0.00 0.00 39.78 38.75 1vao n ASN 258 CO 0.00 0.00 0.00 0.24 -0.93 0.00 0.00 177.26 176.57 1vao h MET 259 N 3.32 0.00 0.00 -3.83 2.86 -1.89 -3.44 114.93 111.95 1vao h MET 259 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1vao h MET 259 Cb 1.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.00 1vao h MET 259 CO 0.20 0.03 0.00 0.41 1.06 0.00 0.00 176.91 178.60 1vao n GLY 260 N -0.71 -0.97 3.43 8.32 0.00 -1.26 -4.59 105.19 109.41 1vao n GLY 260 Ca -0.02 -1.02 -0.36 0.00 0.00 0.00 0.00 46.02 44.63 1vao n GLY 260 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vao s ILE 261 N -2.00 4.07 -0.28 -0.61 1.01 -0.69 -4.96 121.20 117.74 1vao s ILE 261 Ca 0.00 -0.26 -0.23 0.00 0.00 0.00 0.00 60.65 60.15 1vao s ILE 261 Cb 0.00 -2.88 -0.00 0.00 0.01 0.00 0.00 42.46 39.59 1vao s ILE 261 CO 0.00 0.38 0.78 -0.69 0.00 0.00 0.00 174.94 175.41 1vao s VAL 262 N 1.40 4.83 -0.14 2.92 1.01 -1.26 0.23 120.40 129.40 1vao s VAL 262 Ca 0.05 1.32 0.19 0.00 0.00 0.00 0.00 61.98 63.53 1vao s VAL 262 Cb -0.15 -4.11 -0.15 0.00 0.00 0.00 0.00 36.38 31.97 1vao s VAL 262 CO 0.02 -0.15 0.74 0.35 0.00 0.00 0.00 175.10 176.05 1vao n THR 263 N 5.39 0.96 -3.49 3.92 -2.24 0.24 -4.79 114.28 114.26 1vao n THR 263 Ca 0.04 -0.66 -0.09 0.00 -2.27 0.00 0.00 64.05 61.06 1vao n THR 263 Cb 0.48 -0.55 -0.02 0.00 -2.10 0.00 0.00 70.33 68.14 1vao n THR 263 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1vao s LYS 264 N -3.03 0.89 -0.04 -0.78 1.02 -1.06 -4.34 119.74 112.40 1vao s LYS 264 Ca -0.04 -0.30 -0.30 0.00 0.02 0.00 0.00 55.97 55.36 1vao s LYS 264 Cb 0.09 0.41 0.07 0.00 -0.52 0.00 0.00 37.83 37.88 1vao s LYS 264 CO 0.82 -0.38 0.65 -1.50 -0.92 0.00 0.00 175.35 174.02 1vao s ILE 265 N -3.09 0.00 -0.19 2.17 2.07 0.74 -1.48 121.20 121.42 1vao s ILE 265 Ca 0.04 -0.04 -0.12 0.00 -1.41 0.00 0.00 60.65 59.12 1vao s ILE 265 Cb -0.01 -0.97 -0.05 0.00 0.13 0.00 0.00 42.46 41.56 1vao s ILE 265 CO -0.09 -0.02 0.21 -0.83 -1.91 0.00 0.00 174.94 172.31 1vao s GLY 266 N -1.25 2.10 -0.13 1.50 0.00 -0.99 -0.03 107.32 108.52 1vao s GLY 266 Ca -0.11 -0.61 -0.01 0.00 0.00 0.00 0.00 44.72 43.99 1vao s GLY 266 CO 0.09 0.33 -0.05 -0.42 0.00 0.00 0.00 173.10 173.05 1vao s ILE 267 N 0.55 0.97 0.26 0.90 -1.09 -0.74 0.34 121.20 122.39 1vao s ILE 267 Ca 0.12 -0.40 -0.31 0.00 -2.23 0.00 0.00 60.65 57.83 1vao s ILE 267 Cb -0.12 -1.09 -0.13 0.00 -1.58 0.00 0.00 42.46 39.54 1vao s ILE 267 CO 0.02 0.23 1.44 0.79 -1.23 0.00 0.00 174.94 176.18 1vao n TRP 268 N 4.94 2.34 -4.42 3.97 8.01 0.22 -2.69 117.44 129.81 1vao n TRP 268 Ca -0.11 0.40 -0.35 0.00 -1.31 0.00 0.00 57.50 56.13 1vao n TRP 268 Cb 0.49 -2.49 -0.10 0.00 -2.01 0.00 0.00 31.31 27.20 1vao n TRP 268 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1vao s LEU 269 N -0.15 3.48 -0.17 -0.99 1.43 0.98 -4.91 118.68 118.35 1vao s LEU 269 Ca 0.66 0.09 -0.28 0.00 -1.03 0.00 0.00 54.13 53.57 1vao s LEU 269 Cb -0.60 -1.79 -0.00 0.00 0.03 0.00 0.00 46.19 43.82 1vao s LEU 269 CO 0.51 0.36 0.97 -0.32 0.23 0.00 0.00 176.35 178.09 1vao s MET 270 N -0.76 4.33 0.54 1.70 -2.45 -1.18 -4.59 119.30 116.89 1vao s MET 270 Ca 0.12 1.27 -0.20 0.00 -1.25 0.00 0.00 55.69 55.63 1vao s MET 270 Cb -0.11 -3.59 -0.06 0.00 1.25 0.00 0.00 34.83 32.32 1vao s MET 270 CO 0.02 -0.44 1.17 -2.14 1.05 0.00 0.00 175.02 174.68 1vao s PRO 271 N 2.49 3.33 0.03 4.11 0.02 -1.26 0.21 135.00 143.93 1vao s PRO 271 Ca 0.44 1.74 -0.36 0.00 0.02 0.00 0.00 61.00 62.84 1vao s PRO 271 Cb -0.17 -2.08 -0.15 0.00 0.02 0.00 0.00 34.50 32.12 1vao s PRO 271 CO 0.12 -0.90 1.58 -1.71 -0.33 0.00 0.00 177.00 175.76 1vao n ASN 272 N -1.19 2.60 0.00 2.53 2.85 0.21 -4.64 115.26 117.62 1vao n ASN 272 Ca 0.11 1.07 0.11 0.00 -0.11 0.00 0.00 54.58 55.76 1vao n ASN 272 Cb 0.50 -1.30 0.47 0.00 1.24 0.00 0.00 39.78 40.69 1vao n ASN 272 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1vao n PRO 273 N 4.00 0.02 -2.38 1.20 -0.04 -1.26 -4.94 135.00 131.59 1vao n PRO 273 Ca 0.20 0.12 -0.04 0.00 -0.04 0.00 0.00 63.50 63.74 1vao n PRO 273 Cb 0.24 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.20 1vao n PRO 273 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1vao n ARG 274 N -1.49 -0.80 0.00 0.54 0.00 -1.26 -3.68 116.66 109.97 1vao n ARG 274 Ca 0.06 0.15 0.00 0.00 -0.00 0.00 0.00 57.85 58.05 1vao n ARG 274 Cb 0.25 -3.44 0.00 0.00 -0.00 0.00 0.00 32.46 29.27 1vao n ARG 274 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1vao n GLY 275 N -0.87 4.67 3.52 2.89 0.00 -1.25 -3.65 105.19 110.49 1vao n GLY 275 Ca -0.02 -0.74 -0.08 0.00 0.00 0.00 0.00 46.02 45.17 1vao n GLY 275 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1vao s TYR 276 N -0.87 -0.90 -0.08 1.61 5.04 -1.26 -0.61 117.35 120.28 1vao s TYR 276 Ca 0.00 1.84 -0.03 0.00 -2.44 0.00 0.00 57.07 56.44 1vao s TYR 276 Cb 0.00 0.50 0.04 0.00 0.35 0.00 0.00 41.96 42.85 1vao s TYR 276 CO 0.00 -0.46 0.09 -1.14 -1.34 0.00 0.00 175.55 172.70 1vao s GLN 277 N 1.49 -0.01 0.15 4.97 2.00 0.10 -4.92 119.66 123.43 1vao s GLN 277 Ca -0.09 0.31 -0.02 0.00 -2.00 0.00 0.00 55.36 53.55 1vao s GLN 277 Cb -0.06 -0.79 -0.05 0.00 0.80 0.00 0.00 33.01 32.92 1vao s GLN 277 CO -0.17 -0.42 0.34 -1.54 -0.50 0.00 0.00 175.29 173.01 1vao s SER 278 N 2.19 6.42 0.31 6.67 1.04 -1.26 0.27 113.70 129.34 1vao s SER 278 Ca 0.04 0.43 -0.16 0.00 0.48 0.00 0.00 55.95 56.74 1vao s SER 278 Cb -0.13 -2.02 0.02 0.00 0.10 0.00 0.00 66.02 63.99 1vao s SER 278 CO -0.05 0.04 0.67 -0.72 0.98 0.00 0.00 173.24 174.15 1vao s TYR 279 N -1.72 0.13 0.03 5.02 -0.85 -0.76 -4.47 117.35 114.73 1vao s TYR 279 Ca 0.39 -0.61 0.03 0.00 -0.52 0.00 0.00 57.07 56.35 1vao s TYR 279 Cb -0.12 0.57 -0.02 0.00 0.38 0.00 0.00 41.96 42.77 1vao s TYR 279 CO 0.27 -1.28 -0.10 -1.17 -1.52 0.00 0.00 175.55 171.76 1vao s LEU 280 N -3.01 2.16 -0.11 -3.49 2.96 -0.72 -2.29 118.68 114.18 1vao s LEU 280 Ca 0.16 -0.39 -0.02 0.00 -0.22 0.00 0.00 54.13 53.66 1vao s LEU 280 Cb -0.04 -0.38 0.04 0.00 0.50 0.00 0.00 46.19 46.31 1vao s LEU 280 CO 0.10 -0.03 0.03 -0.63 -1.32 0.00 0.00 176.35 174.49 1vao s ILE 281 N -0.83 0.29 -0.01 6.68 1.01 -0.62 -0.44 121.20 127.29 1vao s ILE 281 Ca -0.02 -0.02 -0.22 0.00 0.00 0.00 0.00 60.65 60.39 1vao s ILE 281 Cb -0.07 -0.60 -0.05 0.00 0.01 0.00 0.00 42.46 41.75 1vao s ILE 281 CO 0.01 0.09 0.64 0.42 0.00 0.00 0.00 174.94 176.09 1vao s THR 282 N 1.99 4.91 -0.31 2.92 -4.23 -0.39 -1.47 115.64 119.06 1vao s THR 282 Ca 0.03 1.34 -0.09 0.00 -1.18 0.00 0.00 61.69 61.80 1vao s THR 282 Cb -0.14 -3.98 -0.00 0.00 1.34 0.00 0.00 72.50 69.72 1vao s THR 282 CO -0.06 0.38 0.14 -0.76 -0.54 0.00 0.00 174.62 173.77 1vao s LEU 283 N 0.04 4.07 0.04 4.79 1.43 -0.40 -3.14 118.68 125.51 1vao s LEU 283 Ca 0.33 -0.58 -0.27 0.00 -1.03 0.00 0.00 54.13 52.58 1vao s LEU 283 Cb -0.18 -1.97 -0.17 0.00 0.03 0.00 0.00 46.19 43.89 1vao s LEU 283 CO 0.18 -0.20 1.46 1.55 0.23 0.00 0.00 176.35 179.57 1vao h PRO 284 N 8.33 -0.46 -6.36 1.29 0.14 -1.80 0.26 132.00 133.40 1vao h PRO 284 Ca -0.32 0.03 -0.55 0.00 0.14 0.00 0.00 66.00 65.30 1vao h PRO 284 Cb 1.14 0.11 -0.04 0.00 0.14 0.00 0.00 31.00 32.35 1vao h PRO 284 CO 0.61 -0.21 -0.02 0.15 0.14 0.00 0.00 178.00 178.68 1vao s LYS 285 N -5.39 4.13 0.30 0.86 -0.14 -1.26 -3.20 119.74 115.04 1vao s LYS 285 Ca -0.15 0.67 0.06 0.00 -1.36 0.00 0.00 55.97 55.19 1vao s LYS 285 Cb 0.03 -3.02 0.76 0.00 -1.68 0.00 0.00 37.83 33.92 1vao s LYS 285 CO 0.59 0.51 1.74 0.22 -0.76 0.00 0.00 175.35 177.65 1vao h ASP 286 N 3.85 0.59 0.50 2.83 3.58 -1.91 0.67 116.42 126.53 1vao h ASP 286 Ca -0.49 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.09 1vao h ASP 286 Cb 1.20 0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.29 1vao h ASP 286 CO 0.65 0.13 0.00 0.61 -2.88 0.00 0.00 179.24 177.75 1vao n GLY 287 N -1.32 -1.01 0.23 -0.78 0.00 -1.26 -3.39 105.19 97.66 1vao n GLY 287 Ca 0.24 -0.06 0.16 0.00 0.00 0.00 0.00 46.02 46.35 1vao n GLY 287 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1vao h ASP 288 N 0.00 0.00 -0.97 1.61 3.32 -0.03 -2.67 116.42 117.69 1vao h ASP 288 Ca 0.00 0.00 0.18 0.00 0.02 0.00 0.00 57.03 57.23 1vao h ASP 288 Cb 0.25 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.69 1vao h ASP 288 CO 0.00 0.00 0.57 0.25 -1.72 0.00 0.00 179.24 178.34 1vao h LEU 289 N 0.00 0.71 -0.02 1.55 5.85 -1.73 -1.05 115.31 120.63 1vao h LEU 289 Ca 0.00 0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.85 1vao h LEU 289 Cb 0.41 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 1vao h LEU 289 CO 0.00 0.25 -0.23 0.50 -0.34 0.00 0.00 178.44 178.62 1vao h LYS 290 N 0.71 -0.34 -0.05 1.25 3.64 -1.74 -2.03 116.57 118.03 1vao h LYS 290 Ca 0.56 0.02 -0.23 0.00 -1.27 0.00 0.00 60.65 59.73 1vao h LYS 290 Cb 0.87 0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.78 1vao h LYS 290 CO -0.39 -0.22 -0.91 0.37 -2.27 0.00 0.00 179.45 176.03 1vao h GLN 291 N -0.35 0.60 -0.27 1.90 4.15 -1.59 -2.88 115.11 116.66 1vao h GLN 291 Ca 0.07 -0.58 0.06 0.00 0.77 0.00 0.00 58.65 58.96 1vao h GLN 291 Cb 0.44 0.15 -0.06 0.00 0.21 0.00 0.00 27.48 28.22 1vao h GLN 291 CO -0.22 1.20 -0.10 0.00 -1.93 0.00 0.00 178.83 177.77 1vao h ALA 292 N 0.61 0.13 -1.00 3.38 0.00 -1.14 0.14 119.26 121.39 1vao h ALA 292 Ca -0.08 0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1vao h ALA 292 Cb 1.54 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 19.55 1vao h ALA 292 CO 0.17 -0.50 0.66 0.28 0.00 0.00 0.00 179.25 179.86 1vao h VAL 293 N -0.05 1.26 0.00 0.00 2.07 -1.38 1.11 116.25 119.26 1vao h VAL 293 Ca 0.14 -0.47 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 1vao h VAL 293 Cb 0.27 -0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 29.81 1vao h VAL 293 CO -0.31 0.25 -0.27 0.44 0.02 0.00 0.00 177.57 177.70 1vao h ASP 294 N 1.36 0.00 0.35 0.57 3.32 -1.09 -0.39 116.42 120.54 1vao h ASP 294 Ca 0.37 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.40 1vao h ASP 294 Cb -0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.40 1vao h ASP 294 CO -0.08 0.27 -0.17 0.40 -1.72 0.00 0.00 179.24 177.94 1vao h ILE 295 N 0.00 0.02 -0.96 0.35 2.04 0.17 -3.29 117.51 115.85 1vao h ILE 295 Ca -0.00 -0.66 0.22 0.00 1.00 0.00 0.00 64.86 65.41 1vao h ILE 295 Cb 0.60 0.04 -0.08 0.00 -0.74 0.00 0.00 36.82 36.64 1vao h ILE 295 CO 0.03 0.01 0.62 0.40 0.00 0.00 0.00 178.15 179.21 1vao h ILE 296 N -1.12 0.64 -0.85 -0.67 2.04 0.13 -3.29 117.51 114.40 1vao h ILE 296 Ca -0.05 -0.16 0.09 0.00 1.00 0.00 0.00 64.86 65.74 1vao h ILE 296 Cb 0.38 0.14 -0.11 0.00 -0.74 0.00 0.00 36.82 36.48 1vao h ILE 296 CO 0.08 0.09 -0.56 -0.09 0.00 0.00 0.00 178.15 177.66 1vao h ARG 297 N 0.47 -0.10 0.00 2.37 2.43 -1.13 -2.11 114.38 116.31 1vao h ARG 297 Ca 0.52 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.59 1vao h ARG 297 Cb 1.22 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 1vao h ARG 297 CO -0.24 -0.07 -0.53 -1.00 -1.51 0.00 0.00 179.97 176.63 1vao h PRO 298 N -0.10 0.00 0.00 0.20 0.13 -1.76 -2.74 132.00 127.73 1vao h PRO 298 Ca 0.16 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.21 1vao h PRO 298 Cb 0.47 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.59 1vao h PRO 298 CO -0.85 0.53 -0.38 -0.07 -0.23 0.00 0.00 178.00 177.00 1vao h LEU 299 N 0.00 0.00 0.02 1.56 3.38 -1.64 -0.69 115.31 117.95 1vao h LEU 299 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1vao h LEU 299 Cb 1.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1vao h LEU 299 CO 0.07 0.38 -0.15 -0.09 0.09 0.00 0.00 178.44 178.73 1vao h ARG 300 N 0.00 0.07 0.00 1.13 9.65 -1.36 0.21 114.38 124.07 1vao h ARG 300 Ca -0.00 -0.10 -0.03 0.00 -1.10 0.00 0.00 59.98 58.75 1vao h ARG 300 Cb 0.92 0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.53 1vao h ARG 300 CO 0.05 1.01 -0.13 -0.07 2.80 0.00 0.00 179.97 183.62 1vao h LEU 301 N -0.82 0.00 0.00 3.80 4.07 -1.44 -2.74 115.31 118.18 1vao h LEU 301 Ca -0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1vao h LEU 301 Cb 1.08 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.82 1vao h LEU 301 CO 0.03 0.13 -0.65 0.61 -1.08 0.00 0.00 178.44 177.48 1vao n GLY 302 N -1.14 -1.22 1.55 0.83 0.00 -0.27 -5.01 105.19 99.93 1vao n GLY 302 Ca -0.03 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1vao n GLY 302 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1vao n MET 303 N -1.60 0.00 0.00 1.61 2.81 -0.16 -4.86 117.12 114.92 1vao n MET 303 Ca 0.05 0.06 -0.14 0.00 -1.81 0.00 0.00 57.70 55.86 1vao n MET 303 Cb 0.35 -2.45 -0.02 0.00 -0.71 0.00 0.00 33.22 30.39 1vao n MET 303 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1vao h ALA 304 N 0.00 0.45 -2.26 3.04 0.00 -1.34 -3.39 119.26 115.76 1vao h ALA 304 Ca 0.00 -0.59 -0.60 0.00 0.00 0.00 0.00 54.91 53.72 1vao h ALA 304 Cb 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.65 1vao h ALA 304 CO 0.00 0.71 0.39 -0.51 0.00 0.00 0.00 179.25 179.84 1vao s LEU 305 N -8.27 4.09 -0.07 0.00 1.43 -0.57 -4.95 118.68 110.33 1vao s LEU 305 Ca -0.08 0.68 -0.05 0.00 -1.03 0.00 0.00 54.13 53.64 1vao s LEU 305 Cb 0.10 -3.07 -0.02 0.00 0.03 0.00 0.00 46.19 43.23 1vao s LEU 305 CO 0.88 -0.60 -0.10 0.00 0.23 0.00 0.00 176.35 176.76 1vao n GLN 306 N 6.17 0.23 0.00 1.70 6.02 -1.26 -4.68 117.38 125.55 1vao n GLN 306 Ca 0.04 0.35 0.00 0.00 -0.01 0.00 0.00 57.00 57.38 1vao n GLN 306 Cb 0.48 -1.19 0.00 0.00 1.02 0.00 0.00 30.24 30.55 1vao n GLN 306 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1vao n ASN 307 N -3.46 0.00 -4.37 1.08 6.94 -1.26 -4.49 115.26 109.70 1vao n ASN 307 Ca -0.04 0.00 -0.42 0.00 -0.02 0.00 0.00 54.58 54.10 1vao n ASN 307 Cb 0.15 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.47 1vao n ASN 307 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1vao s VAL 308 N 0.00 4.77 0.64 3.53 1.01 -1.10 -4.83 120.40 124.42 1vao s VAL 308 Ca 0.00 -0.98 -0.11 0.00 0.00 0.00 0.00 61.98 60.89 1vao s VAL 308 Cb 0.00 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1vao s VAL 308 CO 0.00 -0.38 1.04 -2.16 0.00 0.00 0.00 175.10 173.60 1vao s PRO 309 N 1.57 3.41 0.03 2.72 0.04 -1.26 -4.68 135.00 136.83 1vao s PRO 309 Ca 0.03 0.72 0.04 0.00 0.04 0.00 0.00 61.00 61.84 1vao s PRO 309 Cb -0.21 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.25 1vao s PRO 309 CO 0.06 -0.70 -0.13 0.95 0.04 0.00 0.00 177.00 177.23 1vao s THR 310 N -3.20 1.01 -0.36 1.26 -4.23 -0.69 -1.19 115.64 108.25 1vao s THR 310 Ca 0.56 -0.91 -0.05 0.00 -1.18 0.00 0.00 61.69 60.11 1vao s THR 310 Cb -0.11 -0.92 0.06 0.00 1.34 0.00 0.00 72.50 72.87 1vao s THR 310 CO 0.54 0.01 0.13 -0.63 -0.54 0.00 0.00 174.62 174.13 1vao s ILE 311 N -0.79 3.60 0.14 2.99 1.01 -0.86 -1.15 121.20 126.14 1vao s ILE 311 Ca 0.01 -1.41 0.02 0.00 0.00 0.00 0.00 60.65 59.27 1vao s ILE 311 Cb -0.07 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 1vao s ILE 311 CO 0.01 -0.32 0.27 -0.13 0.00 0.00 0.00 174.94 174.76 1vao s ARG 312 N 1.32 3.41 0.20 2.79 0.52 0.58 -1.59 118.95 126.19 1vao s ARG 312 Ca 0.00 -0.59 -0.12 0.00 -0.52 0.00 0.00 55.73 54.50 1vao s ARG 312 Cb -0.21 -2.96 -0.07 0.00 0.52 0.00 0.00 34.95 32.23 1vao s ARG 312 CO 0.00 0.53 0.57 -1.58 0.02 0.00 0.00 175.30 174.84 1vao s HIS 313 N -1.71 3.50 0.35 -0.53 5.65 -0.61 0.73 115.29 122.68 1vao s HIS 313 Ca 0.34 0.99 0.07 0.00 0.25 0.00 0.00 55.06 56.72 1vao s HIS 313 Cb -0.11 -2.33 0.77 0.00 -1.18 0.00 0.00 32.58 29.73 1vao s HIS 313 CO 0.28 0.33 1.90 0.97 -0.65 0.00 0.00 174.74 177.57 1vao h ILE 314 N 2.37 0.90 0.00 0.89 -0.00 -1.74 -1.33 117.51 118.60 1vao h ILE 314 Ca -0.48 -0.25 -0.01 0.00 -0.00 0.00 0.00 64.86 64.12 1vao h ILE 314 Cb 1.18 0.10 -0.00 0.00 -0.00 0.00 0.00 36.82 38.10 1vao h ILE 314 CO 0.67 0.13 -0.04 -0.07 -0.00 0.00 0.00 178.15 178.84 1vao h LEU 315 N 0.74 0.00 -0.16 2.19 3.38 -1.89 0.37 115.31 119.94 1vao h LEU 315 Ca 0.41 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.28 1vao h LEU 315 Cb 0.56 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1vao h LEU 315 CO -0.17 0.04 -0.26 0.25 0.09 0.00 0.00 178.44 178.39 1vao h LEU 316 N 0.00 0.51 -0.42 1.67 5.85 -1.55 0.70 115.31 122.06 1vao h LEU 316 Ca -0.00 -0.53 -0.17 0.00 0.84 0.00 0.00 57.88 58.02 1vao h LEU 316 Cb 0.11 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 1vao h LEU 316 CO 0.01 0.95 -0.54 0.44 -0.34 0.00 0.00 178.44 178.95 1vao h ASP 317 N 0.09 0.79 -0.90 1.25 3.32 -1.35 -0.44 116.42 119.18 1vao h ASP 317 Ca 0.01 -0.42 0.10 0.00 0.02 0.00 0.00 57.03 56.74 1vao h ASP 317 Cb 0.84 -0.23 -0.08 0.00 0.22 0.00 0.00 39.33 40.09 1vao h ASP 317 CO 0.06 1.17 0.54 0.00 -1.72 0.00 0.00 179.24 179.29 1vao h ALA 318 N 0.85 1.31 -0.17 3.45 0.00 -0.19 -0.70 119.26 123.80 1vao h ALA 318 Ca 0.01 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1vao h ALA 318 Cb 1.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1vao h ALA 318 CO 0.11 0.18 -0.42 0.00 0.00 0.00 0.00 179.25 179.12 1vao h ALA 319 N 1.48 0.97 -0.10 0.00 0.00 0.10 0.19 119.26 121.91 1vao h ALA 319 Ca 0.43 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1vao h ALA 319 Cb 0.38 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1vao h ALA 319 CO -0.24 0.62 -0.30 0.28 0.00 0.00 0.00 179.25 179.61 1vao h VAL 320 N 0.33 1.25 -0.34 0.00 2.07 0.01 -3.08 116.25 116.49 1vao h VAL 320 Ca 0.03 -1.21 -0.14 0.00 0.82 0.00 0.00 66.70 66.20 1vao h VAL 320 Cb 0.88 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 1vao h VAL 320 CO 0.07 0.36 -0.35 -0.07 0.02 0.00 0.00 177.57 177.60 1vao h LEU 321 N 0.16 0.90 -7.00 2.57 3.38 -0.31 -3.44 115.31 111.57 1vao h LEU 321 Ca 0.02 -0.47 0.19 0.00 0.09 0.00 0.00 57.88 57.71 1vao h LEU 321 Cb 0.63 -0.25 -0.24 0.00 0.09 0.00 0.00 40.66 40.88 1vao h LEU 321 CO 0.05 1.19 0.79 -0.83 0.09 0.00 0.00 178.44 179.72 1vao s GLY 322 N -3.78 -0.10 0.67 0.83 0.00 0.60 -5.10 107.32 100.46 1vao s GLY 322 Ca -0.12 2.35 -0.17 0.00 0.00 0.00 0.00 44.72 46.78 1vao s GLY 322 CO 0.86 0.98 0.62 2.09 0.00 0.00 0.00 173.10 177.65 1vao n ASP 323 N 0.49 -0.77 -0.29 1.64 5.75 -1.26 -4.28 116.55 117.81 1vao n ASP 323 Ca -0.03 0.66 0.11 0.00 -0.01 0.00 0.00 54.79 55.51 1vao n ASP 323 Cb 0.58 -1.24 0.35 0.00 -1.03 0.00 0.00 41.12 39.78 1vao n ASP 323 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 1vao h LYS 324 N -0.13 0.73 -0.18 0.11 3.64 -1.37 -0.74 116.57 118.63 1vao h LYS 324 Ca -0.46 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 58.93 1vao h LYS 324 Cb 1.36 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 1vao h LYS 324 CO 0.45 0.49 0.22 -0.09 -2.27 0.00 0.00 179.45 178.25 1vao h ARG 325 N 0.76 0.00 -2.21 1.90 2.43 -1.77 -1.31 114.38 114.18 1vao h ARG 325 Ca 0.47 0.00 -0.72 0.00 -0.81 0.00 0.00 59.98 58.91 1vao h ARG 325 Cb 0.69 0.00 -0.33 0.00 -0.42 0.00 0.00 29.97 29.91 1vao h ARG 325 CO -0.23 0.00 0.41 -1.13 -1.51 0.00 0.00 179.97 177.51 1vao n SER 326 N -3.71 6.32 0.00 -3.80 3.41 -0.28 -3.92 113.62 111.63 1vao n SER 326 Ca 0.02 -3.70 0.00 0.00 -0.26 0.00 0.00 58.87 54.92 1vao n SER 326 Cb 0.34 -0.93 0.00 0.00 -0.26 0.00 0.00 64.21 63.36 1vao n SER 326 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1vao n TYR 327 N -0.18 0.00 0.00 7.33 4.01 -0.91 -4.74 117.16 122.67 1vao n TYR 327 Ca 0.42 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.16 1vao n TYR 327 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.35 1vao n TYR 327 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1vao n SER 328 N -0.33 0.00 -4.43 7.72 2.88 -0.54 -5.08 113.62 113.85 1vao n SER 328 Ca 0.00 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 57.10 1vao n SER 328 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1vao n SER 328 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1vao s SER 329 N 0.00 6.71 -0.23 -3.46 0.01 -1.26 -4.04 113.70 111.42 1vao s SER 329 Ca 0.00 -2.28 -0.12 0.00 1.31 0.00 0.00 55.95 54.85 1vao s SER 329 Cb 0.00 -2.36 0.08 0.00 0.21 0.00 0.00 66.02 63.95 1vao s SER 329 CO 0.00 -0.93 0.55 -0.60 0.41 0.00 0.00 173.24 172.68 1vao s ARG 330 N 2.03 0.54 0.07 12.44 3.52 -1.26 -4.97 118.95 131.32 1vao s ARG 330 Ca 0.31 1.06 -0.15 0.00 -0.13 0.00 0.00 55.73 56.82 1vao s ARG 330 Cb -0.06 0.15 -0.23 0.00 -1.56 0.00 0.00 34.95 33.26 1vao s ARG 330 CO -0.09 -0.17 1.19 1.15 -0.81 0.00 0.00 175.30 176.57 1vao h THR 331 N 5.40 1.30 -3.21 4.11 2.02 -2.02 -3.45 112.91 117.06 1vao h THR 331 Ca -0.31 -2.20 -0.44 0.00 0.77 0.00 0.00 66.41 64.23 1vao h THR 331 Cb 1.19 2.38 0.22 0.00 -1.74 0.00 0.00 68.15 70.20 1vao h THR 331 CO 0.21 0.68 -0.04 -0.62 0.37 0.00 0.00 175.52 176.11 1vao n GLU 332 N -3.91 -2.45 -2.69 6.66 1.02 -1.26 -4.94 120.64 113.07 1vao n GLU 332 Ca -0.11 -0.68 -0.34 0.00 -0.02 0.00 0.00 57.16 56.01 1vao n GLU 332 Cb 0.85 -2.16 -0.05 0.00 -0.02 0.00 0.00 31.44 30.05 1vao n GLU 332 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 1vao s PRO 333 N -4.37 4.06 0.32 3.49 0.02 -1.26 -4.97 135.00 132.28 1vao s PRO 333 Ca 0.68 1.24 -0.28 0.00 0.02 0.00 0.00 61.00 62.67 1vao s PRO 333 Cb -0.25 -2.18 -0.09 0.00 0.02 0.00 0.00 34.50 32.00 1vao s PRO 333 CO 0.65 -0.19 1.14 -0.51 -0.33 0.00 0.00 177.00 177.76 1vao s LEU 334 N -3.25 4.43 0.78 -5.54 1.43 -1.26 -5.02 118.68 110.25 1vao s LEU 334 Ca 0.64 2.33 -0.12 0.00 -1.03 0.00 0.00 54.13 55.95 1vao s LEU 334 Cb -0.13 -3.75 0.06 0.00 0.03 0.00 0.00 46.19 42.40 1vao s LEU 334 CO 0.17 -0.33 1.10 -0.94 0.23 0.00 0.00 176.35 176.58 1vao s SER 335 N -0.92 4.71 0.61 2.29 1.04 -1.26 -4.91 113.70 115.27 1vao s SER 335 Ca 0.48 1.22 0.37 0.00 0.48 0.00 0.00 55.95 58.51 1vao s SER 335 Cb -0.32 -1.96 1.98 0.00 0.10 0.00 0.00 66.02 65.82 1vao s SER 335 CO 0.41 -1.82 2.24 -0.78 0.98 0.00 0.00 173.24 174.27 1vao h ASP 336 N -0.98 0.00 0.32 7.02 1.82 -2.00 -1.41 116.42 121.18 1vao h ASP 336 Ca -0.47 0.00 -0.33 0.00 -0.39 0.00 0.00 57.03 55.85 1vao h ASP 336 Cb 1.27 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.29 1vao h ASP 336 CO 0.61 0.02 -1.60 -0.33 -1.61 0.00 0.00 179.24 176.33 1vao h GLU 337 N 0.00 0.37 0.00 0.28 3.07 -2.00 -3.08 114.58 113.22 1vao h GLU 337 Ca -0.00 -0.63 -0.02 0.00 -0.50 0.00 0.00 59.36 58.21 1vao h GLU 337 Cb 0.14 0.23 -0.00 0.00 -0.84 0.00 0.00 28.75 28.28 1vao h GLU 337 CO 0.00 1.27 -0.12 0.93 -1.40 0.00 0.00 179.01 179.69 1vao h GLU 338 N 0.10 0.00 -0.01 2.33 5.08 -1.64 -1.48 114.58 118.96 1vao h GLU 338 Ca -0.28 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1vao h GLU 338 Cb 2.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.33 1vao h GLU 338 CO 0.19 0.12 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.24 1vao h LEU 339 N 0.00 0.02 -1.40 1.33 3.38 -1.45 -0.50 115.31 116.69 1vao h LEU 339 Ca -0.00 -0.45 0.14 0.00 0.09 0.00 0.00 57.88 57.66 1vao h LEU 339 Cb 0.27 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 1vao h LEU 339 CO 0.02 0.47 0.54 0.44 0.09 0.00 0.00 178.44 180.00 1vao h ASP 340 N -0.42 0.56 -0.02 -0.43 3.32 -1.38 0.42 116.42 118.47 1vao h ASP 340 Ca 0.00 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 1vao h ASP 340 Cb 0.46 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 1vao h ASP 340 CO 0.00 0.29 -0.01 0.11 -1.72 0.00 0.00 179.24 177.91 1vao h LYS 341 N 0.59 0.04 -0.80 3.56 1.57 -0.73 -2.04 116.57 118.77 1vao h LYS 341 Ca 0.41 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.23 1vao h LYS 341 Cb 0.75 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.00 1vao h LYS 341 CO -0.17 0.41 0.50 0.82 -0.57 0.00 0.00 179.45 180.44 1vao h ILE 342 N -0.34 1.06 -0.78 1.86 2.04 0.36 -0.78 117.51 120.93 1vao h ILE 342 Ca 0.00 -0.32 0.12 0.00 1.00 0.00 0.00 64.86 65.66 1vao h ILE 342 Cb 0.39 0.05 -0.08 0.00 -0.74 0.00 0.00 36.82 36.44 1vao h ILE 342 CO 0.00 0.17 0.39 0.00 0.00 0.00 0.00 178.15 178.71 1vao h ALA 343 N 1.36 1.12 -0.36 1.87 0.00 -0.12 -0.64 119.26 122.49 1vao h ALA 343 Ca 0.34 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 55.19 1vao h ALA 343 Cb 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1vao h ALA 343 CO -0.15 -0.06 -0.29 1.57 0.00 0.00 0.00 179.25 180.32 1vao h LYS 344 N 0.62 0.83 -0.77 0.00 2.10 -0.43 -1.26 116.57 117.66 1vao h LYS 344 Ca 0.40 -0.41 0.01 0.00 -2.00 0.00 0.00 60.65 58.65 1vao h LYS 344 Cb 0.50 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.79 1vao h LYS 344 CO -0.31 1.05 0.51 1.96 -2.00 0.00 0.00 179.45 180.65 1vao h GLN 345 N 0.63 1.00 0.00 0.07 4.20 -0.32 -1.98 115.11 118.70 1vao h GLN 345 Ca 0.07 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1vao h GLN 345 Cb 0.86 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1vao h GLN 345 CO 0.08 0.66 -0.16 1.28 -0.67 0.00 0.00 178.83 180.02 1vao n LEU 346 N -4.42 0.26 -0.25 1.46 4.77 -0.34 -4.91 117.00 113.56 1vao n LEU 346 Ca 0.08 0.37 -0.03 0.00 -0.03 0.00 0.00 56.01 56.40 1vao n LEU 346 Cb 0.04 -0.40 -0.01 0.00 -2.33 0.00 0.00 43.42 40.71 1vao n LEU 346 CO 0.36 0.01 -0.03 0.59 -1.33 0.00 0.00 177.39 176.99 1vao n ASN 347 N -1.63 -3.73 -4.99 -1.43 3.02 -0.75 -5.00 115.26 100.76 1vao n ASN 347 Ca 0.06 0.08 -0.23 0.00 -0.03 0.00 0.00 54.58 54.47 1vao n ASN 347 Cb 0.36 -1.53 0.04 0.00 -0.61 0.00 0.00 39.78 38.04 1vao n ASN 347 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1vao s LEU 348 N -0.76 2.89 0.00 3.41 1.43 -0.54 -5.01 118.68 120.10 1vao s LEU 348 Ca 0.00 -1.05 0.00 0.00 -1.03 0.00 0.00 54.13 52.05 1vao s LEU 348 Cb 0.00 -1.38 0.00 0.00 0.03 0.00 0.00 46.19 44.84 1vao s LEU 348 CO 0.00 -1.29 0.00 0.61 0.23 0.00 0.00 176.35 175.90 1vao n GLY 349 N -2.08 1.72 0.11 -3.19 0.00 -1.26 -4.35 105.19 96.14 1vao n GLY 349 Ca 0.09 -2.09 -0.16 0.00 0.00 0.00 0.00 46.02 43.86 1vao n GLY 349 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1vao h ARG 350 N 0.00 0.26 -3.67 1.61 2.47 -0.44 -3.42 114.38 111.19 1vao h ARG 350 Ca 0.00 -0.44 -0.34 0.00 -1.26 0.00 0.00 59.98 57.94 1vao h ARG 350 Cb 0.00 0.17 -0.34 0.00 -1.65 0.00 0.00 29.97 28.14 1vao h ARG 350 CO 0.00 1.16 -0.74 -1.58 0.56 0.00 0.00 179.97 179.37 1vao s TRP 351 N -2.63 0.26 -0.21 3.04 0.52 -1.16 -2.52 118.94 116.24 1vao s TRP 351 Ca -0.06 0.03 -0.03 0.00 0.02 0.00 0.00 56.10 56.06 1vao s TRP 351 Cb 0.07 -0.39 -0.00 0.00 -1.15 0.00 0.00 33.47 32.00 1vao s TRP 351 CO 0.87 -0.13 -0.09 -0.80 0.02 0.00 0.00 176.95 176.83 1vao s ASN 352 N 1.07 3.98 -0.34 2.95 0.02 0.22 -1.28 114.94 121.57 1vao s ASN 352 Ca -0.09 -0.46 -0.12 0.00 -1.02 0.00 0.00 52.86 51.17 1vao s ASN 352 Cb -0.13 -1.67 -0.01 0.00 0.02 0.00 0.00 41.25 39.45 1vao s ASN 352 CO -0.02 -0.01 0.23 0.12 0.02 0.00 0.00 177.10 177.43 1vao s PHE 353 N 1.42 3.22 -0.11 2.20 5.36 -0.54 -0.31 117.98 129.22 1vao s PHE 353 Ca 0.05 -0.29 -0.04 0.00 -0.96 0.00 0.00 56.93 55.69 1vao s PHE 353 Cb -0.14 -2.46 -0.04 0.00 -0.34 0.00 0.00 43.02 40.04 1vao s PHE 353 CO -0.06 -0.39 0.04 0.71 -1.46 0.00 0.00 175.22 174.07 1vao s TYR 354 N 1.70 3.28 0.16 10.12 1.51 -0.30 -1.58 117.35 132.24 1vao s TYR 354 Ca 0.06 0.24 -0.02 0.00 -1.01 0.00 0.00 57.07 56.33 1vao s TYR 354 Cb -0.17 -1.88 0.01 0.00 -0.11 0.00 0.00 41.96 39.80 1vao s TYR 354 CO 0.10 0.46 0.24 0.41 -1.11 0.00 0.00 175.55 175.66 1vao n GLY 355 N 2.39 2.45 3.51 0.71 0.00 -0.97 -1.70 105.19 111.58 1vao n GLY 355 Ca -0.19 -1.41 -0.17 0.00 0.00 0.00 0.00 46.02 44.25 1vao n GLY 355 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vao s ALA 356 N -1.98 -1.74 0.06 4.61 0.00 -1.26 -1.84 121.76 119.61 1vao s ALA 356 Ca 0.12 1.23 0.03 0.00 0.00 0.00 0.00 51.96 53.33 1vao s ALA 356 Cb -0.01 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 1vao s ALA 356 CO 0.08 -0.41 0.05 -0.51 0.00 0.00 0.00 175.76 174.98 1vao s LEU 357 N -1.35 3.71 -0.02 0.00 1.43 0.77 -4.55 118.68 118.67 1vao s LEU 357 Ca -0.10 -0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.00 1vao s LEU 357 Cb -0.00 -2.34 0.01 0.00 0.03 0.00 0.00 46.19 43.88 1vao s LEU 357 CO 0.08 0.20 -0.05 -0.31 0.23 0.00 0.00 176.35 176.49 1vao s TYR 358 N -1.31 0.64 0.00 0.29 2.02 -1.26 -0.72 117.35 117.00 1vao s TYR 358 Ca 0.27 -0.14 0.00 0.00 -0.37 0.00 0.00 57.07 56.82 1vao s TYR 358 Cb -0.12 -0.49 0.00 0.00 -0.40 0.00 0.00 41.96 40.95 1vao s TYR 358 CO 0.19 -0.09 0.00 0.41 -1.57 0.00 0.00 175.55 174.49 1vao n GLY 359 N 3.43 -1.25 3.71 0.71 0.00 0.21 -4.75 105.19 107.26 1vao n GLY 359 Ca -0.19 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.30 1vao n GLY 359 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1vao n PRO 360 N 0.00 2.38 -0.35 1.61 -0.02 -1.24 -3.83 135.00 133.55 1vao n PRO 360 Ca 0.00 0.85 0.12 0.00 -2.02 0.00 0.00 63.50 62.45 1vao n PRO 360 Cb 0.00 -2.58 0.31 0.00 -0.02 0.00 0.00 33.50 31.21 1vao n PRO 360 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1vao h GLU 361 N 4.67 0.75 -0.82 -0.52 4.22 -1.95 0.32 114.58 121.25 1vao h GLU 361 Ca -0.46 -0.05 0.14 0.00 0.08 0.00 0.00 59.36 59.07 1vao h GLU 361 Cb 1.25 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 30.27 1vao h GLU 361 CO 0.79 0.50 0.54 -1.35 -2.18 0.00 0.00 179.01 177.30 1vao h PRO 362 N 0.78 0.58 0.17 0.92 0.11 -1.99 0.24 132.00 132.80 1vao h PRO 362 Ca 0.57 -0.03 -0.33 0.00 0.11 0.00 0.00 66.00 66.31 1vao h PRO 362 Cb 0.85 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 31.83 1vao h PRO 362 CO -0.37 0.38 -1.64 0.82 -0.21 0.00 0.00 178.00 176.98 1vao h ILE 363 N 0.59 0.97 -0.64 4.15 2.04 -0.86 -3.16 117.51 120.61 1vao h ILE 363 Ca 0.40 -2.48 0.06 0.00 1.00 0.00 0.00 64.86 63.84 1vao h ILE 363 Cb 0.71 2.76 -0.05 0.00 -0.74 0.00 0.00 36.82 39.50 1vao h ILE 363 CO -0.16 0.81 0.35 0.03 0.00 0.00 0.00 178.15 179.19 1vao h ARG 364 N -0.02 0.63 -0.27 2.37 3.08 -0.40 -0.14 114.38 119.64 1vao h ARG 364 Ca -0.33 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 59.72 1vao h ARG 364 Cb 1.99 -0.14 -0.07 0.00 0.08 0.00 0.00 29.97 31.83 1vao h ARG 364 CO 0.14 0.42 -0.55 -0.09 -1.07 0.00 0.00 179.97 178.82 1vao h ARG 365 N 0.65 -0.48 -0.24 0.04 2.43 -0.65 0.36 114.38 116.50 1vao h ARG 365 Ca 0.29 0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.45 1vao h ARG 365 Cb 0.18 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1vao h ARG 365 CO -0.18 -0.32 -0.04 0.28 -1.51 0.00 0.00 179.97 178.20 1vao h VAL 366 N -0.50 1.17 -0.21 0.20 2.07 -1.34 -1.57 116.25 116.08 1vao h VAL 366 Ca 0.05 -0.70 -0.06 0.00 0.82 0.00 0.00 66.70 66.80 1vao h VAL 366 Cb 0.64 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1vao h VAL 366 CO -0.51 0.23 -0.12 -0.07 0.02 0.00 0.00 177.57 177.12 1vao h LEU 367 N 0.35 0.47 -1.19 2.57 3.38 0.50 -2.83 115.31 118.56 1vao h LEU 367 Ca 0.08 -0.43 -0.04 0.00 0.09 0.00 0.00 57.88 57.58 1vao h LEU 367 Cb 0.31 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1vao h LEU 367 CO 0.01 0.79 0.13 -0.25 0.09 0.00 0.00 178.44 179.21 1vao h TRP 368 N 0.14 0.71 -0.55 1.13 2.91 -0.18 -1.18 115.95 118.94 1vao h TRP 368 Ca 0.04 -0.05 -0.07 0.00 1.13 0.00 0.00 58.89 59.94 1vao h TRP 368 Cb 0.62 -0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 29.04 1vao h TRP 368 CO 0.07 0.60 0.06 0.93 -1.03 0.00 0.00 178.44 179.06 1vao h GLU 369 N 0.68 0.90 -0.20 2.65 4.39 -1.21 0.44 114.58 122.23 1vao h GLU 369 Ca 0.16 -0.23 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 1vao h GLU 369 Cb 0.23 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1vao h GLU 369 CO -0.01 0.85 -0.04 1.15 -1.16 0.00 0.00 179.01 179.80 1vao h THR 370 N 0.84 1.28 0.71 1.13 2.02 -1.16 -2.22 112.91 115.51 1vao h THR 370 Ca 0.17 -1.01 -0.03 0.00 0.77 0.00 0.00 66.41 66.30 1vao h THR 370 Cb 0.41 1.54 0.01 0.00 -1.74 0.00 0.00 68.15 68.37 1vao h THR 370 CO 0.01 0.31 -0.34 0.40 0.37 0.00 0.00 175.52 176.27 1vao h ILE 371 N 0.11 0.23 -1.01 3.11 2.04 -1.09 -1.66 117.51 119.24 1vao h ILE 371 Ca 0.05 -0.16 0.24 0.00 1.00 0.00 0.00 64.86 65.99 1vao h ILE 371 Cb 0.48 0.27 -0.11 0.00 -0.74 0.00 0.00 36.82 36.73 1vao h ILE 371 CO 0.02 0.02 0.62 0.50 0.00 0.00 0.00 178.15 179.31 1vao h LYS 372 N -1.07 0.54 -0.14 2.37 3.64 -0.98 -1.28 116.57 119.65 1vao h LYS 372 Ca -0.10 -0.03 -0.18 0.00 -1.27 0.00 0.00 60.65 59.07 1vao h LYS 372 Cb 0.75 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1vao h LYS 372 CO 0.16 0.36 -0.67 0.22 -2.27 0.00 0.00 179.45 177.25 1vao h ASP 373 N 0.56 0.66 -0.21 4.20 3.58 -1.18 -3.20 116.42 120.82 1vao h ASP 373 Ca 0.60 -0.40 -0.07 0.00 0.42 0.00 0.00 57.03 57.58 1vao h ASP 373 Cb 1.24 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 42.09 1vao h ASP 373 CO -0.38 1.15 -0.15 0.00 -2.88 0.00 0.00 179.24 176.98 1vao h ALA 374 N 0.85 0.30 0.00 -0.78 0.00 -0.26 -3.14 119.26 116.23 1vao h ALA 374 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1vao h ALA 374 Cb 1.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1vao h ALA 374 CO 0.13 0.19 0.00 1.19 0.00 0.00 0.00 179.25 180.75 1vao n PHE 375 N -4.49 0.18 0.34 0.00 3.01 -1.02 -3.09 117.46 112.39 1vao n PHE 375 Ca -0.05 0.08 0.15 0.00 1.01 0.00 0.00 57.45 58.64 1vao n PHE 375 Cb 0.37 -0.62 0.57 0.00 -0.01 0.00 0.00 39.48 39.79 1vao n PHE 375 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1vao h SER 376 N 0.00 0.00 0.30 4.37 0.02 -1.54 -2.61 113.55 114.09 1vao h SER 376 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1vao h SER 376 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1vao h SER 376 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 1vao n ALA 377 N -1.95 1.94 -2.71 3.77 0.00 -1.18 -4.51 120.51 115.88 1vao n ALA 377 Ca 0.02 -0.08 -0.36 0.00 0.00 0.00 0.00 53.44 53.01 1vao n ALA 377 Cb 0.29 -1.28 -0.08 0.00 0.00 0.00 0.00 19.45 18.39 1vao n ALA 377 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1vao s ILE 378 N -2.54 5.33 0.57 0.00 -1.09 -0.99 -5.08 121.20 117.41 1vao s ILE 378 Ca 0.17 0.42 -0.17 0.00 -2.23 0.00 0.00 60.65 58.83 1vao s ILE 378 Cb 0.11 -3.58 -0.05 0.00 -1.58 0.00 0.00 42.46 37.36 1vao s ILE 378 CO 0.25 0.37 1.06 -2.84 -1.23 0.00 0.00 174.94 172.56 1vao s PRO 379 N 0.68 3.39 0.00 2.79 0.02 -1.26 -3.50 135.00 137.12 1vao s PRO 379 Ca 0.13 1.28 0.00 0.00 0.02 0.00 0.00 61.00 62.43 1vao s PRO 379 Cb -0.13 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.35 1vao s PRO 379 CO 0.03 -0.76 0.00 0.41 -0.33 0.00 0.00 177.00 176.35 1vao n GLY 380 N -0.70 0.06 3.77 0.52 0.00 -1.26 -4.48 105.19 103.09 1vao n GLY 380 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1vao n GLY 380 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vao s VAL 381 N -1.12 2.42 -0.10 1.61 1.01 -1.23 -4.55 120.40 118.43 1vao s VAL 381 Ca 0.00 0.37 -0.05 0.00 0.00 0.00 0.00 61.98 62.31 1vao s VAL 381 Cb 0.00 -3.22 0.05 0.00 0.00 0.00 0.00 36.38 33.21 1vao s VAL 381 CO 0.00 0.05 0.23 -0.54 0.00 0.00 0.00 175.10 174.84 1vao s LYS 382 N -2.33 0.17 -0.03 2.72 1.02 -1.19 -4.96 119.74 115.14 1vao s LYS 382 Ca 0.59 0.53 -0.17 0.00 0.02 0.00 0.00 55.97 56.93 1vao s LYS 382 Cb -0.40 -0.13 -0.05 0.00 -0.52 0.00 0.00 37.83 36.73 1vao s LYS 382 CO 0.51 -0.19 0.47 -0.06 -0.92 0.00 0.00 175.35 175.17 1vao s PHE 383 N 1.44 3.66 0.09 3.18 0.40 -1.26 -1.26 117.98 124.24 1vao s PHE 383 Ca -0.07 1.02 -0.03 0.00 -0.60 0.00 0.00 56.93 57.24 1vao s PHE 383 Cb -0.11 -2.44 -0.03 0.00 0.51 0.00 0.00 43.02 40.95 1vao s PHE 383 CO -0.08 0.45 0.06 0.71 0.70 0.00 0.00 175.22 177.06 1vao s TYR 384 N -0.42 0.52 0.13 0.36 1.51 0.42 -4.96 117.35 114.90 1vao s TYR 384 Ca 0.26 -0.98 0.08 0.00 -1.01 0.00 0.00 57.07 55.42 1vao s TYR 384 Cb -0.17 -0.31 -0.04 0.00 -0.11 0.00 0.00 41.96 41.33 1vao s TYR 384 CO 0.13 -0.48 -0.19 -0.06 -1.11 0.00 0.00 175.55 173.84 1vao s PHE 385 N -3.94 1.78 0.38 2.71 0.08 -1.26 -1.76 117.98 115.97 1vao s PHE 385 Ca 0.12 -0.45 0.22 0.00 0.12 0.00 0.00 56.93 56.94 1vao s PHE 385 Cb 0.07 -0.93 1.35 0.00 -0.57 0.00 0.00 43.02 42.93 1vao s PHE 385 CO -0.06 0.26 1.59 -1.35 -0.10 0.00 0.00 175.22 175.56 1vao h PRO 386 N 3.67 0.04 0.17 0.24 0.11 -1.91 0.75 132.00 135.08 1vao h PRO 386 Ca -0.44 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.67 1vao h PRO 386 Cb 1.19 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1vao h PRO 386 CO 0.45 0.03 -0.20 0.93 -0.21 0.00 0.00 178.00 179.00 1vao h GLU 387 N 0.04 -0.40 -0.06 1.05 4.39 -1.96 -1.42 114.58 116.22 1vao h GLU 387 Ca 0.84 0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.57 1vao h GLU 387 Cb 2.29 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 31.03 1vao h GLU 387 CO -0.69 -0.27 0.00 -0.25 -1.16 0.00 0.00 179.01 176.64 1vao n ASP 388 N -5.32 0.06 -4.02 1.42 8.00 0.26 -4.73 116.55 112.21 1vao n ASP 388 Ca -0.08 -0.21 -0.10 0.00 0.71 0.00 0.00 54.79 55.11 1vao n ASP 388 Cb 0.24 -0.03 -0.08 0.00 -0.02 0.00 0.00 41.12 41.23 1vao n ASP 388 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1vao s THR 389 N -1.43 0.05 1.04 -3.53 -4.23 -0.53 -4.79 115.64 102.22 1vao s THR 389 Ca 0.00 -1.55 -0.11 0.00 -1.18 0.00 0.00 61.69 58.85 1vao s THR 389 Cb 0.00 -2.00 0.21 0.00 1.34 0.00 0.00 72.50 72.05 1vao s THR 389 CO 0.00 -0.25 1.09 -2.16 -0.54 0.00 0.00 174.62 172.76 1vao s PRO 390 N -4.01 0.05 0.42 3.99 0.04 -1.26 -4.92 135.00 129.30 1vao s PRO 390 Ca 0.22 1.20 0.13 0.00 0.04 0.00 0.00 61.00 62.59 1vao s PRO 390 Cb 0.04 -1.64 0.90 0.00 0.04 0.00 0.00 34.50 33.84 1vao s PRO 390 CO 0.03 -3.18 1.95 0.93 0.04 0.00 0.00 177.00 176.77 1vao h GLU 391 N -2.25 0.06 -0.49 4.56 5.08 -1.97 -2.46 114.58 117.12 1vao h GLU 391 Ca -0.52 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1vao h GLU 391 Cb 1.30 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1vao h GLU 391 CO 0.46 0.26 0.00 0.27 -1.00 0.00 0.00 179.01 179.00 1vao n ASN 392 N -4.28 3.15 -4.69 1.42 6.94 -1.26 -4.98 115.26 111.57 1vao n ASN 392 Ca -0.02 -1.96 -0.32 0.00 -0.02 0.00 0.00 54.58 52.26 1vao n ASN 392 Cb 0.27 -0.32 0.15 0.00 -2.36 0.00 0.00 39.78 37.51 1vao n ASN 392 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1vao s SER 393 N -1.22 3.29 0.10 0.53 1.04 -0.93 -4.95 113.70 111.56 1vao s SER 393 Ca 0.39 2.24 -0.04 0.00 0.48 0.00 0.00 55.95 59.03 1vao s SER 393 Cb 0.21 -2.57 -0.19 0.00 0.10 0.00 0.00 66.02 63.57 1vao s SER 393 CO 0.29 -2.86 1.22 0.58 0.98 0.00 0.00 173.24 173.45 1vao h VAL 394 N -1.42 1.46 -0.73 5.02 2.07 -1.94 -3.07 116.25 117.64 1vao h VAL 394 Ca -0.44 -2.80 -0.07 0.00 0.82 0.00 0.00 66.70 64.21 1vao h VAL 394 Cb 1.28 2.71 -0.03 0.00 -1.52 0.00 0.00 31.29 33.73 1vao h VAL 394 CO 0.44 0.82 0.19 0.25 0.02 0.00 0.00 177.57 179.30 1vao h LEU 395 N 0.13 1.09 -0.85 2.57 5.85 -1.95 0.33 115.31 122.48 1vao h LEU 395 Ca -0.11 -0.23 0.09 0.00 0.84 0.00 0.00 57.88 58.48 1vao h LEU 395 Cb 1.79 -0.29 -0.07 0.00 0.37 0.00 0.00 40.66 42.46 1vao h LEU 395 CO 0.18 1.03 0.50 0.03 -0.34 0.00 0.00 178.44 179.84 1vao h ARG 396 N 1.09 0.83 0.24 1.25 3.08 -1.86 0.17 114.38 119.18 1vao h ARG 396 Ca 0.23 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 1vao h ARG 396 Cb 0.35 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1vao h ARG 396 CO -0.00 0.55 -0.12 0.28 -1.07 0.00 0.00 179.97 179.61 1vao h VAL 397 N 0.85 0.64 0.00 2.04 2.07 -1.24 -3.00 116.25 117.61 1vao h VAL 397 Ca 0.40 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1vao h VAL 397 Cb 0.34 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1vao h VAL 397 CO -0.23 0.15 0.15 0.03 0.02 0.00 0.00 177.57 177.69 1vao h ARG 398 N -0.90 0.00 0.05 1.57 3.08 -0.20 -0.00 114.38 117.99 1vao h ARG 398 Ca -0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1vao h ARG 398 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1vao h ARG 398 CO 0.05 0.00 -0.03 0.22 -1.07 0.00 0.00 179.97 179.15 1vao h ASP 399 N 0.00 -0.06 -0.24 7.04 3.58 -0.51 0.37 116.42 126.59 1vao h ASP 399 Ca 0.00 -0.13 -0.03 0.00 0.42 0.00 0.00 57.03 57.29 1vao h ASP 399 Cb 0.29 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 1vao h ASP 399 CO 0.00 0.10 0.04 0.11 -2.88 0.00 0.00 179.24 176.61 1vao h LYS 400 N -0.22 0.39 -0.68 0.28 1.57 -1.12 -3.08 116.57 113.72 1vao h LYS 400 Ca -0.01 -0.11 0.14 0.00 -1.87 0.00 0.00 60.65 58.81 1vao h LYS 400 Cb 0.19 -0.05 -0.10 0.00 0.08 0.00 0.00 32.23 32.35 1vao h LYS 400 CO 0.01 0.53 0.14 1.15 -0.57 0.00 0.00 179.45 180.71 1vao h THR 401 N 0.20 0.55 0.00 -0.16 2.02 -0.89 -0.55 112.91 114.08 1vao h THR 401 Ca 0.07 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1vao h THR 401 Cb 0.32 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1vao h THR 401 CO 0.00 0.05 0.00 0.23 0.37 0.00 0.00 175.52 176.17 1vao n MET 402 N -5.17 0.52 -0.24 6.66 2.81 0.12 -2.36 117.12 119.46 1vao n MET 402 Ca 0.12 0.04 0.08 0.00 -1.81 0.00 0.00 57.70 56.12 1vao n MET 402 Cb 0.40 -1.50 0.18 0.00 -0.71 0.00 0.00 33.22 31.59 1vao n MET 402 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1vao n GLN 403 N -1.11 2.40 -1.00 0.03 10.64 -0.52 -4.54 117.38 123.28 1vao n GLN 403 Ca 0.13 -2.50 0.00 0.00 -1.83 0.00 0.00 57.00 52.80 1vao n GLN 403 Cb 0.11 -1.56 0.00 0.00 -0.86 0.00 0.00 30.24 27.93 1vao n GLN 403 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1vao n GLY 404 N -0.67 0.78 3.65 2.61 0.00 -1.00 -4.60 105.19 105.96 1vao n GLY 404 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1vao n GLY 404 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vao s ILE 405 N -3.15 5.15 0.28 -0.61 1.01 -0.33 -4.50 121.20 119.04 1vao s ILE 405 Ca 0.00 0.77 -0.29 0.00 0.00 0.00 0.00 60.65 61.13 1vao s ILE 405 Cb 0.00 -3.77 -0.10 0.00 0.01 0.00 0.00 42.46 38.60 1vao s ILE 405 CO 0.00 0.19 1.38 -2.16 0.00 0.00 0.00 174.94 174.35 1vao s PRO 406 N 1.72 4.30 0.00 2.79 0.04 -1.26 -2.93 135.00 139.66 1vao s PRO 406 Ca 0.20 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.50 1vao s PRO 406 Cb -0.15 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1vao s PRO 406 CO 0.09 -0.33 0.00 0.25 0.04 0.00 0.00 177.00 177.05 1vao n THR 407 N 1.77 0.00 -1.89 1.26 -2.24 -1.26 -4.89 114.28 107.02 1vao n THR 407 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1vao n THR 407 Cb 0.41 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 1vao n THR 407 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1vao n TYR 408 N 0.00 0.00 -0.13 4.78 4.01 -1.26 -0.95 117.16 123.61 1vao n TYR 408 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.69 1vao n TYR 408 Cb 0.00 0.13 0.15 0.00 -0.31 0.00 0.00 39.34 39.31 1vao n TYR 408 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1vao h ASP 409 N 0.00 0.80 0.00 7.72 5.19 -1.98 -2.51 116.42 125.64 1vao h ASP 409 Ca 0.00 -0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.22 1vao h ASP 409 Cb 0.89 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 40.19 1vao h ASP 409 CO 0.00 0.84 0.05 -0.62 -3.12 0.00 0.00 179.24 176.39 1vao n GLU 410 N -4.22 0.11 0.04 3.56 1.02 -1.26 -2.06 120.64 117.82 1vao n GLU 410 Ca 0.03 0.60 -0.00 0.00 -0.02 0.00 0.00 57.16 57.77 1vao n GLU 410 Cb 0.29 -1.90 0.30 0.00 -0.02 0.00 0.00 31.44 30.11 1vao n GLU 410 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1vao h LEU 411 N 0.00 0.40 -2.11 -4.62 3.38 -1.82 -1.87 115.31 108.66 1vao h LEU 411 Ca 0.00 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.90 1vao h LEU 411 Cb 0.09 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1vao h LEU 411 CO 0.00 0.54 0.31 0.11 0.09 0.00 0.00 178.44 179.49 1vao h LYS 412 N 0.39 0.00 0.00 1.13 1.57 -1.62 0.21 116.57 118.25 1vao h LYS 412 Ca 0.08 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1vao h LYS 412 Cb 0.43 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1vao h LYS 412 CO 0.02 0.00 -0.17 0.11 -0.57 0.00 0.00 179.45 178.84 1vao h TRP 413 N 0.00 0.00 0.00 -1.35 5.08 -1.45 0.21 115.95 118.44 1vao h TRP 413 Ca 0.04 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 60.01 1vao h TRP 413 Cb 0.66 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.82 1vao h TRP 413 CO 0.00 0.17 -0.01 0.82 -1.28 0.00 0.00 178.44 178.15 1vao h ILE 414 N 0.00 0.39 0.00 0.12 2.04 -0.78 -2.45 117.51 116.83 1vao h ILE 414 Ca -0.00 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1vao h ILE 414 Cb 0.42 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1vao h ILE 414 CO 0.02 0.01 0.00 0.47 0.00 0.00 0.00 178.15 178.65 1vao n ASP 415 N -3.64 0.00 -0.24 1.72 8.00 0.73 -4.21 116.55 118.91 1vao n ASP 415 Ca -0.03 -0.68 0.02 0.00 0.71 0.00 0.00 54.79 54.81 1vao n ASP 415 Cb 0.09 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.29 1vao n ASP 415 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 1vao h TRP 416 N 0.00 -0.26 -2.50 1.24 -0.00 -1.59 -3.42 115.95 109.43 1vao h TRP 416 Ca 0.00 0.06 -0.53 0.00 -0.00 0.00 0.00 58.89 58.42 1vao h TRP 416 Cb 0.00 0.22 -0.03 0.00 -0.00 0.00 0.00 29.16 29.36 1vao h TRP 416 CO 0.00 -0.28 -0.47 -0.51 -0.00 0.00 0.00 178.44 177.19 1vao s LEU 417 N -10.88 4.29 0.24 0.65 1.43 -1.26 -1.14 118.68 112.01 1vao s LEU 417 Ca -0.14 0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 52.97 1vao s LEU 417 Cb 0.21 -2.85 0.33 0.00 0.03 0.00 0.00 46.19 43.91 1vao s LEU 417 CO 0.75 0.03 1.59 -0.65 0.23 0.00 0.00 176.35 178.29 1vao h PRO 418 N 1.98 -0.01 -2.91 1.29 0.11 -1.92 -1.26 132.00 129.28 1vao h PRO 418 Ca -0.49 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.01 1vao h PRO 418 Cb 1.20 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.91 1vao h PRO 418 CO 0.67 -0.01 -0.75 -0.80 -0.21 0.00 0.00 178.00 176.90 1vao s ASN 419 N -5.25 3.49 0.34 -2.05 0.01 -1.26 -5.05 114.94 105.17 1vao s ASN 419 Ca -0.15 -2.80 -0.27 0.00 -0.71 0.00 0.00 52.86 48.93 1vao s ASN 419 Cb 0.23 -1.01 -0.09 0.00 0.41 0.00 0.00 41.25 40.79 1vao s ASN 419 CO 0.75 -0.24 1.05 -0.83 -1.51 0.00 0.00 177.10 176.33 1vao s GLY 420 N 0.14 2.89 -0.03 0.66 0.00 -0.48 -0.70 107.32 109.80 1vao s GLY 420 Ca 0.20 0.76 -0.11 0.00 0.00 0.00 0.00 44.72 45.57 1vao s GLY 420 CO -0.04 1.27 0.25 0.00 0.00 0.00 0.00 173.10 174.57 1vao s ALA 421 N -1.43 -0.62 0.14 3.20 0.00 0.20 -4.82 121.76 118.44 1vao s ALA 421 Ca 0.51 0.31 0.05 0.00 0.00 0.00 0.00 51.96 52.84 1vao s ALA 421 Cb -0.26 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1vao s ALA 421 CO 0.33 -0.21 0.07 -3.38 0.00 0.00 0.00 175.76 172.57 1vao s HIS 422 N -0.93 3.05 -0.12 0.00 -3.43 -1.26 -0.65 115.29 111.95 1vao s HIS 422 Ca -0.10 -0.03 -0.06 0.00 -0.80 0.00 0.00 55.06 54.07 1vao s HIS 422 Cb -0.05 -1.50 0.05 0.00 -1.43 0.00 0.00 32.58 29.65 1vao s HIS 422 CO 0.02 0.51 0.28 -1.17 -2.00 0.00 0.00 174.74 172.39 1vao s LEU 423 N -2.82 0.11 -0.26 5.38 2.96 -0.45 -3.62 118.68 119.99 1vao s LEU 423 Ca 0.29 0.62 -0.15 0.00 -0.22 0.00 0.00 54.13 54.67 1vao s LEU 423 Cb -0.10 0.84 -0.04 0.00 0.50 0.00 0.00 46.19 47.39 1vao s LEU 423 CO 0.21 -0.19 0.36 -0.36 -1.32 0.00 0.00 176.35 175.05 1vao s PHE 424 N 1.64 3.27 -0.27 5.38 0.08 -1.10 -1.26 117.98 125.72 1vao s PHE 424 Ca -0.06 0.43 -0.13 0.00 0.12 0.00 0.00 56.93 57.28 1vao s PHE 424 Cb -0.11 -2.54 -0.04 0.00 -0.57 0.00 0.00 43.02 39.76 1vao s PHE 424 CO -0.09 -0.17 0.31 0.12 -0.10 0.00 0.00 175.22 175.29 1vao s PHE 425 N 1.86 3.24 -0.51 0.36 5.36 -1.06 -4.74 117.98 122.49 1vao s PHE 425 Ca 0.15 0.31 0.07 0.00 -0.96 0.00 0.00 56.93 56.51 1vao s PHE 425 Cb -0.15 -2.50 0.34 0.00 -0.34 0.00 0.00 43.02 40.37 1vao s PHE 425 CO 0.09 -0.19 0.88 0.43 -1.46 0.00 0.00 175.22 174.97 1vao n SER 426 N 5.19 3.36 -4.54 6.13 7.64 -1.26 -1.22 113.62 128.92 1vao n SER 426 Ca -0.10 -3.48 -0.28 0.00 1.01 0.00 0.00 58.87 56.02 1vao n SER 426 Cb 0.51 -0.58 0.23 0.00 -1.01 0.00 0.00 64.21 63.37 1vao n SER 426 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1vao s PRO 427 N -3.15 -0.61 0.02 1.43 0.04 -1.23 -1.46 135.00 130.04 1vao s PRO 427 Ca 0.46 0.76 0.05 0.00 0.04 0.00 0.00 61.00 62.31 1vao s PRO 427 Cb 0.30 -1.60 -0.02 0.00 0.04 0.00 0.00 34.50 33.23 1vao s PRO 427 CO -0.12 -3.50 -0.14 0.42 0.04 0.00 0.00 177.00 173.70 1vao s ILE 428 N -2.59 1.15 0.09 0.56 -1.09 -1.15 -1.43 121.20 116.74 1vao s ILE 428 Ca 0.68 -0.87 0.03 0.00 -2.23 0.00 0.00 60.65 58.26 1vao s ILE 428 Cb -0.23 -1.01 -0.04 0.00 -1.58 0.00 0.00 42.46 39.60 1vao s ILE 428 CO 0.63 0.13 -0.09 0.00 -1.23 0.00 0.00 174.94 174.38 1vao s ALA 429 N -0.66 1.01 1.02 9.38 0.00 -0.93 -4.54 121.76 127.04 1vao s ALA 429 Ca 0.03 -1.19 -0.12 0.00 0.00 0.00 0.00 51.96 50.68 1vao s ALA 429 Cb -0.07 0.07 0.20 0.00 0.00 0.00 0.00 23.12 23.32 1vao s ALA 429 CO 0.01 -0.10 1.09 0.15 0.00 0.00 0.00 175.76 176.90 1vao s LYS 430 N -2.99 0.27 -1.13 0.00 1.02 -1.26 -1.02 119.74 114.62 1vao s LYS 430 Ca 0.06 0.56 -0.09 0.00 0.02 0.00 0.00 55.97 56.52 1vao s LYS 430 Cb -0.01 -1.71 0.27 0.00 -0.52 0.00 0.00 37.83 35.85 1vao s LYS 430 CO -0.01 -2.85 1.20 0.28 -0.92 0.00 0.00 175.35 173.04 1vao n VAL 431 N -4.27 4.59 -3.75 3.17 0.31 -1.26 -4.53 118.33 112.59 1vao n VAL 431 Ca 0.05 -5.33 -0.13 0.00 -0.01 0.00 0.00 64.34 58.93 1vao n VAL 431 Cb 0.57 -2.53 -0.13 0.00 -0.91 0.00 0.00 33.84 30.84 1vao n VAL 431 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1vao s SER 432 N 1.27 -0.23 0.20 4.52 0.15 -1.26 -4.77 113.70 113.58 1vao s SER 432 Ca 0.33 0.46 -0.11 0.00 0.70 0.00 0.00 55.95 57.33 1vao s SER 432 Cb -0.08 0.37 0.15 0.00 -1.71 0.00 0.00 66.02 64.75 1vao s SER 432 CO -0.05 -0.15 1.86 1.23 1.20 0.00 0.00 173.24 177.34 1vao h GLY 433 N 6.95 0.99 0.65 9.45 0.00 -1.84 0.81 103.07 120.08 1vao h GLY 433 Ca -0.38 -0.36 0.03 0.00 0.00 0.00 0.00 47.33 46.62 1vao h GLY 433 CO 0.38 0.34 -0.05 -2.09 0.00 0.00 0.00 176.54 175.12 1vao h GLU 434 N 0.92 -0.01 -0.26 4.80 4.81 -1.94 0.20 114.58 123.10 1vao h GLU 434 Ca 0.26 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.36 1vao h GLU 434 Cb -0.07 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 1vao h GLU 434 CO -0.07 -0.01 -0.37 0.22 -0.73 0.00 0.00 179.01 178.05 1vao h ASP 435 N -0.01 0.77 -0.05 1.04 3.58 -1.86 -1.24 116.42 118.64 1vao h ASP 435 Ca 0.08 -0.51 -0.07 0.00 0.42 0.00 0.00 57.03 56.96 1vao h ASP 435 Cb 0.14 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 1vao h ASP 435 CO -0.18 1.13 -0.14 0.00 -2.88 0.00 0.00 179.24 177.17 1vao h ALA 436 N 0.66 1.33 -0.25 -0.78 0.00 -0.66 -0.36 119.26 119.21 1vao h ALA 436 Ca 0.03 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 1vao h ALA 436 Cb 0.95 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1vao h ALA 436 CO 0.09 0.45 -0.28 1.98 0.00 0.00 0.00 179.25 181.49 1vao h MET 437 N 0.36 0.63 -0.17 0.00 1.85 -0.46 -1.40 114.93 115.73 1vao h MET 437 Ca 0.07 -0.34 0.02 0.00 -0.61 0.00 0.00 59.70 58.83 1vao h MET 437 Cb 0.47 0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.50 1vao h MET 437 CO 0.03 0.95 0.04 1.98 -0.40 0.00 0.00 176.91 179.50 1vao h MET 438 N 0.34 0.11 -0.35 0.39 -1.53 -0.82 -0.97 114.93 112.09 1vao h MET 438 Ca 0.04 -0.01 -0.02 0.00 -3.44 0.00 0.00 59.70 56.27 1vao h MET 438 Cb 0.85 -0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.86 1vao h MET 438 CO 0.07 0.07 0.14 0.37 0.14 0.00 0.00 176.91 177.70 1vao h GLN 439 N 0.11 0.53 -0.93 0.39 4.15 -1.01 -1.96 115.11 116.40 1vao h GLN 439 Ca 0.08 -0.10 0.10 0.00 0.77 0.00 0.00 58.65 59.50 1vao h GLN 439 Cb 0.06 -0.09 -0.07 0.00 0.21 0.00 0.00 27.48 27.60 1vao h GLN 439 CO -0.10 0.52 0.59 -0.92 -1.93 0.00 0.00 178.83 177.00 1vao h TYR 440 N 0.43 1.01 0.52 3.99 3.20 -1.02 -1.96 116.97 123.14 1vao h TYR 440 Ca 0.12 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 1vao h TYR 440 Cb 0.19 -0.32 0.01 0.00 1.54 0.00 0.00 36.73 38.14 1vao h TYR 440 CO -0.00 0.45 -0.25 0.00 -1.64 0.00 0.00 178.16 176.71 1vao h ALA 441 N 1.55 -0.70 -0.33 1.82 0.00 -0.44 0.18 119.26 121.33 1vao h ALA 441 Ca 0.44 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.25 1vao h ALA 441 Cb 0.43 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 1vao h ALA 441 CO -0.20 -0.88 -0.08 0.28 0.00 0.00 0.00 179.25 178.37 1vao h VAL 442 N -0.74 0.66 -0.10 0.00 2.07 -1.24 0.84 116.25 117.74 1vao h VAL 442 Ca -0.07 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.32 1vao h VAL 442 Cb 0.56 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1vao h VAL 442 CO 0.12 0.00 -0.50 0.74 0.02 0.00 0.00 177.57 177.95 1vao h THR 443 N -0.00 1.34 -0.09 2.57 2.02 -1.27 -2.66 112.91 114.81 1vao h THR 443 Ca 0.16 -1.73 -0.06 0.00 0.77 0.00 0.00 66.41 65.55 1vao h THR 443 Cb 0.25 1.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1vao h THR 443 CO -0.34 0.52 -0.17 0.50 0.37 0.00 0.00 175.52 176.40 1vao h LYS 444 N 0.21 0.28 0.20 6.66 3.64 -0.11 -2.13 116.57 125.32 1vao h LYS 444 Ca 0.01 -0.17 0.01 0.00 -1.27 0.00 0.00 60.65 59.23 1vao h LYS 444 Cb 0.96 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.76 1vao h LYS 444 CO 0.08 0.76 -0.43 -0.22 -2.27 0.00 0.00 179.45 177.37 1vao h LYS 445 N -0.17 -0.69 -0.74 1.90 3.64 -0.85 -0.54 116.57 119.12 1vao h LYS 445 Ca 0.01 0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.52 1vao h LYS 445 Cb 0.74 0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.67 1vao h LYS 445 CO 0.04 -0.46 0.48 0.00 -2.27 0.00 0.00 179.45 177.24 1vao h ARG 446 N -0.72 0.64 -0.02 1.90 2.47 -1.48 0.51 114.38 117.68 1vao h ARG 446 Ca 0.00 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.66 1vao h ARG 446 Cb 0.71 -0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 28.88 1vao h ARG 446 CO -0.20 0.42 -0.12 0.00 0.56 0.00 0.00 179.97 180.63 1vao h GLN 448 N 0.03 -0.22 -0.52 0.00 7.50 0.15 0.54 115.11 122.59 1vao h GLN 448 Ca 0.00 0.02 0.15 0.00 0.50 0.00 0.00 58.65 59.32 1vao h GLN 448 Cb 0.24 0.05 -0.02 0.00 0.05 0.00 0.00 27.48 27.80 1vao h GLN 448 CO 0.02 0.17 0.44 0.93 -1.50 0.00 0.00 178.83 178.89 1vao h GLU 449 N -0.70 0.00 -0.01 1.46 5.08 -0.89 1.33 114.58 120.85 1vao h GLU 449 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1vao h GLU 449 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1vao h GLU 449 CO 0.04 0.00 -0.06 0.00 -1.00 0.00 0.00 179.01 177.99 1vao n ALA 450 N -2.50 2.71 -2.68 3.43 0.00 -0.73 -4.91 120.51 115.83 1vao n ALA 450 Ca 0.10 -0.30 -0.06 0.00 0.00 0.00 0.00 53.44 53.17 1vao n ALA 450 Cb 0.66 -1.33 0.02 0.00 0.00 0.00 0.00 19.45 18.79 1vao n ALA 450 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vao n GLY 451 N 1.19 0.49 3.12 0.00 0.00 0.46 -4.96 105.19 105.48 1vao n GLY 451 Ca 0.18 -0.47 -0.16 0.00 0.00 0.00 0.00 46.02 45.57 1vao n GLY 451 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vao s LEU 452 N -2.52 2.24 0.20 0.99 1.43 0.18 -4.62 118.68 116.59 1vao s LEU 452 Ca 0.13 -0.54 -0.30 0.00 -1.03 0.00 0.00 54.13 52.39 1vao s LEU 452 Cb -0.06 -0.38 -0.08 0.00 0.03 0.00 0.00 46.19 45.70 1vao s LEU 452 CO 0.16 -0.10 1.18 -1.81 0.23 0.00 0.00 176.35 176.01 1vao s ASP 453 N -1.52 7.11 0.17 2.29 1.01 -1.26 -4.16 116.67 120.32 1vao s ASP 453 Ca -0.04 2.25 -0.28 0.00 0.71 0.00 0.00 52.55 55.18 1vao s ASP 453 Cb -0.09 -2.61 -0.08 0.00 1.01 0.00 0.00 42.92 41.15 1vao s ASP 453 CO 0.01 -0.33 0.87 0.12 0.21 0.00 0.00 175.17 176.05 1vao s PHE 454 N -0.28 3.91 -0.12 4.23 2.19 -1.26 -4.79 117.98 121.86 1vao s PHE 454 Ca 0.51 1.76 -0.07 0.00 0.33 0.00 0.00 56.93 59.46 1vao s PHE 454 Cb -0.33 -2.91 0.04 0.00 -1.31 0.00 0.00 43.02 38.52 1vao s PHE 454 CO 0.38 0.42 0.29 0.42 1.83 0.00 0.00 175.22 178.56 1vao s ILE 455 N -0.86 -0.03 0.05 3.12 1.01 -1.26 -4.87 121.20 118.36 1vao s ILE 455 Ca 0.40 0.10 -0.25 0.00 0.00 0.00 0.00 60.65 60.90 1vao s ILE 455 Cb -0.24 -0.44 0.08 0.00 0.01 0.00 0.00 42.46 41.88 1vao s ILE 455 CO 0.29 0.04 1.14 0.61 0.00 0.00 0.00 174.94 177.02 1vao n GLY 456 N 3.89 0.38 3.58 6.18 0.00 -1.26 0.45 105.19 118.40 1vao n GLY 456 Ca -0.22 -1.08 -0.15 0.00 0.00 0.00 0.00 46.02 44.57 1vao n GLY 456 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vao s THR 457 N -2.04 0.00 -0.20 2.61 2.01 -1.19 -1.57 115.64 115.26 1vao s THR 457 Ca 0.26 -0.01 -0.08 0.00 0.31 0.00 0.00 61.69 62.18 1vao s THR 457 Cb -0.01 -0.98 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1vao s THR 457 CO 0.02 -0.00 0.07 -0.36 -0.69 0.00 0.00 174.62 173.66 1vao s PHE 458 N -0.18 3.21 -0.18 4.92 0.40 -0.62 -0.38 117.98 125.16 1vao s PHE 458 Ca -0.04 -0.03 -0.13 0.00 -0.60 0.00 0.00 56.93 56.14 1vao s PHE 458 Cb -0.03 -2.14 -0.05 0.00 0.51 0.00 0.00 43.02 41.31 1vao s PHE 458 CO 0.04 0.02 0.26 0.95 0.70 0.00 0.00 175.22 177.19 1vao s THR 459 N 0.76 5.32 -0.63 0.64 -4.23 0.38 -2.03 115.64 115.85 1vao s THR 459 Ca 0.04 0.46 -0.28 0.00 -1.18 0.00 0.00 61.69 60.73 1vao s THR 459 Cb -0.13 -3.60 0.03 0.00 1.34 0.00 0.00 72.50 70.13 1vao s THR 459 CO 0.02 0.38 1.27 -0.69 -0.54 0.00 0.00 174.62 175.07 1vao s VAL 460 N 0.58 3.86 0.87 2.29 1.01 -0.33 -0.70 120.40 127.98 1vao s VAL 460 Ca 0.14 0.68 -0.09 0.00 0.00 0.00 0.00 61.98 62.71 1vao s VAL 460 Cb -0.13 -4.73 0.18 0.00 0.00 0.00 0.00 36.38 31.70 1vao s VAL 460 CO 0.03 -1.48 1.19 -0.83 0.00 0.00 0.00 175.10 174.01 1vao s GLY 461 N 3.58 1.78 0.34 4.51 0.00 0.27 -4.21 107.32 113.59 1vao s GLY 461 Ca 0.42 -1.51 0.18 0.00 0.00 0.00 0.00 44.72 43.81 1vao s GLY 461 CO 0.22 -0.80 1.62 1.98 0.00 0.00 0.00 173.10 176.12 1vao h MET 462 N -1.21 0.00 0.00 2.90 1.85 -1.95 -3.38 114.93 113.15 1vao h MET 462 Ca -0.40 0.00 -0.08 0.00 -0.61 0.00 0.00 59.70 58.61 1vao h MET 462 Cb 1.24 0.00 -0.13 0.00 0.43 0.00 0.00 31.60 33.14 1vao h MET 462 CO 0.36 0.41 -0.41 -2.13 -0.40 0.00 0.00 176.91 174.75 1vao n ARG 463 N -3.38 0.00 -3.60 0.39 0.63 -1.26 -4.38 116.66 105.06 1vao n ARG 463 Ca 0.01 -0.94 -0.08 0.00 -0.92 0.00 0.00 57.85 55.92 1vao n ARG 463 Cb 0.60 0.07 -0.02 0.00 0.45 0.00 0.00 32.46 33.56 1vao n ARG 463 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1vao s GLU 464 N 0.00 1.14 0.01 -0.14 -6.30 -1.26 -4.51 118.70 107.65 1vao s GLU 464 Ca 0.07 -0.52 0.01 0.00 -2.50 0.00 0.00 54.97 52.03 1vao s GLU 464 Cb 0.08 0.46 -0.01 0.00 0.00 0.00 0.00 34.13 34.66 1vao s GLU 464 CO -0.04 -0.51 -0.04 -1.64 0.02 0.00 0.00 175.26 173.06 1vao s MET 465 N -3.40 0.29 -0.42 4.30 -1.94 -0.18 -0.56 119.30 117.38 1vao s MET 465 Ca 0.07 -0.39 -0.16 0.00 -1.71 0.00 0.00 55.69 53.50 1vao s MET 465 Cb -0.02 -0.09 0.02 0.00 2.01 0.00 0.00 34.83 36.75 1vao s MET 465 CO -0.05 0.01 0.35 -1.01 -0.01 0.00 0.00 175.02 174.31 1vao s HIS 466 N -0.80 3.22 -0.75 -0.03 3.76 0.13 -2.19 115.29 118.63 1vao s HIS 466 Ca -0.07 -0.52 -0.21 0.00 -0.15 0.00 0.00 55.06 54.10 1vao s HIS 466 Cb -0.06 -2.71 0.09 0.00 1.11 0.00 0.00 32.58 31.01 1vao s HIS 466 CO -0.00 -0.63 1.02 -1.58 -0.85 0.00 0.00 174.74 172.70 1vao s HIS 467 N 1.84 2.80 -1.01 1.40 2.46 -0.52 -0.47 115.29 121.79 1vao s HIS 467 Ca 0.07 -0.81 -0.19 0.00 0.47 0.00 0.00 55.06 54.60 1vao s HIS 467 Cb -0.18 -4.30 0.11 0.00 -0.13 0.00 0.00 32.58 28.07 1vao s HIS 467 CO 0.11 -1.61 1.30 0.42 -2.47 0.00 0.00 174.74 172.49 1vao s ILE 468 N 3.69 4.48 -0.37 0.89 -1.09 0.49 -3.58 121.20 125.71 1vao s ILE 468 Ca 0.26 -1.46 -0.28 0.00 -2.23 0.00 0.00 60.65 56.93 1vao s ILE 468 Cb -0.13 -4.90 -0.01 0.00 -1.58 0.00 0.00 42.46 35.83 1vao s ILE 468 CO 0.04 -1.68 1.72 -0.69 -1.23 0.00 0.00 174.94 173.09 1vao s VAL 469 N 3.36 3.56 -0.96 2.92 1.01 -0.36 -3.14 120.40 126.79 1vao s VAL 469 Ca 0.39 0.55 -0.22 0.00 0.00 0.00 0.00 61.98 62.70 1vao s VAL 469 Cb -0.03 -3.80 0.07 0.00 0.00 0.00 0.00 36.38 32.63 1vao s VAL 469 CO -0.08 -0.54 1.33 0.00 0.00 0.00 0.00 175.10 175.82 1vao s ILE 471 N 4.43 3.62 -0.04 0.00 1.01 -0.39 -4.41 121.20 125.43 1vao s ILE 471 Ca 0.41 0.59 -0.01 0.00 0.00 0.00 0.00 60.65 61.63 1vao s ILE 471 Cb -0.03 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 1vao s ILE 471 CO -0.07 -0.72 0.05 0.68 0.00 0.00 0.00 174.94 174.88 1vao s VAL 472 N 6.73 4.56 0.24 2.92 -7.23 -1.26 -1.34 120.40 125.03 1vao s VAL 472 Ca 0.68 -0.35 -0.17 0.00 -1.81 0.00 0.00 61.98 60.33 1vao s VAL 472 Cb -0.16 -3.02 0.01 0.00 0.56 0.00 0.00 36.38 33.77 1vao s VAL 472 CO 0.30 0.45 0.57 0.72 -0.31 0.00 0.00 175.10 176.83 1vao s PHE 473 N -1.07 0.03 -0.52 2.82 -0.71 0.18 -4.88 117.98 113.84 1vao s PHE 473 Ca 0.19 -0.42 -0.22 0.00 -1.04 0.00 0.00 56.93 55.43 1vao s PHE 473 Cb -0.12 0.42 0.04 0.00 -1.21 0.00 0.00 43.02 42.15 1vao s PHE 473 CO 0.09 -1.05 0.81 1.21 -1.34 0.00 0.00 175.22 174.95 1vao s ASN 474 N -2.94 6.32 0.17 1.98 3.84 -1.21 0.63 114.94 123.73 1vao s ASN 474 Ca 0.15 -0.46 0.12 0.00 0.21 0.00 0.00 52.86 52.88 1vao s ASN 474 Cb -0.02 -2.38 0.65 0.00 -0.55 0.00 0.00 41.25 38.94 1vao s ASN 474 CO 0.05 -1.06 1.38 2.29 -2.79 0.00 0.00 177.10 176.97 1vao n LYS 475 N 6.92 0.08 -0.05 0.43 2.85 0.12 -1.90 118.16 126.61 1vao n LYS 475 Ca -0.01 0.55 0.12 0.00 -1.05 0.00 0.00 58.31 57.93 1vao n LYS 475 Cb 0.47 -1.74 0.20 0.00 -0.65 0.00 0.00 35.03 33.31 1vao n LYS 475 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1vao n LYS 476 N -1.91 2.25 -3.59 -1.58 5.02 -1.26 -4.87 118.16 112.22 1vao n LYS 476 Ca -0.00 -1.83 -0.40 0.00 -2.02 0.00 0.00 58.31 54.05 1vao n LYS 476 Cb 0.04 -1.47 -0.09 0.00 -0.02 0.00 0.00 35.03 33.48 1vao n LYS 476 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1vao s ASP 477 N -1.85 5.64 0.20 4.39 -1.08 -0.80 -5.00 116.67 118.18 1vao s ASP 477 Ca 0.32 -1.74 -0.10 0.00 -0.52 0.00 0.00 52.55 50.51 1vao s ASP 477 Cb 0.21 -1.99 0.21 0.00 -1.46 0.00 0.00 42.92 39.88 1vao s ASP 477 CO 0.31 -0.62 1.81 -0.07 0.52 0.00 0.00 175.17 177.12 1vao h LEU 478 N 8.41 0.55 -0.84 -1.34 4.07 -1.89 0.42 115.31 124.68 1vao h LEU 478 Ca -0.21 0.02 0.01 0.00 0.08 0.00 0.00 57.88 57.77 1vao h LEU 478 Cb 1.08 -0.09 -0.04 0.00 1.08 0.00 0.00 40.66 42.69 1vao h LEU 478 CO 0.81 0.36 0.55 0.40 -1.08 0.00 0.00 178.44 179.48 1vao h ILE 479 N 0.68 1.22 0.00 1.22 5.03 -1.97 -1.29 117.51 122.41 1vao h ILE 479 Ca 0.28 -0.41 -0.00 0.00 -0.12 0.00 0.00 64.86 64.60 1vao h ILE 479 Cb 0.14 -0.01 0.00 0.00 -3.03 0.00 0.00 36.82 33.92 1vao h ILE 479 CO -0.16 0.22 -0.00 -0.61 -0.68 0.00 0.00 178.15 176.91 1vao h GLN 480 N 1.14 -0.00 -0.99 2.37 4.15 -1.74 -1.93 115.11 118.10 1vao h GLN 480 Ca 0.31 0.00 0.21 0.00 0.77 0.00 0.00 58.65 59.94 1vao h GLN 480 Cb -0.12 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 27.48 1vao h GLN 480 CO -0.06 0.51 0.62 0.87 -1.93 0.00 0.00 178.83 178.84 1vao h LYS 481 N -0.52 0.58 -0.41 1.69 1.57 -0.05 0.84 116.57 120.27 1vao h LYS 481 Ca -0.00 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 1vao h LYS 481 Cb 0.52 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1vao h LYS 481 CO 0.00 0.39 -0.13 0.00 -0.57 0.00 0.00 179.45 179.13 1vao h ARG 482 N 0.60 0.75 -0.18 3.15 3.08 -1.05 -2.04 114.38 118.69 1vao h ARG 482 Ca 0.57 -0.25 -0.10 0.00 0.07 0.00 0.00 59.98 60.27 1vao h ARG 482 Cb 1.11 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 1vao h ARG 482 CO -0.33 0.84 -0.31 0.87 -1.07 0.00 0.00 179.97 179.97 1vao h LYS 483 N 0.67 0.35 -0.82 0.04 1.57 0.13 -1.81 116.57 116.71 1vao h LYS 483 Ca 0.11 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1vao h LYS 483 Cb 0.61 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.86 1vao h LYS 483 CO 0.04 0.63 0.41 0.28 -0.57 0.00 0.00 179.45 180.23 1vao h VAL 484 N 0.31 1.25 -0.14 0.50 2.07 0.20 0.28 116.25 120.72 1vao h VAL 484 Ca 0.04 -0.68 -0.12 0.00 0.82 0.00 0.00 66.70 66.76 1vao h VAL 484 Cb 0.70 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1vao h VAL 484 CO 0.05 0.29 -0.43 1.56 0.02 0.00 0.00 177.57 179.07 1vao h GLN 485 N 1.15 0.32 -0.27 1.57 4.20 -1.20 -0.00 115.11 120.88 1vao h GLN 485 Ca 0.28 -0.16 -0.14 0.00 0.06 0.00 0.00 58.65 58.69 1vao h GLN 485 Cb 0.10 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 1vao h GLN 485 CO -0.04 0.70 -0.39 2.35 -0.67 0.00 0.00 178.83 180.78 1vao h TRP 486 N 0.27 0.91 0.22 2.96 7.01 -0.54 -2.68 115.95 124.09 1vao h TRP 486 Ca 0.02 -0.30 0.00 0.00 2.11 0.00 0.00 58.89 60.72 1vao h TRP 486 Cb 0.86 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.73 1vao h TRP 486 CO 0.02 1.08 -0.19 1.25 -2.79 0.00 0.00 178.44 177.81 1vao h LEU 487 N 0.47 -0.51 0.04 0.65 5.85 -0.09 -2.27 115.31 119.46 1vao h LEU 487 Ca 0.03 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.81 1vao h LEU 487 Cb 0.98 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.13 1vao h LEU 487 CO 0.09 -0.29 -0.48 0.24 -0.34 0.00 0.00 178.44 177.66 1vao h MET 488 N -0.43 -0.63 0.00 1.25 2.86 -1.01 0.45 114.93 117.41 1vao h MET 488 Ca -0.01 0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1vao h MET 488 Cb 0.40 0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.20 1vao h MET 488 CO -0.03 -0.42 -0.01 0.00 1.06 0.00 0.00 176.91 177.50 1vao h ARG 489 N -0.66 0.00 -0.01 1.72 3.08 -1.46 0.96 114.38 118.01 1vao h ARG 489 Ca 0.02 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 1vao h ARG 489 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1vao h ARG 489 CO -0.31 0.01 -0.11 1.15 -1.07 0.00 0.00 179.97 179.64 1vao h THR 490 N 0.00 1.56 -0.70 2.04 2.02 -0.75 -2.42 112.91 114.65 1vao h THR 490 Ca -0.00 -1.79 0.08 0.00 0.77 0.00 0.00 66.41 65.48 1vao h THR 490 Cb 0.02 2.71 -0.07 0.00 -1.74 0.00 0.00 68.15 69.07 1vao h THR 490 CO 0.00 0.48 0.36 -0.07 0.37 0.00 0.00 175.52 176.66 1vao h LEU 491 N -0.60 0.49 -0.12 2.58 3.38 0.69 0.18 115.31 121.91 1vao h LEU 491 Ca -0.01 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.06 1vao h LEU 491 Cb 0.84 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.50 1vao h LEU 491 CO 0.02 0.29 -0.23 0.40 0.09 0.00 0.00 178.44 179.01 1vao h ILE 492 N 0.63 0.44 -0.27 1.22 2.04 -0.86 0.27 117.51 120.98 1vao h ILE 492 Ca 0.34 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.16 1vao h ILE 492 Cb 0.32 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1vao h ILE 492 CO -0.25 0.00 0.02 0.44 0.00 0.00 0.00 178.15 178.36 1vao h ASP 493 N -0.30 0.45 -0.09 1.72 3.32 -0.79 -2.66 116.42 118.08 1vao h ASP 493 Ca 0.10 -0.29 0.03 0.00 0.02 0.00 0.00 57.03 56.89 1vao h ASP 493 Cb 0.44 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 1vao h ASP 493 CO -0.29 0.63 -0.11 0.44 -1.72 0.00 0.00 179.24 178.19 1vao h ASP 494 N 0.26 -0.34 -0.70 6.45 3.32 -0.34 -1.37 116.42 123.69 1vao h ASP 494 Ca 0.08 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 1vao h ASP 494 Cb 0.39 0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.07 1vao h ASP 494 CO 0.01 -0.15 0.43 0.00 -1.72 0.00 0.00 179.24 177.80 1vao h ALA 496 N 1.49 1.28 0.00 0.00 0.00 -1.09 0.12 119.26 121.07 1vao h ALA 496 Ca 0.26 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1vao h ALA 496 Cb -0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1vao h ALA 496 CO -0.05 0.51 -0.03 0.00 0.00 0.00 0.00 179.25 179.68 1vao h ALA 497 N 1.40 1.26 -0.59 0.00 0.00 -0.20 0.53 119.26 121.65 1vao h ALA 497 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1vao h ALA 497 Cb 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1vao h ALA 497 CO -0.01 0.04 0.00 0.09 0.00 0.00 0.00 179.25 179.37 1vao n ASN 498 N -3.50 3.43 0.00 0.00 3.02 0.25 -4.95 115.26 113.51 1vao n ASN 498 Ca -0.02 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.54 1vao n ASN 498 Cb 0.14 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 1vao n ASN 498 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vao n GLY 499 N 1.52 0.46 3.10 7.41 0.00 0.18 -5.06 105.19 112.80 1vao n GLY 499 Ca 0.21 -0.94 -0.21 0.00 0.00 0.00 0.00 46.02 45.08 1vao n GLY 499 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1vao s TRP 500 N -2.00 1.16 0.14 1.61 0.51 -0.19 -4.98 118.94 115.18 1vao s TRP 500 Ca 0.00 -0.26 0.05 0.00 -2.12 0.00 0.00 56.10 53.77 1vao s TRP 500 Cb 0.00 -0.73 -0.04 0.00 -0.81 0.00 0.00 33.47 31.89 1vao s TRP 500 CO 0.00 -0.00 -0.11 0.20 -0.51 0.00 0.00 176.95 176.52 1vao s GLY 501 N -0.58 1.06 0.49 0.98 0.00 -1.26 -2.30 107.32 105.71 1vao s GLY 501 Ca 0.04 -1.40 -0.19 0.00 0.00 0.00 0.00 44.72 43.16 1vao s GLY 501 CO 0.00 -1.49 1.01 -0.54 0.00 0.00 0.00 173.10 172.08 1vao s GLU 502 N -3.32 3.86 -0.03 2.90 8.01 -1.26 -2.95 118.70 125.91 1vao s GLU 502 Ca 0.13 1.24 0.18 0.00 0.01 0.00 0.00 54.97 56.53 1vao s GLU 502 Cb -0.00 -2.11 -0.21 0.00 -4.31 0.00 0.00 34.13 27.50 1vao s GLU 502 CO 0.01 -0.37 0.55 2.48 0.01 0.00 0.00 175.26 177.95 1vao n TYR 503 N -1.09 0.55 -3.57 1.61 4.11 -0.53 -4.95 117.16 113.29 1vao n TYR 503 Ca 0.08 0.19 -0.12 0.00 -0.00 0.00 0.00 57.90 58.05 1vao n TYR 503 Cb 0.53 -0.97 -0.04 0.00 -0.00 0.00 0.00 39.34 38.86 1vao n TYR 503 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.86 177.36 1vao s ARG 504 N -2.89 1.09 0.38 -3.48 3.52 -1.26 -5.09 118.95 111.22 1vao s ARG 504 Ca -0.06 -0.48 -0.13 0.00 -0.13 0.00 0.00 55.73 54.94 1vao s ARG 504 Cb 0.09 0.49 0.05 0.00 -1.56 0.00 0.00 34.95 34.01 1vao s ARG 504 CO 0.83 -0.42 0.74 0.99 -0.81 0.00 0.00 175.30 176.63 1vao s THR 505 N -3.24 0.00 0.55 4.11 2.01 -1.26 -4.53 115.64 113.28 1vao s THR 505 Ca -0.01 -1.11 -0.10 0.00 0.31 0.00 0.00 61.69 60.79 1vao s THR 505 Cb 0.00 -2.86 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 1vao s THR 505 CO -0.08 0.00 0.93 -2.28 -0.69 0.00 0.00 174.62 172.50 1vao s HIS 506 N -2.39 3.58 0.33 4.92 2.46 -1.26 -4.82 115.29 118.12 1vao s HIS 506 Ca 0.18 1.14 0.12 0.00 0.47 0.00 0.00 55.06 56.97 1vao s HIS 506 Cb -0.04 -2.58 0.98 0.00 -0.13 0.00 0.00 32.58 30.81 1vao s HIS 506 CO 0.13 -0.49 1.70 -0.07 -2.47 0.00 0.00 174.74 173.54 1vao h LEU 507 N 0.07 0.60 0.00 8.88 3.38 -1.67 -0.41 115.31 126.16 1vao h LEU 507 Ca -0.45 0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1vao h LEU 507 Cb 1.19 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1vao h LEU 507 CO 0.62 0.01 0.00 0.00 0.09 0.00 0.00 178.44 179.16 1vao n ALA 508 N -2.31 2.41 -0.32 1.53 0.00 -1.26 -4.02 120.51 116.54 1vao n ALA 508 Ca 0.29 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1vao n ALA 508 Cb 0.85 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.86 1vao n ALA 508 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1vao n PHE 509 N -1.17 0.00 -0.14 0.00 3.72 -0.17 -4.77 117.46 114.93 1vao n PHE 509 Ca 0.16 -0.18 -0.04 0.00 -0.05 0.00 0.00 57.45 57.35 1vao n PHE 509 Cb 0.17 -0.02 0.03 0.00 -0.94 0.00 0.00 39.48 38.72 1vao n PHE 509 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 1vao h MET 510 N 0.00 0.04 0.04 -1.08 2.86 -1.68 1.05 114.93 116.17 1vao h MET 510 Ca 0.00 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1vao h MET 510 Cb 0.42 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1vao h MET 510 CO 0.00 0.03 -0.02 -0.44 1.06 0.00 0.00 176.91 177.54 1vao h ASP 511 N 0.05 -0.05 0.13 1.22 3.32 -1.86 0.50 116.42 119.74 1vao h ASP 511 Ca 0.22 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.17 1vao h ASP 511 Cb 0.33 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 1vao h ASP 511 CO -0.42 0.08 -0.23 -0.61 -1.72 0.00 0.00 179.24 176.35 1vao h GLN 512 N -0.18 -0.42 -0.60 3.56 4.15 -1.63 0.22 115.11 120.21 1vao h GLN 512 Ca -0.01 0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 1vao h GLN 512 Cb 0.16 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 1vao h GLN 512 CO 0.01 -0.28 0.38 0.82 -1.93 0.00 0.00 178.83 177.83 1vao h ILE 513 N -0.43 1.17 -0.14 2.39 2.04 0.13 -1.78 117.51 120.88 1vao h ILE 513 Ca 0.02 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 1vao h ILE 513 Cb 0.45 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1vao h ILE 513 CO -0.11 0.17 0.01 -0.03 0.00 0.00 0.00 178.15 178.19 1vao h MET 514 N 0.82 0.20 0.00 2.37 4.05 0.83 -0.24 114.93 122.96 1vao h MET 514 Ca 0.22 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.61 1vao h MET 514 Cb -0.04 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.72 1vao h MET 514 CO -0.04 0.21 0.00 1.49 0.23 0.00 0.00 176.91 178.80 1vao h GLU 515 N 0.20 0.00 -0.02 0.39 4.57 0.30 -1.69 114.58 118.33 1vao h GLU 515 Ca 0.05 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 58.04 1vao h GLU 515 Cb 0.13 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1vao h GLU 515 CO 0.00 0.00 -0.81 1.15 -1.18 0.00 0.00 179.01 178.17 1vao h THR 516 N 0.00 1.45 -0.11 0.32 2.02 -0.83 -3.29 112.91 112.47 1vao h THR 516 Ca 0.00 -2.41 -0.12 0.00 0.77 0.00 0.00 66.41 64.65 1vao h THR 516 Cb 0.16 2.32 -0.04 0.00 -1.74 0.00 0.00 68.15 68.85 1vao h THR 516 CO 0.00 0.71 -0.04 -1.22 0.37 0.00 0.00 175.52 175.34 1vao n TYR 517 N -3.73 0.26 0.64 3.16 4.02 -0.64 -4.69 117.16 116.18 1vao n TYR 517 Ca -0.04 -1.30 0.03 0.00 -0.01 0.00 0.00 57.90 56.58 1vao n TYR 517 Cb 0.76 -0.91 0.12 0.00 -0.02 0.00 0.00 39.34 39.29 1vao n TYR 517 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1vao n ASN 518 N 1.61 2.15 -4.56 7.72 0.23 -1.24 -4.67 115.26 116.50 1vao n ASN 518 Ca 0.18 -2.21 -0.47 0.00 -0.53 0.00 0.00 54.58 51.55 1vao n ASN 518 Cb 0.63 -0.44 -0.03 0.00 -2.08 0.00 0.00 39.78 37.86 1vao n ASN 518 CO 0.00 0.00 0.00 1.87 -0.93 0.00 0.00 177.26 178.20 1vao n TRP 519 N 0.20 1.10 -3.31 -2.53 -0.00 -1.26 -2.24 117.44 109.40 1vao n TRP 519 Ca 0.09 0.72 -0.21 0.00 -0.00 0.00 0.00 57.50 58.10 1vao n TRP 519 Cb 0.45 -2.23 0.02 0.00 -0.00 0.00 0.00 31.31 29.54 1vao n TRP 519 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 177.69 175.98 1vao n ASN 520 N 1.71 -6.43 -2.91 5.87 4.05 -1.26 -3.19 115.26 113.10 1vao n ASN 520 Ca 0.13 -0.13 -0.14 0.00 0.45 0.00 0.00 54.58 54.90 1vao n ASN 520 Cb 0.27 -3.31 -0.01 0.00 1.23 0.00 0.00 39.78 37.96 1vao n ASN 520 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1vao n ASN 521 N -1.02 -2.54 -0.30 1.20 3.02 -1.21 -1.00 115.26 113.42 1vao n ASN 521 Ca -0.07 0.01 -0.03 0.00 -0.03 0.00 0.00 54.58 54.47 1vao n ASN 521 Cb 0.59 -2.20 -0.01 0.00 -0.61 0.00 0.00 39.78 37.56 1vao n ASN 521 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1vao n SER 522 N -1.88 -2.45 -0.38 6.41 7.64 -0.95 -4.94 113.62 117.07 1vao n SER 522 Ca -0.03 0.03 0.30 0.00 1.01 0.00 0.00 58.87 60.19 1vao n SER 522 Cb 0.53 -1.15 0.57 0.00 -1.01 0.00 0.00 64.21 63.16 1vao n SER 522 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1vao h SER 523 N 0.00 0.36 0.02 6.43 0.87 -1.03 -1.60 113.55 118.61 1vao h SER 523 Ca -0.07 0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1vao h SER 523 Cb 0.68 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1vao h SER 523 CO 0.09 -0.13 -0.01 0.15 -0.53 0.00 0.00 176.83 176.40 1vao h PHE 524 N 0.20 -0.03 -0.47 2.24 3.57 -1.83 -0.98 116.94 119.65 1vao h PHE 524 Ca 0.75 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 62.18 1vao h PHE 524 Cb 2.11 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 40.83 1vao h PHE 524 CO -0.01 0.40 -0.02 1.25 -2.23 0.00 0.00 178.31 177.70 1vao h LEU 525 N -0.46 0.76 -0.71 0.59 5.85 -1.62 -1.64 115.31 118.09 1vao h LEU 525 Ca -0.00 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 1vao h LEU 525 Cb 0.44 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1vao h LEU 525 CO 0.01 0.84 0.34 0.03 -0.34 0.00 0.00 178.44 179.32 1vao h ARG 526 N 0.73 1.02 -0.51 1.25 2.47 -1.32 0.34 114.38 118.35 1vao h ARG 526 Ca 0.14 -0.15 -0.04 0.00 -1.26 0.00 0.00 59.98 58.67 1vao h ARG 526 Cb 0.48 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.59 1vao h ARG 526 CO 0.02 0.80 0.15 0.35 0.56 0.00 0.00 179.97 181.85 1vao h PHE 527 N 0.99 0.84 -0.77 3.04 3.57 -0.92 -2.56 116.94 121.12 1vao h PHE 527 Ca 0.24 -0.09 0.02 0.00 3.53 0.00 0.00 57.97 61.67 1vao h PHE 527 Cb 0.12 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 38.58 1vao h PHE 527 CO 0.01 0.73 0.50 -0.91 -2.23 0.00 0.00 178.31 176.40 1vao h ASN 528 N 0.70 0.84 -0.58 0.41 2.35 -0.72 -2.58 115.58 115.99 1vao h ASN 528 Ca 0.16 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1vao h ASN 528 Cb 0.30 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 1vao h ASN 528 CO -0.00 0.60 0.38 -0.33 -1.65 0.00 0.00 177.43 176.42 1vao h GLU 529 N 1.00 0.77 -0.73 0.81 5.08 -0.05 -1.94 114.58 119.52 1vao h GLU 529 Ca 0.29 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.67 1vao h GLU 529 Cb -0.06 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 28.96 1vao h GLU 529 CO -0.08 0.52 0.41 0.28 -1.00 0.00 0.00 179.01 179.14 1vao h VAL 530 N 0.79 0.94 -0.27 3.13 2.07 -1.20 -1.75 116.25 119.96 1vao h VAL 530 Ca 0.21 -0.25 -0.18 0.00 0.82 0.00 0.00 66.70 67.31 1vao h VAL 530 Cb -0.07 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 29.84 1vao h VAL 530 CO -0.04 0.13 -0.53 -0.07 0.02 0.00 0.00 177.57 177.08 1vao h LEU 531 N 0.73 0.87 -0.61 2.57 3.38 -1.11 -3.16 115.31 117.99 1vao h LEU 531 Ca 0.34 -0.46 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 1vao h LEU 531 Cb 0.26 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1vao h LEU 531 CO -0.21 1.23 -0.34 0.50 0.09 0.00 0.00 178.44 179.71 1vao h LYS 532 N 0.61 0.74 0.00 1.13 1.63 -0.97 -2.98 116.57 116.73 1vao h LYS 532 Ca 0.02 -0.35 -0.08 0.00 -0.85 0.00 0.00 60.65 59.39 1vao h LYS 532 Cb 1.11 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.73 1vao h LYS 532 CO 0.11 0.96 -0.37 -0.91 -3.45 0.00 0.00 179.45 175.79 1vao h ASN 533 N 0.62 0.00 -0.09 4.20 2.35 -1.36 0.71 115.58 122.00 1vao h ASN 533 Ca 0.06 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1vao h ASN 533 Cb 0.87 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.23 1vao h ASN 533 CO 0.08 0.37 0.03 0.00 -1.65 0.00 0.00 177.43 176.26 1vao h ALA 534 N 1.63 0.12 0.00 -0.83 0.00 -1.51 -0.34 119.26 118.33 1vao h ALA 534 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1vao h ALA 534 Cb 0.68 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1vao h ALA 534 CO 0.05 -0.27 -0.60 1.33 0.00 0.00 0.00 179.25 179.76 1vao n VAL 535 N -4.91 0.12 -2.91 0.00 0.24 -1.13 -4.41 118.33 105.33 1vao n VAL 535 Ca -0.06 -0.11 -0.13 0.00 -2.04 0.00 0.00 64.34 62.01 1vao n VAL 535 Cb 0.13 0.14 0.02 0.00 -1.47 0.00 0.00 33.84 32.66 1vao n VAL 535 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1vao n ASP 536 N -1.73 0.19 -0.33 -1.34 2.03 0.25 -4.37 116.55 111.24 1vao n ASP 536 Ca 0.04 -2.98 0.24 0.00 0.52 0.00 0.00 54.79 52.62 1vao n ASP 536 Cb 0.38 0.00 0.48 0.00 -0.72 0.00 0.00 41.12 41.26 1vao n ASP 536 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1vao h PRO 537 N 2.89 0.20 -0.17 -0.67 0.11 -1.22 0.89 132.00 134.04 1vao h PRO 537 Ca -0.03 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1vao h PRO 537 Cb 1.09 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1vao h PRO 537 CO 0.38 0.13 0.00 0.09 -0.21 0.00 0.00 178.00 178.39 1vao n ASN 538 N -5.15 2.04 -3.69 -2.05 3.02 -1.26 -4.92 115.26 103.25 1vao n ASN 538 Ca 0.32 -1.74 -0.25 0.00 -0.03 0.00 0.00 54.58 52.88 1vao n ASN 538 Cb 1.02 -0.10 0.06 0.00 -0.61 0.00 0.00 39.78 40.15 1vao n ASN 538 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vao n GLY 539 N 1.22 -0.47 0.06 7.41 0.00 0.31 -4.92 105.19 108.80 1vao n GLY 539 Ca 0.17 0.20 0.12 0.00 0.00 0.00 0.00 46.02 46.50 1vao n GLY 539 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1vao n ILE 540 N -4.68 0.34 -3.57 -0.61 2.08 -1.26 -4.67 119.36 106.99 1vao n ILE 540 Ca -0.07 -0.35 -0.39 0.00 0.56 0.00 0.00 62.75 62.50 1vao n ILE 540 Cb 0.58 -0.05 -0.11 0.00 -0.75 0.00 0.00 39.64 39.31 1vao n ILE 540 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1vao s ILE 541 N -3.25 5.09 -1.08 1.39 -1.09 -1.26 0.48 121.20 121.48 1vao s ILE 541 Ca 0.03 -0.22 -0.30 0.00 -2.23 0.00 0.00 60.65 57.92 1vao s ILE 541 Cb 0.13 -3.58 0.04 0.00 -1.58 0.00 0.00 42.46 37.47 1vao s ILE 541 CO 0.78 0.05 0.61 0.00 -1.23 0.00 0.00 174.94 175.15 1vao n ALA 542 N 5.06 -2.48 -1.77 9.38 0.00 0.01 -4.83 120.51 125.89 1vao n ALA 542 Ca -0.13 -0.53 -0.40 0.00 0.00 0.00 0.00 53.44 52.38 1vao n ALA 542 Cb 0.50 -2.20 -0.01 0.00 0.00 0.00 0.00 19.45 17.74 1vao n ALA 542 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1vao s PRO 543 N -7.11 4.17 0.00 0.00 0.04 -1.26 -3.04 135.00 127.80 1vao s PRO 543 Ca 0.42 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.66 1vao s PRO 543 Cb -0.24 -2.92 0.00 0.00 0.04 0.00 0.00 34.50 31.38 1vao s PRO 543 CO 0.88 -0.34 0.00 0.41 0.04 0.00 0.00 177.00 177.99 1vao n GLY 544 N 0.72 3.01 3.68 0.56 0.00 0.36 -4.42 105.19 109.10 1vao n GLY 544 Ca 0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 1vao n GLY 544 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vao n LYS 545 N -2.00 2.06 -1.31 1.61 3.00 -1.17 0.20 118.16 120.55 1vao n LYS 545 Ca 0.00 0.73 -0.12 0.00 -0.00 0.00 0.00 58.31 58.92 1vao n LYS 545 Cb 0.00 -2.35 -0.05 0.00 0.00 0.00 0.00 35.03 32.63 1vao n LYS 545 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1vao n SER 546 N 1.57 -3.65 -0.30 3.14 7.64 -1.26 0.82 113.62 121.57 1vao n SER 546 Ca 0.09 0.30 -0.04 0.00 1.01 0.00 0.00 58.87 60.23 1vao n SER 546 Cb 0.33 -3.26 -0.01 0.00 -1.01 0.00 0.00 64.21 60.26 1vao n SER 546 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vao n GLY 547 N -0.15 0.63 3.52 0.23 0.00 0.13 -4.72 105.19 104.83 1vao n GLY 547 Ca -0.12 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 1vao n GLY 547 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vao s VAL 548 N -2.14 5.27 -0.18 1.61 1.01 0.24 -4.91 120.40 121.31 1vao s VAL 548 Ca 0.00 -0.24 -0.08 0.00 0.00 0.00 0.00 61.98 61.66 1vao s VAL 548 Cb 0.00 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1vao s VAL 548 CO 0.00 -0.05 0.08 0.26 0.00 0.00 0.00 175.10 175.39 1vao s TRP 549 N 1.75 3.32 0.79 5.22 0.52 -1.26 -0.49 118.94 128.78 1vao s TRP 549 Ca 0.07 0.19 -0.13 0.00 0.02 0.00 0.00 56.10 56.25 1vao s TRP 549 Cb -0.17 -2.07 0.07 0.00 -1.15 0.00 0.00 33.47 30.15 1vao s TRP 549 CO 0.11 0.26 1.16 -1.25 0.02 0.00 0.00 176.95 177.24 1vao s PRO 550 N 0.17 1.88 0.59 4.98 0.04 -1.26 -4.86 135.00 136.55 1vao s PRO 550 Ca 0.06 1.55 0.37 0.00 0.04 0.00 0.00 61.00 63.02 1vao s PRO 550 Cb -0.12 -1.82 1.80 0.00 0.04 0.00 0.00 34.50 34.40 1vao s PRO 550 CO -0.00 -1.99 2.15 0.66 0.04 0.00 0.00 177.00 177.86 1vao h SER 551 N -0.91 0.00 0.74 6.66 4.64 -1.92 -1.08 113.55 121.68 1vao h SER 551 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1vao h SER 551 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1vao h SER 551 CO 0.48 0.02 0.00 0.06 -0.87 0.00 0.00 176.83 176.51 1vao h GLN 552 N 0.00 0.00 -4.76 4.77 -0.00 -1.91 -3.41 115.11 109.80 1vao h GLN 552 Ca -0.00 0.00 -0.67 0.00 -0.00 0.00 0.00 58.65 57.98 1vao h GLN 552 Cb 0.29 0.00 -0.20 0.00 -0.00 0.00 0.00 27.48 27.57 1vao h GLN 552 CO 0.00 0.00 -0.52 0.71 -0.00 0.00 0.00 178.83 179.02 1vao s TYR 553 N -3.66 3.20 -0.06 0.06 1.51 -0.41 -5.08 117.35 112.92 1vao s TYR 553 Ca 0.01 -0.36 -0.30 0.00 -1.01 0.00 0.00 57.07 55.41 1vao s TYR 553 Cb 0.09 -2.41 -0.04 0.00 -0.11 0.00 0.00 41.96 39.49 1vao s TYR 553 CO 0.47 -0.39 1.40 0.45 -1.11 0.00 0.00 175.55 176.37 1vao s SER 554 N 1.67 6.85 0.44 2.29 0.15 -1.26 -4.71 113.70 119.14 1vao s SER 554 Ca 0.05 2.01 0.12 0.00 0.70 0.00 0.00 55.95 58.83 1vao s SER 554 Cb -0.17 -2.55 1.01 0.00 -1.71 0.00 0.00 66.02 62.60 1vao s SER 554 CO 0.08 -0.76 2.04 0.45 1.20 0.00 0.00 173.24 176.26 1vao h HIS 555 N 8.24 0.38 -0.49 3.44 -0.00 -1.95 1.20 115.15 125.97 1vao h HIS 555 Ca -0.35 0.01 -0.10 0.00 -0.00 0.00 0.00 60.37 59.93 1vao h HIS 555 Cb 1.16 -0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 28.42 1vao h HIS 555 CO 0.79 0.22 -0.10 0.28 -0.00 0.00 0.00 177.93 179.11 1vao h VAL 556 N 0.39 1.26 0.07 2.45 2.07 -1.95 -1.51 116.25 119.04 1vao h VAL 556 Ca 0.17 -1.21 -0.29 0.00 0.82 0.00 0.00 66.70 66.19 1vao h VAL 556 Cb 0.21 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1vao h VAL 556 CO -0.04 0.42 -1.54 0.74 0.02 0.00 0.00 177.57 177.17 1vao h THR 557 N 0.80 1.11 0.11 2.57 2.02 -1.56 -3.42 112.91 114.53 1vao h THR 557 Ca 0.13 -2.82 -0.33 0.00 0.77 0.00 0.00 66.41 64.17 1vao h THR 557 Cb 0.63 2.67 -0.02 0.00 -1.74 0.00 0.00 68.15 69.69 1vao h THR 557 CO 0.04 0.77 -1.75 -0.50 0.37 0.00 0.00 175.52 174.45 1vao h TRP 558 N 0.04 0.41 -2.75 3.16 4.06 0.15 -3.49 115.95 117.53 1vao h TRP 558 Ca -0.24 -0.30 -0.40 0.00 2.06 0.00 0.00 58.89 60.01 1vao h TRP 558 Cb 1.98 -0.02 0.21 0.00 -1.00 0.00 0.00 29.16 30.34 1vao h TRP 558 CO 0.04 1.69 -0.34 1.63 -3.56 0.00 0.00 178.44 177.90 1vao n LYS 559 N -3.74 -2.94 0.00 0.49 5.02 -0.57 -5.05 118.16 111.36 1vao n LYS 559 Ca -0.30 -0.85 0.00 0.00 -2.02 0.00 0.00 58.31 55.14 1vao n LYS 559 Cb 0.96 -1.92 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 1vao n LYS 559 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16