#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rjs s PRO 12 N 0.00 3.17 0.40 5.55 0.04 -1.26 -5.05 135.00 137.86 2rjs s PRO 12 Ca 0.00 -0.47 -0.24 0.00 0.04 0.00 0.00 61.00 60.33 2rjs s PRO 12 Cb 0.00 -2.92 -0.09 0.00 0.04 0.00 0.00 34.50 31.54 2rjs s PRO 12 CO 0.00 0.64 1.09 0.08 0.04 0.00 0.00 177.00 178.85 2rjs s VAL 13 N -1.29 3.53 -0.30 -0.36 1.01 0.11 -4.83 120.40 118.27 2rjs s VAL 13 Ca 0.26 1.20 -0.08 0.00 0.00 0.00 0.00 61.98 63.36 2rjs s VAL 13 Cb -0.12 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2rjs s VAL 13 CO 0.18 0.03 0.10 -0.55 0.00 0.00 0.00 175.10 174.86 2rjs s SER 14 N -1.43 5.24 -0.67 3.32 0.15 -1.26 -0.59 113.70 118.46 2rjs s SER 14 Ca 0.58 -0.65 -0.14 0.00 0.70 0.00 0.00 55.95 56.45 2rjs s SER 14 Cb -0.25 -1.92 0.17 0.00 -1.71 0.00 0.00 66.02 62.32 2rjs s SER 14 CO 0.31 -0.19 0.60 0.68 1.20 0.00 0.00 173.24 175.84 2rjs s VAL 15 N 1.53 5.19 -0.83 4.45 -7.23 -1.00 -4.54 120.40 117.97 2rjs s VAL 15 Ca 0.03 -2.06 0.09 0.00 -1.81 0.00 0.00 61.98 58.23 2rjs s VAL 15 Cb -0.17 -4.28 0.24 0.00 0.56 0.00 0.00 36.38 32.73 2rjs s VAL 15 CO 0.03 -0.93 1.17 -0.90 -0.31 0.00 0.00 175.10 174.16 2rjs n ASP 16 N 4.53 2.67 -1.39 4.85 5.75 -1.26 -4.34 116.55 127.35 2rjs n ASP 16 Ca 0.00 -1.93 -0.18 0.00 -0.01 0.00 0.00 54.79 52.68 2rjs n ASP 16 Cb 0.43 -0.17 -0.08 0.00 -1.03 0.00 0.00 41.12 40.27 2rjs n ASP 16 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2rjs n GLY 17 N 0.38 1.77 0.00 6.12 0.00 -1.20 -4.25 105.19 108.01 2rjs n GLY 17 Ca 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2rjs n GLY 17 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2rjs n GLU 18 N -2.42 0.12 -0.09 1.61 -0.58 -1.26 -4.57 120.64 113.45 2rjs n GLU 18 Ca -0.18 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.61 2rjs n GLU 18 Cb 0.60 -0.53 0.07 0.00 -0.57 0.00 0.00 31.44 31.01 2rjs n GLU 18 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2rjs n THR 19 N -1.02 1.23 -2.17 2.62 -2.24 -1.26 -4.92 114.28 106.51 2rjs n THR 19 Ca 0.00 -1.41 -0.41 0.00 -2.27 0.00 0.00 64.05 59.95 2rjs n THR 19 Cb 0.03 0.18 -0.03 0.00 -2.10 0.00 0.00 70.33 68.41 2rjs n THR 19 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2rjs s LEU 20 N -1.71 4.41 0.25 3.22 2.96 -1.26 -5.03 118.68 121.52 2rjs s LEU 20 Ca 0.15 2.46 0.09 0.00 -0.22 0.00 0.00 54.13 56.61 2rjs s LEU 20 Cb 0.13 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.17 2rjs s LEU 20 CO 0.01 -0.56 0.02 0.42 -1.32 0.00 0.00 176.35 174.92 2rjs s THR 21 N 0.07 3.60 0.34 3.68 -4.23 -1.26 -4.75 115.64 113.08 2rjs s THR 21 Ca 0.57 -1.78 0.03 0.00 -1.18 0.00 0.00 61.69 59.34 2rjs s THR 21 Cb -0.38 -2.90 0.29 0.00 1.34 0.00 0.00 72.50 70.84 2rjs s THR 21 CO 0.39 -0.33 1.94 0.58 -0.54 0.00 0.00 174.62 176.67 2rjs h VAL 22 N 1.95 1.05 -0.51 2.29 2.07 -1.93 -0.71 116.25 120.46 2rjs h VAL 22 Ca -0.45 -0.30 -0.07 0.00 0.82 0.00 0.00 66.70 66.70 2rjs h VAL 22 Cb 1.24 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 2rjs h VAL 22 CO 0.60 0.16 0.05 -0.08 0.02 0.00 0.00 177.57 178.32 2rjs h GLU 23 N 0.88 0.87 -0.66 1.57 4.81 -1.95 -1.61 114.58 118.49 2rjs h GLU 23 Ca 0.34 -0.25 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 2rjs h GLU 23 Cb 0.21 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 2rjs h GLU 23 CO -0.12 0.87 0.21 0.00 -0.73 0.00 0.00 179.01 179.24 2rjs h ALA 24 N 0.96 1.12 -0.62 2.92 0.00 -1.71 -1.14 119.26 120.79 2rjs h ALA 24 Ca 0.15 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2rjs h ALA 24 Cb 0.45 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2rjs h ALA 24 CO 0.02 0.60 0.24 0.28 0.00 0.00 0.00 179.25 180.39 2rjs h VAL 25 N 0.97 1.23 -0.62 0.00 2.07 -0.90 -1.59 116.25 117.41 2rjs h VAL 25 Ca 0.22 -0.74 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 2rjs h VAL 25 Cb 0.27 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 2rjs h VAL 25 CO -0.01 0.29 0.20 0.03 0.02 0.00 0.00 177.57 178.10 2rjs h ARG 26 N 0.87 0.96 -0.38 1.57 3.08 -0.79 -0.09 114.38 119.60 2rjs h ARG 26 Ca 0.21 -0.20 0.03 0.00 0.07 0.00 0.00 59.98 60.09 2rjs h ARG 26 Cb 0.22 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 2rjs h ARG 26 CO -0.02 0.84 0.18 0.00 -1.07 0.00 0.00 179.97 179.90 2rjs h ARG 27 N 0.88 0.36 -0.60 0.04 3.08 -0.87 1.03 114.38 118.30 2rjs h ARG 27 Ca 0.20 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.19 2rjs h ARG 27 Cb 0.28 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 2rjs h ARG 27 CO -0.01 0.24 0.22 0.28 -1.07 0.00 0.00 179.97 179.63 2rjs h VAL 28 N 0.37 1.23 0.18 2.04 2.07 -1.07 -0.96 116.25 120.12 2rjs h VAL 28 Ca 0.16 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 2rjs h VAL 28 Cb 0.08 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2rjs h VAL 28 CO -0.12 0.29 -0.09 0.00 0.02 0.00 0.00 177.57 177.67 2rjs h ALA 29 N 1.08 -0.25 -0.01 1.67 0.00 -0.47 -3.15 119.26 118.13 2rjs h ALA 29 Ca 0.20 -0.11 -0.26 0.00 0.00 0.00 0.00 54.91 54.74 2rjs h ALA 29 Cb 0.23 0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.14 2rjs h ALA 29 CO -0.01 -0.24 -1.01 0.93 0.00 0.00 0.00 179.25 178.91 2rjs h GLU 30 N -1.04 0.70 -0.33 0.00 5.08 0.96 -3.36 114.58 116.60 2rjs h GLU 30 Ca -0.03 -0.74 0.00 0.00 -1.00 0.00 0.00 59.36 57.59 2rjs h GLU 30 Cb 0.30 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2rjs h GLU 30 CO 0.04 1.32 0.00 0.39 -1.00 0.00 0.00 179.01 179.76 2rjs n GLU 31 N -3.88 3.18 -3.95 2.33 1.02 -0.78 -4.98 120.64 113.58 2rjs n GLU 31 Ca -0.11 -2.78 -0.30 0.00 -0.02 0.00 0.00 57.16 53.95 2rjs n GLU 31 Cb 0.87 -1.82 0.02 0.00 -0.02 0.00 0.00 31.44 30.48 2rjs n GLU 31 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2rjs n ARG 32 N -0.17 -4.95 -2.24 3.49 5.12 -1.02 -4.91 116.66 111.99 2rjs n ARG 32 Ca 0.21 0.55 -0.41 0.00 -1.93 0.00 0.00 57.85 56.27 2rjs n ARG 32 Cb 0.86 -5.35 -0.03 0.00 -1.16 0.00 0.00 32.46 26.79 2rjs n ARG 32 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2rjs s ALA 33 N -3.36 3.49 0.40 7.54 0.00 -0.44 -4.95 121.76 124.44 2rjs s ALA 33 Ca 0.59 1.12 -0.27 0.00 0.00 0.00 0.00 51.96 53.40 2rjs s ALA 33 Cb -0.30 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.28 2rjs s ALA 33 CO 0.85 -0.49 1.35 0.99 0.00 0.00 0.00 175.76 178.46 2rjs s THR 34 N -0.61 2.44 0.09 0.00 2.01 -1.26 -4.44 115.64 113.87 2rjs s THR 34 Ca 0.51 0.41 0.05 0.00 0.31 0.00 0.00 61.69 62.97 2rjs s THR 34 Cb -0.37 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 2rjs s THR 34 CO 0.44 0.07 -0.03 0.54 -0.69 0.00 0.00 174.62 174.96 2rjs s VAL 35 N -1.21 3.85 -0.11 3.82 0.11 -1.26 0.06 120.40 125.66 2rjs s VAL 35 Ca 0.56 -1.04 -0.04 0.00 -2.93 0.00 0.00 61.98 58.52 2rjs s VAL 35 Cb -0.41 -2.82 0.06 0.00 -1.53 0.00 0.00 36.38 31.68 2rjs s VAL 35 CO 0.53 0.13 0.23 -0.62 -3.33 0.00 0.00 175.10 172.04 2rjs s ASP 36 N -2.24 0.49 -0.28 3.54 2.15 0.24 -4.86 116.67 115.70 2rjs s ASP 36 Ca 0.24 0.50 -0.24 0.00 0.43 0.00 0.00 52.55 53.49 2rjs s ASP 36 Cb -0.12 0.55 -0.00 0.00 -0.30 0.00 0.00 42.92 43.05 2rjs s ASP 36 CO 0.17 -0.24 0.79 -0.69 -0.17 0.00 0.00 175.17 175.03 2rjs s VAL 37 N 2.37 4.81 0.68 1.11 1.01 -1.26 -2.38 120.40 126.74 2rjs s VAL 37 Ca 0.02 1.30 -0.17 0.00 0.00 0.00 0.00 61.98 63.13 2rjs s VAL 37 Cb -0.12 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 32.14 2rjs s VAL 37 CO -0.08 -0.19 1.27 -2.16 0.00 0.00 0.00 175.10 173.95 2rjs s PRO 38 N 2.91 2.36 0.36 2.72 0.04 -1.26 -4.83 135.00 137.30 2rjs s PRO 38 Ca 0.33 1.98 0.03 0.00 0.04 0.00 0.00 61.00 63.38 2rjs s PRO 38 Cb -0.14 -1.83 0.68 0.00 0.04 0.00 0.00 34.50 33.24 2rjs s PRO 38 CO 0.11 -1.72 2.01 0.00 0.04 0.00 0.00 177.00 177.44 2rjs h ALA 39 N 0.22 1.59 -0.76 8.56 0.00 -1.99 -1.46 119.26 125.42 2rjs h ALA 39 Ca -0.50 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 2rjs h ALA 39 Cb 1.33 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 2rjs h ALA 39 CO 0.52 0.36 0.41 0.93 0.00 0.00 0.00 179.25 181.47 2rjs h GLU 40 N 0.81 1.07 -0.40 0.00 5.08 -2.00 -1.22 114.58 117.92 2rjs h GLU 40 Ca 0.24 -0.13 -0.13 0.00 -1.00 0.00 0.00 59.36 58.33 2rjs h GLU 40 Cb -0.04 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 2rjs h GLU 40 CO -0.06 0.80 -0.28 0.77 -1.00 0.00 0.00 179.01 179.24 2rjs h SER 41 N 1.06 0.89 -0.79 1.42 0.02 -1.66 -2.25 113.55 112.24 2rjs h SER 41 Ca 0.27 -0.36 -0.05 0.00 -0.84 0.00 0.00 61.79 60.81 2rjs h SER 41 Cb 0.05 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.31 2rjs h SER 41 CO -0.04 1.11 0.32 0.40 -1.14 0.00 0.00 176.83 177.48 2rjs h ILE 42 N 0.73 1.26 -0.65 3.27 1.08 -1.01 -0.76 117.51 121.43 2rjs h ILE 42 Ca 0.09 -0.82 -0.08 0.00 -0.39 0.00 0.00 64.86 63.66 2rjs h ILE 42 Cb 0.84 0.31 -0.03 0.00 -3.07 0.00 0.00 36.82 34.87 2rjs h ILE 42 CO 0.07 0.34 0.10 0.00 -0.69 0.00 0.00 178.15 177.97 2rjs h ALA 43 N 1.17 0.86 -0.16 1.87 0.00 -1.08 0.17 119.26 122.09 2rjs h ALA 43 Ca 0.26 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2rjs h ALA 43 Cb 0.21 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2rjs h ALA 43 CO -0.02 0.63 -0.37 -0.22 0.00 0.00 0.00 179.25 179.27 2rjs h LYS 44 N 0.99 0.34 0.07 0.00 3.64 -1.09 -1.75 116.57 118.76 2rjs h LYS 44 Ca 0.20 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2rjs h LYS 44 Cb 0.45 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2rjs h LYS 44 CO 0.01 0.67 -0.03 0.00 -2.27 0.00 0.00 179.45 177.83 2rjs h ALA 45 N 1.33 -0.09 -0.67 5.00 0.00 -0.65 -1.94 119.26 122.23 2rjs h ALA 45 Ca 0.03 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 54.78 2rjs h ALA 45 Cb 0.79 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 2rjs h ALA 45 CO 0.06 -0.29 0.34 0.37 0.00 0.00 0.00 179.25 179.73 2rjs h GLN 46 N -0.61 0.57 -0.41 0.00 5.75 -0.62 -0.59 115.11 119.20 2rjs h GLN 46 Ca -0.01 -0.03 -0.12 0.00 -0.15 0.00 0.00 58.65 58.33 2rjs h GLN 46 Cb 0.52 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 2rjs h GLN 46 CO 0.01 0.38 -0.23 -0.22 -2.65 0.00 0.00 178.83 176.13 2rjs h LYS 47 N 0.59 0.88 -0.71 1.69 3.64 -1.37 -2.03 116.57 119.28 2rjs h LYS 47 Ca 0.32 -0.40 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 2rjs h LYS 47 Cb 0.31 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 2rjs h LYS 47 CO -0.24 1.05 0.21 0.77 -2.27 0.00 0.00 179.45 178.96 2rjs h SER 48 N 0.71 1.03 -0.58 4.20 0.02 -0.95 -2.05 113.55 115.92 2rjs h SER 48 Ca 0.09 -0.20 -0.05 0.00 -0.84 0.00 0.00 61.79 60.80 2rjs h SER 48 Cb 0.80 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 2rjs h SER 48 CO 0.07 0.96 0.17 -0.09 -1.14 0.00 0.00 176.83 176.80 2rjs h ARG 49 N 1.05 0.90 -0.52 3.45 9.65 -1.01 0.10 114.38 128.01 2rjs h ARG 49 Ca 0.23 -0.20 -0.10 0.00 -1.10 0.00 0.00 59.98 58.81 2rjs h ARG 49 Cb 0.31 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.75 2rjs h ARG 49 CO -0.01 0.82 -0.06 1.49 2.80 0.00 0.00 179.97 185.01 2rjs h GLU 50 N 0.82 0.95 -0.14 0.20 4.81 -1.11 0.36 114.58 120.48 2rjs h GLU 50 Ca 0.19 -0.33 -0.07 0.00 -0.13 0.00 0.00 59.36 59.01 2rjs h GLU 50 Cb 0.30 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 2rjs h GLU 50 CO -0.00 1.00 -0.20 0.82 -0.73 0.00 0.00 179.01 179.89 2rjs h ILE 51 N 0.82 1.36 -0.56 2.32 2.04 -1.26 -2.25 117.51 119.98 2rjs h ILE 51 Ca 0.14 -1.42 -0.01 0.00 1.00 0.00 0.00 64.86 64.58 2rjs h ILE 51 Cb 0.61 1.96 -0.03 0.00 -0.74 0.00 0.00 36.82 38.62 2rjs h ILE 51 CO 0.04 0.42 0.33 0.15 0.00 0.00 0.00 178.15 179.08 2rjs h PHE 52 N -0.01 0.76 -0.87 1.37 3.57 -0.72 -2.11 116.94 118.93 2rjs h PHE 52 Ca 0.01 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.57 2rjs h PHE 52 Cb 0.76 -0.25 -0.06 0.00 2.79 0.00 0.00 35.95 39.19 2rjs h PHE 52 CO 0.09 0.53 0.54 0.93 -2.23 0.00 0.00 178.31 178.18 2rjs h GLU 53 N 0.76 0.95 0.00 1.11 5.08 -0.25 -0.76 114.58 121.47 2rjs h GLU 53 Ca 0.20 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2rjs h GLU 53 Cb 0.01 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.05 2rjs h GLU 53 CO -0.04 0.63 -0.02 0.78 -1.00 0.00 0.00 179.01 179.36 2rjs h GLY 54 N 0.98 0.00 0.82 -3.84 0.00 -0.76 -0.45 103.07 99.82 2rjs h GLY 54 Ca 0.38 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.39 2rjs h GLY 54 CO -0.18 0.00 -1.83 4.51 0.00 0.00 0.00 176.54 179.04 2rjs n ILE 55 N -3.95 1.67 0.17 2.60 3.06 -0.41 -3.89 119.36 118.60 2rjs n ILE 55 Ca -0.03 -0.75 0.02 0.00 -2.50 0.00 0.00 62.75 59.50 2rjs n ILE 55 Cb 0.11 -1.28 0.29 0.00 0.54 0.00 0.00 39.64 39.30 2rjs n ILE 55 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2rjs h ALA 56 N 0.66 1.07 0.00 1.51 0.00 -0.91 -2.43 119.26 119.16 2rjs h ALA 56 Ca -0.34 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.15 2rjs h ALA 56 Cb 2.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.74 2rjs h ALA 56 CO 0.08 0.58 0.00 -1.91 0.00 0.00 0.00 179.25 178.00 2rjs n GLU 57 N -3.75 0.04 -0.78 0.00 4.07 -0.21 -2.12 120.64 117.89 2rjs n GLU 57 Ca -0.01 0.27 0.08 0.00 -0.06 0.00 0.00 57.16 57.44 2rjs n GLU 57 Cb 0.52 -1.50 0.38 0.00 -0.06 0.00 0.00 31.44 30.78 2rjs n GLU 57 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 2rjs n GLN 58 N -1.45 4.43 -2.26 5.31 6.02 -0.92 -4.95 117.38 123.56 2rjs n GLN 58 Ca 0.03 -3.06 -0.10 0.00 -0.01 0.00 0.00 57.00 53.87 2rjs n GLN 58 Cb 0.12 -2.13 -0.01 0.00 1.02 0.00 0.00 30.24 29.25 2rjs n GLN 58 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2rjs n ASN 59 N 0.67 -3.12 -4.84 1.08 3.02 -0.90 -4.95 115.26 106.22 2rjs n ASN 59 Ca 0.27 0.26 -0.32 0.00 -0.03 0.00 0.00 54.58 54.76 2rjs n ASN 59 Cb 1.09 -2.74 -0.04 0.00 -0.61 0.00 0.00 39.78 37.47 2rjs n ASN 59 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2rjs s ILE 60 N -2.36 4.55 -0.08 2.41 -4.36 -1.26 -4.96 121.20 115.13 2rjs s ILE 60 Ca 0.00 1.17 -0.30 0.00 -0.26 0.00 0.00 60.65 61.27 2rjs s ILE 60 Cb 0.00 -3.69 -0.05 0.00 1.25 0.00 0.00 42.46 39.97 2rjs s ILE 60 CO 0.00 -0.55 1.60 -2.16 0.24 0.00 0.00 174.94 174.07 2rjs s PRO 61 N -3.77 4.16 -0.06 0.37 0.04 -1.26 -4.78 135.00 129.70 2rjs s PRO 61 Ca 0.58 2.08 -0.01 0.00 0.04 0.00 0.00 61.00 63.70 2rjs s PRO 61 Cb -0.10 -3.96 0.03 0.00 0.04 0.00 0.00 34.50 30.51 2rjs s PRO 61 CO 0.26 -0.86 -0.00 0.42 0.04 0.00 0.00 177.00 176.86 2rjs s ILE 62 N 4.05 0.35 0.06 0.56 1.01 -1.26 -5.01 121.20 120.95 2rjs s ILE 62 Ca 0.71 0.09 -0.36 0.00 0.00 0.00 0.00 60.65 61.09 2rjs s ILE 62 Cb -0.31 -0.48 -0.15 0.00 0.01 0.00 0.00 42.46 41.53 2rjs s ILE 62 CO 0.27 0.23 1.51 0.00 0.00 0.00 0.00 174.94 176.95 2rjs n TYR 63 N 4.83 1.89 -0.50 3.97 9.36 -1.26 -1.14 117.16 134.31 2rjs n TYR 63 Ca -0.12 0.45 0.00 0.00 3.32 0.00 0.00 57.90 61.55 2rjs n TYR 63 Cb 0.50 -2.44 0.00 0.00 -0.63 0.00 0.00 39.34 36.77 2rjs n TYR 63 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2rjs n GLY 64 N 3.15 1.12 0.22 2.98 0.00 -1.25 -4.57 105.19 106.84 2rjs n GLY 64 Ca 0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 2rjs n GLY 64 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2rjs n VAL 65 N -2.00 0.77 -2.31 1.61 0.31 -0.48 -4.58 118.33 111.65 2rjs n VAL 65 Ca 0.00 -0.26 0.04 0.00 -0.01 0.00 0.00 64.34 64.11 2rjs n VAL 65 Cb 0.00 -1.20 0.06 0.00 -0.91 0.00 0.00 33.84 31.80 2rjs n VAL 65 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2rjs n THR 66 N -3.12 0.54 -4.03 2.52 -2.24 -0.29 -4.84 114.28 102.81 2rjs n THR 66 Ca -0.25 -1.58 -0.10 0.00 -2.27 0.00 0.00 64.05 59.85 2rjs n THR 66 Cb 0.74 0.72 -0.07 0.00 -2.10 0.00 0.00 70.33 69.62 2rjs n THR 66 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2rjs s THR 67 N -0.86 0.03 1.05 4.28 -4.23 -1.23 -1.35 115.64 113.33 2rjs s THR 67 Ca 0.35 -1.55 -0.16 0.00 -1.18 0.00 0.00 61.69 59.14 2rjs s THR 67 Cb 0.38 -2.10 0.22 0.00 1.34 0.00 0.00 72.50 72.35 2rjs s THR 67 CO -0.14 -0.16 1.16 -0.83 -0.54 0.00 0.00 174.62 174.11 2rjs s GLY 68 N -3.03 1.62 0.14 3.99 0.00 0.92 -3.85 107.32 107.11 2rjs s GLY 68 Ca 0.24 -0.83 0.01 0.00 0.00 0.00 0.00 44.72 44.14 2rjs s GLY 68 CO 0.05 -0.08 0.29 -0.19 0.00 0.00 0.00 173.10 173.17 2rjs s TYR 69 N -3.26 3.49 0.00 1.90 2.02 -1.25 -3.76 117.35 116.48 2rjs s TYR 69 Ca 0.69 0.21 0.00 0.00 -0.37 0.00 0.00 57.07 57.60 2rjs s TYR 69 Cb -0.11 -1.74 0.00 0.00 -0.40 0.00 0.00 41.96 39.71 2rjs s TYR 69 CO 0.55 0.50 0.00 0.41 -1.57 0.00 0.00 175.55 175.44 2rjs n GLY 70 N -0.37 2.98 0.36 0.71 0.00 -1.26 -0.86 105.19 106.75 2rjs n GLY 70 Ca -0.06 -0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.07 2rjs n GLY 70 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2rjs h GLU 71 N 0.00 0.24 -0.98 1.61 4.57 -1.94 -1.89 114.58 116.19 2rjs h GLU 71 Ca 0.00 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.12 2rjs h GLU 71 Cb 0.00 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.51 2rjs h GLU 71 CO 0.00 0.16 0.06 -1.33 -1.18 0.00 0.00 179.01 176.72 2rjs n MET 72 N -4.44 1.30 0.26 1.92 2.81 -0.04 -3.95 117.12 114.98 2rjs n MET 72 Ca 0.10 -0.42 0.17 0.00 -1.81 0.00 0.00 57.70 55.74 2rjs n MET 72 Cb 0.48 -1.31 0.76 0.00 -0.71 0.00 0.00 33.22 32.44 2rjs n MET 72 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 2rjs h ILE 73 N 0.28 0.00 0.00 2.02 2.10 -1.43 -1.31 117.51 119.17 2rjs h ILE 73 Ca 0.06 -0.33 0.00 0.00 1.08 0.00 0.00 64.86 65.67 2rjs h ILE 73 Cb 1.07 1.26 0.00 0.00 -1.09 0.00 0.00 36.82 38.06 2rjs h ILE 73 CO 0.12 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.19 2rjs n TYR 74 N -2.90 0.14 -2.93 2.19 4.11 -1.25 -4.16 117.16 112.35 2rjs n TYR 74 Ca -0.00 0.05 -0.43 0.00 -0.00 0.00 0.00 57.90 57.52 2rjs n TYR 74 Cb 0.23 -0.58 -0.05 0.00 -0.00 0.00 0.00 39.34 38.94 2rjs n TYR 74 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.86 175.22 2rjs s MET 75 N -3.05 3.60 -0.03 -3.48 -1.94 -0.51 -4.96 119.30 108.93 2rjs s MET 75 Ca 0.08 0.15 -0.26 0.00 -1.71 0.00 0.00 55.69 53.95 2rjs s MET 75 Cb 0.11 -3.87 -0.04 0.00 2.01 0.00 0.00 34.83 33.04 2rjs s MET 75 CO 0.33 -1.01 0.82 -0.65 -0.01 0.00 0.00 175.02 174.51 2rjs s GLN 76 N 3.28 4.49 -0.05 2.03 -1.52 -1.26 -0.06 119.66 126.58 2rjs s GLN 76 Ca 0.32 1.12 0.06 0.00 -1.95 0.00 0.00 55.36 54.91 2rjs s GLN 76 Cb -0.12 -3.45 -0.01 0.00 -0.22 0.00 0.00 33.01 29.21 2rjs s GLN 76 CO 0.20 0.04 -0.24 0.08 -0.25 0.00 0.00 175.29 175.12 2rjs s VAL 77 N 0.81 2.19 0.45 1.09 1.01 -0.46 -4.95 120.40 120.55 2rjs s VAL 77 Ca 0.43 -1.03 -0.22 0.00 0.00 0.00 0.00 61.98 61.16 2rjs s VAL 77 Cb -0.19 -1.80 -0.08 0.00 0.00 0.00 0.00 36.38 34.31 2rjs s VAL 77 CO 0.23 0.57 1.06 -0.62 0.00 0.00 0.00 175.10 176.34 2rjs s ASP 78 N -0.33 6.48 0.65 3.32 2.15 -1.26 -4.52 116.67 123.17 2rjs s ASP 78 Ca 0.01 2.02 0.44 0.00 0.43 0.00 0.00 52.55 55.45 2rjs s ASP 78 Cb -0.12 -2.58 2.33 0.00 -0.30 0.00 0.00 42.92 42.25 2rjs s ASP 78 CO 0.02 -0.68 2.33 0.07 -0.17 0.00 0.00 175.17 176.74 2rjs h LYS 79 N 2.01 0.00 0.00 4.34 2.10 -1.91 -1.27 116.57 121.83 2rjs h LYS 79 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 2rjs h LYS 79 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 2rjs h LYS 79 CO 0.60 0.00 0.00 -1.13 -2.00 0.00 0.00 179.45 176.92 2rjs n SER 80 N -3.07 0.00 -0.98 7.07 3.41 -1.26 -1.39 113.62 117.41 2rjs n SER 80 Ca -0.03 0.29 0.09 0.00 -0.26 0.00 0.00 58.87 58.97 2rjs n SER 80 Cb 0.09 -0.37 0.21 0.00 -0.26 0.00 0.00 64.21 63.88 2rjs n SER 80 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2rjs n LYS 81 N -1.37 2.47 -0.20 4.33 4.76 -0.48 -4.83 118.16 122.84 2rjs n LYS 81 Ca 0.03 -2.20 0.02 0.00 -2.87 0.00 0.00 58.31 53.29 2rjs n LYS 81 Cb 0.08 -1.42 0.05 0.00 -1.84 0.00 0.00 35.03 31.91 2rjs n LYS 81 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2rjs n GLU 82 N 1.14 -0.08 -0.01 1.97 2.13 -0.49 -0.89 120.64 124.41 2rjs n GLU 82 Ca 0.17 0.85 -0.17 0.00 0.66 0.00 0.00 57.16 58.67 2rjs n GLU 82 Cb 0.52 -1.27 -0.14 0.00 0.27 0.00 0.00 31.44 30.82 2rjs n GLU 82 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2rjs h VAL 83 N 0.00 1.64 -0.39 6.31 2.07 -1.88 -3.20 116.25 120.81 2rjs h VAL 83 Ca 0.23 -2.43 0.04 0.00 0.82 0.00 0.00 66.70 65.37 2rjs h VAL 83 Cb 0.37 3.27 -0.04 0.00 -1.52 0.00 0.00 31.29 33.37 2rjs h VAL 83 CO -0.56 0.66 0.16 -0.08 0.02 0.00 0.00 177.57 177.77 2rjs h GLU 84 N -0.66 0.32 0.11 1.57 4.81 -1.68 0.57 114.58 119.63 2rjs h GLU 84 Ca -0.07 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.15 2rjs h GLU 84 Cb 1.32 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.58 2rjs h GLU 84 CO 0.08 0.21 -0.50 1.25 -0.73 0.00 0.00 179.01 179.33 2rjs h LEU 85 N 0.33 -1.49 -1.45 1.64 5.85 -1.14 0.23 115.31 119.28 2rjs h LEU 85 Ca 0.17 0.16 0.04 0.00 0.84 0.00 0.00 57.88 59.09 2rjs h LEU 85 Cb 0.12 0.55 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 2rjs h LEU 85 CO -0.15 -0.54 0.41 1.56 -0.34 0.00 0.00 178.44 179.38 2rjs h GLN 86 N -0.72 0.69 -0.00 1.25 1.08 -1.49 -2.67 115.11 113.25 2rjs h GLN 86 Ca 0.01 -0.04 -0.24 0.00 -1.45 0.00 0.00 58.65 56.92 2rjs h GLN 86 Cb 0.74 -0.16 0.01 0.00 -0.05 0.00 0.00 27.48 28.02 2rjs h GLN 86 CO -0.28 0.46 -0.98 1.15 -0.95 0.00 0.00 178.83 178.22 2rjs h THR 87 N 0.71 1.34 -0.26 -0.54 2.02 0.06 -2.86 112.91 113.38 2rjs h THR 87 Ca 0.25 -2.35 -0.08 0.00 0.77 0.00 0.00 66.41 65.00 2rjs h THR 87 Cb 0.11 2.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.90 2rjs h THR 87 CO -0.07 0.71 -0.17 0.78 0.37 0.00 0.00 175.52 177.14 2rjs h ASN 88 N 0.31 0.45 0.20 4.18 2.35 -0.45 -2.42 115.58 120.20 2rjs h ASN 88 Ca -0.10 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.51 2rjs h ASN 88 Cb 1.63 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 39.87 2rjs h ASN 88 CO 0.18 0.65 -0.12 0.25 -1.65 0.00 0.00 177.43 176.74 2rjs h LEU 89 N 0.42 -0.29 -0.91 1.61 5.85 -1.43 -0.26 115.31 120.31 2rjs h LEU 89 Ca 0.07 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 2rjs h LEU 89 Cb 0.55 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 2rjs h LEU 89 CO 0.04 -0.19 -0.06 0.58 -0.34 0.00 0.00 178.44 178.47 2rjs h VAL 90 N -0.30 1.25 0.39 1.05 2.07 -1.42 -2.02 116.25 117.27 2rjs h VAL 90 Ca -0.02 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.42 2rjs h VAL 90 Cb 0.25 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2rjs h VAL 90 CO 0.03 0.37 -0.19 0.03 0.02 0.00 0.00 177.57 177.82 2rjs h ARG 91 N 0.69 -0.51 0.00 1.57 3.08 -1.32 -2.85 114.38 115.04 2rjs h ARG 91 Ca 0.13 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2rjs h ARG 91 Cb 0.50 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.67 2rjs h ARG 91 CO 0.03 -0.34 0.11 0.66 -1.07 0.00 0.00 179.97 179.36 2rjs h SER 92 N -0.88 0.00 -0.02 7.04 4.64 -1.11 -1.05 113.55 122.18 2rjs h SER 92 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2rjs h SER 92 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2rjs h SER 92 CO 0.09 0.00 -0.13 1.41 -0.87 0.00 0.00 176.83 177.33 2rjs n HIS 93 N -2.78 0.00 -2.46 4.77 8.25 -0.76 -4.59 115.22 117.65 2rjs n HIS 93 Ca -0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.01 2rjs n HIS 93 Cb 0.16 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.27 2rjs n HIS 93 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2rjs n SER 94 N 0.85 4.98 -0.20 0.41 7.64 -0.40 -4.07 113.62 122.83 2rjs n SER 94 Ca 0.13 -3.03 0.09 0.00 1.01 0.00 0.00 58.87 57.07 2rjs n SER 94 Cb 0.54 -1.54 0.16 0.00 -1.01 0.00 0.00 64.21 62.35 2rjs n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2rjs n ALA 95 N 4.93 2.60 -1.52 -0.43 0.00 -1.26 -4.99 120.51 119.83 2rjs n ALA 95 Ca 0.41 -2.78 -0.35 0.00 0.00 0.00 0.00 53.44 50.72 2rjs n ALA 95 Cb 0.39 -0.37 0.07 0.00 0.00 0.00 0.00 19.45 19.54 2rjs n ALA 95 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2rjs s GLY 96 N -2.95 2.51 0.30 0.00 0.00 -1.26 -4.96 107.32 100.96 2rjs s GLY 96 Ca 0.33 0.95 0.03 0.00 0.00 0.00 0.00 44.72 46.03 2rjs s GLY 96 CO 0.01 1.36 0.15 -1.34 0.00 0.00 0.00 173.10 173.27 2rjs s VAL 97 N -1.81 0.36 0.00 1.40 -7.23 -1.26 -4.92 120.40 106.94 2rjs s VAL 97 Ca 0.76 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 2rjs s VAL 97 Cb -0.30 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.11 2rjs s VAL 97 CO 0.41 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.81 2rjs n GLY 98 N -0.57 -2.04 3.73 2.32 0.00 -1.26 -1.56 105.19 105.81 2rjs n GLY 98 Ca 0.01 -1.65 -0.35 0.00 0.00 0.00 0.00 46.02 44.03 2rjs n GLY 98 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2rjs s PRO 99 N -0.07 2.30 0.12 1.61 0.02 -1.26 -4.50 135.00 133.21 2rjs s PRO 99 Ca 0.00 1.85 -0.18 0.00 0.02 0.00 0.00 61.00 62.69 2rjs s PRO 99 Cb 0.00 -1.84 -0.07 0.00 0.02 0.00 0.00 34.50 32.61 2rjs s PRO 99 CO 0.00 -1.74 0.59 -0.51 -0.33 0.00 0.00 177.00 175.01 2rjs s LEU 100 N -4.87 4.44 0.80 -5.54 1.43 -1.26 0.49 118.68 114.16 2rjs s LEU 100 Ca 0.77 1.23 -0.11 0.00 -1.03 0.00 0.00 54.13 54.98 2rjs s LEU 100 Cb -0.31 -3.13 0.07 0.00 0.03 0.00 0.00 46.19 42.85 2rjs s LEU 100 CO 0.43 0.18 1.12 -0.36 0.23 0.00 0.00 176.35 177.95 2rjs s PHE 101 N -1.29 2.23 0.90 0.29 0.40 -0.13 -4.87 117.98 115.49 2rjs s PHE 101 Ca 0.34 1.63 -0.13 0.00 -0.60 0.00 0.00 56.93 58.17 2rjs s PHE 101 Cb -0.18 -3.21 0.13 0.00 0.51 0.00 0.00 43.02 40.28 2rjs s PHE 101 CO 0.19 -2.19 1.19 0.00 0.70 0.00 0.00 175.22 175.11 2rjs s ALA 102 N -2.64 2.16 0.13 5.36 0.00 -1.26 -4.76 121.76 120.74 2rjs s ALA 102 Ca 0.65 -0.73 -0.25 0.00 0.00 0.00 0.00 51.96 51.63 2rjs s ALA 102 Cb -0.21 -2.95 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 2rjs s ALA 102 CO 0.53 -2.14 1.64 0.93 0.00 0.00 0.00 175.76 176.72 2rjs h GLU 103 N -1.41 -0.34 -0.77 0.00 5.08 -1.95 -1.32 114.58 113.87 2rjs h GLU 103 Ca -0.47 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 57.97 2rjs h GLU 103 Cb 1.31 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.59 2rjs h GLU 103 CO 0.57 -0.23 0.51 0.38 -1.00 0.00 0.00 179.01 179.25 2rjs h ASP 104 N -0.35 0.74 -0.17 1.42 2.03 -1.94 0.47 116.42 118.61 2rjs h ASP 104 Ca 0.08 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.28 2rjs h ASP 104 Cb 0.46 -0.16 -0.00 0.00 -0.83 0.00 0.00 39.33 38.80 2rjs h ASP 104 CO -0.25 0.48 -0.26 -0.33 -1.03 0.00 0.00 179.24 177.85 2rjs h GLU 105 N 0.84 0.48 -0.46 4.15 5.08 -1.81 -2.35 114.58 120.51 2rjs h GLU 105 Ca 0.33 -0.29 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 2rjs h GLU 105 Cb 0.22 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2rjs h GLU 105 CO -0.11 0.88 0.07 0.00 -1.00 0.00 0.00 179.01 178.85 2rjs h ALA 106 N 0.59 1.27 -0.31 3.43 0.00 -0.75 -2.24 119.26 121.25 2rjs h ALA 106 Ca 0.02 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 2rjs h ALA 106 Cb 0.84 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2rjs h ALA 106 CO 0.06 0.50 -0.01 0.00 0.00 0.00 0.00 179.25 179.81 2rjs h ARG 107 N 0.68 0.55 -0.57 0.00 3.08 -0.87 -1.63 114.38 115.63 2rjs h ARG 107 Ca 0.15 -0.18 0.04 0.00 0.07 0.00 0.00 59.98 60.06 2rjs h ARG 107 Cb 0.32 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 2rjs h ARG 107 CO 0.00 0.69 0.38 0.00 -1.07 0.00 0.00 179.97 179.97 2rjs h ALA 108 N 0.83 1.75 -0.03 0.04 0.00 -1.16 0.27 119.26 120.95 2rjs h ALA 108 Ca 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2rjs h ALA 108 Cb 0.45 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2rjs h ALA 108 CO 0.02 0.18 -0.01 0.82 0.00 0.00 0.00 179.25 180.26 2rjs h ILE 109 N 0.62 1.32 -0.56 0.00 2.04 -1.04 -0.20 117.51 119.69 2rjs h ILE 109 Ca 0.23 -0.97 -0.07 0.00 1.00 0.00 0.00 64.86 65.05 2rjs h ILE 109 Cb 0.14 1.91 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 2rjs h ILE 109 CO -0.06 0.26 0.05 0.58 0.00 0.00 0.00 178.15 178.98 2rjs h VAL 110 N -0.32 1.25 -0.30 1.67 2.07 -0.79 -1.38 116.25 118.44 2rjs h VAL 110 Ca 0.01 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 2rjs h VAL 110 Cb 0.42 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 2rjs h VAL 110 CO 0.00 0.36 0.18 0.00 0.02 0.00 0.00 177.57 178.14 2rjs h ALA 111 N 1.19 0.39 -0.29 1.67 0.00 -0.40 0.76 119.26 122.59 2rjs h ALA 111 Ca 0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2rjs h ALA 111 Cb 0.44 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2rjs h ALA 111 CO 0.02 -0.11 0.03 0.00 0.00 0.00 0.00 179.25 179.18 2rjs h ALA 112 N 1.07 1.53 -0.18 0.00 0.00 -0.73 -1.53 119.26 119.41 2rjs h ALA 112 Ca 0.11 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 2rjs h ALA 112 Cb 0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2rjs h ALA 112 CO -0.02 0.35 -0.24 -0.09 0.00 0.00 0.00 179.25 179.25 2rjs h ARG 113 N 0.42 0.49 -0.79 0.00 9.65 -0.45 -2.55 114.38 121.15 2rjs h ARG 113 Ca 0.10 -0.28 0.00 0.00 -1.10 0.00 0.00 59.98 58.70 2rjs h ARG 113 Cb 0.22 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.79 2rjs h ARG 113 CO 0.00 0.87 0.50 1.25 2.80 0.00 0.00 179.97 185.39 2rjs h LEU 114 N 0.14 0.92 -1.23 3.80 5.85 -0.58 -2.33 115.31 121.88 2rjs h LEU 114 Ca 0.02 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 2rjs h LEU 114 Cb 0.81 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 2rjs h LEU 114 CO 0.06 0.69 -0.08 -1.13 -0.34 0.00 0.00 178.44 177.64 2rjs h ASN 115 N 1.07 0.41 0.13 1.25 -1.24 -1.26 -0.34 115.58 115.59 2rjs h ASN 115 Ca 0.29 -0.09 -0.01 0.00 0.71 0.00 0.00 56.30 57.20 2rjs h ASN 115 Cb -0.09 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 38.86 2rjs h ASN 115 CO -0.06 0.53 -0.06 0.74 -1.29 0.00 0.00 177.43 177.29 2rjs h THR 116 N 0.40 1.00 0.00 -3.57 2.02 -1.00 -2.93 112.91 108.83 2rjs h THR 116 Ca 0.08 -0.52 -0.05 0.00 0.77 0.00 0.00 66.41 66.70 2rjs h THR 116 Cb 0.40 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 2rjs h THR 116 CO 0.02 0.12 -0.23 -0.07 0.37 0.00 0.00 175.52 175.73 2rjs h LEU 117 N -0.41 0.00 -0.47 2.58 3.38 -1.27 -2.20 115.31 116.91 2rjs h LEU 117 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2rjs h LEU 117 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2rjs h LEU 117 CO 0.03 0.23 0.00 0.00 0.09 0.00 0.00 178.44 178.79 2rjs n ALA 118 N -2.45 1.69 0.25 1.53 0.00 -0.15 -2.16 120.51 119.21 2rjs n ALA 118 Ca -0.02 0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.59 2rjs n ALA 118 Cb 0.29 -1.35 0.63 0.00 0.00 0.00 0.00 19.45 19.03 2rjs n ALA 118 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2rjs h LYS 119 N 0.00 0.00 0.00 0.00 3.64 -1.29 -3.38 116.57 115.54 2rjs h LYS 119 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2rjs h LYS 119 Cb 0.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2rjs h LYS 119 CO 0.00 0.13 0.00 0.41 -2.27 0.00 0.00 179.45 177.72 2rjs n GLY 120 N -0.17 0.61 1.54 5.01 0.00 -0.92 -4.96 105.19 106.30 2rjs n GLY 120 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.09 2rjs n GLY 120 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2rjs n HIS 121 N -2.00 1.63 0.61 1.61 8.25 -1.26 -4.34 115.22 119.71 2rjs n HIS 121 Ca 0.00 -0.74 0.09 0.00 -0.26 0.00 0.00 57.72 56.80 2rjs n HIS 121 Cb 0.00 -0.40 -0.11 0.00 1.12 0.00 0.00 29.99 30.60 2rjs n HIS 121 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2rjs n SER 122 N 0.40 0.83 -2.97 0.41 7.64 -1.26 -2.12 113.62 116.55 2rjs n SER 122 Ca 0.25 -0.67 -0.21 0.00 1.01 0.00 0.00 58.87 59.25 2rjs n SER 122 Cb 1.04 1.23 0.04 0.00 -1.01 0.00 0.00 64.21 65.52 2rjs n SER 122 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2rjs n ALA 123 N -1.62 -0.99 -2.66 -0.43 0.00 -1.26 -4.92 120.51 108.64 2rjs n ALA 123 Ca 0.02 0.30 -0.29 0.00 0.00 0.00 0.00 53.44 53.47 2rjs n ALA 123 Cb 0.33 -4.07 -0.04 0.00 0.00 0.00 0.00 19.45 15.68 2rjs n ALA 123 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2rjs s VAL 124 N -3.18 5.13 0.49 0.00 1.01 -1.26 -4.71 120.40 117.88 2rjs s VAL 124 Ca 0.35 -0.11 -0.21 0.00 0.00 0.00 0.00 61.98 62.01 2rjs s VAL 124 Cb -0.15 -3.70 -0.08 0.00 0.00 0.00 0.00 36.38 32.45 2rjs s VAL 124 CO 0.43 -0.16 1.07 -0.13 0.00 0.00 0.00 175.10 176.31 2rjs s ARG 125 N -3.21 3.74 0.64 2.72 0.52 -1.26 -4.67 118.95 117.44 2rjs s ARG 125 Ca 0.41 1.45 0.38 0.00 -0.52 0.00 0.00 55.73 57.45 2rjs s ARG 125 Cb -0.11 -2.14 2.11 0.00 0.52 0.00 0.00 34.95 35.33 2rjs s ARG 125 CO 0.28 -0.49 2.27 -1.35 0.02 0.00 0.00 175.30 176.02 2rjs h PRO 126 N 1.61 0.00 -0.96 3.54 0.11 -1.90 -2.04 132.00 132.36 2rjs h PRO 126 Ca -0.49 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.64 2rjs h PRO 126 Cb 1.23 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.29 2rjs h PRO 126 CO 0.59 0.00 0.63 0.97 -0.21 0.00 0.00 178.00 179.98 2rjs h ILE 127 N 0.00 1.19 -0.36 4.15 6.09 -1.98 0.43 117.51 127.03 2rjs h ILE 127 Ca 0.01 -0.43 -0.09 0.00 -1.37 0.00 0.00 64.86 62.99 2rjs h ILE 127 Cb 0.13 -0.16 -0.01 0.00 0.47 0.00 0.00 36.82 37.25 2rjs h ILE 127 CO -0.00 0.23 -0.12 0.40 -3.07 0.00 0.00 178.15 175.59 2rjs h ILE 128 N 1.24 1.28 -0.57 2.19 2.04 -1.74 0.61 117.51 122.55 2rjs h ILE 128 Ca 0.37 -1.20 0.02 0.00 1.00 0.00 0.00 64.86 65.05 2rjs h ILE 128 Cb -0.04 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 2rjs h ILE 128 CO -0.10 0.40 0.35 -0.07 0.00 0.00 0.00 178.15 178.72 2rjs h LEU 129 N 0.51 0.57 -0.42 1.44 3.38 -1.44 -1.43 115.31 117.92 2rjs h LEU 129 Ca 0.09 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.06 2rjs h LEU 129 Cb 0.64 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 2rjs h LEU 129 CO 0.04 0.40 0.27 -0.33 0.09 0.00 0.00 178.44 178.92 2rjs h GLU 130 N 0.69 0.54 0.21 1.13 5.08 0.59 -2.28 114.58 120.55 2rjs h GLU 130 Ca 0.23 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 2rjs h GLU 130 Cb 0.01 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2rjs h GLU 130 CO -0.09 0.36 -0.10 0.00 -1.00 0.00 0.00 179.01 178.18 2rjs h ARG 131 N 0.56 -0.27 -0.42 2.33 2.47 0.68 0.42 114.38 120.14 2rjs h ARG 131 Ca 0.15 0.02 0.07 0.00 -1.26 0.00 0.00 59.98 58.97 2rjs h ARG 131 Cb -0.06 0.06 -0.06 0.00 -1.65 0.00 0.00 29.97 28.26 2rjs h ARG 131 CO -0.04 -0.17 0.04 -0.07 0.56 0.00 0.00 179.97 180.29 2rjs h LEU 132 N -0.29 -0.10 -1.46 3.04 3.38 -1.21 0.10 115.31 118.76 2rjs h LEU 132 Ca -0.03 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2rjs h LEU 132 Cb 0.23 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2rjs h LEU 132 CO 0.05 -0.01 -0.23 0.00 0.09 0.00 0.00 178.44 178.33 2rjs h ALA 133 N 1.35 1.56 0.27 1.53 0.00 -1.29 -2.16 119.26 120.51 2rjs h ALA 133 Ca 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2rjs h ALA 133 Cb 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2rjs h ALA 133 CO -0.31 0.33 -0.13 0.37 0.00 0.00 0.00 179.25 179.51 2rjs h GLN 134 N 0.05 -0.35 -0.84 0.00 4.15 0.12 -1.02 115.11 117.20 2rjs h GLN 134 Ca 0.01 0.02 0.19 0.00 0.77 0.00 0.00 58.65 59.64 2rjs h GLN 134 Cb 0.44 0.08 -0.11 0.00 0.21 0.00 0.00 27.48 28.10 2rjs h GLN 134 CO 0.03 -0.04 0.35 1.88 -1.93 0.00 0.00 178.83 179.13 2rjs h TYR 135 N -0.70 0.59 -0.00 3.99 -1.99 -0.68 0.33 116.97 118.51 2rjs h TYR 135 Ca -0.04 0.04 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 2rjs h TYR 135 Cb 0.48 -0.13 -0.00 0.00 2.00 0.00 0.00 36.73 39.08 2rjs h TYR 135 CO 0.02 -0.00 -0.00 -0.07 -0.00 0.00 0.00 178.16 178.11 2rjs h LEU 136 N 0.42 0.01 -1.37 3.88 3.38 -1.30 0.55 115.31 120.87 2rjs h LEU 136 Ca 0.50 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2rjs h LEU 136 Cb 0.88 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 2rjs h LEU 136 CO -0.48 0.37 -0.03 0.78 0.09 0.00 0.00 178.44 179.16 2rjs h ASN 137 N -0.35 0.00 -0.04 -0.43 2.35 -0.44 -3.04 115.58 113.62 2rjs h ASN 137 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2rjs h ASN 137 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.73 2rjs h ASN 137 CO 0.00 0.03 0.00 -0.62 -1.65 0.00 0.00 177.43 175.19 2rjs n GLU 138 N -3.14 1.57 -2.05 0.81 1.02 0.11 -4.99 120.64 113.96 2rjs n GLU 138 Ca 0.01 -1.61 -0.04 0.00 -0.02 0.00 0.00 57.16 55.49 2rjs n GLU 138 Cb 0.33 -1.35 -0.00 0.00 -0.02 0.00 0.00 31.44 30.40 2rjs n GLU 138 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rjs n GLY 139 N 1.03 0.22 3.39 0.62 0.00 -0.40 -5.00 105.19 105.05 2rjs n GLY 139 Ca 0.11 -0.72 -0.44 0.00 0.00 0.00 0.00 46.02 44.96 2rjs n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rjs s ILE 140 N -2.20 4.71 -0.27 -0.61 1.01 0.18 -5.02 121.20 119.00 2rjs s ILE 140 Ca 0.00 -0.89 -0.12 0.00 0.00 0.00 0.00 60.65 59.63 2rjs s ILE 140 Cb 0.00 -4.55 -0.05 0.00 0.01 0.00 0.00 42.46 37.88 2rjs s ILE 140 CO 0.00 -1.22 0.25 -0.89 0.00 0.00 0.00 174.94 173.09 2rjs s THR 141 N 2.97 5.27 0.55 2.92 2.01 -1.26 -4.52 115.64 123.58 2rjs s THR 141 Ca 0.15 0.32 -0.20 0.00 0.31 0.00 0.00 61.69 62.26 2rjs s THR 141 Cb -0.22 -3.59 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 2rjs s THR 141 CO 0.06 0.23 1.24 -2.84 -0.69 0.00 0.00 174.62 172.63 2rjs s PRO 142 N 1.76 3.17 -0.62 4.92 0.02 -1.26 0.22 135.00 143.21 2rjs s PRO 142 Ca 0.10 1.94 -0.20 0.00 0.02 0.00 0.00 61.00 62.85 2rjs s PRO 142 Cb -0.16 -2.12 0.09 0.00 0.02 0.00 0.00 34.50 32.33 2rjs s PRO 142 CO 0.10 -1.07 0.81 0.00 -0.33 0.00 0.00 177.00 176.51 2rjs s ALA 143 N -1.49 3.29 -0.39 -1.55 0.00 -0.04 -4.09 121.76 117.49 2rjs s ALA 143 Ca 0.73 -2.06 -0.11 0.00 0.00 0.00 0.00 51.96 50.52 2rjs s ALA 143 Cb -0.33 -3.67 0.03 0.00 0.00 0.00 0.00 23.12 19.16 2rjs s ALA 143 CO 0.38 -2.53 0.23 0.42 0.00 0.00 0.00 175.76 174.26 2rjs s ILE 144 N 3.27 4.63 0.30 0.00 1.01 -1.26 -4.74 121.20 124.42 2rjs s ILE 144 Ca 0.16 -0.90 -0.29 0.00 0.00 0.00 0.00 60.65 59.62 2rjs s ILE 144 Cb -0.21 -3.62 -0.10 0.00 0.01 0.00 0.00 42.46 38.54 2rjs s ILE 144 CO 0.08 -0.28 1.44 -2.84 0.00 0.00 0.00 174.94 173.34 2rjs s PRO 145 N 1.56 4.24 0.24 2.79 0.02 -1.26 -0.96 135.00 141.62 2rjs s PRO 145 Ca 0.02 2.38 -0.00 0.00 0.02 0.00 0.00 61.00 63.42 2rjs s PRO 145 Cb -0.20 -3.06 0.27 0.00 0.02 0.00 0.00 34.50 31.54 2rjs s PRO 145 CO 0.07 -0.41 1.63 0.93 -0.33 0.00 0.00 177.00 178.88 2rjs h GLU 146 N 4.14 0.55 -7.53 5.54 5.08 -0.04 -3.43 114.58 118.89 2rjs h GLU 146 Ca -0.48 -0.25 -0.47 0.00 -1.00 0.00 0.00 59.36 57.15 2rjs h GLU 146 Cb 1.22 -0.01 0.11 0.00 0.50 0.00 0.00 28.75 30.57 2rjs h GLU 146 CO 0.72 0.82 0.37 0.42 -1.00 0.00 0.00 179.01 180.34 2rjs s ILE 147 N -4.33 2.41 0.00 3.13 1.01 -0.60 -4.74 121.20 118.08 2rjs s ILE 147 Ca -0.07 0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.71 2rjs s ILE 147 Cb 0.13 -3.02 0.00 0.00 0.01 0.00 0.00 42.46 39.58 2rjs s ILE 147 CO 0.81 -0.17 0.00 0.61 0.00 0.00 0.00 174.94 176.19 2rjs n GLY 148 N -2.74 0.64 3.90 6.18 0.00 -1.26 -4.11 105.19 107.80 2rjs n GLY 148 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 2rjs n GLY 148 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rjs s SER 149 N -1.93 6.46 0.00 1.61 1.04 -1.26 -4.45 113.70 115.16 2rjs s SER 149 Ca 0.00 0.51 0.14 0.00 0.48 0.00 0.00 55.95 57.08 2rjs s SER 149 Cb 0.00 -2.06 0.23 0.00 0.10 0.00 0.00 66.02 64.29 2rjs s SER 149 CO 0.00 0.08 1.10 0.18 0.98 0.00 0.00 173.24 175.58 2rjs n LEU 150 N 0.12 2.59 -2.68 2.42 4.77 -1.26 -4.85 117.00 118.11 2rjs n LEU 150 Ca -0.03 -1.43 -0.01 0.00 -0.03 0.00 0.00 56.01 54.51 2rjs n LEU 150 Cb 0.52 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2rjs n LEU 150 CO 0.49 0.56 -0.39 0.61 -1.33 0.00 0.00 177.39 177.34 2rjs n GLY 151 N 0.78 -3.78 2.43 -0.72 0.00 -1.26 -0.31 105.19 102.33 2rjs n GLY 151 Ca 0.11 0.56 -0.16 0.00 0.00 0.00 0.00 46.02 46.53 2rjs n GLY 151 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2rjs n ASP 155 N 0.51 1.56 0.47 1.61 8.00 -0.77 -1.63 116.55 126.31 2rjs n ASP 155 Ca 0.02 -3.00 -0.20 0.00 0.71 0.00 0.00 54.79 52.32 2rjs n ASP 155 Cb 0.07 -0.57 -0.10 0.00 -0.02 0.00 0.00 41.12 40.50 2rjs n ASP 155 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2rjs h LEU 156 N 2.97 -1.05 0.09 0.64 3.38 -1.84 -2.82 115.31 116.69 2rjs h LEU 156 Ca 0.04 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.07 2rjs h LEU 156 Cb 1.00 0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.98 2rjs h LEU 156 CO 0.55 -0.73 -0.42 0.00 0.09 0.00 0.00 178.44 177.92 2rjs h ALA 157 N -1.09 -0.73 -0.29 1.53 0.00 -1.78 0.10 119.26 117.00 2rjs h ALA 157 Ca -0.12 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.78 2rjs h ALA 157 Cb 0.93 0.72 -0.05 0.00 0.00 0.00 0.00 17.79 19.39 2rjs h ALA 157 CO 0.19 -0.98 -0.01 -1.35 0.00 0.00 0.00 179.25 177.10 2rjs h PRO 158 N -0.63 0.07 -0.06 0.00 0.11 -1.82 -1.69 132.00 127.98 2rjs h PRO 158 Ca 0.03 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.07 2rjs h PRO 158 Cb 0.67 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 2rjs h PRO 158 CO -0.26 0.04 -0.28 -0.07 -0.21 0.00 0.00 178.00 177.22 2rjs h LEU 159 N 0.07 0.10 -0.96 2.35 3.38 -1.36 -2.48 115.31 116.41 2rjs h LEU 159 Ca 0.14 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 2rjs h LEU 159 Cb 0.19 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2rjs h LEU 159 CO -0.25 0.38 -0.24 0.28 0.09 0.00 0.00 178.44 178.69 2rjs h SER 160 N 0.09 0.47 0.04 -0.43 0.02 0.08 0.23 113.55 114.05 2rjs h SER 160 Ca 0.01 -0.16 -0.09 0.00 -0.84 0.00 0.00 61.79 60.72 2rjs h SER 160 Cb 0.54 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 2rjs h SER 160 CO 0.04 0.72 -0.27 0.45 -1.14 0.00 0.00 176.83 176.63 2rjs h HIS 161 N 0.42 0.41 -0.00 3.45 3.86 -0.93 -0.39 115.15 121.97 2rjs h HIS 161 Ca 0.06 -0.08 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2rjs h HIS 161 Cb 0.65 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 29.02 2rjs h HIS 161 CO 0.02 0.61 -0.00 0.28 0.86 0.00 0.00 177.93 179.70 2rjs h VAL 162 N 0.33 1.43 -0.63 2.45 2.07 -1.02 -3.00 116.25 117.88 2rjs h VAL 162 Ca 0.05 -1.26 0.12 0.00 0.82 0.00 0.00 66.70 66.43 2rjs h VAL 162 Cb 0.65 2.28 -0.04 0.00 -1.52 0.00 0.00 31.29 32.66 2rjs h VAL 162 CO 0.05 0.33 0.42 0.00 0.02 0.00 0.00 177.57 178.39 2rjs h ALA 163 N 0.47 2.13 0.01 1.67 0.00 -0.40 -2.10 119.26 121.03 2rjs h ALA 163 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2rjs h ALA 163 Cb 0.54 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2rjs h ALA 163 CO 0.00 -0.29 -0.13 0.77 0.00 0.00 0.00 179.25 179.60 2rjs h SER 164 N 0.34 -0.38 0.01 0.00 0.02 -0.92 -1.16 113.55 111.46 2rjs h SER 164 Ca 0.30 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 2rjs h SER 164 Cb 0.71 0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.41 2rjs h SER 164 CO -0.08 -0.19 0.00 0.71 -1.14 0.00 0.00 176.83 176.14 2rjs h THR 165 N -0.23 0.00 0.00 -2.27 1.35 -1.02 0.24 112.91 110.99 2rjs h THR 165 Ca 0.04 -0.01 -0.13 0.00 -0.55 0.00 0.00 66.41 65.77 2rjs h THR 165 Cb 0.28 0.82 -0.02 0.00 -1.73 0.00 0.00 68.15 67.50 2rjs h THR 165 CO -0.12 0.00 -0.63 0.25 -0.25 0.00 0.00 175.52 174.76 2rjs h LEU 166 N 0.00 0.00 -3.40 3.87 5.85 -1.12 -3.17 115.31 117.34 2rjs h LEU 166 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2rjs h LEU 166 Cb 0.01 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2rjs h LEU 166 CO 0.00 0.63 0.01 2.30 -0.34 0.00 0.00 178.44 181.05 2rjs n ILE 167 N -3.65 2.51 -1.00 4.05 -5.35 -0.05 -2.31 119.36 113.55 2rjs n ILE 167 Ca -0.01 -1.72 0.00 0.00 -0.27 0.00 0.00 62.75 60.75 2rjs n ILE 167 Cb 0.66 -0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.28 2rjs n ILE 167 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2rjs n GLY 168 N -0.10 0.52 2.55 3.28 0.00 -1.09 -4.72 105.19 105.64 2rjs n GLY 168 Ca 0.25 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.08 2rjs n GLY 168 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2rjs n GLU 169 N -2.76 0.99 0.00 1.61 1.02 -0.46 -2.58 120.64 118.45 2rjs n GLU 169 Ca 0.00 -2.36 0.00 0.00 -0.02 0.00 0.00 57.16 54.78 2rjs n GLU 169 Cb 0.02 0.34 0.00 0.00 -0.02 0.00 0.00 31.44 31.77 2rjs n GLU 169 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rjs n GLY 170 N 0.59 0.29 3.01 0.62 0.00 -1.26 -2.41 105.19 106.04 2rjs n GLY 170 Ca -0.04 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 45.02 2rjs n GLY 170 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2rjs s TYR 171 N 0.00 0.29 0.11 1.61 1.51 -1.26 -2.44 117.35 117.17 2rjs s TYR 171 Ca 0.00 -0.60 0.07 0.00 -1.01 0.00 0.00 57.07 55.53 2rjs s TYR 171 Cb 0.00 -0.22 -0.04 0.00 -0.11 0.00 0.00 41.96 41.59 2rjs s TYR 171 CO 0.00 -0.23 -0.11 0.14 -1.11 0.00 0.00 175.55 174.23 2rjs s VAL 172 N -1.93 3.28 -0.22 0.71 -7.23 0.33 -0.86 120.40 114.48 2rjs s VAL 172 Ca -0.12 -1.33 -0.17 0.00 -1.81 0.00 0.00 61.98 58.56 2rjs s VAL 172 Cb -0.06 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 2rjs s VAL 172 CO -0.03 0.10 0.44 -0.22 -0.31 0.00 0.00 175.10 175.08 2rjs s LEU 173 N -2.23 4.12 -0.19 1.32 2.96 0.58 -0.36 118.68 124.88 2rjs s LEU 173 Ca 0.21 0.52 -0.08 0.00 -0.22 0.00 0.00 54.13 54.55 2rjs s LEU 173 Cb -0.11 -2.56 0.08 0.00 0.50 0.00 0.00 46.19 44.10 2rjs s LEU 173 CO 0.13 -0.14 0.43 0.00 -1.32 0.00 0.00 176.35 175.45 2rjs s ARG 174 N 1.63 0.37 -1.11 1.98 1.70 -0.81 -4.44 118.95 118.26 2rjs s ARG 174 Ca 0.20 0.93 0.00 0.00 -0.47 0.00 0.00 55.73 56.39 2rjs s ARG 174 Cb -0.15 0.17 0.00 0.00 -0.57 0.00 0.00 34.95 34.40 2rjs s ARG 174 CO 0.09 -0.21 0.00 -0.25 -1.08 0.00 0.00 175.30 173.85 2rjs n ASP 175 N 4.85 -4.07 0.00 -2.89 8.00 -1.26 -2.50 116.55 118.68 2rjs n ASP 175 Ca -0.16 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.48 2rjs n ASP 175 Cb 0.52 -2.95 0.00 0.00 -0.02 0.00 0.00 41.12 38.67 2rjs n ASP 175 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rjs n GLY 176 N -1.27 1.74 3.57 0.44 0.00 -1.26 -5.02 105.19 103.38 2rjs n GLY 176 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 2rjs n GLY 176 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rjs s ARG 177 N -0.15 2.39 0.01 1.61 0.52 -1.04 -5.03 118.95 117.26 2rjs s ARG 177 Ca 0.00 -0.82 -0.30 0.00 -0.52 0.00 0.00 55.73 54.08 2rjs s ARG 177 Cb 0.00 -2.41 -0.04 0.00 0.52 0.00 0.00 34.95 33.02 2rjs s ARG 177 CO 0.00 0.57 1.08 -1.25 0.02 0.00 0.00 175.30 175.73 2rjs s PRO 178 N -1.57 4.49 -0.08 3.54 0.04 -1.26 -1.93 135.00 138.23 2rjs s PRO 178 Ca 0.18 1.58 0.02 0.00 0.04 0.00 0.00 61.00 62.81 2rjs s PRO 178 Cb -0.11 -3.43 0.01 0.00 0.04 0.00 0.00 34.50 31.01 2rjs s PRO 178 CO 0.08 -0.18 -0.15 0.08 0.04 0.00 0.00 177.00 176.88 2rjs s VAL 179 N 1.18 1.35 -0.28 -0.36 1.01 0.51 -4.91 120.40 118.91 2rjs s VAL 179 Ca 0.55 -0.60 -0.42 0.00 0.00 0.00 0.00 61.98 61.51 2rjs s VAL 179 Cb -0.24 -1.22 -0.19 0.00 0.00 0.00 0.00 36.38 34.73 2rjs s VAL 179 CO 0.27 0.40 1.31 -0.62 0.00 0.00 0.00 175.10 176.47 2rjs n GLU 180 N 3.84 0.00 0.06 2.72 1.02 -1.26 -0.51 120.64 126.51 2rjs n GLU 180 Ca -0.21 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 56.82 2rjs n GLU 180 Cb 0.52 -1.43 -0.05 0.00 -0.02 0.00 0.00 31.44 30.46 2rjs n GLU 180 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2rjs h THR 181 N 3.96 0.63 -0.82 2.62 2.02 -1.70 -2.97 112.91 116.66 2rjs h THR 181 Ca -0.45 0.00 0.16 0.00 0.77 0.00 0.00 66.41 66.89 2rjs h THR 181 Cb 1.33 0.63 -0.15 0.00 -1.74 0.00 0.00 68.15 68.21 2rjs h THR 181 CO 0.80 0.00 -0.24 0.00 0.37 0.00 0.00 175.52 176.45 2rjs h ALA 182 N 0.67 0.44 0.16 6.16 0.00 -1.79 0.93 119.26 125.83 2rjs h ALA 182 Ca 0.05 0.30 0.01 0.00 0.00 0.00 0.00 54.91 55.27 2rjs h ALA 182 Cb 0.32 0.69 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2rjs h ALA 182 CO -0.14 -0.46 -0.26 0.37 0.00 0.00 0.00 179.25 178.76 2rjs h GLN 183 N -0.02 -0.48 -0.78 0.00 4.15 -1.86 -2.02 115.11 114.09 2rjs h GLN 183 Ca 0.37 0.03 0.12 0.00 0.77 0.00 0.00 58.65 59.95 2rjs h GLN 183 Cb 0.60 0.11 -0.08 0.00 0.21 0.00 0.00 27.48 28.31 2rjs h GLN 183 CO -0.85 -0.32 0.39 0.28 -1.93 0.00 0.00 178.83 176.40 2rjs h VAL 184 N -0.50 0.78 -0.48 2.39 2.07 -0.80 -0.09 116.25 119.62 2rjs h VAL 184 Ca 0.02 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 67.26 2rjs h VAL 184 Cb 0.51 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 2rjs h VAL 184 CO -0.12 0.11 0.02 -0.07 0.02 0.00 0.00 177.57 177.52 2rjs h LEU 185 N 0.61 0.75 -0.56 2.57 3.38 -0.70 -2.45 115.31 118.91 2rjs h LEU 185 Ca 0.41 -0.17 -0.16 0.00 0.09 0.00 0.00 57.88 58.05 2rjs h LEU 185 Cb 0.51 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2rjs h LEU 185 CO -0.32 0.81 -0.59 0.00 0.09 0.00 0.00 178.44 178.42 2rjs h ALA 186 N 1.28 0.75 0.00 1.53 0.00 -0.58 -1.34 119.26 120.90 2rjs h ALA 186 Ca 0.15 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2rjs h ALA 186 Cb 0.43 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2rjs h ALA 186 CO 0.02 0.71 0.00 0.39 0.00 0.00 0.00 179.25 180.37 2rjs n GLU 187 N -3.91 0.89 0.00 0.00 1.02 -0.14 -2.81 120.64 115.69 2rjs n GLU 187 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2rjs n GLU 187 Cb 0.62 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.70 2rjs n GLU 187 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2rjs n ARG 188 N -0.07 0.00 0.00 3.49 1.74 -1.03 -5.02 116.66 115.77 2rjs n ARG 188 Ca 0.00 -0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 2rjs n ARG 188 Cb 0.17 -0.28 0.00 0.00 -1.02 0.00 0.00 32.46 31.33 2rjs n ARG 188 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2rjs n GLY 189 N 0.00 2.82 3.74 -0.13 0.00 -0.73 -5.01 105.19 105.88 2rjs n GLY 189 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2rjs n GLY 189 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rjs s ILE 190 N -2.81 3.32 -0.26 -0.61 1.01 -0.58 -4.97 121.20 116.30 2rjs s ILE 190 Ca 0.00 1.08 -0.09 0.00 0.00 0.00 0.00 60.65 61.63 2rjs s ILE 190 Cb 0.00 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 2rjs s ILE 190 CO 0.00 0.16 0.14 -1.61 0.00 0.00 0.00 174.94 173.63 2rjs s GLU 191 N -0.06 3.88 0.44 2.79 0.41 -1.26 -4.28 118.70 120.62 2rjs s GLU 191 Ca 0.56 -0.36 -0.21 0.00 -0.41 0.00 0.00 54.97 54.55 2rjs s GLU 191 Cb -0.35 -3.50 -0.13 0.00 -1.78 0.00 0.00 34.13 28.37 2rjs s GLU 191 CO 0.37 -0.10 0.41 -2.30 -0.49 0.00 0.00 175.26 173.16 2rjs n PRO 192 N 4.75 0.42 -2.30 0.39 -0.02 -1.26 -4.99 135.00 131.99 2rjs n PRO 192 Ca -0.15 0.15 -0.26 0.00 -2.02 0.00 0.00 63.50 61.23 2rjs n PRO 192 Cb 0.52 -1.40 0.11 0.00 -0.02 0.00 0.00 33.50 32.70 2rjs n PRO 192 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2rjs s LEU 193 N 2.31 2.88 -0.12 2.45 1.43 -0.98 -4.97 118.68 121.68 2rjs s LEU 193 Ca 0.63 0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 53.82 2rjs s LEU 193 Cb -0.58 -2.51 0.03 0.00 0.03 0.00 0.00 46.19 43.15 2rjs s LEU 193 CO 0.59 -1.93 -0.06 -0.70 0.23 0.00 0.00 176.35 174.48 2rjs s GLU 194 N -5.34 1.36 0.15 1.70 2.12 -1.26 -4.54 118.70 112.89 2rjs s GLU 194 Ca 0.65 -0.25 -0.31 0.00 0.36 0.00 0.00 54.97 55.42 2rjs s GLU 194 Cb -0.07 -1.59 -0.09 0.00 0.26 0.00 0.00 34.13 32.63 2rjs s GLU 194 CO 0.46 -0.31 1.55 -0.51 -0.54 0.00 0.00 175.26 175.91 2rjs s LEU 195 N 1.74 4.37 0.00 2.70 1.43 -1.26 -5.02 118.68 122.64 2rjs s LEU 195 Ca 0.04 2.55 0.00 0.00 -1.03 0.00 0.00 54.13 55.69 2rjs s LEU 195 Cb -0.13 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.50 2rjs s LEU 195 CO -0.08 -0.80 0.00 0.54 0.23 0.00 0.00 176.35 176.24 2rjs n ARG 196 N 4.14 3.24 -1.68 1.70 1.74 -1.26 -4.33 116.66 120.21 2rjs n ARG 196 Ca 0.14 0.00 -0.47 0.00 -0.77 0.00 0.00 57.85 56.75 2rjs n ARG 196 Cb 0.39 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.79 2rjs n ARG 196 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2rjs n PHE 197 N 0.00 2.35 -0.48 -1.55 3.72 -1.26 -2.61 117.46 117.63 2rjs n PHE 197 Ca 0.00 0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 2rjs n PHE 197 Cb 0.00 -2.65 0.00 0.00 -0.94 0.00 0.00 39.48 35.89 2rjs n PHE 197 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2rjs n LYS 198 N 5.78 0.00 0.01 -1.08 4.81 -1.26 -4.84 118.16 121.59 2rjs n LYS 198 Ca 0.21 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.54 2rjs n LYS 198 Cb 0.31 -3.74 0.02 0.00 0.02 0.00 0.00 35.03 31.64 2rjs n LYS 198 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2rjs h GLU 199 N 0.81 0.55 -0.04 1.64 5.08 -1.84 -1.02 114.58 119.77 2rjs h GLU 199 Ca 0.00 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 2rjs h GLU 199 Cb 0.00 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 2rjs h GLU 199 CO 0.00 1.01 -0.01 0.78 -1.00 0.00 0.00 179.01 179.79 2rjs h GLY 200 N 1.05 0.08 0.56 -3.84 0.00 -1.83 -2.74 103.07 96.36 2rjs h GLY 200 Ca -0.01 -0.07 0.06 0.00 0.00 0.00 0.00 47.33 47.30 2rjs h GLY 200 CO 0.12 0.07 0.12 -2.00 0.00 0.00 0.00 176.54 174.85 2rjs h LEU 201 N -0.31 0.10 -1.19 3.11 5.85 -1.85 -2.59 115.31 118.42 2rjs h LEU 201 Ca 0.01 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2rjs h LEU 201 Cb 0.43 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 2rjs h LEU 201 CO 0.00 0.09 0.40 0.00 -0.34 0.00 0.00 178.44 178.59 2rjs h ALA 202 N 1.29 1.39 -0.06 1.25 0.00 -1.20 0.52 119.26 122.45 2rjs h ALA 202 Ca 0.20 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2rjs h ALA 202 Cb 0.21 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2rjs h ALA 202 CO -0.23 0.51 -0.33 -0.07 0.00 0.00 0.00 179.25 179.13 2rjs h LEU 203 N 0.96 0.12 0.00 0.00 3.38 -1.15 -3.30 115.31 115.32 2rjs h LEU 203 Ca 0.25 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2rjs h LEU 203 Cb -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2rjs h LEU 203 CO -0.04 0.46 -0.68 2.30 0.09 0.00 0.00 178.44 180.56 2rjs n ILE 204 N -4.11 0.00 -1.86 1.22 -5.35 -1.01 -4.77 119.36 103.47 2rjs n ILE 204 Ca -0.02 -0.23 -0.37 0.00 -0.27 0.00 0.00 62.75 61.86 2rjs n ILE 204 Cb 0.40 0.90 -0.02 0.00 -1.74 0.00 0.00 39.64 39.19 2rjs n ILE 204 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2rjs n ASN 205 N -1.36 7.74 -0.89 7.28 5.15 0.14 -3.97 115.26 129.35 2rjs n ASN 205 Ca 0.02 -3.13 0.00 0.00 -0.60 0.00 0.00 54.58 50.87 2rjs n ASN 205 Cb 0.20 -1.34 0.00 0.00 -0.53 0.00 0.00 39.78 38.11 2rjs n ASN 205 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2rjs n GLY 206 N 1.62 2.87 1.13 8.20 0.00 -1.26 -3.78 105.19 113.97 2rjs n GLY 206 Ca 0.60 -1.23 0.08 0.00 0.00 0.00 0.00 46.02 45.48 2rjs n GLY 206 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2rjs n THR 207 N 0.00 1.98 0.09 2.61 -2.24 -1.26 -1.85 114.28 113.61 2rjs n THR 207 Ca 0.00 -1.48 0.18 0.00 -2.27 0.00 0.00 64.05 60.48 2rjs n THR 207 Cb 0.00 -0.01 0.73 0.00 -2.10 0.00 0.00 70.33 68.94 2rjs n THR 207 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2rjs h SER 208 N 2.65 0.00 0.64 3.42 0.02 -1.90 0.94 113.55 119.32 2rjs h SER 208 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2rjs h SER 208 Cb 1.37 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.92 2rjs h SER 208 CO 0.21 0.00 -0.31 1.23 -1.14 0.00 0.00 176.83 176.83 2rjs h GLY 209 N 0.00 -0.90 1.67 -3.77 0.00 -1.87 -0.36 103.07 97.84 2rjs h GLY 209 Ca 0.18 0.33 -0.16 0.00 0.00 0.00 0.00 47.33 47.68 2rjs h GLY 209 CO -0.00 -0.33 -0.64 0.00 0.00 0.00 0.00 176.54 175.57 2rjs h MET 210 N -1.09 0.34 -0.32 4.80 -0.00 -1.81 -2.59 114.93 114.26 2rjs h MET 210 Ca -0.09 -0.24 -0.17 0.00 -0.00 0.00 0.00 59.70 59.20 2rjs h MET 210 Cb 0.70 0.04 -0.00 0.00 -0.00 0.00 0.00 31.60 32.34 2rjs h MET 210 CO 0.14 0.86 -0.47 1.15 -0.00 0.00 0.00 176.91 178.59 2rjs h THR 211 N 0.24 1.28 0.01 -0.10 2.02 -0.87 0.26 112.91 115.75 2rjs h THR 211 Ca -0.01 -1.65 -0.00 0.00 0.77 0.00 0.00 66.41 65.51 2rjs h THR 211 Cb 1.17 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 69.10 2rjs h THR 211 CO 0.10 0.54 -0.00 1.23 0.37 0.00 0.00 175.52 177.76 2rjs h GLY 212 N 0.77 -0.01 0.90 2.16 0.00 -1.09 -2.32 103.07 103.49 2rjs h GLY 212 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 2rjs h GLY 212 CO 0.11 -0.00 0.10 -2.00 0.00 0.00 0.00 176.54 174.74 2rjs h LEU 213 N -0.49 0.36 -2.05 3.11 5.85 -1.49 -2.66 115.31 117.94 2rjs h LEU 213 Ca -0.00 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 2rjs h LEU 213 Cb 0.48 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 2rjs h LEU 213 CO 0.00 0.44 -0.09 1.23 -0.34 0.00 0.00 178.44 179.68 2rjs h GLY 214 N 0.26 0.00 0.72 3.75 0.00 -0.55 -1.90 103.07 105.35 2rjs h GLY 214 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 2rjs h GLY 214 CO -0.01 0.00 -0.03 1.76 0.00 0.00 0.00 176.54 178.27 2rjs h SER 215 N 0.00 0.21 -0.53 0.19 0.02 -1.06 0.28 113.55 112.67 2rjs h SER 215 Ca -0.00 -0.37 0.05 0.00 -0.84 0.00 0.00 61.79 60.63 2rjs h SER 215 Cb 0.21 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.65 2rjs h SER 215 CO 0.01 0.54 0.26 -0.07 -1.14 0.00 0.00 176.83 176.43 2rjs h LEU 216 N -0.12 0.36 0.16 5.07 3.38 -1.27 -1.23 115.31 121.67 2rjs h LEU 216 Ca 0.03 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2rjs h LEU 216 Cb 0.45 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2rjs h LEU 216 CO 0.01 0.25 -0.08 0.58 0.09 0.00 0.00 178.44 179.29 2rjs h VAL 217 N 0.50 0.90 -0.96 1.22 2.07 -1.21 -1.64 116.25 117.12 2rjs h VAL 217 Ca 0.24 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2rjs h VAL 217 Cb 0.16 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 2rjs h VAL 217 CO -0.17 0.06 0.60 0.58 0.02 0.00 0.00 177.57 178.66 2rjs h VAL 218 N -0.34 1.26 -0.42 2.57 2.07 -0.80 0.59 116.25 121.19 2rjs h VAL 218 Ca -0.02 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 2rjs h VAL 218 Cb 0.27 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.90 2rjs h VAL 218 CO 0.04 0.26 0.24 1.23 0.02 0.00 0.00 177.57 179.36 2rjs h GLY 219 N 1.31 0.62 1.70 2.17 0.00 -1.14 -1.91 103.07 105.83 2rjs h GLY 219 Ca 0.35 -0.27 -0.13 0.00 0.00 0.00 0.00 47.33 47.28 2rjs h GLY 219 CO -0.07 0.26 -0.47 3.21 0.00 0.00 0.00 176.54 179.47 2rjs h ARG 220 N 0.55 0.32 -0.65 4.80 3.08 -0.69 -2.90 114.38 118.89 2rjs h ARG 220 Ca 0.15 -0.18 0.03 0.00 0.07 0.00 0.00 59.98 60.06 2rjs h ARG 220 Cb 0.03 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 2rjs h ARG 220 CO -0.03 0.73 0.39 0.00 -1.07 0.00 0.00 179.97 180.00 2rjs h ALA 221 N 1.24 0.85 -0.50 0.04 0.00 0.60 0.25 119.26 121.74 2rjs h ALA 221 Ca 0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2rjs h ALA 221 Cb 0.93 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2rjs h ALA 221 CO 0.08 0.13 0.20 -0.07 0.00 0.00 0.00 179.25 179.59 2rjs h LEU 222 N 0.76 0.70 -1.38 0.00 3.38 -1.19 0.36 115.31 117.95 2rjs h LEU 222 Ca 0.27 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 2rjs h LEU 222 Cb 0.05 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2rjs h LEU 222 CO -0.12 0.68 -0.11 -0.33 0.09 0.00 0.00 178.44 178.65 2rjs h GLU 223 N 0.68 0.27 -0.05 1.13 5.08 -1.23 -0.83 114.58 119.63 2rjs h GLU 223 Ca 0.17 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.35 2rjs h GLU 223 Cb 0.20 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2rjs h GLU 223 CO -0.01 0.40 -0.51 0.37 -1.00 0.00 0.00 179.01 178.25 2rjs h GLN 224 N 0.26 0.14 -0.40 2.33 4.15 0.31 -0.31 115.11 121.58 2rjs h GLN 224 Ca 0.05 -0.08 -0.07 0.00 0.77 0.00 0.00 58.65 59.32 2rjs h GLN 224 Cb 0.36 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 2rjs h GLN 224 CO 0.02 0.62 -0.03 0.00 -1.93 0.00 0.00 178.83 177.51 2rjs h ALA 225 N 1.37 0.54 -0.04 3.38 0.00 0.37 -0.90 119.26 123.99 2rjs h ALA 225 Ca 0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2rjs h ALA 225 Cb 0.94 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2rjs h ALA 225 CO 0.07 0.35 0.02 1.96 0.00 0.00 0.00 179.25 181.65 2rjs h GLN 226 N 0.55 0.05 0.00 0.00 4.20 -0.89 -1.40 115.11 117.63 2rjs h GLN 226 Ca 0.11 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 2rjs h GLN 226 Cb 0.52 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.29 2rjs h GLN 226 CO 0.03 0.17 -0.14 1.96 -0.67 0.00 0.00 178.83 180.17 2rjs h GLN 227 N -0.07 0.00 -0.22 1.46 4.20 -0.99 0.10 115.11 119.59 2rjs h GLN 227 Ca 0.01 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.52 2rjs h GLN 227 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 2rjs h GLN 227 CO -0.00 0.14 -0.65 0.00 -0.67 0.00 0.00 178.83 177.66 2rjs h ALA 228 N 1.86 0.42 -0.43 3.87 0.00 -0.83 -2.05 119.26 122.10 2rjs h ALA 228 Ca -0.00 -0.55 -0.10 0.00 0.00 0.00 0.00 54.91 54.25 2rjs h ALA 228 Cb 0.39 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2rjs h ALA 228 CO 0.02 0.69 -0.16 0.93 0.00 0.00 0.00 179.25 180.73 2rjs h GLU 229 N 0.60 0.81 0.20 0.00 5.08 -0.15 -1.06 114.58 120.05 2rjs h GLU 229 Ca -0.01 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 2rjs h GLU 229 Cb 1.26 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2rjs h GLU 229 CO 0.14 0.91 -0.09 0.82 -1.00 0.00 0.00 179.01 179.78 2rjs h ILE 230 N 0.72 0.84 -0.12 3.13 2.04 -0.70 -0.54 117.51 122.88 2rjs h ILE 230 Ca 0.11 -0.18 -0.10 0.00 1.00 0.00 0.00 64.86 65.69 2rjs h ILE 230 Cb 0.66 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 2rjs h ILE 230 CO 0.05 0.04 -0.37 1.62 0.00 0.00 0.00 178.15 179.49 2rjs h VAL 231 N -0.35 1.29 -0.55 1.67 3.04 -1.35 -2.27 116.25 117.73 2rjs h VAL 231 Ca -0.03 -1.43 -0.06 0.00 -1.01 0.00 0.00 66.70 64.17 2rjs h VAL 231 Cb 0.27 1.62 -0.02 0.00 -2.01 0.00 0.00 31.29 31.14 2rjs h VAL 231 CO 0.04 0.43 0.09 0.74 -1.01 0.00 0.00 177.57 177.86 2rjs h THR 232 N 0.22 1.24 -0.48 3.17 2.02 -0.97 -0.90 112.91 117.21 2rjs h THR 232 Ca 0.02 -0.91 -0.13 0.00 0.77 0.00 0.00 66.41 66.17 2rjs h THR 232 Cb 0.76 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 2rjs h THR 232 CO 0.06 0.33 -0.20 0.00 0.37 0.00 0.00 175.52 176.08 2rjs h ALA 233 N 1.27 0.74 -0.37 6.16 0.00 -0.75 -0.37 119.26 125.94 2rjs h ALA 233 Ca 0.17 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 2rjs h ALA 233 Cb 0.37 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2rjs h ALA 233 CO 0.01 0.67 0.04 1.25 0.00 0.00 0.00 179.25 181.22 2rjs h LEU 234 N 0.84 0.60 0.05 0.00 5.85 -1.08 -2.19 115.31 119.38 2rjs h LEU 234 Ca 0.11 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 2rjs h LEU 234 Cb 0.77 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.64 2rjs h LEU 234 CO 0.06 0.72 -0.02 0.25 -0.34 0.00 0.00 178.44 179.11 2rjs h LEU 235 N 0.45 -0.05 -1.14 2.25 5.85 -1.06 -0.78 115.31 120.83 2rjs h LEU 235 Ca 0.11 -0.05 0.17 0.00 0.84 0.00 0.00 57.88 58.95 2rjs h LEU 235 Cb 0.39 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.34 2rjs h LEU 235 CO 0.01 0.02 0.61 0.40 -0.34 0.00 0.00 178.44 179.14 2rjs h ILE 236 N -0.12 0.77 -0.15 4.05 2.04 -0.98 -0.50 117.51 122.61 2rjs h ILE 236 Ca -0.01 -0.25 -0.20 0.00 1.00 0.00 0.00 64.86 65.40 2rjs h ILE 236 Cb 0.10 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.15 2rjs h ILE 236 CO 0.01 0.14 -0.72 -0.33 0.00 0.00 0.00 178.15 177.24 2rjs h GLU 237 N 0.74 0.66 -0.52 2.37 5.08 -0.93 0.09 114.58 122.07 2rjs h GLU 237 Ca 0.52 -0.52 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2rjs h GLU 237 Cb 0.84 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 2rjs h GLU 237 CO -0.29 1.14 0.20 0.00 -1.00 0.00 0.00 179.01 179.06 2rjs h ALA 238 N 0.72 0.68 -0.22 3.43 0.00 0.34 -2.43 119.26 121.79 2rjs h ALA 238 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2rjs h ALA 238 Cb 1.33 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2rjs h ALA 238 CO 0.14 0.29 0.00 1.33 0.00 0.00 0.00 179.25 181.02 2rjs n VAL 239 N -4.53 0.28 -3.77 0.00 0.24 -0.48 -4.95 118.33 105.12 2rjs n VAL 239 Ca 0.02 -0.37 -0.23 0.00 -2.04 0.00 0.00 64.34 61.72 2rjs n VAL 239 Cb 0.16 0.30 0.02 0.00 -1.47 0.00 0.00 33.84 32.85 2rjs n VAL 239 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2rjs n ARG 240 N 0.34 -3.98 -1.53 7.34 1.74 -0.66 -4.98 116.66 114.93 2rjs n ARG 240 Ca 0.15 0.54 -0.30 0.00 -0.77 0.00 0.00 57.85 57.47 2rjs n ARG 240 Cb 0.31 -4.88 0.18 0.00 -1.02 0.00 0.00 32.46 27.05 2rjs n ARG 240 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2rjs s GLY 241 N -4.26 1.64 0.28 -0.13 0.00 -0.07 -4.45 107.32 100.32 2rjs s GLY 241 Ca 0.06 -0.88 -0.27 0.00 0.00 0.00 0.00 44.72 43.63 2rjs s GLY 241 CO 0.84 -0.15 0.91 -0.45 0.00 0.00 0.00 173.10 174.25 2rjs s SER 242 N -4.27 7.41 0.23 1.64 0.15 -1.26 -2.56 113.70 115.05 2rjs s SER 242 Ca 0.69 1.82 0.24 0.00 0.70 0.00 0.00 55.95 59.40 2rjs s SER 242 Cb -0.10 -2.57 0.30 0.00 -1.71 0.00 0.00 66.02 61.95 2rjs s SER 242 CO 0.54 0.03 1.37 0.71 1.20 0.00 0.00 173.24 177.09 2rjs h THR 243 N 2.84 0.00 -0.94 6.45 1.35 -1.65 -3.38 112.91 117.58 2rjs h THR 243 Ca -0.46 -0.77 0.28 0.00 -0.55 0.00 0.00 66.41 64.91 2rjs h THR 243 Cb 1.20 1.48 -0.15 0.00 -1.73 0.00 0.00 68.15 68.95 2rjs h THR 243 CO 0.66 0.00 0.38 -1.28 -0.25 0.00 0.00 175.52 175.03 2rjs h SER 244 N 0.00 0.22 0.00 5.36 0.87 -1.94 -1.48 113.55 116.58 2rjs h SER 244 Ca 0.00 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 2rjs h SER 244 Cb 0.88 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 2rjs h SER 244 CO 0.00 -0.15 0.05 -0.65 -0.53 0.00 0.00 176.83 175.55 2rjs h PRO 245 N 0.26 0.00 -0.31 2.24 0.11 -1.89 -2.58 132.00 129.83 2rjs h PRO 245 Ca 0.64 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.75 2rjs h PRO 245 Cb 1.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.49 2rjs h PRO 245 CO -0.64 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.34 2rjs n PHE 246 N -2.62 0.40 -1.70 0.65 3.72 -0.56 -4.92 117.46 112.43 2rjs n PHE 246 Ca -0.02 -0.27 -0.43 0.00 -0.05 0.00 0.00 57.45 56.68 2rjs n PHE 246 Cb 0.10 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.60 2rjs n PHE 246 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2rjs n LEU 247 N 1.06 3.95 -0.30 4.37 4.77 -0.97 -4.79 117.00 125.08 2rjs n LEU 247 Ca 0.15 1.03 0.12 0.00 -0.03 0.00 0.00 56.01 57.28 2rjs n LEU 247 Cb 0.49 -1.55 0.28 0.00 -2.33 0.00 0.00 43.42 40.31 2rjs n LEU 247 CO 0.12 0.14 0.92 0.00 -1.33 0.00 0.00 177.39 177.24 2rjs h ALA 248 N 7.59 1.22 -0.01 -1.18 0.00 -1.93 0.41 119.26 125.36 2rjs h ALA 248 Ca -0.45 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2rjs h ALA 248 Cb 1.22 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 2rjs h ALA 248 CO 0.95 -0.47 0.17 1.05 0.00 0.00 0.00 179.25 180.95 2rjs h GLU 249 N 0.18 0.00 0.00 0.00 9.09 -1.97 0.13 114.58 122.01 2rjs h GLU 249 Ca 0.54 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.95 2rjs h GLU 249 Cb 1.09 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.19 2rjs h GLU 249 CO -0.67 0.00 -0.37 0.41 0.05 0.00 0.00 179.01 178.43 2rjs n GLY 250 N -1.16 -1.32 1.29 1.06 0.00 0.13 -2.24 105.19 102.95 2rjs n GLY 250 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2rjs n GLY 250 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2rjs n HIS 251 N -1.53 -0.64 -0.05 1.61 8.25 0.21 -3.72 115.22 119.35 2rjs n HIS 251 Ca 0.06 0.11 0.21 0.00 -0.26 0.00 0.00 57.72 57.84 2rjs n HIS 251 Cb 0.34 0.15 0.67 0.00 1.12 0.00 0.00 29.99 32.27 2rjs n HIS 251 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 2rjs h ASP 252 N 0.00 0.05 0.00 0.41 5.19 -1.15 -1.19 116.42 119.73 2rjs h ASP 252 Ca 0.00 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.33 2rjs h ASP 252 Cb 0.00 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.49 2rjs h ASP 252 CO 0.00 0.03 -1.05 -0.38 -3.12 0.00 0.00 179.24 174.71 2rjs n ILE 253 N -4.37 1.34 -0.11 0.35 5.41 -1.24 -4.59 119.36 116.15 2rjs n ILE 253 Ca 0.12 0.10 -0.12 0.00 1.00 0.00 0.00 62.75 63.85 2rjs n ILE 253 Cb 0.66 -2.05 0.01 0.00 -0.71 0.00 0.00 39.64 37.55 2rjs n ILE 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2rjs h ALA 254 N -0.71 0.66 -1.60 -1.39 0.00 -1.52 -3.40 119.26 111.29 2rjs h ALA 254 Ca -0.12 -0.43 -0.46 0.00 0.00 0.00 0.00 54.91 53.90 2rjs h ALA 254 Cb 0.89 -0.13 -0.31 0.00 0.00 0.00 0.00 17.79 18.23 2rjs h ALA 254 CO -0.07 0.67 -0.89 -2.13 0.00 0.00 0.00 179.25 176.83 2rjs n ARG 255 N -4.07 0.56 -0.60 0.00 0.63 -0.90 -4.97 116.66 107.32 2rjs n ARG 255 Ca -0.01 -2.79 -0.31 0.00 -0.92 0.00 0.00 57.85 53.82 2rjs n ARG 255 Cb 0.51 -1.41 -0.06 0.00 0.45 0.00 0.00 32.46 31.95 2rjs n ARG 255 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2rjs n PRO 256 N 2.01 0.72 -3.53 -0.14 -0.04 -0.50 -4.66 135.00 128.86 2rjs n PRO 256 Ca 0.21 -1.18 -0.37 0.00 -0.04 0.00 0.00 63.50 62.12 2rjs n PRO 256 Cb 0.54 -2.49 -0.08 0.00 -0.04 0.00 0.00 33.50 31.43 2rjs n PRO 256 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2rjs s HIS 257 N 5.47 3.35 0.06 0.54 3.76 -1.26 -4.99 115.29 122.22 2rjs s HIS 257 Ca 0.46 0.43 -0.13 0.00 -0.15 0.00 0.00 55.06 55.67 2rjs s HIS 257 Cb 0.11 -2.39 -0.04 0.00 1.11 0.00 0.00 32.58 31.37 2rjs s HIS 257 CO 0.15 0.05 1.23 1.49 -0.85 0.00 0.00 174.74 176.81 2rjs h GLU 258 N 7.36 -0.08 -0.82 1.40 4.81 -1.95 0.11 114.58 125.41 2rjs h GLU 258 Ca -0.37 0.01 0.19 0.00 -0.13 0.00 0.00 59.36 59.05 2rjs h GLU 258 Cb 1.16 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.51 2rjs h GLU 258 CO 0.69 -0.05 0.55 0.78 -0.73 0.00 0.00 179.01 180.25 2rjs h GLY 259 N -0.08 0.66 1.21 1.92 0.00 -1.91 -0.83 103.07 104.04 2rjs h GLY 259 Ca 0.05 -0.15 -0.12 0.00 0.00 0.00 0.00 47.33 47.11 2rjs h GLY 259 CO -0.32 0.02 -0.17 -1.61 0.00 0.00 0.00 176.54 174.46 2rjs h GLN 260 N 0.34 0.91 -0.47 4.80 4.15 -1.04 -2.05 115.11 121.76 2rjs h GLN 260 Ca 0.41 -0.35 -0.06 0.00 0.77 0.00 0.00 58.65 59.42 2rjs h GLN 260 Cb 1.09 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.72 2rjs h GLN 260 CO -0.13 1.00 0.07 0.82 -1.93 0.00 0.00 178.83 178.67 2rjs h ILE 261 N 0.80 1.25 0.80 2.39 2.04 0.29 -2.24 117.51 122.84 2rjs h ILE 261 Ca 0.12 -0.93 -0.04 0.00 1.00 0.00 0.00 64.86 65.01 2rjs h ILE 261 Cb 0.71 0.94 0.01 0.00 -0.74 0.00 0.00 36.82 37.74 2rjs h ILE 261 CO 0.05 0.33 -0.38 0.44 0.00 0.00 0.00 178.15 178.59 2rjs h ASP 262 N 0.65 -0.91 -0.23 1.72 3.32 -1.15 -1.33 116.42 118.48 2rjs h ASP 262 Ca 0.14 0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.28 2rjs h ASP 262 Cb 0.40 0.23 -0.07 0.00 0.22 0.00 0.00 39.33 40.12 2rjs h ASP 262 CO 0.01 -0.64 -0.26 0.74 -1.72 0.00 0.00 179.24 177.37 2rjs h THR 263 N -1.08 0.37 -0.98 0.35 2.02 -1.41 0.14 112.91 112.31 2rjs h THR 263 Ca -0.11 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.28 2rjs h THR 263 Cb 0.82 0.37 -0.11 0.00 -1.74 0.00 0.00 68.15 67.49 2rjs h THR 263 CO 0.18 0.00 0.57 0.00 0.37 0.00 0.00 175.52 176.64 2rjs h ALA 264 N 0.74 1.66 -0.25 6.16 0.00 -1.34 -0.17 119.26 126.07 2rjs h ALA 264 Ca 0.13 0.10 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 2rjs h ALA 264 Cb 0.48 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2rjs h ALA 264 CO -0.39 -0.15 -0.41 0.00 0.00 0.00 0.00 179.25 178.30 2rjs h ALA 265 N 1.67 0.38 -0.46 0.00 0.00 0.24 -2.46 119.26 118.63 2rjs h ALA 265 Ca 0.59 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2rjs h ALA 265 Cb 1.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2rjs h ALA 265 CO -0.43 0.49 0.07 -0.91 0.00 0.00 0.00 179.25 178.48 2rjs h ASN 266 N 0.44 0.67 -0.51 0.00 2.35 0.49 -1.43 115.58 117.59 2rjs h ASN 266 Ca 0.02 -0.12 -0.10 0.00 -0.55 0.00 0.00 56.30 55.54 2rjs h ASN 266 Cb 1.00 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.18 2rjs h ASN 266 CO 0.09 0.69 -0.09 0.24 -1.65 0.00 0.00 177.43 176.72 2rjs h MET 267 N 0.69 0.96 -0.41 0.81 2.86 -1.06 0.51 114.93 119.29 2rjs h MET 267 Ca 0.15 -0.35 -0.09 0.00 -2.06 0.00 0.00 59.70 57.35 2rjs h MET 267 Cb 0.32 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 2rjs h MET 267 CO 0.00 1.02 -0.12 0.00 1.06 0.00 0.00 176.91 178.87 2rjs h ARG 268 N 0.82 0.74 -0.03 1.72 3.08 -1.06 -1.39 114.38 118.26 2rjs h ARG 268 Ca 0.13 -0.24 -0.19 0.00 0.07 0.00 0.00 59.98 59.75 2rjs h ARG 268 Cb 0.64 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 2rjs h ARG 268 CO 0.04 0.83 -0.82 0.00 -1.07 0.00 0.00 179.97 178.95 2rjs h ALA 269 N 1.20 0.54 -0.11 0.04 0.00 -1.12 -2.72 119.26 117.09 2rjs h ALA 269 Ca 0.11 -0.66 -0.15 0.00 0.00 0.00 0.00 54.91 54.21 2rjs h ALA 269 Cb 0.58 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2rjs h ALA 269 CO 0.04 0.82 -0.59 -0.07 0.00 0.00 0.00 179.25 179.45 2rjs h LEU 270 N 0.20 0.40 -1.66 0.00 3.38 -0.61 -3.18 115.31 113.84 2rjs h LEU 270 Ca -0.04 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2rjs h LEU 270 Cb 1.42 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.05 2rjs h LEU 270 CO 0.13 0.89 0.00 0.23 0.09 0.00 0.00 178.44 179.79 2rjs n MET 271 N -3.90 2.12 -1.69 1.13 2.81 -0.55 -4.43 117.12 112.61 2rjs n MET 271 Ca -0.03 -1.65 -0.44 0.00 -1.81 0.00 0.00 57.70 53.77 2rjs n MET 271 Cb 0.61 -1.47 -0.04 0.00 -0.71 0.00 0.00 33.22 31.62 2rjs n MET 271 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 2rjs n ARG 272 N 0.95 2.51 -0.77 0.03 0.63 -1.03 -2.17 116.66 116.81 2rjs n ARG 272 Ca 0.17 0.91 0.00 0.00 -0.92 0.00 0.00 57.85 58.00 2rjs n ARG 272 Cb 0.50 -2.74 0.00 0.00 0.45 0.00 0.00 32.46 30.67 2rjs n ARG 272 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2rjs n GLY 273 N 3.91 0.67 3.77 5.14 0.00 -1.26 -4.29 105.19 113.13 2rjs n GLY 273 Ca 0.18 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 2rjs n GLY 273 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rjs s SER 274 N -2.64 6.80 0.00 1.61 0.15 -0.92 -4.18 113.70 114.51 2rjs s SER 274 Ca 0.00 0.95 0.24 0.00 0.70 0.00 0.00 55.95 57.84 2rjs s SER 274 Cb 0.00 -2.29 0.25 0.00 -1.71 0.00 0.00 66.02 62.26 2rjs s SER 274 CO 0.00 0.14 1.24 0.61 1.20 0.00 0.00 173.24 176.43 2rjs n GLY 275 N 2.58 -0.51 0.14 9.45 0.00 -0.46 -4.36 105.19 112.03 2rjs n GLY 275 Ca -0.09 -0.53 -0.21 0.00 0.00 0.00 0.00 46.02 45.19 2rjs n GLY 275 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2rjs n LEU 276 N -0.66 2.65 -4.73 0.99 4.77 -1.19 -4.94 117.00 113.88 2rjs n LEU 276 Ca 0.09 0.19 -0.32 0.00 -0.03 0.00 0.00 56.01 55.95 2rjs n LEU 276 Cb 0.39 -1.11 0.11 0.00 -2.33 0.00 0.00 43.42 40.49 2rjs n LEU 276 CO 0.31 0.85 0.71 0.42 -1.33 0.00 0.00 177.39 178.35 2rjs s THR 277 N -2.55 2.76 0.13 -5.08 -4.23 -1.26 -4.55 115.64 100.85 2rjs s THR 277 Ca -0.23 0.27 0.09 0.00 -1.18 0.00 0.00 61.69 60.63 2rjs s THR 277 Cb 0.07 -2.60 -0.04 0.00 1.34 0.00 0.00 72.50 71.27 2rjs s THR 277 CO 0.76 -0.30 -0.21 0.68 -0.54 0.00 0.00 174.62 175.01 2rjs s VAL 278 N -2.66 1.84 -0.03 2.29 -7.23 -1.06 -5.00 120.40 108.54 2rjs s VAL 278 Ca 0.65 -1.70 -0.03 0.00 -1.81 0.00 0.00 61.98 59.09 2rjs s VAL 278 Cb -0.21 -1.72 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 2rjs s VAL 278 CO 0.54 -0.12 0.16 -0.70 -0.31 0.00 0.00 175.10 174.68 2rjs s GLU 279 N -2.21 3.39 0.31 4.82 2.12 -1.26 -1.53 118.70 124.33 2rjs s GLU 279 Ca 0.11 -0.31 0.04 0.00 0.36 0.00 0.00 54.97 55.17 2rjs s GLU 279 Cb -0.09 -3.08 0.81 0.00 0.26 0.00 0.00 34.13 32.03 2rjs s GLU 279 CO 0.05 0.69 1.60 1.25 -0.54 0.00 0.00 175.26 178.32 2rjs h HIS 280 N 4.09 0.21 -0.40 5.30 -0.00 -1.96 0.83 115.15 123.22 2rjs h HIS 280 Ca -0.50 0.06 0.08 0.00 -0.00 0.00 0.00 60.37 60.01 2rjs h HIS 280 Cb 1.19 0.06 -0.07 0.00 -0.00 0.00 0.00 27.41 28.60 2rjs h HIS 280 CO 0.68 -0.36 -0.08 0.00 -0.00 0.00 0.00 177.93 178.18 2rjs h ALA 281 N 1.91 0.29 -0.39 5.26 0.00 -2.00 -1.60 119.26 122.73 2rjs h ALA 281 Ca 0.61 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.66 2rjs h ALA 281 Cb 1.32 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 2rjs h ALA 281 CO -0.81 -0.44 0.20 -0.44 0.00 0.00 0.00 179.25 177.77 2rjs h ASP 282 N 0.02 0.49 -0.07 0.00 3.32 -1.26 -2.31 116.42 116.63 2rjs h ASP 282 Ca 0.19 -0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.18 2rjs h ASP 282 Cb 0.29 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.66 2rjs h ASP 282 CO -0.39 0.46 -0.27 -0.07 -1.72 0.00 0.00 179.24 177.24 2rjs h LEU 283 N 0.49 -0.83 -1.07 1.55 3.38 -0.66 0.15 115.31 118.33 2rjs h LEU 283 Ca 0.14 0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.16 2rjs h LEU 283 Cb 0.08 0.35 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2rjs h LEU 283 CO -0.02 -0.33 -0.02 0.08 0.09 0.00 0.00 178.44 178.24 2rjs h ARG 284 N -0.38 0.63 -0.43 1.13 0.11 -1.30 0.31 114.38 114.46 2rjs h ARG 284 Ca 0.08 -0.16 -0.06 0.00 0.10 0.00 0.00 59.98 59.94 2rjs h ARG 284 Cb 0.50 -0.08 -0.02 0.00 1.11 0.00 0.00 29.97 31.48 2rjs h ARG 284 CO -0.28 0.67 0.03 0.00 0.10 0.00 0.00 179.97 180.49 2rjs h ARG 285 N 0.60 0.74 -0.10 0.08 3.08 -0.96 0.55 114.38 118.36 2rjs h ARG 285 Ca 0.12 -0.22 -0.10 0.00 0.07 0.00 0.00 59.98 59.86 2rjs h ARG 285 Cb 0.41 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 2rjs h ARG 285 CO 0.02 0.79 -0.38 1.49 -1.07 0.00 0.00 179.97 180.82 2rjs h GLU 286 N 0.58 0.21 0.01 0.04 4.81 -0.31 -2.11 114.58 117.81 2rjs h GLU 286 Ca 0.13 -0.09 -0.19 0.00 -0.13 0.00 0.00 59.36 59.07 2rjs h GLU 286 Cb 0.44 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 2rjs h GLU 286 CO 0.02 0.57 -0.91 1.25 -0.73 0.00 0.00 179.01 179.21 2rjs h LEU 287 N 0.18 0.04 -0.15 1.64 5.85 0.14 -2.94 115.31 120.08 2rjs h LEU 287 Ca 0.02 -0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.55 2rjs h LEU 287 Cb 0.76 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 2rjs h LEU 287 CO 0.06 0.92 -0.73 -0.61 -0.34 0.00 0.00 178.44 177.74 2rjs h GLN 288 N 0.01 0.00 0.00 1.25 4.15 0.31 -2.74 115.11 118.09 2rjs h GLN 288 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.40 2rjs h GLN 288 Cb 1.59 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.28 2rjs h GLN 288 CO 0.12 0.73 -0.06 1.63 -1.93 0.00 0.00 178.83 179.32 2rjs n LYS 289 N -3.36 0.03 0.08 1.69 5.02 -0.81 -2.51 118.16 118.29 2rjs n LYS 289 Ca 0.01 0.02 0.11 0.00 -2.02 0.00 0.00 58.31 56.43 2rjs n LYS 289 Cb 0.80 -1.53 -0.02 0.00 -0.02 0.00 0.00 35.03 34.26 2rjs n LYS 289 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2rjs n ASP 290 N -1.59 0.68 -4.77 4.39 -0.08 -1.11 -4.86 116.55 109.21 2rjs n ASP 290 Ca 0.07 0.23 -0.39 0.00 -1.51 0.00 0.00 54.79 53.18 2rjs n ASP 290 Cb 0.35 0.72 -0.06 0.00 2.34 0.00 0.00 41.12 44.48 2rjs n ASP 290 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2rjs s LYS 291 N -3.37 4.45 -0.22 -0.67 1.02 -1.05 -5.05 119.74 114.86 2rjs s LYS 291 Ca -0.01 1.01 -0.05 0.00 0.02 0.00 0.00 55.97 56.94 2rjs s LYS 291 Cb 0.11 -3.29 -0.02 0.00 -0.52 0.00 0.00 37.83 34.11 2rjs s LYS 291 CO 0.81 0.49 -0.00 -1.21 -0.92 0.00 0.00 175.35 174.52 2rjs s GLU 292 N -0.77 3.53 0.54 1.68 0.41 -1.26 -4.96 118.70 117.87 2rjs s GLU 292 Ca 0.35 -0.55 0.07 0.00 -0.41 0.00 0.00 54.97 54.42 2rjs s GLU 292 Cb -0.21 -3.10 0.37 0.00 -1.78 0.00 0.00 34.13 29.41 2rjs s GLU 292 CO 0.23 -0.11 1.13 0.00 -0.49 0.00 0.00 175.26 176.03 2rjs h ALA 293 N 7.88 1.66 0.12 5.21 0.00 -1.97 -3.15 119.26 129.01 2rjs h ALA 293 Ca -0.38 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2rjs h ALA 293 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2rjs h ALA 293 CO 0.60 -0.66 -0.06 0.78 0.00 0.00 0.00 179.25 179.91 2rjs h GLY 294 N 0.00 -0.16 -4.43 0.00 0.00 -2.04 -3.46 103.07 92.97 2rjs h GLY 294 Ca 0.00 0.06 -0.59 0.00 0.00 0.00 0.00 47.33 46.80 2rjs h GLY 294 CO 0.00 -0.06 -0.25 -1.59 0.00 0.00 0.00 176.54 174.64 2rjs s LYS 295 N -4.13 3.73 0.02 4.80 -2.85 -1.19 -5.02 119.74 115.09 2rjs s LYS 295 Ca -0.15 0.12 -0.17 0.00 -1.00 0.00 0.00 55.97 54.77 2rjs s LYS 295 Cb 0.01 -2.94 -0.30 0.00 -2.06 0.00 0.00 37.83 32.55 2rjs s LYS 295 CO 0.59 0.52 1.04 -0.44 0.10 0.00 0.00 175.35 177.16 2rjs h ASP 296 N 3.41 0.76 -3.79 0.03 5.19 -1.90 -3.43 116.42 116.70 2rjs h ASP 296 Ca -0.48 -0.86 -0.65 0.00 -0.62 0.00 0.00 57.03 54.42 2rjs h ASP 296 Cb 1.18 -0.24 -0.37 0.00 0.18 0.00 0.00 39.33 40.08 2rjs h ASP 296 CO 0.68 1.55 -0.79 -0.69 -3.12 0.00 0.00 179.24 176.86 2rjs s VAL 297 N -2.82 1.96 0.15 -1.35 1.01 -1.26 -5.11 120.40 112.97 2rjs s VAL 297 Ca -0.11 -1.52 0.08 0.00 0.00 0.00 0.00 61.98 60.43 2rjs s VAL 297 Cb 0.04 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 2rjs s VAL 297 CO 0.90 -0.07 -0.17 0.00 0.00 0.00 0.00 175.10 175.76 2rjs s GLN 298 N 1.19 1.18 -0.04 2.72 -2.07 -1.26 -5.14 119.66 116.24 2rjs s GLN 298 Ca -0.07 -1.33 -0.16 0.00 -1.82 0.00 0.00 55.36 51.98 2rjs s GLN 298 Cb -0.20 -1.19 -0.05 0.00 -1.09 0.00 0.00 33.01 30.48 2rjs s GLN 298 CO -0.06 0.24 0.44 1.03 -1.32 0.00 0.00 175.29 175.62 2rjs s ARG 299 N -2.68 4.09 0.12 9.60 0.52 -1.26 -5.08 118.95 124.26 2rjs s ARG 299 Ca 0.13 0.43 0.07 0.00 -0.52 0.00 0.00 55.73 55.84 2rjs s ARG 299 Cb -0.06 -3.30 -0.04 0.00 0.52 0.00 0.00 34.95 32.08 2rjs s ARG 299 CO 0.05 0.50 -0.16 0.45 0.02 0.00 0.00 175.30 176.16 2rjs s SER 300 N -0.48 2.18 0.00 0.23 0.15 -1.26 -5.03 113.70 109.49 2rjs s SER 300 Ca 0.24 -0.77 0.24 0.00 0.70 0.00 0.00 55.95 56.36 2rjs s SER 300 Cb -0.16 -0.10 0.41 0.00 -1.71 0.00 0.00 66.02 64.46 2rjs s SER 300 CO 0.12 -0.08 1.39 -0.62 1.20 0.00 0.00 173.24 175.26 2rjs n GLU 301 N 0.70 2.34 -3.71 5.44 1.02 -1.26 -4.92 120.64 120.25 2rjs n GLU 301 Ca -0.17 -1.99 -0.37 0.00 -0.02 0.00 0.00 57.16 54.61 2rjs n GLU 301 Cb 0.56 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 30.43 2rjs n GLU 301 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2rjs s ILE 302 N -1.72 5.36 -0.39 -3.67 1.01 -1.26 -5.07 121.20 115.46 2rjs s ILE 302 Ca 0.35 0.39 -0.10 0.00 0.00 0.00 0.00 60.65 61.29 2rjs s ILE 302 Cb 0.21 -3.52 0.05 0.00 0.01 0.00 0.00 42.46 39.21 2rjs s ILE 302 CO 0.31 0.54 0.22 -0.31 0.00 0.00 0.00 174.94 175.70 2rjs s TYR 303 N -0.51 3.27 0.56 3.97 2.02 -1.26 -4.94 117.35 120.47 2rjs s TYR 303 Ca 0.16 -1.16 0.41 0.00 -0.37 0.00 0.00 57.07 56.10 2rjs s TYR 303 Cb -0.13 -2.60 2.16 0.00 -0.40 0.00 0.00 41.96 40.99 2rjs s TYR 303 CO 0.05 -0.72 2.29 1.25 -1.57 0.00 0.00 175.55 176.85 2rjs h LEU 304 N 8.43 0.00 -8.17 -1.29 5.85 -1.97 -3.42 115.31 114.73 2rjs h LEU 304 Ca -0.25 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.32 2rjs h LEU 304 Cb 1.10 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 41.95 2rjs h LEU 304 CO 0.70 0.01 -0.69 -1.10 -0.34 0.00 0.00 178.44 177.01 2rjs s GLN 305 N -4.13 0.53 0.38 1.25 -0.21 -1.26 -4.98 119.66 111.23 2rjs s GLN 305 Ca -0.04 -1.00 0.08 0.00 0.02 0.00 0.00 55.36 54.41 2rjs s GLN 305 Cb 0.13 0.10 -0.02 0.00 1.00 0.00 0.00 33.01 34.21 2rjs s GLN 305 CO 0.46 -0.07 0.34 0.15 -2.12 0.00 0.00 175.29 174.04 2rjs s LYS 306 N -2.96 2.61 0.86 2.91 -0.14 -1.26 -5.09 119.74 116.67 2rjs s LYS 306 Ca -0.01 -1.43 -0.13 0.00 -1.36 0.00 0.00 55.97 53.03 2rjs s LYS 306 Cb 0.01 -2.42 0.04 0.00 -1.68 0.00 0.00 37.83 33.78 2rjs s LYS 306 CO -0.06 -0.06 0.68 0.00 -0.76 0.00 0.00 175.35 175.15 2rjs n ALA 307 N -1.46 -1.58 -0.26 5.17 0.00 -1.26 -4.63 120.51 116.48 2rjs n ALA 307 Ca 0.01 -0.45 0.06 0.00 0.00 0.00 0.00 53.44 53.07 2rjs n ALA 307 Cb 0.61 -1.95 0.20 0.00 0.00 0.00 0.00 19.45 18.31 2rjs n ALA 307 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2rjs h TYR 308 N -1.14 0.52 -0.07 0.00 -1.99 -1.98 -0.47 116.97 111.84 2rjs h TYR 308 Ca -0.45 0.04 0.02 0.00 2.00 0.00 0.00 58.73 60.34 2rjs h TYR 308 Cb 1.30 -0.11 -0.00 0.00 2.00 0.00 0.00 36.73 39.92 2rjs h TYR 308 CO 0.40 0.05 0.31 0.66 -0.00 0.00 0.00 178.16 179.58 2rjs h SER 309 N 0.44 0.00 -0.09 3.88 4.64 -1.95 0.33 113.55 120.80 2rjs h SER 309 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 2rjs h SER 309 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 2rjs h SER 309 CO -0.42 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 175.72 2rjs n LEU 310 N -3.08 2.29 0.00 5.97 4.77 -0.22 -4.72 117.00 122.01 2rjs n LEU 310 Ca -0.01 -2.08 0.00 0.00 -0.03 0.00 0.00 56.01 53.90 2rjs n LEU 310 Cb 0.39 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 2rjs n LEU 310 CO 0.17 0.57 -0.15 -1.14 -1.33 0.00 0.00 177.39 175.51 2rjs n ARG 311 N -0.30 2.69 -1.00 3.23 0.63 -0.16 -4.82 116.66 116.93 2rjs n ARG 311 Ca 0.04 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.89 2rjs n ARG 311 Cb 0.33 -0.65 0.26 0.00 0.45 0.00 0.00 32.46 32.85 2rjs n ARG 311 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2rjs n ALA 312 N -0.71 4.66 -0.13 5.13 0.00 1.00 -4.63 120.51 125.82 2rjs n ALA 312 Ca 0.00 -2.56 -0.08 0.00 0.00 0.00 0.00 53.44 50.80 2rjs n ALA 312 Cb 0.08 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.34 2rjs n ALA 312 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2rjs h ILE 313 N 2.06 1.11 -0.71 0.00 5.03 -1.85 -2.13 117.51 121.02 2rjs h ILE 313 Ca 0.32 -0.21 -0.01 0.00 -0.12 0.00 0.00 64.86 64.85 2rjs h ILE 313 Cb 2.32 0.51 -0.03 0.00 -3.03 0.00 0.00 36.82 36.58 2rjs h ILE 313 CO 0.74 0.11 0.42 -0.65 -0.68 0.00 0.00 178.15 178.09 2rjs h PRO 314 N 0.56 0.98 -0.03 2.37 0.11 -1.89 0.75 132.00 134.84 2rjs h PRO 314 Ca 0.15 -0.09 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 2rjs h PRO 314 Cb -0.06 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 30.85 2rjs h PRO 314 CO -0.03 0.70 0.01 1.96 -0.21 0.00 0.00 178.00 180.43 2rjs h GLN 315 N 0.98 0.05 0.05 1.05 7.50 -1.85 0.08 115.11 122.97 2rjs h GLN 315 Ca 0.26 -0.01 -0.00 0.00 0.50 0.00 0.00 58.65 59.39 2rjs h GLN 315 Cb -0.02 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.51 2rjs h GLN 315 CO -0.05 0.23 -0.02 0.28 -1.50 0.00 0.00 178.83 177.77 2rjs h VAL 316 N -0.13 1.30 0.00 -0.54 2.07 -1.31 -2.22 116.25 115.41 2rjs h VAL 316 Ca 0.01 -1.48 -0.08 0.00 0.82 0.00 0.00 66.70 65.97 2rjs h VAL 316 Cb 0.20 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 2rjs h VAL 316 CO -0.00 0.35 -0.39 0.58 0.02 0.00 0.00 177.57 178.14 2rjs h VAL 317 N -0.77 1.22 -0.13 2.57 2.07 -0.98 -2.19 116.25 118.05 2rjs h VAL 317 Ca -0.01 -1.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.15 2rjs h VAL 317 Cb 0.63 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 2rjs h VAL 317 CO 0.01 0.38 0.07 1.23 0.02 0.00 0.00 177.57 179.28 2rjs h GLY 318 N 1.27 0.19 0.71 2.17 0.00 -1.02 0.17 103.07 106.56 2rjs h GLY 318 Ca -0.00 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.28 2rjs h GLY 318 CO 0.05 0.08 0.18 0.00 0.00 0.00 0.00 176.54 176.86 2rjs h ALA 319 N 0.97 0.51 -0.23 3.60 0.00 -0.96 0.13 119.26 123.27 2rjs h ALA 319 Ca 0.05 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2rjs h ALA 319 Cb 0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2rjs h ALA 319 CO -0.01 -0.19 0.06 0.28 0.00 0.00 0.00 179.25 179.39 2rjs h VAL 320 N 0.37 0.92 -0.33 0.00 2.07 -1.11 -1.70 116.25 116.47 2rjs h VAL 320 Ca 0.19 -0.06 0.06 0.00 0.82 0.00 0.00 66.70 67.71 2rjs h VAL 320 Cb 0.13 0.74 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 2rjs h VAL 320 CO -0.16 0.03 -0.03 0.03 0.02 0.00 0.00 177.57 177.46 2rjs h ARG 321 N 0.16 0.06 -0.39 1.57 3.08 0.34 -0.69 114.38 118.51 2rjs h ARG 321 Ca 0.10 -0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.23 2rjs h ARG 321 Cb 0.09 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.06 2rjs h ARG 321 CO -0.12 0.04 -0.03 -0.44 -1.07 0.00 0.00 179.97 178.34 2rjs h ASP 322 N 0.06 -0.23 -0.37 7.04 3.32 -0.39 0.31 116.42 126.15 2rjs h ASP 322 Ca 0.16 0.10 0.03 0.00 0.02 0.00 0.00 57.03 57.34 2rjs h ASP 322 Cb 0.23 0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 2rjs h ASP 322 CO -0.29 -0.08 0.19 0.74 -1.72 0.00 0.00 179.24 178.08 2rjs h THR 323 N 0.07 0.99 -0.38 0.35 2.02 -0.86 -1.65 112.91 113.44 2rjs h THR 323 Ca 0.19 -0.14 -0.06 0.00 0.77 0.00 0.00 66.41 67.17 2rjs h THR 323 Cb 0.28 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 2rjs h THR 323 CO -0.35 0.07 -0.03 -0.07 0.37 0.00 0.00 175.52 175.51 2rjs h LEU 324 N 0.40 0.60 -1.13 2.58 3.38 -0.19 -1.53 115.31 119.42 2rjs h LEU 324 Ca 0.16 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 2rjs h LEU 324 Cb 0.05 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2rjs h LEU 324 CO -0.10 0.69 -0.14 1.88 0.09 0.00 0.00 178.44 180.86 2rjs h TYR 325 N 0.59 0.47 -0.15 1.13 0.05 0.08 -1.09 116.97 118.04 2rjs h TYR 325 Ca 0.12 -0.07 -0.07 0.00 0.05 0.00 0.00 58.73 58.75 2rjs h TYR 325 Cb 0.42 -0.13 -0.00 0.00 1.01 0.00 0.00 36.73 38.04 2rjs h TYR 325 CO 0.02 0.57 -0.18 1.25 -1.05 0.00 0.00 178.16 178.77 2rjs h HIS 326 N 0.40 0.48 -0.60 4.88 2.76 -0.76 -2.28 115.15 120.04 2rjs h HIS 326 Ca 0.07 -0.15 -0.08 0.00 -2.20 0.00 0.00 60.37 58.02 2rjs h HIS 326 Cb 0.49 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.33 2rjs h HIS 326 CO 0.01 0.80 0.06 0.00 -1.30 0.00 0.00 177.93 177.51 2rjs h ALA 327 N 0.60 0.97 -0.47 5.26 0.00 -1.14 -1.16 119.26 123.33 2rjs h ALA 327 Ca 0.02 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 2rjs h ALA 327 Cb 0.73 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2rjs h ALA 327 CO 0.04 0.64 -0.07 -0.09 0.00 0.00 0.00 179.25 179.77 2rjs h ARG 328 N 0.93 0.83 0.15 0.00 2.43 -1.21 0.99 114.38 118.51 2rjs h ARG 328 Ca 0.18 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2rjs h ARG 328 Cb 0.45 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2rjs h ARG 328 CO 0.02 0.88 -0.07 1.25 -1.51 0.00 0.00 179.97 180.54 2rjs h HIS 329 N 0.76 -0.19 -0.60 2.20 2.76 -1.04 -0.22 115.15 118.82 2rjs h HIS 329 Ca 0.13 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.35 2rjs h HIS 329 Cb 0.56 0.06 -0.05 0.00 1.55 0.00 0.00 27.41 29.54 2rjs h HIS 329 CO 0.03 0.03 0.32 0.87 -1.30 0.00 0.00 177.93 177.88 2rjs h LYS 330 N -0.38 0.59 -0.74 5.26 1.79 -1.05 -1.68 116.57 120.37 2rjs h LYS 330 Ca -0.02 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 2rjs h LYS 330 Cb 0.30 -0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 30.78 2rjs h LYS 330 CO 0.03 0.39 0.41 -0.07 -1.08 0.00 0.00 179.45 179.13 2rjs h LEU 331 N 0.61 0.91 -0.58 2.94 3.38 -0.60 -0.47 115.31 121.50 2rjs h LEU 331 Ca 0.26 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 2rjs h LEU 331 Cb 0.15 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2rjs h LEU 331 CO -0.17 0.73 0.15 -0.09 0.09 0.00 0.00 178.44 179.14 2rjs h ARG 332 N 1.02 0.92 -0.38 1.13 2.43 -0.15 0.22 114.38 119.58 2rjs h ARG 332 Ca 0.26 -0.22 -0.10 0.00 -0.81 0.00 0.00 59.98 59.11 2rjs h ARG 332 Cb 0.02 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 2rjs h ARG 332 CO -0.04 0.85 -0.15 0.82 -1.51 0.00 0.00 179.97 179.94 2rjs h ILE 333 N 0.83 1.28 -0.58 1.20 2.04 -0.98 -2.87 117.51 118.44 2rjs h ILE 333 Ca 0.18 -1.26 -0.05 0.00 1.00 0.00 0.00 64.86 64.72 2rjs h ILE 333 Cb 0.34 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 2rjs h ILE 333 CO 0.00 0.42 0.15 -0.33 0.00 0.00 0.00 178.15 178.39 2rjs h GLU 334 N 0.57 0.92 -0.91 2.37 4.39 -0.82 -2.65 114.58 118.45 2rjs h GLU 334 Ca 0.09 -0.22 0.10 0.00 0.34 0.00 0.00 59.36 59.67 2rjs h GLU 334 Cb 0.69 -0.12 -0.08 0.00 -0.10 0.00 0.00 28.75 29.14 2rjs h GLU 334 CO 0.05 0.85 0.55 -0.07 -1.16 0.00 0.00 179.01 179.23 2rjs h LEU 335 N 0.83 0.81 -3.99 1.33 3.38 -0.52 -2.03 115.31 115.12 2rjs h LEU 335 Ca 0.18 0.05 -0.64 0.00 0.09 0.00 0.00 57.88 57.56 2rjs h LEU 335 Cb 0.33 -0.11 -0.30 0.00 0.09 0.00 0.00 40.66 40.67 2rjs h LEU 335 CO 0.00 0.45 0.80 0.59 0.09 0.00 0.00 178.44 180.37 2rjs n ASN 336 N -4.67 6.79 -4.56 -0.43 3.02 -1.02 -4.31 115.26 110.07 2rjs n ASN 336 Ca 0.16 -3.75 -0.24 0.00 -0.03 0.00 0.00 54.58 50.72 2rjs n ASN 336 Cb 0.30 -0.94 -0.09 0.00 -0.61 0.00 0.00 39.78 38.44 2rjs n ASN 336 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2rjs s SER 337 N -1.75 3.94 -1.17 6.41 1.04 -0.76 -4.71 113.70 116.70 2rjs s SER 337 Ca 0.63 -0.99 -0.05 0.00 0.48 0.00 0.00 55.95 56.02 2rjs s SER 337 Cb 0.50 -0.47 0.24 0.00 0.10 0.00 0.00 66.02 66.39 2rjs s SER 337 CO 0.02 -0.09 1.84 0.00 0.98 0.00 0.00 173.24 175.98 2rjs n ALA 338 N -0.79 5.74 -2.59 5.32 0.00 -1.26 -4.57 120.51 122.36 2rjs n ALA 338 Ca -0.05 -4.50 -0.42 0.00 0.00 0.00 0.00 53.44 48.47 2rjs n ALA 338 Cb 0.61 -2.56 -0.02 0.00 0.00 0.00 0.00 19.45 17.48 2rjs n ALA 338 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2rjs s ASN 339 N -0.60 6.64 0.22 0.00 4.22 -1.26 -4.78 114.94 119.38 2rjs s ASN 339 Ca 0.39 -1.86 -0.22 0.00 -2.14 0.00 0.00 52.86 49.04 2rjs s ASN 339 Cb 0.12 -2.56 0.06 0.00 1.28 0.00 0.00 41.25 40.14 2rjs s ASN 339 CO -0.01 -1.35 0.91 -0.62 -2.04 0.00 0.00 177.10 173.99 2rjs s ASP 340 N 4.61 -0.12 -0.21 3.54 2.15 -1.25 -4.16 116.67 121.24 2rjs s ASP 340 Ca 0.48 -0.63 -0.27 0.00 0.43 0.00 0.00 52.55 52.56 2rjs s ASP 340 Cb 0.01 0.59 0.10 0.00 -0.30 0.00 0.00 42.92 43.32 2rjs s ASP 340 CO -0.04 -1.13 0.89 0.21 -0.17 0.00 0.00 175.17 174.93 2rjs s ASN 341 N -3.07 -0.54 0.93 -0.34 2.47 -1.26 -4.22 114.94 108.91 2rjs s ASN 341 Ca 0.15 0.87 -0.15 0.00 0.42 0.00 0.00 52.86 54.15 2rjs s ASN 341 Cb -0.03 0.82 0.18 0.00 -1.45 0.00 0.00 41.25 40.77 2rjs s ASN 341 CO 0.05 -0.30 1.29 -2.16 -3.72 0.00 0.00 177.10 172.26 2rjs s PRO 342 N -0.30 0.92 0.13 0.43 0.04 -1.26 -4.77 135.00 130.19 2rjs s PRO 342 Ca -0.01 -0.33 0.10 0.00 0.04 0.00 0.00 61.00 60.79 2rjs s PRO 342 Cb -0.03 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 2rjs s PRO 342 CO 0.00 -2.23 -0.24 -0.51 0.04 0.00 0.00 177.00 174.06 2rjs s LEU 343 N -5.81 2.33 -0.18 -3.56 1.43 0.08 -4.89 118.68 108.07 2rjs s LEU 343 Ca 0.71 -0.74 -0.06 0.00 -1.03 0.00 0.00 54.13 53.01 2rjs s LEU 343 Cb -0.05 -1.07 -0.04 0.00 0.03 0.00 0.00 46.19 45.07 2rjs s LEU 343 CO 0.52 0.12 0.04 0.12 0.23 0.00 0.00 176.35 177.38 2rjs s PHE 344 N -1.20 3.17 -0.22 0.29 5.36 -0.90 -0.44 117.98 124.05 2rjs s PHE 344 Ca 0.12 -0.08 -0.02 0.00 -0.96 0.00 0.00 56.93 55.99 2rjs s PHE 344 Cb -0.10 -2.07 0.07 0.00 -0.34 0.00 0.00 43.02 40.58 2rjs s PHE 344 CO 0.06 0.04 0.04 -0.06 -1.46 0.00 0.00 175.22 173.84 2rjs s PHE 345 N 0.53 1.22 0.09 10.12 0.08 -1.26 -4.57 117.98 124.18 2rjs s PHE 345 Ca 0.02 -1.05 -0.35 0.00 0.12 0.00 0.00 56.93 55.66 2rjs s PHE 345 Cb -0.13 -1.16 -0.18 0.00 -0.57 0.00 0.00 43.02 40.97 2rjs s PHE 345 CO 0.01 -0.67 0.91 -1.91 -0.10 0.00 0.00 175.22 173.47 2rjs n GLU 346 N 4.99 0.18 -1.54 0.44 2.13 -1.26 -1.36 120.64 124.23 2rjs n GLU 346 Ca -0.08 0.07 -0.08 0.00 0.66 0.00 0.00 57.16 57.73 2rjs n GLU 346 Cb 0.46 -1.41 -0.02 0.00 0.27 0.00 0.00 31.44 30.74 2rjs n GLU 346 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2rjs n GLY 347 N 1.75 0.67 3.23 8.31 0.00 -1.26 -5.01 105.19 112.88 2rjs n GLY 347 Ca 0.19 -0.65 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 2rjs n GLY 347 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rjs s LYS 348 N -3.24 0.92 0.70 1.61 1.02 -0.46 -5.15 119.74 115.14 2rjs s LYS 348 Ca 0.00 -1.11 -0.14 0.00 0.02 0.00 0.00 55.97 54.74 2rjs s LYS 348 Cb 0.00 0.33 0.02 0.00 -0.52 0.00 0.00 37.83 37.66 2rjs s LYS 348 CO 0.00 -0.30 1.12 -2.00 -0.92 0.00 0.00 175.35 173.26 2rjs s GLU 349 N -3.92 2.50 0.15 1.68 2.56 -1.26 -4.69 118.70 115.71 2rjs s GLU 349 Ca 0.11 1.41 -0.31 0.00 0.00 0.00 0.00 54.97 56.18 2rjs s GLU 349 Cb 0.05 -1.91 -0.10 0.00 2.00 0.00 0.00 34.13 34.17 2rjs s GLU 349 CO -0.06 -1.49 1.64 0.42 -0.56 0.00 0.00 175.26 175.21 2rjs s ILE 350 N -2.41 2.58 -0.16 -3.70 -1.09 -1.26 -4.67 121.20 110.49 2rjs s ILE 350 Ca 0.67 0.33 -0.29 0.00 -2.23 0.00 0.00 60.65 59.13 2rjs s ILE 350 Cb -0.21 -3.21 -0.02 0.00 -1.58 0.00 0.00 42.46 37.44 2rjs s ILE 350 CO 0.46 0.02 1.26 0.12 -1.23 0.00 0.00 174.94 175.57 2rjs s PHE 351 N 1.60 2.85 -0.48 3.97 5.36 0.41 -4.87 117.98 126.81 2rjs s PHE 351 Ca 0.73 1.00 -0.02 0.00 -0.96 0.00 0.00 56.93 57.68 2rjs s PHE 351 Cb -0.44 -3.51 0.13 0.00 -0.34 0.00 0.00 43.02 38.86 2rjs s PHE 351 CO 0.32 -1.71 0.28 -1.01 -1.46 0.00 0.00 175.22 171.63 2rjs s HIS 352 N 3.45 3.51 0.00 10.12 3.76 -1.26 -0.74 115.29 134.13 2rjs s HIS 352 Ca 0.55 -2.61 0.00 0.00 -0.15 0.00 0.00 55.06 52.85 2rjs s HIS 352 Cb -0.22 -3.17 0.00 0.00 1.11 0.00 0.00 32.58 30.30 2rjs s HIS 352 CO 0.15 -0.91 0.00 0.41 -0.85 0.00 0.00 174.74 173.54 2rjs n GLY 353 N 4.10 5.08 2.65 -2.22 0.00 -1.26 -5.09 105.19 108.46 2rjs n GLY 353 Ca 0.02 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 45.01 2rjs n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rjs n ALA 354 N -3.00 2.20 1.83 4.61 0.00 -1.26 -4.92 120.51 119.96 2rjs n ALA 354 Ca 0.00 -2.28 0.08 0.00 0.00 0.00 0.00 53.44 51.23 2rjs n ALA 354 Cb 0.00 -0.98 0.45 0.00 0.00 0.00 0.00 19.45 18.93 2rjs n ALA 354 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2rjs n ASN 355 N -0.25 0.00 0.03 0.00 3.02 -1.26 -2.61 115.26 114.20 2rjs n ASN 355 Ca 0.05 -1.35 0.12 0.00 -0.03 0.00 0.00 54.58 53.37 2rjs n ASN 355 Cb 0.82 0.00 0.27 0.00 -0.61 0.00 0.00 39.78 40.26 2rjs n ASN 355 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 2rjs n PHE 356 N -0.76 0.25 -2.21 3.10 1.16 -1.26 -3.97 117.46 113.76 2rjs n PHE 356 Ca 0.11 0.07 -0.43 0.00 -1.87 0.00 0.00 57.45 55.34 2rjs n PHE 356 Cb 0.05 -0.47 -0.02 0.00 -1.61 0.00 0.00 39.48 37.43 2rjs n PHE 356 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 2rjs s HIS 357 N -3.07 2.32 -0.48 2.97 2.46 -1.07 -4.28 115.29 114.13 2rjs s HIS 357 Ca 0.09 0.64 0.03 0.00 0.47 0.00 0.00 55.06 56.29 2rjs s HIS 357 Cb 0.16 -3.90 0.22 0.00 -0.13 0.00 0.00 32.58 28.92 2rjs s HIS 357 CO 0.68 -2.59 1.05 0.41 -2.47 0.00 0.00 174.74 171.82 2rjs n GLY 358 N 4.40 2.29 0.28 1.59 0.00 -0.65 -4.54 105.19 108.57 2rjs n GLY 358 Ca 0.17 -0.29 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 2rjs n GLY 358 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2rjs h GLN 359 N 0.76 -0.25 -0.88 1.61 5.75 -1.92 0.65 115.11 120.85 2rjs h GLN 359 Ca 0.08 0.02 0.17 0.00 -0.15 0.00 0.00 58.65 58.78 2rjs h GLN 359 Cb 1.21 0.06 -0.07 0.00 1.07 0.00 0.00 27.48 29.75 2rjs h GLN 359 CO 0.22 -0.17 0.57 -1.00 -2.65 0.00 0.00 178.83 175.81 2rjs h PRO 360 N -0.26 0.50 0.12 -2.39 0.13 -2.00 0.12 132.00 128.22 2rjs h PRO 360 Ca 0.13 -0.03 -0.33 0.00 -0.87 0.00 0.00 66.00 64.91 2rjs h PRO 360 Cb 0.47 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.47 2rjs h PRO 360 CO -0.39 0.33 -1.71 0.82 -0.23 0.00 0.00 178.00 176.82 2rjs h ILE 361 N 0.51 0.95 -0.62 -3.56 1.08 -1.75 -2.92 117.51 111.20 2rjs h ILE 361 Ca 0.45 -2.61 0.11 0.00 -0.39 0.00 0.00 64.86 62.41 2rjs h ILE 361 Cb 0.96 2.67 -0.08 0.00 -3.07 0.00 0.00 36.82 37.30 2rjs h ILE 361 CO -0.19 0.81 0.19 0.00 -0.69 0.00 0.00 178.15 178.28 2rjs h ALA 362 N 0.36 0.78 0.04 1.87 0.00 0.13 0.63 119.26 123.07 2rjs h ALA 362 Ca -0.31 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2rjs h ALA 362 Cb 2.04 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.94 2rjs h ALA 362 CO 0.14 -0.24 -0.02 0.74 0.00 0.00 0.00 179.25 179.87 2rjs h PHE 363 N 0.35 -0.05 -0.63 0.00 0.04 -0.91 -2.63 116.94 113.10 2rjs h PHE 363 Ca 0.32 -0.00 0.13 0.00 2.80 0.00 0.00 57.97 61.21 2rjs h PHE 363 Cb 0.44 0.02 -0.09 0.00 2.20 0.00 0.00 35.95 38.51 2rjs h PHE 363 CO -0.20 0.25 0.12 0.00 -0.60 0.00 0.00 178.31 177.89 2rjs h ALA 364 N 0.57 0.75 -0.15 2.45 0.00 -1.15 -1.56 119.26 120.18 2rjs h ALA 364 Ca -0.01 0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 2rjs h ALA 364 Cb 0.33 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2rjs h ALA 364 CO 0.01 -0.32 -0.47 0.52 0.00 0.00 0.00 179.25 178.98 2rjs h MET 365 N 0.24 0.38 -0.09 0.00 2.86 -0.91 -1.96 114.93 115.46 2rjs h MET 365 Ca 0.34 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.73 2rjs h MET 365 Cb 0.53 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 2rjs h MET 365 CO -0.44 0.78 -0.11 -0.44 1.06 0.00 0.00 176.91 177.76 2rjs h ASP 366 N 0.31 0.12 -0.05 1.22 5.19 -0.93 -1.69 116.42 120.59 2rjs h ASP 366 Ca 0.02 -0.02 -0.23 0.00 -0.62 0.00 0.00 57.03 56.18 2rjs h ASP 366 Cb 0.95 -0.03 0.01 0.00 0.18 0.00 0.00 39.33 40.44 2rjs h ASP 366 CO 0.08 0.25 -0.82 -0.26 -3.12 0.00 0.00 179.24 175.37 2rjs h PHE 367 N 0.13 0.99 -0.82 4.55 0.04 -0.90 -2.88 116.94 118.05 2rjs h PHE 367 Ca 0.03 -0.45 -0.04 0.00 2.80 0.00 0.00 57.97 60.30 2rjs h PHE 367 Cb 0.28 -0.14 -0.04 0.00 2.20 0.00 0.00 35.95 38.24 2rjs h PHE 367 CO 0.00 1.28 0.35 0.28 -0.60 0.00 0.00 178.31 179.62 2rjs h VAL 368 N 0.48 1.26 -0.53 -0.55 2.07 -0.92 0.86 116.25 118.92 2rjs h VAL 368 Ca -0.06 -0.80 0.03 0.00 0.82 0.00 0.00 66.70 66.69 2rjs h VAL 368 Cb 1.45 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 2rjs h VAL 368 CO 0.16 0.33 0.31 0.74 0.02 0.00 0.00 177.57 179.14 2rjs h THR 369 N 1.18 1.04 0.21 2.57 2.02 -1.28 0.38 112.91 119.04 2rjs h THR 369 Ca 0.28 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 2rjs h THR 369 Cb 0.19 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 2rjs h THR 369 CO -0.03 0.11 -0.10 0.40 0.37 0.00 0.00 175.52 176.27 2rjs h ILE 370 N 0.62 0.87 -0.18 3.11 2.04 -1.24 -1.47 117.51 121.26 2rjs h ILE 370 Ca 0.21 -0.57 0.05 0.00 1.00 0.00 0.00 64.86 65.55 2rjs h ILE 370 Cb 0.03 1.20 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 2rjs h ILE 370 CO -0.10 0.13 -0.18 0.00 0.00 0.00 0.00 178.15 177.99 2rjs h ALA 371 N 0.13 -0.08 -0.15 1.87 0.00 -0.59 -1.21 119.26 119.23 2rjs h ALA 371 Ca -0.03 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2rjs h ALA 371 Cb 0.42 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2rjs h ALA 371 CO 0.05 -0.62 -0.10 -0.07 0.00 0.00 0.00 179.25 178.51 2rjs h LEU 372 N -0.21 0.22 -0.53 0.00 3.38 -0.26 -1.96 115.31 115.95 2rjs h LEU 372 Ca 0.11 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.06 2rjs h LEU 372 Cb 0.38 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2rjs h LEU 372 CO -0.30 0.35 0.34 0.74 0.09 0.00 0.00 178.44 179.66 2rjs h THR 373 N 0.23 1.11 -0.35 0.22 2.02 -0.13 -1.01 112.91 115.00 2rjs h THR 373 Ca 0.05 -0.24 -0.11 0.00 0.77 0.00 0.00 66.41 66.89 2rjs h THR 373 Cb 0.32 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 2rjs h THR 373 CO 0.02 0.13 -0.22 -0.61 0.37 0.00 0.00 175.52 175.20 2rjs h GLN 374 N 0.69 0.67 -1.00 6.66 5.75 -0.77 -1.60 115.11 125.50 2rjs h GLN 374 Ca 0.20 -0.26 0.07 0.00 -0.15 0.00 0.00 58.65 58.51 2rjs h GLN 374 Cb -0.05 -0.04 -0.07 0.00 1.07 0.00 0.00 27.48 28.40 2rjs h GLN 374 CO -0.06 0.84 0.65 1.25 -2.65 0.00 0.00 178.83 178.86 2rjs h LEU 375 N 0.59 1.03 -0.76 -2.39 5.85 -0.77 -0.86 115.31 118.00 2rjs h LEU 375 Ca 0.09 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.70 2rjs h LEU 375 Cb 0.70 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 2rjs h LEU 375 CO 0.05 0.66 -0.31 1.23 -0.34 0.00 0.00 178.44 179.73 2rjs h GLY 376 N 1.17 0.64 0.96 3.75 0.00 -0.60 -2.46 103.07 106.53 2rjs h GLY 376 Ca 0.43 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 2rjs h GLY 376 CO -0.18 0.52 0.18 -2.08 0.00 0.00 0.00 176.54 174.99 2rjs h VAL 377 N 0.50 1.15 -0.16 4.60 2.07 -0.25 -1.15 116.25 123.01 2rjs h VAL 377 Ca 0.06 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.20 2rjs h VAL 377 Cb 0.78 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 2rjs h VAL 377 CO 0.06 0.15 0.06 0.25 0.02 0.00 0.00 177.57 178.11 2rjs h LEU 378 N 0.42 0.07 -0.22 2.57 5.85 -1.19 -1.83 115.31 120.99 2rjs h LEU 378 Ca 0.12 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.88 2rjs h LEU 378 Cb 0.08 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2rjs h LEU 378 CO -0.02 0.07 0.07 0.00 -0.34 0.00 0.00 178.44 178.22 2rjs h ALA 379 N 1.10 0.24 -0.49 1.25 0.00 -1.29 -1.99 119.26 118.08 2rjs h ALA 379 Ca 0.07 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.10 2rjs h ALA 379 Cb 0.04 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.75 2rjs h ALA 379 CO -0.07 -0.35 -0.07 1.49 0.00 0.00 0.00 179.25 180.25 2rjs h GLU 380 N 0.17 0.05 0.00 0.00 4.57 -0.93 -1.48 114.58 116.95 2rjs h GLU 380 Ca 0.10 -0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.21 2rjs h GLU 380 Cb 0.07 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 2rjs h GLU 380 CO -0.10 0.03 -0.31 0.00 -1.18 0.00 0.00 179.01 177.45 2rjs h ARG 381 N 0.05 0.00 -0.05 1.92 2.47 -1.01 -2.25 114.38 115.51 2rjs h ARG 381 Ca 0.24 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.81 2rjs h ARG 381 Cb 0.37 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.68 2rjs h ARG 381 CO -0.47 0.31 -0.65 1.96 0.56 0.00 0.00 179.97 181.68 2rjs h GLN 382 N 0.00 0.22 -0.38 0.04 4.20 -0.55 0.83 115.11 119.47 2rjs h GLN 382 Ca -0.00 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.51 2rjs h GLN 382 Cb 0.66 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 2rjs h GLN 382 CO 0.04 0.79 0.10 0.82 -0.67 0.00 0.00 178.83 179.91 2rjs h ILE 383 N 0.16 1.22 -0.90 2.54 2.04 -0.99 -2.17 117.51 119.41 2rjs h ILE 383 Ca -0.01 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 2rjs h ILE 383 Cb 1.18 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 38.20 2rjs h ILE 383 CO 0.10 0.26 0.52 -1.13 0.00 0.00 0.00 178.15 177.90 2rjs h ASN 384 N 0.47 1.09 0.09 1.72 -1.24 -1.17 -2.05 115.58 114.51 2rjs h ASN 384 Ca 0.12 -0.08 0.02 0.00 0.71 0.00 0.00 56.30 57.07 2rjs h ASN 384 Cb 0.29 -0.28 -0.03 0.00 0.73 0.00 0.00 38.32 39.04 2rjs h ASN 384 CO -0.00 0.86 -0.19 -0.09 -1.29 0.00 0.00 177.43 176.72 2rjs h ARG 385 N 1.24 -0.34 -0.14 6.67 9.65 -0.36 -1.73 114.38 129.37 2rjs h ARG 385 Ca 0.32 0.02 -0.13 0.00 -1.10 0.00 0.00 59.98 59.09 2rjs h ARG 385 Cb -0.02 0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.63 2rjs h ARG 385 CO -0.06 -0.23 -0.49 -0.39 2.80 0.00 0.00 179.97 181.61 2rjs h VAL 386 N -0.35 1.33 0.00 0.20 -1.51 -1.18 -2.69 116.25 112.05 2rjs h VAL 386 Ca 0.03 -1.71 0.00 0.00 -1.23 0.00 0.00 66.70 63.79 2rjs h VAL 386 Cb 0.38 1.76 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 2rjs h VAL 386 CO -0.11 0.52 0.00 -0.07 -1.23 0.00 0.00 177.57 176.68 2rjs h LEU 387 N 0.29 0.00 -8.62 4.19 3.38 -1.21 -3.42 115.31 109.92 2rjs h LEU 387 Ca 0.01 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.32 2rjs h LEU 387 Cb 0.97 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.55 2rjs h LEU 387 CO 0.08 0.00 -0.04 0.21 0.09 0.00 0.00 178.44 178.78 2rjs s ASN 388 N -5.29 6.27 0.57 -0.43 3.84 -0.66 -1.42 114.94 117.82 2rjs s ASN 388 Ca 0.05 -0.38 0.27 0.00 0.21 0.00 0.00 52.86 53.02 2rjs s ASN 388 Cb 0.09 -2.27 1.56 0.00 -0.55 0.00 0.00 41.25 40.07 2rjs s ASN 388 CO 0.56 -0.63 2.05 0.08 -2.79 0.00 0.00 177.10 176.37 2rjs h ARG 389 N 8.72 0.00 0.00 0.43 0.11 -1.83 0.87 114.38 122.67 2rjs h ARG 389 Ca -0.26 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.82 2rjs h ARG 389 Cb 1.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.19 2rjs h ARG 389 CO 0.83 0.00 0.00 0.45 0.10 0.00 0.00 179.97 181.35 2rjs h HIS 390 N 0.00 0.00 0.00 4.08 3.86 -1.92 -3.35 115.15 117.82 2rjs h HIS 390 Ca 0.13 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 2rjs h HIS 390 Cb 0.66 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.13 2rjs h HIS 390 CO 0.00 0.00 -0.89 1.28 0.86 0.00 0.00 177.93 179.18 2rjs n LEU 391 N -2.34 0.00 0.00 2.43 4.77 0.81 -4.78 117.00 117.89 2rjs n LEU 391 Ca 0.04 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.05 2rjs n LEU 391 Cb 0.38 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.60 2rjs n LEU 391 CO 0.28 0.00 0.56 -1.54 -1.33 0.00 0.00 177.39 175.36 2rjs n SER 392 N -1.38 0.00 -2.12 -1.43 3.41 0.27 -4.86 113.62 107.50 2rjs n SER 392 Ca 0.00 0.38 -0.12 0.00 -0.26 0.00 0.00 58.87 58.87 2rjs n SER 392 Cb 0.04 -0.41 0.04 0.00 -0.26 0.00 0.00 64.21 63.62 2rjs n SER 392 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2rjs n TYR 393 N -1.41 -1.41 0.00 7.33 4.01 -1.26 -4.09 117.16 120.32 2rjs n TYR 393 Ca 0.02 0.51 0.00 0.00 -0.16 0.00 0.00 57.90 58.27 2rjs n TYR 393 Cb 0.06 -3.18 0.00 0.00 -0.31 0.00 0.00 39.34 35.91 2rjs n TYR 393 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2rjs n GLY 394 N -1.23 0.68 3.89 2.72 0.00 -1.26 -5.05 105.19 104.94 2rjs n GLY 394 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 2rjs n GLY 394 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rjs s LEU 395 N 0.00 3.69 0.66 0.99 1.43 -1.26 -5.05 118.68 119.14 2rjs s LEU 395 Ca 0.00 1.02 -0.15 0.00 -1.03 0.00 0.00 54.13 53.97 2rjs s LEU 395 Cb 0.00 -3.95 0.00 0.00 0.03 0.00 0.00 46.19 42.27 2rjs s LEU 395 CO 0.00 -0.52 1.11 -2.16 0.23 0.00 0.00 176.35 175.01 2rjs s PRO 396 N -4.43 2.77 0.16 1.29 0.04 -1.26 -4.69 135.00 128.88 2rjs s PRO 396 Ca 0.49 1.39 -0.34 0.00 0.04 0.00 0.00 61.00 62.59 2rjs s PRO 396 Cb -0.10 -1.95 -0.14 0.00 0.04 0.00 0.00 34.50 32.35 2rjs s PRO 396 CO 0.40 -1.27 1.57 -0.85 0.04 0.00 0.00 177.00 176.89 2rjs n GLU 397 N -2.45 2.11 -2.53 4.56 0.00 -1.26 -2.10 120.64 118.98 2rjs n GLU 397 Ca 0.10 0.76 -0.09 0.00 0.00 0.00 0.00 57.16 57.93 2rjs n GLU 397 Cb 0.52 -2.53 -0.00 0.00 0.00 0.00 0.00 31.44 29.43 2rjs n GLU 397 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2rjs n PHE 398 N 3.39 -1.62 -3.53 -1.84 3.01 -0.51 -1.80 117.46 114.56 2rjs n PHE 398 Ca 0.17 0.03 -0.26 0.00 1.01 0.00 0.00 57.45 58.40 2rjs n PHE 398 Cb 0.28 -2.21 0.03 0.00 -0.01 0.00 0.00 39.48 37.57 2rjs n PHE 398 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2rjs n LEU 399 N -2.77 -2.54 -4.68 4.37 4.77 -0.89 -1.51 117.00 113.75 2rjs n LEU 399 Ca -0.09 -0.54 -0.42 0.00 -0.03 0.00 0.00 56.01 54.93 2rjs n LEU 399 Cb 0.57 -2.66 -0.03 0.00 -2.33 0.00 0.00 43.42 38.97 2rjs n LEU 399 CO 0.14 0.38 0.76 -0.69 -1.33 0.00 0.00 177.39 176.66 2rjs s VAL 400 N -3.20 4.79 0.01 4.08 1.01 -0.74 -4.64 120.40 121.70 2rjs s VAL 400 Ca 0.51 1.91 -0.05 0.00 0.00 0.00 0.00 61.98 64.35 2rjs s VAL 400 Cb -0.25 -4.26 -0.29 0.00 0.00 0.00 0.00 36.38 31.59 2rjs s VAL 400 CO 0.63 -0.03 0.88 0.77 0.00 0.00 0.00 175.10 177.35 2rjs h SER 401 N 7.26 0.46 0.00 3.32 4.64 -1.81 -3.45 113.55 123.96 2rjs h SER 401 Ca -0.28 -0.61 0.00 0.00 -0.47 0.00 0.00 61.79 60.44 2rjs h SER 401 Cb 1.12 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 2rjs h SER 401 CO 0.88 1.50 0.00 0.61 -0.87 0.00 0.00 176.83 178.95 2rjs n GLY 402 N 1.68 0.76 3.59 -0.77 0.00 -1.26 -5.00 105.19 104.18 2rjs n GLY 402 Ca -0.16 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 2rjs n GLY 402 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2rjs s ASP 403 N -1.00 6.27 1.16 1.61 1.01 -1.26 -5.06 116.67 119.40 2rjs s ASP 403 Ca 0.00 0.17 -0.14 0.00 0.71 0.00 0.00 52.55 53.29 2rjs s ASP 403 Cb 0.00 -2.23 0.28 0.00 1.01 0.00 0.00 42.92 41.98 2rjs s ASP 403 CO 0.00 -0.28 1.03 -2.16 0.21 0.00 0.00 175.17 173.98 2rjs s PRO 404 N 2.15 -0.88 0.00 8.23 0.04 -1.26 -1.45 135.00 141.82 2rjs s PRO 404 Ca 0.16 0.65 0.00 0.00 0.04 0.00 0.00 61.00 61.85 2rjs s PRO 404 Cb -0.16 -1.57 0.00 0.00 0.04 0.00 0.00 34.50 32.81 2rjs s PRO 404 CO 0.11 -3.65 0.00 0.41 0.04 0.00 0.00 177.00 173.91 2rjs n GLY 405 N 0.36 1.29 0.31 0.56 0.00 -1.26 -4.06 105.19 102.40 2rjs n GLY 405 Ca 0.04 -0.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 2rjs n GLY 405 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2rjs h LEU 406 N 0.00 1.05 -8.65 0.99 5.85 -2.00 -3.41 115.31 109.14 2rjs h LEU 406 Ca 0.00 -0.26 -0.69 0.00 0.84 0.00 0.00 57.88 57.76 2rjs h LEU 406 Cb 0.00 -0.28 -0.29 0.00 0.37 0.00 0.00 40.66 40.46 2rjs h LEU 406 CO 0.00 1.05 -0.86 -1.00 -0.34 0.00 0.00 178.44 177.29 2rjs s HIS 407 N -5.21 2.45 -0.35 1.25 3.76 -0.53 -5.03 115.29 111.64 2rjs s HIS 407 Ca -0.12 -0.44 0.22 0.00 -0.15 0.00 0.00 55.06 54.57 2rjs s HIS 407 Cb 0.14 -1.56 -0.08 0.00 1.11 0.00 0.00 32.58 32.19 2rjs s HIS 407 CO 0.85 -0.03 0.87 0.43 -0.85 0.00 0.00 174.74 176.01 2rjs n SER 408 N 2.55 0.52 0.00 1.40 7.64 -1.26 -4.31 113.62 120.15 2rjs n SER 408 Ca -0.17 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.69 2rjs n SER 408 Cb 0.51 1.04 0.00 0.00 -1.01 0.00 0.00 64.21 64.76 2rjs n SER 408 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rjs n GLY 409 N 1.29 3.76 0.68 0.23 0.00 -1.26 -1.97 105.19 107.92 2rjs n GLY 409 Ca -0.00 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.11 2rjs n GLY 409 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2rjs n PHE 410 N 13.48 0.23 -0.29 1.61 3.72 -0.57 -4.52 117.46 131.13 2rjs n PHE 410 Ca 0.00 -0.11 0.03 0.00 -0.05 0.00 0.00 57.45 57.32 2rjs n PHE 410 Cb 0.00 0.00 0.11 0.00 -0.94 0.00 0.00 39.48 38.65 2rjs n PHE 410 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2rjs h ALA 411 N 4.21 0.58 0.00 4.37 0.00 -1.57 -0.12 119.26 126.73 2rjs h ALA 411 Ca 0.00 0.31 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 2rjs h ALA 411 Cb 0.61 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2rjs h ALA 411 CO 0.00 -0.41 -0.18 0.78 0.00 0.00 0.00 179.25 179.44 2rjs h GLY 412 N 0.01 0.00 2.00 0.00 0.00 -1.84 -3.22 103.07 100.02 2rjs h GLY 412 Ca 0.40 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.65 2rjs h GLY 412 CO -0.83 0.00 -0.38 0.00 0.00 0.00 0.00 176.54 175.33 2rjs h ALA 413 N 1.82 1.25 -0.15 3.60 0.00 -1.32 -3.05 119.26 121.42 2rjs h ALA 413 Ca -0.00 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 2rjs h ALA 413 Cb 1.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2rjs h ALA 413 CO 0.02 0.48 -0.25 0.37 0.00 0.00 0.00 179.25 179.87 2rjs h GLN 414 N 0.00 0.26 -0.16 0.00 4.15 -1.51 -3.32 115.11 114.52 2rjs h GLN 414 Ca -0.00 -0.08 0.01 0.00 0.77 0.00 0.00 58.65 59.34 2rjs h GLN 414 Cb 0.73 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.38 2rjs h GLN 414 CO 0.05 0.50 0.07 1.88 -1.93 0.00 0.00 178.83 179.40 2rjs h TYR 415 N 0.24 0.14 -0.14 3.99 0.05 -1.71 -1.07 116.97 118.47 2rjs h TYR 415 Ca 0.04 0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.87 2rjs h TYR 415 Cb 0.57 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.27 2rjs h TYR 415 CO 0.01 0.08 0.11 -1.00 -1.05 0.00 0.00 178.16 176.30 2rjs h PRO 416 N 0.16 0.00 0.01 4.88 0.13 -1.75 0.31 132.00 135.74 2rjs h PRO 416 Ca 0.07 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.03 2rjs h PRO 416 Cb 0.02 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.16 2rjs h PRO 416 CO -0.05 0.00 -0.65 0.00 -0.23 0.00 0.00 178.00 177.07 2rjs h ALA 417 N 1.92 0.07 -0.53 -0.56 0.00 -1.59 -2.27 119.26 116.30 2rjs h ALA 417 Ca 0.07 -0.59 -0.10 0.00 0.00 0.00 0.00 54.91 54.29 2rjs h ALA 417 Cb 0.28 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2rjs h ALA 417 CO -0.00 0.38 -0.06 1.15 0.00 0.00 0.00 179.25 180.72 2rjs h THR 418 N -0.07 1.26 -0.10 0.00 2.02 -0.57 -2.54 112.91 112.91 2rjs h THR 418 Ca -0.08 -1.18 -0.06 0.00 0.77 0.00 0.00 66.41 65.86 2rjs h THR 418 Cb 1.36 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 2rjs h THR 418 CO 0.13 0.42 -0.20 0.00 0.37 0.00 0.00 175.52 176.23 2rjs h ALA 419 N 1.05 1.49 -0.01 6.16 0.00 -0.44 -2.46 119.26 125.05 2rjs h ALA 419 Ca 0.15 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 2rjs h ALA 419 Cb 0.59 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2rjs h ALA 419 CO 0.04 0.37 -0.73 -0.07 0.00 0.00 0.00 179.25 178.86 2rjs h LEU 420 N 0.15 0.05 -0.89 0.00 3.38 -1.02 -2.32 115.31 114.67 2rjs h LEU 420 Ca 0.03 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2rjs h LEU 420 Cb 0.45 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2rjs h LEU 420 CO 0.03 0.76 0.06 0.58 0.09 0.00 0.00 178.44 179.96 2rjs h VAL 421 N 0.03 1.24 -0.41 1.22 2.07 -1.05 -1.33 116.25 118.02 2rjs h VAL 421 Ca -0.01 -0.97 -0.12 0.00 0.82 0.00 0.00 66.70 66.42 2rjs h VAL 421 Cb 1.28 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 2rjs h VAL 421 CO 0.10 0.35 -0.24 0.00 0.02 0.00 0.00 177.57 177.80 2rjs h ALA 422 N 1.23 0.80 -0.36 1.67 0.00 -1.34 -2.79 119.26 118.47 2rjs h ALA 422 Ca 0.17 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 2rjs h ALA 422 Cb 0.41 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2rjs h ALA 422 CO 0.01 0.65 -0.10 1.49 0.00 0.00 0.00 179.25 181.30 2rjs h GLU 423 N 0.73 0.70 -0.10 0.00 4.81 -1.04 -2.77 114.58 116.90 2rjs h GLU 423 Ca 0.09 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 59.03 2rjs h GLU 423 Cb 0.78 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 2rjs h GLU 423 CO 0.06 0.87 -0.01 -0.91 -0.73 0.00 0.00 179.01 178.29 2rjs h ASN 424 N 0.49 0.12 0.76 1.04 2.35 -1.22 -1.58 115.58 117.55 2rjs h ASN 424 Ca 0.09 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2rjs h ASN 424 Cb 0.62 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.96 2rjs h ASN 424 CO 0.04 0.16 0.00 0.54 -1.65 0.00 0.00 177.43 176.52 2rjs n ARG 425 N -4.44 0.03 -0.01 0.81 1.74 -1.05 -2.81 116.66 110.93 2rjs n ARG 425 Ca -0.01 0.10 0.13 0.00 -0.77 0.00 0.00 57.85 57.30 2rjs n ARG 425 Cb 0.15 -1.50 0.38 0.00 -1.02 0.00 0.00 32.46 30.46 2rjs n ARG 425 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2rjs n THR 426 N -1.48 0.04 -3.29 0.55 -2.24 -0.59 -4.81 114.28 102.45 2rjs n THR 426 Ca 0.06 -0.35 -0.41 0.00 -2.27 0.00 0.00 64.05 61.08 2rjs n THR 426 Cb 0.26 0.80 -0.08 0.00 -2.10 0.00 0.00 70.33 69.21 2rjs n THR 426 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2rjs s ILE 427 N -1.96 5.06 0.34 2.28 1.01 -1.12 -5.07 121.20 121.73 2rjs s ILE 427 Ca 0.35 0.15 0.03 0.00 0.00 0.00 0.00 60.65 61.17 2rjs s ILE 427 Cb 0.20 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.70 2rjs s ILE 427 CO 0.32 -0.23 0.51 -0.83 0.00 0.00 0.00 174.94 174.71 2rjs s GLY 428 N 1.77 1.39 0.52 6.18 0.00 -1.26 -5.02 107.32 110.90 2rjs s GLY 428 Ca 0.16 -1.11 -0.22 0.00 0.00 0.00 0.00 44.72 43.55 2rjs s GLY 428 CO 0.13 -1.04 1.22 -1.05 0.00 0.00 0.00 173.10 172.35 2rjs n PRO 429 N -1.72 1.53 -0.04 2.90 -0.02 -1.26 -4.93 135.00 131.45 2rjs n PRO 429 Ca -0.04 0.56 -0.03 0.00 -2.02 0.00 0.00 63.50 61.97 2rjs n PRO 429 Cb 0.57 -2.39 -0.08 0.00 -0.02 0.00 0.00 33.50 31.58 2rjs n PRO 429 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2rjs n ALA 430 N -0.97 1.87 0.06 3.55 0.00 -1.26 -4.60 120.51 119.16 2rjs n ALA 430 Ca 0.10 -0.61 0.04 0.00 0.00 0.00 0.00 53.44 52.97 2rjs n ALA 430 Cb 0.44 -0.05 0.20 0.00 0.00 0.00 0.00 19.45 20.04 2rjs n ALA 430 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2rjs n SER 431 N -2.29 0.19 -0.70 0.00 3.41 -1.25 -1.13 113.62 111.85 2rjs n SER 431 Ca -0.14 0.57 0.07 0.00 -0.26 0.00 0.00 58.87 59.11 2rjs n SER 431 Cb 0.74 -0.59 0.13 0.00 -0.26 0.00 0.00 64.21 64.22 2rjs n SER 431 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2rjs n THR 432 N -1.75 0.46 -0.64 6.66 -2.24 -1.26 -4.66 114.28 110.84 2rjs n THR 432 Ca -0.00 -0.73 -0.18 0.00 -2.27 0.00 0.00 64.05 60.87 2rjs n THR 432 Cb 0.04 0.93 0.13 0.00 -2.10 0.00 0.00 70.33 69.33 2rjs n THR 432 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2rjs n GLN 433 N 0.82 1.92 -1.64 -0.78 1.13 -0.28 -5.00 117.38 113.55 2rjs n GLN 433 Ca 0.12 -2.19 -0.47 0.00 -1.94 0.00 0.00 57.00 52.51 2rjs n GLN 433 Cb 0.42 -1.86 -0.04 0.00 0.11 0.00 0.00 30.24 28.87 2rjs n GLN 433 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2rjs n SER 434 N -0.67 2.40 -3.98 1.08 2.88 -1.26 -4.99 113.62 109.09 2rjs n SER 434 Ca 0.44 1.12 -0.30 0.00 -1.33 0.00 0.00 58.87 58.80 2rjs n SER 434 Cb 1.31 -1.35 -0.16 0.00 -0.75 0.00 0.00 64.21 63.26 2rjs n SER 434 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2rjs s VAL 435 N 0.27 1.48 0.22 2.46 1.01 -1.26 -4.96 120.40 119.62 2rjs s VAL 435 Ca 0.75 -0.77 -0.32 0.00 0.00 0.00 0.00 61.98 61.63 2rjs s VAL 435 Cb -0.74 -1.52 -0.13 0.00 0.00 0.00 0.00 36.38 33.99 2rjs s VAL 435 CO 0.46 0.27 1.63 -0.81 0.00 0.00 0.00 175.10 176.65 2rjs n PRO 436 N 4.76 2.53 -3.53 2.72 -0.04 -1.26 -4.89 135.00 135.29 2rjs n PRO 436 Ca -0.15 0.91 -0.14 0.00 -0.04 0.00 0.00 63.50 64.08 2rjs n PRO 436 Cb 0.48 -2.70 -0.05 0.00 -0.04 0.00 0.00 33.50 31.19 2rjs n PRO 436 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2rjs n SER 437 N 3.26 -0.33 -3.59 3.54 3.41 -0.87 -4.85 113.62 114.20 2rjs n SER 437 Ca 0.14 -2.49 -0.28 0.00 -0.26 0.00 0.00 58.87 55.99 2rjs n SER 437 Cb 0.33 1.10 0.05 0.00 -0.26 0.00 0.00 64.21 65.43 2rjs n SER 437 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2rjs n ASN 438 N -2.07 -5.65 -2.90 4.04 5.15 -1.26 -2.12 115.26 110.45 2rjs n ASN 438 Ca 0.04 -0.94 -0.21 0.00 -0.60 0.00 0.00 54.58 52.88 2rjs n ASN 438 Cb 0.41 -3.75 0.01 0.00 -0.53 0.00 0.00 39.78 35.93 2rjs n ASN 438 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2rjs n GLY 439 N -1.60 -0.51 2.68 8.20 0.00 -1.26 -0.94 105.19 111.77 2rjs n GLY 439 Ca -0.09 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2rjs n GLY 439 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2rjs n ASP 440 N -2.29 -3.99 -0.05 1.61 8.00 -0.90 -4.86 116.55 114.07 2rjs n ASP 440 Ca -0.12 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.22 2rjs n ASP 440 Cb 0.62 -2.02 -0.06 0.00 -0.02 0.00 0.00 41.12 39.63 2rjs n ASP 440 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 2rjs h ASN 441 N 0.00 0.86 -2.17 -2.24 -1.24 -0.86 -3.19 115.58 106.74 2rjs h ASN 441 Ca 0.00 -0.59 -0.79 0.00 0.71 0.00 0.00 56.30 55.63 2rjs h ASN 441 Cb 0.47 -0.25 -0.23 0.00 0.73 0.00 0.00 38.32 39.04 2rjs h ASN 441 CO 0.00 1.31 1.36 0.00 -1.29 0.00 0.00 177.43 178.80 2rjs n GLN 442 N -4.06 4.52 0.00 6.67 6.02 -0.93 -4.75 117.38 124.84 2rjs n GLN 442 Ca -0.06 -4.19 0.14 0.00 -0.01 0.00 0.00 57.00 52.87 2rjs n GLN 442 Cb 0.66 -2.61 0.62 0.00 1.02 0.00 0.00 30.24 29.92 2rjs n GLN 442 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 2rjs n ASP 443 N 1.66 0.01 -3.54 1.08 5.68 -1.21 -2.05 116.55 118.18 2rjs n ASP 443 Ca 0.39 0.50 -0.15 0.00 -0.50 0.00 0.00 54.79 55.03 2rjs n ASP 443 Cb 0.31 -0.50 -0.12 0.00 -1.14 0.00 0.00 41.12 39.66 2rjs n ASP 443 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2rjs s VAL 444 N -3.00 -0.40 0.49 2.12 1.01 -1.26 -4.39 120.40 114.97 2rjs s VAL 444 Ca 0.14 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.18 2rjs s VAL 444 Cb 0.19 -0.60 -0.01 0.00 0.00 0.00 0.00 36.38 35.96 2rjs s VAL 444 CO 0.53 -0.07 0.05 0.68 0.00 0.00 0.00 175.10 176.29 2rjs s VAL 445 N 2.39 0.86 -0.05 2.92 -7.23 -1.26 -5.10 120.40 112.93 2rjs s VAL 445 Ca 0.06 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.32 2rjs s VAL 445 Cb -0.14 -2.12 -0.14 0.00 0.56 0.00 0.00 36.38 34.54 2rjs s VAL 445 CO -0.11 0.00 0.14 -1.54 -0.31 0.00 0.00 175.10 173.27 2rjs n SER 446 N -1.36 2.74 -2.25 4.85 3.41 -1.03 -4.54 113.62 115.44 2rjs n SER 446 Ca -0.16 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.26 2rjs n SER 446 Cb 0.66 1.13 -0.02 0.00 -0.26 0.00 0.00 64.21 65.72 2rjs n SER 446 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2rjs n MET 447 N -2.06 -1.75 0.10 4.33 2.81 0.58 -3.84 117.12 117.29 2rjs n MET 447 Ca -0.08 0.94 0.13 0.00 -1.81 0.00 0.00 57.70 56.88 2rjs n MET 447 Cb 0.50 -5.54 0.62 0.00 -0.71 0.00 0.00 33.22 28.09 2rjs n MET 447 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 2rjs h GLY 448 N 0.00 0.12 2.00 3.03 0.00 -1.81 -0.68 103.07 105.72 2rjs h GLY 448 Ca -0.43 -0.04 -0.11 0.00 0.00 0.00 0.00 47.33 46.74 2rjs h GLY 448 CO 0.53 0.03 -0.55 -2.00 0.00 0.00 0.00 176.54 174.56 2rjs h LEU 449 N 0.09 0.00 -0.32 3.11 5.85 -1.89 -0.39 115.31 121.76 2rjs h LEU 449 Ca 0.14 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.68 2rjs h LEU 449 Cb 0.43 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 2rjs h LEU 449 CO -0.01 0.55 -0.47 0.40 -0.34 0.00 0.00 178.44 178.56 2rjs h ILE 450 N 0.00 1.27 -0.48 4.05 2.04 -1.47 -1.49 117.51 121.44 2rjs h ILE 450 Ca -0.01 -1.65 0.00 0.00 1.00 0.00 0.00 64.86 64.20 2rjs h ILE 450 Cb 1.05 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 38.65 2rjs h ILE 450 CO 0.07 0.54 0.30 0.28 0.00 0.00 0.00 178.15 179.34 2rjs h SER 451 N 0.69 0.56 -0.63 1.72 0.02 -1.01 -1.04 113.55 113.87 2rjs h SER 451 Ca 0.03 -0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 2rjs h SER 451 Cb 1.08 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.44 2rjs h SER 451 CO 0.11 0.44 0.22 0.00 -1.14 0.00 0.00 176.83 176.46 2rjs h ALA 452 N 1.15 1.16 -0.00 3.77 0.00 -0.94 -1.93 119.26 122.46 2rjs h ALA 452 Ca 0.17 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 2rjs h ALA 452 Cb -0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2rjs h ALA 452 CO -0.03 0.59 -0.53 0.00 0.00 0.00 0.00 179.25 179.28 2rjs h ARG 453 N 0.96 0.01 -0.50 0.00 3.08 -0.87 -1.25 114.38 115.82 2rjs h ARG 453 Ca 0.22 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.22 2rjs h ARG 453 Cb 0.24 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 2rjs h ARG 453 CO -0.01 0.54 0.14 -0.91 -1.07 0.00 0.00 179.97 178.65 2rjs h ASN 454 N 0.01 0.74 -0.24 7.04 2.35 -0.67 -1.67 115.58 123.13 2rjs h ASN 454 Ca -0.00 -0.22 -0.02 0.00 -0.55 0.00 0.00 56.30 55.51 2rjs h ASN 454 Cb 0.94 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.10 2rjs h ASN 454 CO 0.07 0.76 0.09 0.00 -1.65 0.00 0.00 177.43 176.70 2rjs h ALA 455 N 1.00 0.31 -0.92 -0.83 0.00 -1.09 -2.23 119.26 115.51 2rjs h ALA 455 Ca 0.16 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 55.07 2rjs h ALA 455 Cb 0.30 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 2rjs h ALA 455 CO -0.00 -0.08 0.59 -0.09 0.00 0.00 0.00 179.25 179.67 2rjs h ARG 456 N 0.23 0.79 -0.49 0.00 2.43 -1.07 -0.35 114.38 115.93 2rjs h ARG 456 Ca 0.08 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 2rjs h ARG 456 Cb 0.21 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 2rjs h ARG 456 CO -0.00 0.53 0.13 -0.09 -1.51 0.00 0.00 179.97 179.02 2rjs h ARG 457 N 0.82 0.78 -0.16 0.20 2.43 -0.72 0.53 114.38 118.25 2rjs h ARG 457 Ca 0.45 -0.18 -0.16 0.00 -0.81 0.00 0.00 59.98 59.28 2rjs h ARG 457 Cb 0.58 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 2rjs h ARG 457 CO -0.22 0.75 -0.56 0.28 -1.51 0.00 0.00 179.97 178.72 2rjs h VAL 458 N 0.67 1.33 0.30 0.20 2.07 -0.96 0.20 116.25 120.07 2rjs h VAL 458 Ca 0.16 -1.83 -0.01 0.00 0.82 0.00 0.00 66.70 65.84 2rjs h VAL 458 Cb 0.32 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.90 2rjs h VAL 458 CO 0.00 0.56 -0.17 0.25 0.02 0.00 0.00 177.57 178.24 2rjs h LEU 459 N 0.38 -0.40 -0.41 2.57 5.85 -0.86 0.13 115.31 122.57 2rjs h LEU 459 Ca 0.00 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.80 2rjs h LEU 459 Cb 1.10 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.19 2rjs h LEU 459 CO 0.10 -0.27 0.13 -1.28 -0.34 0.00 0.00 178.44 176.78 2rjs h SER 460 N -0.44 0.11 -0.29 1.25 0.87 -0.73 -2.21 113.55 112.11 2rjs h SER 460 Ca -0.04 0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.52 2rjs h SER 460 Cb 0.35 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 2rjs h SER 460 CO 0.05 0.10 0.01 0.78 -0.53 0.00 0.00 176.83 177.24 2rjs h ASN 461 N 0.28 0.59 -0.00 6.23 2.35 -0.67 -2.83 115.58 121.54 2rjs h ASN 461 Ca 0.19 -0.12 -0.05 0.00 -0.55 0.00 0.00 56.30 55.77 2rjs h ASN 461 Cb 0.20 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 2rjs h ASN 461 CO -0.21 0.65 -0.13 0.78 -1.65 0.00 0.00 177.43 176.87 2rjs h ASN 462 N 0.59 0.26 -0.50 5.81 2.35 -0.12 -2.07 115.58 121.90 2rjs h ASN 462 Ca 0.12 -0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.83 2rjs h ASN 462 Cb 0.37 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 2rjs h ASN 462 CO 0.01 0.42 0.33 0.78 -1.65 0.00 0.00 177.43 177.32 2rjs h ASN 463 N 0.26 0.56 -0.25 5.81 2.35 -1.23 0.29 115.58 123.38 2rjs h ASN 463 Ca 0.05 -0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.63 2rjs h ASN 463 Cb 0.39 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.62 2rjs h ASN 463 CO 0.02 0.41 -0.45 0.11 -1.65 0.00 0.00 177.43 175.87 2rjs h LYS 464 N 0.67 0.74 -0.32 0.81 1.79 -1.45 0.60 116.57 119.41 2rjs h LYS 464 Ca 0.18 -0.47 -0.03 0.00 -2.18 0.00 0.00 60.65 58.16 2rjs h LYS 464 Cb -0.07 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 2rjs h LYS 464 CO -0.04 1.09 0.08 0.82 -1.08 0.00 0.00 179.45 180.32 2rjs h ILE 465 N 0.47 1.22 -0.29 1.86 2.04 -0.92 -2.61 117.51 119.28 2rjs h ILE 465 Ca 0.01 -0.73 -0.06 0.00 1.00 0.00 0.00 64.86 65.08 2rjs h ILE 465 Cb 1.05 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 2rjs h ILE 465 CO 0.10 0.24 -0.09 -0.07 0.00 0.00 0.00 178.15 178.33 2rjs h LEU 466 N 0.35 0.45 -0.37 1.44 3.38 -0.43 -2.30 115.31 117.83 2rjs h LEU 466 Ca 0.10 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.98 2rjs h LEU 466 Cb 0.29 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2rjs h LEU 466 CO 0.00 0.59 0.21 0.00 0.09 0.00 0.00 178.44 179.33 2rjs h ALA 467 N 1.46 0.47 -0.10 1.53 0.00 -0.53 0.21 119.26 122.30 2rjs h ALA 467 Ca 0.09 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2rjs h ALA 467 Cb 0.44 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2rjs h ALA 467 CO 0.02 -0.13 -0.18 0.28 0.00 0.00 0.00 179.25 179.24 2rjs h VAL 468 N 0.44 1.18 -0.18 0.00 2.07 -1.19 -1.59 116.25 116.98 2rjs h VAL 468 Ca 0.15 -0.84 -0.21 0.00 0.82 0.00 0.00 66.70 66.62 2rjs h VAL 468 Cb 0.01 1.31 0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2rjs h VAL 468 CO -0.07 0.25 -0.70 -0.08 0.02 0.00 0.00 177.57 176.99 2rjs h GLU 469 N 0.15 0.76 -0.54 1.57 4.81 -0.60 -1.72 114.58 119.01 2rjs h GLU 469 Ca 0.03 -0.57 -0.08 0.00 -0.13 0.00 0.00 59.36 58.60 2rjs h GLU 469 Cb 0.42 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 2rjs h GLU 469 CO 0.03 1.19 0.00 1.88 -0.73 0.00 0.00 179.01 181.38 2rjs h TYR 470 N 0.54 1.00 -0.40 0.92 -1.99 -0.26 -0.16 116.97 116.62 2rjs h TYR 470 Ca -0.03 -0.16 -0.07 0.00 2.00 0.00 0.00 58.73 60.48 2rjs h TYR 470 Cb 1.32 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 39.76 2rjs h TYR 470 CO 0.08 0.90 -0.01 -0.07 -0.00 0.00 0.00 178.16 179.06 2rjs h LEU 471 N 0.86 0.71 -0.21 3.88 3.38 -1.25 -1.93 115.31 120.74 2rjs h LEU 471 Ca 0.16 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2rjs h LEU 471 Cb 0.51 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2rjs h LEU 471 CO 0.02 0.85 0.09 0.00 0.09 0.00 0.00 178.44 179.49 2rjs h ALA 472 N 0.88 0.27 0.33 1.53 0.00 -1.08 -1.07 119.26 120.13 2rjs h ALA 472 Ca 0.11 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2rjs h ALA 472 Cb 0.49 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2rjs h ALA 472 CO 0.02 -0.14 -0.27 0.00 0.00 0.00 0.00 179.25 178.86 2rjs h ALA 473 N 0.93 -0.61 -0.93 0.00 0.00 -0.99 0.28 119.26 117.95 2rjs h ALA 473 Ca 0.07 -0.10 0.14 0.00 0.00 0.00 0.00 54.91 55.02 2rjs h ALA 473 Cb 0.17 0.38 -0.09 0.00 0.00 0.00 0.00 17.79 18.24 2rjs h ALA 473 CO -0.01 -0.87 0.54 0.00 0.00 0.00 0.00 179.25 178.91 2rjs h ALA 474 N -0.03 1.41 -0.41 0.00 0.00 -1.30 0.69 119.26 119.62 2rjs h ALA 474 Ca -0.02 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2rjs h ALA 474 Cb 0.54 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2rjs h ALA 474 CO -0.02 0.05 -0.13 0.37 0.00 0.00 0.00 179.25 179.52 2rjs h GLN 475 N 0.80 0.74 0.00 0.00 5.75 -0.59 -2.43 115.11 119.38 2rjs h GLN 475 Ca 0.49 -0.25 -0.05 0.00 -0.15 0.00 0.00 58.65 58.68 2rjs h GLN 475 Cb 0.60 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.08 2rjs h GLN 475 CO -0.32 0.84 -0.26 0.00 -2.65 0.00 0.00 178.83 176.45 2rjs h ALA 476 N 1.19 1.39 0.26 3.38 0.00 0.18 -2.09 119.26 123.57 2rjs h ALA 476 Ca 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2rjs h ALA 476 Cb 0.61 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2rjs h ALA 476 CO 0.04 0.32 -0.13 0.28 0.00 0.00 0.00 179.25 179.76 2rjs h VAL 477 N 0.00 0.68 -0.15 0.00 2.07 -0.70 -3.03 116.25 115.13 2rjs h VAL 477 Ca -0.00 -0.82 -0.10 0.00 0.82 0.00 0.00 66.70 66.60 2rjs h VAL 477 Cb 0.51 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 2rjs h VAL 477 CO 0.03 0.15 -0.35 -2.24 0.02 0.00 0.00 177.57 175.18 2rjs h ASP 478 N -0.85 0.32 -0.10 0.57 3.04 -1.48 -1.04 116.42 116.89 2rjs h ASP 478 Ca -0.04 -0.12 -0.01 0.00 -3.24 0.00 0.00 57.03 53.62 2rjs h ASP 478 Cb 0.51 -0.09 -0.01 0.00 -1.04 0.00 0.00 39.33 38.71 2rjs h ASP 478 CO 0.06 0.65 0.03 0.40 -2.04 0.00 0.00 179.24 178.34 2rjs h ILE 479 N 0.27 1.08 -0.24 4.15 2.04 -1.47 -1.72 117.51 121.62 2rjs h ILE 479 Ca 0.03 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.59 2rjs h ILE 479 Cb 0.75 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 2rjs h ILE 479 CO 0.06 0.10 0.00 -1.54 0.00 0.00 0.00 178.15 176.77 2rjs n SER 480 N -4.44 3.21 -4.02 1.72 3.41 -1.04 -4.97 113.62 107.49 2rjs n SER 480 Ca -0.01 -1.97 -0.32 0.00 -0.26 0.00 0.00 58.87 56.32 2rjs n SER 480 Cb 0.14 -0.15 0.01 0.00 -0.26 0.00 0.00 64.21 63.95 2rjs n SER 480 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rjs n GLY 481 N 1.37 -0.48 1.39 5.00 0.00 -0.45 -4.87 105.19 107.15 2rjs n GLY 481 Ca 0.17 0.17 0.08 0.00 0.00 0.00 0.00 46.02 46.44 2rjs n GLY 481 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rjs n ARG 482 N -4.59 3.69 -0.30 1.61 1.74 -0.84 -4.64 116.66 113.33 2rjs n ARG 482 Ca 0.05 -2.83 -0.01 0.00 -0.77 0.00 0.00 57.85 54.29 2rjs n ARG 482 Cb 0.51 -1.88 0.12 0.00 -1.02 0.00 0.00 32.46 30.19 2rjs n ARG 482 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2rjs h PHE 483 N 3.36 0.96 0.00 -1.55 3.57 -1.90 -2.60 116.94 118.78 2rjs h PHE 483 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2rjs h PHE 483 Cb 1.46 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.89 2rjs h PHE 483 CO 0.71 0.52 0.00 -0.44 -2.23 0.00 0.00 178.31 176.87 2rjs h ASP 484 N 0.97 0.00 0.27 0.41 3.32 -1.98 -2.64 116.42 116.78 2rjs h ASP 484 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 2rjs h ASP 484 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2rjs h ASP 484 CO -0.14 0.00 -0.41 0.61 -1.72 0.00 0.00 179.24 177.58 2rjs n GLY 485 N -0.31 -0.78 3.76 2.75 0.00 -0.98 -4.95 105.19 104.70 2rjs n GLY 485 Ca -0.00 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 2rjs n GLY 485 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rjs s LEU 486 N -2.69 3.81 1.18 0.99 1.43 -1.00 -1.36 118.68 121.04 2rjs s LEU 486 Ca 0.18 2.34 -0.17 0.00 -1.03 0.00 0.00 54.13 55.45 2rjs s LEU 486 Cb 0.18 -4.46 0.28 0.00 0.03 0.00 0.00 46.19 42.22 2rjs s LEU 486 CO 0.61 -1.29 1.06 -0.94 0.23 0.00 0.00 176.35 176.02 2rjs s SER 487 N -1.51 1.01 0.18 2.29 1.04 -1.26 -4.70 113.70 110.75 2rjs s SER 487 Ca 0.72 0.92 -0.13 0.00 0.48 0.00 0.00 55.95 57.94 2rjs s SER 487 Cb -0.29 -1.37 0.09 0.00 0.10 0.00 0.00 66.02 64.55 2rjs s SER 487 CO 0.33 -4.10 1.81 -0.65 0.98 0.00 0.00 173.24 171.62 2rjs h PRO 488 N -2.56 0.82 -0.49 4.02 0.11 -1.79 -1.78 132.00 130.34 2rjs h PRO 488 Ca -0.50 -0.08 -0.10 0.00 0.11 0.00 0.00 66.00 65.43 2rjs h PRO 488 Cb 1.32 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2rjs h PRO 488 CO 0.42 0.60 -0.09 0.00 -0.21 0.00 0.00 178.00 178.72 2rjs h ALA 489 N 1.18 0.67 -0.38 -0.75 0.00 -1.87 -2.31 119.26 115.80 2rjs h ALA 489 Ca 0.22 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2rjs h ALA 489 Cb -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2rjs h ALA 489 CO -0.04 0.55 0.04 0.00 0.00 0.00 0.00 179.25 179.80 2rjs h ALA 490 N 0.90 1.36 -0.41 0.00 0.00 -1.73 0.09 119.26 119.46 2rjs h ALA 490 Ca 0.13 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 2rjs h ALA 490 Cb 0.64 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2rjs h ALA 490 CO 0.04 0.45 -0.27 0.87 0.00 0.00 0.00 179.25 180.34 2rjs h LYS 491 N 0.55 0.88 -0.16 0.00 1.57 -1.16 -1.60 116.57 116.66 2rjs h LYS 491 Ca 0.12 -0.39 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 2rjs h LYS 491 Cb 0.30 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 2rjs h LYS 491 CO 0.01 1.04 0.07 0.00 -0.57 0.00 0.00 179.45 180.00 2rjs h ALA 492 N 0.94 0.20 0.04 3.86 0.00 -0.81 -0.69 119.26 122.79 2rjs h ALA 492 Ca 0.09 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2rjs h ALA 492 Cb 0.83 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2rjs h ALA 492 CO 0.07 -0.22 -0.11 1.15 0.00 0.00 0.00 179.25 180.13 2rjs h THR 493 N 0.12 0.72 -0.03 0.00 2.02 -0.91 -0.94 112.91 113.89 2rjs h THR 493 Ca 0.05 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.27 2rjs h THR 493 Cb 0.14 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.22 2rjs h THR 493 CO -0.01 0.00 -0.25 0.22 0.37 0.00 0.00 175.52 175.86 2rjs h TYR 494 N -0.21 -0.66 -0.02 3.16 3.20 -1.19 -0.90 116.97 120.35 2rjs h TYR 494 Ca 0.03 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 2rjs h TYR 494 Cb 0.25 0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.81 2rjs h TYR 494 CO -0.16 -0.33 -0.08 0.93 -1.64 0.00 0.00 178.16 176.88 2rjs h GLU 495 N -0.36 0.03 -0.43 1.82 5.08 -0.98 0.83 114.58 120.57 2rjs h GLU 495 Ca 0.07 -0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 2rjs h GLU 495 Cb 0.46 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2rjs h GLU 495 CO -0.24 0.11 -0.16 0.00 -1.00 0.00 0.00 179.01 177.72 2rjs h ALA 496 N 1.90 0.60 0.12 3.43 0.00 -0.30 -1.03 119.26 123.98 2rjs h ALA 496 Ca 0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2rjs h ALA 496 Cb 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2rjs h ALA 496 CO 0.01 0.53 -0.06 0.28 0.00 0.00 0.00 179.25 180.01 2rjs h VAL 497 N 0.70 1.06 0.00 0.00 2.07 -0.10 -3.10 116.25 116.87 2rjs h VAL 497 Ca 0.10 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.76 2rjs h VAL 497 Cb 0.71 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 2rjs h VAL 497 CO 0.05 0.20 0.00 0.03 0.02 0.00 0.00 177.57 177.87 2rjs h ARG 498 N -0.57 0.00 0.00 1.57 2.47 -0.87 0.76 114.38 117.73 2rjs h ARG 498 Ca -0.02 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.62 2rjs h ARG 498 Cb 0.45 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.76 2rjs h ARG 498 CO 0.03 0.00 -0.38 -0.09 0.56 0.00 0.00 179.97 180.08 2rjs h ARG 499 N 0.00 0.00 0.02 0.04 2.43 -1.10 -3.35 114.38 112.41 2rjs h ARG 499 Ca 0.00 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 58.79 2rjs h ARG 499 Cb 0.05 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.55 2rjs h ARG 499 CO 0.00 0.38 -2.15 1.28 -1.51 0.00 0.00 179.97 177.98 2rjs n LEU 500 N -3.33 2.22 -4.09 3.80 4.77 0.12 -4.98 117.00 115.51 2rjs n LEU 500 Ca 0.01 0.25 -0.25 0.00 -0.03 0.00 0.00 56.01 55.99 2rjs n LEU 500 Cb 0.60 -0.91 -0.16 0.00 -2.33 0.00 0.00 43.42 40.61 2rjs n LEU 500 CO 0.38 0.61 -0.48 -0.69 -1.33 0.00 0.00 177.39 175.87 2rjs s VAL 501 N -2.48 1.26 0.68 4.08 1.01 -0.36 -5.05 120.40 119.54 2rjs s VAL 501 Ca -0.34 -0.60 -0.12 0.00 0.00 0.00 0.00 61.98 60.92 2rjs s VAL 501 Cb 0.10 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.38 2rjs s VAL 501 CO 0.57 0.37 1.06 -2.84 0.00 0.00 0.00 175.10 174.27 2rjs s PRO 502 N 0.22 2.95 0.75 2.72 0.02 -1.26 -3.98 135.00 136.42 2rjs s PRO 502 Ca -0.07 1.06 -0.15 0.00 0.02 0.00 0.00 61.00 61.86 2rjs s PRO 502 Cb -0.12 -1.99 0.01 0.00 0.02 0.00 0.00 34.50 32.42 2rjs s PRO 502 CO 0.02 -1.10 0.88 -2.37 -0.33 0.00 0.00 177.00 174.11 2rjs n THR 503 N -2.86 2.26 -3.00 0.99 5.66 -1.26 -4.91 114.28 111.16 2rjs n THR 503 Ca 0.08 -0.33 -0.44 0.00 -3.05 0.00 0.00 64.05 60.31 2rjs n THR 503 Cb 0.53 -1.01 -0.04 0.00 -1.55 0.00 0.00 70.33 68.26 2rjs n THR 503 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 2rjs s LEU 504 N -2.84 4.89 0.00 1.09 2.96 -1.26 -4.95 118.68 118.58 2rjs s LEU 504 Ca 0.71 -1.18 0.00 0.00 -0.22 0.00 0.00 54.13 53.44 2rjs s LEU 504 Cb -0.33 -2.38 0.00 0.00 0.50 0.00 0.00 46.19 43.99 2rjs s LEU 504 CO 0.53 -1.25 0.00 0.61 -1.32 0.00 0.00 176.35 174.93 2rjs n GLY 505 N 5.29 1.63 3.88 7.98 0.00 -1.26 -4.60 105.19 118.10 2rjs n GLY 505 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 2rjs n GLY 505 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2rjs s VAL 506 N 0.11 4.75 0.55 1.61 -7.23 -1.26 -4.61 120.40 114.32 2rjs s VAL 506 Ca 0.00 0.71 -0.21 0.00 -1.81 0.00 0.00 61.98 60.67 2rjs s VAL 506 Cb 0.00 -3.84 -0.06 0.00 0.56 0.00 0.00 36.38 33.05 2rjs s VAL 506 CO 0.00 -0.94 1.14 0.47 -0.31 0.00 0.00 175.10 175.45 2rjs n ASP 507 N -2.31 1.63 -3.75 4.85 8.00 -1.26 -5.00 116.55 118.71 2rjs n ASP 507 Ca 0.04 0.91 -0.09 0.00 0.71 0.00 0.00 54.79 56.36 2rjs n ASP 507 Cb 0.54 -1.46 -0.03 0.00 -0.02 0.00 0.00 41.12 40.16 2rjs n ASP 507 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2rjs s ARG 508 N -2.71 1.58 -0.06 -1.24 1.70 -1.26 -5.12 118.95 111.84 2rjs s ARG 508 Ca 0.73 -0.87 -0.35 0.00 -0.47 0.00 0.00 55.73 54.77 2rjs s ARG 508 Cb -0.44 0.58 -0.13 0.00 -0.57 0.00 0.00 34.95 34.39 2rjs s ARG 508 CO 0.49 -0.71 1.80 0.98 -1.08 0.00 0.00 175.30 176.78 2rjs n TYR 509 N -0.41 2.26 -0.07 5.89 9.36 -1.26 -4.88 117.16 128.05 2rjs n TYR 509 Ca -0.08 0.12 -0.04 0.00 3.32 0.00 0.00 57.90 61.23 2rjs n TYR 509 Cb 0.61 -2.61 -0.16 0.00 -0.63 0.00 0.00 39.34 36.55 2rjs n TYR 509 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 2rjs n MET 510 N 5.80 0.68 -0.30 2.98 2.81 -1.26 -4.63 117.12 123.21 2rjs n MET 510 Ca 0.22 -0.04 0.06 0.00 -1.81 0.00 0.00 57.70 56.13 2rjs n MET 510 Cb 0.27 -1.54 0.16 0.00 -0.71 0.00 0.00 33.22 31.40 2rjs n MET 510 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2rjs h ALA 511 N 1.30 0.76 -0.41 3.04 0.00 -2.00 0.70 119.26 122.64 2rjs h ALA 511 Ca -0.37 0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 2rjs h ALA 511 Cb 1.86 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 20.22 2rjs h ALA 511 CO 0.02 -0.44 -0.28 -0.44 0.00 0.00 0.00 179.25 178.11 2rjs h ASP 512 N 0.03 0.91 -0.57 0.00 3.32 -2.00 -2.34 116.42 115.77 2rjs h ASP 512 Ca 0.45 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 2rjs h ASP 512 Cb 0.78 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 2rjs h ASP 512 CO -0.83 1.13 0.32 0.44 -1.72 0.00 0.00 179.24 178.58 2rjs h ASP 513 N 0.74 0.73 -0.06 6.45 3.32 -1.17 -1.80 116.42 124.63 2rjs h ASP 513 Ca 0.09 -0.05 -0.19 0.00 0.02 0.00 0.00 57.03 56.90 2rjs h ASP 513 Cb 0.84 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 40.22 2rjs h ASP 513 CO 0.07 0.59 -0.70 0.40 -1.72 0.00 0.00 179.24 177.88 2rjs h ILE 514 N 0.82 1.35 0.00 0.35 2.04 -1.12 -2.97 117.51 117.99 2rjs h ILE 514 Ca 0.21 -2.02 -0.02 0.00 1.00 0.00 0.00 64.86 64.03 2rjs h ILE 514 Cb 0.02 2.32 -0.00 0.00 -0.74 0.00 0.00 36.82 38.42 2rjs h ILE 514 CO -0.03 0.61 -0.12 -0.33 0.00 0.00 0.00 178.15 178.28 2rjs h GLU 515 N 0.19 0.00 0.04 2.37 4.39 -1.26 -0.94 114.58 119.37 2rjs h GLU 515 Ca -0.07 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 2rjs h GLU 515 Cb 1.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.01 2rjs h GLU 515 CO 0.14 0.12 -0.02 1.25 -1.16 0.00 0.00 179.01 179.34 2rjs h LEU 516 N 0.00 -0.04 -1.06 1.33 5.85 -1.31 -2.42 115.31 117.65 2rjs h LEU 516 Ca -0.00 -0.55 -0.09 0.00 0.84 0.00 0.00 57.88 58.08 2rjs h LEU 516 Cb 0.55 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 2rjs h LEU 516 CO 0.02 0.55 -0.32 0.58 -0.34 0.00 0.00 178.44 178.92 2rjs h VAL 517 N -0.66 1.27 -0.63 1.05 2.07 -1.36 -2.22 116.25 115.77 2rjs h VAL 517 Ca -0.01 -1.31 -0.02 0.00 0.82 0.00 0.00 66.70 66.18 2rjs h VAL 517 Cb 0.59 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 2rjs h VAL 517 CO 0.01 0.40 0.30 0.00 0.02 0.00 0.00 177.57 178.30 2rjs h ALA 518 N 1.44 0.82 -0.41 1.67 0.00 -1.19 -0.42 119.26 121.17 2rjs h ALA 518 Ca 0.03 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2rjs h ALA 518 Cb 0.69 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2rjs h ALA 518 CO 0.05 0.38 0.03 -0.44 0.00 0.00 0.00 179.25 179.28 2rjs h ASP 519 N 0.87 0.68 -0.80 0.00 3.32 -1.23 -0.71 116.42 118.55 2rjs h ASP 519 Ca 0.22 -0.29 0.07 0.00 0.02 0.00 0.00 57.03 57.05 2rjs h ASP 519 Cb 0.12 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.44 2rjs h ASP 519 CO -0.03 0.80 0.52 0.00 -1.72 0.00 0.00 179.24 178.81 2rjs h ALA 520 N 0.91 1.65 -0.19 3.45 0.00 -0.99 -1.69 119.26 122.40 2rjs h ALA 520 Ca 0.12 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 2rjs h ALA 520 Cb 0.43 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2rjs h ALA 520 CO 0.01 0.22 -0.61 -0.07 0.00 0.00 0.00 179.25 178.80 2rjs h LEU 521 N 0.84 0.72 -1.19 0.00 3.38 -0.64 -0.83 115.31 117.59 2rjs h LEU 521 Ca 0.35 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2rjs h LEU 521 Cb 0.28 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2rjs h LEU 521 CO -0.13 1.16 0.00 0.77 0.09 0.00 0.00 178.44 180.33 2rjs h SER 522 N 0.48 0.00 -0.25 -0.43 4.64 -0.20 -2.70 113.55 115.08 2rjs h SER 522 Ca -0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.23 2rjs h SER 522 Cb 1.18 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.22 2rjs h SER 522 CO 0.12 0.00 -0.06 -2.11 -0.87 0.00 0.00 176.83 173.91 2rjs n ARG 523 N -2.50 2.13 -1.95 4.77 1.85 -1.02 -4.98 116.66 114.97 2rjs n ARG 523 Ca 0.01 -2.99 -0.21 0.00 -1.00 0.00 0.00 57.85 53.66 2rjs n ARG 523 Cb 0.20 -1.77 -0.05 0.00 -1.05 0.00 0.00 32.46 29.78 2rjs n ARG 523 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2rjs n GLY 524 N -0.95 0.88 0.19 2.89 0.00 -1.02 -4.91 105.19 102.27 2rjs n GLY 524 Ca 0.26 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.24 2rjs n GLY 524 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2rjs h GLU 525 N 0.00 0.27 0.00 1.61 4.39 -1.39 -1.03 114.58 118.43 2rjs h GLU 525 Ca -0.45 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.14 2rjs h GLU 525 Cb 1.35 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.93 2rjs h GLU 525 CO 0.60 0.18 -0.42 0.74 -1.16 0.00 0.00 179.01 178.95 2rjs h PHE 526 N 0.28 0.00 0.00 4.33 0.04 -1.91 0.17 116.94 119.85 2rjs h PHE 526 Ca 0.22 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.91 2rjs h PHE 526 Cb 0.26 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.40 2rjs h PHE 526 CO -0.19 0.42 -0.41 1.25 -0.60 0.00 0.00 178.31 178.78 2rjs h LEU 527 N 0.00 0.00 0.19 1.54 5.85 -1.83 -3.04 115.31 118.03 2rjs h LEU 527 Ca -0.00 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.41 2rjs h LEU 527 Cb 0.80 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.85 2rjs h LEU 527 CO 0.05 0.41 -1.40 0.03 -0.34 0.00 0.00 178.44 177.20 2rjs h ARG 528 N 0.00 0.41 -0.75 1.25 3.08 -0.48 -3.04 114.38 114.86 2rjs h ARG 528 Ca -0.00 -0.70 0.06 0.00 0.07 0.00 0.00 59.98 59.41 2rjs h ARG 528 Cb 1.11 0.26 -0.06 0.00 0.08 0.00 0.00 29.97 31.36 2rjs h ARG 528 CO 0.05 1.33 0.44 0.00 -1.07 0.00 0.00 179.97 180.72 2rjs h ALA 529 N 0.35 1.02 -0.31 0.04 0.00 -0.91 -0.89 119.26 118.56 2rjs h ALA 529 Ca -0.21 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 2rjs h ALA 529 Cb 2.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.69 2rjs h ALA 529 CO 0.24 0.13 -0.24 0.82 0.00 0.00 0.00 179.25 180.20 2rjs h ILE 530 N 0.80 1.27 -0.10 0.00 2.04 -1.59 -1.29 117.51 118.64 2rjs h ILE 530 Ca 0.33 -1.31 -0.09 0.00 1.00 0.00 0.00 64.86 64.79 2rjs h ILE 530 Cb 0.20 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 2rjs h ILE 530 CO -0.18 0.43 -0.36 0.00 0.00 0.00 0.00 178.15 178.03 2rjs h ALA 531 N 1.19 1.22 -0.01 1.87 0.00 -1.16 -2.18 119.26 120.19 2rjs h ALA 531 Ca 0.08 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2rjs h ALA 531 Cb 0.71 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2rjs h ALA 531 CO 0.05 0.53 -0.38 0.54 0.00 0.00 0.00 179.25 180.00 2rjs n ARG 532 N -4.07 1.23 0.00 0.00 1.74 -0.44 -4.43 116.66 110.68 2rjs n ARG 532 Ca -0.01 -0.96 0.00 0.00 -0.77 0.00 0.00 57.85 56.11 2rjs n ARG 532 Cb 0.43 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 2rjs n ARG 532 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2rjs n GLU 533 N -0.05 5.21 -4.37 5.56 -0.58 -0.50 -5.07 120.64 120.83 2rjs n GLU 533 Ca 0.10 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.65 2rjs n GLU 533 Cb 0.45 -0.59 -0.09 0.00 -0.57 0.00 0.00 31.44 30.63 2rjs n GLU 533 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2rjs s THR 534 N -1.18 0.55 -2.03 2.62 -4.23 -0.82 -4.95 115.64 105.59 2rjs s THR 534 Ca 0.00 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 58.73 2rjs s THR 534 Cb 0.00 -2.56 0.62 0.00 1.34 0.00 0.00 72.50 71.90 2rjs s THR 534 CO 0.00 0.00 1.52 0.47 -0.54 0.00 0.00 174.62 176.07 2rjs n ASP 535 N -0.83 3.78 -4.72 3.99 8.00 -1.26 -4.72 116.55 120.80 2rjs n ASP 535 Ca -0.01 -2.00 -0.42 0.00 0.71 0.00 0.00 54.79 53.07 2rjs n ASP 535 Cb 0.65 -0.46 -0.03 0.00 -0.02 0.00 0.00 41.12 41.26 2rjs n ASP 535 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2rjs s ILE 536 N -1.08 3.43 -0.36 0.53 1.01 -1.26 -5.02 121.20 118.46 2rjs s ILE 536 Ca 0.47 1.03 -0.07 0.00 0.00 0.00 0.00 60.65 62.09 2rjs s ILE 536 Cb 0.25 -3.66 0.05 0.00 0.01 0.00 0.00 42.46 39.10 2rjs s ILE 536 CO 0.32 0.08 0.15 -1.10 0.00 0.00 0.00 174.94 174.39 2rjs s GLN 537 N 1.05 2.59 0.05 2.79 -1.52 -1.26 -4.74 119.66 118.61 2rjs s GLN 537 Ca 0.63 -1.27 -0.22 0.00 -1.95 0.00 0.00 55.36 52.56 2rjs s GLN 537 Cb -0.35 -3.55 -0.06 0.00 -0.22 0.00 0.00 33.01 28.83 2rjs s GLN 537 CO 0.30 -0.75 0.65 -0.51 -0.25 0.00 0.00 175.29 174.74 2rjs s LEU 538 N 1.40 4.48 0.00 2.90 1.43 -1.26 -5.00 118.68 122.63 2rjs s LEU 538 Ca 0.00 1.32 0.21 0.00 -1.03 0.00 0.00 54.13 54.62 2rjs s LEU 538 Cb -0.20 -3.04 1.23 0.00 0.03 0.00 0.00 46.19 44.21 2rjs s LEU 538 CO 0.02 0.14 1.62 0.54 0.23 0.00 0.00 176.35 178.90