#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aj9 s THR 2 N 0.00 2.14 -0.16 2.03 -4.23 -1.26 -5.11 115.64 109.05 2aj9 s THR 2 Ca 0.00 -0.48 -0.01 0.00 -1.18 0.00 0.00 61.69 60.01 2aj9 s THR 2 Cb 0.00 -2.65 -0.01 0.00 1.34 0.00 0.00 72.50 71.17 2aj9 s THR 2 CO 0.00 0.00 -0.10 -0.70 -0.54 0.00 0.00 174.62 173.28 2aj9 s GLU 3 N -5.26 3.39 -0.12 3.99 2.12 -1.26 -5.10 118.70 116.46 2aj9 s GLU 3 Ca 0.67 -0.66 -0.29 0.00 0.36 0.00 0.00 54.97 55.04 2aj9 s GLU 3 Cb -0.05 -2.74 -0.02 0.00 0.26 0.00 0.00 34.13 31.57 2aj9 s GLU 3 CO 0.46 0.09 1.19 0.42 -0.54 0.00 0.00 175.26 176.88 2aj9 s ILE 4 N 0.67 4.36 0.80 -3.70 1.01 -1.26 -5.01 121.20 118.07 2aj9 s ILE 4 Ca -0.05 1.65 -0.14 0.00 0.00 0.00 0.00 60.65 62.11 2aj9 s ILE 4 Cb -0.15 -4.07 0.08 0.00 0.01 0.00 0.00 42.46 38.33 2aj9 s ILE 4 CO 0.02 -0.08 1.22 0.00 0.00 0.00 0.00 174.94 176.10 2aj9 s ALA 5 N 2.84 1.87 -0.02 9.38 0.00 -1.26 -5.05 121.76 129.52 2aj9 s ALA 5 Ca 0.53 0.88 0.04 0.00 0.00 0.00 0.00 51.96 53.42 2aj9 s ALA 5 Cb -0.22 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.39 2aj9 s ALA 5 CO 0.17 -2.26 -0.14 0.99 0.00 0.00 0.00 175.76 174.52 2aj9 s THR 6 N -2.08 1.14 0.32 0.00 2.01 -1.26 -5.15 115.64 110.62 2aj9 s THR 6 Ca 0.74 -0.60 0.08 0.00 0.31 0.00 0.00 61.69 62.22 2aj9 s THR 6 Cb -0.30 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 71.22 2aj9 s THR 6 CO 0.50 0.33 0.14 0.28 -0.69 0.00 0.00 174.62 175.17 2aj9 s THR 7 N -0.24 3.26 0.01 -0.82 -1.32 -1.26 -5.13 115.64 110.14 2aj9 s THR 7 Ca 0.04 -1.67 -0.18 0.00 -1.21 0.00 0.00 61.69 58.66 2aj9 s THR 7 Cb -0.07 -3.01 0.03 0.00 -1.51 0.00 0.00 72.50 67.95 2aj9 s THR 7 CO -0.00 -0.23 0.40 -0.94 -2.21 0.00 0.00 174.62 171.64 2aj9 s SER 8 N -3.83 -0.28 0.00 8.08 1.04 -1.25 -4.57 113.70 112.89 2aj9 s SER 8 Ca 0.37 0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.89 2aj9 s SER 8 Cb -0.04 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2aj9 s SER 8 CO 0.23 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.48 2aj9 n GLY 9 N 0.81 5.23 3.77 7.32 0.00 -1.02 -4.35 105.19 116.95 2aj9 n GLY 9 Ca -0.20 -1.94 -0.38 0.00 0.00 0.00 0.00 46.02 43.50 2aj9 n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aj9 s ALA 10 N -2.00 3.13 -0.30 4.61 0.00 -1.25 -4.81 121.76 121.14 2aj9 s ALA 10 Ca 0.00 0.94 0.22 0.00 0.00 0.00 0.00 51.96 53.11 2aj9 s ALA 10 Cb 0.00 -3.37 0.12 0.00 0.00 0.00 0.00 23.12 19.87 2aj9 s ALA 10 CO 0.00 -0.51 1.27 0.00 0.00 0.00 0.00 175.76 176.52 2aj9 h ARG 11 N 2.58 0.00 -4.74 0.00 3.08 -1.92 -3.36 114.38 110.02 2aj9 h ARG 11 Ca -0.49 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 58.88 2aj9 h ARG 11 Cb 1.23 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 31.02 2aj9 h ARG 11 CO 0.62 0.06 -0.60 0.45 -1.07 0.00 0.00 179.97 179.44 2aj9 s SER 12 N -5.80 5.29 0.10 7.04 0.15 -1.26 -4.99 113.70 114.23 2aj9 s SER 12 Ca 0.02 -0.86 0.05 0.00 0.70 0.00 0.00 55.95 55.87 2aj9 s SER 12 Cb 0.08 -1.90 -0.03 0.00 -1.71 0.00 0.00 66.02 62.45 2aj9 s SER 12 CO 0.74 -0.26 -0.13 0.68 1.20 0.00 0.00 173.24 175.48 2aj9 s VAL 13 N 1.49 1.16 0.01 4.45 -7.23 -1.26 -1.65 120.40 117.37 2aj9 s VAL 13 Ca 0.01 -1.58 -0.00 0.00 -1.81 0.00 0.00 61.98 58.60 2aj9 s VAL 13 Cb -0.18 -1.35 0.00 0.00 0.56 0.00 0.00 36.38 35.41 2aj9 s VAL 13 CO 0.03 -0.40 0.03 0.61 -0.31 0.00 0.00 175.10 175.06 2aj9 n GLY 14 N 0.75 2.45 3.62 2.32 0.00 0.32 -0.40 105.19 114.25 2aj9 n GLY 14 Ca -0.17 -1.18 -0.41 0.00 0.00 0.00 0.00 46.02 44.26 2aj9 n GLY 14 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aj9 s LEU 15 N 0.00 4.08 0.19 0.99 1.02 -1.26 -1.89 118.68 121.81 2aj9 s LEU 15 Ca 0.01 0.64 0.18 0.00 0.02 0.00 0.00 54.13 54.98 2aj9 s LEU 15 Cb -0.00 -2.85 -0.01 0.00 0.02 0.00 0.00 46.19 43.36 2aj9 s LEU 15 CO 0.01 -0.40 1.12 -0.07 0.02 0.00 0.00 176.35 177.03 2aj9 h LEU 16 N 8.99 0.00 -7.89 1.79 3.38 -0.73 -3.38 115.31 117.47 2aj9 h LEU 16 Ca -0.27 0.00 0.29 0.00 0.09 0.00 0.00 57.88 58.00 2aj9 h LEU 16 Cb 1.12 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.81 2aj9 h LEU 16 CO 0.78 0.38 0.81 -0.94 0.09 0.00 0.00 178.44 179.57 2aj9 s SER 17 N -5.93 -0.00 -0.14 -0.43 1.04 -1.24 -3.43 113.70 103.56 2aj9 s SER 17 Ca 0.01 -0.32 -0.12 0.00 0.48 0.00 0.00 55.95 55.99 2aj9 s SER 17 Cb 0.08 0.24 0.04 0.00 0.10 0.00 0.00 66.02 66.48 2aj9 s SER 17 CO 0.77 -0.48 0.38 0.54 0.98 0.00 0.00 173.24 175.43 2aj9 s VAL 18 N -2.11 -0.01 -0.01 5.02 0.11 -1.26 -2.74 120.40 119.41 2aj9 s VAL 18 Ca 0.26 0.02 0.04 0.00 -2.93 0.00 0.00 61.98 59.37 2aj9 s VAL 18 Cb -0.01 -0.54 -0.01 0.00 -1.53 0.00 0.00 36.38 34.30 2aj9 s VAL 18 CO 0.01 0.01 -0.13 -0.83 -3.33 0.00 0.00 175.10 170.83 2aj9 s GLY 19 N 0.47 0.62 -0.01 6.54 0.00 0.14 -4.65 107.32 110.42 2aj9 s GLY 19 Ca -0.02 -0.53 0.04 0.00 0.00 0.00 0.00 44.72 44.21 2aj9 s GLY 19 CO -0.02 -0.42 -0.14 0.00 0.00 0.00 0.00 173.10 172.51 2aj9 s ALA 20 N -0.25 1.20 -0.18 3.20 0.00 -1.26 -0.68 121.76 123.79 2aj9 s ALA 20 Ca 0.04 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.39 2aj9 s ALA 20 Cb -0.05 -0.32 0.04 0.00 0.00 0.00 0.00 23.12 22.79 2aj9 s ALA 20 CO -0.00 0.29 -0.09 -0.47 0.00 0.00 0.00 175.76 175.49 2aj9 s TYR 21 N -0.29 2.09 -0.13 0.00 5.04 0.16 -4.93 117.35 119.28 2aj9 s TYR 21 Ca 0.05 -1.34 -0.01 0.00 -2.44 0.00 0.00 57.07 53.33 2aj9 s TYR 21 Cb -0.06 -1.50 -0.02 0.00 0.35 0.00 0.00 41.96 40.73 2aj9 s TYR 21 CO -0.00 -0.68 -0.11 -0.98 -1.34 0.00 0.00 175.55 172.43 2aj9 s ARG 22 N 1.51 3.40 0.46 4.97 3.03 -1.26 -1.65 118.95 129.41 2aj9 s ARG 22 Ca 0.00 -0.65 -0.22 0.00 2.03 0.00 0.00 55.73 56.90 2aj9 s ARG 22 Cb -0.15 -2.68 -0.11 0.00 -1.03 0.00 0.00 34.95 30.98 2aj9 s ARG 22 CO -0.08 0.24 0.69 -2.30 -1.13 0.00 0.00 175.30 172.72 2aj9 n PRO 23 N 3.46 0.78 -0.12 3.89 -0.02 -1.26 -4.92 135.00 136.81 2aj9 n PRO 23 Ca -0.18 0.29 -0.09 0.00 -2.02 0.00 0.00 63.50 61.50 2aj9 n PRO 23 Cb 0.53 -1.73 -0.01 0.00 -0.02 0.00 0.00 33.50 32.26 2aj9 n PRO 23 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2aj9 h GLU 24 N 0.86 0.53 -6.50 -0.52 4.81 -1.99 -3.41 114.58 108.36 2aj9 h GLU 24 Ca -0.43 -0.08 -0.53 0.00 -0.13 0.00 0.00 59.36 58.19 2aj9 h GLU 24 Cb 1.38 -0.09 0.04 0.00 0.63 0.00 0.00 28.75 30.70 2aj9 h GLU 24 CO 0.52 0.49 1.08 0.50 -0.73 0.00 0.00 179.01 180.87 2aj9 s ARG 25 N -5.66 4.15 -0.41 1.92 3.00 -1.24 -4.92 118.95 115.79 2aj9 s ARG 25 Ca -0.13 2.53 -0.09 0.00 -1.00 0.00 0.00 55.73 57.04 2aj9 s ARG 25 Cb 0.10 -3.58 0.07 0.00 0.00 0.00 0.00 34.95 31.54 2aj9 s ARG 25 CO 0.74 -0.81 0.25 0.08 0.00 0.00 0.00 175.30 175.56 2aj9 s VAL 26 N 2.67 4.26 -0.16 7.11 1.01 -1.26 -1.42 120.40 132.61 2aj9 s VAL 26 Ca 0.79 -1.35 -0.19 0.00 0.00 0.00 0.00 61.98 61.23 2aj9 s VAL 26 Cb -0.45 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 2aj9 s VAL 26 CO 0.35 -0.48 0.55 -0.69 0.00 0.00 0.00 175.10 174.83 2aj9 s VAL 27 N 1.44 5.11 0.69 2.92 1.01 0.19 -4.92 120.40 126.83 2aj9 s VAL 27 Ca 0.03 1.05 0.00 0.00 0.00 0.00 0.00 61.98 63.06 2aj9 s VAL 27 Cb -0.23 -3.88 0.11 0.00 0.00 0.00 0.00 36.38 32.39 2aj9 s VAL 27 CO 0.02 0.22 0.95 0.28 0.00 0.00 0.00 175.10 176.57 2aj9 s THR 28 N 1.28 2.21 0.12 3.92 -1.32 -1.26 -0.97 115.64 119.62 2aj9 s THR 28 Ca 0.27 -0.63 -0.14 0.00 -1.21 0.00 0.00 61.69 59.98 2aj9 s THR 28 Cb -0.16 -2.58 -0.05 0.00 -1.51 0.00 0.00 72.50 68.20 2aj9 s THR 28 CO 0.11 0.00 1.48 0.78 -2.21 0.00 0.00 174.62 174.78 2aj9 h ASN 29 N -0.40 0.81 -0.76 8.08 4.21 -1.89 -3.24 115.58 122.39 2aj9 h ASN 29 Ca -0.37 -0.42 -0.04 0.00 1.21 0.00 0.00 56.30 56.68 2aj9 h ASN 29 Cb 1.27 -0.22 -0.03 0.00 -1.12 0.00 0.00 38.32 38.21 2aj9 h ASN 29 CO 0.42 1.05 0.33 0.44 -1.29 0.00 0.00 177.43 178.38 2aj9 h ASP 30 N 0.57 1.03 -0.72 5.81 3.32 -1.95 0.21 116.42 124.68 2aj9 h ASP 30 Ca 0.08 -0.16 0.14 0.00 0.02 0.00 0.00 57.03 57.10 2aj9 h ASP 30 Cb 0.77 -0.27 -0.09 0.00 0.22 0.00 0.00 39.33 39.96 2aj9 h ASP 30 CO 0.06 0.90 0.27 -0.33 -1.72 0.00 0.00 179.24 178.42 2aj9 h GLU 31 N 1.08 0.40 0.00 3.56 5.08 -1.97 0.29 114.58 123.02 2aj9 h GLU 31 Ca 0.26 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2aj9 h GLU 31 Cb 0.18 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2aj9 h GLU 31 CO -0.03 0.27 -0.11 0.82 -1.00 0.00 0.00 179.01 178.96 2aj9 h ILE 32 N 0.41 0.00 0.00 3.13 2.04 -1.44 -2.98 117.51 118.68 2aj9 h ILE 32 Ca 0.39 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.58 2aj9 h ILE 32 Cb 0.59 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 2aj9 h ILE 32 CO -0.40 0.00 -0.53 0.00 0.00 0.00 0.00 178.15 177.22 2aj9 h GLN 34 N 0.00 0.87 -0.01 0.00 4.15 -0.35 -3.23 115.11 116.53 2aj9 h GLN 34 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.36 2aj9 h GLN 34 Cb 0.64 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.13 2aj9 h GLN 34 CO 0.00 0.59 -0.58 0.72 -1.93 0.00 0.00 178.83 177.63 2aj9 n HIS 35 N -4.43 0.00 -4.40 3.99 8.25 -1.25 -4.96 115.22 112.43 2aj9 n HIS 35 Ca 0.07 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.33 2aj9 n HIS 35 Cb 0.05 -0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.05 2aj9 n HIS 35 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 2aj9 s ILE 36 N -2.58 1.45 -1.12 1.59 1.10 -1.22 -4.58 121.20 115.84 2aj9 s ILE 36 Ca 0.16 -2.09 -0.06 0.00 -0.51 0.00 0.00 60.65 58.16 2aj9 s ILE 36 Cb 0.18 -2.42 0.28 0.00 0.15 0.00 0.00 42.46 40.64 2aj9 s ILE 36 CO 0.63 -0.31 1.53 0.47 -2.11 0.00 0.00 174.94 175.15 2aj9 n ASP 37 N -0.53 6.10 -1.44 4.50 8.00 -1.26 -4.75 116.55 127.16 2aj9 n ASP 37 Ca -0.05 -3.32 -0.02 0.00 0.71 0.00 0.00 54.79 52.10 2aj9 n ASP 37 Cb 0.64 -1.32 -0.01 0.00 -0.02 0.00 0.00 41.12 40.40 2aj9 n ASP 37 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2aj9 n SER 38 N 1.97 0.32 -3.97 -2.24 7.64 -1.26 -5.11 113.62 110.98 2aj9 n SER 38 Ca 0.29 -1.24 -0.13 0.00 1.01 0.00 0.00 58.87 58.79 2aj9 n SER 38 Cb 0.34 0.16 -0.09 0.00 -1.01 0.00 0.00 64.21 63.62 2aj9 n SER 38 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2aj9 s SER 39 N -1.27 0.44 0.03 6.43 0.01 -1.26 -4.92 113.70 113.16 2aj9 s SER 39 Ca 0.04 -1.41 -0.25 0.00 1.31 0.00 0.00 55.95 55.64 2aj9 s SER 39 Cb 0.00 0.45 -0.17 0.00 0.21 0.00 0.00 66.02 66.51 2aj9 s SER 39 CO 0.03 -0.94 1.44 -0.78 0.41 0.00 0.00 173.24 173.39 2aj9 h ASP 40 N 2.46 -0.18 -0.17 2.44 -0.00 -1.97 -1.37 116.42 117.63 2aj9 h ASP 40 Ca -0.32 -0.19 0.02 0.00 -0.00 0.00 0.00 57.03 56.53 2aj9 h ASP 40 Cb 1.25 0.05 -0.02 0.00 -0.00 0.00 0.00 39.33 40.60 2aj9 h ASP 40 CO 0.47 0.10 0.06 -0.08 -0.00 0.00 0.00 179.24 179.79 2aj9 h GLU 41 N -0.45 0.14 -0.80 0.28 4.57 -1.96 -1.60 114.58 114.75 2aj9 h GLU 41 Ca -0.02 -0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.21 2aj9 h GLU 41 Cb 0.36 -0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.85 2aj9 h GLU 41 CO 0.03 0.09 0.48 0.00 -1.18 0.00 0.00 179.01 178.44 2aj9 h ALA 42 N 1.10 1.10 0.25 2.92 0.00 -1.78 0.17 119.26 123.02 2aj9 h ALA 42 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2aj9 h ALA 42 Cb 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2aj9 h ALA 42 CO -0.07 0.20 -0.12 0.82 0.00 0.00 0.00 179.25 180.08 2aj9 h ILE 43 N 0.88 0.80 -0.72 0.00 2.04 -1.13 -1.38 117.51 118.00 2aj9 h ILE 43 Ca 0.35 -0.62 0.10 0.00 1.00 0.00 0.00 64.86 65.70 2aj9 h ILE 43 Cb 0.19 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.35 2aj9 h ILE 43 CO -0.18 0.13 0.47 0.22 0.00 0.00 0.00 178.15 178.79 2aj9 h TYR 44 N -0.67 0.61 0.00 1.37 3.20 -0.68 0.25 116.97 121.05 2aj9 h TYR 44 Ca -0.03 0.02 -0.24 0.00 3.14 0.00 0.00 58.73 61.61 2aj9 h TYR 44 Cb 0.47 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 2aj9 h TYR 44 CO 0.03 0.28 -1.24 1.79 -1.64 0.00 0.00 178.16 177.38 2aj9 h THR 45 N 0.57 1.42 -0.03 1.81 1.35 -0.60 0.22 112.91 117.65 2aj9 h THR 45 Ca 0.33 -3.18 -0.22 0.00 -0.55 0.00 0.00 66.41 62.79 2aj9 h THR 45 Cb 0.54 2.70 0.02 0.00 -1.73 0.00 0.00 68.15 69.68 2aj9 h THR 45 CO -0.11 0.81 -0.83 0.03 -0.25 0.00 0.00 175.52 175.17 2aj9 h ARG 46 N 0.00 0.62 0.00 4.72 2.47 -0.87 -3.40 114.38 117.92 2aj9 h ARG 46 Ca -0.10 -0.63 -0.10 0.00 -1.26 0.00 0.00 59.98 57.89 2aj9 h ARG 46 Cb 1.85 0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 30.32 2aj9 h ARG 46 CO 0.11 1.23 -1.43 0.25 0.56 0.00 0.00 179.97 180.69 2aj9 n THR 47 N -4.00 0.37 -0.88 2.04 -2.24 0.83 -4.71 114.28 105.69 2aj9 n THR 47 Ca -0.10 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 2aj9 n THR 47 Cb 0.78 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 2aj9 n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2aj9 n GLY 48 N 2.50 0.57 3.69 3.38 0.00 0.76 -2.40 105.19 113.68 2aj9 n GLY 48 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 2aj9 n GLY 48 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aj9 s ILE 49 N -2.04 5.32 -0.09 -0.61 1.01 -1.26 -3.86 121.20 119.68 2aj9 s ILE 49 Ca 0.00 0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.83 2aj9 s ILE 49 Cb 0.00 -3.45 -0.06 0.00 0.01 0.00 0.00 42.46 38.96 2aj9 s ILE 49 CO 0.00 0.40 -0.07 1.17 0.00 0.00 0.00 174.94 176.44 2aj9 n LYS 50 N 3.86 0.58 -4.15 2.79 4.81 0.05 -3.66 118.16 122.44 2aj9 n LYS 50 Ca -0.16 0.05 -0.10 0.00 -0.87 0.00 0.00 58.31 57.23 2aj9 n LYS 50 Cb 0.52 -1.18 -0.10 0.00 0.02 0.00 0.00 35.03 34.29 2aj9 n LYS 50 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 2aj9 s THR 51 N -2.18 0.30 -0.07 3.15 -4.23 -0.87 -2.87 115.64 108.87 2aj9 s THR 51 Ca -0.11 -1.89 -0.22 0.00 -1.18 0.00 0.00 61.69 58.29 2aj9 s THR 51 Cb 0.03 -1.86 0.05 0.00 1.34 0.00 0.00 72.50 72.06 2aj9 s THR 51 CO 0.22 -0.68 0.50 0.00 -0.54 0.00 0.00 174.62 174.13 2aj9 s ARG 52 N -3.96 0.81 0.24 3.99 1.70 -0.14 -3.03 118.95 118.55 2aj9 s ARG 52 Ca 0.17 0.19 -0.08 0.00 -0.47 0.00 0.00 55.73 55.55 2aj9 s ARG 52 Cb 0.07 0.38 -0.06 0.00 -0.57 0.00 0.00 34.95 34.76 2aj9 s ARG 52 CO -0.02 -0.22 0.53 1.03 -1.08 0.00 0.00 175.30 175.54 2aj9 s ARG 53 N -0.91 3.73 -0.05 3.89 1.81 -1.26 0.54 118.95 126.71 2aj9 s ARG 53 Ca -0.10 0.16 0.01 0.00 -1.72 0.00 0.00 55.73 54.08 2aj9 s ARG 53 Cb -0.03 -2.67 0.02 0.00 -0.45 0.00 0.00 34.95 31.82 2aj9 s ARG 53 CO 0.06 0.30 -0.05 -0.06 -0.68 0.00 0.00 175.30 174.87 2aj9 s PHE 54 N -1.88 0.77 0.29 -0.53 0.40 -0.51 -2.43 117.98 114.10 2aj9 s PHE 54 Ca 0.46 -0.22 -0.26 0.00 -0.60 0.00 0.00 56.93 56.30 2aj9 s PHE 54 Cb -0.11 -0.69 -0.10 0.00 0.51 0.00 0.00 43.02 42.64 2aj9 s PHE 54 CO 0.24 -0.20 0.92 0.00 0.70 0.00 0.00 175.22 176.88 2aj9 s ALA 55 N 0.95 3.26 1.00 5.36 0.00 -1.26 -3.68 121.76 127.39 2aj9 s ALA 55 Ca -0.11 0.52 -0.11 0.00 0.00 0.00 0.00 51.96 52.26 2aj9 s ALA 55 Cb -0.14 -3.16 0.19 0.00 0.00 0.00 0.00 23.12 20.01 2aj9 s ALA 55 CO -0.00 0.20 1.09 0.00 0.00 0.00 0.00 175.76 177.04 2aj9 s ALA 56 N -1.50 0.75 0.22 0.00 0.00 -1.26 -4.90 121.76 115.07 2aj9 s ALA 56 Ca 0.47 0.14 -0.09 0.00 0.00 0.00 0.00 51.96 52.48 2aj9 s ALA 56 Cb -0.20 -3.30 0.19 0.00 0.00 0.00 0.00 23.12 19.80 2aj9 s ALA 56 CO 0.25 -3.06 1.89 -0.44 0.00 0.00 0.00 175.76 174.40 2aj9 h ASP 57 N -2.07 0.97 0.37 0.00 3.32 -2.05 -2.13 116.42 114.82 2aj9 h ASP 57 Ca -0.52 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.49 2aj9 h ASP 57 Cb 1.30 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.60 2aj9 h ASP 57 CO 0.48 0.72 0.00 -0.90 -1.72 0.00 0.00 179.24 177.82 2aj9 n ASP 58 N -4.49 0.33 -4.80 6.45 5.75 -1.26 -4.74 116.55 113.79 2aj9 n ASP 58 Ca 0.09 0.61 -0.23 0.00 -0.01 0.00 0.00 54.79 55.24 2aj9 n ASP 58 Cb 0.03 -0.67 0.08 0.00 -1.03 0.00 0.00 41.12 39.53 2aj9 n ASP 58 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2aj9 s GLU 59 N -3.22 2.03 0.34 0.11 2.02 -0.80 -5.05 118.70 114.12 2aj9 s GLU 59 Ca 0.03 -0.85 -0.17 0.00 0.02 0.00 0.00 54.97 53.99 2aj9 s GLU 59 Cb 0.07 -2.35 0.06 0.00 0.10 0.00 0.00 34.13 32.01 2aj9 s GLU 59 CO 0.24 -1.18 0.87 -1.54 0.02 0.00 0.00 175.26 173.66 2aj9 s SER 60 N -4.60 0.03 0.14 -0.19 1.04 -1.26 -4.92 113.70 103.93 2aj9 s SER 60 Ca 0.62 -1.05 -0.18 0.00 0.48 0.00 0.00 55.95 55.83 2aj9 s SER 60 Cb -0.08 0.76 -0.01 0.00 0.10 0.00 0.00 66.02 66.79 2aj9 s SER 60 CO 0.42 -1.52 1.79 0.00 0.98 0.00 0.00 173.24 174.92 2aj9 h ALA 61 N 2.00 0.39 0.47 5.32 0.00 -1.90 -2.00 119.26 123.54 2aj9 h ALA 61 Ca -0.32 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2aj9 h ALA 61 Cb 1.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2aj9 h ALA 61 CO 0.41 -0.18 -0.23 0.00 0.00 0.00 0.00 179.25 179.25 2aj9 h ALA 62 N 1.13 -0.63 -0.74 0.00 0.00 -1.95 -0.85 119.26 116.22 2aj9 h ALA 62 Ca 0.12 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 54.98 2aj9 h ALA 62 Cb -0.01 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 2aj9 h ALA 62 CO -0.05 -0.83 0.37 0.66 0.00 0.00 0.00 179.25 179.40 2aj9 h SER 63 N -0.69 0.48 0.51 0.00 4.64 -1.92 -0.79 113.55 115.78 2aj9 h SER 63 Ca -0.06 0.06 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 2aj9 h SER 63 Cb 0.51 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.57 2aj9 h SER 63 CO 0.11 0.26 -0.53 0.24 -0.87 0.00 0.00 176.83 176.04 2aj9 h MET 64 N 0.61 0.02 -0.30 4.77 0.00 -1.28 -1.92 114.93 116.83 2aj9 h MET 64 Ca 0.37 -0.01 -0.02 0.00 0.00 0.00 0.00 59.70 60.03 2aj9 h MET 64 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 32.00 2aj9 h MET 64 CO -0.28 0.55 0.10 0.00 0.00 0.00 0.00 176.91 177.28 2aj9 h ALA 65 N 1.45 0.40 -0.15 6.32 0.00 0.25 -0.50 119.26 127.02 2aj9 h ALA 65 Ca -0.00 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.78 2aj9 h ALA 65 Cb 0.94 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2aj9 h ALA 65 CO 0.07 0.02 0.04 0.00 0.00 0.00 0.00 179.25 179.38 2aj9 h THR 66 N 0.34 0.95 -0.84 0.00 1.03 -1.23 -0.35 112.91 112.80 2aj9 h THR 66 Ca 0.10 -0.04 0.06 0.00 -0.01 0.00 0.00 66.41 66.52 2aj9 h THR 66 Cb 0.22 0.83 -0.06 0.00 -1.07 0.00 0.00 68.15 68.07 2aj9 h THR 66 CO -0.00 0.02 0.52 -0.08 -0.01 0.00 0.00 175.52 175.96 2aj9 h GLU 67 N 0.11 0.92 -0.00 0.00 4.57 -0.90 -0.36 114.58 118.90 2aj9 h GLU 67 Ca 0.07 -0.06 -0.12 0.00 -1.18 0.00 0.00 59.36 58.07 2aj9 h GLU 67 Cb 0.05 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.42 2aj9 h GLU 67 CO -0.08 0.61 -0.58 0.00 -1.18 0.00 0.00 179.01 177.77 2aj9 h ALA 68 N 1.40 1.03 -0.40 2.92 0.00 -0.70 -2.99 119.26 120.53 2aj9 h ALA 68 Ca 0.37 -0.53 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 2aj9 h ALA 68 Cb 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2aj9 h ALA 68 CO -0.18 0.72 -0.35 0.00 0.00 0.00 0.00 179.25 179.44 2aj9 h ARG 70 N 0.78 0.34 0.12 0.00 3.08 -0.96 0.84 114.38 118.58 2aj9 h ARG 70 Ca 0.07 -0.02 -0.27 0.00 0.07 0.00 0.00 59.98 59.83 2aj9 h ARG 70 Cb 0.95 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.92 2aj9 h ARG 70 CO 0.09 0.23 -1.23 0.00 -1.07 0.00 0.00 179.97 178.00 2aj9 h ARG 71 N 0.35 0.25 -0.49 0.04 3.08 -1.38 -1.99 114.38 114.25 2aj9 h ARG 71 Ca 0.10 -0.42 -0.08 0.00 0.07 0.00 0.00 59.98 59.64 2aj9 h ARG 71 Cb -0.03 0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 2aj9 h ARG 71 CO -0.02 1.20 -0.04 0.00 -1.07 0.00 0.00 179.97 180.05 2aj9 h ALA 72 N 0.61 1.03 0.19 0.04 0.00 -0.29 0.58 119.26 121.42 2aj9 h ALA 72 Ca -0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2aj9 h ALA 72 Cb 1.96 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.56 2aj9 h ALA 72 CO 0.20 0.60 -0.09 -0.07 0.00 0.00 0.00 179.25 179.89 2aj9 h LEU 73 N 0.77 -0.21 -0.68 0.00 -0.00 -0.89 -1.46 115.31 112.83 2aj9 h LEU 73 Ca 0.14 -0.17 -0.03 0.00 -0.00 0.00 0.00 57.88 57.82 2aj9 h LEU 73 Cb 0.51 0.05 -0.03 0.00 -0.00 0.00 0.00 40.66 41.20 2aj9 h LEU 73 CO 0.03 0.05 0.30 -1.28 -0.00 0.00 0.00 178.44 177.54 2aj9 h SER 74 N -0.47 0.91 0.11 -0.43 0.87 -1.13 0.12 113.55 113.53 2aj9 h SER 74 Ca -0.03 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.37 2aj9 h SER 74 Cb 0.36 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.09 2aj9 h SER 74 CO 0.04 0.81 -0.05 0.78 -0.53 0.00 0.00 176.83 177.89 2aj9 h ASN 75 N 0.95 0.00 0.21 6.23 -0.26 -0.89 -0.17 115.58 121.66 2aj9 h ASN 75 Ca 0.23 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.97 2aj9 h ASN 75 Cb 0.16 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.42 2aj9 h ASN 75 CO -0.02 0.05 -0.42 0.00 -1.06 0.00 0.00 177.43 175.97 2aj9 n ALA 76 N -2.35 3.43 -3.27 -0.83 0.00 -0.55 -4.87 120.51 112.06 2aj9 n ALA 76 Ca -0.03 -0.46 -0.17 0.00 0.00 0.00 0.00 53.44 52.78 2aj9 n ALA 76 Cb 0.13 -1.03 0.07 0.00 0.00 0.00 0.00 19.45 18.63 2aj9 n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aj9 n GLY 77 N 1.40 -0.23 3.57 0.00 0.00 0.26 -5.02 105.19 105.18 2aj9 n GLY 77 Ca 0.10 0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 2aj9 n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aj9 s LEU 78 N -5.81 2.17 0.39 0.99 1.43 -0.25 -5.03 118.68 112.57 2aj9 s LEU 78 Ca 0.25 -1.59 0.05 0.00 -1.03 0.00 0.00 54.13 51.81 2aj9 s LEU 78 Cb -0.11 -0.38 -0.06 0.00 0.03 0.00 0.00 46.19 45.67 2aj9 s LEU 78 CO 0.59 -0.81 0.04 -0.94 0.23 0.00 0.00 176.35 175.45 2aj9 s SER 79 N -3.66 3.21 0.45 2.29 1.04 -1.26 -4.32 113.70 111.44 2aj9 s SER 79 Ca 0.22 -1.43 0.12 0.00 0.48 0.00 0.00 55.95 55.34 2aj9 s SER 79 Cb 0.04 -0.09 1.01 0.00 0.10 0.00 0.00 66.02 67.08 2aj9 s SER 79 CO 0.12 -0.60 2.04 0.00 0.98 0.00 0.00 173.24 175.78 2aj9 h ALA 80 N 1.86 1.76 0.00 5.32 0.00 -1.91 -0.12 119.26 126.17 2aj9 h ALA 80 Ca -0.42 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2aj9 h ALA 80 Cb 1.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2aj9 h ALA 80 CO 0.74 0.19 0.00 0.00 0.00 0.00 0.00 179.25 180.17 2aj9 n ALA 81 N -2.51 1.20 0.85 0.00 0.00 -1.26 -1.20 120.51 117.59 2aj9 n ALA 81 Ca -0.01 0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.66 2aj9 n ALA 81 Cb 0.15 -1.24 0.20 0.00 0.00 0.00 0.00 19.45 18.57 2aj9 n ALA 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2aj9 n ASP 82 N -1.99 0.56 -4.75 0.00 9.92 -0.06 -4.88 116.55 115.35 2aj9 n ASP 82 Ca -0.00 -0.17 -0.39 0.00 -0.53 0.00 0.00 54.79 53.71 2aj9 n ASP 82 Cb 0.07 0.30 -0.06 0.00 -0.64 0.00 0.00 41.12 40.80 2aj9 n ASP 82 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2aj9 s ILE 83 N -3.06 4.99 -1.34 0.53 -1.09 -0.34 -4.59 121.20 116.30 2aj9 s ILE 83 Ca 0.09 1.19 0.20 0.00 -2.23 0.00 0.00 60.65 59.90 2aj9 s ILE 83 Cb 0.16 -3.91 -0.13 0.00 -1.58 0.00 0.00 42.46 37.01 2aj9 s ILE 83 CO 0.72 0.39 0.91 0.47 -1.23 0.00 0.00 174.94 176.20 2aj9 n ASP 84 N 2.98 1.35 0.00 3.58 9.92 0.68 -4.94 116.55 130.13 2aj9 n ASP 84 Ca -0.07 -1.18 0.00 0.00 -0.53 0.00 0.00 54.79 53.02 2aj9 n ASP 84 Cb 0.51 0.78 0.00 0.00 -0.64 0.00 0.00 41.12 41.77 2aj9 n ASP 84 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2aj9 n GLY 85 N 1.41 1.22 3.05 0.44 0.00 -1.23 -3.75 105.19 106.34 2aj9 n GLY 85 Ca 0.06 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 2aj9 n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aj9 s VAL 86 N -1.89 1.12 -0.25 1.61 0.11 -0.70 -1.11 120.40 119.29 2aj9 s VAL 86 Ca 0.00 -0.52 -0.05 0.00 -2.93 0.00 0.00 61.98 58.48 2aj9 s VAL 86 Cb 0.00 -0.99 -0.01 0.00 -1.53 0.00 0.00 36.38 33.86 2aj9 s VAL 86 CO 0.00 0.34 0.02 -0.63 -3.33 0.00 0.00 175.10 171.49 2aj9 s ILE 87 N 0.28 3.71 -0.28 7.04 1.01 0.51 -2.77 121.20 130.71 2aj9 s ILE 87 Ca -0.07 -0.51 -0.11 0.00 0.00 0.00 0.00 60.65 59.96 2aj9 s ILE 87 Cb -0.12 -2.78 -0.05 0.00 0.01 0.00 0.00 42.46 39.53 2aj9 s ILE 87 CO 0.02 0.29 0.18 -0.69 0.00 0.00 0.00 174.94 174.74 2aj9 s VAL 88 N 1.50 5.19 -0.15 2.92 1.01 -0.45 -1.86 120.40 128.57 2aj9 s VAL 88 Ca 0.05 0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.13 2aj9 s VAL 88 Cb -0.15 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 2aj9 s VAL 88 CO -0.00 0.26 -0.07 0.28 0.00 0.00 0.00 175.10 175.57 2aj9 s THR 89 N 1.74 3.58 0.06 3.92 -1.32 -0.38 -0.41 115.64 122.83 2aj9 s THR 89 Ca 0.07 -0.47 -0.28 0.00 -1.21 0.00 0.00 61.69 59.80 2aj9 s THR 89 Cb -0.16 -2.55 0.10 0.00 -1.51 0.00 0.00 72.50 68.38 2aj9 s THR 89 CO 0.10 0.50 1.15 0.28 -2.21 0.00 0.00 174.62 174.44 2aj9 s THR 90 N 0.40 0.00 -0.00 5.08 -1.32 -0.93 -2.23 115.64 116.64 2aj9 s THR 90 Ca -0.06 -0.41 0.00 0.00 -1.21 0.00 0.00 61.69 60.01 2aj9 s THR 90 Cb -0.15 -2.01 0.00 0.00 -1.51 0.00 0.00 72.50 68.84 2aj9 s THR 90 CO 0.04 0.00 0.60 0.59 -2.21 0.00 0.00 174.62 173.64 2aj9 n ASN 91 N -0.49 0.34 -0.32 8.08 3.02 -1.26 -4.37 115.26 120.25 2aj9 n ASN 91 Ca -0.07 -1.21 0.08 0.00 -0.03 0.00 0.00 54.58 53.35 2aj9 n ASN 91 Cb 0.62 -0.01 0.15 0.00 -0.61 0.00 0.00 39.78 39.93 2aj9 n ASN 91 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2aj9 n THR 92 N -0.09 1.76 -2.78 3.41 -2.24 -1.26 -4.97 114.28 108.11 2aj9 n THR 92 Ca 0.00 -2.34 -0.43 0.00 -2.27 0.00 0.00 64.05 59.02 2aj9 n THR 92 Cb 0.47 -0.13 -0.04 0.00 -2.10 0.00 0.00 70.33 68.53 2aj9 n THR 92 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2aj9 s HIS 93 N -2.65 2.93 -0.28 4.78 5.04 -1.26 -4.55 115.29 119.30 2aj9 s HIS 93 Ca 0.31 0.50 0.00 0.00 -1.54 0.00 0.00 55.06 54.33 2aj9 s HIS 93 Cb 0.29 -3.99 0.26 0.00 0.04 0.00 0.00 32.58 29.18 2aj9 s HIS 93 CO -0.01 -1.08 1.79 1.19 -2.34 0.00 0.00 174.74 174.29 2aj9 n PHE 94 N 7.21 1.54 -3.97 3.88 3.01 -1.26 -4.73 117.46 123.14 2aj9 n PHE 94 Ca 0.07 -1.66 -0.18 0.00 1.01 0.00 0.00 57.45 56.69 2aj9 n PHE 94 Cb 0.48 -0.82 -0.16 0.00 -0.01 0.00 0.00 39.48 38.98 2aj9 n PHE 94 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2aj9 s LEU 95 N -1.76 1.12 0.29 4.37 1.43 -1.26 -4.99 118.68 117.88 2aj9 s LEU 95 Ca 0.30 -0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 53.33 2aj9 s LEU 95 Cb 0.24 -0.30 0.42 0.00 0.03 0.00 0.00 46.19 46.58 2aj9 s LEU 95 CO 0.02 -0.10 1.85 1.56 0.23 0.00 0.00 176.35 179.91 2aj9 h GLN 96 N 7.38 0.84 -2.84 1.70 1.08 -2.05 -3.45 115.11 117.77 2aj9 h GLN 96 Ca -0.38 -0.15 -0.05 0.00 -1.45 0.00 0.00 58.65 56.62 2aj9 h GLN 96 Cb 1.14 -0.14 -0.15 0.00 -0.05 0.00 0.00 27.48 28.28 2aj9 h GLN 96 CO 0.44 0.73 0.09 -0.08 -0.95 0.00 0.00 178.83 179.06 2aj9 s THR 97 N -5.30 0.02 0.73 -0.54 -1.32 -1.26 -4.80 115.64 103.18 2aj9 s THR 97 Ca -0.10 -0.18 -0.11 0.00 -1.21 0.00 0.00 61.69 60.09 2aj9 s THR 97 Cb 0.16 -1.01 0.04 0.00 -1.51 0.00 0.00 72.50 70.18 2aj9 s THR 97 CO 0.80 -0.10 1.10 -2.16 -2.21 0.00 0.00 174.62 172.05 2aj9 s PRO 98 N -2.89 2.54 0.53 7.08 0.04 -1.26 -5.12 135.00 135.92 2aj9 s PRO 98 Ca -0.03 0.27 -0.22 0.00 0.04 0.00 0.00 61.00 61.06 2aj9 s PRO 98 Cb -0.00 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 2aj9 s PRO 98 CO -0.05 -1.20 1.32 -2.14 0.04 0.00 0.00 177.00 174.97 2aj9 s PRO 99 N -5.39 3.23 0.01 0.56 0.02 -1.26 -4.95 135.00 127.21 2aj9 s PRO 99 Ca 0.59 2.14 -0.20 0.00 0.02 0.00 0.00 61.00 63.56 2aj9 s PRO 99 Cb -0.11 -2.27 -0.21 0.00 0.02 0.00 0.00 34.50 31.94 2aj9 s PRO 99 CO 0.50 -1.09 1.16 0.00 -0.33 0.00 0.00 177.00 177.24 2aj9 h ALA 100 N 1.52 0.12 -0.79 -1.55 0.00 -1.95 -3.38 119.26 113.23 2aj9 h ALA 100 Ca -0.51 -0.51 0.07 0.00 0.00 0.00 0.00 54.91 53.96 2aj9 h ALA 100 Cb 1.29 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 19.00 2aj9 h ALA 100 CO 0.58 0.30 -0.47 0.00 0.00 0.00 0.00 179.25 179.66 2aj9 n ALA 101 N -2.55 -0.51 0.24 0.00 0.00 -1.26 0.35 120.51 116.78 2aj9 n ALA 101 Ca -0.09 0.67 0.10 0.00 0.00 0.00 0.00 53.44 54.12 2aj9 n ALA 101 Cb 0.60 -0.11 0.68 0.00 0.00 0.00 0.00 19.45 20.61 2aj9 n ALA 101 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2aj9 h PRO 102 N 0.00 0.00 -0.11 0.00 0.13 -1.84 -1.68 132.00 128.49 2aj9 h PRO 102 Ca 0.13 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.23 2aj9 h PRO 102 Cb 0.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.45 2aj9 h PRO 102 CO -0.74 0.00 -0.03 1.98 -0.23 0.00 0.00 178.00 178.98 2aj9 h MET 103 N 0.00 0.22 -0.14 0.86 1.85 -0.30 -0.68 114.93 116.73 2aj9 h MET 103 Ca 0.03 -0.09 -0.07 0.00 -0.61 0.00 0.00 59.70 58.96 2aj9 h MET 103 Cb 0.11 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.12 2aj9 h MET 103 CO -0.00 0.53 -0.23 0.28 -0.40 0.00 0.00 176.91 177.09 2aj9 h VAL 104 N -0.11 1.23 -0.52 -5.77 2.07 -1.02 -1.77 116.25 110.36 2aj9 h VAL 104 Ca 0.03 -1.06 -0.10 0.00 0.82 0.00 0.00 66.70 66.38 2aj9 h VAL 104 Cb 0.45 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 2aj9 h VAL 104 CO 0.01 0.33 -0.09 0.00 0.02 0.00 0.00 177.57 177.84 2aj9 h ALA 105 N 1.54 0.85 -0.45 1.67 0.00 -1.13 -2.17 119.26 119.57 2aj9 h ALA 105 Ca 0.04 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 2aj9 h ALA 105 Cb 0.54 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2aj9 h ALA 105 CO 0.04 0.65 -0.00 0.00 0.00 0.00 0.00 179.25 179.94 2aj9 h ALA 106 N 1.03 0.61 0.00 0.00 0.00 -0.51 -1.05 119.26 119.33 2aj9 h ALA 106 Ca 0.14 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2aj9 h ALA 106 Cb 0.63 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2aj9 h ALA 106 CO 0.04 0.41 -0.10 0.77 0.00 0.00 0.00 179.25 180.37 2aj9 h SER 107 N 0.65 0.00 0.57 0.00 0.02 -1.16 0.82 113.55 114.44 2aj9 h SER 107 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2aj9 h SER 107 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 2aj9 h SER 107 CO 0.02 0.10 -0.11 0.18 -1.14 0.00 0.00 176.83 175.88 2aj9 n LEU 108 N -3.77 0.27 -0.74 5.07 4.77 -0.83 -4.91 117.00 116.85 2aj9 n LEU 108 Ca -0.02 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 2aj9 n LEU 108 Cb 0.20 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 2aj9 n LEU 108 CO 0.30 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2aj9 n GLY 109 N 1.36 0.68 2.68 -0.72 0.00 0.28 -4.60 105.19 104.87 2aj9 n GLY 109 Ca 0.12 -0.55 -0.08 0.00 0.00 0.00 0.00 46.02 45.50 2aj9 n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aj9 n ALA 110 N -1.62 1.16 0.29 4.61 0.00 -0.45 -4.73 120.51 119.77 2aj9 n ALA 110 Ca 0.00 -1.63 0.16 0.00 0.00 0.00 0.00 53.44 51.97 2aj9 n ALA 110 Cb 0.48 -1.02 0.84 0.00 0.00 0.00 0.00 19.45 19.75 2aj9 n ALA 110 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2aj9 h LYS 111 N 2.35 0.00 0.00 0.00 2.10 -1.81 -2.66 116.57 116.54 2aj9 h LYS 111 Ca -0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.44 2aj9 h LYS 111 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 2aj9 h LYS 111 CO 0.06 0.00 -0.72 0.78 -2.00 0.00 0.00 179.45 177.57 2aj9 h GLY 112 N 0.00 0.00 -2.81 0.07 0.00 -1.94 -3.45 103.07 94.93 2aj9 h GLY 112 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 2aj9 h GLY 112 CO 0.00 0.00 0.53 -0.26 0.00 0.00 0.00 176.54 176.81 2aj9 s ILE 113 N -3.22 2.75 0.91 2.60 -4.36 -1.00 -4.99 121.20 113.87 2aj9 s ILE 113 Ca 0.04 0.57 -0.10 0.00 -0.26 0.00 0.00 60.65 60.90 2aj9 s ILE 113 Cb 0.12 -3.29 0.14 0.00 1.25 0.00 0.00 42.46 40.68 2aj9 s ILE 113 CO 0.74 0.00 1.12 -1.48 0.24 0.00 0.00 174.94 175.57 2aj9 s LEU 114 N -3.11 2.69 0.00 0.37 0.05 -1.25 -4.83 118.68 112.60 2aj9 s LEU 114 Ca 0.65 2.04 0.00 0.00 0.05 0.00 0.00 54.13 56.87 2aj9 s LEU 114 Cb -0.33 -4.44 0.00 0.00 -2.05 0.00 0.00 46.19 39.37 2aj9 s LEU 114 CO 0.40 -2.98 0.00 0.61 -0.55 0.00 0.00 176.35 173.83 2aj9 n GLY 115 N -0.07 2.60 3.64 -3.48 0.00 -1.26 -1.72 105.19 104.91 2aj9 n GLY 115 Ca 0.10 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.34 2aj9 n GLY 115 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2aj9 s PHE 116 N -2.00 0.33 -0.07 1.61 -0.71 -1.11 -4.70 117.98 111.33 2aj9 s PHE 116 Ca 0.00 -0.71 -0.06 0.00 -1.04 0.00 0.00 56.93 55.11 2aj9 s PHE 116 Cb 0.00 0.29 -0.04 0.00 -1.21 0.00 0.00 43.02 42.05 2aj9 s PHE 116 CO 0.00 -1.08 0.18 -0.51 -1.34 0.00 0.00 175.22 172.47 2aj9 s ASP 117 N -3.03 6.42 -0.05 1.98 1.11 -1.26 -1.34 116.67 120.51 2aj9 s ASP 117 Ca 0.21 0.48 0.01 0.00 0.18 0.00 0.00 52.55 53.43 2aj9 s ASP 117 Cb -0.02 -2.07 0.02 0.00 1.07 0.00 0.00 42.92 41.93 2aj9 s ASP 117 CO 0.10 0.34 -0.07 -0.22 1.18 0.00 0.00 175.17 176.51 2aj9 s LEU 118 N -1.38 1.40 -0.11 1.23 0.20 0.45 -4.95 118.68 115.53 2aj9 s LEU 118 Ca 0.20 -0.18 0.02 0.00 0.69 0.00 0.00 54.13 54.87 2aj9 s LEU 118 Cb -0.13 -0.56 0.01 0.00 -0.43 0.00 0.00 46.19 45.09 2aj9 s LEU 118 CO 0.10 -0.03 -0.17 -0.44 -0.29 0.00 0.00 176.35 175.52 2aj9 s SER 119 N 0.88 2.59 -0.25 3.68 0.01 -1.26 -2.19 113.70 117.16 2aj9 s SER 119 Ca -0.11 -0.47 0.14 0.00 1.31 0.00 0.00 55.95 56.82 2aj9 s SER 119 Cb -0.15 -1.17 0.38 0.00 0.21 0.00 0.00 66.02 65.29 2aj9 s SER 119 CO 0.01 0.03 1.34 0.00 0.41 0.00 0.00 173.24 175.03 2aj9 n ALA 120 N 4.15 2.92 -0.76 1.44 0.00 -1.26 -4.98 120.51 122.02 2aj9 n ALA 120 Ca -0.19 -1.47 0.00 0.00 0.00 0.00 0.00 53.44 51.78 2aj9 n ALA 120 Cb 0.51 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.21 2aj9 n ALA 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aj9 n GLY 121 N -0.96 0.20 0.12 0.00 0.00 -1.26 -2.75 105.19 100.53 2aj9 n GLY 121 Ca -0.12 -0.96 0.07 0.00 0.00 0.00 0.00 46.02 45.01 2aj9 n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aj9 n ALA 123 N -1.61 3.46 0.20 0.00 0.00 -1.11 -4.04 120.51 117.40 2aj9 n ALA 123 Ca -0.01 -1.79 0.06 0.00 0.00 0.00 0.00 53.44 51.70 2aj9 n ALA 123 Cb 0.13 -1.05 0.40 0.00 0.00 0.00 0.00 19.45 18.94 2aj9 n ALA 123 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2aj9 h GLY 124 N 3.93 0.00 0.99 0.00 0.00 -0.82 -3.16 103.07 104.01 2aj9 h GLY 124 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2aj9 h GLY 124 CO 0.36 0.00 0.21 -2.75 0.00 0.00 0.00 176.54 174.36 2aj9 h PHE 125 N 0.00 0.43 -0.77 5.60 3.57 -1.78 -1.48 116.94 122.51 2aj9 h PHE 125 Ca -0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2aj9 h PHE 125 Cb 0.76 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.32 2aj9 h PHE 125 CO 0.00 0.30 0.46 0.78 -2.23 0.00 0.00 178.31 177.61 2aj9 h GLY 126 N 0.44 1.12 0.90 2.40 0.00 -1.84 -0.56 103.07 105.53 2aj9 h GLY 126 Ca 0.12 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 2aj9 h GLY 126 CO -0.02 0.46 0.09 -0.97 0.00 0.00 0.00 176.54 176.10 2aj9 h TYR 127 N 1.05 0.37 -0.97 5.60 -1.99 -1.56 -1.27 116.97 118.20 2aj9 h TYR 127 Ca 0.28 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.98 2aj9 h TYR 127 Cb -0.03 -0.11 -0.05 0.00 2.00 0.00 0.00 36.73 38.55 2aj9 h TYR 127 CO -0.01 0.39 0.61 0.00 -0.00 0.00 0.00 178.16 179.16 2aj9 h ALA 128 N 0.93 1.23 -0.18 3.88 0.00 -1.00 0.16 119.26 124.29 2aj9 h ALA 128 Ca 0.08 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2aj9 h ALA 128 Cb 0.18 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2aj9 h ALA 128 CO -0.01 0.66 0.10 1.25 0.00 0.00 0.00 179.25 181.25 2aj9 h LEU 129 N 1.33 0.22 -0.32 0.00 5.85 -0.96 0.21 115.31 121.63 2aj9 h LEU 129 Ca 0.35 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 2aj9 h LEU 129 Cb -0.11 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 2aj9 h LEU 129 CO -0.07 0.24 0.11 1.23 -0.34 0.00 0.00 178.44 179.61 2aj9 h GLY 130 N 0.18 0.54 0.59 3.75 0.00 -0.82 -0.86 103.07 106.44 2aj9 h GLY 130 Ca 0.06 -0.31 0.08 0.00 0.00 0.00 0.00 47.33 47.16 2aj9 h GLY 130 CO -0.01 0.29 0.41 0.00 0.00 0.00 0.00 176.54 177.23 2aj9 h ALA 131 N 0.95 1.02 -0.18 3.60 0.00 -0.51 0.39 119.26 124.52 2aj9 h ALA 131 Ca 0.11 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2aj9 h ALA 131 Cb 0.23 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2aj9 h ALA 131 CO -0.00 0.06 0.06 0.00 0.00 0.00 0.00 179.25 179.37 2aj9 h ALA 132 N 1.40 0.24 -0.75 0.00 0.00 -0.31 -0.76 119.26 119.08 2aj9 h ALA 132 Ca 0.35 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.19 2aj9 h ALA 132 Cb 0.28 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 2aj9 h ALA 132 CO -0.22 -0.15 0.44 0.00 0.00 0.00 0.00 179.25 179.32 2aj9 h ALA 133 N 0.89 1.01 -0.62 0.00 0.00 -0.94 -0.23 119.26 119.37 2aj9 h ALA 133 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2aj9 h ALA 133 Cb 0.22 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2aj9 h ALA 133 CO -0.00 0.15 0.16 -0.44 0.00 0.00 0.00 179.25 179.12 2aj9 h ASP 134 N 0.81 0.93 -0.21 0.00 3.32 -0.66 -0.70 116.42 119.91 2aj9 h ASP 134 Ca 0.33 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 2aj9 h ASP 134 Cb 0.18 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 2aj9 h ASP 134 CO -0.18 0.92 0.11 -0.03 -1.72 0.00 0.00 179.24 178.34 2aj9 h MET 135 N 0.91 0.30 -0.18 3.56 4.05 -0.73 -0.85 114.93 121.98 2aj9 h MET 135 Ca 0.20 -0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.59 2aj9 h MET 135 Cb 0.34 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.07 2aj9 h MET 135 CO -0.00 0.29 0.10 0.82 0.23 0.00 0.00 176.91 178.35 2aj9 h ILE 136 N 0.23 1.02 -0.46 1.77 2.04 -0.75 -0.76 117.51 120.60 2aj9 h ILE 136 Ca 0.07 -0.07 -0.07 0.00 1.00 0.00 0.00 64.86 65.79 2aj9 h ILE 136 Cb 0.08 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 2aj9 h ILE 136 CO -0.01 0.04 0.01 0.03 0.00 0.00 0.00 178.15 178.22 2aj9 h ARG 137 N 0.22 0.74 0.00 2.37 3.08 -1.12 -1.13 114.38 118.53 2aj9 h ARG 137 Ca 0.07 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.93 2aj9 h ARG 137 Cb -0.01 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 29.95 2aj9 h ARG 137 CO -0.03 0.74 0.00 0.41 -1.07 0.00 0.00 179.97 180.02 2aj9 n GLY 138 N -0.71 -0.78 2.03 0.04 0.00 -0.33 -2.44 105.19 103.00 2aj9 n GLY 138 Ca 0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 46.02 45.96 2aj9 n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aj9 n GLY 139 N 0.06 0.47 0.08 -0.02 0.00 -0.43 -3.74 105.19 101.61 2aj9 n GLY 139 Ca 0.08 -0.39 0.13 0.00 0.00 0.00 0.00 46.02 45.84 2aj9 n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aj9 n GLY 140 N -2.87 -1.10 3.59 -0.02 0.00 -0.39 -4.81 105.19 99.59 2aj9 n GLY 140 Ca -0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 46.02 45.70 2aj9 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aj9 s ALA 141 N -2.72 -1.90 -0.11 4.61 0.00 -1.24 -4.95 121.76 115.44 2aj9 s ALA 141 Ca 0.21 0.91 -0.04 0.00 0.00 0.00 0.00 51.96 53.04 2aj9 s ALA 141 Cb 0.19 0.34 -0.05 0.00 0.00 0.00 0.00 23.12 23.59 2aj9 s ALA 141 CO 0.55 -0.79 -0.13 0.00 0.00 0.00 0.00 175.76 175.39 2aj9 n ALA 142 N -0.29 2.16 -3.23 0.00 0.00 -1.26 -4.17 120.51 113.72 2aj9 n ALA 142 Ca -0.06 -0.44 -0.23 0.00 0.00 0.00 0.00 53.44 52.71 2aj9 n ALA 142 Cb 0.61 0.33 -0.16 0.00 0.00 0.00 0.00 19.45 20.23 2aj9 n ALA 142 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2aj9 s THR 143 N -2.20 1.04 0.12 0.00 2.01 -1.26 -4.14 115.64 111.21 2aj9 s THR 143 Ca -0.15 -0.46 0.02 0.00 0.31 0.00 0.00 61.69 61.41 2aj9 s THR 143 Cb 0.05 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.58 2aj9 s THR 143 CO 0.21 0.32 -0.06 -0.04 -0.69 0.00 0.00 174.62 174.36 2aj9 s MET 144 N 0.41 0.92 -0.25 4.92 -1.94 -0.05 -0.23 119.30 123.09 2aj9 s MET 144 Ca -0.09 -1.39 -0.04 0.00 -1.71 0.00 0.00 55.69 52.46 2aj9 s MET 144 Cb -0.13 -0.31 0.00 0.00 2.01 0.00 0.00 34.83 36.40 2aj9 s MET 144 CO 0.02 -0.01 -0.01 -0.51 -0.01 0.00 0.00 175.02 174.50 2aj9 s LEU 145 N -3.09 3.23 -0.25 -0.03 1.43 -0.27 -0.64 118.68 119.07 2aj9 s LEU 145 Ca 0.15 -0.55 -0.05 0.00 -1.03 0.00 0.00 54.13 52.65 2aj9 s LEU 145 Cb 0.05 -1.77 -0.00 0.00 0.03 0.00 0.00 46.19 44.49 2aj9 s LEU 145 CO -0.02 -0.08 -0.00 -0.69 0.23 0.00 0.00 176.35 175.78 2aj9 s VAL 146 N 1.47 3.56 -0.09 -1.59 1.01 -0.80 -0.36 120.40 123.59 2aj9 s VAL 146 Ca 0.04 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.47 2aj9 s VAL 146 Cb -0.15 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.52 2aj9 s VAL 146 CO -0.02 0.29 -0.22 0.54 0.00 0.00 0.00 175.10 175.70 2aj9 s VAL 147 N 1.48 1.90 -0.24 2.92 0.11 -0.78 -0.67 120.40 125.12 2aj9 s VAL 147 Ca 0.04 -0.93 -0.09 0.00 -2.93 0.00 0.00 61.98 58.07 2aj9 s VAL 147 Cb -0.15 -1.65 -0.04 0.00 -1.53 0.00 0.00 36.38 33.00 2aj9 s VAL 147 CO -0.01 0.53 0.13 -0.83 -3.33 0.00 0.00 175.10 171.58 2aj9 s GLY 148 N 0.40 1.91 -0.02 6.54 0.00 -0.09 -1.24 107.32 114.82 2aj9 s GLY 148 Ca -0.18 -0.97 0.03 0.00 0.00 0.00 0.00 44.72 43.60 2aj9 s GLY 148 CO 0.08 0.44 -0.10 -1.08 0.00 0.00 0.00 173.10 172.43 2aj9 s THR 149 N 1.25 0.86 -0.03 0.90 -1.32 -0.95 -0.67 115.64 115.68 2aj9 s THR 149 Ca 0.06 -0.44 -0.05 0.00 -1.21 0.00 0.00 61.69 60.06 2aj9 s THR 149 Cb -0.14 -0.73 0.01 0.00 -1.51 0.00 0.00 72.50 70.12 2aj9 s THR 149 CO 0.05 0.25 0.12 -1.61 -2.21 0.00 0.00 174.62 171.23 2aj9 s GLU 150 N -0.07 0.24 -0.49 7.08 0.41 -0.30 -4.43 118.70 121.14 2aj9 s GLU 150 Ca 0.01 0.00 0.08 0.00 -0.41 0.00 0.00 54.97 54.65 2aj9 s GLU 150 Cb -0.06 0.11 0.27 0.00 -1.78 0.00 0.00 34.13 32.67 2aj9 s GLU 150 CO 0.00 -0.04 0.67 1.17 -0.49 0.00 0.00 175.26 176.57 2aj9 n LYS 151 N 2.57 1.61 0.17 1.61 4.81 -1.26 -1.35 118.16 126.32 2aj9 n LYS 151 Ca -0.15 -3.89 0.02 0.00 -0.87 0.00 0.00 58.31 53.42 2aj9 n LYS 151 Cb 0.58 -1.73 0.31 0.00 0.02 0.00 0.00 35.03 34.21 2aj9 n LYS 151 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2aj9 h LEU 152 N 3.81 0.00 -0.90 3.14 3.38 -1.94 -3.35 115.31 119.45 2aj9 h LEU 152 Ca 0.12 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.23 2aj9 h LEU 152 Cb 0.78 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.39 2aj9 h LEU 152 CO 0.63 0.44 -0.37 -1.20 0.09 0.00 0.00 178.44 178.03 2aj9 n SER 153 N -3.92 -0.62 0.24 -0.43 7.64 -1.26 0.11 113.62 115.39 2aj9 n SER 153 Ca -0.01 1.57 0.16 0.00 1.01 0.00 0.00 58.87 61.59 2aj9 n SER 153 Cb 0.48 -0.34 0.86 0.00 -1.01 0.00 0.00 64.21 64.19 2aj9 n SER 153 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2aj9 h PRO 154 N 0.00 0.00 -0.56 1.43 0.11 -1.97 -1.61 132.00 129.40 2aj9 h PRO 154 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.41 2aj9 h PRO 154 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 2aj9 h PRO 154 CO -0.89 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.15 2aj9 n THR 155 N -2.62 1.10 -3.54 -1.15 -2.24 0.12 -4.98 114.28 100.97 2aj9 n THR 155 Ca -0.02 -1.04 -0.37 0.00 -2.27 0.00 0.00 64.05 60.36 2aj9 n THR 155 Cb 0.07 0.45 -0.06 0.00 -2.10 0.00 0.00 70.33 68.70 2aj9 n THR 155 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2aj9 s ILE 156 N -1.11 5.07 -0.57 2.28 1.01 -0.61 -1.41 121.20 125.86 2aj9 s ILE 156 Ca 0.38 0.66 -0.12 0.00 0.00 0.00 0.00 60.65 61.57 2aj9 s ILE 156 Cb 0.21 -3.67 0.14 0.00 0.01 0.00 0.00 42.46 39.15 2aj9 s ILE 156 CO 0.25 0.46 0.49 -0.62 0.00 0.00 0.00 174.94 175.51 2aj9 s ASP 157 N -1.37 6.06 0.64 3.58 2.15 -1.26 -4.93 116.67 121.54 2aj9 s ASP 157 Ca 0.27 -2.06 0.19 0.00 0.43 0.00 0.00 52.55 51.38 2aj9 s ASP 157 Cb -0.15 -2.12 0.90 0.00 -0.30 0.00 0.00 42.92 41.25 2aj9 s ASP 157 CO 0.15 -0.72 1.47 0.24 -0.17 0.00 0.00 175.17 176.14 2aj9 h MET 158 N 8.42 0.00 -0.16 4.34 2.86 -1.96 0.46 114.93 128.89 2aj9 h MET 158 Ca -0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 2aj9 h MET 158 Cb 1.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.73 2aj9 h MET 158 CO 0.91 0.00 0.00 0.66 1.06 0.00 0.00 176.91 179.54 2aj9 n TYR 159 N -2.95 0.19 -3.10 -0.22 0.53 -1.26 -4.46 117.16 105.89 2aj9 n TYR 159 Ca 0.05 -0.10 -0.45 0.00 -1.02 0.00 0.00 57.90 56.38 2aj9 n TYR 159 Cb 0.87 0.00 -0.03 0.00 -1.03 0.00 0.00 39.34 39.14 2aj9 n TYR 159 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 2aj9 s ASP 160 N -1.72 6.48 0.00 7.72 2.15 0.16 -4.91 116.67 126.56 2aj9 s ASP 160 Ca 0.34 -1.96 0.02 0.00 0.43 0.00 0.00 52.55 51.38 2aj9 s ASP 160 Cb 0.20 -2.31 0.11 0.00 -0.30 0.00 0.00 42.92 40.61 2aj9 s ASP 160 CO 0.30 -0.96 0.40 0.00 -0.17 0.00 0.00 175.17 174.73 2aj9 n ALA 161 N 5.81 1.62 0.52 3.66 0.00 -1.26 -1.50 120.51 129.37 2aj9 n ALA 161 Ca 0.08 -0.01 0.05 0.00 0.00 0.00 0.00 53.44 53.56 2aj9 n ALA 161 Cb 0.46 -1.03 -0.05 0.00 0.00 0.00 0.00 19.45 18.83 2aj9 n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aj9 n GLY 162 N -0.58 -0.06 0.12 0.00 0.00 -1.26 -4.78 105.19 98.63 2aj9 n GLY 162 Ca 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2aj9 n GLY 162 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2aj9 n ASN 163 N -1.06 0.00 0.00 1.61 0.23 -1.12 -4.80 115.26 110.12 2aj9 n ASN 163 Ca 0.03 -0.68 0.13 0.00 -0.53 0.00 0.00 54.58 53.52 2aj9 n ASN 163 Cb 0.19 0.00 0.63 0.00 -2.08 0.00 0.00 39.78 38.52 2aj9 n ASN 163 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2aj9 n PHE 165 N -1.32 0.01 -0.11 0.00 -1.74 -1.26 -4.77 117.46 108.27 2aj9 n PHE 165 Ca 0.11 -0.24 -0.24 0.00 -0.56 0.00 0.00 57.45 56.52 2aj9 n PHE 165 Cb 0.22 -0.02 -0.11 0.00 1.52 0.00 0.00 39.48 41.08 2aj9 n PHE 165 CO 0.00 0.00 0.00 -0.89 -0.56 0.00 0.00 176.76 175.31 2aj9 n ILE 166 N -0.21 1.56 -2.73 1.97 5.41 -1.17 -4.92 119.36 119.27 2aj9 n ILE 166 Ca 0.00 -0.36 -0.40 0.00 1.00 0.00 0.00 62.75 63.00 2aj9 n ILE 166 Cb 0.13 -1.82 -0.06 0.00 -0.71 0.00 0.00 39.64 37.18 2aj9 n ILE 166 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 2aj9 s PHE 167 N -2.48 3.94 0.17 1.39 0.08 -1.25 0.12 117.98 119.94 2aj9 s PHE 167 Ca -0.33 1.89 -0.05 0.00 0.12 0.00 0.00 56.93 58.56 2aj9 s PHE 167 Cb 0.10 -3.00 -0.03 0.00 -0.57 0.00 0.00 43.02 39.52 2aj9 s PHE 167 CO 0.58 0.36 0.20 0.00 -0.10 0.00 0.00 175.22 176.25 2aj9 s ALA 168 N -1.21 0.54 0.40 5.36 0.00 0.48 -4.79 121.76 122.54 2aj9 s ALA 168 Ca 0.42 -1.28 0.01 0.00 0.00 0.00 0.00 51.96 51.11 2aj9 s ALA 168 Cb -0.26 1.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.88 2aj9 s ALA 168 CO 0.32 -0.61 0.60 -0.51 0.00 0.00 0.00 175.76 175.57 2aj9 s ASP 169 N -3.05 6.06 0.00 0.00 1.01 -1.02 -4.16 116.67 115.51 2aj9 s ASP 169 Ca 0.26 0.34 0.00 0.00 0.71 0.00 0.00 52.55 53.86 2aj9 s ASP 169 Cb 0.05 -1.75 0.00 0.00 1.01 0.00 0.00 42.92 42.23 2aj9 s ASP 169 CO 0.05 -0.50 0.00 0.61 0.21 0.00 0.00 175.17 175.54 2aj9 n GLY 170 N -1.92 -2.05 3.56 0.21 0.00 -0.46 -4.63 105.19 99.89 2aj9 n GLY 170 Ca -0.02 -1.19 -0.07 0.00 0.00 0.00 0.00 46.02 44.74 2aj9 n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aj9 s ALA 171 N -1.66 -1.80 -0.28 4.61 0.00 -0.66 -1.15 121.76 120.82 2aj9 s ALA 171 Ca 0.00 0.84 -0.25 0.00 0.00 0.00 0.00 51.96 52.55 2aj9 s ALA 171 Cb 0.00 0.45 0.13 0.00 0.00 0.00 0.00 23.12 23.70 2aj9 s ALA 171 CO 0.00 -0.76 1.08 0.00 0.00 0.00 0.00 175.76 176.08 2aj9 s ALA 172 N -3.13 -2.00 0.18 0.00 0.00 0.16 -0.66 121.76 116.30 2aj9 s ALA 172 Ca 0.07 1.85 0.06 0.00 0.00 0.00 0.00 51.96 53.94 2aj9 s ALA 172 Cb -0.01 -1.47 -0.05 0.00 0.00 0.00 0.00 23.12 21.59 2aj9 s ALA 172 CO -0.07 -0.22 -0.11 0.00 0.00 0.00 0.00 175.76 175.36 2aj9 s ALA 173 N 0.19 1.74 0.06 0.00 0.00 0.14 -0.91 121.76 122.99 2aj9 s ALA 173 Ca 0.04 -1.59 0.03 0.00 0.00 0.00 0.00 51.96 50.43 2aj9 s ALA 173 Cb -0.05 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 2aj9 s ALA 173 CO -0.07 -0.04 -0.09 0.14 0.00 0.00 0.00 175.76 175.69 2aj9 s VAL 174 N -3.18 0.74 -0.17 0.00 -7.23 0.15 -0.68 120.40 110.02 2aj9 s VAL 174 Ca 0.20 -1.33 -0.07 0.00 -1.81 0.00 0.00 61.98 58.97 2aj9 s VAL 174 Cb 0.01 -0.96 -0.04 0.00 0.56 0.00 0.00 36.38 35.95 2aj9 s VAL 174 CO 0.04 -0.45 0.07 -0.69 -0.31 0.00 0.00 175.10 173.77 2aj9 s VAL 175 N -1.83 4.89 -0.11 1.32 1.01 -1.11 -1.91 120.40 122.67 2aj9 s VAL 175 Ca -0.03 -0.00 0.02 0.00 0.00 0.00 0.00 61.98 61.97 2aj9 s VAL 175 Cb -0.07 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.11 2aj9 s VAL 175 CO 0.00 0.49 -0.18 -0.69 0.00 0.00 0.00 175.10 174.72 2aj9 s VAL 176 N 0.13 2.67 0.00 2.92 1.01 0.19 0.07 120.40 127.39 2aj9 s VAL 176 Ca 0.05 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.22 2aj9 s VAL 176 Cb -0.12 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.19 2aj9 s VAL 176 CO 0.00 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.26 2aj9 n GLY 177 N 3.34 3.51 3.77 4.51 0.00 -0.79 -0.87 105.19 118.67 2aj9 n GLY 177 Ca -0.18 -0.99 -0.38 0.00 0.00 0.00 0.00 46.02 44.47 2aj9 n GLY 177 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2aj9 s GLU 178 N 0.59 4.63 0.05 1.61 -1.05 -1.26 -0.52 118.70 122.75 2aj9 s GLU 178 Ca 0.00 1.30 -0.00 0.00 -0.15 0.00 0.00 54.97 56.12 2aj9 s GLU 178 Cb 0.00 -3.01 -0.04 0.00 -0.44 0.00 0.00 34.13 30.64 2aj9 s GLU 178 CO 0.00 0.40 -0.04 0.95 0.95 0.00 0.00 175.26 177.52 2aj9 s THR 179 N -1.42 0.31 0.21 1.83 -4.23 -0.66 -4.77 115.64 106.92 2aj9 s THR 179 Ca 0.45 -1.65 -0.11 0.00 -1.18 0.00 0.00 61.69 59.19 2aj9 s THR 179 Cb -0.21 -1.30 0.17 0.00 1.34 0.00 0.00 72.50 72.50 2aj9 s THR 179 CO 0.26 -0.86 1.68 -0.65 -0.54 0.00 0.00 174.62 174.51 2aj9 h PRO 180 N 3.42 0.15 -6.08 3.99 0.11 -1.96 -3.42 132.00 128.21 2aj9 h PRO 180 Ca -0.34 -0.01 -0.55 0.00 0.11 0.00 0.00 66.00 65.21 2aj9 h PRO 180 Cb 1.16 -0.03 -0.17 0.00 0.11 0.00 0.00 31.00 32.06 2aj9 h PRO 180 CO 0.60 0.10 -0.78 -0.59 -0.21 0.00 0.00 178.00 177.12 2aj9 s PHE 181 N -6.14 1.96 -0.01 0.65 -0.12 -1.26 -5.03 117.98 108.03 2aj9 s PHE 181 Ca -0.13 -0.44 -0.37 0.00 -0.05 0.00 0.00 56.93 55.94 2aj9 s PHE 181 Cb 0.18 -0.96 -0.15 0.00 -0.63 0.00 0.00 43.02 41.46 2aj9 s PHE 181 CO 0.73 0.41 1.57 0.94 -0.05 0.00 0.00 175.22 178.83 2aj9 n GLN 182 N 0.13 1.52 0.00 1.99 -0.06 -1.26 -4.67 117.38 115.04 2aj9 n GLN 182 Ca -0.12 0.55 0.02 0.00 -2.00 0.00 0.00 57.00 55.46 2aj9 n GLN 182 Cb 0.57 -2.26 0.01 0.00 -4.06 0.00 0.00 30.24 24.50 2aj9 n GLN 182 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2aj9 n GLY 183 N 3.40 -0.70 2.69 1.69 0.00 0.47 -4.87 105.19 107.86 2aj9 n GLY 183 Ca 0.21 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 2aj9 n GLY 183 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aj9 s ILE 184 N -0.59 0.06 0.85 -0.61 1.01 -0.98 -1.70 121.20 119.23 2aj9 s ILE 184 Ca 0.05 0.14 -0.13 0.00 0.00 0.00 0.00 60.65 60.71 2aj9 s ILE 184 Cb 0.04 -0.41 0.11 0.00 0.01 0.00 0.00 42.46 42.21 2aj9 s ILE 184 CO 0.08 0.06 1.21 -0.83 0.00 0.00 0.00 174.94 175.46 2aj9 s GLY 185 N 2.09 1.63 0.57 6.18 0.00 0.25 -4.93 107.32 113.11 2aj9 s GLY 185 Ca 0.04 -0.76 -0.20 0.00 0.00 0.00 0.00 44.72 43.79 2aj9 s GLY 185 CO -0.05 -0.21 1.19 -1.55 0.00 0.00 0.00 173.10 172.48 2aj9 n PRO 186 N -3.43 1.30 -3.00 2.90 -0.04 -1.26 -4.70 135.00 126.78 2aj9 n PRO 186 Ca 0.09 0.49 -0.39 0.00 -0.04 0.00 0.00 63.50 63.65 2aj9 n PRO 186 Cb 0.61 -2.39 -0.06 0.00 -0.04 0.00 0.00 33.50 31.62 2aj9 n PRO 186 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2aj9 s THR 187 N -1.38 4.39 -0.13 0.52 2.01 -1.26 -4.65 115.64 115.15 2aj9 s THR 187 Ca 0.74 1.68 0.00 0.00 0.31 0.00 0.00 61.69 64.42 2aj9 s THR 187 Cb -0.42 -4.13 0.02 0.00 0.01 0.00 0.00 72.50 67.98 2aj9 s THR 187 CO 0.48 0.52 -0.12 0.54 -0.69 0.00 0.00 174.62 175.35 2aj9 s VAL 188 N -1.12 1.36 0.33 3.82 0.11 0.09 -4.99 120.40 120.00 2aj9 s VAL 188 Ca 0.35 -0.51 0.03 0.00 -2.93 0.00 0.00 61.98 58.92 2aj9 s VAL 188 Cb -0.23 -1.30 -0.02 0.00 -1.53 0.00 0.00 36.38 33.31 2aj9 s VAL 188 CO 0.26 0.42 0.35 0.00 -3.33 0.00 0.00 175.10 172.80 2aj9 s ALA 189 N 1.44 1.42 0.00 1.54 0.00 -1.26 -0.09 121.76 124.81 2aj9 s ALA 189 Ca 0.02 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.13 2aj9 s ALA 189 Cb -0.13 1.35 0.00 0.00 0.00 0.00 0.00 23.12 24.34 2aj9 s ALA 189 CO -0.08 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.38 2aj9 n GLY 190 N -0.58 -0.95 0.20 0.00 0.00 -0.78 -4.99 105.19 98.08 2aj9 n GLY 190 Ca 0.05 -0.88 -0.00 0.00 0.00 0.00 0.00 46.02 45.18 2aj9 n GLY 190 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2aj9 n SER 191 N 0.62 -0.09 -3.12 1.61 3.41 -1.26 -1.65 113.62 113.13 2aj9 n SER 191 Ca 0.00 -1.05 -0.07 0.00 -0.26 0.00 0.00 58.87 57.49 2aj9 n SER 191 Cb 0.00 0.15 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 2aj9 n SER 191 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2aj9 s ASP 192 N -1.12 -0.69 0.32 4.04 3.68 0.12 -4.93 116.67 118.09 2aj9 s ASP 192 Ca 0.01 -1.44 0.02 0.00 2.13 0.00 0.00 52.55 53.27 2aj9 s ASP 192 Cb -0.00 1.45 0.59 0.00 -1.45 0.00 0.00 42.92 43.50 2aj9 s ASP 192 CO 0.00 -0.15 1.94 1.23 0.13 0.00 0.00 175.17 178.32 2aj9 h GLY 193 N 6.28 1.17 1.80 2.66 0.00 -1.79 -1.91 103.07 111.29 2aj9 h GLY 193 Ca 0.07 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2aj9 h GLY 193 CO 0.12 0.29 0.07 1.18 0.00 0.00 0.00 176.54 178.20 2aj9 n GLU 194 N -4.47 0.13 -0.36 4.80 1.02 -1.26 -0.63 120.64 119.87 2aj9 n GLU 194 Ca 0.12 0.63 0.09 0.00 -0.02 0.00 0.00 57.16 57.97 2aj9 n GLU 194 Cb 0.18 -2.00 0.23 0.00 -0.02 0.00 0.00 31.44 29.83 2aj9 n GLU 194 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2aj9 n GLN 195 N -2.22 2.65 -0.36 3.49 6.02 -0.72 -4.74 117.38 121.50 2aj9 n GLN 195 Ca -0.01 -2.74 0.29 0.00 -0.01 0.00 0.00 57.00 54.53 2aj9 n GLN 195 Cb 0.10 -1.74 0.55 0.00 1.02 0.00 0.00 30.24 30.17 2aj9 n GLN 195 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2aj9 h ALA 196 N 1.49 2.23 0.00 -1.58 0.00 -0.93 0.78 119.26 121.25 2aj9 h ALA 196 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2aj9 h ALA 196 Cb 1.32 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2aj9 h ALA 196 CO 0.17 -0.87 0.00 -0.25 0.00 0.00 0.00 179.25 178.30 2aj9 n ASP 197 N -4.97 0.00 0.47 0.00 8.00 -1.26 -3.98 116.55 114.80 2aj9 n ASP 197 Ca 0.34 -1.40 -0.20 0.00 0.71 0.00 0.00 54.79 54.24 2aj9 n ASP 197 Cb 1.16 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 42.17 2aj9 n ASP 197 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2aj9 h ALA 198 N 3.32 -1.26 -3.15 2.24 0.00 -1.19 -3.40 119.26 115.82 2aj9 h ALA 198 Ca 0.00 -0.26 -0.67 0.00 0.00 0.00 0.00 54.91 53.98 2aj9 h ALA 198 Cb 0.00 0.54 -0.34 0.00 0.00 0.00 0.00 17.79 17.99 2aj9 h ALA 198 CO 0.00 -1.22 -0.83 0.42 0.00 0.00 0.00 179.25 177.62 2aj9 s ILE 199 N -5.98 2.26 0.38 0.00 1.01 -1.26 -1.43 121.20 116.20 2aj9 s ILE 199 Ca -0.19 -0.97 -0.11 0.00 0.00 0.00 0.00 60.65 59.37 2aj9 s ILE 199 Cb 0.03 -2.01 0.05 0.00 0.01 0.00 0.00 42.46 40.53 2aj9 s ILE 199 CO 0.60 0.45 0.71 -2.11 0.00 0.00 0.00 174.94 174.60 2aj9 n ARG 200 N 4.62 1.03 -3.74 2.79 1.85 -0.53 -3.88 116.66 118.80 2aj9 n ARG 200 Ca -0.20 -2.38 -0.38 0.00 -1.00 0.00 0.00 57.85 53.90 2aj9 n ARG 200 Cb 0.49 2.76 -0.12 0.00 -1.05 0.00 0.00 32.46 34.54 2aj9 n ARG 200 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 2aj9 s GLN 201 N -2.27 2.57 0.28 2.89 0.74 -1.26 -1.17 119.66 121.43 2aj9 s GLN 201 Ca 0.19 -1.27 -0.07 0.00 0.05 0.00 0.00 55.36 54.26 2aj9 s GLN 201 Cb -0.04 -3.50 0.48 0.00 1.10 0.00 0.00 33.01 31.05 2aj9 s GLN 201 CO 0.14 -0.73 1.56 0.38 -0.55 0.00 0.00 175.29 176.09 2aj9 h ASP 202 N 8.22 -0.88 -3.68 6.67 3.04 -1.88 -3.40 116.42 124.51 2aj9 h ASP 202 Ca -0.22 0.29 -0.66 0.00 -3.24 0.00 0.00 57.03 53.20 2aj9 h ASP 202 Cb 1.08 0.60 -0.32 0.00 -1.04 0.00 0.00 39.33 39.65 2aj9 h ASP 202 CO 0.63 -0.33 -0.87 -0.63 -2.04 0.00 0.00 179.24 176.00 2aj9 s ILE 203 N -6.24 1.93 0.49 4.15 1.01 -1.26 -5.05 121.20 116.23 2aj9 s ILE 203 Ca -0.15 -0.97 -0.23 0.00 0.00 0.00 0.00 60.65 59.31 2aj9 s ILE 203 Cb 0.27 -1.65 -0.06 0.00 0.01 0.00 0.00 42.46 41.02 2aj9 s ILE 203 CO 0.78 0.53 1.24 1.51 0.00 0.00 0.00 174.94 179.00 2aj9 s ASP 204 N 0.12 5.83 0.59 3.58 1.47 -1.26 -4.70 116.67 122.30 2aj9 s ASP 204 Ca -0.11 2.49 0.29 0.00 1.18 0.00 0.00 52.55 56.40 2aj9 s ASP 204 Cb -0.15 -2.62 1.73 0.00 -0.34 0.00 0.00 42.92 41.54 2aj9 s ASP 204 CO 0.06 -1.16 2.16 -0.50 0.68 0.00 0.00 175.17 176.40 2aj9 h TRP 205 N 1.83 0.00 0.11 2.11 4.06 -1.99 -1.98 115.95 120.10 2aj9 h TRP 205 Ca -0.50 0.00 -0.27 0.00 2.06 0.00 0.00 58.89 60.18 2aj9 h TRP 205 Cb 1.27 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.43 2aj9 h TRP 205 CO 0.50 0.00 -1.23 0.82 -3.56 0.00 0.00 178.44 174.97 2aj9 h ILE 206 N 0.00 1.50 -0.47 1.49 1.08 -1.98 -1.13 117.51 118.00 2aj9 h ILE 206 Ca 0.05 -3.09 -0.13 0.00 -0.39 0.00 0.00 64.86 61.30 2aj9 h ILE 206 Cb 0.30 2.92 -0.01 0.00 -3.07 0.00 0.00 36.82 36.95 2aj9 h ILE 206 CO -0.00 0.90 -0.22 0.74 -0.69 0.00 0.00 178.15 178.88 2aj9 h THR 207 N 0.06 1.27 -0.20 -0.27 2.02 -1.79 -2.46 112.91 111.53 2aj9 h THR 207 Ca -0.13 -1.38 -0.06 0.00 0.77 0.00 0.00 66.41 65.62 2aj9 h THR 207 Cb 1.95 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 69.49 2aj9 h THR 207 CO 0.19 0.47 -0.10 0.15 0.37 0.00 0.00 175.52 176.61 2aj9 h PHE 208 N 0.83 0.49 -0.47 3.16 3.57 -1.42 -2.86 116.94 120.25 2aj9 h PHE 208 Ca 0.11 -0.12 0.14 0.00 3.53 0.00 0.00 57.97 61.62 2aj9 h PHE 208 Cb 0.79 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 2aj9 h PHE 208 CO 0.05 0.72 0.41 0.00 -2.23 0.00 0.00 178.31 177.26 2aj9 h ALA 209 N 0.70 2.27 -0.35 2.41 0.00 -1.05 0.34 119.26 123.58 2aj9 h ALA 209 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2aj9 h ALA 209 Cb 0.59 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2aj9 h ALA 209 CO 0.03 -0.65 0.00 1.04 0.00 0.00 0.00 179.25 179.67 2aj9 n GLN 210 N -4.00 2.53 -2.68 0.00 6.02 -0.94 -4.31 117.38 114.00 2aj9 n GLN 210 Ca 0.08 -1.57 -0.05 0.00 -0.01 0.00 0.00 57.00 55.45 2aj9 n GLN 210 Cb 0.61 -1.62 0.10 0.00 1.02 0.00 0.00 30.24 30.35 2aj9 n GLN 210 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2aj9 n ASN 211 N 0.50 -1.59 0.03 1.08 5.15 0.12 -5.02 115.26 115.53 2aj9 n ASN 211 Ca 0.14 -2.39 0.22 0.00 -0.60 0.00 0.00 54.58 51.96 2aj9 n ASN 211 Cb 0.55 1.34 0.69 0.00 -0.53 0.00 0.00 39.78 41.84 2aj9 n ASN 211 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2aj9 h PRO 212 N 2.54 0.00 0.00 1.20 0.11 -1.66 0.33 132.00 134.53 2aj9 h PRO 212 Ca -0.25 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.75 2aj9 h PRO 212 Cb 1.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 2aj9 h PRO 212 CO 0.03 0.00 -0.54 0.66 -0.21 0.00 0.00 178.00 177.94 2aj9 h SER 213 N 0.00 0.00 -2.74 -2.05 4.64 -1.95 -3.46 113.55 107.98 2aj9 h SER 213 Ca 0.25 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.32 2aj9 h SER 213 Cb 1.45 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 63.66 2aj9 h SER 213 CO -0.00 0.54 0.09 0.61 -0.87 0.00 0.00 176.83 177.20 2aj9 n GLY 214 N 0.68 -2.56 3.75 -0.77 0.00 0.12 -4.95 105.19 101.46 2aj9 n GLY 214 Ca 0.00 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 2aj9 n GLY 214 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2aj9 n PRO 215 N -3.60 2.68 -2.88 1.61 -0.02 -1.26 -4.99 135.00 126.54 2aj9 n PRO 215 Ca 0.10 0.95 -0.34 0.00 -2.02 0.00 0.00 63.50 62.19 2aj9 n PRO 215 Cb 0.38 -2.71 -0.07 0.00 -0.02 0.00 0.00 33.50 31.08 2aj9 n PRO 215 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2aj9 s ARG 216 N -1.02 4.26 0.33 -0.52 3.00 -1.26 -4.93 118.95 118.81 2aj9 s ARG 216 Ca 0.61 1.07 -0.28 0.00 -1.00 0.00 0.00 55.73 56.12 2aj9 s ARG 216 Cb -0.49 -2.37 -0.10 0.00 0.00 0.00 0.00 34.95 31.99 2aj9 s ARG 216 CO 0.53 0.08 1.23 -2.14 0.00 0.00 0.00 175.30 175.00 2aj9 s PRO 217 N -2.88 4.40 0.28 5.12 0.02 -1.26 -4.91 135.00 135.77 2aj9 s PRO 217 Ca 0.58 2.05 0.02 0.00 0.02 0.00 0.00 61.00 63.67 2aj9 s PRO 217 Cb -0.11 -3.05 -0.04 0.00 0.02 0.00 0.00 34.50 31.31 2aj9 s PRO 217 CO 0.16 -0.09 0.15 -0.06 -0.33 0.00 0.00 177.00 176.83 2aj9 s PHE 218 N -1.18 1.51 -0.26 6.54 2.99 -1.26 -4.96 117.98 121.36 2aj9 s PHE 218 Ca 0.49 -1.36 -0.10 0.00 0.00 0.00 0.00 56.93 55.95 2aj9 s PHE 218 Cb -0.36 -0.80 -0.05 0.00 0.00 0.00 0.00 43.02 41.81 2aj9 s PHE 218 CO 0.48 -0.54 0.16 0.54 -0.00 0.00 0.00 175.22 175.86 2aj9 s VAL 219 N -3.73 5.13 -0.12 -0.44 0.11 -0.50 -2.70 120.40 118.15 2aj9 s VAL 219 Ca 0.37 0.11 -0.03 0.00 -2.93 0.00 0.00 61.98 59.50 2aj9 s VAL 219 Cb 0.06 -3.43 -0.03 0.00 -1.53 0.00 0.00 36.38 31.45 2aj9 s VAL 219 CO 0.16 0.29 -0.02 -0.13 -3.33 0.00 0.00 175.10 172.08 2aj9 s ARG 220 N 1.55 3.37 -0.05 1.54 1.81 -0.32 -4.77 118.95 122.08 2aj9 s ARG 220 Ca 0.07 -0.46 0.06 0.00 -1.72 0.00 0.00 55.73 53.67 2aj9 s ARG 220 Cb -0.15 -2.87 -0.02 0.00 -0.45 0.00 0.00 34.95 31.46 2aj9 s ARG 220 CO 0.08 0.45 -0.23 -1.17 -0.68 0.00 0.00 175.30 173.75 2aj9 s LEU 221 N -0.19 2.20 -0.98 2.53 1.98 -1.26 -1.45 118.68 121.51 2aj9 s LEU 221 Ca 0.04 -0.44 -0.01 0.00 -2.89 0.00 0.00 54.13 50.83 2aj9 s LEU 221 Cb -0.13 -1.41 0.31 0.00 0.66 0.00 0.00 46.19 45.62 2aj9 s LEU 221 CO 0.02 0.27 1.46 -0.62 -1.89 0.00 0.00 176.35 175.59 2aj9 n GLU 222 N 2.77 4.45 -0.27 1.98 -0.58 -0.51 -4.87 120.64 123.60 2aj9 n GLU 222 Ca -0.17 -4.63 -0.01 0.00 -0.42 0.00 0.00 57.16 51.93 2aj9 n GLU 222 Cb 0.52 -2.45 0.02 0.00 -0.57 0.00 0.00 31.44 28.96 2aj9 n GLU 222 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2aj9 n GLY 223 N 0.77 -1.47 0.47 0.62 0.00 -1.26 -1.72 105.19 102.59 2aj9 n GLY 223 Ca 0.33 0.79 -0.16 0.00 0.00 0.00 0.00 46.02 46.97 2aj9 n GLY 223 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2aj9 h PRO 224 N 0.00 -0.70 -0.63 1.61 0.11 -1.99 0.25 132.00 130.65 2aj9 h PRO 224 Ca 0.23 0.05 0.12 0.00 0.11 0.00 0.00 66.00 66.51 2aj9 h PRO 224 Cb 0.41 0.16 -0.09 0.00 0.11 0.00 0.00 31.00 31.59 2aj9 h PRO 224 CO -0.69 -0.47 0.15 0.00 -0.21 0.00 0.00 178.00 176.78 2aj9 h ALA 225 N -0.44 0.76 -0.53 -0.75 0.00 -1.76 0.03 119.26 116.57 2aj9 h ALA 225 Ca 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2aj9 h ALA 225 Cb 0.75 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2aj9 h ALA 225 CO -0.29 -0.30 0.20 0.28 0.00 0.00 0.00 179.25 179.14 2aj9 h VAL 226 N 0.28 1.22 0.04 0.00 2.07 -1.11 -1.77 116.25 116.98 2aj9 h VAL 226 Ca 0.33 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 67.16 2aj9 h VAL 226 Cb 0.50 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2aj9 h VAL 226 CO -0.41 0.26 -0.03 0.15 0.02 0.00 0.00 177.57 177.56 2aj9 h PHE 227 N 0.71 -0.08 -0.07 1.57 3.57 0.54 0.16 116.94 123.34 2aj9 h PHE 227 Ca 0.17 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 2aj9 h PHE 227 Cb 0.22 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 2aj9 h PHE 227 CO 0.01 -0.05 -0.16 -0.09 -2.23 0.00 0.00 178.31 175.79 2aj9 h ARG 228 N -0.08 0.11 0.26 1.11 2.43 -0.93 -1.26 114.38 116.03 2aj9 h ARG 228 Ca 0.00 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2aj9 h ARG 228 Cb 0.07 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 2aj9 h ARG 228 CO -0.01 0.27 -0.13 2.35 -1.51 0.00 0.00 179.97 180.94 2aj9 h TRP 229 N 0.10 -0.33 0.39 2.20 7.01 -0.85 -3.17 115.95 121.30 2aj9 h TRP 229 Ca 0.02 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.01 2aj9 h TRP 229 Cb 0.34 0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.48 2aj9 h TRP 229 CO 0.00 -0.21 -0.51 0.00 -2.79 0.00 0.00 178.44 174.94 2aj9 h ALA 230 N -1.17 -1.11 -0.87 2.65 0.00 -0.69 -0.39 119.26 117.69 2aj9 h ALA 230 Ca -0.04 -0.17 0.23 0.00 0.00 0.00 0.00 54.91 54.94 2aj9 h ALA 230 Cb 0.27 0.78 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 2aj9 h ALA 230 CO 0.06 -1.17 0.61 0.00 0.00 0.00 0.00 179.25 178.75 2aj9 h ALA 231 N -0.82 2.56 -0.02 0.00 0.00 -1.41 -1.41 119.26 118.16 2aj9 h ALA 231 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2aj9 h ALA 231 Cb 0.83 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2aj9 h ALA 231 CO -0.13 -0.82 0.00 1.19 0.00 0.00 0.00 179.25 179.49 2aj9 n PHE 232 N -4.38 0.03 -0.00 0.00 3.72 -1.12 -4.65 117.46 111.06 2aj9 n PHE 232 Ca 0.18 -0.40 -0.00 0.00 -0.05 0.00 0.00 57.45 57.19 2aj9 n PHE 232 Cb 0.83 -0.04 -0.00 0.00 -0.94 0.00 0.00 39.48 39.33 2aj9 n PHE 232 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2aj9 n LYS 233 N -0.31 3.37 0.00 -1.08 5.02 -0.17 -4.46 118.16 120.52 2aj9 n LYS 233 Ca 0.01 -0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.37 2aj9 n LYS 233 Cb 0.22 -1.01 0.35 0.00 -0.02 0.00 0.00 35.03 34.57 2aj9 n LYS 233 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2aj9 n MET 234 N -1.94 0.21 -0.03 1.97 2.81 -0.56 -2.75 117.12 116.84 2aj9 n MET 234 Ca -0.00 0.14 -0.15 0.00 -1.81 0.00 0.00 57.70 55.88 2aj9 n MET 234 Cb 0.44 -1.50 -0.10 0.00 -0.71 0.00 0.00 33.22 31.35 2aj9 n MET 234 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 2aj9 h GLY 235 N 2.27 0.33 1.63 3.03 0.00 -1.80 -1.55 103.07 106.98 2aj9 h GLY 235 Ca 0.00 -0.48 -0.10 0.00 0.00 0.00 0.00 47.33 46.76 2aj9 h GLY 235 CO 0.00 0.42 -0.27 -0.55 0.00 0.00 0.00 176.54 176.14 2aj9 h ASP 236 N -0.23 0.44 -0.12 0.19 3.45 -1.81 -1.48 116.42 116.85 2aj9 h ASP 236 Ca -0.02 -0.15 -0.00 0.00 0.43 0.00 0.00 57.03 57.29 2aj9 h ASP 236 Cb 0.98 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 39.62 2aj9 h ASP 236 CO 0.06 0.70 0.07 0.58 -1.57 0.00 0.00 179.24 179.09 2aj9 h VAL 237 N 0.38 1.07 -0.76 -1.35 2.07 -1.54 0.27 116.25 116.39 2aj9 h VAL 237 Ca 0.05 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.42 2aj9 h VAL 237 Cb 0.68 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 2aj9 h VAL 237 CO 0.05 0.06 0.49 1.23 0.02 0.00 0.00 177.57 179.42 2aj9 h GLY 238 N 0.12 1.08 1.66 2.17 0.00 -0.87 -0.25 103.07 106.98 2aj9 h GLY 238 Ca 0.04 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 2aj9 h GLY 238 CO -0.01 0.35 -0.10 3.21 0.00 0.00 0.00 176.54 179.99 2aj9 h ARG 239 N 0.98 0.42 -0.11 4.80 3.08 -0.97 -1.07 114.38 121.50 2aj9 h ARG 239 Ca 0.29 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 2aj9 h ARG 239 Cb -0.05 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 2aj9 h ARG 239 CO -0.09 0.53 0.04 0.00 -1.07 0.00 0.00 179.97 179.38 2aj9 h ARG 240 N 0.39 0.17 -0.87 0.04 3.08 0.15 -0.60 114.38 116.74 2aj9 h ARG 240 Ca 0.08 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.11 2aj9 h ARG 240 Cb 0.43 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.40 2aj9 h ARG 240 CO 0.02 0.29 0.57 0.00 -1.07 0.00 0.00 179.97 179.79 2aj9 h ALA 241 N 0.87 1.13 -0.21 0.04 0.00 -0.59 -0.01 119.26 120.48 2aj9 h ALA 241 Ca 0.04 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 2aj9 h ALA 241 Cb 0.19 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2aj9 h ALA 241 CO -0.00 0.47 -0.51 0.52 0.00 0.00 0.00 179.25 179.73 2aj9 h MET 242 N 1.15 0.59 -0.02 0.00 2.86 -1.19 -1.41 114.93 116.91 2aj9 h MET 242 Ca 0.33 -0.35 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2aj9 h MET 242 Cb -0.08 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.61 2aj9 h MET 242 CO -0.09 0.96 0.01 0.22 1.06 0.00 0.00 176.91 179.07 2aj9 h ASP 243 N 0.46 0.03 0.43 1.22 1.82 -0.62 0.25 116.42 120.01 2aj9 h ASP 243 Ca 0.02 -0.13 -0.07 0.00 -0.39 0.00 0.00 57.03 56.46 2aj9 h ASP 243 Cb 1.05 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 41.05 2aj9 h ASP 243 CO 0.10 0.15 -0.32 0.00 -1.61 0.00 0.00 179.24 177.56 2aj9 h ALA 244 N 0.87 1.32 -0.12 -0.78 0.00 -0.87 -1.78 119.26 117.90 2aj9 h ALA 244 Ca 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2aj9 h ALA 244 Cb 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2aj9 h ALA 244 CO -0.00 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.65 2aj9 n ALA 245 N -2.41 2.54 -3.28 0.00 0.00 -0.54 -4.61 120.51 112.20 2aj9 n ALA 245 Ca -0.02 -0.37 -0.23 0.00 0.00 0.00 0.00 53.44 52.82 2aj9 n ALA 245 Cb 0.39 -1.14 0.05 0.00 0.00 0.00 0.00 19.45 18.75 2aj9 n ALA 245 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aj9 n GLY 246 N 0.98 -0.53 3.27 0.00 0.00 -0.67 -4.99 105.19 103.25 2aj9 n GLY 246 Ca 0.14 0.18 -0.30 0.00 0.00 0.00 0.00 46.02 46.05 2aj9 n GLY 246 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2aj9 s VAL 247 N -3.23 1.90 0.29 1.61 -7.23 0.03 -5.04 120.40 108.74 2aj9 s VAL 247 Ca 0.43 -1.02 -0.13 0.00 -1.81 0.00 0.00 61.98 59.45 2aj9 s VAL 247 Cb -0.19 -1.59 -0.08 0.00 0.56 0.00 0.00 36.38 35.07 2aj9 s VAL 247 CO 0.53 0.54 0.68 -0.13 -0.31 0.00 0.00 175.10 176.41 2aj9 s ARG 248 N -0.44 3.94 0.15 4.82 0.52 -1.26 -4.21 118.95 122.47 2aj9 s ARG 248 Ca 0.06 0.55 -0.26 0.00 -0.52 0.00 0.00 55.73 55.56 2aj9 s ARG 248 Cb -0.10 -2.50 0.01 0.00 0.52 0.00 0.00 34.95 32.88 2aj9 s ARG 248 CO 0.00 0.21 1.58 -1.35 0.02 0.00 0.00 175.30 175.76 2aj9 h PRO 249 N 2.34 -0.33 0.00 3.54 0.11 -1.92 0.23 132.00 135.98 2aj9 h PRO 249 Ca -0.48 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2aj9 h PRO 249 Cb 1.17 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2aj9 h PRO 249 CO 0.67 -0.22 0.20 -0.40 -0.21 0.00 0.00 178.00 178.04 2aj9 n ASP 250 N -5.42 0.29 0.12 -2.05 5.75 -1.26 -1.45 116.55 112.52 2aj9 n ASP 250 Ca -0.01 0.54 -0.00 0.00 -0.01 0.00 0.00 54.79 55.31 2aj9 n ASP 250 Cb 0.35 -0.52 0.02 0.00 -1.03 0.00 0.00 41.12 39.94 2aj9 n ASP 250 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 2aj9 h GLN 251 N 0.00 0.00 -6.88 0.11 4.20 -0.92 -3.43 115.11 108.19 2aj9 h GLN 251 Ca 0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 2aj9 h GLN 251 Cb 0.40 0.00 0.08 0.00 0.30 0.00 0.00 27.48 28.26 2aj9 h GLN 251 CO 0.00 0.65 0.70 -1.50 -0.67 0.00 0.00 178.83 178.01 2aj9 s ILE 252 N -2.99 2.51 -0.16 2.54 2.07 -0.53 -4.79 121.20 119.85 2aj9 s ILE 252 Ca 0.02 0.50 -0.00 0.00 -1.41 0.00 0.00 60.65 59.76 2aj9 s ILE 252 Cb 0.09 -3.32 -0.10 0.00 0.13 0.00 0.00 42.46 39.26 2aj9 s ILE 252 CO 0.76 0.11 -0.16 0.47 -1.91 0.00 0.00 174.94 174.22 2aj9 n ASP 253 N 0.91 2.49 -4.05 4.50 8.00 0.55 -4.57 116.55 124.38 2aj9 n ASP 253 Ca 0.01 -0.04 -0.27 0.00 0.71 0.00 0.00 54.79 55.20 2aj9 n ASP 253 Cb 0.41 -0.30 -0.17 0.00 -0.02 0.00 0.00 41.12 41.04 2aj9 n ASP 253 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2aj9 s VAL 254 N -2.32 1.39 -0.30 2.53 1.01 -0.78 -1.35 120.40 120.58 2aj9 s VAL 254 Ca -0.22 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 2aj9 s VAL 254 Cb 0.06 -1.27 0.03 0.00 0.00 0.00 0.00 36.38 35.20 2aj9 s VAL 254 CO 0.36 0.42 0.05 0.12 0.00 0.00 0.00 175.10 176.04 2aj9 s PHE 255 N 0.88 3.17 -0.68 5.22 5.36 -0.85 0.85 117.98 131.93 2aj9 s PHE 255 Ca -0.09 -1.34 0.03 0.00 -0.96 0.00 0.00 56.93 54.56 2aj9 s PHE 255 Cb -0.15 -2.20 0.17 0.00 -0.34 0.00 0.00 43.02 40.50 2aj9 s PHE 255 CO 0.01 -0.68 0.48 0.08 -1.46 0.00 0.00 175.22 173.65 2aj9 s VAL 256 N 1.40 3.17 0.61 3.12 1.01 0.14 -3.04 120.40 126.81 2aj9 s VAL 256 Ca -0.00 -3.83 -0.06 0.00 0.00 0.00 0.00 61.98 58.09 2aj9 s VAL 256 Cb -0.18 -3.08 0.02 0.00 0.00 0.00 0.00 36.38 33.14 2aj9 s VAL 256 CO 0.01 -0.95 0.92 -2.16 0.00 0.00 0.00 175.10 172.91 2aj9 s PRO 257 N -1.00 2.82 0.20 2.72 0.04 -1.26 -2.61 135.00 135.91 2aj9 s PRO 257 Ca 0.22 -0.04 -0.32 0.00 0.04 0.00 0.00 61.00 60.90 2aj9 s PRO 257 Cb -0.12 -2.26 -0.13 0.00 0.04 0.00 0.00 34.50 32.04 2aj9 s PRO 257 CO -0.10 -0.78 1.67 1.58 0.04 0.00 0.00 177.00 179.41 2aj9 n HIS 258 N -2.63 2.62 -0.30 0.56 -0.00 0.29 -4.79 115.22 110.96 2aj9 n HIS 258 Ca 0.05 0.12 -0.04 0.00 -0.00 0.00 0.00 57.72 57.85 2aj9 n HIS 258 Cb 0.58 -2.63 -0.05 0.00 -0.00 0.00 0.00 29.99 27.89 2aj9 n HIS 258 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 2aj9 n GLN 259 N 3.65 0.63 0.02 1.57 1.13 -1.26 -4.47 117.38 118.65 2aj9 n GLN 259 Ca 0.16 -0.36 -0.06 0.00 -1.94 0.00 0.00 57.00 54.80 2aj9 n GLN 259 Cb 0.33 -1.70 -0.04 0.00 0.11 0.00 0.00 30.24 28.94 2aj9 n GLN 259 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2aj9 h ALA 260 N 5.30 -0.17 -2.59 -1.58 0.00 -1.90 -3.35 119.26 114.97 2aj9 h ALA 260 Ca 0.07 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 2aj9 h ALA 260 Cb 0.41 0.07 -0.27 0.00 0.00 0.00 0.00 17.79 18.00 2aj9 h ALA 260 CO 0.49 -0.18 -0.32 1.21 0.00 0.00 0.00 179.25 180.45 2aj9 s ASN 261 N -5.48 -0.41 0.25 0.00 2.47 -1.26 -4.82 114.94 105.69 2aj9 s ASN 261 Ca -0.07 0.94 -0.05 0.00 0.42 0.00 0.00 52.86 54.09 2aj9 s ASN 261 Cb -0.00 1.00 0.31 0.00 -1.45 0.00 0.00 41.25 41.10 2aj9 s ASN 261 CO 0.25 -0.21 1.89 0.77 -3.72 0.00 0.00 177.10 176.09 2aj9 h SER 262 N 7.54 1.02 -0.84 -4.21 4.64 -1.80 -1.38 113.55 118.53 2aj9 h SER 262 Ca -0.28 -0.01 0.07 0.00 -0.47 0.00 0.00 61.79 61.10 2aj9 h SER 262 Cb 1.15 -0.23 -0.06 0.00 -0.31 0.00 0.00 62.40 62.95 2aj9 h SER 262 CO 0.22 0.70 0.51 0.03 -0.87 0.00 0.00 176.83 177.43 2aj9 h ARG 263 N 1.19 0.89 0.83 4.77 2.47 -1.84 -0.21 114.38 122.48 2aj9 h ARG 263 Ca 0.38 -0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 59.00 2aj9 h ARG 263 Cb 0.01 -0.20 0.01 0.00 -1.65 0.00 0.00 29.97 28.14 2aj9 h ARG 263 CO -0.12 0.59 -0.40 0.82 0.56 0.00 0.00 179.97 181.42 2aj9 h ILE 264 N 0.92 0.11 -0.71 2.04 2.04 -1.66 -2.79 117.51 117.45 2aj9 h ILE 264 Ca 0.38 -0.11 0.09 0.00 1.00 0.00 0.00 64.86 66.21 2aj9 h ILE 264 Cb 0.22 0.12 -0.05 0.00 -0.74 0.00 0.00 36.82 36.37 2aj9 h ILE 264 CO -0.19 0.01 0.47 0.78 0.00 0.00 0.00 178.15 179.21 2aj9 h ASN 265 N -1.21 0.57 -0.62 1.72 -0.26 -1.31 0.00 115.58 114.47 2aj9 h ASN 265 Ca -0.11 0.01 0.06 0.00 -0.56 0.00 0.00 56.30 55.70 2aj9 h ASN 265 Cb 0.86 -0.11 -0.05 0.00 -1.06 0.00 0.00 38.32 37.96 2aj9 h ASN 265 CO 0.19 0.35 0.32 -0.08 -1.06 0.00 0.00 177.43 177.15 2aj9 h GLU 266 N 0.64 0.58 -0.16 0.81 4.81 -0.97 -0.48 114.58 119.80 2aj9 h GLU 266 Ca 0.32 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.42 2aj9 h GLU 266 Cb 0.41 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2aj9 h GLU 266 CO -0.11 0.38 -0.31 -0.07 -0.73 0.00 0.00 179.01 178.17 2aj9 h LEU 267 N 0.59 0.32 -0.24 1.64 3.38 -0.75 -3.20 115.31 117.06 2aj9 h LEU 267 Ca 0.28 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 2aj9 h LEU 267 Cb 0.21 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2aj9 h LEU 267 CO -0.20 0.62 -0.23 -0.07 0.09 0.00 0.00 178.44 178.66 2aj9 h LEU 268 N 0.27 0.61 -0.90 1.67 3.38 -0.32 -1.97 115.31 118.06 2aj9 h LEU 268 Ca 0.04 -0.47 0.16 0.00 0.09 0.00 0.00 57.88 57.70 2aj9 h LEU 268 Cb 0.70 -0.17 -0.10 0.00 0.09 0.00 0.00 40.66 41.18 2aj9 h LEU 268 CO 0.05 0.96 0.48 0.58 0.09 0.00 0.00 178.44 180.60 2aj9 h VAL 269 N 0.28 0.71 -0.13 1.22 2.07 -1.16 0.16 116.25 119.41 2aj9 h VAL 269 Ca 0.04 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 2aj9 h VAL 269 Cb 0.78 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2aj9 h VAL 269 CO 0.06 0.12 -0.13 0.11 0.02 0.00 0.00 177.57 177.75 2aj9 h LYS 270 N 0.66 0.31 -0.60 1.57 1.57 -1.56 -3.21 116.57 115.31 2aj9 h LYS 270 Ca 0.50 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 59.06 2aj9 h LYS 270 Cb 0.74 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 2aj9 h LYS 270 CO -0.38 0.71 0.17 -0.97 -0.57 0.00 0.00 179.45 178.42 2aj9 h ASN 271 N -0.08 0.85 -0.80 0.86 -0.73 -0.05 -2.98 115.58 112.66 2aj9 h ASN 271 Ca 0.02 -0.15 0.10 0.00 1.87 0.00 0.00 56.30 58.14 2aj9 h ASN 271 Cb 0.66 -0.22 -0.08 0.00 0.27 0.00 0.00 38.32 38.95 2aj9 h ASN 271 CO 0.03 0.81 0.43 -0.07 -0.37 0.00 0.00 177.43 178.27 2aj9 h LEU 272 N 0.89 0.59 -1.70 0.34 -0.00 -0.87 -3.48 115.31 111.08 2aj9 h LEU 272 Ca 0.20 0.06 -0.06 0.00 -0.00 0.00 0.00 57.88 58.07 2aj9 h LEU 272 Cb 0.28 -0.05 0.03 0.00 -0.00 0.00 0.00 40.66 40.92 2aj9 h LEU 272 CO -0.01 0.33 -0.13 0.00 -0.00 0.00 0.00 178.44 178.63 2aj9 n GLN 273 N -4.79 -1.23 -0.76 1.13 6.02 -1.13 -4.94 117.38 111.68 2aj9 n GLN 273 Ca 0.13 0.15 -0.13 0.00 -0.01 0.00 0.00 57.00 57.14 2aj9 n GLN 273 Cb 0.30 -3.09 0.09 0.00 1.02 0.00 0.00 30.24 28.56 2aj9 n GLN 273 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2aj9 n LEU 274 N -1.49 0.00 -4.77 1.08 4.77 -1.26 -4.35 117.00 110.98 2aj9 n LEU 274 Ca -0.04 -0.61 -0.38 0.00 -0.03 0.00 0.00 56.01 54.95 2aj9 n LEU 274 Cb 0.53 -0.44 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 2aj9 n LEU 274 CO 0.11 -1.02 0.74 -0.13 -1.33 0.00 0.00 177.39 175.76 2aj9 s ARG 275 N -4.24 4.36 0.63 3.23 0.52 -1.26 -4.90 118.95 117.30 2aj9 s ARG 275 Ca 0.33 1.57 0.28 0.00 -0.52 0.00 0.00 55.73 57.39 2aj9 s ARG 275 Cb -0.01 -2.77 1.51 0.00 0.52 0.00 0.00 34.95 34.20 2aj9 s ARG 275 CO 0.23 0.03 1.88 -1.35 0.02 0.00 0.00 175.30 176.11 2aj9 h PRO 276 N 2.99 0.00 -0.27 3.54 0.11 -1.99 0.57 132.00 136.95 2aj9 h PRO 276 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2aj9 h PRO 276 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2aj9 h PRO 276 CO 0.64 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.03 2aj9 n ASP 277 N -3.24 3.21 -4.69 -2.05 5.75 -1.26 -4.95 116.55 109.32 2aj9 n ASP 277 Ca 0.02 -1.95 -0.42 0.00 -0.01 0.00 0.00 54.79 52.43 2aj9 n ASP 277 Cb 0.52 -0.17 -0.03 0.00 -1.03 0.00 0.00 41.12 40.41 2aj9 n ASP 277 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2aj9 n ALA 278 N 1.34 2.12 -1.81 2.12 0.00 0.20 -4.95 120.51 119.53 2aj9 n ALA 278 Ca 0.17 0.30 -0.34 0.00 0.00 0.00 0.00 53.44 53.57 2aj9 n ALA 278 Cb 0.57 -2.61 -0.06 0.00 0.00 0.00 0.00 19.45 17.36 2aj9 n ALA 278 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2aj9 s VAL 279 N 2.96 4.16 0.03 0.00 -7.23 -0.46 -4.95 120.40 114.92 2aj9 s VAL 279 Ca 0.83 1.38 0.04 0.00 -1.81 0.00 0.00 61.98 62.41 2aj9 s VAL 279 Cb -0.48 -3.58 -0.02 0.00 0.56 0.00 0.00 36.38 32.87 2aj9 s VAL 279 CO 0.38 -0.26 -0.11 -0.69 -0.31 0.00 0.00 175.10 174.12 2aj9 s VAL 280 N -2.06 0.82 -0.03 1.32 1.01 -1.26 -2.00 120.40 118.20 2aj9 s VAL 280 Ca 0.63 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 61.41 2aj9 s VAL 280 Cb -0.12 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 2aj9 s VAL 280 CO 0.16 -0.09 1.21 0.00 0.00 0.00 0.00 175.10 176.38 2aj9 s ALA 281 N -0.88 3.47 -0.13 5.51 0.00 -1.17 -4.89 121.76 123.66 2aj9 s ALA 281 Ca -0.02 0.68 0.19 0.00 0.00 0.00 0.00 51.96 52.81 2aj9 s ALA 281 Cb -0.07 -3.50 0.30 0.00 0.00 0.00 0.00 23.12 19.85 2aj9 s ALA 281 CO 0.01 -0.69 1.16 -1.71 0.00 0.00 0.00 175.76 174.53 2aj9 n ASN 282 N 4.92 2.41 -0.32 0.00 2.85 -1.26 -4.77 115.26 119.11 2aj9 n ASN 282 Ca 0.11 -3.09 0.12 0.00 -0.11 0.00 0.00 54.58 51.60 2aj9 n ASN 282 Cb 0.46 -0.44 0.30 0.00 1.24 0.00 0.00 39.78 41.34 2aj9 n ASN 282 CO 0.00 0.00 0.00 -0.78 -2.11 0.00 0.00 177.26 174.37 2aj9 h ASP 283 N 0.09 0.51 -1.32 1.20 3.58 -1.91 -2.36 116.42 116.22 2aj9 h ASP 283 Ca 0.00 0.13 0.38 0.00 0.42 0.00 0.00 57.03 57.96 2aj9 h ASP 283 Cb 1.02 0.06 -0.05 0.00 1.72 0.00 0.00 39.33 42.08 2aj9 h ASP 283 CO 0.01 0.12 1.04 -0.29 -2.88 0.00 0.00 179.24 177.24 2aj9 h ILE 284 N 0.54 0.22 -0.69 2.25 2.10 -1.86 -2.18 117.51 117.90 2aj9 h ILE 284 Ca 0.55 0.00 0.11 0.00 1.08 0.00 0.00 64.86 66.60 2aj9 h ILE 284 Cb 0.95 0.25 -0.04 0.00 -1.09 0.00 0.00 36.82 36.89 2aj9 h ILE 284 CO -0.45 0.00 0.46 -0.08 -1.08 0.00 0.00 178.15 177.00 2aj9 h GLU 285 N 0.00 0.46 0.00 2.19 4.81 -1.53 0.16 114.58 120.67 2aj9 h GLU 285 Ca 0.63 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.83 2aj9 h GLU 285 Cb 2.70 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 31.98 2aj9 h GLU 285 CO -0.01 0.30 -0.03 -2.39 -0.73 0.00 0.00 179.01 176.15 2aj9 n HIS 286 N -4.48 0.00 0.00 0.92 1.44 -0.84 -0.77 115.22 111.49 2aj9 n HIS 286 Ca 0.12 -0.41 0.00 0.00 -2.01 0.00 0.00 57.72 55.42 2aj9 n HIS 286 Cb 0.41 -0.05 0.00 0.00 0.12 0.00 0.00 29.99 30.47 2aj9 n HIS 286 CO 0.00 0.00 0.00 2.41 -2.81 0.00 0.00 176.34 175.94 2aj9 n THR 287 N -0.48 0.00 -3.36 0.61 -1.04 -1.09 -4.02 114.28 104.91 2aj9 n THR 287 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 2aj9 n THR 287 Cb 0.40 -0.47 0.00 0.00 -1.82 0.00 0.00 70.33 68.43 2aj9 n THR 287 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2aj9 n GLY 288 N 3.04 -1.81 3.52 3.41 0.00 0.53 -4.25 105.19 109.63 2aj9 n GLY 288 Ca 0.00 -1.48 -0.43 0.00 0.00 0.00 0.00 46.02 44.11 2aj9 n GLY 288 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2aj9 s ASN 289 N -4.00 6.35 -0.33 1.61 3.84 0.12 -4.62 114.94 117.90 2aj9 s ASN 289 Ca 0.00 -0.34 0.07 0.00 0.21 0.00 0.00 52.86 52.80 2aj9 s ASN 289 Cb 0.00 -2.38 0.54 0.00 -0.55 0.00 0.00 41.25 38.86 2aj9 s ASN 289 CO 0.00 -0.99 1.56 0.35 -2.79 0.00 0.00 177.10 175.23 2aj9 n THR 290 N 6.04 2.72 0.00 -5.21 -2.24 -1.26 -0.39 114.28 113.94 2aj9 n THR 290 Ca 0.00 -2.66 0.00 0.00 -2.27 0.00 0.00 64.05 59.12 2aj9 n THR 290 Cb 0.47 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 2aj9 n THR 290 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2aj9 n SER 291 N -1.12 0.00 0.30 3.42 2.88 -1.26 -1.46 113.62 116.37 2aj9 n SER 291 Ca 0.40 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 58.10 2aj9 n SER 291 Cb 1.15 0.00 0.92 0.00 -0.75 0.00 0.00 64.21 65.53 2aj9 n SER 291 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2aj9 h ALA 292 N -0.25 1.32 0.00 -1.46 0.00 -1.77 -1.96 119.26 115.14 2aj9 h ALA 292 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2aj9 h ALA 292 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2aj9 h ALA 292 CO 0.00 0.04 -0.42 0.00 0.00 0.00 0.00 179.25 178.88 2aj9 n ALA 293 N -2.25 2.70 -0.06 0.00 0.00 -0.54 -4.35 120.51 116.01 2aj9 n ALA 293 Ca -0.02 -0.17 -0.06 0.00 0.00 0.00 0.00 53.44 53.19 2aj9 n ALA 293 Cb 0.13 -1.27 -0.04 0.00 0.00 0.00 0.00 19.45 18.27 2aj9 n ALA 293 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2aj9 h SER 294 N 0.00 -0.77 -0.22 0.00 0.87 -1.33 -1.02 113.55 111.08 2aj9 h SER 294 Ca 0.00 0.10 0.04 0.00 -1.23 0.00 0.00 61.79 60.71 2aj9 h SER 294 Cb 0.75 0.32 -0.04 0.00 -0.44 0.00 0.00 62.40 62.98 2aj9 h SER 294 CO 0.00 -0.16 -0.05 0.40 -0.53 0.00 0.00 176.83 176.48 2aj9 h ILE 295 N -0.16 0.78 -0.46 2.23 2.04 -1.79 -1.16 117.51 118.99 2aj9 h ILE 295 Ca 0.03 -0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.97 2aj9 h ILE 295 Cb 0.24 0.78 -0.06 0.00 -0.74 0.00 0.00 36.82 37.03 2aj9 h ILE 295 CO -0.25 0.00 0.09 -0.65 0.00 0.00 0.00 178.15 177.34 2aj9 h PRO 296 N 0.00 0.22 -0.63 2.37 0.11 -1.80 0.53 132.00 132.81 2aj9 h PRO 296 Ca 0.11 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 2aj9 h PRO 296 Cb 0.16 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.19 2aj9 h PRO 296 CO -0.23 0.15 0.35 -0.07 -0.21 0.00 0.00 178.00 177.99 2aj9 h LEU 297 N 0.23 0.78 -0.16 2.35 3.38 -0.90 -1.36 115.31 119.63 2aj9 h LEU 297 Ca 0.23 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.12 2aj9 h LEU 297 Cb 0.29 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2aj9 h LEU 297 CO -0.30 0.64 0.09 0.00 0.09 0.00 0.00 178.44 178.96 2aj9 h ALA 298 N 1.17 0.19 -0.55 1.53 0.00 -0.37 -1.48 119.26 119.74 2aj9 h ALA 298 Ca 0.22 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.19 2aj9 h ALA 298 Cb 0.03 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 2aj9 h ALA 298 CO -0.04 -0.34 0.27 0.52 0.00 0.00 0.00 179.25 179.66 2aj9 h MET 299 N 0.18 0.50 -0.94 0.00 2.86 -0.64 -1.39 114.93 115.49 2aj9 h MET 299 Ca 0.06 -0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.74 2aj9 h MET 299 Cb 0.00 -0.11 -0.07 0.00 0.06 0.00 0.00 31.60 31.48 2aj9 h MET 299 CO -0.04 0.33 0.60 0.00 1.06 0.00 0.00 176.91 178.86 2aj9 h ALA 300 N 1.32 1.31 -0.03 6.32 0.00 -0.72 -2.08 119.26 125.38 2aj9 h ALA 300 Ca 0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2aj9 h ALA 300 Cb 0.19 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2aj9 h ALA 300 CO -0.19 0.35 -0.00 1.49 0.00 0.00 0.00 179.25 180.90 2aj9 h GLU 301 N 1.07 0.06 -0.27 0.00 4.57 -0.61 -1.31 114.58 118.09 2aj9 h GLU 301 Ca 0.41 -0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.65 2aj9 h GLU 301 Cb 0.20 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 2aj9 h GLU 301 CO -0.18 0.39 0.20 -0.07 -1.18 0.00 0.00 179.01 178.16 2aj9 h LEU 302 N -0.27 0.00 -0.04 1.64 4.07 -0.98 0.83 115.31 120.56 2aj9 h LEU 302 Ca 0.01 0.00 -0.24 0.00 0.08 0.00 0.00 57.88 57.73 2aj9 h LEU 302 Cb 0.36 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.12 2aj9 h LEU 302 CO 0.00 0.00 -0.91 -0.07 -1.08 0.00 0.00 178.44 176.38 2aj9 h LEU 303 N 0.00 0.87 -0.20 1.67 3.38 -1.21 -0.25 115.31 119.58 2aj9 h LEU 303 Ca 0.13 -0.71 -0.04 0.00 0.09 0.00 0.00 57.88 57.35 2aj9 h LEU 303 Cb 0.52 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2aj9 h LEU 303 CO -0.00 1.46 -0.01 0.71 0.09 0.00 0.00 178.44 180.69 2aj9 h THR 304 N 0.37 1.26 0.00 0.22 1.35 0.14 -2.82 112.91 113.44 2aj9 h THR 304 Ca -0.10 -0.92 -0.07 0.00 -0.55 0.00 0.00 66.41 64.77 2aj9 h THR 304 Cb 1.57 1.47 -0.01 0.00 -1.73 0.00 0.00 68.15 69.45 2aj9 h THR 304 CO 0.18 0.28 -0.32 0.71 -0.25 0.00 0.00 175.52 176.12 2aj9 h THR 305 N 0.11 0.93 0.00 6.82 1.35 -0.98 -3.46 112.91 117.67 2aj9 h THR 305 Ca 0.05 -1.23 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 2aj9 h THR 305 Cb 0.42 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 2aj9 h THR 305 CO 0.01 0.31 0.00 0.61 -0.25 0.00 0.00 175.52 176.20 2aj9 n GLY 306 N -0.18 0.54 0.32 5.82 0.00 -0.38 -4.93 105.19 106.37 2aj9 n GLY 306 Ca -0.01 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.16 2aj9 n GLY 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aj9 h ALA 307 N 0.00 1.89 -4.27 4.61 0.00 -1.39 -3.39 119.26 116.72 2aj9 h ALA 307 Ca 0.00 -0.01 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 2aj9 h ALA 307 Cb 0.00 0.01 -0.29 0.00 0.00 0.00 0.00 17.79 17.52 2aj9 h ALA 307 CO 0.00 -0.23 -0.83 0.00 0.00 0.00 0.00 179.25 178.18 2aj9 s ALA 308 N -4.78 1.49 0.24 0.00 0.00 -0.76 -4.86 121.76 113.10 2aj9 s ALA 308 Ca -0.05 -0.80 0.11 0.00 0.00 0.00 0.00 51.96 51.22 2aj9 s ALA 308 Cb 0.16 -0.36 -0.05 0.00 0.00 0.00 0.00 23.12 22.87 2aj9 s ALA 308 CO 0.60 0.36 -0.17 0.15 0.00 0.00 0.00 175.76 176.69 2aj9 s LYS 309 N -0.55 1.76 0.16 0.00 1.02 -1.26 -4.13 119.74 116.73 2aj9 s LYS 309 Ca 0.07 -1.60 -0.33 0.00 0.02 0.00 0.00 55.97 54.12 2aj9 s LYS 309 Cb -0.07 -1.88 -0.13 0.00 -0.52 0.00 0.00 37.83 35.22 2aj9 s LYS 309 CO -0.00 0.37 1.63 -2.30 -0.92 0.00 0.00 175.35 174.12 2aj9 n PRO 310 N -0.34 2.29 0.00 -1.68 -0.02 -1.26 -1.61 135.00 132.38 2aj9 n PRO 310 Ca -0.08 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 2aj9 n PRO 310 Cb 0.58 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 2aj9 n PRO 310 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2aj9 n GLY 311 N 3.58 0.80 3.75 -1.23 0.00 -0.05 -4.96 105.19 107.07 2aj9 n GLY 311 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 2aj9 n GLY 311 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2aj9 s ASP 312 N -1.88 5.16 -0.42 1.61 1.01 -0.63 -4.60 116.67 116.92 2aj9 s ASP 312 Ca 0.00 2.67 -0.24 0.00 0.71 0.00 0.00 52.55 55.69 2aj9 s ASP 312 Cb 0.00 -2.63 0.02 0.00 1.01 0.00 0.00 42.92 41.32 2aj9 s ASP 312 CO 0.00 -1.63 0.83 -0.22 0.21 0.00 0.00 175.17 174.36 2aj9 s LEU 313 N -3.74 4.13 0.11 1.23 2.96 -1.26 -1.08 118.68 121.03 2aj9 s LEU 313 Ca 0.74 0.14 0.07 0.00 -0.22 0.00 0.00 54.13 54.87 2aj9 s LEU 313 Cb -0.38 -3.06 -0.04 0.00 0.50 0.00 0.00 46.19 43.20 2aj9 s LEU 313 CO 0.44 -0.89 -0.11 0.00 -1.32 0.00 0.00 176.35 174.46 2aj9 s ALA 314 N 3.37 2.92 -0.26 5.97 0.00 0.74 -0.33 121.76 134.18 2aj9 s ALA 314 Ca 0.33 -1.27 -0.05 0.00 0.00 0.00 0.00 51.96 50.96 2aj9 s ALA 314 Cb -0.12 -0.85 -0.00 0.00 0.00 0.00 0.00 23.12 22.15 2aj9 s ALA 314 CO 0.22 0.63 0.03 -1.17 0.00 0.00 0.00 175.76 175.46 2aj9 s LEU 315 N -2.24 3.40 -0.20 0.00 0.20 0.25 -1.27 118.68 118.82 2aj9 s LEU 315 Ca 0.21 -0.52 -0.08 0.00 0.69 0.00 0.00 54.13 54.43 2aj9 s LEU 315 Cb -0.11 -1.82 -0.04 0.00 -0.43 0.00 0.00 46.19 43.79 2aj9 s LEU 315 CO 0.13 -0.10 0.08 -0.76 -0.29 0.00 0.00 176.35 175.41 2aj9 s LEU 316 N 1.50 3.83 -0.21 -0.68 1.43 -0.36 0.26 118.68 124.44 2aj9 s LEU 316 Ca 0.04 0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.18 2aj9 s LEU 316 Cb -0.16 -1.98 0.06 0.00 0.03 0.00 0.00 46.19 44.14 2aj9 s LEU 316 CO 0.00 0.14 0.03 -0.63 0.23 0.00 0.00 176.35 176.12 2aj9 s ILE 317 N 0.59 0.67 -0.16 -0.59 1.01 -1.07 -2.00 121.20 119.64 2aj9 s ILE 317 Ca 0.04 -0.73 -0.06 0.00 0.00 0.00 0.00 60.65 59.90 2aj9 s ILE 317 Cb -0.13 -1.19 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 2aj9 s ILE 317 CO 0.01 -0.26 0.04 -0.83 0.00 0.00 0.00 174.94 173.91 2aj9 s GLY 318 N 1.78 1.89 0.02 6.18 0.00 0.70 -0.55 107.32 117.35 2aj9 s GLY 318 Ca -0.00 -0.76 -0.07 0.00 0.00 0.00 0.00 44.72 43.89 2aj9 s GLY 318 CO -0.10 -0.10 0.13 -2.52 0.00 0.00 0.00 173.10 170.51 2aj9 s TYR 319 N 0.05 0.10 -5.00 1.90 1.13 -1.26 -1.22 117.35 113.05 2aj9 s TYR 319 Ca 0.04 -0.31 0.00 0.00 -1.41 0.00 0.00 57.07 55.40 2aj9 s TYR 319 Cb -0.12 -0.08 0.00 0.00 -1.10 0.00 0.00 41.96 40.66 2aj9 s TYR 319 CO 0.01 -0.35 0.00 0.41 -2.51 0.00 0.00 175.55 173.11 2aj9 n GLY 320 N 1.02 -0.11 0.00 5.49 0.00 -0.81 -4.41 105.19 106.37 2aj9 n GLY 320 Ca -0.20 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.67 2aj9 n GLY 320 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aj9 n ALA 321 N -0.29 -1.03 -0.80 4.61 0.00 -1.26 -0.72 120.51 121.02 2aj9 n ALA 321 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2aj9 n ALA 321 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 2aj9 n ALA 321 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aj9 n GLY 322 N 0.00 0.07 3.41 0.00 0.00 -1.25 -2.46 105.19 104.95 2aj9 n GLY 322 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2aj9 n GLY 322 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2aj9 n LEU 323 N -0.09 -3.62 -4.21 0.99 4.32 0.10 -4.22 117.00 110.27 2aj9 n LEU 323 Ca -0.01 -0.13 -0.17 0.00 -0.02 0.00 0.00 56.01 55.68 2aj9 n LEU 323 Cb 0.39 -2.01 -0.11 0.00 -1.62 0.00 0.00 43.42 40.06 2aj9 n LEU 323 CO 0.01 -0.45 -0.45 -0.94 -1.22 0.00 0.00 177.39 174.35 2aj9 s SER 324 N -1.93 1.79 -0.01 -1.43 1.04 -0.75 0.11 113.70 112.52 2aj9 s SER 324 Ca 0.30 -0.75 -0.04 0.00 0.48 0.00 0.00 55.95 55.93 2aj9 s SER 324 Cb -0.04 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.04 2aj9 s SER 324 CO 0.86 -0.15 0.10 -0.72 0.98 0.00 0.00 173.24 174.30 2aj9 s TYR 325 N -1.95 0.01 -0.02 5.02 -0.85 -0.66 -1.93 117.35 116.97 2aj9 s TYR 325 Ca 0.05 -0.01 0.00 0.00 -0.52 0.00 0.00 57.07 56.59 2aj9 s TYR 325 Cb -0.06 -0.03 0.03 0.00 0.38 0.00 0.00 41.96 42.27 2aj9 s TYR 325 CO 0.02 -0.17 0.01 0.00 -1.52 0.00 0.00 175.55 173.90 2aj9 s ALA 326 N -0.74 0.19 0.02 9.51 0.00 -0.36 -1.87 121.76 128.51 2aj9 s ALA 326 Ca -0.08 0.21 -0.04 0.00 0.00 0.00 0.00 51.96 52.04 2aj9 s ALA 326 Cb -0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 2aj9 s ALA 326 CO 0.00 -0.07 0.06 0.00 0.00 0.00 0.00 175.76 175.75 2aj9 s ALA 327 N 0.92 -0.04 -0.16 0.00 0.00 0.87 -0.21 121.76 123.14 2aj9 s ALA 327 Ca -0.08 -0.49 -0.31 0.00 0.00 0.00 0.00 51.96 51.07 2aj9 s ALA 327 Cb -0.12 0.18 0.13 0.00 0.00 0.00 0.00 23.12 23.32 2aj9 s ALA 327 CO -0.02 -0.24 1.08 1.14 0.00 0.00 0.00 175.76 177.72 2aj9 s GLN 328 N -1.99 0.49 -0.04 0.00 0.00 -0.85 -0.73 119.66 116.55 2aj9 s GLN 328 Ca -0.10 -0.02 -0.15 0.00 -0.00 0.00 0.00 55.36 55.09 2aj9 s GLN 328 Cb -0.05 0.23 -0.05 0.00 0.00 0.00 0.00 33.01 33.14 2aj9 s GLN 328 CO -0.02 -0.18 0.40 0.08 0.00 0.00 0.00 175.29 175.57 2aj9 s VAL 329 N -1.78 5.10 0.18 3.63 1.01 -1.26 -1.23 120.40 126.05 2aj9 s VAL 329 Ca 0.04 0.81 -0.03 0.00 0.00 0.00 0.00 61.98 62.80 2aj9 s VAL 329 Cb -0.01 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 2aj9 s VAL 329 CO -0.03 0.52 0.15 0.68 0.00 0.00 0.00 175.10 176.42 2aj9 s VAL 330 N -0.64 0.03 -0.19 2.92 -7.23 -0.39 -0.59 120.40 114.32 2aj9 s VAL 330 Ca 0.23 -1.88 -0.07 0.00 -1.81 0.00 0.00 61.98 58.45 2aj9 s VAL 330 Cb -0.16 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 2aj9 s VAL 330 CO 0.12 -0.14 0.05 -0.13 -0.31 0.00 0.00 175.10 174.68 2aj9 s ARG 331 N -4.11 3.86 0.28 4.82 0.52 -0.69 -0.18 118.95 123.45 2aj9 s ARG 331 Ca 0.32 -0.40 -0.30 0.00 -0.52 0.00 0.00 55.73 54.83 2aj9 s ARG 331 Cb 0.06 -3.18 -0.12 0.00 0.52 0.00 0.00 34.95 32.23 2aj9 s ARG 331 CO 0.08 0.19 1.48 -1.33 0.02 0.00 0.00 175.30 175.74 2aj9 n MET 332 N 3.77 2.35 -1.42 3.54 2.81 -0.24 -4.47 117.12 123.45 2aj9 n MET 332 Ca -0.17 0.83 -0.30 0.00 -1.81 0.00 0.00 57.70 56.26 2aj9 n MET 332 Cb 0.52 -2.54 0.22 0.00 -0.71 0.00 0.00 33.22 30.71 2aj9 n MET 332 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2aj9 s PRO 333 N -0.69 -0.50 0.00 0.03 0.04 -1.26 -0.87 135.00 131.74 2aj9 s PRO 333 Ca 0.64 -0.22 0.09 0.00 0.04 0.00 0.00 61.00 61.55 2aj9 s PRO 333 Cb -0.57 -1.69 0.07 0.00 0.04 0.00 0.00 34.50 32.35 2aj9 s PRO 333 CO 0.51 -3.21 0.78 1.63 0.04 0.00 0.00 177.00 176.75