#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aqi s GLU 22 N 0.00 4.39 -0.36 7.34 0.41 -1.26 -5.04 118.70 124.18 1aqi s GLU 22 Ca 0.00 1.07 -0.20 0.00 -0.41 0.00 0.00 54.97 55.43 1aqi s GLU 22 Cb 0.00 -2.79 0.00 0.00 -1.78 0.00 0.00 34.13 29.56 1aqi s GLU 22 CO 0.00 0.31 0.62 0.99 -0.49 0.00 0.00 175.26 176.69 1aqi s THR 23 N -1.61 4.90 0.69 3.63 2.01 -1.26 -4.70 115.64 119.30 1aqi s THR 23 Ca 0.47 0.51 -0.16 0.00 0.31 0.00 0.00 61.69 62.82 1aqi s THR 23 Cb -0.17 -4.07 0.02 0.00 0.01 0.00 0.00 72.50 68.29 1aqi s THR 23 CO 0.22 -0.32 1.23 -2.84 -0.69 0.00 0.00 174.62 172.21 1aqi s PRO 24 N 2.67 2.36 0.19 4.92 0.02 -1.26 -4.85 135.00 139.05 1aqi s PRO 24 Ca 0.23 1.85 -0.12 0.00 0.02 0.00 0.00 61.00 62.97 1aqi s PRO 24 Cb -0.15 -1.85 0.14 0.00 0.02 0.00 0.00 34.50 32.66 1aqi s PRO 24 CO 0.15 -1.69 1.81 -1.00 -0.33 0.00 0.00 177.00 175.94 1aqi h PRO 25 N 0.08 0.62 -0.00 5.54 0.13 -1.99 -2.22 132.00 134.16 1aqi h PRO 25 Ca -0.49 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 64.56 1aqi h PRO 25 Cb 1.31 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1aqi h PRO 25 CO 0.51 0.41 -0.22 1.05 -0.23 0.00 0.00 178.00 179.52 1aqi h GLU 26 N 0.64 0.00 -0.22 0.86 9.09 -1.96 0.28 114.58 123.27 1aqi h GLU 26 Ca 0.23 -0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.53 1aqi h GLU 26 Cb 0.06 -0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.16 1aqi h GLU 26 CO -0.12 0.22 -0.31 0.28 0.05 0.00 0.00 179.01 179.13 1aqi h VAL 27 N 0.00 1.32 -0.86 -1.06 2.07 -1.82 -1.29 116.25 114.61 1aqi h VAL 27 Ca -0.00 -1.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.00 1aqi h VAL 27 Cb 0.39 1.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 1aqi h VAL 27 CO 0.03 0.47 0.53 0.58 0.02 0.00 0.00 177.57 179.20 1aqi h VAL 28 N 0.29 1.23 -0.62 2.57 2.07 -0.82 -1.41 116.25 119.57 1aqi h VAL 28 Ca 0.02 -0.49 0.01 0.00 0.82 0.00 0.00 66.70 67.06 1aqi h VAL 28 Cb 0.89 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1aqi h VAL 28 CO 0.07 0.24 0.41 0.44 0.02 0.00 0.00 177.57 178.75 1aqi h ASP 29 N 1.17 0.70 -0.61 0.57 3.32 -0.78 -1.57 116.42 119.23 1aqi h ASP 29 Ca 0.31 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.34 1aqi h ASP 29 Cb -0.07 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.28 1aqi h ASP 29 CO -0.06 0.51 0.37 0.15 -1.72 0.00 0.00 179.24 178.49 1aqi h PHE 30 N 0.83 0.79 -0.31 4.55 3.57 -0.49 -2.66 116.94 123.23 1aqi h PHE 30 Ca 0.23 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.61 1aqi h PHE 30 Cb -0.09 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.38 1aqi h PHE 30 CO -0.03 0.54 -0.31 0.52 -2.23 0.00 0.00 178.31 176.79 1aqi h MET 31 N 0.82 0.67 -0.12 1.11 2.86 -0.96 -3.00 114.93 116.30 1aqi h MET 31 Ca 0.22 -0.30 -0.07 0.00 -2.06 0.00 0.00 59.70 57.49 1aqi h MET 31 Cb -0.03 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1aqi h MET 31 CO -0.04 0.89 -0.22 0.28 1.06 0.00 0.00 176.91 178.88 1aqi h VAL 32 N 0.57 1.22 0.00 -2.22 2.07 -1.07 -2.41 116.25 114.41 1aqi h VAL 32 Ca 0.07 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1aqi h VAL 32 Cb 0.81 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1aqi h VAL 32 CO 0.07 0.31 0.00 -1.54 0.02 0.00 0.00 177.57 176.42 1aqi n SER 33 N -4.20 0.04 0.01 0.57 3.41 -1.02 -2.55 113.62 109.89 1aqi n SER 33 Ca -0.01 0.51 0.11 0.00 -0.26 0.00 0.00 58.87 59.21 1aqi n SER 33 Cb 0.33 -0.52 -0.02 0.00 -0.26 0.00 0.00 64.21 63.75 1aqi n SER 33 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1aqi n LEU 34 N -1.54 0.62 -4.78 1.04 4.77 -0.93 -4.94 117.00 111.25 1aqi n LEU 34 Ca 0.06 -0.12 -0.39 0.00 -0.03 0.00 0.00 56.01 55.53 1aqi n LEU 34 Cb 0.31 -0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 41.26 1aqi n LEU 34 CO 0.24 0.09 0.39 0.00 -1.33 0.00 0.00 177.39 176.78 1aqi s ALA 35 N -3.17 3.49 -0.03 -1.18 0.00 -1.06 -5.06 121.76 114.75 1aqi s ALA 35 Ca 0.04 0.21 -0.10 0.00 0.00 0.00 0.00 51.96 52.10 1aqi s ALA 35 Cb 0.15 -2.84 0.01 0.00 0.00 0.00 0.00 23.12 20.45 1aqi s ALA 35 CO 0.82 0.28 0.23 -1.83 0.00 0.00 0.00 175.76 175.25 1aqi s GLU 36 N -0.85 0.50 -0.12 0.00 -1.05 -1.26 -4.99 118.70 110.93 1aqi s GLU 36 Ca 0.33 -0.14 -0.29 0.00 -0.15 0.00 0.00 54.97 54.72 1aqi s GLU 36 Cb -0.21 0.22 0.08 0.00 -0.44 0.00 0.00 34.13 33.78 1aqi s GLU 36 CO 0.22 -0.12 0.72 0.00 0.95 0.00 0.00 175.26 177.04 1aqi s ALA 37 N -0.99 -1.79 0.58 -0.84 0.00 -1.26 -4.79 121.76 112.67 1aqi s ALA 37 Ca -0.11 1.55 -0.18 0.00 0.00 0.00 0.00 51.96 53.22 1aqi s ALA 37 Cb -0.05 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 1aqi s ALA 37 CO 0.02 -0.35 1.13 -1.25 0.00 0.00 0.00 175.76 175.31 1aqi s PRO 38 N -0.71 3.17 0.35 0.00 0.04 -1.26 -4.92 135.00 131.66 1aqi s PRO 38 Ca -0.07 1.57 -0.29 0.00 0.04 0.00 0.00 61.00 62.26 1aqi s PRO 38 Cb -0.02 -1.98 -0.11 0.00 0.04 0.00 0.00 34.50 32.43 1aqi s PRO 38 CO 0.06 -0.99 1.52 1.03 0.04 0.00 0.00 177.00 178.66 1aqi s ARG 39 N -3.50 4.11 0.00 4.56 0.52 -1.26 -0.54 118.95 122.84 1aqi s ARG 39 Ca 0.72 2.57 0.00 0.00 -0.52 0.00 0.00 55.73 58.50 1aqi s ARG 39 Cb -0.24 -2.99 0.00 0.00 0.52 0.00 0.00 34.95 32.25 1aqi s ARG 39 CO 0.31 -0.56 0.00 0.41 0.02 0.00 0.00 175.30 175.48 1aqi n GLY 40 N 1.00 1.85 3.79 -3.53 0.00 0.27 -5.00 105.19 103.58 1aqi n GLY 40 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1aqi n GLY 40 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aqi s GLY 41 N -1.93 2.40 -0.06 -0.02 0.00 0.30 -4.43 107.32 103.59 1aqi s GLY 41 Ca 0.00 0.59 -0.26 0.00 0.00 0.00 0.00 44.72 45.05 1aqi s GLY 41 CO 0.00 0.92 0.83 0.50 0.00 0.00 0.00 173.10 175.35 1aqi s ARG 42 N -3.54 4.46 -0.13 2.90 0.52 -1.26 -1.83 118.95 120.06 1aqi s ARG 42 Ca 0.67 1.11 0.01 0.00 -0.52 0.00 0.00 55.73 57.00 1aqi s ARG 42 Cb -0.18 -3.48 -0.01 0.00 0.52 0.00 0.00 34.95 31.80 1aqi s ARG 42 CO 0.28 -0.06 -0.15 0.08 0.02 0.00 0.00 175.30 175.47 1aqi s VAL 43 N 1.16 2.80 0.03 3.52 1.01 0.73 -2.27 120.40 127.38 1aqi s VAL 43 Ca 0.43 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.73 1aqi s VAL 43 Cb -0.19 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 1aqi s VAL 43 CO 0.21 0.52 -0.17 -0.22 0.00 0.00 0.00 175.10 175.44 1aqi s LEU 44 N 0.50 2.15 -0.26 3.92 1.98 -0.70 -1.35 118.68 124.92 1aqi s LEU 44 Ca -0.10 -0.46 0.00 0.00 -2.89 0.00 0.00 54.13 50.68 1aqi s LEU 44 Cb -0.16 -0.80 0.08 0.00 0.66 0.00 0.00 46.19 45.97 1aqi s LEU 44 CO 0.04 0.11 0.01 -0.70 -1.89 0.00 0.00 176.35 173.93 1aqi s GLU 45 N -1.05 1.21 0.27 1.98 2.12 -0.87 -1.93 118.70 120.43 1aqi s GLU 45 Ca 0.05 -1.04 -0.29 0.00 0.36 0.00 0.00 54.97 54.05 1aqi s GLU 45 Cb -0.08 -2.44 -0.09 0.00 0.26 0.00 0.00 34.13 31.78 1aqi s GLU 45 CO 0.01 -0.75 1.16 -2.14 -0.54 0.00 0.00 175.26 173.00 1aqi s PRO 46 N 1.46 4.56 -1.23 4.30 0.02 -1.26 -2.45 135.00 140.40 1aqi s PRO 46 Ca 0.01 1.90 -0.01 0.00 0.02 0.00 0.00 61.00 62.92 1aqi s PRO 46 Cb -0.18 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.17 1aqi s PRO 46 CO -0.12 0.08 1.01 0.00 -0.33 0.00 0.00 177.00 177.64 1aqi n ALA 47 N 1.33 -1.91 0.03 -1.55 0.00 0.92 -4.64 120.51 114.68 1aqi n ALA 47 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1aqi n ALA 47 Cb 0.44 -2.85 0.18 0.00 0.00 0.00 0.00 19.45 17.23 1aqi n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aqi n ALA 49 N -2.49 0.00 0.42 0.00 0.00 -1.26 -0.07 120.51 117.11 1aqi n ALA 49 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.51 1aqi n ALA 49 Cb 0.45 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.12 1aqi n ALA 49 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1aqi n HIS 50 N 6.72 0.68 -2.80 0.00 -0.00 -1.25 -1.90 115.22 116.66 1aqi n HIS 50 Ca 0.00 -0.33 -0.11 0.00 -0.00 0.00 0.00 57.72 57.28 1aqi n HIS 50 Cb 0.00 -0.01 0.05 0.00 -0.00 0.00 0.00 29.99 30.03 1aqi n HIS 50 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1aqi n GLY 51 N 1.25 -0.26 0.34 -1.39 0.00 0.90 -4.59 105.19 101.44 1aqi n GLY 51 Ca 0.16 0.09 0.03 0.00 0.00 0.00 0.00 46.02 46.30 1aqi n GLY 51 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1aqi h PRO 52 N -0.99 0.79 0.02 1.61 0.11 -1.94 -2.22 132.00 129.38 1aqi h PRO 52 Ca -0.39 -0.05 -0.24 0.00 0.11 0.00 0.00 66.00 65.42 1aqi h PRO 52 Cb 1.21 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 1aqi h PRO 52 CO 0.31 0.52 -1.25 0.74 -0.21 0.00 0.00 178.00 178.12 1aqi h PHE 53 N 0.82 0.08 -0.39 0.65 -1.00 -1.93 -2.49 116.94 112.69 1aqi h PHE 53 Ca 0.25 -0.06 -0.03 0.00 2.81 0.00 0.00 57.97 60.93 1aqi h PHE 53 Cb -0.01 -0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.53 1aqi h PHE 53 CO -0.00 1.06 0.12 -0.07 -1.61 0.00 0.00 178.31 177.82 1aqi h LEU 54 N 0.01 0.56 0.05 1.54 4.07 -1.90 -1.53 115.31 118.12 1aqi h LEU 54 Ca -0.11 -0.20 -0.00 0.00 0.08 0.00 0.00 57.88 57.65 1aqi h LEU 54 Cb 1.87 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 43.46 1aqi h LEU 54 CO 0.13 0.61 -0.03 0.03 -1.08 0.00 0.00 178.44 178.10 1aqi h ARG 55 N 0.48 -0.07 -0.88 1.13 3.08 -1.48 -2.34 114.38 114.30 1aqi h ARG 55 Ca 0.13 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 1aqi h ARG 55 Cb 0.25 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.27 1aqi h ARG 55 CO -0.00 0.18 0.47 0.00 -1.07 0.00 0.00 179.97 179.55 1aqi h ALA 56 N 0.61 1.16 -0.32 0.04 0.00 -1.45 -2.58 119.26 116.72 1aqi h ALA 56 Ca -0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1aqi h ALA 56 Cb 0.28 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1aqi h ALA 56 CO 0.01 0.66 0.10 0.35 0.00 0.00 0.00 179.25 180.37 1aqi h PHE 57 N 1.24 0.52 -0.99 0.00 3.57 -1.24 -2.39 116.94 117.65 1aqi h PHE 57 Ca 0.31 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.77 1aqi h PHE 57 Cb 0.05 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.59 1aqi h PHE 57 CO 0.01 0.52 0.65 -0.09 -2.23 0.00 0.00 178.31 177.18 1aqi h ARG 58 N 0.36 1.27 0.00 1.11 2.43 -1.25 0.62 114.38 118.93 1aqi h ARG 58 Ca 0.10 -0.08 -0.10 0.00 -0.81 0.00 0.00 59.98 59.10 1aqi h ARG 58 Cb 0.25 -0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1aqi h ARG 58 CO -0.00 0.84 -0.48 0.93 -1.51 0.00 0.00 179.97 179.75 1aqi h GLU 59 N 1.31 0.00 0.01 0.20 5.08 -1.33 0.35 114.58 120.20 1aqi h GLU 59 Ca 0.37 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.38 1aqi h GLU 59 Cb -0.10 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.09 1aqi h GLU 59 CO -0.09 0.48 -2.17 0.00 -1.00 0.00 0.00 179.01 176.22 1aqi n ALA 60 N -2.45 1.45 0.47 3.43 0.00 -0.91 -4.64 120.51 117.87 1aqi n ALA 60 Ca -0.02 -1.10 0.05 0.00 0.00 0.00 0.00 53.44 52.37 1aqi n ALA 60 Cb 0.50 -0.40 -0.05 0.00 0.00 0.00 0.00 19.45 19.50 1aqi n ALA 60 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1aqi n HIS 61 N -2.94 0.00 0.00 0.00 8.25 0.21 -5.09 115.22 115.65 1aqi n HIS 61 Ca -0.30 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.16 1aqi n HIS 61 Cb 1.10 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.21 1aqi n HIS 61 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1aqi n GLY 62 N 1.23 1.19 0.16 -1.41 0.00 0.11 -4.81 105.19 101.66 1aqi n GLY 62 Ca 0.02 -2.11 0.12 0.00 0.00 0.00 0.00 46.02 44.05 1aqi n GLY 62 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1aqi n THR 63 N 0.48 0.00 -0.80 2.61 -2.24 -1.26 -4.44 114.28 108.63 1aqi n THR 63 Ca 0.00 -0.08 -0.10 0.00 -2.27 0.00 0.00 64.05 61.59 1aqi n THR 63 Cb 0.00 0.53 -0.13 0.00 -2.10 0.00 0.00 70.33 68.64 1aqi n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aqi n GLY 64 N 1.43 2.62 3.39 3.38 0.00 -1.26 -4.83 105.19 109.92 1aqi n GLY 64 Ca 0.08 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 1aqi n GLY 64 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aqi s TYR 65 N 1.50 0.58 -0.29 1.61 1.51 -1.26 0.98 117.35 121.97 1aqi s TYR 65 Ca 0.53 -0.91 -0.11 0.00 -1.01 0.00 0.00 57.07 55.57 1aqi s TYR 65 Cb 0.25 -0.10 -0.04 0.00 -0.11 0.00 0.00 41.96 41.95 1aqi s TYR 65 CO -0.00 -0.79 0.19 0.50 -1.11 0.00 0.00 175.55 174.34 1aqi s ARG 66 N -4.03 3.84 -0.21 -0.62 3.52 -0.76 -4.94 118.95 115.75 1aqi s ARG 66 Ca 0.24 -0.39 -0.09 0.00 -0.13 0.00 0.00 55.73 55.36 1aqi s ARG 66 Cb 0.03 -3.67 -0.04 0.00 -1.56 0.00 0.00 34.95 29.71 1aqi s ARG 66 CO 0.06 -0.23 0.10 -0.06 -0.81 0.00 0.00 175.30 174.36 1aqi s PHE 67 N 1.74 3.29 0.05 5.12 0.08 -1.26 -0.19 117.98 126.81 1aqi s PHE 67 Ca 0.07 0.14 0.05 0.00 0.12 0.00 0.00 56.93 57.30 1aqi s PHE 67 Cb -0.16 -2.16 -0.02 0.00 -0.57 0.00 0.00 43.02 40.11 1aqi s PHE 67 CO 0.10 0.13 -0.13 0.08 -0.10 0.00 0.00 175.22 175.30 1aqi s VAL 68 N 0.63 1.05 -0.01 -0.44 1.01 -0.46 -0.64 120.40 121.54 1aqi s VAL 68 Ca 0.06 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1aqi s VAL 68 Cb -0.13 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.29 1aqi s VAL 68 CO 0.01 -0.08 0.01 -0.83 0.00 0.00 0.00 175.10 174.21 1aqi s GLY 69 N -1.29 0.10 -0.21 4.51 0.00 -0.01 -2.06 107.32 108.37 1aqi s GLY 69 Ca -0.00 0.12 -0.02 0.00 0.00 0.00 0.00 44.72 44.82 1aqi s GLY 69 CO 0.01 0.34 -0.09 0.14 0.00 0.00 0.00 173.10 173.51 1aqi s VAL 70 N 0.56 3.02 -0.02 1.40 1.01 -1.03 0.43 120.40 125.78 1aqi s VAL 70 Ca -0.05 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.34 1aqi s VAL 70 Cb -0.07 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.96 1aqi s VAL 70 CO -0.01 0.46 -0.07 -0.70 0.00 0.00 0.00 175.10 174.77 1aqi s GLU 71 N 1.39 0.75 0.19 2.72 2.56 0.90 -0.05 118.70 127.16 1aqi s GLU 71 Ca 0.05 -0.24 0.20 0.00 0.00 0.00 0.00 54.97 54.98 1aqi s GLU 71 Cb -0.14 -0.73 -0.01 0.00 2.00 0.00 0.00 34.13 35.26 1aqi s GLU 71 CO -0.06 0.10 1.05 0.97 -0.56 0.00 0.00 175.26 176.76 1aqi h ILE 72 N 5.34 0.21 -3.51 -3.70 2.10 -1.81 0.45 117.51 116.60 1aqi h ILE 72 Ca -0.33 -1.38 -0.72 0.00 1.08 0.00 0.00 64.86 63.52 1aqi h ILE 72 Cb 1.17 1.77 -0.25 0.00 -1.09 0.00 0.00 36.82 38.42 1aqi h ILE 72 CO 0.49 0.12 -0.47 -0.62 -1.08 0.00 0.00 178.15 176.59 1aqi s ASP 73 N -5.64 5.80 0.60 2.19 2.15 -1.26 -4.72 116.67 115.80 1aqi s ASP 73 Ca -0.00 -1.16 0.30 0.00 0.43 0.00 0.00 52.55 52.12 1aqi s ASP 73 Cb 0.09 -2.05 1.76 0.00 -0.30 0.00 0.00 42.92 42.42 1aqi s ASP 73 CO 0.78 -0.47 2.15 1.55 -0.17 0.00 0.00 175.17 179.02 1aqi h PRO 74 N 8.49 0.00 0.00 4.34 0.13 -1.95 0.22 132.00 143.23 1aqi h PRO 74 Ca -0.25 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.85 1aqi h PRO 74 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1aqi h PRO 74 CO 0.72 0.00 -0.13 -0.22 -0.23 0.00 0.00 178.00 178.14 1aqi h LYS 75 N 0.00 0.00 0.00 0.86 3.64 -2.00 -3.25 116.57 115.83 1aqi h LYS 75 Ca 0.05 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.19 1aqi h LYS 75 Cb 0.34 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.12 1aqi h LYS 75 CO -0.00 0.13 -1.76 0.00 -2.27 0.00 0.00 179.45 175.55 1aqi n ALA 76 N -2.14 1.74 -1.80 5.00 0.00 0.70 -4.87 120.51 119.14 1aqi n ALA 76 Ca 0.02 -0.79 -0.41 0.00 0.00 0.00 0.00 53.44 52.26 1aqi n ALA 76 Cb 0.49 -0.74 -0.03 0.00 0.00 0.00 0.00 19.45 19.17 1aqi n ALA 76 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1aqi s LEU 77 N -5.75 3.42 -0.41 0.00 2.96 -0.87 -3.88 118.68 114.16 1aqi s LEU 77 Ca -0.05 1.22 0.06 0.00 -0.22 0.00 0.00 54.13 55.14 1aqi s LEU 77 Cb 0.08 -3.10 0.20 0.00 0.50 0.00 0.00 46.19 43.88 1aqi s LEU 77 CO 0.83 -2.17 0.42 -0.67 -1.32 0.00 0.00 176.35 173.44 1aqi n ASP 78 N 12.41 -0.16 -4.79 3.68 2.03 -0.80 -4.99 116.55 123.94 1aqi n ASP 78 Ca 0.27 -2.52 -0.32 0.00 0.52 0.00 0.00 54.79 52.74 1aqi n ASP 78 Cb 0.49 -0.59 -0.07 0.00 -0.72 0.00 0.00 41.12 40.23 1aqi n ASP 78 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1aqi s LEU 79 N -0.50 3.92 0.83 -2.67 1.43 -1.26 -4.19 118.68 116.24 1aqi s LEU 79 Ca 0.34 0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 53.46 1aqi s LEU 79 Cb 0.10 -2.36 0.09 0.00 0.03 0.00 0.00 46.19 44.04 1aqi s LEU 79 CO -0.16 0.25 1.10 -2.16 0.23 0.00 0.00 176.35 175.60 1aqi s PRO 80 N -1.91 1.80 0.31 1.29 0.04 -1.26 -4.91 135.00 130.36 1aqi s PRO 80 Ca 0.25 1.12 0.08 0.00 0.04 0.00 0.00 61.00 62.48 1aqi s PRO 80 Cb -0.12 -1.85 0.86 0.00 0.04 0.00 0.00 34.50 33.43 1aqi s PRO 80 CO 0.16 -1.95 1.68 -1.35 0.04 0.00 0.00 177.00 175.58 1aqi h PRO 81 N -1.35 0.34 0.00 0.56 0.11 -2.04 -1.39 132.00 128.23 1aqi h PRO 81 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1aqi h PRO 81 Cb 1.25 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1aqi h PRO 81 CO 0.51 0.22 0.00 -2.67 -0.21 0.00 0.00 178.00 175.85 1aqi n TRP 82 N -5.08 0.19 -4.10 0.65 4.27 -1.26 -4.75 117.44 107.37 1aqi n TRP 82 Ca 0.26 0.08 -0.32 0.00 -3.89 0.00 0.00 57.50 53.63 1aqi n TRP 82 Cb 0.78 -0.63 -0.07 0.00 -1.36 0.00 0.00 31.31 30.03 1aqi n TRP 82 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1aqi s ALA 83 N -3.09 3.54 -0.23 -1.67 0.00 -0.52 -4.57 121.76 115.22 1aqi s ALA 83 Ca 0.05 -0.95 -0.13 0.00 0.00 0.00 0.00 51.96 50.94 1aqi s ALA 83 Cb 0.08 -1.48 -0.05 0.00 0.00 0.00 0.00 23.12 21.67 1aqi s ALA 83 CO 0.26 0.72 0.26 -2.00 0.00 0.00 0.00 175.76 174.99 1aqi s GLU 84 N -2.04 4.10 -0.14 0.00 2.12 0.19 -4.82 118.70 118.10 1aqi s GLU 84 Ca 0.26 -0.08 -0.07 0.00 0.36 0.00 0.00 54.97 55.44 1aqi s GLU 84 Cb -0.12 -3.55 -0.04 0.00 0.26 0.00 0.00 34.13 30.68 1aqi s GLU 84 CO 0.17 -0.01 0.09 0.20 -0.54 0.00 0.00 175.26 175.18 1aqi s GLY 85 N 1.11 2.01 -0.14 -1.50 0.00 -1.26 -0.83 107.32 106.72 1aqi s GLY 85 Ca 0.12 -0.71 0.02 0.00 0.00 0.00 0.00 44.72 44.15 1aqi s GLY 85 CO 0.06 -0.21 -0.20 -0.42 0.00 0.00 0.00 173.10 172.34 1aqi s ILE 86 N -0.37 1.89 -0.59 0.90 -1.09 0.17 -4.94 121.20 117.17 1aqi s ILE 86 Ca 0.10 -0.87 -0.20 0.00 -2.23 0.00 0.00 60.65 57.45 1aqi s ILE 86 Cb -0.12 -1.69 0.08 0.00 -1.58 0.00 0.00 42.46 39.15 1aqi s ILE 86 CO 0.02 0.52 0.76 -0.76 -1.23 0.00 0.00 174.94 174.25 1aqi s LEU 87 N 0.94 4.99 0.06 2.97 1.43 -1.25 -0.07 118.68 127.76 1aqi s LEU 87 Ca -0.05 -1.16 -0.27 0.00 -1.03 0.00 0.00 54.13 51.61 1aqi s LEU 87 Cb -0.15 -2.39 0.09 0.00 0.03 0.00 0.00 46.19 43.77 1aqi s LEU 87 CO -0.03 -1.16 1.02 0.00 0.23 0.00 0.00 176.35 176.41 1aqi s ALA 88 N 3.08 -1.83 -0.68 4.21 0.00 0.15 -4.93 121.76 121.76 1aqi s ALA 88 Ca 0.16 0.53 -0.24 0.00 0.00 0.00 0.00 51.96 52.41 1aqi s ALA 88 Cb -0.21 0.49 0.06 0.00 0.00 0.00 0.00 23.12 23.46 1aqi s ALA 88 CO 0.09 -0.93 1.04 0.34 0.00 0.00 0.00 175.76 176.29 1aqi s ASP 89 N -2.79 6.17 0.32 0.00 -1.08 -1.26 -2.99 116.67 115.03 1aqi s ASP 89 Ca 0.11 -0.86 0.07 0.00 -0.52 0.00 0.00 52.55 51.34 1aqi s ASP 89 Cb -0.00 -2.45 0.88 0.00 -1.46 0.00 0.00 42.92 39.89 1aqi s ASP 89 CO -0.02 -1.53 1.61 0.15 0.52 0.00 0.00 175.17 175.90 1aqi h PHE 90 N 9.67 0.34 0.00 -5.34 3.57 -1.94 0.31 116.94 123.55 1aqi h PHE 90 Ca -0.29 0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.27 1aqi h PHE 90 Cb 1.07 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.81 1aqi h PHE 90 CO 1.00 -0.34 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.66 1aqi h LEU 91 N 0.10 0.00 -2.97 0.59 3.38 -1.96 -1.83 115.31 112.62 1aqi h LEU 91 Ca 0.64 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.61 1aqi h LEU 91 Cb 1.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.17 1aqi h LEU 91 CO -0.77 0.01 0.00 0.18 0.09 0.00 0.00 178.44 177.95 1aqi n LEU 92 N -3.64 2.44 -4.72 1.67 4.77 1.00 -5.01 117.00 113.50 1aqi n LEU 92 Ca -0.03 -2.11 -0.40 0.00 -0.03 0.00 0.00 56.01 53.45 1aqi n LEU 92 Cb 0.10 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 1aqi n LEU 92 CO 0.26 0.60 0.45 0.86 -1.33 0.00 0.00 177.39 178.23 1aqi s TRP 93 N -1.19 3.61 -0.38 -1.77 -0.00 -0.58 -4.96 118.94 113.67 1aqi s TRP 93 Ca 0.12 1.34 0.02 0.00 -0.00 0.00 0.00 56.10 57.59 1aqi s TRP 93 Cb 0.07 -2.85 0.11 0.00 -0.00 0.00 0.00 33.47 30.81 1aqi s TRP 93 CO 0.06 0.10 0.14 -1.21 -0.00 0.00 0.00 176.95 176.04 1aqi s GLU 94 N 0.70 1.33 0.44 5.86 0.41 -1.26 -5.00 118.70 121.18 1aqi s GLU 94 Ca 0.40 -1.83 0.24 0.00 -0.41 0.00 0.00 54.97 53.37 1aqi s GLU 94 Cb -0.19 -2.74 0.86 0.00 -1.78 0.00 0.00 34.13 30.28 1aqi s GLU 94 CO 0.20 -1.02 1.80 -1.00 -0.49 0.00 0.00 175.26 174.74 1aqi h PRO 95 N 7.37 0.00 -0.12 0.39 0.13 -1.99 -3.47 132.00 134.32 1aqi h PRO 95 Ca -0.07 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.01 1aqi h PRO 95 Cb 0.98 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.09 1aqi h PRO 95 CO 0.53 0.22 -0.05 0.41 -0.23 0.00 0.00 178.00 178.88 1aqi n GLY 96 N 0.28 0.49 3.11 1.56 0.00 -1.26 -4.97 105.19 104.41 1aqi n GLY 96 Ca 0.01 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 1aqi n GLY 96 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1aqi s GLU 97 N -1.41 0.67 0.12 1.61 -1.05 -1.26 -5.17 118.70 112.21 1aqi s GLU 97 Ca 0.00 -1.01 0.08 0.00 -0.15 0.00 0.00 54.97 53.88 1aqi s GLU 97 Cb 0.00 -0.27 -0.04 0.00 -0.44 0.00 0.00 34.13 33.38 1aqi s GLU 97 CO 0.00 0.02 -0.12 0.00 0.95 0.00 0.00 175.26 176.11 1aqi s ALA 98 N -2.35 2.87 0.27 -0.84 0.00 -1.26 -4.96 121.76 115.49 1aqi s ALA 98 Ca -0.00 -1.31 0.08 0.00 0.00 0.00 0.00 51.96 50.73 1aqi s ALA 98 Cb -0.03 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 1aqi s ALA 98 CO -0.02 0.60 0.10 -0.06 0.00 0.00 0.00 175.76 176.38 1aqi s PHE 99 N -1.27 2.85 -0.10 0.00 0.40 0.56 -4.78 117.98 115.65 1aqi s PHE 99 Ca 0.21 -0.21 0.02 0.00 -0.60 0.00 0.00 56.93 56.35 1aqi s PHE 99 Cb -0.11 -1.36 -0.24 0.00 0.51 0.00 0.00 43.02 41.82 1aqi s PHE 99 CO 0.13 0.53 0.44 -0.25 0.70 0.00 0.00 175.22 176.77 1aqi n ASP 100 N -1.05 1.54 -3.79 1.36 8.00 -0.96 -1.13 116.55 120.51 1aqi n ASP 100 Ca -0.06 0.26 -0.14 0.00 0.71 0.00 0.00 54.79 55.57 1aqi n ASP 100 Cb 0.59 -0.45 -0.15 0.00 -0.02 0.00 0.00 41.12 41.10 1aqi n ASP 100 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1aqi s LEU 101 N -6.57 1.22 -0.08 0.64 2.96 -1.06 -1.29 118.68 114.50 1aqi s LEU 101 Ca -0.15 0.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.91 1aqi s LEU 101 Cb 0.07 0.16 0.02 0.00 0.50 0.00 0.00 46.19 46.94 1aqi s LEU 101 CO 0.79 -0.10 -0.08 -0.63 -1.32 0.00 0.00 176.35 175.01 1aqi s ILE 102 N 0.72 0.89 0.03 6.68 1.01 -0.57 -1.72 121.20 128.24 1aqi s ILE 102 Ca -0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 60.65 60.30 1aqi s ILE 102 Cb -0.08 -0.88 -0.02 0.00 0.01 0.00 0.00 42.46 41.48 1aqi s ILE 102 CO -0.03 0.32 -0.00 -1.48 0.00 0.00 0.00 174.94 173.75 1aqi s LEU 103 N 1.18 2.21 0.00 2.97 0.05 -0.81 -0.82 118.68 123.45 1aqi s LEU 103 Ca -0.06 -0.62 0.00 0.00 0.05 0.00 0.00 54.13 53.51 1aqi s LEU 103 Cb -0.14 0.23 0.00 0.00 -2.05 0.00 0.00 46.19 44.22 1aqi s LEU 103 CO -0.02 -0.41 0.00 0.61 -0.55 0.00 0.00 176.35 175.98 1aqi n GLY 104 N 1.10 -2.45 2.98 -3.48 0.00 -0.91 -4.07 105.19 98.36 1aqi n GLY 104 Ca -0.21 -1.29 -0.31 0.00 0.00 0.00 0.00 46.02 44.22 1aqi n GLY 104 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1aqi s ASN 105 N -1.15 4.45 0.54 1.61 3.04 -1.26 -2.90 114.94 119.28 1aqi s ASN 105 Ca 0.00 -1.76 -0.15 0.00 0.04 0.00 0.00 52.86 50.99 1aqi s ASN 105 Cb 0.00 -1.44 -0.07 0.00 -1.54 0.00 0.00 41.25 38.20 1aqi s ASN 105 CO 0.00 -0.32 1.00 -2.16 -3.04 0.00 0.00 177.10 172.58 1aqi s PRO 106 N 1.12 3.86 0.37 0.43 0.04 -1.26 -4.93 135.00 134.62 1aqi s PRO 106 Ca 0.03 0.91 -0.27 0.00 0.04 0.00 0.00 61.00 61.71 1aqi s PRO 106 Cb -0.19 -2.12 -0.09 0.00 0.04 0.00 0.00 34.50 32.14 1aqi s PRO 106 CO -0.09 -0.35 1.28 -1.25 0.04 0.00 0.00 177.00 176.63 1aqi s PRO 107 N -4.34 4.17 0.05 0.56 0.04 -1.26 -4.92 135.00 129.30 1aqi s PRO 107 Ca 0.58 2.14 -0.00 0.00 0.04 0.00 0.00 61.00 63.75 1aqi s PRO 107 Cb -0.10 -2.90 -0.04 0.00 0.04 0.00 0.00 34.50 31.49 1aqi s PRO 107 CO 0.37 -0.31 0.21 0.71 0.04 0.00 0.00 177.00 178.01 1aqi s TYR 108 N -1.22 3.52 0.00 0.56 2.02 -1.26 -3.15 117.35 117.82 1aqi s TYR 108 Ca 0.53 0.26 0.00 0.00 -0.37 0.00 0.00 57.07 57.49 1aqi s TYR 108 Cb -0.38 -1.77 0.00 0.00 -0.40 0.00 0.00 41.96 39.42 1aqi s TYR 108 CO 0.49 0.60 0.00 0.41 -1.57 0.00 0.00 175.55 175.48 1aqi n GLY 109 N 0.36 3.08 3.95 0.71 0.00 -1.26 -4.90 105.19 107.12 1aqi n GLY 109 Ca -0.06 -1.93 -0.20 0.00 0.00 0.00 0.00 46.02 43.83 1aqi n GLY 109 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aqi s ILE 110 N -2.19 2.59 0.00 -0.61 1.01 -1.26 0.46 121.20 121.19 1aqi s ILE 110 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 60.65 59.47 1aqi s ILE 110 Cb 0.00 -2.77 0.00 0.00 0.01 0.00 0.00 42.46 39.70 1aqi s ILE 110 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 174.94 176.27 1aqi n VAL 111 N -1.79 0.00 -3.23 2.92 0.24 -1.26 -4.95 118.33 110.26 1aqi n VAL 111 Ca 0.07 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.41 1aqi n VAL 111 Cb 0.61 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.96 1aqi n VAL 111 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1aqi s LYS 123 N 3.29 0.32 0.00 7.34 -2.85 -1.26 -5.10 119.74 121.49 1aqi s LYS 123 Ca 0.00 0.63 0.00 0.00 -1.00 0.00 0.00 55.97 55.60 1aqi s LYS 123 Cb 0.00 0.36 0.00 0.00 -2.06 0.00 0.00 37.83 36.13 1aqi s LYS 123 CO 0.00 -0.28 0.00 0.00 0.10 0.00 0.00 175.35 175.17 1aqi n ALA 124 N 5.34 0.00 -0.08 0.59 0.00 -1.26 -4.26 120.51 120.84 1aqi n ALA 124 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.26 1aqi n ALA 124 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1aqi n ALA 124 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1aqi h VAL 125 N 0.00 1.28 0.03 0.00 -1.51 -2.04 0.58 116.25 114.58 1aqi h VAL 125 Ca 0.00 -1.64 -0.00 0.00 -1.23 0.00 0.00 66.70 63.83 1aqi h VAL 125 Cb 0.00 1.52 0.00 0.00 -2.13 0.00 0.00 31.29 30.68 1aqi h VAL 125 CO 0.00 0.54 -0.01 0.50 -1.23 0.00 0.00 177.57 177.36 1aqi h LYS 126 N 0.65 -0.03 -0.82 5.19 3.64 -2.00 -1.96 116.57 121.25 1aqi h LYS 126 Ca 0.04 0.00 0.19 0.00 -1.27 0.00 0.00 60.65 59.61 1aqi h LYS 126 Cb 1.03 0.01 -0.15 0.00 -0.41 0.00 0.00 32.23 32.71 1aqi h LYS 126 CO 0.10 -0.02 -0.12 -0.25 -2.27 0.00 0.00 179.45 176.88 1aqi n ASP 127 N -2.14 -0.22 -0.05 4.20 8.00 -1.23 0.17 116.55 125.28 1aqi n ASP 127 Ca -0.00 1.40 -0.08 0.00 0.71 0.00 0.00 54.79 56.82 1aqi n ASP 127 Cb 0.01 -0.46 -0.02 0.00 -0.02 0.00 0.00 41.12 40.64 1aqi n ASP 127 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1aqi h LEU 128 N 0.00 -0.50 -0.46 0.64 7.12 0.16 -1.98 115.31 120.29 1aqi h LEU 128 Ca 0.43 0.11 0.08 0.00 0.13 0.00 0.00 57.88 58.63 1aqi h LEU 128 Cb 0.75 0.26 -0.07 0.00 -0.53 0.00 0.00 40.66 41.07 1aqi h LEU 128 CO -0.82 -0.19 0.07 1.88 -0.13 0.00 0.00 178.44 179.25 1aqi h TYR 129 N -0.14 0.10 -0.94 1.25 0.05 0.25 0.41 116.97 117.95 1aqi h TYR 129 Ca 0.13 0.03 0.13 0.00 0.05 0.00 0.00 58.73 59.07 1aqi h TYR 129 Cb 0.34 0.02 -0.09 0.00 1.01 0.00 0.00 36.73 38.01 1aqi h TYR 129 CO -0.32 -0.03 0.56 0.87 -1.05 0.00 0.00 178.16 178.19 1aqi h LYS 130 N 0.19 0.82 -0.30 4.88 1.57 -0.36 0.59 116.57 123.96 1aqi h LYS 130 Ca 0.23 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.90 1aqi h LYS 130 Cb 0.31 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1aqi h LYS 130 CO -0.32 0.54 -0.05 0.87 -0.57 0.00 0.00 179.45 179.92 1aqi h LYS 131 N 0.84 0.56 -0.27 3.15 1.57 -0.62 -3.24 116.57 118.57 1aqi h LYS 131 Ca 0.48 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.99 1aqi h LYS 131 Cb 0.57 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 1aqi h LYS 131 CO -0.30 0.74 -0.15 0.00 -0.57 0.00 0.00 179.45 179.16 1aqi h ALA 132 N 0.81 1.24 -3.04 3.86 0.00 0.13 -3.43 119.26 118.82 1aqi h ALA 132 Ca 0.08 -0.28 -0.66 0.00 0.00 0.00 0.00 54.91 54.05 1aqi h ALA 132 Cb 0.51 -0.13 -0.29 0.00 0.00 0.00 0.00 17.79 17.88 1aqi h ALA 132 CO 0.02 0.50 -0.76 -0.06 0.00 0.00 0.00 179.25 178.95 1aqi s PHE 133 N -4.68 2.90 0.28 0.00 0.08 0.18 -5.00 117.98 111.74 1aqi s PHE 133 Ca -0.07 -1.08 0.16 0.00 0.12 0.00 0.00 56.93 56.06 1aqi s PHE 133 Cb 0.15 -2.04 0.70 0.00 -0.57 0.00 0.00 43.02 41.26 1aqi s PHE 133 CO 0.77 -0.58 1.77 0.66 -0.10 0.00 0.00 175.22 177.75 1aqi h SER 134 N 7.94 0.00 -0.13 1.36 4.64 -1.84 -2.79 113.55 122.73 1aqi h SER 134 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1aqi h SER 134 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1aqi h SER 134 CO 0.61 0.40 0.00 0.35 -0.87 0.00 0.00 176.83 177.32 1aqi n THR 135 N -3.78 0.16 -2.18 2.95 -2.24 -1.26 -4.87 114.28 103.06 1aqi n THR 135 Ca -0.01 -0.27 -0.43 0.00 -2.27 0.00 0.00 64.05 61.08 1aqi n THR 135 Cb 0.47 0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 68.90 1aqi n THR 135 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1aqi s TRP 136 N -1.84 2.28 0.00 4.78 -0.11 -1.06 -4.40 118.94 118.59 1aqi s TRP 136 Ca 0.31 0.58 -0.00 0.00 1.22 0.00 0.00 56.10 58.22 1aqi s TRP 136 Cb 0.16 -3.86 -0.00 0.00 -1.50 0.00 0.00 33.47 28.27 1aqi s TRP 136 CO 0.25 -2.79 0.00 0.21 -4.62 0.00 0.00 176.95 170.00 1aqi s LYS 137 N 4.24 0.03 4.92 5.86 2.20 -1.26 -5.07 119.74 130.65 1aqi s LYS 137 Ca 0.67 -0.05 0.00 0.00 -0.36 0.00 0.00 55.97 56.23 1aqi s LYS 137 Cb -0.25 0.01 0.00 0.00 -1.51 0.00 0.00 37.83 36.08 1aqi s LYS 137 CO 0.26 -0.00 0.00 0.41 -0.36 0.00 0.00 175.35 175.65 1aqi n GLY 138 N 2.96 2.49 0.23 5.54 0.00 -1.26 -2.06 105.19 113.08 1aqi n GLY 138 Ca -0.13 -0.39 -0.05 0.00 0.00 0.00 0.00 46.02 45.45 1aqi n GLY 138 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1aqi h LYS 139 N 0.00 0.48 0.00 1.61 2.10 -1.98 -3.48 116.57 115.29 1aqi h LYS 139 Ca 0.00 -0.22 0.00 0.00 -2.00 0.00 0.00 60.65 58.43 1aqi h LYS 139 Cb 0.00 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.32 1aqi h LYS 139 CO 0.00 0.76 0.00 0.98 -2.00 0.00 0.00 179.45 179.19 1aqi n TYR 140 N -4.06 -1.10 -3.63 0.07 9.36 -0.88 -4.87 117.16 112.05 1aqi n TYR 140 Ca -0.01 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.09 1aqi n TYR 140 Cb 0.47 0.21 -0.07 0.00 -0.63 0.00 0.00 39.34 39.31 1aqi n TYR 140 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1aqi s ASN 141 N -4.00 -0.66 0.37 2.98 3.84 -1.26 -4.72 114.94 111.49 1aqi s ASN 141 Ca 0.00 1.26 0.14 0.00 0.21 0.00 0.00 52.86 54.47 1aqi s ASN 141 Cb 0.00 1.27 0.99 0.00 -0.55 0.00 0.00 41.25 42.97 1aqi s ASN 141 CO 0.00 -0.21 1.79 -0.07 -2.79 0.00 0.00 177.10 175.81 1aqi h LEU 142 N 4.91 0.54 -2.25 3.21 3.38 -0.26 0.11 115.31 124.96 1aqi h LEU 142 Ca -0.29 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1aqi h LEU 142 Cb 1.17 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1aqi h LEU 142 CO 0.08 0.15 -0.05 0.10 0.09 0.00 0.00 178.44 178.81 1aqi h TYR 143 N 0.50 0.00 -0.09 1.13 -0.00 -1.78 -0.94 116.97 115.80 1aqi h TYR 143 Ca 0.57 0.00 -0.15 0.00 0.00 0.00 0.00 58.73 59.15 1aqi h TYR 143 Cb 1.27 0.00 0.01 0.00 0.00 0.00 0.00 36.73 38.01 1aqi h TYR 143 CO -0.00 0.05 -0.55 0.78 -0.00 0.00 0.00 178.16 178.44 1aqi h GLY 144 N 0.40 0.59 0.98 0.10 0.00 -1.12 -2.26 103.07 101.76 1aqi h GLY 144 Ca -0.00 -0.85 -0.04 0.00 0.00 0.00 0.00 47.33 46.43 1aqi h GLY 144 CO 0.01 0.76 0.16 0.00 0.00 0.00 0.00 176.54 177.47 1aqi h ALA 145 N 0.46 0.70 -0.85 3.60 0.00 -1.25 -1.74 119.26 120.18 1aqi h ALA 145 Ca -0.04 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1aqi h ALA 145 Cb 1.20 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1aqi h ALA 145 CO 0.11 0.37 0.56 0.74 0.00 0.00 0.00 179.25 181.03 1aqi h PHE 146 N 0.74 1.05 0.43 0.00 -1.00 -1.22 -0.62 116.94 116.32 1aqi h PHE 146 Ca 0.17 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.96 1aqi h PHE 146 Cb 0.29 -0.35 0.00 0.00 3.61 0.00 0.00 35.95 39.50 1aqi h PHE 146 CO 0.02 0.64 -0.21 -0.07 -1.61 0.00 0.00 178.31 177.08 1aqi h LEU 147 N 1.11 -0.49 -0.74 1.54 3.38 -1.00 0.03 115.31 119.14 1aqi h LEU 147 Ca 0.32 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.29 1aqi h LEU 147 Cb -0.07 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 1aqi h LEU 147 CO -0.08 -0.24 0.43 -0.08 0.09 0.00 0.00 178.44 178.57 1aqi h GLU 148 N -0.72 0.78 -0.02 1.13 4.81 -1.10 -1.15 114.58 118.32 1aqi h GLU 148 Ca -0.06 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1aqi h GLU 148 Cb 0.52 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 1aqi h GLU 148 CO 0.10 0.52 0.01 -0.22 -0.73 0.00 0.00 179.01 178.68 1aqi h LYS 149 N 0.80 0.02 -0.68 1.92 1.63 -1.07 -2.68 116.57 116.51 1aqi h LYS 149 Ca 0.32 -0.00 0.03 0.00 -0.85 0.00 0.00 60.65 60.15 1aqi h LYS 149 Cb 0.16 -0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.74 1aqi h LYS 149 CO -0.17 0.10 0.42 0.00 -3.45 0.00 0.00 179.45 176.35 1aqi h ALA 150 N 0.92 0.89 -0.29 5.00 0.00 -0.54 -1.76 119.26 123.47 1aqi h ALA 150 Ca 0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1aqi h ALA 150 Cb 0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1aqi h ALA 150 CO -0.00 0.19 0.10 0.28 0.00 0.00 0.00 179.25 179.82 1aqi h VAL 151 N 0.83 1.13 0.00 0.00 2.07 -1.16 -2.40 116.25 116.71 1aqi h VAL 151 Ca 0.27 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1aqi h VAL 151 Cb 0.02 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1aqi h VAL 151 CO -0.11 0.15 0.00 0.03 0.02 0.00 0.00 177.57 177.66 1aqi h ARG 152 N 0.41 0.00 -0.50 1.57 3.08 -0.98 -3.03 114.38 114.93 1aqi h ARG 152 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1aqi h ARG 152 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1aqi h ARG 152 CO -0.01 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.17 1aqi n LEU 153 N -2.95 3.03 -4.76 3.04 4.77 -0.91 -4.94 117.00 114.29 1aqi n LEU 153 Ca 0.03 -1.45 -0.39 0.00 -0.03 0.00 0.00 56.01 54.17 1aqi n LEU 153 Cb 0.43 -0.33 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 1aqi n LEU 153 CO 0.31 0.72 0.27 -0.22 -1.33 0.00 0.00 177.39 177.14 1aqi s LEU 154 N -1.16 4.38 0.69 2.23 2.96 -1.15 -0.32 118.68 126.31 1aqi s LEU 154 Ca 0.38 1.09 -0.12 0.00 -0.22 0.00 0.00 54.13 55.26 1aqi s LEU 154 Cb 0.21 -2.87 0.01 0.00 0.50 0.00 0.00 46.19 44.03 1aqi s LEU 154 CO 0.28 0.08 1.07 -0.54 -1.32 0.00 0.00 176.35 175.92 1aqi s LYS 155 N -0.00 2.82 0.18 1.98 1.02 -0.28 -4.80 119.74 120.65 1aqi s LYS 155 Ca 0.30 1.10 -0.32 0.00 0.02 0.00 0.00 55.97 57.08 1aqi s LYS 155 Cb -0.17 -1.97 -0.11 0.00 -0.52 0.00 0.00 37.83 35.05 1aqi s LYS 155 CO 0.16 -1.20 1.77 -2.14 -0.92 0.00 0.00 175.35 173.01 1aqi s PRO 156 N -4.73 4.13 0.00 -1.68 0.02 -1.26 -0.43 135.00 131.04 1aqi s PRO 156 Ca 0.61 2.61 0.00 0.00 0.02 0.00 0.00 61.00 64.24 1aqi s PRO 156 Cb -0.16 -3.27 0.00 0.00 0.02 0.00 0.00 34.50 31.09 1aqi s PRO 156 CO 0.50 -0.79 0.00 0.41 -0.33 0.00 0.00 177.00 176.79 1aqi n GLY 157 N 4.08 1.00 3.77 0.52 0.00 -0.77 -5.00 105.19 108.79 1aqi n GLY 157 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1aqi n GLY 157 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aqi s GLY 158 N -1.69 1.66 0.20 -0.02 0.00 0.42 -4.59 107.32 103.31 1aqi s GLY 158 Ca 0.00 0.12 0.10 0.00 0.00 0.00 0.00 44.72 44.94 1aqi s GLY 158 CO 0.00 0.50 -0.19 -1.34 0.00 0.00 0.00 173.10 172.08 1aqi s VAL 159 N -2.95 2.04 -0.02 1.40 -7.23 -0.41 -1.46 120.40 111.76 1aqi s VAL 159 Ca 0.61 -2.10 0.01 0.00 -1.81 0.00 0.00 61.98 58.70 1aqi s VAL 159 Cb -0.17 -2.03 0.01 0.00 0.56 0.00 0.00 36.38 34.75 1aqi s VAL 159 CO 0.56 -0.35 -0.05 -0.22 -0.31 0.00 0.00 175.10 174.73 1aqi s LEU 160 N -2.98 1.72 -0.14 1.32 0.20 -0.16 -1.52 118.68 117.13 1aqi s LEU 160 Ca 0.21 -0.10 -0.01 0.00 0.69 0.00 0.00 54.13 54.91 1aqi s LEU 160 Cb -0.05 -0.34 0.04 0.00 -0.43 0.00 0.00 46.19 45.41 1aqi s LEU 160 CO 0.09 0.02 -0.01 -0.69 -0.29 0.00 0.00 176.35 175.46 1aqi s VAL 161 N 0.29 0.70 0.06 1.68 1.01 0.00 -1.29 120.40 122.85 1aqi s VAL 161 Ca -0.03 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.66 1aqi s VAL 161 Cb -0.07 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 1aqi s VAL 161 CO -0.00 0.11 -0.11 -0.36 0.00 0.00 0.00 175.10 174.74 1aqi s PHE 162 N 1.81 0.92 -0.23 5.22 0.40 -1.06 -2.14 117.98 122.91 1aqi s PHE 162 Ca 0.02 -0.50 -0.07 0.00 -0.60 0.00 0.00 56.93 55.78 1aqi s PHE 162 Cb -0.14 -0.53 -0.03 0.00 0.51 0.00 0.00 43.02 42.82 1aqi s PHE 162 CO -0.07 -0.02 0.07 0.08 0.70 0.00 0.00 175.22 175.98 1aqi s VAL 163 N -1.41 4.50 0.16 -0.44 1.01 -1.14 -1.77 120.40 121.31 1aqi s VAL 163 Ca -0.06 -0.12 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 1aqi s VAL 163 Cb -0.09 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 1aqi s VAL 163 CO 0.01 0.38 0.15 0.68 0.00 0.00 0.00 175.10 176.32 1aqi s VAL 164 N 1.19 0.06 0.87 2.92 -7.23 -0.28 -4.41 120.40 113.52 1aqi s VAL 164 Ca 0.05 -1.78 -0.10 0.00 -1.81 0.00 0.00 61.98 58.33 1aqi s VAL 164 Cb -0.14 -2.12 0.11 0.00 0.56 0.00 0.00 36.38 34.79 1aqi s VAL 164 CO 0.03 -0.28 1.11 -2.84 -0.31 0.00 0.00 175.10 172.82 1aqi s PRO 165 N -4.06 1.45 0.00 4.82 0.02 -1.26 -0.91 135.00 135.06 1aqi s PRO 165 Ca 0.26 1.29 0.28 0.00 0.02 0.00 0.00 61.00 62.85 1aqi s PRO 165 Cb 0.06 -1.80 1.09 0.00 0.02 0.00 0.00 34.50 33.87 1aqi s PRO 165 CO 0.04 -2.24 1.77 0.00 -0.33 0.00 0.00 177.00 176.24 1aqi n ALA 166 N -3.94 2.84 -0.18 -1.55 0.00 -0.61 -4.33 120.51 112.74 1aqi n ALA 166 Ca 0.10 -0.32 0.11 0.00 0.00 0.00 0.00 53.44 53.32 1aqi n ALA 166 Cb 0.53 -1.27 0.42 0.00 0.00 0.00 0.00 19.45 19.13 1aqi n ALA 166 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1aqi h THR 167 N 0.89 0.90 0.00 0.00 1.35 -1.85 -2.00 112.91 112.21 1aqi h THR 167 Ca 0.00 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 1aqi h THR 167 Cb 0.40 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.07 1aqi h THR 167 CO 0.00 0.11 0.00 -2.67 -0.25 0.00 0.00 175.52 172.71 1aqi n TRP 168 N -4.50 0.30 0.11 4.73 4.27 -1.26 -1.99 117.44 119.09 1aqi n TRP 168 Ca 0.13 0.15 -0.04 0.00 -3.89 0.00 0.00 57.50 53.85 1aqi n TRP 168 Cb 0.38 -0.74 0.08 0.00 -1.36 0.00 0.00 31.31 29.68 1aqi n TRP 168 CO 0.00 0.00 0.00 -0.07 -2.29 0.00 0.00 177.69 175.33 1aqi h LEU 169 N 0.00 0.08 0.00 5.67 3.38 -1.69 -3.40 115.31 119.35 1aqi h LEU 169 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1aqi h LEU 169 Cb 0.06 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1aqi h LEU 169 CO 0.00 0.77 -0.93 1.33 0.09 0.00 0.00 178.44 179.70 1aqi n VAL 170 N -3.71 0.00 -2.35 1.22 0.24 -1.00 -1.89 118.33 110.84 1aqi n VAL 170 Ca -0.02 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.90 1aqi n VAL 170 Cb 0.70 -0.47 -0.03 0.00 -1.47 0.00 0.00 33.84 32.57 1aqi n VAL 170 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1aqi s LEU 171 N -3.47 4.29 0.39 1.34 1.43 -0.84 -4.96 118.68 116.85 1aqi s LEU 171 Ca 0.00 2.32 0.27 0.00 -1.03 0.00 0.00 54.13 55.69 1aqi s LEU 171 Cb 0.00 -3.92 0.91 0.00 0.03 0.00 0.00 46.19 43.20 1aqi s LEU 171 CO 0.00 -0.52 1.79 -0.33 0.23 0.00 0.00 176.35 177.52 1aqi h GLU 172 N 2.94 0.00 0.00 1.70 4.39 -1.94 -2.64 114.58 119.03 1aqi h GLU 172 Ca -0.48 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.21 1aqi h GLU 172 Cb 1.23 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1aqi h GLU 172 CO 0.64 0.00 -0.01 -0.44 -1.16 0.00 0.00 179.01 178.03 1aqi h ASP 173 N 0.00 0.00 -0.56 1.42 5.19 -1.93 -2.31 116.42 118.24 1aqi h ASP 173 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1aqi h ASP 173 Cb 0.65 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.16 1aqi h ASP 173 CO 0.00 0.01 0.00 0.49 -3.12 0.00 0.00 179.24 176.62 1aqi n PHE 174 N -3.13 0.93 -0.20 4.55 3.72 -1.00 -4.29 117.46 118.05 1aqi n PHE 174 Ca -0.01 -0.55 -0.03 0.00 -0.05 0.00 0.00 57.45 56.81 1aqi n PHE 174 Cb 0.24 -0.09 0.17 0.00 -0.94 0.00 0.00 39.48 38.86 1aqi n PHE 174 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1aqi h ALA 175 N 3.33 1.22 -0.00 4.37 0.00 -1.48 -1.44 119.26 125.27 1aqi h ALA 175 Ca 0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 1aqi h ALA 175 Cb 1.05 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1aqi h ALA 175 CO 0.07 0.57 -0.58 -0.07 0.00 0.00 0.00 179.25 179.24 1aqi h LEU 176 N 0.97 0.01 -0.18 0.00 3.38 -1.80 -2.86 115.31 114.82 1aqi h LEU 176 Ca 0.23 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 1aqi h LEU 176 Cb 0.16 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1aqi h LEU 176 CO -0.02 0.58 -0.06 0.25 0.09 0.00 0.00 178.44 179.28 1aqi h LEU 177 N 0.00 0.36 -0.88 1.67 5.85 -1.59 -2.03 115.31 118.70 1aqi h LEU 177 Ca -0.01 -0.38 0.07 0.00 0.84 0.00 0.00 57.88 58.40 1aqi h LEU 177 Cb 1.03 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.89 1aqi h LEU 177 CO 0.08 0.66 0.55 0.03 -0.34 0.00 0.00 178.44 179.41 1aqi h ARG 178 N 0.06 0.95 -0.29 1.25 3.08 -1.26 -1.14 114.38 117.03 1aqi h ARG 178 Ca 0.04 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1aqi h ARG 178 Cb 0.51 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1aqi h ARG 178 CO 0.02 0.63 0.07 0.93 -1.07 0.00 0.00 179.97 180.55 1aqi h GLU 179 N 0.98 0.47 0.03 0.04 5.08 -1.41 0.03 114.58 119.81 1aqi h GLU 179 Ca 0.39 -0.12 0.03 0.00 -1.00 0.00 0.00 59.36 58.66 1aqi h GLU 179 Cb 0.20 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1aqi h GLU 179 CO -0.18 0.56 -0.27 0.35 -1.00 0.00 0.00 179.01 178.47 1aqi h PHE 180 N 0.31 -0.72 -0.55 4.33 3.57 -0.77 -1.06 116.94 122.06 1aqi h PHE 180 Ca 0.09 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.64 1aqi h PHE 180 Cb 0.30 0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.32 1aqi h PHE 180 CO 0.02 -0.36 0.33 -0.07 -2.23 0.00 0.00 178.31 176.00 1aqi h LEU 181 N -0.43 0.54 -1.57 0.59 4.07 -1.17 -1.53 115.31 115.81 1aqi h LEU 181 Ca 0.05 0.00 0.08 0.00 0.08 0.00 0.00 57.88 58.10 1aqi h LEU 181 Cb 0.50 -0.11 -0.04 0.00 1.08 0.00 0.00 40.66 42.09 1aqi h LEU 181 CO -0.21 0.38 0.41 0.00 -1.08 0.00 0.00 178.44 177.94 1aqi h ALA 182 N 1.24 1.91 0.00 1.53 0.00 -0.30 -2.80 119.26 120.84 1aqi h ALA 182 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1aqi h ALA 182 Cb 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1aqi h ALA 182 CO -0.10 -0.03 -1.18 2.89 0.00 0.00 0.00 179.25 180.83 1aqi n ARG 183 N -4.48 0.19 0.04 0.00 1.85 -0.46 -4.42 116.66 109.38 1aqi n ARG 183 Ca 0.09 -0.04 0.11 0.00 -1.00 0.00 0.00 57.85 57.02 1aqi n ARG 183 Cb 0.31 -1.52 0.05 0.00 -1.05 0.00 0.00 32.46 30.24 1aqi n ARG 183 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1aqi n GLU 184 N -1.74 0.31 -3.08 2.89 -0.58 -0.62 -4.83 120.64 112.98 1aqi n GLU 184 Ca 0.02 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 1aqi n GLU 184 Cb 0.40 -1.62 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 1aqi n GLU 184 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1aqi n GLY 185 N 1.35 -0.94 3.87 0.62 0.00 -1.14 -4.07 105.19 104.88 1aqi n GLY 185 Ca 0.02 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 44.92 1aqi n GLY 185 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aqi s LYS 186 N -0.16 3.55 -0.07 1.61 0.00 -0.77 -3.20 119.74 120.69 1aqi s LYS 186 Ca 0.00 -0.04 0.05 0.00 0.00 0.00 0.00 55.97 55.98 1aqi s LYS 186 Cb 0.00 -3.20 -0.01 0.00 0.00 0.00 0.00 37.83 34.62 1aqi s LYS 186 CO 0.00 0.75 -0.23 0.99 0.00 0.00 0.00 175.35 176.86 1aqi s THR 187 N -0.98 2.23 -0.15 3.79 2.01 0.14 -2.36 115.64 120.33 1aqi s THR 187 Ca 0.16 -0.99 0.02 0.00 0.31 0.00 0.00 61.69 61.19 1aqi s THR 187 Cb -0.13 -1.84 0.01 0.00 0.01 0.00 0.00 72.50 70.56 1aqi s THR 187 CO 0.05 0.57 -0.21 -0.44 -0.69 0.00 0.00 174.62 173.90 1aqi s SER 188 N -0.06 3.17 -0.20 3.53 0.01 -0.29 -0.92 113.70 118.93 1aqi s SER 188 Ca -0.06 -0.60 -0.01 0.00 1.31 0.00 0.00 55.95 56.58 1aqi s SER 188 Cb -0.15 -1.46 0.01 0.00 0.21 0.00 0.00 66.02 64.63 1aqi s SER 188 CO 0.05 0.07 -0.12 -0.69 0.41 0.00 0.00 173.24 172.96 1aqi s VAL 189 N 0.90 2.73 -0.27 3.43 1.01 -0.52 -0.65 120.40 127.03 1aqi s VAL 189 Ca -0.05 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.12 1aqi s VAL 189 Cb -0.15 -2.22 -0.00 0.00 0.00 0.00 0.00 36.38 34.01 1aqi s VAL 189 CO -0.04 0.46 0.06 -0.31 0.00 0.00 0.00 175.10 175.27 1aqi s TYR 190 N 1.38 3.11 -0.19 5.22 1.51 0.30 -0.37 117.35 128.31 1aqi s TYR 190 Ca 0.05 -0.85 -0.29 0.00 -1.01 0.00 0.00 57.07 54.96 1aqi s TYR 190 Cb -0.14 -2.23 -0.00 0.00 -0.11 0.00 0.00 41.96 39.48 1aqi s TYR 190 CO -0.08 -0.53 1.16 -0.47 -1.11 0.00 0.00 175.55 174.52 1aqi s TYR 191 N 1.52 3.09 -0.19 2.71 5.04 -0.79 -0.81 117.35 127.91 1aqi s TYR 191 Ca 0.04 1.23 0.02 0.00 -2.44 0.00 0.00 57.07 55.92 1aqi s TYR 191 Cb -0.16 -3.39 -0.13 0.00 0.35 0.00 0.00 41.96 38.63 1aqi s TYR 191 CO 0.02 -1.11 -0.16 1.28 -1.34 0.00 0.00 175.55 174.23 1aqi n LEU 192 N 6.42 2.84 0.00 6.97 4.77 -0.79 -3.76 117.00 133.45 1aqi n LEU 192 Ca 0.13 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1aqi n LEU 192 Cb 0.45 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1aqi n LEU 192 CO 0.54 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 178.02 1aqi n GLY 193 N 2.55 -0.70 3.25 -0.72 0.00 -0.16 -4.63 105.19 104.78 1aqi n GLY 193 Ca -0.34 -1.71 -0.43 0.00 0.00 0.00 0.00 46.02 43.54 1aqi n GLY 193 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1aqi n GLU 194 N 0.00 3.27 0.02 1.61 1.02 -1.26 0.16 120.64 125.47 1aqi n GLU 194 Ca 0.00 -3.38 0.11 0.00 -0.02 0.00 0.00 57.16 53.87 1aqi n GLU 194 Cb 0.00 -3.21 0.06 0.00 -0.02 0.00 0.00 31.44 28.27 1aqi n GLU 194 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1aqi n VAL 195 N 5.01 0.13 -2.78 2.62 0.24 -1.26 -4.93 118.33 117.36 1aqi n VAL 195 Ca 0.44 -0.18 -0.32 0.00 -2.04 0.00 0.00 64.34 62.25 1aqi n VAL 195 Cb 0.42 0.27 -0.04 0.00 -1.47 0.00 0.00 33.84 33.02 1aqi n VAL 195 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1aqi s PHE 196 N -3.14 3.42 0.61 6.34 0.08 -1.26 -4.85 117.98 119.18 1aqi s PHE 196 Ca 0.06 1.28 0.32 0.00 0.12 0.00 0.00 56.93 58.70 1aqi s PHE 196 Cb 0.15 -2.62 1.83 0.00 -0.57 0.00 0.00 43.02 41.82 1aqi s PHE 196 CO 0.78 -0.14 2.18 -1.00 -0.10 0.00 0.00 175.22 176.95 1aqi h PRO 197 N 1.47 0.00 -5.97 0.24 0.13 -1.92 -3.35 132.00 122.60 1aqi h PRO 197 Ca -0.47 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.05 1aqi h PRO 197 Cb 1.18 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.20 1aqi h PRO 197 CO 0.63 0.00 0.49 -0.65 -0.23 0.00 0.00 178.00 178.24 1aqi s GLN 198 N -4.52 3.66 0.00 0.86 1.11 -1.26 -4.97 119.66 114.54 1aqi s GLN 198 Ca -0.05 0.27 0.28 0.00 0.01 0.00 0.00 55.36 55.87 1aqi s GLN 198 Cb 0.14 -3.86 1.59 0.00 -1.01 0.00 0.00 33.01 29.88 1aqi s GLN 198 CO 0.51 -1.03 2.01 1.63 0.01 0.00 0.00 175.29 178.42 1aqi n LYS 199 N 6.77 0.73 -0.23 2.91 4.76 -1.26 -4.00 118.16 127.84 1aqi n LYS 199 Ca 0.05 0.01 0.07 0.00 -2.87 0.00 0.00 58.31 55.57 1aqi n LYS 199 Cb 0.48 -1.50 0.19 0.00 -1.84 0.00 0.00 35.03 32.37 1aqi n LYS 199 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1aqi n LYS 200 N -1.09 2.04 -4.10 1.97 2.85 -1.26 -4.82 118.16 113.74 1aqi n LYS 200 Ca 0.19 -1.59 -0.33 0.00 -1.05 0.00 0.00 58.31 55.53 1aqi n LYS 200 Cb 0.14 -1.35 -0.16 0.00 -0.65 0.00 0.00 35.03 33.01 1aqi n LYS 200 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 1aqi s VAL 201 N -1.42 2.07 -0.19 0.58 -7.23 -1.26 -4.96 120.40 107.98 1aqi s VAL 201 Ca 0.29 -1.09 -0.20 0.00 -1.81 0.00 0.00 61.98 59.18 1aqi s VAL 201 Cb 0.15 -1.94 -0.03 0.00 0.56 0.00 0.00 36.38 35.13 1aqi s VAL 201 CO 0.20 0.41 0.60 -0.55 -0.31 0.00 0.00 175.10 175.44 1aqi s SER 202 N 1.25 6.66 0.25 4.85 0.15 -1.26 -4.03 113.70 121.57 1aqi s SER 202 Ca 0.02 0.80 0.06 0.00 0.70 0.00 0.00 55.95 57.53 1aqi s SER 202 Cb -0.15 -2.33 -0.03 0.00 -1.71 0.00 0.00 66.02 61.80 1aqi s SER 202 CO -0.11 -0.24 0.31 0.00 1.20 0.00 0.00 173.24 174.40 1aqi s ALA 203 N 1.77 3.82 -0.07 5.45 0.00 0.43 -1.57 121.76 131.60 1aqi s ALA 203 Ca 0.28 -1.30 -0.09 0.00 0.00 0.00 0.00 51.96 50.85 1aqi s ALA 203 Cb -0.16 -1.58 0.02 0.00 0.00 0.00 0.00 23.12 21.40 1aqi s ALA 203 CO 0.10 0.23 0.23 0.54 0.00 0.00 0.00 175.76 176.87 1aqi s VAL 204 N -2.04 0.01 -0.20 0.00 0.11 -0.09 -0.98 120.40 117.21 1aqi s VAL 204 Ca 0.34 -0.11 -0.07 0.00 -2.93 0.00 0.00 61.98 59.22 1aqi s VAL 204 Cb -0.09 -0.37 -0.03 0.00 -1.53 0.00 0.00 36.38 34.36 1aqi s VAL 204 CO 0.28 -0.06 0.04 -0.69 -3.33 0.00 0.00 175.10 171.34 1aqi s VAL 205 N -0.14 4.44 -0.16 2.04 1.01 0.01 -1.13 120.40 126.47 1aqi s VAL 205 Ca -0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.78 1aqi s VAL 205 Cb -0.03 -3.01 -0.02 0.00 0.00 0.00 0.00 36.38 33.32 1aqi s VAL 205 CO 0.01 0.43 -0.08 -0.51 0.00 0.00 0.00 175.10 174.95 1aqi s ILE 206 N 0.75 3.45 -0.21 2.22 2.07 -0.73 -0.54 121.20 128.22 1aqi s ILE 206 Ca 0.02 -0.51 -0.03 0.00 -1.41 0.00 0.00 60.65 58.72 1aqi s ILE 206 Cb -0.14 -2.50 -0.01 0.00 0.13 0.00 0.00 42.46 39.95 1aqi s ILE 206 CO 0.02 0.49 -0.07 -0.60 -1.91 0.00 0.00 174.94 172.88 1aqi s ARG 207 N 0.56 3.35 -0.05 3.50 3.52 0.18 -2.57 118.95 127.44 1aqi s ARG 207 Ca -0.05 -0.65 0.04 0.00 -0.13 0.00 0.00 55.73 54.94 1aqi s ARG 207 Cb -0.15 -2.93 -0.00 0.00 -1.56 0.00 0.00 34.95 30.31 1aqi s ARG 207 CO 0.03 -0.14 -0.17 0.12 -0.81 0.00 0.00 175.30 174.33 1aqi s PHE 208 N 1.31 1.76 -0.10 5.12 2.19 -0.41 -1.14 117.98 126.71 1aqi s PHE 208 Ca 0.04 -0.56 0.03 0.00 0.33 0.00 0.00 56.93 56.77 1aqi s PHE 208 Cb -0.14 -1.20 0.01 0.00 -1.31 0.00 0.00 43.02 40.37 1aqi s PHE 208 CO -0.03 -0.21 -0.20 -1.14 1.83 0.00 0.00 175.22 175.47 1aqi s GLN 209 N 0.17 2.66 -0.82 10.12 0.74 -1.00 -0.99 119.66 130.55 1aqi s GLN 209 Ca -0.07 -0.74 -0.16 0.00 0.05 0.00 0.00 55.36 54.44 1aqi s GLN 209 Cb -0.13 -2.09 -0.12 0.00 1.10 0.00 0.00 33.01 31.77 1aqi s GLN 209 CO 0.03 0.08 1.98 1.17 -0.55 0.00 0.00 175.29 178.00 1aqi n LYS 210 N 3.78 1.70 -2.92 1.67 4.81 -0.54 -1.85 118.16 124.82 1aqi n LYS 210 Ca -0.20 -1.71 -0.14 0.00 -0.87 0.00 0.00 58.31 55.40 1aqi n LYS 210 Cb 0.52 -2.75 0.01 0.00 0.02 0.00 0.00 35.03 32.83 1aqi n LYS 210 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1aqi n SER 211 N 6.32 -1.62 0.00 3.14 7.64 -1.26 -1.84 113.62 126.01 1aqi n SER 211 Ca 0.47 -3.14 0.00 0.00 1.01 0.00 0.00 58.87 57.21 1aqi n SER 211 Cb 0.31 0.90 0.00 0.00 -1.01 0.00 0.00 64.21 64.41 1aqi n SER 211 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1aqi n GLY 212 N 1.33 0.00 2.66 0.23 0.00 -1.26 -3.86 105.19 104.29 1aqi n GLY 212 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.11 1aqi n GLY 212 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1aqi n LYS 213 N 0.00 0.32 0.00 1.61 0.00 -1.19 -4.73 118.16 114.17 1aqi n LYS 213 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 58.31 57.44 1aqi n LYS 213 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 35.03 34.99 1aqi n LYS 213 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1aqi n GLY 214 N -0.41 -1.05 2.97 3.14 0.00 -1.25 -4.71 105.19 103.88 1aqi n GLY 214 Ca -0.22 -1.21 -0.15 0.00 0.00 0.00 0.00 46.02 44.44 1aqi n GLY 214 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1aqi s LEU 215 N 0.00 2.05 -0.09 0.99 1.98 -0.32 -0.68 118.68 122.61 1aqi s LEU 215 Ca 0.00 -0.17 0.02 0.00 -2.89 0.00 0.00 54.13 51.09 1aqi s LEU 215 Cb 0.00 -0.23 0.01 0.00 0.66 0.00 0.00 46.19 46.63 1aqi s LEU 215 CO 0.00 0.01 -0.16 -0.44 -1.89 0.00 0.00 176.35 173.88 1aqi s SER 216 N -0.38 2.33 -0.21 3.68 0.01 -0.10 0.37 113.70 119.40 1aqi s SER 216 Ca -0.00 -0.41 -0.07 0.00 1.31 0.00 0.00 55.95 56.78 1aqi s SER 216 Cb -0.03 -1.06 -0.03 0.00 0.21 0.00 0.00 66.02 65.11 1aqi s SER 216 CO -0.00 0.04 0.06 -0.22 0.41 0.00 0.00 173.24 173.53 1aqi s LEU 217 N 0.80 3.59 0.03 2.44 2.96 0.35 -1.44 118.68 127.42 1aqi s LEU 217 Ca -0.11 -0.08 0.09 0.00 -0.22 0.00 0.00 54.13 53.81 1aqi s LEU 217 Cb -0.16 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 1aqi s LEU 217 CO 0.02 0.07 -0.25 0.26 -1.32 0.00 0.00 176.35 175.12 1aqi s TRP 218 N 1.01 2.37 0.60 5.38 0.52 0.51 -0.55 118.94 128.78 1aqi s TRP 218 Ca 0.04 -0.39 0.08 0.00 0.02 0.00 0.00 56.10 55.85 1aqi s TRP 218 Cb -0.14 -1.42 0.10 0.00 -1.15 0.00 0.00 33.47 30.86 1aqi s TRP 218 CO 0.03 0.13 0.83 0.34 0.02 0.00 0.00 176.95 178.30 1aqi s ASP 219 N -1.18 4.96 -0.07 2.95 -1.08 0.23 -1.89 116.67 120.60 1aqi s ASP 219 Ca 0.12 -0.81 -0.09 0.00 -0.52 0.00 0.00 52.55 51.26 1aqi s ASP 219 Cb -0.10 0.31 0.02 0.00 -1.46 0.00 0.00 42.92 41.69 1aqi s ASP 219 CO 0.02 -1.45 0.23 -0.89 0.52 0.00 0.00 175.17 173.60 1aqi s THR 220 N -2.75 0.02 -0.14 1.71 2.01 -1.25 -1.12 115.64 114.12 1aqi s THR 220 Ca 0.63 -0.16 -0.02 0.00 0.31 0.00 0.00 61.69 62.44 1aqi s THR 220 Cb -0.05 -0.38 -0.02 0.00 0.01 0.00 0.00 72.50 72.05 1aqi s THR 220 CO 0.40 -0.09 -0.08 -1.58 -0.69 0.00 0.00 174.62 172.58 1aqi s GLN 221 N -0.27 3.54 -0.19 4.92 -0.44 0.22 -4.93 119.66 122.52 1aqi s GLN 221 Ca -0.04 -0.59 -0.11 0.00 -2.50 0.00 0.00 55.36 52.12 1aqi s GLN 221 Cb -0.03 -2.79 -0.05 0.00 -1.64 0.00 0.00 33.01 28.50 1aqi s GLN 221 CO 0.01 0.23 0.17 -2.00 0.50 0.00 0.00 175.29 174.20 1aqi s GLU 222 N 0.36 4.20 0.00 1.67 2.12 -1.26 -0.31 118.70 125.48 1aqi s GLU 222 Ca -0.07 -0.14 0.00 0.00 0.36 0.00 0.00 54.97 55.12 1aqi s GLU 222 Cb -0.15 -3.42 0.00 0.00 0.26 0.00 0.00 34.13 30.82 1aqi s GLU 222 CO 0.04 0.29 0.00 -1.13 -0.54 0.00 0.00 175.26 173.92 1aqi n SER 223 N 3.52 0.00 -0.08 -1.70 3.41 -0.03 -5.02 113.62 113.72 1aqi n SER 223 Ca -0.15 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.34 1aqi n SER 223 Cb 0.52 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.42 1aqi n SER 223 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1aqi h GLU 224 N 0.00 0.50 -0.12 4.33 4.39 -2.03 -3.25 114.58 118.40 1aqi h GLU 224 Ca 0.00 -0.23 -0.11 0.00 0.34 0.00 0.00 59.36 59.35 1aqi h GLU 224 Cb 0.00 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1aqi h GLU 224 CO 0.00 0.79 -0.42 0.66 -1.16 0.00 0.00 179.01 178.88 1aqi h SER 225 N 0.20 0.29 0.00 1.42 4.64 -2.00 -3.49 113.55 114.61 1aqi h SER 225 Ca 0.05 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1aqi h SER 225 Cb 0.66 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1aqi h SER 225 CO 0.04 0.68 0.00 0.61 -0.87 0.00 0.00 176.83 177.29 1aqi n GLY 226 N -0.14 0.19 3.62 -0.77 0.00 -1.23 -5.04 105.19 101.83 1aqi n GLY 226 Ca -0.02 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 1aqi n GLY 226 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1aqi s PHE 227 N 0.00 2.93 -0.17 1.61 0.08 -1.26 -0.85 117.98 120.31 1aqi s PHE 227 Ca 0.00 -0.02 0.00 0.00 0.12 0.00 0.00 56.93 57.03 1aqi s PHE 227 Cb 0.00 -1.60 0.04 0.00 -0.57 0.00 0.00 43.02 40.89 1aqi s PHE 227 CO 0.00 0.41 -0.08 0.99 -0.10 0.00 0.00 175.22 176.44 1aqi s THR 228 N -1.07 1.35 0.56 0.64 2.01 0.58 -4.93 115.64 114.78 1aqi s THR 228 Ca 0.19 -0.76 -0.16 0.00 0.31 0.00 0.00 61.69 61.27 1aqi s THR 228 Cb -0.11 -1.46 -0.05 0.00 0.01 0.00 0.00 72.50 70.89 1aqi s THR 228 CO 0.10 0.19 1.04 -2.16 -0.69 0.00 0.00 174.62 173.10 1aqi s PRO 229 N 1.53 3.50 -0.11 4.92 0.04 -1.26 0.72 135.00 144.34 1aqi s PRO 229 Ca 0.01 1.17 -0.04 0.00 0.04 0.00 0.00 61.00 62.19 1aqi s PRO 229 Cb -0.15 -2.06 0.05 0.00 0.04 0.00 0.00 34.50 32.38 1aqi s PRO 229 CO -0.08 -0.66 0.14 0.42 0.04 0.00 0.00 177.00 176.86 1aqi s ILE 230 N -2.43 -0.21 0.14 0.56 1.01 -0.28 -4.88 121.20 115.12 1aqi s ILE 230 Ca 0.63 0.19 -0.31 0.00 0.00 0.00 0.00 60.65 61.15 1aqi s ILE 230 Cb -0.15 -0.39 -0.10 0.00 0.01 0.00 0.00 42.46 41.84 1aqi s ILE 230 CO 0.34 0.01 1.61 -0.22 0.00 0.00 0.00 174.94 176.67 1aqi s LEU 231 N 2.25 4.37 -0.26 2.97 2.96 -1.26 0.78 118.68 130.48 1aqi s LEU 231 Ca 0.04 2.60 -0.14 0.00 -0.22 0.00 0.00 54.13 56.41 1aqi s LEU 231 Cb -0.13 -3.58 -0.11 0.00 0.50 0.00 0.00 46.19 42.86 1aqi s LEU 231 CO -0.07 -0.86 -0.35 1.87 -1.32 0.00 0.00 176.35 175.63 1aqi n TRP 232 N 4.48 0.00 -3.45 5.38 -0.00 0.29 -4.84 117.44 119.31 1aqi n TRP 232 Ca 0.15 0.00 -0.12 0.00 -0.00 0.00 0.00 57.50 57.53 1aqi n TRP 232 Cb 0.39 -0.91 -0.02 0.00 -0.00 0.00 0.00 31.31 30.76 1aqi n TRP 232 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1aqi s ALA 233 N -2.54 -1.66 -0.03 5.87 0.00 -1.02 -5.02 121.76 117.36 1aqi s ALA 233 Ca -0.37 0.68 0.05 0.00 0.00 0.00 0.00 51.96 52.32 1aqi s ALA 233 Cb 0.13 0.70 -0.01 0.00 0.00 0.00 0.00 23.12 23.94 1aqi s ALA 233 CO 0.47 -0.71 -0.17 -1.21 0.00 0.00 0.00 175.76 174.14 1aqi s GLU 234 N -3.36 1.56 -0.56 0.00 2.02 -1.26 -0.49 118.70 116.61 1aqi s GLU 234 Ca 0.01 -0.60 0.04 0.00 0.02 0.00 0.00 54.97 54.44 1aqi s GLU 234 Cb -0.01 -1.43 0.16 0.00 0.10 0.00 0.00 34.13 32.95 1aqi s GLU 234 CO -0.10 0.30 0.37 0.71 0.02 0.00 0.00 175.26 176.56 1aqi s TYR 235 N -0.16 2.69 0.39 1.61 1.51 0.16 -4.97 117.35 118.57 1aqi s TYR 235 Ca 0.01 -2.92 0.39 0.00 -1.01 0.00 0.00 57.07 53.55 1aqi s TYR 235 Cb -0.09 -2.21 1.93 0.00 -0.11 0.00 0.00 41.96 41.48 1aqi s TYR 235 CO 0.01 -0.68 2.18 -1.00 -1.11 0.00 0.00 175.55 174.95 1aqi h PRO 236 N 5.91 0.00 -0.44 -1.71 0.13 -1.90 -0.75 132.00 133.23 1aqi h PRO 236 Ca 0.10 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.18 1aqi h PRO 236 Cb 0.84 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.94 1aqi h PRO 236 CO 0.60 0.00 0.04 0.72 -0.23 0.00 0.00 178.00 179.13 1aqi n HIS 237 N -3.06 1.54 -1.69 1.56 8.25 -1.26 -3.86 115.22 116.69 1aqi n HIS 237 Ca -0.01 -0.95 -0.44 0.00 -0.26 0.00 0.00 57.72 56.06 1aqi n HIS 237 Cb 0.18 -0.45 -0.04 0.00 1.12 0.00 0.00 29.99 30.80 1aqi n HIS 237 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85 1aqi n TRP 238 N -0.19 2.51 -0.40 4.41 -0.00 -1.04 -4.90 117.44 117.83 1aqi n TRP 238 Ca 0.28 0.17 0.03 0.00 -0.00 0.00 0.00 57.50 57.97 1aqi n TRP 238 Cb 1.08 -2.60 0.04 0.00 -0.00 0.00 0.00 31.31 29.82 1aqi n TRP 238 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 1aqi n GLU 239 N 3.57 2.28 0.00 5.87 1.02 -1.26 -4.81 120.64 127.31 1aqi n GLU 239 Ca 0.16 -1.71 0.00 0.00 -0.02 0.00 0.00 57.16 55.59 1aqi n GLU 239 Cb 0.32 -1.09 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 1aqi n GLU 239 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1aqi n GLY 240 N -0.71 1.35 3.74 0.62 0.00 -1.26 -4.51 105.19 104.42 1aqi n GLY 240 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1aqi n GLY 240 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1aqi s GLU 241 N -0.33 1.66 0.43 1.61 8.01 -1.26 -4.54 118.70 124.28 1aqi s GLU 241 Ca 0.00 1.00 -0.25 0.00 0.01 0.00 0.00 54.97 55.73 1aqi s GLU 241 Cb 0.00 -1.84 -0.09 0.00 -4.31 0.00 0.00 34.13 27.88 1aqi s GLU 241 CO 0.00 -2.01 1.28 -0.89 0.01 0.00 0.00 175.26 173.65 1aqi n ILE 242 N -3.75 2.63 -3.80 -1.63 5.41 -1.26 -4.98 119.36 111.98 1aqi n ILE 242 Ca 0.08 -0.50 -0.35 0.00 1.00 0.00 0.00 62.75 62.98 1aqi n ILE 242 Cb 0.54 -1.59 -0.09 0.00 -0.71 0.00 0.00 39.64 37.79 1aqi n ILE 242 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1aqi s ILE 243 N -1.20 5.16 0.07 1.39 1.01 -0.79 -5.06 121.20 121.77 1aqi s ILE 243 Ca 0.61 0.10 0.00 0.00 0.00 0.00 0.00 60.65 61.37 1aqi s ILE 243 Cb -0.50 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 1aqi s ILE 243 CO 0.58 0.42 -0.05 -0.13 0.00 0.00 0.00 174.94 175.76 1aqi s ARG 244 N 0.56 0.67 -0.99 2.79 0.52 -1.26 -4.70 118.95 116.54 1aqi s ARG 244 Ca 0.06 -1.18 -0.16 0.00 -0.52 0.00 0.00 55.73 53.93 1aqi s ARG 244 Cb -0.12 -0.00 0.17 0.00 0.52 0.00 0.00 34.95 35.52 1aqi s ARG 244 CO 0.00 -0.06 1.13 -0.06 0.02 0.00 0.00 175.30 176.33 1aqi s PHE 245 N -3.41 3.45 0.42 -0.53 0.08 -0.56 -5.02 117.98 112.41 1aqi s PHE 245 Ca 0.06 -1.81 -0.16 0.00 0.12 0.00 0.00 56.93 55.13 1aqi s PHE 245 Cb 0.04 -4.16 -0.09 0.00 -0.57 0.00 0.00 43.02 38.25 1aqi s PHE 245 CO -0.06 -1.32 0.87 -1.21 -0.10 0.00 0.00 175.22 173.40 1aqi s GLU 246 N 1.54 4.01 0.22 0.44 2.02 -1.26 -3.67 118.70 122.00 1aqi s GLU 246 Ca 0.32 0.83 -0.00 0.00 0.02 0.00 0.00 54.97 56.14 1aqi s GLU 246 Cb -0.06 -2.28 -0.04 0.00 0.10 0.00 0.00 34.13 31.85 1aqi s GLU 246 CO -0.07 -0.04 0.13 0.95 0.02 0.00 0.00 175.26 176.25 1aqi s THR 247 N -2.28 0.09 0.15 3.63 -4.23 -1.26 -5.01 115.64 106.73 1aqi s THR 247 Ca 0.57 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.91 1aqi s THR 247 Cb -0.10 -2.52 0.04 0.00 1.34 0.00 0.00 72.50 71.26 1aqi s THR 247 CO 0.22 0.00 1.71 -0.08 -0.54 0.00 0.00 174.62 175.93 1aqi h GLU 248 N 2.56 0.11 -0.52 3.99 4.57 -1.99 -2.20 114.58 121.10 1aqi h GLU 248 Ca -0.36 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 57.76 1aqi h GLU 248 Cb 1.25 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.79 1aqi h GLU 248 CO 0.53 0.07 0.10 1.05 -1.18 0.00 0.00 179.01 179.59 1aqi h GLU 249 N 0.11 0.81 -0.23 1.92 4.11 -1.99 -0.89 114.58 118.43 1aqi h GLU 249 Ca 0.17 -0.17 -0.10 0.00 0.07 0.00 0.00 59.36 59.32 1aqi h GLU 249 Cb 0.22 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1aqi h GLU 249 CO -0.27 0.74 -0.28 1.79 0.07 0.00 0.00 179.01 181.07 1aqi h THR 250 N 0.77 1.27 -0.22 -1.06 1.35 -1.88 -0.93 112.91 112.22 1aqi h THR 250 Ca 0.17 -1.31 -0.10 0.00 -0.55 0.00 0.00 66.41 64.61 1aqi h THR 250 Cb 0.32 1.41 -0.00 0.00 -1.73 0.00 0.00 68.15 68.15 1aqi h THR 250 CO 0.00 0.41 -0.27 0.03 -0.25 0.00 0.00 175.52 175.45 1aqi h ARG 251 N 0.39 0.56 -0.52 4.72 3.08 -0.87 -2.18 114.38 119.57 1aqi h ARG 251 Ca 0.05 -0.32 0.04 0.00 0.07 0.00 0.00 59.98 59.83 1aqi h ARG 251 Cb 0.70 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.72 1aqi h ARG 251 CO 0.05 0.92 0.27 0.87 -1.07 0.00 0.00 179.97 181.01 1aqi h LYS 252 N 0.25 0.50 -0.74 0.04 1.57 -0.97 -2.23 116.57 114.99 1aqi h LYS 252 Ca 0.03 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1aqi h LYS 252 Cb 0.84 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.00 1aqi h LYS 252 CO 0.06 0.33 0.38 1.25 -0.57 0.00 0.00 179.45 180.90 1aqi h LEU 253 N 0.52 0.95 -0.87 2.94 6.46 -1.10 -2.68 115.31 121.54 1aqi h LEU 253 Ca 0.23 -0.12 -0.09 0.00 -0.12 0.00 0.00 57.88 57.77 1aqi h LEU 253 Cb 0.13 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 39.80 1aqi h LEU 253 CO -0.15 0.80 -0.43 -0.33 -0.62 0.00 0.00 178.44 177.71 1aqi h GLU 254 N 1.04 0.00 0.00 1.25 5.08 -0.95 -3.20 114.58 117.79 1aqi h GLU 254 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1aqi h GLU 254 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1aqi h GLU 254 CO -0.04 0.43 -0.81 -0.84 -1.00 0.00 0.00 179.01 176.76 1aqi h ILE 255 N 0.00 0.00 -0.87 3.13 -0.00 -1.33 -3.36 117.51 115.07 1aqi h ILE 255 Ca -0.00 -0.79 -0.56 0.00 -0.00 0.00 0.00 64.86 63.51 1aqi h ILE 255 Cb 0.96 1.34 -0.26 0.00 -0.00 0.00 0.00 36.82 38.85 1aqi h ILE 255 CO 0.06 0.00 0.72 -1.54 -0.00 0.00 0.00 178.15 177.39 1aqi n SER 256 N -2.46 6.44 -3.65 2.16 3.41 -1.02 -4.94 113.62 113.57 1aqi n SER 256 Ca 0.01 -3.56 0.01 0.00 -0.26 0.00 0.00 58.87 55.07 1aqi n SER 256 Cb 0.50 -0.95 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 1aqi n SER 256 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1aqi s GLY 257 N -1.26 -0.27 -0.07 5.00 0.00 -1.26 -4.33 107.32 105.13 1aqi s GLY 257 Ca 0.55 0.36 -0.03 0.00 0.00 0.00 0.00 44.72 45.60 1aqi s GLY 257 CO 0.02 1.46 0.07 1.06 0.00 0.00 0.00 173.10 175.71 1aqi s MET 258 N -2.44 3.17 0.34 2.90 -1.94 -0.54 -4.79 119.30 116.00 1aqi s MET 258 Ca 0.18 -0.33 -0.28 0.00 -1.71 0.00 0.00 55.69 53.55 1aqi s MET 258 Cb 0.02 -2.95 -0.10 0.00 2.01 0.00 0.00 34.83 33.81 1aqi s MET 258 CO -0.01 0.71 1.23 -1.25 -0.01 0.00 0.00 175.02 175.69 1aqi s PRO 259 N -1.18 4.35 0.30 2.03 0.04 -1.26 0.36 135.00 139.64 1aqi s PRO 259 Ca 0.17 2.03 0.06 0.00 0.04 0.00 0.00 61.00 63.30 1aqi s PRO 259 Cb -0.12 -3.01 0.81 0.00 0.04 0.00 0.00 34.50 32.23 1aqi s PRO 259 CO 0.06 -0.13 1.68 1.25 0.04 0.00 0.00 177.00 179.90 1aqi h LEU 260 N 3.31 0.31 0.00 -3.56 5.85 -0.17 -0.19 115.31 120.86 1aqi h LEU 260 Ca -0.48 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1aqi h LEU 260 Cb 1.23 0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.42 1aqi h LEU 260 CO 0.65 -0.06 0.00 0.61 -0.34 0.00 0.00 178.44 179.30 1aqi n GLY 261 N -1.34 -0.47 0.08 3.75 0.00 -0.56 -1.30 105.19 105.35 1aqi n GLY 261 Ca 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1aqi n GLY 261 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1aqi n ASP 262 N -1.30 0.46 0.01 1.61 9.92 -0.08 -4.38 116.55 122.79 1aqi n ASP 262 Ca 0.02 0.20 0.07 0.00 -0.53 0.00 0.00 54.79 54.55 1aqi n ASP 262 Cb 0.04 0.77 -0.12 0.00 -0.64 0.00 0.00 41.12 41.17 1aqi n ASP 262 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1aqi n LEU 263 N -2.71 0.29 -4.30 0.64 4.77 -0.42 -4.87 117.00 110.41 1aqi n LEU 263 Ca -0.14 0.12 -0.16 0.00 -0.03 0.00 0.00 56.01 55.80 1aqi n LEU 263 Cb 0.85 0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.91 1aqi n LEU 263 CO 0.43 0.05 -0.41 -0.36 -1.33 0.00 0.00 177.39 175.78 1aqi s PHE 264 N -3.26 1.46 -0.16 -1.77 0.08 -0.85 -0.65 117.98 112.83 1aqi s PHE 264 Ca -0.06 -0.72 -0.08 0.00 0.12 0.00 0.00 56.93 56.19 1aqi s PHE 264 Cb 0.11 -0.74 -0.04 0.00 -0.57 0.00 0.00 43.02 41.78 1aqi s PHE 264 CO 0.86 0.16 0.12 -1.01 -0.10 0.00 0.00 175.22 175.26 1aqi s HIS 265 N -3.22 3.47 -0.37 0.36 3.76 0.35 -4.72 115.29 114.91 1aqi s HIS 265 Ca 0.20 0.39 -0.10 0.00 -0.15 0.00 0.00 55.06 55.41 1aqi s HIS 265 Cb 0.02 -2.04 0.04 0.00 1.11 0.00 0.00 32.58 31.71 1aqi s HIS 265 CO 0.04 0.48 0.19 0.42 -0.85 0.00 0.00 174.74 175.02 1aqi s ILE 266 N -0.30 4.34 0.25 0.60 1.01 -1.26 -1.29 121.20 124.55 1aqi s ILE 266 Ca 0.11 -1.01 0.07 0.00 0.00 0.00 0.00 60.65 59.82 1aqi s ILE 266 Cb -0.12 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 38.85 1aqi s ILE 266 CO 0.01 -0.27 0.22 -0.13 0.00 0.00 0.00 174.94 174.77 1aqi s ARG 267 N 1.50 3.02 0.08 2.79 1.81 0.41 -4.94 118.95 123.62 1aqi s ARG 267 Ca 0.01 -0.99 0.06 0.00 -1.72 0.00 0.00 55.73 53.08 1aqi s ARG 267 Cb -0.20 -2.63 -0.04 0.00 -0.45 0.00 0.00 34.95 31.64 1aqi s ARG 267 CO 0.05 0.41 -0.05 -0.06 -0.68 0.00 0.00 175.30 174.97 1aqi s PHE 268 N -2.09 2.87 0.76 -0.53 0.40 -1.26 -1.56 117.98 116.56 1aqi s PHE 268 Ca 0.33 -0.08 -0.09 0.00 -0.60 0.00 0.00 56.93 56.48 1aqi s PHE 268 Cb -0.08 -1.50 0.07 0.00 0.51 0.00 0.00 43.02 42.01 1aqi s PHE 268 CO 0.26 0.44 1.10 0.00 0.70 0.00 0.00 175.22 177.72 1aqi s ALA 269 N -1.23 2.90 0.41 5.36 0.00 -1.26 -4.98 121.76 122.96 1aqi s ALA 269 Ca 0.23 -0.76 -0.11 0.00 0.00 0.00 0.00 51.96 51.31 1aqi s ALA 269 Cb -0.11 -2.79 -0.07 0.00 0.00 0.00 0.00 23.12 20.15 1aqi s ALA 269 CO 0.15 -1.48 0.79 0.00 0.00 0.00 0.00 175.76 175.23 1aqi s ALA 270 N -3.41 3.31 0.64 0.00 0.00 -1.26 -4.92 121.76 116.12 1aqi s ALA 270 Ca 0.61 -0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.45 1aqi s ALA 270 Cb -0.11 -2.76 0.09 0.00 0.00 0.00 0.00 23.12 20.35 1aqi s ALA 270 CO 0.47 -0.01 0.88 1.03 0.00 0.00 0.00 175.76 178.13 1aqi s ARG 271 N -3.82 2.06 0.21 0.00 1.81 -1.26 -4.45 118.95 113.51 1aqi s ARG 271 Ca 0.52 -1.12 -0.09 0.00 -1.72 0.00 0.00 55.73 53.32 1aqi s ARG 271 Cb -0.10 -2.45 0.26 0.00 -0.45 0.00 0.00 34.95 32.21 1aqi s ARG 271 CO 0.30 -1.10 1.79 0.77 -0.68 0.00 0.00 175.30 176.38 1aqi h SER 272 N -0.20 0.47 -0.44 0.23 0.02 -1.98 -2.29 113.55 109.36 1aqi h SER 272 Ca -0.37 0.04 0.07 0.00 -0.84 0.00 0.00 61.79 60.69 1aqi h SER 272 Cb 1.28 -0.04 -0.06 0.00 0.14 0.00 0.00 62.40 63.72 1aqi h SER 272 CO 0.44 0.29 0.10 -0.65 -1.14 0.00 0.00 176.83 175.87 1aqi h PRO 273 N 0.61 0.24 -0.87 3.45 0.11 -1.98 0.58 132.00 134.14 1aqi h PRO 273 Ca 0.30 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.47 1aqi h PRO 273 Cb 0.25 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 31.24 1aqi h PRO 273 CO -0.22 0.16 0.53 0.93 -0.21 0.00 0.00 178.00 179.20 1aqi h GLU 274 N 0.24 0.92 -0.23 1.05 5.08 -1.82 0.42 114.58 120.25 1aqi h GLU 274 Ca 0.21 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.46 1aqi h GLU 274 Cb 0.25 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1aqi h GLU 274 CO -0.26 0.61 -0.08 0.74 -1.00 0.00 0.00 179.01 179.02 1aqi h PHE 275 N 0.95 0.52 0.00 4.33 0.04 -0.71 -3.13 116.94 118.94 1aqi h PHE 275 Ca 0.39 -0.12 -0.02 0.00 2.80 0.00 0.00 57.97 61.02 1aqi h PHE 275 Cb 0.23 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 38.25 1aqi h PHE 275 CO -0.03 0.71 -0.12 0.87 -0.60 0.00 0.00 178.31 179.14 1aqi h LYS 276 N 0.18 0.00 -0.10 1.51 1.57 0.11 -1.12 116.57 118.73 1aqi h LYS 276 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1aqi h LYS 276 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1aqi h LYS 276 CO 0.03 0.12 0.00 1.63 -0.57 0.00 0.00 179.45 180.65 1aqi n LYS 277 N -3.67 1.59 -3.62 3.15 4.01 0.04 -4.83 118.16 114.83 1aqi n LYS 277 Ca -0.02 -0.88 -0.38 0.00 -0.51 0.00 0.00 58.31 56.53 1aqi n LYS 277 Cb 0.23 -1.41 -0.11 0.00 -0.51 0.00 0.00 35.03 33.23 1aqi n LYS 277 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 1aqi s HIS 278 N -1.88 3.20 0.41 2.13 2.46 -0.42 -5.06 115.29 116.12 1aqi s HIS 278 Ca 0.34 -0.01 -0.25 0.00 0.47 0.00 0.00 55.06 55.61 1aqi s HIS 278 Cb 0.18 -2.36 -0.08 0.00 -0.13 0.00 0.00 32.58 30.19 1aqi s HIS 278 CO 0.28 -0.22 1.23 -1.25 -2.47 0.00 0.00 174.74 172.32 1aqi s PRO 279 N 1.73 3.95 0.00 2.88 0.04 -1.26 -1.90 135.00 140.44 1aqi s PRO 279 Ca 0.07 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1aqi s PRO 279 Cb -0.16 -2.67 0.00 0.00 0.04 0.00 0.00 34.50 31.71 1aqi s PRO 279 CO 0.10 -0.45 0.00 0.00 0.04 0.00 0.00 177.00 176.69 1aqi n ALA 280 N 0.01 0.00 -2.65 8.56 0.00 -1.26 -5.04 120.51 120.13 1aqi n ALA 280 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.06 1aqi n ALA 280 Cb 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.88 1aqi n ALA 280 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1aqi s VAL 281 N -2.66 4.67 0.29 0.00 1.01 -0.80 -4.11 120.40 118.80 1aqi s VAL 281 Ca 0.00 1.87 0.03 0.00 0.00 0.00 0.00 61.98 63.88 1aqi s VAL 281 Cb 0.00 -4.30 0.03 0.00 0.00 0.00 0.00 36.38 32.11 1aqi s VAL 281 CO 0.00 -0.23 0.26 0.54 0.00 0.00 0.00 175.10 175.67 1aqi n ARG 282 N 6.39 1.00 0.00 2.72 5.12 0.19 -4.93 116.66 127.16 1aqi n ARG 282 Ca 0.11 -1.77 0.00 0.00 -1.93 0.00 0.00 57.85 54.26 1aqi n ARG 282 Cb 0.47 0.12 0.00 0.00 -1.16 0.00 0.00 32.46 31.88 1aqi n ARG 282 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1aqi n LYS 283 N -1.29 0.60 -4.19 5.56 5.02 -1.26 -2.11 118.16 120.49 1aqi n LYS 283 Ca 0.01 -0.19 -0.18 0.00 -2.02 0.00 0.00 58.31 55.93 1aqi n LYS 283 Cb 0.33 -0.62 -0.12 0.00 -0.02 0.00 0.00 35.03 34.59 1aqi n LYS 283 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1aqi s GLU 284 N -0.14 0.81 1.33 1.97 -6.30 -1.26 -4.83 118.70 110.28 1aqi s GLU 284 Ca 0.00 -0.90 -0.19 0.00 -2.50 0.00 0.00 54.97 51.38 1aqi s GLU 284 Cb 0.00 -0.79 0.33 0.00 0.00 0.00 0.00 34.13 33.67 1aqi s GLU 284 CO 0.00 0.18 0.85 -0.35 0.02 0.00 0.00 175.26 175.96 1aqi n PRO 285 N 1.42 -3.73 0.00 4.30 -0.04 -1.26 -4.88 135.00 130.81 1aqi n PRO 285 Ca -0.21 -1.09 0.00 0.00 -0.04 0.00 0.00 63.50 62.16 1aqi n PRO 285 Cb 0.54 -1.97 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 1aqi n PRO 285 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1aqi n GLY 286 N 1.62 1.05 3.72 0.55 0.00 -1.26 -5.07 105.19 105.80 1aqi n GLY 286 Ca 0.08 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 1aqi n GLY 286 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1aqi s PRO 287 N -2.00 4.24 0.00 1.61 0.02 -1.26 -2.66 135.00 134.96 1aqi s PRO 287 Ca 0.00 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.30 1aqi s PRO 287 Cb 0.00 -3.18 0.00 0.00 0.02 0.00 0.00 34.50 31.34 1aqi s PRO 287 CO 0.00 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.52 1aqi n GLY 288 N 3.64 0.58 3.43 0.52 0.00 -1.26 -5.03 105.19 107.07 1aqi n GLY 288 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1aqi n GLY 288 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aqi s LEU 289 N 0.00 2.88 0.16 0.99 1.43 -1.09 -3.98 118.68 119.08 1aqi s LEU 289 Ca 0.00 -0.24 0.07 0.00 -1.03 0.00 0.00 54.13 52.93 1aqi s LEU 289 Cb 0.00 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 1aqi s LEU 289 CO 0.00 0.21 -0.02 0.68 0.23 0.00 0.00 176.35 177.45 1aqi s VAL 290 N 0.11 3.67 0.41 -1.59 -7.23 0.67 -4.72 120.40 111.71 1aqi s VAL 290 Ca -0.05 -1.40 -0.23 0.00 -1.81 0.00 0.00 61.98 58.49 1aqi s VAL 290 Cb -0.14 -2.83 -0.10 0.00 0.56 0.00 0.00 36.38 33.87 1aqi s VAL 290 CO 0.04 -0.08 1.00 -2.16 -0.31 0.00 0.00 175.10 173.59 1aqi s PRO 291 N -2.83 4.20 -0.45 4.82 0.04 -1.26 -1.60 135.00 137.91 1aqi s PRO 291 Ca 0.27 1.34 -0.29 0.00 0.04 0.00 0.00 61.00 62.35 1aqi s PRO 291 Cb -0.10 -2.41 0.03 0.00 0.04 0.00 0.00 34.50 32.06 1aqi s PRO 291 CO 0.18 -0.08 1.12 0.08 0.04 0.00 0.00 177.00 178.34 1aqi s VAL 292 N -1.85 4.27 0.52 -0.36 1.01 -1.03 -4.62 120.40 118.33 1aqi s VAL 292 Ca 0.59 1.32 -0.20 0.00 0.00 0.00 0.00 61.98 63.68 1aqi s VAL 292 Cb -0.17 -4.57 -0.06 0.00 0.00 0.00 0.00 36.38 31.58 1aqi s VAL 292 CO 0.21 -0.91 1.14 -0.76 0.00 0.00 0.00 175.10 174.78 1aqi s LEU 293 N 4.30 3.83 0.00 3.92 1.43 -0.41 -4.36 118.68 127.39 1aqi s LEU 293 Ca 0.47 2.21 0.02 0.00 -1.03 0.00 0.00 54.13 55.80 1aqi s LEU 293 Cb -0.08 -4.48 -0.01 0.00 0.03 0.00 0.00 46.19 41.65 1aqi s LEU 293 CO 0.29 -1.12 0.08 0.35 0.23 0.00 0.00 176.35 176.18 1aqi n THR 294 N -1.05 0.00 0.23 5.49 -2.24 -1.26 -1.35 114.28 114.10 1aqi n THR 294 Ca 0.10 -1.23 0.15 0.00 -2.27 0.00 0.00 64.05 60.80 1aqi n THR 294 Cb 0.50 0.45 0.81 0.00 -2.10 0.00 0.00 70.33 69.99 1aqi n THR 294 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1aqi h GLY 295 N 0.85 0.00 1.77 3.38 0.00 -1.95 -0.84 103.07 106.28 1aqi h GLY 295 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1aqi h GLY 295 CO 0.26 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.34 1aqi n ARG 296 N -4.02 0.19 0.11 4.80 1.74 -1.26 -2.38 116.66 115.84 1aqi n ARG 296 Ca -0.00 0.06 0.12 0.00 -0.77 0.00 0.00 57.85 57.25 1aqi n ARG 296 Cb 0.21 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 1aqi n ARG 296 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 1aqi h ASN 297 N 0.00 0.00 -3.40 0.55 4.21 -1.43 -3.46 115.58 112.04 1aqi h ASN 297 Ca 0.00 -0.00 -0.60 0.00 1.21 0.00 0.00 56.30 56.90 1aqi h ASN 297 Cb 0.33 0.00 -0.10 0.00 -1.12 0.00 0.00 38.32 37.43 1aqi h ASN 297 CO 0.00 0.00 0.39 -0.22 -1.29 0.00 0.00 177.43 176.31 1aqi s LEU 298 N -5.37 4.08 0.30 1.61 2.96 -1.00 0.70 118.68 121.96 1aqi s LEU 298 Ca -0.00 0.76 0.10 0.00 -0.22 0.00 0.00 54.13 54.76 1aqi s LEU 298 Cb 0.09 -3.08 -0.05 0.00 0.50 0.00 0.00 46.19 43.66 1aqi s LEU 298 CO 0.79 -0.56 -0.05 -0.54 -1.32 0.00 0.00 176.35 174.67 1aqi s LYS 299 N 2.88 2.06 -0.52 1.98 3.01 0.65 -4.99 119.74 124.82 1aqi s LYS 299 Ca 0.32 -1.63 -0.27 0.00 -1.01 0.00 0.00 55.97 53.38 1aqi s LYS 299 Cb -0.15 -1.98 -0.02 0.00 -1.01 0.00 0.00 37.83 34.68 1aqi s LYS 299 CO 0.11 0.27 1.81 -1.25 0.51 0.00 0.00 175.35 176.79 1aqi s PRO 300 N -3.65 2.90 0.00 -1.68 0.04 -1.26 -2.27 135.00 129.08 1aqi s PRO 300 Ca 0.32 0.86 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1aqi s PRO 300 Cb -0.04 -4.31 0.00 0.00 0.04 0.00 0.00 34.50 30.20 1aqi s PRO 300 CO 0.18 -2.39 0.00 0.41 0.04 0.00 0.00 177.00 175.24 1aqi n GLY 301 N 5.57 0.29 3.65 0.56 0.00 -0.16 -4.98 105.19 110.13 1aqi n GLY 301 Ca 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.16 1aqi n GLY 301 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1aqi s TRP 302 N -2.00 -0.28 -0.08 1.61 1.48 -0.96 -4.78 118.94 113.94 1aqi s TRP 302 Ca 0.00 -0.01 0.03 0.00 -1.06 0.00 0.00 56.10 55.07 1aqi s TRP 302 Cb 0.00 0.62 -0.02 0.00 -1.16 0.00 0.00 33.47 32.91 1aqi s TRP 302 CO 0.00 -0.86 -0.17 0.08 -4.06 0.00 0.00 176.95 171.94 1aqi s VAL 303 N -3.49 2.77 -0.64 -0.66 1.01 -1.26 -0.25 120.40 117.89 1aqi s VAL 303 Ca 0.08 -0.80 -0.18 0.00 0.00 0.00 0.00 61.98 61.08 1aqi s VAL 303 Cb -0.02 -2.09 0.12 0.00 0.00 0.00 0.00 36.38 34.38 1aqi s VAL 303 CO -0.02 0.56 0.74 -0.62 0.00 0.00 0.00 175.10 175.76 1aqi s ASP 304 N -0.22 6.27 0.00 3.32 2.15 0.22 -4.88 116.67 123.52 1aqi s ASP 304 Ca -0.00 -1.61 0.30 0.00 0.43 0.00 0.00 52.55 51.68 1aqi s ASP 304 Cb -0.13 -2.30 1.56 0.00 -0.30 0.00 0.00 42.92 41.75 1aqi s ASP 304 CO 0.03 -1.06 2.05 -1.22 -0.17 0.00 0.00 175.17 174.81 1aqi n TYR 305 N 6.11 0.00 0.02 -5.34 4.01 -1.26 -4.34 117.16 116.36 1aqi n TYR 305 Ca -0.05 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.67 1aqi n TYR 305 Cb 0.43 -0.16 -0.01 0.00 -0.31 0.00 0.00 39.34 39.29 1aqi n TYR 305 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1aqi h GLU 306 N 0.22 -0.10 -6.76 -0.72 4.39 -1.97 -3.46 114.58 106.17 1aqi h GLU 306 Ca 0.00 0.01 -0.52 0.00 0.34 0.00 0.00 59.36 59.18 1aqi h GLU 306 Cb 0.22 0.02 0.05 0.00 -0.10 0.00 0.00 28.75 28.94 1aqi h GLU 306 CO 0.00 -0.07 0.68 0.15 -1.16 0.00 0.00 179.01 178.61 1aqi s LYS 307 N -1.77 4.35 -0.23 2.33 3.01 -1.26 -5.01 119.74 121.15 1aqi s LYS 307 Ca -0.02 2.17 -0.08 0.00 -1.01 0.00 0.00 55.97 57.04 1aqi s LYS 307 Cb 0.00 -3.13 -0.04 0.00 -1.01 0.00 0.00 37.83 33.65 1aqi s LYS 307 CO 0.05 -0.27 0.09 1.21 0.51 0.00 0.00 175.35 176.94 1aqi s ASN 308 N 0.07 5.54 0.00 2.83 3.84 -1.26 -4.93 114.94 121.04 1aqi s ASN 308 Ca 0.55 -0.04 0.01 0.00 0.21 0.00 0.00 52.86 53.59 1aqi s ASN 308 Cb -0.39 -1.99 0.02 0.00 -0.55 0.00 0.00 41.25 38.34 1aqi s ASN 308 CO 0.44 0.05 0.69 1.41 -2.79 0.00 0.00 177.10 176.90 1aqi n HIS 309 N 4.38 0.01 -0.07 0.43 8.25 -1.26 -4.70 115.22 122.26 1aqi n HIS 309 Ca -0.16 -0.15 -0.07 0.00 -0.26 0.00 0.00 57.72 57.08 1aqi n HIS 309 Cb 0.52 -0.01 -0.10 0.00 1.12 0.00 0.00 29.99 31.51 1aqi n HIS 309 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1aqi n SER 310 N -0.08 1.86 0.00 0.41 3.41 -1.26 -5.01 113.62 112.95 1aqi n SER 310 Ca 0.01 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1aqi n SER 310 Cb 0.10 0.71 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 1aqi n SER 310 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1aqi n GLY 311 N 2.24 0.45 3.27 5.00 0.00 -1.26 -5.04 105.19 109.86 1aqi n GLY 311 Ca -0.22 -0.78 -0.25 0.00 0.00 0.00 0.00 46.02 44.77 1aqi n GLY 311 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aqi s LEU 312 N 0.00 2.24 0.05 0.99 1.43 -1.26 -4.61 118.68 117.52 1aqi s LEU 312 Ca 0.00 -0.61 -0.03 0.00 -1.03 0.00 0.00 54.13 52.46 1aqi s LEU 312 Cb 0.00 -0.93 -0.03 0.00 0.03 0.00 0.00 46.19 45.27 1aqi s LEU 312 CO 0.00 0.11 0.02 0.26 0.23 0.00 0.00 176.35 176.96 1aqi s TRP 313 N -1.00 0.38 -0.02 0.29 0.52 -0.90 -2.48 118.94 115.74 1aqi s TRP 313 Ca 0.07 -0.83 -0.29 0.00 0.02 0.00 0.00 56.10 55.07 1aqi s TRP 313 Cb -0.09 -0.28 0.11 0.00 -1.15 0.00 0.00 33.47 32.05 1aqi s TRP 313 CO 0.03 -0.37 0.91 0.00 0.02 0.00 0.00 176.95 177.54 1aqi s MET 314 N -3.29 0.78 -0.05 4.98 0.23 -0.63 0.57 119.30 121.90 1aqi s MET 314 Ca 0.01 -0.27 -0.30 0.00 -1.03 0.00 0.00 55.69 54.10 1aqi s MET 314 Cb 0.03 0.36 -0.05 0.00 -1.53 0.00 0.00 34.83 33.65 1aqi s MET 314 CO -0.08 -0.34 1.44 -1.25 -2.03 0.00 0.00 175.02 172.76 1aqi s PRO 315 N -2.99 4.25 0.26 3.16 0.04 -1.26 -0.24 135.00 138.23 1aqi s PRO 315 Ca 0.05 1.96 -0.09 0.00 0.04 0.00 0.00 61.00 62.96 1aqi s PRO 315 Cb -0.01 -3.72 0.43 0.00 0.04 0.00 0.00 34.50 31.24 1aqi s PRO 315 CO -0.08 -0.67 1.58 -0.22 0.04 0.00 0.00 177.00 177.65 1aqi h LYS 316 N 8.34 0.01 -0.02 4.56 3.64 -1.91 -0.48 116.57 130.71 1aqi h LYS 316 Ca -0.36 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1aqi h LYS 316 Cb 1.16 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1aqi h LYS 316 CO 0.93 0.00 0.04 1.05 -2.27 0.00 0.00 179.45 179.21 1aqi h GLU 317 N 0.01 0.00 -0.07 1.90 9.09 -1.92 -1.63 114.58 121.96 1aqi h GLU 317 Ca 0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.85 1aqi h GLU 317 Cb 0.70 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.80 1aqi h GLU 317 CO -0.91 0.00 0.00 0.54 0.05 0.00 0.00 179.01 178.69 1aqi n ARG 318 N -3.37 1.81 -0.17 1.06 1.74 -0.19 -4.17 116.66 113.37 1aqi n ARG 318 Ca -0.03 -1.18 -0.09 0.00 -0.77 0.00 0.00 57.85 55.79 1aqi n ARG 318 Cb 0.12 -1.46 0.01 0.00 -1.02 0.00 0.00 32.46 30.10 1aqi n ARG 318 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1aqi h ALA 319 N 4.34 0.63 0.00 7.54 0.00 -1.35 -2.46 119.26 127.96 1aqi h ALA 319 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1aqi h ALA 319 Cb 0.59 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1aqi h ALA 319 CO 0.00 0.29 0.17 0.36 0.00 0.00 0.00 179.25 180.08 1aqi n LYS 320 N -4.51 0.11 0.24 0.00 2.85 -1.26 0.25 118.16 115.84 1aqi n LYS 320 Ca 0.01 0.60 0.15 0.00 -1.05 0.00 0.00 58.31 58.02 1aqi n LYS 320 Cb 0.20 -2.04 0.45 0.00 -0.65 0.00 0.00 35.03 32.99 1aqi n LYS 320 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1aqi h GLU 321 N 0.00 0.00 0.03 -1.58 5.08 -1.73 -3.15 114.58 113.23 1aqi h GLU 321 Ca 0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.03 1aqi h GLU 321 Cb 0.35 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 1aqi h GLU 321 CO 0.00 0.00 -1.82 1.28 -1.00 0.00 0.00 179.01 177.47 1aqi n LEU 322 N -3.00 2.19 -3.69 1.33 4.77 0.14 -4.93 117.00 113.81 1aqi n LEU 322 Ca 0.02 0.30 -0.13 0.00 -0.03 0.00 0.00 56.01 56.17 1aqi n LEU 322 Cb 0.40 -0.97 -0.13 0.00 -2.33 0.00 0.00 43.42 40.39 1aqi n LEU 322 CO 0.30 0.55 -0.11 -0.13 -1.33 0.00 0.00 177.39 176.67 1aqi s ARG 323 N -2.46 0.19 0.22 3.23 1.81 -1.12 -4.97 118.95 115.86 1aqi s ARG 323 Ca -0.30 0.67 -0.07 0.00 -1.72 0.00 0.00 55.73 54.31 1aqi s ARG 323 Cb 0.08 -0.05 0.28 0.00 -0.45 0.00 0.00 34.95 34.81 1aqi s ARG 323 CO 0.62 -0.23 1.83 0.38 -0.68 0.00 0.00 175.30 177.22 1aqi h ASP 324 N 7.76 0.69 0.00 0.23 3.04 -1.84 -1.71 116.42 124.59 1aqi h ASP 324 Ca -0.27 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.55 1aqi h ASP 324 Cb 1.14 -0.12 0.00 0.00 -1.04 0.00 0.00 39.33 39.31 1aqi h ASP 324 CO 0.24 0.45 0.00 2.22 -2.04 0.00 0.00 179.24 180.11 1aqi n PHE 325 N -4.70 0.00 0.25 4.15 1.16 -1.26 -1.08 117.46 115.97 1aqi n PHE 325 Ca 0.10 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.79 1aqi n PHE 325 Cb 0.17 -0.50 0.62 0.00 -1.61 0.00 0.00 39.48 38.17 1aqi n PHE 325 CO 0.00 0.00 0.00 1.88 -1.87 0.00 0.00 176.76 176.77 1aqi h TYR 326 N 0.00 0.00 -0.00 2.97 0.05 -1.64 -2.30 116.97 116.05 1aqi h TYR 326 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1aqi h TYR 326 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1aqi h TYR 326 CO 0.00 0.17 -0.05 0.00 -1.05 0.00 0.00 178.16 177.23 1aqi n ALA 327 N -2.28 2.69 -3.56 3.88 0.00 -0.24 -4.31 120.51 116.69 1aqi n ALA 327 Ca -0.01 -0.27 -0.32 0.00 0.00 0.00 0.00 53.44 52.83 1aqi n ALA 327 Cb 0.31 -1.37 -0.16 0.00 0.00 0.00 0.00 19.45 18.23 1aqi n ALA 327 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1aqi s THR 328 N -2.24 2.13 0.17 0.00 2.01 -0.87 -4.97 115.64 111.87 1aqi s THR 328 Ca 0.37 -0.96 -0.32 0.00 0.31 0.00 0.00 61.69 61.08 1aqi s THR 328 Cb 0.21 -1.85 -0.12 0.00 0.01 0.00 0.00 72.50 70.75 1aqi s THR 328 CO 0.41 0.55 1.73 -2.65 -0.69 0.00 0.00 174.62 173.97 1aqi n PRO 329 N 3.96 2.65 -4.08 4.92 -0.02 -1.26 -4.81 135.00 136.35 1aqi n PRO 329 Ca -0.20 0.96 -0.14 0.00 -2.02 0.00 0.00 63.50 62.10 1aqi n PRO 329 Cb 0.52 -2.80 -0.04 0.00 -0.02 0.00 0.00 33.50 31.15 1aqi n PRO 329 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1aqi s HIS 330 N 1.61 0.99 0.14 6.00 -3.43 -1.20 -4.95 115.29 114.46 1aqi s HIS 330 Ca 0.78 -1.24 -0.26 0.00 -0.80 0.00 0.00 55.06 53.54 1aqi s HIS 330 Cb -0.54 -0.06 -0.07 0.00 -1.43 0.00 0.00 32.58 30.48 1aqi s HIS 330 CO 0.35 -1.12 0.79 -1.17 -2.00 0.00 0.00 174.74 171.59 1aqi s LEU 331 N -3.22 4.56 -0.11 5.38 2.96 -1.22 0.59 118.68 127.63 1aqi s LEU 331 Ca 0.30 1.62 0.02 0.00 -0.22 0.00 0.00 54.13 55.85 1aqi s LEU 331 Cb -0.00 -3.31 0.01 0.00 0.50 0.00 0.00 46.19 43.39 1aqi s LEU 331 CO 0.19 0.15 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.53 1aqi s VAL 332 N -0.83 1.47 -0.03 1.68 1.01 0.92 -1.93 120.40 122.70 1aqi s VAL 332 Ca 0.37 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.80 1aqi s VAL 332 Cb -0.23 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 1aqi s VAL 332 CO 0.26 0.44 -0.24 -0.69 0.00 0.00 0.00 175.10 174.87 1aqi s VAL 333 N 1.00 2.24 0.30 2.92 1.01 -0.86 -1.69 120.40 125.33 1aqi s VAL 333 Ca -0.06 -1.04 -0.14 0.00 0.00 0.00 0.00 61.98 60.74 1aqi s VAL 333 Cb -0.15 -1.80 -0.09 0.00 0.00 0.00 0.00 36.38 34.35 1aqi s VAL 333 CO -0.02 0.58 0.70 0.00 0.00 0.00 0.00 175.10 176.36 1aqi s ALA 334 N -0.60 3.38 0.00 5.51 0.00 -0.92 -0.83 121.76 128.29 1aqi s ALA 334 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.02 1aqi s ALA 334 Cb -0.10 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.32 1aqi s ALA 334 CO -0.00 0.36 0.16 -2.39 0.00 0.00 0.00 175.76 173.89 1aqi n HIS 335 N -0.34 0.00 1.08 0.00 1.44 -1.26 -4.71 115.22 111.43 1aqi n HIS 335 Ca 0.03 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.85 1aqi n HIS 335 Cb 0.53 0.00 0.14 0.00 0.12 0.00 0.00 29.99 30.78 1aqi n HIS 335 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1aqi n THR 336 N -0.45 0.00 -0.99 0.61 -2.24 -1.26 -4.21 114.28 105.73 1aqi n THR 336 Ca 0.00 -0.14 -0.08 0.00 -2.27 0.00 0.00 64.05 61.56 1aqi n THR 336 Cb 0.02 0.79 0.29 0.00 -2.10 0.00 0.00 70.33 69.33 1aqi n THR 336 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1aqi n LYS 337 N -0.68 3.52 0.00 -0.78 5.02 -1.26 -5.06 118.16 118.92 1aqi n LYS 337 Ca 0.09 -2.99 0.00 0.00 -2.02 0.00 0.00 58.31 53.39 1aqi n LYS 337 Cb 0.39 -2.20 0.00 0.00 -0.02 0.00 0.00 35.03 33.20 1aqi n LYS 337 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1aqi n GLY 338 N -0.23 -1.71 3.07 0.72 0.00 -1.25 -4.47 105.19 101.32 1aqi n GLY 338 Ca 0.42 -1.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.42 1aqi n GLY 338 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1aqi n THR 339 N 0.00 4.69 -3.62 2.61 -1.04 -1.26 -1.27 114.28 114.40 1aqi n THR 339 Ca 0.00 -5.09 -0.12 0.00 -2.04 0.00 0.00 64.05 56.80 1aqi n THR 339 Cb 0.00 -2.32 -0.05 0.00 -1.82 0.00 0.00 70.33 66.14 1aqi n THR 339 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1aqi s ARG 340 N -0.68 1.02 -0.38 -2.82 1.70 -1.26 -4.74 118.95 111.79 1aqi s ARG 340 Ca 0.36 -0.45 -0.13 0.00 -0.47 0.00 0.00 55.73 55.04 1aqi s ARG 340 Cb 0.03 0.46 0.01 0.00 -0.57 0.00 0.00 34.95 34.88 1aqi s ARG 340 CO 0.03 -0.38 0.25 0.08 -1.08 0.00 0.00 175.30 174.20 1aqi s VAL 341 N -2.99 5.09 -0.25 4.99 1.01 -1.26 -4.83 120.40 122.16 1aqi s VAL 341 Ca -0.02 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 1aqi s VAL 341 Cb 0.00 -3.75 0.03 0.00 0.00 0.00 0.00 36.38 32.65 1aqi s VAL 341 CO -0.06 -0.18 -0.06 -0.69 0.00 0.00 0.00 175.10 174.10 1aqi s VAL 342 N 1.66 2.85 0.09 2.92 1.01 -1.26 -4.47 120.40 123.20 1aqi s VAL 342 Ca 0.05 -1.04 0.06 0.00 0.00 0.00 0.00 61.98 61.04 1aqi s VAL 342 Cb -0.18 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 1aqi s VAL 342 CO 0.09 0.19 -0.15 0.00 0.00 0.00 0.00 175.10 175.23 1aqi s ALA 343 N 1.32 1.35 0.00 5.51 0.00 -1.26 -2.16 121.76 126.51 1aqi s ALA 343 Ca -0.00 -1.11 -0.23 0.00 0.00 0.00 0.00 51.96 50.62 1aqi s ALA 343 Cb -0.17 -0.11 0.05 0.00 0.00 0.00 0.00 23.12 22.89 1aqi s ALA 343 CO -0.04 0.18 0.52 0.00 0.00 0.00 0.00 175.76 176.42 1aqi s ALA 344 N -1.46 -1.34 -0.30 0.00 0.00 -0.68 -0.98 121.76 116.99 1aqi s ALA 344 Ca 0.02 0.76 -0.13 0.00 0.00 0.00 0.00 51.96 52.61 1aqi s ALA 344 Cb -0.09 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 1aqi s ALA 344 CO 0.03 -0.41 0.28 -0.46 0.00 0.00 0.00 175.76 175.20 1aqi s TRP 345 N -1.80 3.23 -1.25 0.00 -0.11 -1.26 -0.05 118.94 117.70 1aqi s TRP 345 Ca -0.09 0.10 -0.19 0.00 1.22 0.00 0.00 56.10 57.14 1aqi s TRP 345 Cb -0.01 -2.50 0.07 0.00 -1.50 0.00 0.00 33.47 29.53 1aqi s TRP 345 CO 0.03 -0.27 1.68 0.34 -4.62 0.00 0.00 176.95 174.12 1aqi s ASP 346 N 1.72 6.79 0.58 5.86 2.15 0.20 -4.81 116.67 129.16 1aqi s ASP 346 Ca 0.10 -2.29 0.32 0.00 0.43 0.00 0.00 52.55 51.11 1aqi s ASP 346 Cb -0.16 -2.57 1.79 0.00 -0.30 0.00 0.00 42.92 41.67 1aqi s ASP 346 CO 0.11 -1.22 2.20 1.05 -0.17 0.00 0.00 175.17 177.14 1aqi h GLU 347 N 7.95 0.00 0.00 4.34 4.11 -1.94 -2.85 114.58 126.19 1aqi h GLU 347 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.83 1aqi h GLU 347 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1aqi h GLU 347 CO 1.45 0.04 -1.28 0.54 0.07 0.00 0.00 179.01 179.83 1aqi n ARG 348 N -3.60 0.22 -2.88 1.06 1.74 -1.26 -4.81 116.66 107.14 1aqi n ARG 348 Ca -0.02 -0.06 -0.01 0.00 -0.77 0.00 0.00 57.85 56.98 1aqi n ARG 348 Cb 0.15 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 1aqi n ARG 348 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1aqi n ALA 349 N -1.76 -2.52 -2.48 7.54 0.00 -1.08 -4.93 120.51 115.28 1aqi n ALA 349 Ca 0.01 0.21 -0.19 0.00 0.00 0.00 0.00 53.44 53.47 1aqi n ALA 349 Cb 0.41 -1.76 -0.00 0.00 0.00 0.00 0.00 19.45 18.09 1aqi n ALA 349 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1aqi s TYR 350 N -2.90 3.13 0.32 0.00 1.51 -1.26 -4.74 117.35 113.41 1aqi s TYR 350 Ca 0.04 -0.21 -0.27 0.00 -1.01 0.00 0.00 57.07 55.63 1aqi s TYR 350 Cb -0.01 -1.99 -0.09 0.00 -0.11 0.00 0.00 41.96 39.76 1aqi s TYR 350 CO 0.68 -0.00 1.03 -1.25 -1.11 0.00 0.00 175.55 174.90 1aqi s PRO 351 N -4.17 4.50 0.12 -1.71 0.04 -1.26 -4.92 135.00 127.60 1aqi s PRO 351 Ca 0.45 1.57 0.09 0.00 0.04 0.00 0.00 61.00 63.15 1aqi s PRO 351 Cb -0.10 -2.91 -0.04 0.00 0.04 0.00 0.00 34.50 31.49 1aqi s PRO 351 CO 0.31 0.15 -0.22 -1.58 0.04 0.00 0.00 177.00 175.71 1aqi s TRP 352 N -1.41 1.90 -1.01 0.56 0.52 -1.26 -1.28 118.94 116.95 1aqi s TRP 352 Ca 0.49 -0.42 0.17 0.00 0.02 0.00 0.00 56.10 56.37 1aqi s TRP 352 Cb -0.25 -1.02 -0.14 0.00 -1.15 0.00 0.00 33.47 30.91 1aqi s TRP 352 CO 0.32 0.26 0.77 -2.13 0.02 0.00 0.00 176.95 176.19 1aqi n ARG 353 N 0.92 1.44 -1.84 4.98 0.63 -0.46 -4.25 116.66 118.09 1aqi n ARG 353 Ca -0.18 -0.22 -0.02 0.00 -0.92 0.00 0.00 57.85 56.51 1aqi n ARG 353 Cb 0.54 -1.31 0.01 0.00 0.45 0.00 0.00 32.46 32.15 1aqi n ARG 353 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1aqi n GLU 354 N -1.07 0.27 0.00 -0.14 0.28 -1.26 -4.53 120.64 114.20 1aqi n GLU 354 Ca 0.04 -0.55 0.00 0.00 -0.16 0.00 0.00 57.16 56.50 1aqi n GLU 354 Cb 0.29 0.70 0.00 0.00 1.43 0.00 0.00 31.44 33.86 1aqi n GLU 354 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1aqi n GLU 355 N -0.16 0.00 -3.35 3.44 -0.58 -1.26 -4.78 120.64 113.94 1aqi n GLU 355 Ca -0.02 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.34 1aqi n GLU 355 Cb 0.16 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 30.97 1aqi n GLU 355 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1aqi s PHE 356 N -1.68 3.69 -0.23 -0.32 0.08 -0.01 -4.21 117.98 115.29 1aqi s PHE 356 Ca 0.00 1.07 0.02 0.00 0.12 0.00 0.00 56.93 58.14 1aqi s PHE 356 Cb 0.00 -2.46 0.05 0.00 -0.57 0.00 0.00 43.02 40.04 1aqi s PHE 356 CO 0.00 0.47 -0.14 -1.01 -0.10 0.00 0.00 175.22 174.44 1aqi s HIS 357 N -0.52 3.12 -0.29 0.36 3.76 -0.60 -2.02 115.29 119.09 1aqi s HIS 357 Ca 0.27 -2.12 -0.13 0.00 -0.15 0.00 0.00 55.06 52.93 1aqi s HIS 357 Cb -0.17 -1.93 -0.04 0.00 1.11 0.00 0.00 32.58 31.56 1aqi s HIS 357 CO 0.15 -0.86 0.28 -0.51 -0.85 0.00 0.00 174.74 172.95 1aqi s LEU 358 N 1.16 4.16 -0.19 0.89 1.02 -0.81 -0.44 118.68 124.46 1aqi s LEU 358 Ca -0.05 -0.00 -0.03 0.00 0.02 0.00 0.00 54.13 54.07 1aqi s LEU 358 Cb -0.18 -2.26 -0.01 0.00 0.02 0.00 0.00 46.19 43.76 1aqi s LEU 358 CO -0.08 -0.16 -0.06 -0.76 0.02 0.00 0.00 176.35 175.31 1aqi s LEU 359 N 1.90 2.91 0.47 1.79 2.01 -0.41 -3.43 118.68 123.92 1aqi s LEU 359 Ca 0.10 -0.34 -0.25 0.00 0.01 0.00 0.00 54.13 53.66 1aqi s LEU 359 Cb -0.16 -1.72 -0.08 0.00 0.01 0.00 0.00 46.19 44.24 1aqi s LEU 359 CO 0.11 0.04 1.40 -2.16 1.01 0.00 0.00 176.35 176.75 1aqi s PRO 360 N 1.09 3.59 0.62 1.29 0.04 -1.26 0.13 135.00 140.49 1aqi s PRO 360 Ca 0.01 2.35 -0.15 0.00 0.04 0.00 0.00 61.00 63.26 1aqi s PRO 360 Cb -0.15 -2.57 -0.03 0.00 0.04 0.00 0.00 34.50 31.79 1aqi s PRO 360 CO -0.01 -0.87 1.06 0.15 0.04 0.00 0.00 177.00 177.37 1aqi s LYS 361 N -2.54 3.21 0.27 4.56 1.02 0.17 -4.73 119.74 121.70 1aqi s LYS 361 Ca 0.63 1.16 -0.30 0.00 0.02 0.00 0.00 55.97 57.48 1aqi s LYS 361 Cb -0.42 -2.02 -0.11 0.00 -0.52 0.00 0.00 37.83 34.76 1aqi s LYS 361 CO 0.54 -0.89 1.57 -1.21 -0.92 0.00 0.00 175.35 174.44 1aqi s GLU 362 N -4.26 4.16 0.00 1.68 0.41 -1.26 -1.80 118.70 117.62 1aqi s GLU 362 Ca 0.63 2.51 0.00 0.00 -0.41 0.00 0.00 54.97 57.69 1aqi s GLU 362 Cb -0.16 -3.06 0.00 0.00 -1.78 0.00 0.00 34.13 29.14 1aqi s GLU 362 CO 0.41 -0.60 0.00 0.41 -0.49 0.00 0.00 175.26 174.99 1aqi n GLY 363 N 2.46 0.97 3.68 -1.39 0.00 -1.26 -4.90 105.19 104.74 1aqi n GLY 363 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1aqi n GLY 363 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aqi s VAL 364 N -2.28 4.94 -0.11 1.61 1.01 -0.75 0.13 120.40 124.95 1aqi s VAL 364 Ca 0.00 1.51 0.04 0.00 0.00 0.00 0.00 61.98 63.53 1aqi s VAL 364 Cb 0.00 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1aqi s VAL 364 CO 0.00 0.09 -0.23 -0.13 0.00 0.00 0.00 175.10 174.82 1aqi s ARG 365 N 1.85 3.00 0.15 2.72 0.52 -0.57 -4.86 118.95 121.75 1aqi s ARG 365 Ca 0.36 -0.86 0.01 0.00 -0.52 0.00 0.00 55.73 54.72 1aqi s ARG 365 Cb -0.17 -2.29 -0.04 0.00 0.52 0.00 0.00 34.95 32.97 1aqi s ARG 365 CO 0.13 0.14 0.01 -0.48 0.02 0.00 0.00 175.30 175.12 1aqi s LEU 366 N 0.43 2.08 -0.49 2.53 2.34 -1.26 -1.88 118.68 122.43 1aqi s LEU 366 Ca -0.17 -1.16 -0.05 0.00 0.06 0.00 0.00 54.13 52.81 1aqi s LEU 366 Cb -0.18 0.05 0.13 0.00 -0.56 0.00 0.00 46.19 45.63 1aqi s LEU 366 CO 0.07 -0.60 0.32 -0.62 -1.06 0.00 0.00 176.35 174.46 1aqi s ASP 367 N -3.12 5.47 0.18 1.48 2.15 0.10 -4.98 116.67 117.95 1aqi s ASP 367 Ca 0.22 -2.19 -0.23 0.00 0.43 0.00 0.00 52.55 50.78 1aqi s ASP 367 Cb 0.06 -1.91 0.10 0.00 -0.30 0.00 0.00 42.92 40.87 1aqi s ASP 367 CO 0.02 -0.56 1.57 -0.65 -0.17 0.00 0.00 175.17 175.38 1aqi h PRO 368 N 7.96 -0.16 -0.55 4.34 0.11 -1.99 0.21 132.00 141.91 1aqi h PRO 368 Ca -0.12 0.01 0.10 0.00 0.11 0.00 0.00 66.00 66.10 1aqi h PRO 368 Cb 1.04 0.04 -0.08 0.00 0.11 0.00 0.00 31.00 32.10 1aqi h PRO 368 CO 0.76 -0.11 0.11 0.77 -0.21 0.00 0.00 178.00 179.32 1aqi h SER 369 N -0.17 -0.00 0.85 -2.05 0.02 -1.98 0.91 113.55 111.13 1aqi h SER 369 Ca 0.22 0.10 -0.24 0.00 -0.84 0.00 0.00 61.79 61.04 1aqi h SER 369 Cb 0.56 0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 1aqi h SER 369 CO -0.72 0.02 -1.15 0.71 -1.14 0.00 0.00 176.83 174.55 1aqi h THR 370 N 0.25 1.56 0.03 -2.27 1.35 -1.87 -2.29 112.91 109.66 1aqi h THR 370 Ca 0.28 -3.25 -0.00 0.00 -0.55 0.00 0.00 66.41 62.89 1aqi h THR 370 Cb 0.40 2.82 0.00 0.00 -1.73 0.00 0.00 68.15 69.64 1aqi h THR 370 CO -0.37 0.91 -0.02 0.25 -0.25 0.00 0.00 175.52 176.04 1aqi h LEU 371 N 0.02 -0.04 -0.16 3.87 5.85 -0.45 -1.24 115.31 123.16 1aqi h LEU 371 Ca -0.07 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.64 1aqi h LEU 371 Cb 1.85 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.85 1aqi h LEU 371 CO 0.14 0.02 -0.05 0.58 -0.34 0.00 0.00 178.44 178.79 1aqi h VAL 372 N -0.09 0.80 -0.85 1.05 2.07 -0.86 -0.89 116.25 117.48 1aqi h VAL 372 Ca -0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 1aqi h VAL 372 Cb 0.08 0.80 -0.08 0.00 -1.52 0.00 0.00 31.29 30.57 1aqi h VAL 372 CO 0.01 0.00 0.47 -0.61 0.02 0.00 0.00 177.57 177.46 1aqi h GLN 373 N -0.02 0.71 0.41 1.57 -0.00 -1.26 -2.15 115.11 114.36 1aqi h GLN 373 Ca 0.08 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.65 58.67 1aqi h GLN 373 Cb 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 27.48 27.47 1aqi h GLN 373 CO -0.18 0.47 -0.19 2.35 0.00 0.00 0.00 178.83 181.27 1aqi h TRP 374 N 0.73 -0.51 -0.91 3.99 -0.00 -0.28 -2.28 115.95 116.68 1aqi h TRP 374 Ca 0.44 -0.01 0.11 0.00 -0.00 0.00 0.00 58.89 59.43 1aqi h TRP 374 Cb 0.52 0.17 -0.07 0.00 -0.00 0.00 0.00 29.16 29.78 1aqi h TRP 374 CO -0.07 -0.25 0.59 -0.07 -0.00 0.00 0.00 178.44 178.63 1aqi h LEU 375 N -0.66 0.79 -0.69 0.65 4.07 -0.83 -0.83 115.31 117.81 1aqi h LEU 375 Ca -0.06 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1aqi h LEU 375 Cb 0.48 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.09 1aqi h LEU 375 CO 0.09 0.44 -0.04 0.59 -1.08 0.00 0.00 178.44 178.44 1aqi n ASN 376 N -4.56 1.10 -4.70 -0.43 3.02 -0.84 -4.73 115.26 104.13 1aqi n ASN 376 Ca 0.16 -1.27 -0.33 0.00 -0.03 0.00 0.00 54.58 53.12 1aqi n ASN 376 Cb 0.36 0.01 0.12 0.00 -0.61 0.00 0.00 39.78 39.66 1aqi n ASN 376 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1aqi s SER 377 N -2.10 3.64 0.55 6.41 1.04 -0.32 -4.87 113.70 118.05 1aqi s SER 377 Ca 0.37 2.32 0.35 0.00 0.48 0.00 0.00 55.95 59.48 1aqi s SER 377 Cb 0.21 -2.58 1.59 0.00 0.10 0.00 0.00 66.02 65.33 1aqi s SER 377 CO 0.37 -2.63 2.05 -0.08 0.98 0.00 0.00 173.24 173.93 1aqi h GLU 378 N -0.93 0.00 0.07 4.02 4.81 -1.90 -2.05 114.58 118.59 1aqi h GLU 378 Ca -0.46 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.49 1aqi h GLU 378 Cb 1.29 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.70 1aqi h GLU 378 CO 0.46 0.00 -1.13 0.00 -0.73 0.00 0.00 179.01 177.61 1aqi h ALA 379 N 2.02 0.05 -0.31 2.92 0.00 -1.90 -2.98 119.26 119.06 1aqi h ALA 379 Ca 0.00 -0.73 -0.10 0.00 0.00 0.00 0.00 54.91 54.08 1aqi h ALA 379 Cb 0.37 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1aqi h ALA 379 CO 0.00 0.67 -0.23 1.98 0.00 0.00 0.00 179.25 181.67 1aqi h MET 380 N 0.31 0.59 -0.24 0.00 1.85 -1.63 -2.46 114.93 113.35 1aqi h MET 380 Ca -0.16 -0.22 -0.07 0.00 -0.61 0.00 0.00 59.70 58.64 1aqi h MET 380 Cb 1.80 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 33.79 1aqi h MET 380 CO 0.22 0.78 -0.11 1.96 -0.40 0.00 0.00 176.91 179.36 1aqi h GLN 381 N 0.52 0.49 -0.45 0.39 1.08 -1.52 -2.37 115.11 113.26 1aqi h GLN 381 Ca 0.08 -0.21 -0.03 0.00 -1.45 0.00 0.00 58.65 57.04 1aqi h GLN 381 Cb 0.68 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.07 1aqi h GLN 381 CO 0.05 0.75 0.17 -0.22 -0.95 0.00 0.00 178.83 178.63 1aqi h LYS 382 N 0.21 0.65 0.48 1.46 3.64 -1.50 -0.18 116.57 121.34 1aqi h LYS 382 Ca 0.05 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1aqi h LYS 382 Cb 0.60 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1aqi h LYS 382 CO 0.03 0.55 -0.23 1.25 -2.27 0.00 0.00 179.45 178.78 1aqi h HIS 383 N 0.64 -0.60 -0.29 1.91 2.76 -1.30 -0.49 115.15 117.78 1aqi h HIS 383 Ca 0.16 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.27 1aqi h HIS 383 Cb 0.15 0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.29 1aqi h HIS 383 CO 0.01 -0.31 -0.01 0.28 -1.30 0.00 0.00 177.93 176.59 1aqi h VAL 384 N -0.79 1.18 -0.23 5.26 2.07 -1.26 -2.70 116.25 119.79 1aqi h VAL 384 Ca -0.07 -0.72 -0.12 0.00 0.82 0.00 0.00 66.70 66.62 1aqi h VAL 384 Cb 0.56 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1aqi h VAL 384 CO 0.11 0.24 -0.32 -0.09 0.02 0.00 0.00 177.57 177.53 1aqi h ARG 385 N 0.43 0.61 0.00 1.57 2.43 -0.92 -2.42 114.38 116.09 1aqi h ARG 385 Ca 0.09 -0.36 -0.00 0.00 -0.81 0.00 0.00 59.98 58.90 1aqi h ARG 385 Cb 0.30 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1aqi h ARG 385 CO 0.01 0.97 -0.00 1.15 -1.51 0.00 0.00 179.97 180.58 1aqi h THR 386 N 0.31 1.08 0.02 0.20 2.02 -0.98 -1.66 112.91 113.90 1aqi h THR 386 Ca 0.02 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 66.95 1aqi h THR 386 Cb 0.90 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.56 1aqi h THR 386 CO 0.07 0.06 -0.01 -0.07 0.37 0.00 0.00 175.52 175.95 1aqi h LEU 387 N -0.11 -0.02 -1.67 2.58 3.38 -1.55 -3.38 115.31 114.54 1aqi h LEU 387 Ca -0.00 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1aqi h LEU 387 Cb 0.11 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1aqi h LEU 387 CO 0.00 0.32 0.00 -1.22 0.09 0.00 0.00 178.44 177.63 1aqi n TYR 388 N -4.94 0.05 0.00 1.13 4.01 -0.91 -1.50 117.16 115.00 1aqi n TYR 388 Ca -0.08 -0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 1aqi n TYR 388 Cb 0.19 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 1aqi n TYR 388 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1aqi n ARG 389 N 0.82 0.00 -1.09 -0.72 1.74 -0.62 -1.85 116.66 114.94 1aqi n ARG 389 Ca 0.09 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.07 1aqi n ARG 389 Cb 0.38 0.00 0.15 0.00 -1.02 0.00 0.00 32.46 31.97 1aqi n ARG 389 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1aqi n ASP 390 N 0.98 3.30 -0.05 0.55 5.68 -1.26 -4.77 116.55 120.98 1aqi n ASP 390 Ca 0.00 -3.81 -0.08 0.00 -0.50 0.00 0.00 54.79 50.40 1aqi n ASP 390 Cb 0.00 -0.58 -0.02 0.00 -1.14 0.00 0.00 41.12 39.38 1aqi n ASP 390 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 1aqi h PHE 391 N 1.34 -0.27 -2.63 2.11 0.04 -1.73 -3.42 116.94 112.38 1aqi h PHE 391 Ca 0.25 0.03 -0.57 0.00 2.80 0.00 0.00 57.97 60.48 1aqi h PHE 391 Cb 1.46 0.16 -0.15 0.00 2.20 0.00 0.00 35.95 39.61 1aqi h PHE 391 CO 0.99 -0.18 -0.76 0.14 -0.60 0.00 0.00 178.31 177.90 1aqi s VAL 392 N -6.18 2.21 -1.50 -0.55 -7.23 -1.26 -4.09 120.40 101.81 1aqi s VAL 392 Ca -0.14 -2.25 0.26 0.00 -1.81 0.00 0.00 61.98 58.03 1aqi s VAL 392 Cb 0.12 -2.16 0.49 0.00 0.56 0.00 0.00 36.38 35.38 1aqi s VAL 392 CO 0.69 -0.40 1.88 -0.81 -0.31 0.00 0.00 175.10 176.15 1aqi n PRO 393 N -0.34 0.42 -3.60 4.82 -0.04 -1.26 -4.74 135.00 130.26 1aqi n PRO 393 Ca -0.08 0.04 -0.14 0.00 -0.04 0.00 0.00 63.50 63.28 1aqi n PRO 393 Cb 0.59 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.49 1aqi n PRO 393 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1aqi s HIS 394 N -2.50 -0.40 0.33 0.54 -3.43 -1.26 -3.84 115.29 104.72 1aqi s HIS 394 Ca 0.26 0.48 -0.29 0.00 -0.80 0.00 0.00 55.06 54.72 1aqi s HIS 394 Cb 0.17 0.31 -0.12 0.00 -1.43 0.00 0.00 32.58 31.51 1aqi s HIS 394 CO 0.38 -0.61 1.44 -0.11 -2.00 0.00 0.00 174.74 173.85 1aqi n LEU 395 N 0.54 4.11 -4.61 5.38 7.94 -0.40 -4.78 117.00 125.19 1aqi n LEU 395 Ca -0.19 1.19 -0.24 0.00 -1.11 0.00 0.00 56.01 55.67 1aqi n LEU 395 Cb 0.59 -1.55 -0.08 0.00 0.53 0.00 0.00 43.42 42.91 1aqi n LEU 395 CO 0.20 -0.12 -0.34 0.42 -1.11 0.00 0.00 177.39 176.44 1aqi s THR 396 N -0.74 2.96 0.26 1.96 -4.23 -1.26 -4.78 115.64 109.82 1aqi s THR 396 Ca 0.58 -2.02 -0.02 0.00 -1.18 0.00 0.00 61.69 59.06 1aqi s THR 396 Cb -0.53 -2.73 0.24 0.00 1.34 0.00 0.00 72.50 70.82 1aqi s THR 396 CO 0.58 -0.31 1.71 0.25 -0.54 0.00 0.00 174.62 176.32 1aqi h LEU 397 N 1.91 0.26 -1.07 4.79 5.85 -1.99 -0.45 115.31 124.61 1aqi h LEU 397 Ca -0.43 0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.37 1aqi h LEU 397 Cb 1.25 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.38 1aqi h LEU 397 CO 0.63 0.06 0.09 0.03 -0.34 0.00 0.00 178.44 178.90 1aqi h ARG 398 N 0.41 0.75 -0.22 1.25 2.47 -1.96 -1.79 114.38 115.30 1aqi h ARG 398 Ca 0.46 -0.16 -0.11 0.00 -1.26 0.00 0.00 59.98 58.90 1aqi h ARG 398 Cb 0.76 -0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.97 1aqi h ARG 398 CO -0.46 0.70 -0.31 0.52 0.56 0.00 0.00 179.97 180.98 1aqi h MET 399 N 0.72 0.59 0.17 0.04 2.86 -1.54 -3.32 114.93 114.45 1aqi h MET 399 Ca 0.16 -0.35 -0.01 0.00 -2.06 0.00 0.00 59.70 57.44 1aqi h MET 399 Cb 0.32 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1aqi h MET 399 CO 0.00 0.96 -0.08 1.25 1.06 0.00 0.00 176.91 180.10 1aqi h LEU 400 N 0.28 -0.20 -0.33 1.22 5.85 -0.95 -3.08 115.31 118.10 1aqi h LEU 400 Ca 0.02 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1aqi h LEU 400 Cb 0.89 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1aqi h LEU 400 CO 0.07 -0.14 0.00 -1.84 -0.34 0.00 0.00 178.44 176.19 1aqi n GLU 401 N -5.19 0.04 0.00 1.25 0.28 -0.69 -1.63 120.64 114.70 1aqi n GLU 401 Ca -0.09 0.48 0.09 0.00 -0.16 0.00 0.00 57.16 57.48 1aqi n GLU 401 Cb 0.12 -1.62 0.06 0.00 1.43 0.00 0.00 31.44 31.43 1aqi n GLU 401 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1aqi n ARG 402 N -1.70 1.61 -1.81 3.44 1.74 -1.17 -1.50 116.66 117.28 1aqi n ARG 402 Ca 0.00 -1.48 -0.42 0.00 -0.77 0.00 0.00 57.85 55.18 1aqi n ARG 402 Cb 0.05 -1.36 -0.02 0.00 -1.02 0.00 0.00 32.46 30.11 1aqi n ARG 402 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1aqi s LEU 403 N -1.68 4.36 -0.07 0.55 1.43 -0.64 -4.67 118.68 117.96 1aqi s LEU 403 Ca 0.21 2.85 -0.29 0.00 -1.03 0.00 0.00 54.13 55.87 1aqi s LEU 403 Cb 0.15 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.74 1aqi s LEU 403 CO 0.28 -0.90 0.95 -2.16 0.23 0.00 0.00 176.35 174.74 1aqi s PRO 404 N 0.34 4.46 -0.39 1.29 0.04 -1.26 0.29 135.00 139.76 1aqi s PRO 404 Ca 0.68 1.31 -0.14 0.00 0.04 0.00 0.00 61.00 62.88 1aqi s PRO 404 Cb -0.47 -3.51 0.01 0.00 0.04 0.00 0.00 34.50 30.57 1aqi s PRO 404 CO 0.39 -0.19 0.28 0.08 0.04 0.00 0.00 177.00 177.61 1aqi s VAL 405 N 1.57 5.26 0.11 -0.36 1.01 0.16 -4.88 120.40 123.27 1aqi s VAL 405 Ca 0.47 -0.54 -0.31 0.00 0.00 0.00 0.00 61.98 61.61 1aqi s VAL 405 Cb -0.19 -3.87 -0.10 0.00 0.00 0.00 0.00 36.38 32.22 1aqi s VAL 405 CO 0.21 -0.23 1.87 -1.14 0.00 0.00 0.00 175.10 175.81 1aqi n ARG 406 N 5.14 2.85 -0.05 2.72 0.63 -1.26 -1.46 116.66 125.22 1aqi n ARG 406 Ca -0.11 1.04 0.04 0.00 -0.92 0.00 0.00 57.85 57.90 1aqi n ARG 406 Cb 0.48 -2.95 0.08 0.00 0.45 0.00 0.00 32.46 30.52 1aqi n ARG 406 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1aqi n ARG 407 N 5.98 -0.01 -0.13 -0.14 5.12 -1.26 -1.37 116.66 124.86 1aqi n ARG 407 Ca 0.18 0.23 0.05 0.00 -1.93 0.00 0.00 57.85 56.38 1aqi n ARG 407 Cb 0.38 -0.39 0.16 0.00 -1.16 0.00 0.00 32.46 31.45 1aqi n ARG 407 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1aqi n GLU 408 N -3.53 1.61 -0.11 5.56 0.00 -1.26 -3.97 120.64 118.94 1aqi n GLU 408 Ca 0.05 -0.95 -0.13 0.00 0.00 0.00 0.00 57.16 56.13 1aqi n GLU 408 Cb 0.18 -1.23 -0.14 0.00 0.00 0.00 0.00 31.44 30.25 1aqi n GLU 408 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1aqi n TYR 409 N 0.25 0.02 -3.63 -1.84 4.01 -0.47 -4.87 117.16 110.64 1aqi n TYR 409 Ca 0.10 0.01 -0.13 0.00 -0.16 0.00 0.00 57.90 57.72 1aqi n TYR 409 Cb 0.23 -1.00 -0.07 0.00 -0.31 0.00 0.00 39.34 38.19 1aqi n TYR 409 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1aqi s GLY 410 N -5.89 -0.44 0.07 2.72 0.00 -1.25 0.00 107.32 102.52 1aqi s GLY 410 Ca -0.20 2.16 -0.10 0.00 0.00 0.00 0.00 44.72 46.58 1aqi s GLY 410 CO 0.74 1.73 0.23 -0.11 0.00 0.00 0.00 173.10 175.68 1aqi s PHE 411 N 0.25 0.05 -0.23 1.90 -0.71 -0.79 -4.74 117.98 113.71 1aqi s PHE 411 Ca 0.00 -0.35 -0.15 0.00 -1.04 0.00 0.00 56.93 55.39 1aqi s PHE 411 Cb -0.05 -0.00 -0.04 0.00 -1.21 0.00 0.00 43.02 41.72 1aqi s PHE 411 CO -0.00 -0.51 0.35 -1.58 -1.34 0.00 0.00 175.22 172.13 1aqi s HIS 412 N -3.21 3.32 -1.75 3.49 2.46 -1.26 -1.52 115.29 116.82 1aqi s HIS 412 Ca -0.00 0.47 0.14 0.00 0.47 0.00 0.00 55.06 56.14 1aqi s HIS 412 Cb 0.02 -2.50 0.11 0.00 -0.13 0.00 0.00 32.58 30.08 1aqi s HIS 412 CO -0.07 -0.08 0.94 2.41 -2.47 0.00 0.00 174.74 175.47