#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rjr s VAL 13 N 0.00 4.94 -0.43 -1.45 1.01 0.83 -4.96 120.40 120.34 2rjr s VAL 13 Ca 0.00 0.03 -0.24 0.00 0.00 0.00 0.00 61.98 61.77 2rjr s VAL 13 Cb 0.00 -3.28 0.02 0.00 0.00 0.00 0.00 36.38 33.12 2rjr s VAL 13 CO 0.00 0.38 0.82 -0.55 0.00 0.00 0.00 175.10 175.75 2rjr s SER 14 N 0.95 6.47 -0.83 3.32 0.15 -1.26 -1.00 113.70 121.50 2rjr s SER 14 Ca 0.05 0.06 -0.17 0.00 0.70 0.00 0.00 55.95 56.60 2rjr s SER 14 Cb -0.14 -2.40 0.17 0.00 -1.71 0.00 0.00 66.02 61.94 2rjr s SER 14 CO 0.03 -0.90 0.90 -0.69 1.20 0.00 0.00 173.24 173.78 2rjr s VAL 15 N 3.36 5.15 -0.79 4.45 1.01 -0.84 -4.61 120.40 128.13 2rjr s VAL 15 Ca 0.32 -1.90 0.08 0.00 0.00 0.00 0.00 61.98 60.48 2rjr s VAL 15 Cb -0.12 -4.60 0.15 0.00 0.00 0.00 0.00 36.38 31.81 2rjr s VAL 15 CO 0.22 -1.23 0.98 -0.90 0.00 0.00 0.00 175.10 174.17 2rjr n ASP 16 N 5.34 2.20 0.00 3.32 5.68 -1.26 -4.35 116.55 127.48 2rjr n ASP 16 Ca 0.14 -1.70 0.00 0.00 -0.50 0.00 0.00 54.79 52.74 2rjr n ASP 16 Cb 0.47 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 2rjr n ASP 16 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2rjr n GLY 17 N 0.31 0.21 0.61 6.12 0.00 -1.22 -4.36 105.19 106.87 2rjr n GLY 17 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2rjr n GLY 17 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2rjr n GLU 18 N -0.68 0.00 -0.11 1.61 -0.58 -1.26 -4.45 120.64 115.17 2rjr n GLU 18 Ca 0.00 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.78 2rjr n GLU 18 Cb 0.28 -0.56 0.09 0.00 -0.57 0.00 0.00 31.44 30.69 2rjr n GLU 18 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2rjr n THR 19 N -2.34 1.27 -2.03 2.62 -2.24 -1.26 -4.87 114.28 105.43 2rjr n THR 19 Ca 0.00 -1.29 -0.41 0.00 -2.27 0.00 0.00 64.05 60.08 2rjr n THR 19 Cb 0.27 0.31 -0.02 0.00 -2.10 0.00 0.00 70.33 68.79 2rjr n THR 19 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2rjr s LEU 20 N -1.49 4.40 0.38 3.22 2.96 -1.26 -5.02 118.68 121.86 2rjr s LEU 20 Ca 0.16 2.78 0.08 0.00 -0.22 0.00 0.00 54.13 56.93 2rjr s LEU 20 Cb 0.11 -3.65 -0.05 0.00 0.50 0.00 0.00 46.19 43.10 2rjr s LEU 20 CO 0.06 -0.64 0.11 0.42 -1.32 0.00 0.00 176.35 174.98 2rjr s THR 21 N -1.00 2.53 0.16 3.68 -4.23 -1.26 -4.77 115.64 110.74 2rjr s THR 21 Ca 0.51 -1.80 -0.13 0.00 -1.18 0.00 0.00 61.69 59.09 2rjr s THR 21 Cb -0.42 -2.93 0.04 0.00 1.34 0.00 0.00 72.50 70.53 2rjr s THR 21 CO 0.54 -0.10 1.69 0.58 -0.54 0.00 0.00 174.62 176.79 2rjr h VAL 22 N 1.59 1.23 -0.55 2.29 2.07 -1.94 -2.10 116.25 118.84 2rjr h VAL 22 Ca -0.43 -0.76 0.06 0.00 0.82 0.00 0.00 66.70 66.39 2rjr h VAL 22 Cb 1.25 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 31.71 2rjr h VAL 22 CO 0.68 0.28 0.26 -0.08 0.02 0.00 0.00 177.57 178.74 2rjr h GLU 23 N 0.71 0.49 -0.66 1.57 4.81 -1.96 -2.03 114.58 117.51 2rjr h GLU 23 Ca 0.17 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 2rjr h GLU 23 Cb 0.26 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 2rjr h GLU 23 CO -0.01 0.32 0.37 0.00 -0.73 0.00 0.00 179.01 178.97 2rjr h ALA 24 N 1.32 1.41 -0.40 2.92 0.00 -1.88 -0.98 119.26 121.65 2rjr h ALA 24 Ca 0.25 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2rjr h ALA 24 Cb 0.19 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2rjr h ALA 24 CO -0.19 0.49 0.16 0.28 0.00 0.00 0.00 179.25 179.99 2rjr h VAL 25 N 0.92 1.20 -0.63 0.00 2.07 -0.71 -2.16 116.25 116.93 2rjr h VAL 25 Ca 0.24 -0.60 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 2rjr h VAL 25 Cb 0.01 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 2rjr h VAL 25 CO -0.04 0.22 0.18 0.03 0.02 0.00 0.00 177.57 177.98 2rjr h ARG 26 N 0.51 0.98 -0.32 1.57 3.08 -0.71 0.68 114.38 120.16 2rjr h ARG 26 Ca 0.13 -0.20 0.02 0.00 0.07 0.00 0.00 59.98 60.00 2rjr h ARG 26 Cb 0.19 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 2rjr h ARG 26 CO -0.01 0.85 0.16 0.00 -1.07 0.00 0.00 179.97 179.90 2rjr h ARG 27 N 0.94 0.33 -0.22 0.04 3.08 -0.93 1.13 114.38 118.74 2rjr h ARG 27 Ca 0.21 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 2rjr h ARG 27 Cb 0.30 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 2rjr h ARG 27 CO -0.00 0.22 0.06 0.28 -1.07 0.00 0.00 179.97 179.45 2rjr h VAL 28 N 0.34 1.21 -0.01 2.04 2.07 -1.06 -0.54 116.25 120.30 2rjr h VAL 28 Ca 0.13 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 2rjr h VAL 28 Cb 0.04 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2rjr h VAL 28 CO -0.09 0.21 -0.09 0.00 0.02 0.00 0.00 177.57 177.62 2rjr h ALA 29 N 0.87 0.02 0.11 1.67 0.00 -0.56 -2.98 119.26 118.40 2rjr h ALA 29 Ca 0.07 -0.39 -0.28 0.00 0.00 0.00 0.00 54.91 54.32 2rjr h ALA 29 Cb 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2rjr h ALA 29 CO 0.00 -0.06 -1.44 0.93 0.00 0.00 0.00 179.25 178.69 2rjr h GLU 30 N -0.59 0.23 -0.45 0.00 5.08 0.12 -3.38 114.58 115.58 2rjr h GLU 30 Ca -0.01 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2rjr h GLU 30 Cb 0.80 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.20 2rjr h GLU 30 CO 0.02 1.19 0.00 0.39 -1.00 0.00 0.00 179.01 179.61 2rjr n GLU 31 N -3.92 2.27 -3.10 2.33 1.02 -0.30 -4.94 120.64 113.99 2rjr n GLU 31 Ca -0.26 -1.95 -0.22 0.00 -0.02 0.00 0.00 57.16 54.72 2rjr n GLU 31 Cb 0.90 -1.45 0.02 0.00 -0.02 0.00 0.00 31.44 30.88 2rjr n GLU 31 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2rjr n ARG 32 N 1.11 -4.05 -2.02 3.49 5.12 -0.82 -4.91 116.66 114.59 2rjr n ARG 32 Ca 0.19 0.72 -0.40 0.00 -1.93 0.00 0.00 57.85 56.43 2rjr n ARG 32 Cb 0.49 -5.50 -0.00 0.00 -1.16 0.00 0.00 32.46 26.29 2rjr n ARG 32 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2rjr s ALA 33 N -3.04 3.29 0.36 7.54 0.00 -0.64 -4.96 121.76 124.31 2rjr s ALA 33 Ca 0.31 1.28 -0.28 0.00 0.00 0.00 0.00 51.96 53.28 2rjr s ALA 33 Cb -0.15 -3.50 -0.10 0.00 0.00 0.00 0.00 23.12 19.37 2rjr s ALA 33 CO 0.39 -0.87 1.28 0.99 0.00 0.00 0.00 175.76 177.55 2rjr s THR 34 N -1.24 2.77 0.06 0.00 2.01 -1.26 -4.55 115.64 113.43 2rjr s THR 34 Ca 0.56 0.74 0.04 0.00 0.31 0.00 0.00 61.69 63.34 2rjr s THR 34 Cb -0.39 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 2rjr s THR 34 CO 0.51 0.15 0.01 -0.69 -0.69 0.00 0.00 174.62 173.91 2rjr s VAL 35 N -1.20 4.13 -0.10 3.82 1.01 -1.26 -0.12 120.40 126.68 2rjr s VAL 35 Ca 0.52 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.62 2rjr s VAL 35 Cb -0.38 -2.93 0.05 0.00 0.00 0.00 0.00 36.38 33.12 2rjr s VAL 35 CO 0.50 0.20 0.19 -0.62 0.00 0.00 0.00 175.10 175.36 2rjr s ASP 36 N -2.09 0.69 -0.44 3.32 2.15 -0.17 -4.87 116.67 115.28 2rjr s ASP 36 Ca 0.24 0.37 -0.22 0.00 0.43 0.00 0.00 52.55 53.37 2rjr s ASP 36 Cb -0.12 0.38 0.02 0.00 -0.30 0.00 0.00 42.92 42.91 2rjr s ASP 36 CO 0.16 -0.25 0.74 -0.69 -0.17 0.00 0.00 175.17 174.97 2rjr s VAL 37 N 2.32 4.71 0.50 1.11 1.01 -1.26 -1.98 120.40 126.82 2rjr s VAL 37 Ca 0.03 0.38 -0.21 0.00 0.00 0.00 0.00 61.98 62.18 2rjr s VAL 37 Cb -0.12 -4.27 -0.09 0.00 0.00 0.00 0.00 36.38 31.90 2rjr s VAL 37 CO -0.07 -0.65 0.89 -0.81 0.00 0.00 0.00 175.10 174.46 2rjr n PRO 38 N 6.55 1.03 -0.23 2.72 -0.04 -1.26 -4.74 135.00 139.02 2rjr n PRO 38 Ca 0.01 0.38 0.17 0.00 -0.04 0.00 0.00 63.50 64.02 2rjr n PRO 38 Cb 0.48 -1.99 0.49 0.00 -0.04 0.00 0.00 33.50 32.44 2rjr n PRO 38 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2rjr h ALA 39 N 0.96 2.13 -0.67 0.55 0.00 -1.99 -0.47 119.26 119.76 2rjr h ALA 39 Ca -0.46 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 2rjr h ALA 39 Cb 1.36 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 2rjr h ALA 39 CO 0.53 -0.40 0.29 0.93 0.00 0.00 0.00 179.25 180.61 2rjr h GLU 40 N 0.45 0.99 -0.05 0.00 5.08 -1.99 0.52 114.58 119.57 2rjr h GLU 40 Ca 0.44 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 2rjr h GLU 40 Cb 1.04 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 2rjr h GLU 40 CO -0.17 0.80 0.01 0.77 -1.00 0.00 0.00 179.01 179.42 2rjr h SER 41 N 0.94 0.09 -0.80 1.42 0.02 -1.42 -0.86 113.55 112.94 2rjr h SER 41 Ca 0.23 -0.26 0.09 0.00 -0.84 0.00 0.00 61.79 61.01 2rjr h SER 41 Cb 0.17 -0.02 -0.07 0.00 0.14 0.00 0.00 62.40 62.61 2rjr h SER 41 CO -0.02 0.32 0.45 0.40 -1.14 0.00 0.00 176.83 176.84 2rjr h ILE 42 N -0.16 0.90 -0.31 3.27 1.08 -1.17 0.20 117.51 121.33 2rjr h ILE 42 Ca 0.02 -0.26 -0.01 0.00 -0.39 0.00 0.00 64.86 64.22 2rjr h ILE 42 Cb 0.27 0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 34.09 2rjr h ILE 42 CO 0.00 0.14 0.17 0.00 -0.69 0.00 0.00 178.15 177.77 2rjr h ALA 43 N 1.44 0.40 -0.73 1.87 0.00 -0.66 -0.04 119.26 121.54 2rjr h ALA 43 Ca 0.38 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 2rjr h ALA 43 Cb 0.35 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2rjr h ALA 43 CO -0.25 -0.08 0.24 -0.22 0.00 0.00 0.00 179.25 178.94 2rjr h LYS 44 N 0.39 1.12 0.13 0.00 3.64 -0.43 -0.74 116.57 120.68 2rjr h LYS 44 Ca 0.11 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 2rjr h LYS 44 Cb 0.05 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 2rjr h LYS 44 CO -0.02 0.95 -0.06 0.00 -2.27 0.00 0.00 179.45 178.05 2rjr h ALA 45 N 1.17 -0.17 -0.24 5.00 0.00 -0.74 -1.00 119.26 123.28 2rjr h ALA 45 Ca 0.24 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.15 2rjr h ALA 45 Cb 0.29 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 2rjr h ALA 45 CO -0.01 -0.57 -0.25 0.37 0.00 0.00 0.00 179.25 178.78 2rjr h GLN 46 N -0.22 -0.25 -0.82 0.00 5.75 -0.71 0.19 115.11 119.05 2rjr h GLN 46 Ca -0.02 0.02 0.14 0.00 -0.15 0.00 0.00 58.65 58.64 2rjr h GLN 46 Cb 0.18 0.06 -0.09 0.00 1.07 0.00 0.00 27.48 28.69 2rjr h GLN 46 CO 0.03 -0.17 0.40 -0.22 -2.65 0.00 0.00 178.83 176.22 2rjr h LYS 47 N -0.26 0.57 -0.37 1.69 3.64 -1.03 -1.27 116.57 119.53 2rjr h LYS 47 Ca 0.13 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.40 2rjr h LYS 47 Cb 0.47 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2rjr h LYS 47 CO -0.39 0.38 -0.07 0.77 -2.27 0.00 0.00 179.45 177.87 2rjr h SER 48 N 0.59 0.70 -0.34 4.20 0.02 -0.66 -2.90 113.55 115.16 2rjr h SER 48 Ca 0.44 -0.35 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2rjr h SER 48 Cb 0.62 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 2rjr h SER 48 CO -0.36 0.89 0.20 -0.09 -1.14 0.00 0.00 176.83 176.32 2rjr h ARG 49 N 0.50 0.46 0.07 3.45 9.65 -0.30 -0.10 114.38 128.10 2rjr h ARG 49 Ca 0.10 -0.04 0.01 0.00 -1.10 0.00 0.00 59.98 58.94 2rjr h ARG 49 Cb 0.57 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.04 2rjr h ARG 49 CO 0.03 0.36 -0.08 0.93 2.80 0.00 0.00 179.97 184.01 2rjr h GLU 50 N 0.43 -0.17 -0.38 0.20 5.08 -1.20 0.94 114.58 119.49 2rjr h GLU 50 Ca 0.12 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2rjr h GLU 50 Cb 0.02 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2rjr h GLU 50 CO -0.02 -0.11 0.18 0.82 -1.00 0.00 0.00 179.01 178.88 2rjr h ILE 51 N -0.17 1.17 -0.46 3.13 2.04 -1.44 -2.62 117.51 119.15 2rjr h ILE 51 Ca 0.01 -0.48 0.01 0.00 1.00 0.00 0.00 64.86 65.40 2rjr h ILE 51 Cb 0.18 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 2rjr h ILE 51 CO -0.03 0.18 0.29 0.15 0.00 0.00 0.00 178.15 178.73 2rjr h PHE 52 N 0.47 0.54 -0.89 1.37 3.57 -0.78 -2.21 116.94 119.01 2rjr h PHE 52 Ca 0.13 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.72 2rjr h PHE 52 Cb 0.12 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 38.62 2rjr h PHE 52 CO -0.01 0.32 0.58 0.93 -2.23 0.00 0.00 178.31 177.90 2rjr h GLU 53 N 0.58 0.93 -0.20 1.11 5.08 -0.67 -0.01 114.58 121.39 2rjr h GLU 53 Ca 0.18 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2rjr h GLU 53 Cb -0.02 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 2rjr h GLU 53 CO -0.07 0.61 0.06 0.78 -1.00 0.00 0.00 179.01 179.40 2rjr h GLY 54 N 0.96 0.30 0.80 -3.84 0.00 -1.02 -1.05 103.07 99.22 2rjr h GLY 54 Ca 0.40 -0.13 -0.19 0.00 0.00 0.00 0.00 47.33 47.40 2rjr h GLY 54 CO -0.16 0.13 -0.81 -2.22 0.00 0.00 0.00 176.54 173.48 2rjr h ILE 55 N 0.28 1.45 -0.13 2.60 2.04 -0.86 -3.28 117.51 119.62 2rjr h ILE 55 Ca 0.07 -2.37 -0.04 0.00 1.00 0.00 0.00 64.86 63.52 2rjr h ILE 55 Cb 0.10 2.93 -0.01 0.00 -0.74 0.00 0.00 36.82 39.10 2rjr h ILE 55 CO -0.01 0.69 -0.09 0.00 0.00 0.00 0.00 178.15 178.74 2rjr h ALA 56 N 0.19 1.61 0.00 1.87 0.00 -0.95 -1.55 119.26 120.43 2rjr h ALA 56 Ca -0.13 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2rjr h ALA 56 Cb 1.58 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 2rjr h ALA 56 CO 0.16 0.29 -0.08 0.93 0.00 0.00 0.00 179.25 180.54 2rjr h GLU 57 N 0.19 0.00 0.00 0.00 4.39 -1.25 -1.61 114.58 116.29 2rjr h GLU 57 Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2rjr h GLU 57 Cb 0.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2rjr h GLU 57 CO 0.02 0.08 0.00 1.04 -1.16 0.00 0.00 179.01 178.98 2rjr n GLN 58 N -3.45 0.88 -4.06 2.33 6.02 -0.58 -4.88 117.38 113.64 2rjr n GLN 58 Ca -0.02 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.68 2rjr n GLN 58 Cb 0.22 -1.30 -0.04 0.00 1.02 0.00 0.00 30.24 30.14 2rjr n GLN 58 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2rjr n ASN 59 N -0.80 -0.58 -4.87 1.08 3.02 -0.61 -4.97 115.26 107.53 2rjr n ASN 59 Ca 0.13 -1.12 -0.33 0.00 -0.03 0.00 0.00 54.58 53.23 2rjr n ASN 59 Cb 0.06 -2.48 -0.05 0.00 -0.61 0.00 0.00 39.78 36.69 2rjr n ASN 59 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2rjr s ILE 60 N -4.03 5.02 -0.14 2.41 1.01 -1.25 -5.01 121.20 119.21 2rjr s ILE 60 Ca 0.08 0.40 -0.29 0.00 0.00 0.00 0.00 60.65 60.84 2rjr s ILE 60 Cb -0.04 -3.64 -0.06 0.00 0.01 0.00 0.00 42.46 38.74 2rjr s ILE 60 CO 0.93 0.09 2.02 -2.84 0.00 0.00 0.00 174.94 175.15 2rjr s PRO 61 N -2.42 3.56 -0.04 2.79 0.02 -1.26 -4.69 135.00 132.96 2rjr s PRO 61 Ca 0.41 2.13 -0.01 0.00 0.02 0.00 0.00 61.00 63.54 2rjr s PRO 61 Cb -0.13 -4.25 0.03 0.00 0.02 0.00 0.00 34.50 30.18 2rjr s PRO 61 CO 0.21 -1.60 0.06 0.42 -0.33 0.00 0.00 177.00 175.76 2rjr s ILE 62 N 6.53 -0.10 0.09 2.83 1.01 -1.26 -5.00 121.20 125.30 2rjr s ILE 62 Ca 0.91 0.32 -0.35 0.00 0.00 0.00 0.00 60.65 61.54 2rjr s ILE 62 Cb -0.34 -0.14 -0.14 0.00 0.01 0.00 0.00 42.46 41.84 2rjr s ILE 62 CO 0.36 0.13 1.59 0.00 0.00 0.00 0.00 174.94 177.02 2rjr n TYR 63 N 4.78 2.14 -0.71 3.97 9.36 -1.26 -0.90 117.16 134.54 2rjr n TYR 63 Ca -0.15 0.30 0.00 0.00 3.32 0.00 0.00 57.90 61.37 2rjr n TYR 63 Cb 0.50 -2.52 0.00 0.00 -0.63 0.00 0.00 39.34 36.69 2rjr n TYR 63 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2rjr n GLY 64 N 3.43 0.80 0.49 2.98 0.00 -1.24 -4.55 105.19 107.09 2rjr n GLY 64 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 2rjr n GLY 64 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2rjr n VAL 65 N -2.00 0.59 -1.90 1.61 0.31 -0.51 -4.55 118.33 111.88 2rjr n VAL 65 Ca 0.00 -0.17 0.05 0.00 -0.01 0.00 0.00 64.34 64.21 2rjr n VAL 65 Cb 0.00 -1.42 0.11 0.00 -0.91 0.00 0.00 33.84 31.62 2rjr n VAL 65 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2rjr n THR 66 N -3.29 1.16 -3.96 2.52 -2.24 -0.08 -4.87 114.28 103.52 2rjr n THR 66 Ca -0.20 -2.00 -0.09 0.00 -2.27 0.00 0.00 64.05 59.48 2rjr n THR 66 Cb 0.66 0.28 -0.06 0.00 -2.10 0.00 0.00 70.33 69.12 2rjr n THR 66 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2rjr s THR 67 N -1.71 0.03 1.07 4.28 -4.23 -1.23 -1.01 115.64 112.84 2rjr s THR 67 Ca 0.32 -1.34 -0.17 0.00 -1.18 0.00 0.00 61.69 59.33 2rjr s THR 67 Cb 0.33 -2.00 0.23 0.00 1.34 0.00 0.00 72.50 72.40 2rjr s THR 67 CO -0.09 -0.12 1.17 -0.83 -0.54 0.00 0.00 174.62 174.21 2rjr s GLY 68 N -2.99 1.63 0.06 3.99 0.00 0.12 -3.72 107.32 106.41 2rjr s GLY 68 Ca 0.19 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 44.02 2rjr s GLY 68 CO 0.04 -0.12 0.18 -0.19 0.00 0.00 0.00 173.10 173.02 2rjr s TYR 69 N -3.28 3.46 0.00 1.90 1.51 -1.26 -3.82 117.35 115.86 2rjr s TYR 69 Ca 0.70 0.23 0.00 0.00 -1.01 0.00 0.00 57.07 56.99 2rjr s TYR 69 Cb -0.10 -1.74 0.00 0.00 -0.11 0.00 0.00 41.96 40.01 2rjr s TYR 69 CO 0.55 0.58 0.00 0.41 -1.11 0.00 0.00 175.55 175.98 2rjr n GLY 70 N 0.39 3.37 0.34 0.71 0.00 -1.26 -1.59 105.19 107.15 2rjr n GLY 70 Ca -0.06 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 45.98 2rjr n GLY 70 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2rjr h GLU 71 N 0.00 0.27 -0.99 1.61 4.57 -1.94 -2.06 114.58 116.04 2rjr h GLU 71 Ca 0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2rjr h GLU 71 Cb 0.00 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 2rjr h GLU 71 CO 0.00 0.18 0.00 -1.33 -1.18 0.00 0.00 179.01 176.68 2rjr n MET 72 N -4.46 0.95 0.16 1.92 2.81 -0.62 -3.79 117.12 114.08 2rjr n MET 72 Ca 0.07 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 56.09 2rjr n MET 72 Cb 0.34 -1.31 0.54 0.00 -0.71 0.00 0.00 33.22 32.09 2rjr n MET 72 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 2rjr h ILE 73 N 0.02 0.00 0.00 2.02 2.10 -1.47 -1.75 117.51 118.43 2rjr h ILE 73 Ca 0.00 -0.26 0.00 0.00 1.08 0.00 0.00 64.86 65.68 2rjr h ILE 73 Cb 0.65 1.03 0.00 0.00 -1.09 0.00 0.00 36.82 37.41 2rjr h ILE 73 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 2rjr n TYR 74 N -2.40 0.07 -3.23 2.19 4.11 -1.25 -4.37 117.16 112.29 2rjr n TYR 74 Ca 0.02 0.03 -0.39 0.00 -0.00 0.00 0.00 57.90 57.55 2rjr n TYR 74 Cb 0.23 -0.54 -0.07 0.00 -0.00 0.00 0.00 39.34 38.96 2rjr n TYR 74 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.86 175.22 2rjr s MET 75 N -3.02 4.19 -0.17 -3.48 -1.94 -0.67 -4.99 119.30 109.21 2rjr s MET 75 Ca 0.08 0.44 -0.15 0.00 -1.71 0.00 0.00 55.69 54.34 2rjr s MET 75 Cb 0.11 -3.57 -0.04 0.00 2.01 0.00 0.00 34.83 33.34 2rjr s MET 75 CO 0.31 -0.17 0.34 -0.65 -0.01 0.00 0.00 175.02 174.84 2rjr s GLN 76 N 1.71 4.23 -0.14 2.03 -1.52 -1.26 -0.71 119.66 124.01 2rjr s GLN 76 Ca 0.24 0.16 -0.00 0.00 -1.95 0.00 0.00 55.36 53.81 2rjr s GLN 76 Cb -0.15 -3.47 -0.01 0.00 -0.22 0.00 0.00 33.01 29.15 2rjr s GLN 76 CO 0.10 0.13 -0.13 0.08 -0.25 0.00 0.00 175.29 175.22 2rjr s VAL 77 N 0.79 2.99 0.42 1.09 1.01 -0.18 -4.92 120.40 121.60 2rjr s VAL 77 Ca 0.18 -0.67 -0.25 0.00 0.00 0.00 0.00 61.98 61.24 2rjr s VAL 77 Cb -0.14 -2.27 -0.08 0.00 0.00 0.00 0.00 36.38 33.89 2rjr s VAL 77 CO 0.06 0.51 1.21 -0.62 0.00 0.00 0.00 175.10 176.26 2rjr s ASP 78 N 0.56 6.37 0.66 3.32 -1.08 -1.26 -4.39 116.67 120.84 2rjr s ASP 78 Ca -0.08 2.43 0.30 0.00 -0.52 0.00 0.00 52.55 54.68 2rjr s ASP 78 Cb -0.16 -2.62 1.64 0.00 -1.46 0.00 0.00 42.92 40.32 2rjr s ASP 78 CO 0.04 -0.79 1.93 0.07 0.52 0.00 0.00 175.17 176.93 2rjr h LYS 79 N 2.51 0.00 0.00 4.34 2.10 -1.90 0.13 116.57 123.75 2rjr h LYS 79 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 2rjr h LYS 79 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 2rjr h LYS 79 CO 0.62 0.00 0.00 -1.13 -2.00 0.00 0.00 179.45 176.94 2rjr n SER 80 N -2.94 0.35 -1.65 7.07 3.41 -1.26 -1.75 113.62 116.85 2rjr n SER 80 Ca -0.02 0.60 0.09 0.00 -0.26 0.00 0.00 58.87 59.28 2rjr n SER 80 Cb 0.39 -0.67 0.37 0.00 -0.26 0.00 0.00 64.21 64.04 2rjr n SER 80 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2rjr n LYS 81 N -1.90 3.95 -0.19 4.33 4.76 0.44 -4.76 118.16 124.79 2rjr n LYS 81 Ca 0.02 -2.90 -0.05 0.00 -2.87 0.00 0.00 58.31 52.52 2rjr n LYS 81 Cb 0.18 -1.97 -0.04 0.00 -1.84 0.00 0.00 35.03 31.35 2rjr n LYS 81 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2rjr n GLU 82 N 1.03 -0.19 -0.11 1.97 2.13 -0.72 -1.33 120.64 123.42 2rjr n GLU 82 Ca 0.26 1.09 -0.12 0.00 0.66 0.00 0.00 57.16 59.05 2rjr n GLU 82 Cb 0.95 -1.61 -0.03 0.00 0.27 0.00 0.00 31.44 31.02 2rjr n GLU 82 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2rjr h VAL 83 N 0.00 1.29 -0.71 6.31 2.07 -1.86 -3.13 116.25 120.22 2rjr h VAL 83 Ca 0.07 -1.30 -0.06 0.00 0.82 0.00 0.00 66.70 66.23 2rjr h VAL 83 Cb 0.18 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 2rjr h VAL 83 CO -0.41 0.42 0.20 -0.08 0.02 0.00 0.00 177.57 177.72 2rjr h GLU 84 N 0.50 1.12 -0.04 1.57 4.81 -1.83 -1.21 114.58 119.51 2rjr h GLU 84 Ca 0.07 -0.25 0.02 0.00 -0.13 0.00 0.00 59.36 59.08 2rjr h GLU 84 Cb 0.72 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 2rjr h GLU 84 CO 0.05 0.97 -0.10 1.25 -0.73 0.00 0.00 179.01 180.45 2rjr h LEU 85 N 1.07 -0.29 -0.99 1.64 5.85 -1.23 0.24 115.31 121.59 2rjr h LEU 85 Ca 0.23 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.94 2rjr h LEU 85 Cb 0.33 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 2rjr h LEU 85 CO -0.00 -0.14 0.04 1.56 -0.34 0.00 0.00 178.44 179.56 2rjr h GLN 86 N -0.15 0.77 -0.07 1.25 1.08 -1.47 -2.79 115.11 113.74 2rjr h GLN 86 Ca 0.05 -0.19 -0.08 0.00 -1.45 0.00 0.00 58.65 56.99 2rjr h GLN 86 Cb 0.22 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 2rjr h GLN 86 CO -0.13 0.75 -0.26 1.15 -0.95 0.00 0.00 178.83 179.39 2rjr h THR 87 N 0.73 1.43 -0.89 -0.54 2.02 -0.76 -2.69 112.91 112.22 2rjr h THR 87 Ca 0.15 -1.67 0.06 0.00 0.77 0.00 0.00 66.41 65.72 2rjr h THR 87 Cb 0.39 2.32 -0.06 0.00 -1.74 0.00 0.00 68.15 69.06 2rjr h THR 87 CO 0.01 0.47 0.58 0.78 0.37 0.00 0.00 175.52 177.74 2rjr h ASN 88 N -0.21 0.90 0.64 4.18 2.35 -0.56 -1.08 115.58 121.80 2rjr h ASN 88 Ca -0.01 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 2rjr h ASN 88 Cb 0.90 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 39.08 2rjr h ASN 88 CO 0.05 0.59 -0.40 0.25 -1.65 0.00 0.00 177.43 176.28 2rjr h LEU 89 N 1.03 -1.00 -0.38 1.61 5.85 -1.46 0.28 115.31 121.25 2rjr h LEU 89 Ca 0.38 0.06 0.03 0.00 0.84 0.00 0.00 57.88 59.19 2rjr h LEU 89 Cb 0.17 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 2rjr h LEU 89 CO -0.14 -0.62 0.17 0.58 -0.34 0.00 0.00 178.44 178.10 2rjr h VAL 90 N -0.98 0.95 0.26 1.05 2.07 -1.12 -1.37 116.25 117.10 2rjr h VAL 90 Ca -0.08 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 2rjr h VAL 90 Cb 0.79 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2rjr h VAL 90 CO 0.08 0.06 -0.13 0.03 0.02 0.00 0.00 177.57 177.64 2rjr h ARG 91 N 0.36 -0.34 0.00 1.57 3.08 -1.13 -2.17 114.38 115.74 2rjr h ARG 91 Ca 0.17 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 2rjr h ARG 91 Cb 0.10 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 2rjr h ARG 91 CO -0.13 -0.20 -0.14 0.66 -1.07 0.00 0.00 179.97 179.08 2rjr h SER 92 N -0.38 0.00 0.14 7.04 4.64 -0.15 -2.26 113.55 122.57 2rjr h SER 92 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2rjr h SER 92 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2rjr h SER 92 CO 0.06 0.14 -0.70 1.41 -0.87 0.00 0.00 176.83 176.87 2rjr n HIS 93 N -3.38 0.00 -2.27 4.77 8.25 -0.54 -4.63 115.22 117.43 2rjr n HIS 93 Ca -0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 2rjr n HIS 93 Cb 0.34 -0.07 -0.03 0.00 1.12 0.00 0.00 29.99 31.35 2rjr n HIS 93 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2rjr n SER 94 N -1.11 4.07 -1.18 0.41 7.64 -0.82 -4.20 113.62 118.44 2rjr n SER 94 Ca 0.06 -2.82 0.02 0.00 1.01 0.00 0.00 58.87 57.14 2rjr n SER 94 Cb 0.36 -1.71 0.12 0.00 -1.01 0.00 0.00 64.21 61.97 2rjr n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2rjr n ALA 95 N 10.40 3.36 -1.78 -0.43 0.00 -1.26 -5.00 120.51 125.80 2rjr n ALA 95 Ca 0.48 -3.04 -0.35 0.00 0.00 0.00 0.00 53.44 50.53 2rjr n ALA 95 Cb 0.45 -0.50 -0.00 0.00 0.00 0.00 0.00 19.45 19.40 2rjr n ALA 95 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2rjr s GLY 96 N -2.95 2.63 0.35 0.00 0.00 -1.26 -4.87 107.32 101.23 2rjr s GLY 96 Ca 0.38 0.81 0.04 0.00 0.00 0.00 0.00 44.72 45.95 2rjr s GLY 96 CO -0.09 1.17 0.17 -1.34 0.00 0.00 0.00 173.10 173.02 2rjr s VAL 97 N -1.77 0.37 0.00 1.40 -7.23 0.15 -4.87 120.40 108.44 2rjr s VAL 97 Ca 0.72 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.89 2rjr s VAL 97 Cb -0.23 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.26 2rjr s VAL 97 CO 0.27 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.67 2rjr n GLY 98 N -0.73 -1.99 3.69 2.32 0.00 -1.26 -1.36 105.19 105.85 2rjr n GLY 98 Ca -0.00 -1.49 -0.31 0.00 0.00 0.00 0.00 46.02 44.22 2rjr n GLY 98 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2rjr s PRO 99 N 0.00 1.18 0.15 1.61 0.02 -1.26 -4.59 135.00 132.12 2rjr s PRO 99 Ca 0.00 1.28 -0.08 0.00 0.02 0.00 0.00 61.00 62.22 2rjr s PRO 99 Cb 0.00 -1.77 -0.06 0.00 0.02 0.00 0.00 34.50 32.69 2rjr s PRO 99 CO 0.00 -2.43 0.43 -0.51 -0.33 0.00 0.00 177.00 174.17 2rjr s LEU 100 N -6.43 4.26 0.64 -5.54 1.43 -1.26 -0.11 118.68 111.67 2rjr s LEU 100 Ca 0.65 0.74 -0.16 0.00 -1.03 0.00 0.00 54.13 54.33 2rjr s LEU 100 Cb -0.21 -3.32 -0.01 0.00 0.03 0.00 0.00 46.19 42.68 2rjr s LEU 100 CO 0.58 0.05 1.15 -0.36 0.23 0.00 0.00 176.35 178.00 2rjr s PHE 101 N -1.63 2.49 0.87 0.29 0.40 0.10 -4.83 117.98 115.68 2rjr s PHE 101 Ca 0.40 1.55 -0.11 0.00 -0.60 0.00 0.00 56.93 58.18 2rjr s PHE 101 Cb -0.12 -3.29 0.11 0.00 0.51 0.00 0.00 43.02 40.22 2rjr s PHE 101 CO 0.22 -1.91 1.09 0.00 0.70 0.00 0.00 175.22 175.32 2rjr s ALA 102 N -2.05 1.71 0.24 5.36 0.00 -1.26 -4.72 121.76 121.04 2rjr s ALA 102 Ca 0.71 -0.01 -0.06 0.00 0.00 0.00 0.00 51.96 52.60 2rjr s ALA 102 Cb -0.24 -3.20 0.33 0.00 0.00 0.00 0.00 23.12 20.00 2rjr s ALA 102 CO 0.38 -2.21 1.84 1.49 0.00 0.00 0.00 175.76 177.25 2rjr h GLU 103 N -1.45 0.88 -0.43 0.00 4.81 -1.94 0.54 114.58 116.99 2rjr h GLU 103 Ca -0.48 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 58.58 2rjr h GLU 103 Cb 1.27 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 2rjr h GLU 103 CO 0.54 0.58 -0.20 0.38 -0.73 0.00 0.00 179.01 179.58 2rjr h ASP 104 N 0.91 0.86 -0.26 1.04 2.03 -1.92 -0.84 116.42 118.23 2rjr h ASP 104 Ca 0.37 -0.31 -0.04 0.00 -0.73 0.00 0.00 57.03 56.32 2rjr h ASP 104 Cb 0.20 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 38.45 2rjr h ASP 104 CO -0.18 1.04 0.01 -0.33 -1.03 0.00 0.00 179.24 178.74 2rjr h GLU 105 N 0.74 0.46 -0.81 4.15 5.08 -1.74 -1.40 114.58 121.04 2rjr h GLU 105 Ca 0.10 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2rjr h GLU 105 Cb 0.73 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 2rjr h GLU 105 CO 0.06 0.62 0.53 0.00 -1.00 0.00 0.00 179.01 179.21 2rjr h ALA 106 N 0.82 1.05 -0.72 3.43 0.00 -0.77 -2.05 119.26 121.02 2rjr h ALA 106 Ca 0.07 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2rjr h ALA 106 Cb 0.41 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2rjr h ALA 106 CO 0.01 0.39 0.26 0.00 0.00 0.00 0.00 179.25 179.92 2rjr h ARG 107 N 1.06 1.10 -0.91 0.00 3.08 -0.93 -1.76 114.38 116.03 2rjr h ARG 107 Ca 0.31 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 2rjr h ARG 107 Cb -0.06 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 29.77 2rjr h ARG 107 CO -0.09 0.93 0.53 0.00 -1.07 0.00 0.00 179.97 180.27 2rjr h ALA 108 N 1.13 1.16 -0.32 0.04 0.00 -0.72 0.42 119.26 120.96 2rjr h ALA 108 Ca 0.24 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2rjr h ALA 108 Cb 0.26 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2rjr h ALA 108 CO -0.01 0.63 0.05 0.82 0.00 0.00 0.00 179.25 180.74 2rjr h ILE 109 N 1.26 1.23 -0.74 0.00 2.04 -1.07 -0.95 117.51 119.27 2rjr h ILE 109 Ca 0.32 -0.82 -0.06 0.00 1.00 0.00 0.00 64.86 65.31 2rjr h ILE 109 Cb -0.03 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 2rjr h ILE 109 CO -0.06 0.27 0.24 0.58 0.00 0.00 0.00 178.15 179.18 2rjr h VAL 110 N 0.37 1.26 -0.73 1.67 2.07 -0.97 -1.86 116.25 118.07 2rjr h VAL 110 Ca 0.10 -0.90 -0.05 0.00 0.82 0.00 0.00 66.70 66.67 2rjr h VAL 110 Cb 0.35 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 2rjr h VAL 110 CO 0.01 0.36 0.26 0.00 0.02 0.00 0.00 177.57 178.21 2rjr h ALA 111 N 1.12 1.09 -0.55 1.67 0.00 -0.71 -0.93 119.26 120.94 2rjr h ALA 111 Ca 0.24 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2rjr h ALA 111 Cb 0.30 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2rjr h ALA 111 CO -0.01 0.64 0.03 0.00 0.00 0.00 0.00 179.25 179.91 2rjr h ALA 112 N 1.21 0.74 -0.35 0.00 0.00 -0.86 -1.24 119.26 118.77 2rjr h ALA 112 Ca 0.24 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2rjr h ALA 112 Cb 0.25 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2rjr h ALA 112 CO -0.01 0.54 -0.08 -0.09 0.00 0.00 0.00 179.25 179.60 2rjr h ARG 113 N 0.84 0.68 -0.85 0.00 9.65 -1.07 -2.13 114.38 121.50 2rjr h ARG 113 Ca 0.16 -0.26 0.01 0.00 -1.10 0.00 0.00 59.98 58.79 2rjr h ARG 113 Cb 0.49 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.99 2rjr h ARG 113 CO 0.02 0.84 0.56 1.25 2.80 0.00 0.00 179.97 185.45 2rjr h LEU 114 N 0.47 0.97 -0.87 3.80 5.85 -1.04 -1.57 115.31 122.92 2rjr h LEU 114 Ca 0.09 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 2rjr h LEU 114 Cb 0.59 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 2rjr h LEU 114 CO 0.03 0.70 0.02 -1.13 -0.34 0.00 0.00 178.44 177.73 2rjr h ASN 115 N 1.15 0.83 -0.10 1.25 -1.24 -1.09 -0.45 115.58 115.92 2rjr h ASN 115 Ca 0.31 -0.20 -0.00 0.00 0.71 0.00 0.00 56.30 57.12 2rjr h ASN 115 Cb -0.13 -0.22 -0.00 0.00 0.73 0.00 0.00 38.32 38.70 2rjr h ASN 115 CO -0.07 0.88 0.06 0.74 -1.29 0.00 0.00 177.43 177.75 2rjr h THR 116 N 0.81 1.05 0.00 -3.57 2.02 -0.71 -2.58 112.91 109.93 2rjr h THR 116 Ca 0.16 -0.14 -0.08 0.00 0.77 0.00 0.00 66.41 67.12 2rjr h THR 116 Cb 0.45 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 2rjr h THR 116 CO 0.02 0.05 -0.40 -0.07 0.37 0.00 0.00 175.52 175.49 2rjr h LEU 117 N 0.11 0.00 0.00 2.58 3.38 -1.09 -2.51 115.31 117.78 2rjr h LEU 117 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2rjr h LEU 117 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2rjr h LEU 117 CO -0.01 0.40 0.00 0.00 0.09 0.00 0.00 178.44 178.92 2rjr n ALA 118 N -2.45 1.58 0.20 1.53 0.00 -0.20 -2.06 120.51 119.11 2rjr n ALA 118 Ca -0.02 -0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.46 2rjr n ALA 118 Cb 0.43 -1.20 0.35 0.00 0.00 0.00 0.00 19.45 19.03 2rjr n ALA 118 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2rjr h LYS 119 N 0.00 0.00 0.00 0.00 3.64 -1.30 -3.39 116.57 115.52 2rjr h LYS 119 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2rjr h LYS 119 Cb 0.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2rjr h LYS 119 CO 0.00 0.30 0.00 0.41 -2.27 0.00 0.00 179.45 177.89 2rjr n GLY 120 N 0.39 0.66 0.88 5.01 0.00 -0.88 -4.95 105.19 106.31 2rjr n GLY 120 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2rjr n GLY 120 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2rjr n HIS 121 N -2.00 0.26 0.85 1.61 8.25 -1.26 -4.14 115.22 118.79 2rjr n HIS 121 Ca 0.00 -0.13 0.12 0.00 -0.26 0.00 0.00 57.72 57.45 2rjr n HIS 121 Cb 0.00 0.00 0.26 0.00 1.12 0.00 0.00 29.99 31.37 2rjr n HIS 121 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2rjr n SER 122 N 1.01 0.52 -3.42 0.41 7.64 -1.26 -0.77 113.62 117.75 2rjr n SER 122 Ca 0.17 -0.05 -0.24 0.00 1.01 0.00 0.00 58.87 59.76 2rjr n SER 122 Cb 0.50 0.15 0.05 0.00 -1.01 0.00 0.00 64.21 63.90 2rjr n SER 122 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2rjr n ALA 123 N -1.62 -1.16 -2.70 -0.43 0.00 -1.26 -4.90 120.51 108.44 2rjr n ALA 123 Ca 0.05 0.30 -0.29 0.00 0.00 0.00 0.00 53.44 53.50 2rjr n ALA 123 Cb 0.37 -4.54 -0.04 0.00 0.00 0.00 0.00 19.45 15.24 2rjr n ALA 123 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2rjr s VAL 124 N -3.23 5.17 0.38 0.00 1.01 -1.26 -4.59 120.40 117.88 2rjr s VAL 124 Ca 0.48 -0.15 -0.26 0.00 0.00 0.00 0.00 61.98 62.05 2rjr s VAL 124 Cb -0.22 -3.68 -0.09 0.00 0.00 0.00 0.00 36.38 32.39 2rjr s VAL 124 CO 0.60 -0.09 1.23 -0.13 0.00 0.00 0.00 175.10 176.71 2rjr s ARG 125 N -3.04 4.12 0.49 2.72 0.52 -1.26 -4.60 118.95 117.89 2rjr s ARG 125 Ca 0.40 2.01 0.25 0.00 -0.52 0.00 0.00 55.73 57.87 2rjr s ARG 125 Cb -0.11 -2.81 1.31 0.00 0.52 0.00 0.00 34.95 33.85 2rjr s ARG 125 CO 0.27 -0.32 1.90 -1.35 0.02 0.00 0.00 175.30 175.82 2rjr h PRO 126 N 2.87 0.15 -0.10 3.54 0.11 -1.89 -0.09 132.00 136.59 2rjr h PRO 126 Ca -0.49 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.64 2rjr h PRO 126 Cb 1.24 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2rjr h PRO 126 CO 0.63 0.10 0.08 0.97 -0.21 0.00 0.00 178.00 179.57 2rjr h ILE 127 N 0.16 0.88 -0.33 4.15 2.10 -1.99 -0.21 117.51 122.28 2rjr h ILE 127 Ca 0.41 0.00 -0.04 0.00 1.08 0.00 0.00 64.86 66.31 2rjr h ILE 127 Cb 1.37 0.95 -0.01 0.00 -1.09 0.00 0.00 36.82 38.03 2rjr h ILE 127 CO -0.07 0.00 0.04 0.40 -1.08 0.00 0.00 178.15 177.44 2rjr h ILE 128 N 0.00 1.24 -0.28 2.19 1.08 -1.37 0.16 117.51 120.53 2rjr h ILE 128 Ca 0.05 -0.84 -0.01 0.00 -0.39 0.00 0.00 64.86 63.67 2rjr h ILE 128 Cb 0.20 1.15 -0.01 0.00 -3.07 0.00 0.00 36.82 35.09 2rjr h ILE 128 CO -0.00 0.28 0.14 -0.07 -0.69 0.00 0.00 178.15 177.81 2rjr h LEU 129 N 0.38 0.35 -0.70 1.44 4.07 -1.25 -2.30 115.31 117.30 2rjr h LEU 129 Ca 0.10 -0.10 -0.00 0.00 0.08 0.00 0.00 57.88 57.95 2rjr h LEU 129 Cb 0.37 -0.09 -0.03 0.00 1.08 0.00 0.00 40.66 41.98 2rjr h LEU 129 CO 0.01 0.36 0.42 -0.33 -1.08 0.00 0.00 178.44 177.82 2rjr h GLU 130 N 0.32 0.95 -0.27 1.13 5.08 -0.91 -1.47 114.58 119.42 2rjr h GLU 130 Ca 0.10 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 2rjr h GLU 130 Cb 0.09 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 2rjr h GLU 130 CO -0.01 0.67 -0.30 -0.09 -1.00 0.00 0.00 179.01 178.28 2rjr h ARG 131 N 0.95 0.55 -0.22 2.33 9.65 -0.86 0.29 114.38 127.06 2rjr h ARG 131 Ca 0.25 -0.23 -0.03 0.00 -1.10 0.00 0.00 59.98 58.86 2rjr h ARG 131 Cb -0.03 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.52 2rjr h ARG 131 CO -0.05 0.79 0.01 -0.07 2.80 0.00 0.00 179.97 183.45 2rjr h LEU 132 N 0.47 0.38 -1.43 3.80 3.38 -1.18 -0.43 115.31 120.29 2rjr h LEU 132 Ca 0.06 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 2rjr h LEU 132 Cb 0.76 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2rjr h LEU 132 CO 0.06 0.59 -0.01 0.00 0.09 0.00 0.00 178.44 179.17 2rjr h ALA 133 N 0.80 1.54 -0.23 1.53 0.00 -1.09 -1.98 119.26 119.83 2rjr h ALA 133 Ca 0.06 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2rjr h ALA 133 Cb 0.39 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2rjr h ALA 133 CO 0.01 0.34 -0.10 0.37 0.00 0.00 0.00 179.25 179.87 2rjr h GLN 134 N 0.35 0.47 -0.84 0.00 4.15 -0.53 -0.33 115.11 118.38 2rjr h GLN 134 Ca 0.08 -0.20 0.07 0.00 0.77 0.00 0.00 58.65 59.37 2rjr h GLN 134 Cb 0.25 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 27.86 2rjr h GLN 134 CO 0.01 0.73 0.52 1.88 -1.93 0.00 0.00 178.83 180.04 2rjr h TYR 135 N 0.19 0.95 0.02 3.99 -1.99 -0.64 0.48 116.97 119.97 2rjr h TYR 135 Ca 0.05 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.81 2rjr h TYR 135 Cb 0.58 -0.30 0.00 0.00 2.00 0.00 0.00 36.73 39.01 2rjr h TYR 135 CO 0.06 0.47 -0.01 -0.07 -0.00 0.00 0.00 178.16 178.61 2rjr h LEU 136 N 0.93 -0.02 -1.38 3.88 3.38 -1.19 0.13 115.31 121.04 2rjr h LEU 136 Ca 0.38 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 2rjr h LEU 136 Cb 0.20 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2rjr h LEU 136 CO -0.19 0.29 -0.31 0.78 0.09 0.00 0.00 178.44 179.10 2rjr h ASN 137 N -0.34 0.00 -0.14 -0.43 -0.26 -0.61 -2.93 115.58 110.88 2rjr h ASN 137 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2rjr h ASN 137 Cb 0.32 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.58 2rjr h ASN 137 CO 0.00 0.31 0.00 -0.62 -1.06 0.00 0.00 177.43 176.07 2rjr n GLU 138 N -4.07 2.15 -1.70 0.81 1.02 0.17 -4.97 120.64 114.05 2rjr n GLU 138 Ca -0.02 -1.70 -0.05 0.00 -0.02 0.00 0.00 57.16 55.38 2rjr n GLU 138 Cb 0.36 -1.47 -0.01 0.00 -0.02 0.00 0.00 31.44 30.31 2rjr n GLU 138 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rjr n GLY 139 N 1.32 0.40 3.39 0.62 0.00 -0.77 -4.99 105.19 105.16 2rjr n GLY 139 Ca 0.17 -0.77 -0.44 0.00 0.00 0.00 0.00 46.02 44.98 2rjr n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rjr s ILE 140 N -2.20 4.76 -0.28 -0.61 1.01 0.38 -5.02 121.20 119.23 2rjr s ILE 140 Ca 0.00 -0.86 -0.13 0.00 0.00 0.00 0.00 60.65 59.66 2rjr s ILE 140 Cb 0.00 -4.50 -0.04 0.00 0.01 0.00 0.00 42.46 37.93 2rjr s ILE 140 CO 0.00 -1.14 0.28 -0.89 0.00 0.00 0.00 174.94 173.18 2rjr s THR 141 N 2.87 5.25 0.60 2.92 2.01 -1.26 -4.55 115.64 123.47 2rjr s THR 141 Ca 0.13 0.32 -0.19 0.00 0.31 0.00 0.00 61.69 62.26 2rjr s THR 141 Cb -0.23 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 2rjr s THR 141 CO 0.07 0.19 1.27 -2.84 -0.69 0.00 0.00 174.62 172.62 2rjr s PRO 142 N 1.90 2.90 -0.50 4.92 0.02 -1.26 0.17 135.00 143.15 2rjr s PRO 142 Ca 0.11 2.00 -0.21 0.00 0.02 0.00 0.00 61.00 62.91 2rjr s PRO 142 Cb -0.16 -1.99 0.04 0.00 0.02 0.00 0.00 34.50 32.41 2rjr s PRO 142 CO 0.11 -1.31 0.73 0.00 -0.33 0.00 0.00 177.00 176.19 2rjr s ALA 143 N -1.45 3.31 -0.26 -1.55 0.00 -0.13 -4.27 121.76 117.40 2rjr s ALA 143 Ca 0.77 -1.43 -0.02 0.00 0.00 0.00 0.00 51.96 51.28 2rjr s ALA 143 Cb -0.35 -3.45 0.03 0.00 0.00 0.00 0.00 23.12 19.34 2rjr s ALA 143 CO 0.39 -2.05 -0.04 0.42 0.00 0.00 0.00 175.76 174.47 2rjr s ILE 144 N 3.08 3.02 0.38 0.00 1.01 -1.26 -4.70 121.20 122.72 2rjr s ILE 144 Ca 0.22 -1.04 -0.25 0.00 0.00 0.00 0.00 60.65 59.57 2rjr s ILE 144 Cb -0.16 -2.57 -0.09 0.00 0.01 0.00 0.00 42.46 39.66 2rjr s ILE 144 CO 0.16 0.14 1.10 -2.16 0.00 0.00 0.00 174.94 174.18 2rjr s PRO 145 N 1.33 4.20 0.44 2.79 0.04 -1.26 0.03 135.00 142.57 2rjr s PRO 145 Ca -0.00 1.69 0.23 0.00 0.04 0.00 0.00 61.00 62.96 2rjr s PRO 145 Cb -0.17 -2.71 0.94 0.00 0.04 0.00 0.00 34.50 32.60 2rjr s PRO 145 CO -0.03 -0.15 1.84 0.93 0.04 0.00 0.00 177.00 179.63 2rjr h GLU 146 N 2.78 0.00 -6.13 4.56 5.08 -0.55 -3.43 114.58 116.90 2rjr h GLU 146 Ca -0.48 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.21 2rjr h GLU 146 Cb 1.22 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.32 2rjr h GLU 146 CO 0.63 0.24 -0.65 0.42 -1.00 0.00 0.00 179.01 178.65 2rjr s ILE 147 N -3.72 4.06 0.00 3.13 1.01 -0.46 -4.68 121.20 120.55 2rjr s ILE 147 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.12 2rjr s ILE 147 Cb 0.11 -2.76 0.00 0.00 0.01 0.00 0.00 42.46 39.81 2rjr s ILE 147 CO 0.64 0.46 0.00 0.61 0.00 0.00 0.00 174.94 176.65 2rjr n GLY 148 N 1.69 1.29 3.74 6.18 0.00 -1.26 -0.67 105.19 116.17 2rjr n GLY 148 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 2rjr n GLY 148 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rjr s SER 149 N -0.02 7.29 0.00 1.61 0.15 -1.26 -4.59 113.70 116.87 2rjr s SER 149 Ca 0.00 2.14 0.19 0.00 0.70 0.00 0.00 55.95 58.98 2rjr s SER 149 Cb 0.00 -2.61 0.23 0.00 -1.71 0.00 0.00 66.02 61.93 2rjr s SER 149 CO 0.00 -0.18 1.19 0.18 1.20 0.00 0.00 173.24 175.63 2rjr n LEU 150 N 1.98 2.84 -2.67 3.45 4.77 -1.26 -4.84 117.00 121.26 2rjr n LEU 150 Ca 0.01 -1.21 -0.03 0.00 -0.03 0.00 0.00 56.01 54.76 2rjr n LEU 150 Cb 0.46 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2rjr n LEU 150 CO 0.54 0.55 -0.27 0.61 -1.33 0.00 0.00 177.39 177.48 2rjr n GLY 151 N 1.14 -3.13 2.62 -0.72 0.00 -1.26 -0.84 105.19 102.99 2rjr n GLY 151 Ca 0.13 0.69 -0.12 0.00 0.00 0.00 0.00 46.02 46.72 2rjr n GLY 151 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2rjr n ASP 155 N 0.30 2.17 0.05 1.61 8.00 -0.68 -1.89 116.55 126.10 2rjr n ASP 155 Ca 0.04 -2.88 -0.15 0.00 0.71 0.00 0.00 54.79 52.51 2rjr n ASP 155 Cb 0.16 -0.51 -0.09 0.00 -0.02 0.00 0.00 41.12 40.66 2rjr n ASP 155 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2rjr h LEU 156 N 2.87 -1.56 0.12 0.64 3.38 -1.83 -2.34 115.31 116.59 2rjr h LEU 156 Ca -0.01 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2rjr h LEU 156 Cb 1.14 0.59 -0.01 0.00 0.09 0.00 0.00 40.66 42.48 2rjr h LEU 156 CO 0.55 -0.49 -0.12 0.00 0.09 0.00 0.00 178.44 178.47 2rjr h ALA 157 N -0.49 -0.24 -0.49 1.53 0.00 -1.81 0.10 119.26 117.87 2rjr h ALA 157 Ca 0.01 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.95 2rjr h ALA 157 Cb 0.67 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 2rjr h ALA 157 CO -0.34 -0.65 0.20 -1.35 0.00 0.00 0.00 179.25 177.11 2rjr h PRO 158 N -0.27 0.39 -0.04 0.00 0.11 -1.83 -2.22 132.00 128.14 2rjr h PRO 158 Ca 0.01 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.98 2rjr h PRO 158 Cb 0.26 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 2rjr h PRO 158 CO -0.04 0.26 -0.48 -0.07 -0.21 0.00 0.00 178.00 177.47 2rjr h LEU 159 N 0.40 0.12 -1.04 2.35 3.38 -1.28 -2.79 115.31 116.45 2rjr h LEU 159 Ca 0.23 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 2rjr h LEU 159 Cb 0.20 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2rjr h LEU 159 CO -0.21 0.58 -0.03 0.28 0.09 0.00 0.00 178.44 179.15 2rjr h SER 160 N 0.09 0.62 -0.00 -0.43 0.02 -0.22 0.45 113.55 114.08 2rjr h SER 160 Ca 0.00 -0.14 -0.09 0.00 -0.84 0.00 0.00 61.79 60.72 2rjr h SER 160 Cb 0.88 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 2rjr h SER 160 CO 0.07 0.71 -0.26 0.45 -1.14 0.00 0.00 176.83 176.66 2rjr h HIS 161 N 0.61 0.46 0.20 3.45 3.86 -1.17 0.00 115.15 122.57 2rjr h HIS 161 Ca 0.12 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 2rjr h HIS 161 Cb 0.43 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.79 2rjr h HIS 161 CO 0.02 0.64 -0.10 0.28 0.86 0.00 0.00 177.93 179.63 2rjr h VAL 162 N 0.37 0.89 -0.80 2.45 2.07 -1.18 -3.10 116.25 116.95 2rjr h VAL 162 Ca 0.06 -0.71 0.12 0.00 0.82 0.00 0.00 66.70 66.98 2rjr h VAL 162 Cb 0.65 1.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.66 2rjr h VAL 162 CO 0.05 0.15 0.52 0.00 0.02 0.00 0.00 177.57 178.31 2rjr h ALA 163 N 0.05 1.85 -0.55 1.67 0.00 -0.73 -1.48 119.26 120.07 2rjr h ALA 163 Ca -0.03 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.95 2rjr h ALA 163 Cb 0.46 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 2rjr h ALA 163 CO 0.05 -0.03 0.23 0.77 0.00 0.00 0.00 179.25 180.26 2rjr h SER 164 N 0.65 0.27 0.18 0.00 0.02 -0.92 -1.29 113.55 112.46 2rjr h SER 164 Ca 0.38 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.37 2rjr h SER 164 Cb 0.58 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.14 2rjr h SER 164 CO -0.15 0.18 -0.06 0.71 -1.14 0.00 0.00 176.83 176.37 2rjr h THR 165 N 0.43 0.57 0.00 -2.27 1.35 -0.98 0.20 112.91 112.21 2rjr h THR 165 Ca 0.26 -0.27 -0.08 0.00 -0.55 0.00 0.00 66.41 65.77 2rjr h THR 165 Cb 0.26 1.17 -0.01 0.00 -1.73 0.00 0.00 68.15 67.84 2rjr h THR 165 CO -0.24 0.06 -0.37 -0.07 -0.25 0.00 0.00 175.52 174.65 2rjr h LEU 166 N 0.00 0.00 -3.50 3.87 3.38 -1.20 -2.80 115.31 115.05 2rjr h LEU 166 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 2rjr h LEU 166 Cb 0.17 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.84 2rjr h LEU 166 CO 0.01 0.37 0.11 2.30 0.09 0.00 0.00 178.44 181.32 2rjr n ILE 167 N -3.62 2.65 -1.72 1.22 -5.35 -0.63 -1.35 119.36 110.55 2rjr n ILE 167 Ca -0.01 -1.92 -0.11 0.00 -0.27 0.00 0.00 62.75 60.44 2rjr n ILE 167 Cb 0.49 -0.31 -0.03 0.00 -1.74 0.00 0.00 39.64 38.04 2rjr n ILE 167 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2rjr n GLY 168 N -0.43 0.64 3.01 3.28 0.00 -1.06 -4.74 105.19 105.89 2rjr n GLY 168 Ca 0.33 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 2rjr n GLY 168 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2rjr n GLU 169 N -2.40 0.92 0.00 1.61 1.02 0.62 -3.41 120.64 119.00 2rjr n GLU 169 Ca -0.12 -3.07 0.00 0.00 -0.02 0.00 0.00 57.16 53.95 2rjr n GLU 169 Cb 0.47 0.94 0.00 0.00 -0.02 0.00 0.00 31.44 32.83 2rjr n GLU 169 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rjr n GLY 170 N -0.10 0.49 3.17 0.62 0.00 -1.26 -2.56 105.19 105.55 2rjr n GLY 170 Ca -0.16 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 2rjr n GLY 170 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2rjr s TYR 171 N 0.00 0.94 0.08 1.61 1.51 -1.26 -2.74 117.35 117.48 2rjr s TYR 171 Ca 0.00 -0.79 0.06 0.00 -1.01 0.00 0.00 57.07 55.33 2rjr s TYR 171 Cb 0.00 -0.53 -0.04 0.00 -0.11 0.00 0.00 41.96 41.28 2rjr s TYR 171 CO 0.00 -0.08 -0.10 0.08 -1.11 0.00 0.00 175.55 174.33 2rjr s VAL 172 N -3.05 3.35 -0.28 0.71 1.01 0.72 -0.96 120.40 121.89 2rjr s VAL 172 Ca 0.08 -1.16 -0.23 0.00 0.00 0.00 0.00 61.98 60.67 2rjr s VAL 172 Cb 0.01 -2.52 -0.00 0.00 0.00 0.00 0.00 36.38 33.86 2rjr s VAL 172 CO -0.03 0.20 0.76 -0.22 0.00 0.00 0.00 175.10 175.81 2rjr s LEU 173 N -1.95 4.09 -0.10 3.92 2.96 0.45 -0.73 118.68 127.32 2rjr s LEU 173 Ca 0.20 0.73 -0.01 0.00 -0.22 0.00 0.00 54.13 54.83 2rjr s LEU 173 Cb -0.11 -3.04 0.03 0.00 0.50 0.00 0.00 46.19 43.57 2rjr s LEU 173 CO 0.11 -0.54 -0.03 -0.13 -1.32 0.00 0.00 176.35 174.44 2rjr s ARG 174 N 2.83 1.01 -1.60 1.98 0.52 0.49 -4.53 118.95 119.65 2rjr s ARG 174 Ca 0.31 -0.09 -0.14 0.00 -0.52 0.00 0.00 55.73 55.29 2rjr s ARG 174 Cb -0.15 -1.32 0.11 0.00 0.52 0.00 0.00 34.95 34.12 2rjr s ARG 174 CO 0.11 -0.31 0.82 -0.25 0.02 0.00 0.00 175.30 175.69 2rjr n ASP 175 N 5.05 -3.49 0.00 0.23 8.00 -1.26 -0.03 116.55 125.05 2rjr n ASP 175 Ca -0.09 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.49 2rjr n ASP 175 Cb 0.50 -3.25 0.00 0.00 -0.02 0.00 0.00 41.12 38.35 2rjr n ASP 175 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rjr n GLY 176 N -1.58 2.29 3.59 0.44 0.00 -1.26 -5.01 105.19 103.66 2rjr n GLY 176 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 2rjr n GLY 176 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rjr s ARG 177 N -0.02 2.37 -0.07 1.61 0.52 0.95 -5.04 118.95 119.29 2rjr s ARG 177 Ca 0.00 -0.85 -0.29 0.00 -0.52 0.00 0.00 55.73 54.07 2rjr s ARG 177 Cb 0.00 -2.41 -0.02 0.00 0.52 0.00 0.00 34.95 33.03 2rjr s ARG 177 CO 0.00 0.56 0.96 -1.25 0.02 0.00 0.00 175.30 175.59 2rjr s PRO 178 N -1.76 4.47 0.02 3.54 0.04 -1.26 -0.38 135.00 139.66 2rjr s PRO 178 Ca 0.19 1.33 0.07 0.00 0.04 0.00 0.00 61.00 62.63 2rjr s PRO 178 Cb -0.11 -3.50 -0.02 0.00 0.04 0.00 0.00 34.50 30.90 2rjr s PRO 178 CO 0.10 -0.18 -0.21 0.14 0.04 0.00 0.00 177.00 176.89 2rjr s VAL 179 N 1.53 1.71 0.16 -0.36 -7.23 0.10 -4.91 120.40 111.40 2rjr s VAL 179 Ca 0.48 -1.09 -0.34 0.00 -1.81 0.00 0.00 61.98 59.22 2rjr s VAL 179 Cb -0.19 -1.45 -0.14 0.00 0.56 0.00 0.00 36.38 35.15 2rjr s VAL 179 CO 0.21 0.33 1.48 -0.62 -0.31 0.00 0.00 175.10 176.19 2rjr n GLU 180 N 2.14 1.89 0.07 4.82 1.02 -1.26 -0.20 120.64 129.12 2rjr n GLU 180 Ca -0.16 0.68 0.03 0.00 -0.02 0.00 0.00 57.16 57.69 2rjr n GLU 180 Cb 0.53 -2.39 0.42 0.00 -0.02 0.00 0.00 31.44 29.98 2rjr n GLU 180 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 2rjr h THR 181 N 3.40 1.13 -0.16 2.62 2.02 -1.74 -2.97 112.91 117.21 2rjr h THR 181 Ca -0.45 -0.47 0.05 0.00 0.77 0.00 0.00 66.41 66.30 2rjr h THR 181 Cb 1.28 0.88 -0.05 0.00 -1.74 0.00 0.00 68.15 68.52 2rjr h THR 181 CO 0.83 0.17 -0.17 0.00 0.37 0.00 0.00 175.52 176.71 2rjr h ALA 182 N 1.70 -0.08 0.00 6.16 0.00 -1.84 -0.13 119.26 125.07 2rjr h ALA 182 Ca 0.09 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 2rjr h ALA 182 Cb 0.16 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2rjr h ALA 182 CO -0.00 -0.62 -0.60 -0.56 0.00 0.00 0.00 179.25 177.47 2rjr h GLN 183 N -0.21 0.00 -0.53 0.00 3.07 -1.90 -2.32 115.11 113.22 2rjr h GLN 183 Ca 0.11 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.75 2rjr h GLN 183 Cb 0.36 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.90 2rjr h GLN 183 CO -0.28 0.60 -0.04 0.28 0.09 0.00 0.00 178.83 179.47 2rjr h VAL 184 N 0.00 1.27 -0.26 1.86 2.07 -1.32 1.00 116.25 120.86 2rjr h VAL 184 Ca -0.01 -1.17 -0.14 0.00 0.82 0.00 0.00 66.70 66.21 2rjr h VAL 184 Cb 1.32 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 2rjr h VAL 184 CO 0.08 0.41 -0.41 -0.07 0.02 0.00 0.00 177.57 177.61 2rjr h LEU 185 N 0.84 0.67 -0.30 2.57 3.38 -1.00 -2.73 115.31 118.75 2rjr h LEU 185 Ca 0.15 -0.30 -0.17 0.00 0.09 0.00 0.00 57.88 57.64 2rjr h LEU 185 Cb 0.59 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2rjr h LEU 185 CO 0.04 1.00 -0.49 0.00 0.09 0.00 0.00 178.44 179.07 2rjr h ALA 186 N 1.04 0.46 0.00 1.53 0.00 -1.14 -0.39 119.26 120.76 2rjr h ALA 186 Ca 0.04 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2rjr h ALA 186 Cb 0.93 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2rjr h ALA 186 CO 0.08 0.64 0.00 -1.91 0.00 0.00 0.00 179.25 178.06 2rjr n GLU 187 N -4.06 0.01 -2.02 0.00 2.13 0.34 -2.58 120.64 114.48 2rjr n GLU 187 Ca -0.04 0.18 -0.01 0.00 0.66 0.00 0.00 57.16 57.95 2rjr n GLU 187 Cb 0.60 -1.50 0.03 0.00 0.27 0.00 0.00 31.44 30.84 2rjr n GLU 187 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 2rjr n ARG 188 N -1.19 0.79 -2.83 5.31 1.85 -1.04 -5.03 116.66 114.52 2rjr n ARG 188 Ca 0.00 -1.93 -0.18 0.00 -1.00 0.00 0.00 57.85 54.74 2rjr n ARG 188 Cb 0.00 -0.17 0.00 0.00 -1.05 0.00 0.00 32.46 31.25 2rjr n ARG 188 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2rjr n GLY 189 N -0.43 -0.50 3.41 2.89 0.00 -1.04 -4.98 105.19 104.53 2rjr n GLY 189 Ca -0.08 0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 2rjr n GLY 189 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rjr s ILE 190 N -2.86 3.59 -0.25 -0.61 1.01 -0.18 -5.04 121.20 116.86 2rjr s ILE 190 Ca 0.18 -0.45 -0.19 0.00 0.00 0.00 0.00 60.65 60.19 2rjr s ILE 190 Cb -0.09 -2.59 -0.02 0.00 0.01 0.00 0.00 42.46 39.77 2rjr s ILE 190 CO 0.22 0.47 0.57 -1.61 0.00 0.00 0.00 174.94 174.59 2rjr s GLU 191 N 0.80 4.11 0.95 2.79 2.02 -1.26 -4.37 118.70 123.74 2rjr s GLU 191 Ca -0.02 0.45 -0.13 0.00 0.02 0.00 0.00 54.97 55.29 2rjr s GLU 191 Cb -0.15 -3.64 0.03 0.00 0.10 0.00 0.00 34.13 30.48 2rjr s GLU 191 CO 0.02 -0.35 0.36 -0.35 0.02 0.00 0.00 175.26 174.96 2rjr n PRO 192 N 5.49 -0.27 -3.14 0.39 -0.04 -1.26 -5.00 135.00 131.16 2rjr n PRO 192 Ca -0.02 -0.04 -0.21 0.00 -0.04 0.00 0.00 63.50 63.19 2rjr n PRO 192 Cb 0.49 -1.82 0.01 0.00 -0.04 0.00 0.00 33.50 32.14 2rjr n PRO 192 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2rjr s LEU 193 N -0.68 3.74 -0.19 1.53 1.43 -0.46 -4.97 118.68 119.09 2rjr s LEU 193 Ca 0.56 0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 53.70 2rjr s LEU 193 Cb -0.21 -2.95 0.01 0.00 0.03 0.00 0.00 46.19 43.06 2rjr s LEU 193 CO 0.68 -0.64 -0.14 -0.70 0.23 0.00 0.00 176.35 175.78 2rjr s GLU 194 N -4.42 3.15 -0.04 1.70 2.12 -1.26 -4.39 118.70 115.57 2rjr s GLU 194 Ca 0.48 -0.75 -0.30 0.00 0.36 0.00 0.00 54.97 54.76 2rjr s GLU 194 Cb -0.10 -2.71 -0.04 0.00 0.26 0.00 0.00 34.13 31.54 2rjr s GLU 194 CO 0.35 -0.15 1.30 -0.51 -0.54 0.00 0.00 175.26 175.71 2rjr s LEU 195 N 1.23 4.29 0.00 2.70 1.43 -1.26 -5.03 118.68 122.04 2rjr s LEU 195 Ca 0.03 1.94 0.04 0.00 -1.03 0.00 0.00 54.13 55.11 2rjr s LEU 195 Cb -0.14 -3.56 0.04 0.00 0.03 0.00 0.00 46.19 42.56 2rjr s LEU 195 CO -0.07 -0.67 0.33 0.54 0.23 0.00 0.00 176.35 176.71 2rjr n ARG 196 N 5.46 0.92 -0.83 1.70 1.74 -1.26 -4.24 116.66 120.14 2rjr n ARG 196 Ca 0.12 -2.03 -0.32 0.00 -0.77 0.00 0.00 57.85 54.85 2rjr n ARG 196 Cb 0.45 0.10 -0.05 0.00 -1.02 0.00 0.00 32.46 31.94 2rjr n ARG 196 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2rjr n PHE 197 N -1.45 0.60 0.00 -1.55 3.72 -1.26 -0.97 117.46 116.54 2rjr n PHE 197 Ca 0.03 0.57 0.00 0.00 -0.05 0.00 0.00 57.45 57.99 2rjr n PHE 197 Cb 0.38 -1.11 0.00 0.00 -0.94 0.00 0.00 39.48 37.81 2rjr n PHE 197 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2rjr n LYS 198 N 1.37 0.00 -0.27 -1.08 4.81 -1.26 -4.80 118.16 116.93 2rjr n LYS 198 Ca 0.13 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.50 2rjr n LYS 198 Cb 0.01 -3.81 0.05 0.00 0.02 0.00 0.00 35.03 31.30 2rjr n LYS 198 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2rjr h GLU 199 N 0.11 1.15 -0.25 1.64 5.08 -1.39 -0.28 114.58 120.64 2rjr h GLU 199 Ca 0.00 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 2rjr h GLU 199 Cb 0.00 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 2rjr h GLU 199 CO 0.00 0.98 0.09 0.78 -1.00 0.00 0.00 179.01 179.86 2rjr h GLY 200 N 1.10 0.41 0.93 -3.84 0.00 -1.83 -2.43 103.07 97.40 2rjr h GLY 200 Ca 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2rjr h GLY 200 CO -0.01 0.22 0.14 -2.00 0.00 0.00 0.00 176.54 174.89 2rjr h LEU 201 N 0.24 0.42 -1.71 3.11 5.85 -1.83 -2.88 115.31 118.51 2rjr h LEU 201 Ca 0.08 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.65 2rjr h LEU 201 Cb 0.22 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2rjr h LEU 201 CO -0.00 0.45 0.17 0.00 -0.34 0.00 0.00 178.44 178.72 2rjr h ALA 202 N 0.98 1.79 -0.01 1.25 0.00 -1.01 0.23 119.26 122.50 2rjr h ALA 202 Ca 0.10 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 2rjr h ALA 202 Cb 0.15 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2rjr h ALA 202 CO -0.01 0.19 -0.57 -0.07 0.00 0.00 0.00 179.25 178.79 2rjr h LEU 203 N 0.38 0.03 0.00 0.00 3.38 -1.22 -3.34 115.31 114.53 2rjr h LEU 203 Ca 0.10 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2rjr h LEU 203 Cb -0.03 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2rjr h LEU 203 CO -0.02 0.59 -0.70 2.30 0.09 0.00 0.00 178.44 180.69 2rjr n ILE 204 N -3.87 0.00 -2.83 1.22 -5.35 -0.93 -4.83 119.36 102.77 2rjr n ILE 204 Ca -0.01 -0.26 -0.44 0.00 -0.27 0.00 0.00 62.75 61.77 2rjr n ILE 204 Cb 0.57 0.82 0.00 0.00 -1.74 0.00 0.00 39.64 39.29 2rjr n ILE 204 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2rjr n ASN 205 N -1.38 5.36 -1.07 7.28 5.15 0.77 -3.92 115.26 127.44 2rjr n ASN 205 Ca 0.01 -3.07 -0.00 0.00 -0.60 0.00 0.00 54.58 50.92 2rjr n ASN 205 Cb 0.18 -1.48 0.00 0.00 -0.53 0.00 0.00 39.78 37.94 2rjr n ASN 205 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2rjr n GLY 206 N 3.20 1.05 1.27 8.20 0.00 -1.26 -3.62 105.19 114.03 2rjr n GLY 206 Ca 0.35 -0.90 0.08 0.00 0.00 0.00 0.00 46.02 45.55 2rjr n GLY 206 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2rjr n THR 207 N -0.02 2.48 0.28 2.61 -2.24 -1.26 -1.69 114.28 114.43 2rjr n THR 207 Ca 0.00 -1.73 0.16 0.00 -2.27 0.00 0.00 64.05 60.21 2rjr n THR 207 Cb 0.02 -0.27 0.90 0.00 -2.10 0.00 0.00 70.33 68.88 2rjr n THR 207 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2rjr h SER 208 N 2.56 0.00 0.35 3.42 0.02 -1.90 0.32 113.55 118.32 2rjr h SER 208 Ca 0.01 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 2rjr h SER 208 Cb 1.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.20 2rjr h SER 208 CO 0.33 0.00 -0.17 1.23 -1.14 0.00 0.00 176.83 177.08 2rjr h GLY 209 N 0.00 -0.49 1.74 -3.77 0.00 -1.86 0.43 103.07 99.12 2rjr h GLY 209 Ca 0.02 0.18 -0.12 0.00 0.00 0.00 0.00 47.33 47.42 2rjr h GLY 209 CO -0.00 -0.18 -0.44 0.00 0.00 0.00 0.00 176.54 175.92 2rjr h MET 210 N -0.88 0.29 -0.01 4.80 -0.00 -1.82 -2.10 114.93 115.21 2rjr h MET 210 Ca -0.05 -0.15 -0.22 0.00 -0.00 0.00 0.00 59.70 59.28 2rjr h MET 210 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.14 2rjr h MET 210 CO 0.08 0.68 -0.93 1.15 -0.00 0.00 0.00 176.91 177.89 2rjr h THR 211 N 0.24 1.39 0.13 -0.10 2.02 -1.00 0.13 112.91 115.73 2rjr h THR 211 Ca 0.02 -2.41 -0.01 0.00 0.77 0.00 0.00 66.41 64.78 2rjr h THR 211 Cb 0.87 2.39 0.00 0.00 -1.74 0.00 0.00 68.15 69.67 2rjr h THR 211 CO 0.07 0.72 -0.06 1.23 0.37 0.00 0.00 175.52 177.85 2rjr h GLY 212 N 1.19 -0.19 1.04 2.16 0.00 -0.83 -1.91 103.07 104.53 2rjr h GLY 212 Ca -0.08 0.07 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 2rjr h GLY 212 CO 0.16 -0.07 0.17 -2.00 0.00 0.00 0.00 176.54 174.80 2rjr h LEU 213 N -0.58 0.98 -1.22 3.11 5.85 -1.45 -2.83 115.31 119.17 2rjr h LEU 213 Ca -0.02 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.48 2rjr h LEU 213 Cb 0.45 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 2rjr h LEU 213 CO 0.03 0.96 0.53 1.23 -0.34 0.00 0.00 178.44 180.84 2rjr h GLY 214 N 0.96 1.12 0.99 3.75 0.00 -0.74 -0.63 103.07 108.52 2rjr h GLY 214 Ca 0.21 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.12 2rjr h GLY 214 CO 0.00 0.40 0.19 1.76 0.00 0.00 0.00 176.54 178.89 2rjr h SER 215 N 1.06 0.35 -0.14 0.19 0.02 -1.09 0.18 113.55 114.12 2rjr h SER 215 Ca 0.30 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2rjr h SER 215 Cb -0.10 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 2rjr h SER 215 CO -0.07 0.28 0.08 -0.07 -1.14 0.00 0.00 176.83 175.91 2rjr h LEU 216 N 0.39 0.17 0.03 5.07 3.38 -1.28 -0.40 115.31 122.67 2rjr h LEU 216 Ca 0.11 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2rjr h LEU 216 Cb -0.01 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2rjr h LEU 216 CO -0.02 0.18 -0.01 0.58 0.09 0.00 0.00 178.44 179.25 2rjr h VAL 217 N 0.14 1.02 -0.67 1.22 2.07 -0.84 -0.90 116.25 118.29 2rjr h VAL 217 Ca 0.05 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 2rjr h VAL 217 Cb 0.04 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 2rjr h VAL 217 CO -0.01 0.04 0.23 0.58 0.02 0.00 0.00 177.57 178.43 2rjr h VAL 218 N -0.10 1.25 -0.61 2.57 2.07 -0.62 0.44 116.25 121.26 2rjr h VAL 218 Ca -0.00 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 2rjr h VAL 218 Cb 0.09 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 2rjr h VAL 218 CO 0.01 0.32 0.33 1.23 0.02 0.00 0.00 177.57 179.48 2rjr h GLY 219 N 0.96 0.91 2.00 2.17 0.00 -0.96 -1.91 103.07 106.24 2rjr h GLY 219 Ca 0.22 -0.42 -0.12 0.00 0.00 0.00 0.00 47.33 47.01 2rjr h GLY 219 CO -0.01 0.40 -0.56 3.21 0.00 0.00 0.00 176.54 179.57 2rjr h ARG 220 N 0.82 0.00 -0.54 4.80 3.08 -0.82 -3.06 114.38 118.66 2rjr h ARG 220 Ca 0.21 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.18 2rjr h ARG 220 Cb 0.05 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 2rjr h ARG 220 CO -0.03 0.56 0.02 0.00 -1.07 0.00 0.00 179.97 179.45 2rjr h ALA 221 N 1.44 1.01 -0.47 0.04 0.00 0.42 0.03 119.26 121.73 2rjr h ALA 221 Ca -0.01 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 2rjr h ALA 221 Cb 1.06 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2rjr h ALA 221 CO 0.07 0.61 -0.07 -0.07 0.00 0.00 0.00 179.25 179.79 2rjr h LEU 222 N 0.84 0.82 -1.10 0.00 3.38 -1.27 -1.00 115.31 116.98 2rjr h LEU 222 Ca 0.16 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 2rjr h LEU 222 Cb 0.47 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2rjr h LEU 222 CO 0.02 0.93 -0.40 -0.33 0.09 0.00 0.00 178.44 178.75 2rjr h GLU 223 N 0.76 0.10 -0.22 1.13 5.08 -1.35 -2.23 114.58 117.85 2rjr h GLU 223 Ca 0.13 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.29 2rjr h GLU 223 Cb 0.56 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2rjr h GLU 223 CO 0.03 0.48 -0.51 0.37 -1.00 0.00 0.00 179.01 178.39 2rjr h GLN 224 N 0.08 0.61 -0.63 2.33 4.15 -0.26 0.11 115.11 121.51 2rjr h GLN 224 Ca 0.01 -0.37 -0.04 0.00 0.77 0.00 0.00 58.65 59.02 2rjr h GLN 224 Cb 0.75 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.44 2rjr h GLN 224 CO 0.06 0.97 0.25 0.00 -1.93 0.00 0.00 178.83 178.18 2rjr h ALA 225 N 0.96 0.81 -0.46 3.38 0.00 -0.89 0.13 119.26 123.19 2rjr h ALA 225 Ca 0.02 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 2rjr h ALA 225 Cb 1.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2rjr h ALA 225 CO 0.10 0.43 0.03 1.96 0.00 0.00 0.00 179.25 181.77 2rjr h GLN 226 N 0.88 0.80 0.00 0.00 4.20 -1.21 -0.52 115.11 119.26 2rjr h GLN 226 Ca 0.21 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 2rjr h GLN 226 Cb 0.21 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 2rjr h GLN 226 CO -0.02 0.84 -0.01 1.96 -0.67 0.00 0.00 178.83 180.94 2rjr h GLN 227 N 0.66 0.00 0.02 1.46 4.20 -0.62 0.04 115.11 120.86 2rjr h GLN 227 Ca 0.13 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.66 2rjr h GLN 227 Cb 0.46 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.26 2rjr h GLN 227 CO 0.02 0.01 -0.74 0.00 -0.67 0.00 0.00 178.83 177.45 2rjr h ALA 228 N 1.99 0.07 -0.60 3.87 0.00 -0.24 -2.84 119.26 121.52 2rjr h ALA 228 Ca -0.00 -0.61 -0.04 0.00 0.00 0.00 0.00 54.91 54.26 2rjr h ALA 228 Cb 0.56 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2rjr h ALA 228 CO 0.00 0.43 0.21 0.93 0.00 0.00 0.00 179.25 180.83 2rjr h GLU 229 N -0.01 0.88 -0.10 0.00 5.08 -0.60 -0.94 114.58 118.89 2rjr h GLU 229 Ca -0.10 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 2rjr h GLU 229 Cb 1.45 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 2rjr h GLU 229 CO 0.14 0.74 0.04 0.82 -1.00 0.00 0.00 179.01 179.75 2rjr h ILE 230 N 0.86 1.14 -0.03 3.13 2.04 -0.99 -0.63 117.51 123.04 2rjr h ILE 230 Ca 0.20 -0.43 -0.15 0.00 1.00 0.00 0.00 64.86 65.49 2rjr h ILE 230 Cb 0.21 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 2rjr h ILE 230 CO -0.01 0.13 -0.66 1.62 0.00 0.00 0.00 178.15 179.22 2rjr h VAL 231 N 0.00 1.44 -0.65 1.67 3.04 -1.41 -2.68 116.25 117.67 2rjr h VAL 231 Ca 0.03 -2.18 -0.03 0.00 -1.01 0.00 0.00 66.70 63.52 2rjr h VAL 231 Cb 0.16 2.15 -0.03 0.00 -2.01 0.00 0.00 31.29 31.57 2rjr h VAL 231 CO -0.00 0.63 0.30 0.74 -1.01 0.00 0.00 177.57 178.23 2rjr h THR 232 N 0.09 1.23 -0.52 3.17 2.02 -1.01 -0.01 112.91 117.88 2rjr h THR 232 Ca -0.01 -0.66 -0.03 0.00 0.77 0.00 0.00 66.41 66.48 2rjr h THR 232 Cb 1.18 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 2rjr h THR 232 CO 0.10 0.27 0.20 0.00 0.37 0.00 0.00 175.52 176.46 2rjr h ALA 233 N 1.13 0.68 -0.48 6.16 0.00 -0.99 -0.12 119.26 125.64 2rjr h ALA 233 Ca 0.22 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2rjr h ALA 233 Cb 0.14 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2rjr h ALA 233 CO -0.03 0.29 0.30 1.25 0.00 0.00 0.00 179.25 181.07 2rjr h LEU 234 N 0.70 0.51 -0.53 0.00 5.85 -1.12 -1.60 115.31 119.12 2rjr h LEU 234 Ca 0.17 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 2rjr h LEU 234 Cb 0.21 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 2rjr h LEU 234 CO -0.01 0.36 0.22 0.25 -0.34 0.00 0.00 178.44 178.92 2rjr h LEU 235 N 0.61 0.73 -1.16 2.25 6.46 -0.69 0.35 115.31 123.87 2rjr h LEU 235 Ca 0.18 -0.17 -0.01 0.00 -0.12 0.00 0.00 57.88 57.77 2rjr h LEU 235 Cb -0.03 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 39.68 2rjr h LEU 235 CO -0.06 0.70 0.40 0.40 -0.62 0.00 0.00 178.44 179.26 2rjr h ILE 236 N 0.72 1.21 -0.19 4.05 2.04 -0.69 -0.91 117.51 123.74 2rjr h ILE 236 Ca 0.18 -0.51 -0.11 0.00 1.00 0.00 0.00 64.86 65.42 2rjr h ILE 236 Cb 0.19 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.51 2rjr h ILE 236 CO -0.02 0.23 -0.30 -0.33 0.00 0.00 0.00 178.15 177.73 2rjr h GLU 237 N 0.99 0.54 -0.33 2.37 5.08 -0.95 0.34 114.58 122.63 2rjr h GLU 237 Ca 0.25 -0.33 0.04 0.00 -1.00 0.00 0.00 59.36 58.33 2rjr h GLU 237 Cb 0.01 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2rjr h GLU 237 CO -0.04 0.93 0.22 0.00 -1.00 0.00 0.00 179.01 179.12 2rjr h ALA 238 N 0.61 1.96 -0.61 3.43 0.00 -0.38 -1.29 119.26 122.97 2rjr h ALA 238 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2rjr h ALA 238 Cb 0.88 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2rjr h ALA 238 CO 0.07 -0.01 0.00 1.55 0.00 0.00 0.00 179.25 180.86 2rjr n VAL 239 N -4.49 1.18 -3.58 0.00 3.14 -0.40 -4.95 118.33 109.24 2rjr n VAL 239 Ca 0.03 -1.06 -0.19 0.00 -2.96 0.00 0.00 64.34 60.16 2rjr n VAL 239 Cb 0.20 0.42 0.06 0.00 -1.06 0.00 0.00 33.84 33.45 2rjr n VAL 239 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2rjr n ARG 240 N 1.21 -5.62 -1.59 1.45 5.12 -0.49 -4.72 116.66 112.03 2rjr n ARG 240 Ca 0.21 0.72 -0.29 0.00 -1.93 0.00 0.00 57.85 56.56 2rjr n ARG 240 Cb 0.63 -5.48 0.12 0.00 -1.16 0.00 0.00 32.46 26.56 2rjr n ARG 240 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2rjr s GLY 241 N -4.35 1.59 0.33 -0.13 0.00 0.11 -4.47 107.32 100.40 2rjr s GLY 241 Ca 0.01 -0.46 -0.17 0.00 0.00 0.00 0.00 44.72 44.10 2rjr s GLY 241 CO 0.78 0.06 0.78 -0.45 0.00 0.00 0.00 173.10 174.27 2rjr s SER 242 N -4.07 6.87 0.00 1.64 0.15 -1.26 -1.82 113.70 115.21 2rjr s SER 242 Ca 0.63 1.40 0.24 0.00 0.70 0.00 0.00 55.95 58.92 2rjr s SER 242 Cb -0.14 -2.42 0.39 0.00 -1.71 0.00 0.00 66.02 62.14 2rjr s SER 242 CO 0.53 -0.20 1.33 0.35 1.20 0.00 0.00 173.24 176.46 2rjr n THR 243 N -0.23 0.00 -0.24 6.45 -2.24 -0.69 -4.43 114.28 112.90 2rjr n THR 243 Ca 0.03 -0.03 0.05 0.00 -2.27 0.00 0.00 64.05 61.83 2rjr n THR 243 Cb 0.53 0.45 0.17 0.00 -2.10 0.00 0.00 70.33 69.38 2rjr n THR 243 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2rjr h SER 244 N 0.29 0.00 -0.10 3.42 0.87 -1.94 -2.27 113.55 113.82 2rjr h SER 244 Ca 0.00 0.14 0.03 0.00 -1.23 0.00 0.00 61.79 60.73 2rjr h SER 244 Cb 0.51 0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.66 2rjr h SER 244 CO 0.00 -0.04 0.19 -0.65 -0.53 0.00 0.00 176.83 175.81 2rjr h PRO 245 N 0.26 0.00 -0.02 2.24 0.11 -1.88 -2.69 132.00 130.02 2rjr h PRO 245 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 2rjr h PRO 245 Cb 0.68 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.79 2rjr h PRO 245 CO -0.50 0.00 -0.23 1.19 -0.21 0.00 0.00 178.00 178.25 2rjr n PHE 246 N -3.43 0.00 -1.65 0.65 3.72 -0.85 -4.90 117.46 111.00 2rjr n PHE 246 Ca -0.00 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 56.94 2rjr n PHE 246 Cb 0.29 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.79 2rjr n PHE 246 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2rjr n LEU 247 N 0.69 2.82 -0.18 4.37 4.77 -1.02 -4.73 117.00 123.72 2rjr n LEU 247 Ca 0.12 1.12 -0.01 0.00 -0.03 0.00 0.00 56.01 57.21 2rjr n LEU 247 Cb 0.53 -1.39 0.09 0.00 -2.33 0.00 0.00 43.42 40.32 2rjr n LEU 247 CO 0.21 -0.55 0.89 0.00 -1.33 0.00 0.00 177.39 176.61 2rjr h ALA 248 N 4.75 0.61 -1.01 -1.18 0.00 -1.94 -1.63 119.26 118.86 2rjr h ALA 248 Ca -0.45 0.14 0.25 0.00 0.00 0.00 0.00 54.91 54.84 2rjr h ALA 248 Cb 1.28 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 19.19 2rjr h ALA 248 CO 0.80 -0.34 0.65 1.05 0.00 0.00 0.00 179.25 181.41 2rjr h GLU 249 N 0.20 0.39 0.00 0.00 9.09 -1.96 0.50 114.58 122.81 2rjr h GLU 249 Ca 0.29 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.67 2rjr h GLU 249 Cb 0.42 -0.09 0.00 0.00 -1.65 0.00 0.00 28.75 27.43 2rjr h GLU 249 CO -0.40 0.26 0.00 0.78 0.05 0.00 0.00 179.01 179.70 2rjr h GLY 250 N 0.41 0.00 0.00 1.06 0.00 -1.65 -0.91 103.07 101.98 2rjr h GLY 250 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.89 2rjr h GLY 250 CO -0.26 0.00 -0.04 1.42 0.00 0.00 0.00 176.54 177.66 2rjr n HIS 251 N -3.07 0.00 -0.32 5.60 8.25 0.15 -3.11 115.22 122.73 2rjr n HIS 251 Ca -0.00 0.00 0.28 0.00 -0.26 0.00 0.00 57.72 57.74 2rjr n HIS 251 Cb 0.23 -0.02 0.61 0.00 1.12 0.00 0.00 29.99 31.93 2rjr n HIS 251 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 2rjr h ASP 252 N -0.04 0.26 0.00 0.41 5.19 -0.99 -2.03 116.42 119.22 2rjr h ASP 252 Ca 0.00 0.05 -0.05 0.00 -0.62 0.00 0.00 57.03 56.41 2rjr h ASP 252 Cb 0.04 0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.55 2rjr h ASP 252 CO 0.00 0.04 -1.00 -0.38 -3.12 0.00 0.00 179.24 174.78 2rjr n ILE 253 N -4.46 1.42 -0.05 0.35 5.41 -1.10 -4.61 119.36 116.32 2rjr n ILE 253 Ca 0.26 0.12 -0.11 0.00 1.00 0.00 0.00 62.75 64.02 2rjr n ILE 253 Cb 1.03 -2.15 0.03 0.00 -0.71 0.00 0.00 39.64 37.84 2rjr n ILE 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2rjr h ALA 254 N -0.81 0.65 -1.93 -1.39 0.00 -1.21 -3.40 119.26 111.17 2rjr h ALA 254 Ca -0.08 -0.48 -0.50 0.00 0.00 0.00 0.00 54.91 53.86 2rjr h ALA 254 Cb 0.90 -0.10 -0.34 0.00 0.00 0.00 0.00 17.79 18.26 2rjr h ALA 254 CO -0.05 0.67 -0.91 -2.13 0.00 0.00 0.00 179.25 176.84 2rjr n ARG 255 N -4.01 0.40 0.00 0.00 0.63 -0.82 -4.97 116.66 107.89 2rjr n ARG 255 Ca -0.03 -2.93 0.00 0.00 -0.92 0.00 0.00 57.85 53.98 2rjr n ARG 255 Cb 0.57 -1.52 0.00 0.00 0.45 0.00 0.00 32.46 31.96 2rjr n ARG 255 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 2rjr n PRO 256 N 2.43 0.00 -2.38 -0.14 -0.02 -0.85 -4.65 135.00 129.38 2rjr n PRO 256 Ca 0.25 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.31 2rjr n PRO 256 Cb 0.51 -1.25 -0.03 0.00 -0.02 0.00 0.00 33.50 32.72 2rjr n PRO 256 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2rjr s HIS 257 N 0.76 3.36 0.14 6.00 3.76 -1.26 -4.93 115.29 123.12 2rjr s HIS 257 Ca 0.00 1.23 -0.23 0.00 -0.15 0.00 0.00 55.06 55.90 2rjr s HIS 257 Cb 0.00 -3.46 0.01 0.00 1.11 0.00 0.00 32.58 30.24 2rjr s HIS 257 CO 0.00 -1.47 1.63 1.49 -0.85 0.00 0.00 174.74 175.54 2rjr h GLU 258 N 6.91 -0.27 -0.71 1.40 4.81 -1.93 -0.53 114.58 124.25 2rjr h GLU 258 Ca -0.41 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 58.88 2rjr h GLU 258 Cb 1.21 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.60 2rjr h GLU 258 CO 0.83 -0.18 0.44 0.78 -0.73 0.00 0.00 179.01 180.14 2rjr h GLY 259 N -0.28 1.04 0.99 1.92 0.00 -1.92 -0.55 103.07 104.27 2rjr h GLY 259 Ca 0.12 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 2rjr h GLY 259 CO -0.36 0.25 0.29 -1.61 0.00 0.00 0.00 176.54 175.12 2rjr h GLN 260 N 0.84 0.67 -0.73 4.80 4.15 -1.55 -0.37 115.11 122.91 2rjr h GLN 260 Ca 0.30 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.65 2rjr h GLN 260 Cb 0.07 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.59 2rjr h GLN 260 CO -0.13 0.49 0.47 0.82 -1.93 0.00 0.00 178.83 178.55 2rjr h ILE 261 N 0.65 1.20 -0.31 2.39 2.04 -0.59 -1.47 117.51 121.42 2rjr h ILE 261 Ca 0.17 -0.40 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 2rjr h ILE 261 Cb -0.00 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.22 2rjr h ILE 261 CO -0.03 0.20 0.03 0.44 0.00 0.00 0.00 178.15 178.79 2rjr h ASP 262 N 1.00 0.52 -0.24 1.72 3.32 -0.57 -1.36 116.42 120.81 2rjr h ASP 262 Ca 0.27 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 2rjr h ASP 262 Cb -0.08 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 2rjr h ASP 262 CO -0.05 0.67 0.10 0.74 -1.72 0.00 0.00 179.24 178.98 2rjr h THR 263 N 0.35 1.16 -0.33 0.35 2.02 -0.97 0.17 112.91 115.65 2rjr h THR 263 Ca 0.09 -0.48 0.04 0.00 0.77 0.00 0.00 66.41 66.84 2rjr h THR 263 Cb 0.39 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.79 2rjr h THR 263 CO 0.01 0.16 0.09 0.00 0.37 0.00 0.00 175.52 176.15 2rjr h ALA 264 N 0.95 0.36 -0.45 6.16 0.00 -1.23 0.30 119.26 125.36 2rjr h ALA 264 Ca 0.08 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.07 2rjr h ALA 264 Cb 0.16 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2rjr h ALA 264 CO -0.01 -0.31 0.23 0.00 0.00 0.00 0.00 179.25 179.16 2rjr h ALA 265 N 1.23 0.56 -0.74 0.00 0.00 -1.03 -0.77 119.26 118.52 2rjr h ALA 265 Ca 0.15 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2rjr h ALA 265 Cb 0.15 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2rjr h ALA 265 CO -0.18 -0.11 0.37 -0.91 0.00 0.00 0.00 179.25 178.42 2rjr h ASN 266 N 0.47 0.95 -0.56 0.00 2.35 -0.14 -1.84 115.58 116.81 2rjr h ASN 266 Ca 0.19 -0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 2rjr h ASN 266 Cb 0.08 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 2rjr h ASN 266 CO -0.12 0.80 0.18 0.24 -1.65 0.00 0.00 177.43 176.88 2rjr h MET 267 N 1.03 0.86 -0.71 0.81 2.86 0.12 -0.07 114.93 119.83 2rjr h MET 267 Ca 0.25 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 2rjr h MET 267 Cb 0.09 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 2rjr h MET 267 CO -0.03 0.78 0.40 0.00 1.06 0.00 0.00 176.91 179.12 2rjr h ARG 268 N 0.77 0.98 -0.39 1.72 3.08 -0.94 -2.27 114.38 117.33 2rjr h ARG 268 Ca 0.18 -0.10 -0.13 0.00 0.07 0.00 0.00 59.98 59.99 2rjr h ARG 268 Cb 0.27 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2rjr h ARG 268 CO -0.01 0.72 -0.29 0.00 -1.07 0.00 0.00 179.97 179.32 2rjr h ALA 269 N 1.21 0.74 -0.35 0.04 0.00 -1.02 -2.26 119.26 117.61 2rjr h ALA 269 Ca 0.25 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 2rjr h ALA 269 Cb 0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2rjr h ALA 269 CO -0.04 0.66 -0.15 -0.07 0.00 0.00 0.00 179.25 179.64 2rjr h LEU 270 N 0.72 0.63 -1.82 0.00 3.38 -0.80 -3.04 115.31 114.38 2rjr h LEU 270 Ca 0.08 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2rjr h LEU 270 Cb 0.84 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2rjr h LEU 270 CO 0.07 0.80 0.00 0.23 0.09 0.00 0.00 178.44 179.64 2rjr n MET 271 N -4.16 2.19 -1.86 1.13 2.81 -0.87 -4.33 117.12 112.03 2rjr n MET 271 Ca 0.01 -1.80 -0.42 0.00 -1.81 0.00 0.00 57.70 53.68 2rjr n MET 271 Cb 0.37 -1.46 -0.03 0.00 -0.71 0.00 0.00 33.22 31.39 2rjr n MET 271 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 2rjr s ARG 272 N -1.62 4.18 0.00 0.03 3.52 -0.86 -1.99 118.95 122.21 2rjr s ARG 272 Ca 0.36 2.46 0.00 0.00 -0.13 0.00 0.00 55.73 58.42 2rjr s ARG 272 Cb 0.20 -3.09 0.00 0.00 -1.56 0.00 0.00 34.95 30.50 2rjr s ARG 272 CO 0.29 -0.61 0.00 0.41 -0.81 0.00 0.00 175.30 174.58 2rjr n GLY 273 N 3.11 0.65 3.77 8.12 0.00 -1.26 -4.42 105.19 115.16 2rjr n GLY 273 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 2rjr n GLY 273 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rjr s SER 274 N -2.02 7.34 0.00 1.61 0.15 -0.84 -4.41 113.70 115.53 2rjr s SER 274 Ca 0.00 1.98 0.19 0.00 0.70 0.00 0.00 55.95 58.82 2rjr s SER 274 Cb 0.00 -2.60 0.15 0.00 -1.71 0.00 0.00 66.02 61.86 2rjr s SER 274 CO 0.00 -0.07 1.11 0.61 1.20 0.00 0.00 173.24 176.09 2rjr n GLY 275 N 0.93 0.51 0.11 9.45 0.00 0.20 -4.47 105.19 111.92 2rjr n GLY 275 Ca 0.01 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 2rjr n GLY 275 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2rjr n LEU 276 N 1.08 1.15 -4.73 0.99 4.77 -1.19 -4.98 117.00 114.09 2rjr n LEU 276 Ca 0.11 -0.05 -0.33 0.00 -0.03 0.00 0.00 56.01 55.71 2rjr n LEU 276 Cb 0.48 -0.05 0.09 0.00 -2.33 0.00 0.00 43.42 41.61 2rjr n LEU 276 CO 0.12 0.67 0.75 0.42 -1.33 0.00 0.00 177.39 178.02 2rjr s THR 277 N -2.50 2.65 -0.00 -5.08 -4.23 -1.26 -4.46 115.64 100.75 2rjr s THR 277 Ca -0.20 0.29 0.08 0.00 -1.18 0.00 0.00 61.69 60.68 2rjr s THR 277 Cb 0.07 -2.76 -0.02 0.00 1.34 0.00 0.00 72.50 71.13 2rjr s THR 277 CO 0.74 -0.20 -0.26 0.68 -0.54 0.00 0.00 174.62 175.05 2rjr s VAL 278 N -2.27 2.12 0.39 2.29 -7.23 -0.76 -4.98 120.40 109.96 2rjr s VAL 278 Ca 0.70 -1.17 -0.14 0.00 -1.81 0.00 0.00 61.98 59.56 2rjr s VAL 278 Cb -0.24 -1.76 -0.08 0.00 0.56 0.00 0.00 36.38 34.85 2rjr s VAL 278 CO 0.47 0.52 0.80 -1.61 -0.31 0.00 0.00 175.10 174.97 2rjr s GLU 279 N -0.79 3.93 0.17 4.82 0.41 -1.26 -1.70 118.70 124.27 2rjr s GLU 279 Ca 0.11 0.67 -0.14 0.00 -0.41 0.00 0.00 54.97 55.19 2rjr s GLU 279 Cb -0.10 -2.35 0.12 0.00 -1.78 0.00 0.00 34.13 30.02 2rjr s GLU 279 CO -0.00 0.01 1.75 1.25 -0.49 0.00 0.00 175.26 177.77 2rjr h HIS 280 N 1.65 0.25 -0.77 1.61 -0.00 -1.96 -2.08 115.15 113.84 2rjr h HIS 280 Ca -0.48 0.02 0.17 0.00 -0.00 0.00 0.00 60.37 60.08 2rjr h HIS 280 Cb 1.18 -0.05 -0.11 0.00 -0.00 0.00 0.00 27.41 28.44 2rjr h HIS 280 CO 0.62 0.08 0.24 0.00 -0.00 0.00 0.00 177.93 178.87 2rjr h ALA 281 N 1.29 1.06 -0.42 5.26 0.00 -1.99 0.19 119.26 124.65 2rjr h ALA 281 Ca 0.20 0.16 -0.15 0.00 0.00 0.00 0.00 54.91 55.12 2rjr h ALA 281 Cb 0.21 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2rjr h ALA 281 CO -0.22 -0.31 -0.33 -0.44 0.00 0.00 0.00 179.25 177.96 2rjr h ASP 282 N 0.33 1.01 -0.52 0.00 3.32 -1.82 -1.62 116.42 117.12 2rjr h ASP 282 Ca 0.44 -0.44 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 2rjr h ASP 282 Cb 0.75 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 2rjr h ASP 282 CO -0.49 1.24 0.21 -0.07 -1.72 0.00 0.00 179.24 178.40 2rjr h LEU 283 N 0.80 0.71 -0.42 1.55 3.38 -0.52 -0.03 115.31 120.78 2rjr h LEU 283 Ca 0.08 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.89 2rjr h LEU 283 Cb 0.92 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 2rjr h LEU 283 CO 0.09 0.69 0.26 -0.09 0.09 0.00 0.00 178.44 179.47 2rjr h ARG 284 N 0.69 0.51 -0.23 1.13 2.43 -0.58 -0.78 114.38 117.55 2rjr h ARG 284 Ca 0.17 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 2rjr h ARG 284 Cb 0.20 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 2rjr h ARG 284 CO -0.01 0.34 -0.05 0.00 -1.51 0.00 0.00 179.97 178.73 2rjr h ARG 285 N 0.53 0.44 -0.75 0.20 3.08 -1.15 -0.45 114.38 116.28 2rjr h ARG 285 Ca 0.16 -0.17 0.12 0.00 0.07 0.00 0.00 59.98 60.16 2rjr h ARG 285 Cb -0.02 -0.03 -0.08 0.00 0.08 0.00 0.00 29.97 29.92 2rjr h ARG 285 CO -0.06 0.67 0.35 1.49 -1.07 0.00 0.00 179.97 181.36 2rjr h GLU 286 N 0.18 0.54 -0.15 0.04 4.81 -0.79 0.15 114.58 119.37 2rjr h GLU 286 Ca 0.06 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 59.07 2rjr h GLU 286 Cb 0.50 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 2rjr h GLU 286 CO 0.02 0.36 -0.66 1.25 -0.73 0.00 0.00 179.01 179.25 2rjr h LEU 287 N 0.56 0.66 -0.32 1.64 5.85 -1.01 -2.60 115.31 120.10 2rjr h LEU 287 Ca 0.39 -0.40 0.01 0.00 0.84 0.00 0.00 57.88 58.72 2rjr h LEU 287 Cb 0.50 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 2rjr h LEU 287 CO -0.33 1.14 0.20 1.56 -0.34 0.00 0.00 178.44 180.68 2rjr h GLN 288 N 0.41 0.40 0.00 1.25 4.20 0.15 -1.65 115.11 119.87 2rjr h GLN 288 Ca -0.02 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2rjr h GLN 288 Cb 1.24 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.93 2rjr h GLN 288 CO 0.12 0.26 -0.04 0.87 -0.67 0.00 0.00 178.83 179.38 2rjr h LYS 289 N 0.41 0.00 0.00 1.46 1.57 -0.66 -2.50 116.57 116.86 2rjr h LYS 289 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2rjr h LYS 289 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2rjr h LYS 289 CO -0.04 0.04 -0.37 -3.47 -0.57 0.00 0.00 179.45 175.04 2rjr n ASP 290 N -4.16 0.71 -4.78 0.86 2.03 -0.66 -4.87 116.55 105.68 2rjr n ASP 290 Ca -0.03 0.29 -0.38 0.00 0.52 0.00 0.00 54.79 55.18 2rjr n ASP 290 Cb 0.12 -0.21 -0.06 0.00 -0.72 0.00 0.00 41.12 40.25 2rjr n ASP 290 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2rjr s LYS 291 N -3.13 4.23 0.35 -0.67 1.02 -0.94 -5.05 119.74 115.54 2rjr s LYS 291 Ca 0.08 0.65 -0.02 0.00 0.02 0.00 0.00 55.97 56.70 2rjr s LYS 291 Cb 0.13 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 34.09 2rjr s LYS 291 CO 0.67 0.46 0.58 -1.21 -0.92 0.00 0.00 175.35 174.93 2rjr s GLU 292 N -0.46 3.54 0.58 1.68 2.02 -1.26 -5.01 118.70 119.80 2rjr s GLU 292 Ca 0.29 -0.14 -0.07 0.00 0.02 0.00 0.00 54.97 55.07 2rjr s GLU 292 Cb -0.18 -2.62 -0.01 0.00 0.10 0.00 0.00 34.13 31.42 2rjr s GLU 292 CO 0.16 0.12 0.92 0.00 0.02 0.00 0.00 175.26 176.48 2rjr s ALA 293 N -2.30 3.23 0.00 5.21 0.00 -1.26 -4.48 121.76 122.17 2rjr s ALA 293 Ca 0.42 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.90 2rjr s ALA 293 Cb -0.10 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.27 2rjr s ALA 293 CO 0.35 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.81 2rjr n GLY 294 N -2.59 2.01 3.71 0.00 0.00 -1.26 -4.99 105.19 102.07 2rjr n GLY 294 Ca 0.04 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 2rjr n GLY 294 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rjr s LYS 295 N 0.00 4.25 0.00 1.61 -2.85 -1.26 -4.92 119.74 116.57 2rjr s LYS 295 Ca 0.00 2.24 0.29 0.00 -1.00 0.00 0.00 55.97 57.50 2rjr s LYS 295 Cb 0.00 -3.25 1.32 0.00 -2.06 0.00 0.00 37.83 33.84 2rjr s LYS 295 CO 0.00 -0.56 1.90 -0.40 0.10 0.00 0.00 175.35 176.39 2rjr n ASP 296 N 4.18 0.96 -3.43 0.03 5.68 -1.26 -4.71 116.55 118.00 2rjr n ASP 296 Ca 0.13 -1.27 -0.07 0.00 -0.50 0.00 0.00 54.79 53.08 2rjr n ASP 296 Cb 0.40 -0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.31 2rjr n ASP 296 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2rjr s VAL 297 N -2.05 -0.67 0.02 2.12 1.01 -1.26 -5.16 120.40 114.41 2rjr s VAL 297 Ca 0.40 0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.39 2rjr s VAL 297 Cb 0.21 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 2rjr s VAL 297 CO 0.36 -0.05 -0.03 0.00 0.00 0.00 0.00 175.10 175.39 2rjr s GLN 298 N 2.61 0.32 0.37 2.72 -2.07 -1.26 -5.16 119.66 117.18 2rjr s GLN 298 Ca 0.09 -0.61 -0.12 0.00 -1.82 0.00 0.00 55.36 52.89 2rjr s GLN 298 Cb -0.14 0.11 -0.08 0.00 -1.09 0.00 0.00 33.01 31.82 2rjr s GLN 298 CO -0.15 -0.05 0.75 1.03 -1.32 0.00 0.00 175.29 175.55 2rjr s ARG 299 N -1.50 3.87 0.05 9.60 0.52 -1.26 -5.09 118.95 125.14 2rjr s ARG 299 Ca -0.16 0.55 -0.08 0.00 -0.52 0.00 0.00 55.73 55.52 2rjr s ARG 299 Cb -0.10 -2.41 -0.00 0.00 0.52 0.00 0.00 34.95 32.96 2rjr s ARG 299 CO -0.01 0.05 0.17 0.45 0.02 0.00 0.00 175.30 175.98 2rjr s SER 300 N -2.77 0.08 0.00 0.23 0.15 -1.26 -5.04 113.70 105.10 2rjr s SER 300 Ca 0.52 -0.46 0.24 0.00 0.70 0.00 0.00 55.95 56.95 2rjr s SER 300 Cb -0.10 0.29 0.29 0.00 -1.71 0.00 0.00 66.02 64.78 2rjr s SER 300 CO 0.25 -0.58 1.26 -0.62 1.20 0.00 0.00 173.24 174.75 2rjr n GLU 301 N 0.55 0.50 -3.10 5.44 1.02 -1.26 -4.91 120.64 118.89 2rjr n GLU 301 Ca -0.18 -0.36 -0.39 0.00 -0.02 0.00 0.00 57.16 56.21 2rjr n GLU 301 Cb 0.59 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.47 2rjr n GLU 301 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2rjr s ILE 302 N -2.75 4.98 -0.38 -3.67 1.01 -1.26 -5.05 121.20 114.09 2rjr s ILE 302 Ca 0.16 1.38 -0.11 0.00 0.00 0.00 0.00 60.65 62.08 2rjr s ILE 302 Cb 0.18 -4.01 0.03 0.00 0.01 0.00 0.00 42.46 38.67 2rjr s ILE 302 CO 0.66 0.31 0.21 -0.31 0.00 0.00 0.00 174.94 175.81 2rjr s TYR 303 N 0.44 3.25 0.55 3.97 2.02 -1.26 -4.95 117.35 121.36 2rjr s TYR 303 Ca 0.35 -1.04 0.24 0.00 -0.37 0.00 0.00 57.07 56.25 2rjr s TYR 303 Cb -0.18 -2.47 1.58 0.00 -0.40 0.00 0.00 41.96 40.50 2rjr s TYR 303 CO 0.18 -0.67 2.20 1.25 -1.57 0.00 0.00 175.55 176.94 2rjr h LEU 304 N 8.42 0.00 -8.36 -1.29 5.85 -1.96 -3.42 115.31 114.55 2rjr h LEU 304 Ca -0.25 0.00 -0.39 0.00 0.84 0.00 0.00 57.88 58.08 2rjr h LEU 304 Cb 1.10 0.00 -0.22 0.00 0.37 0.00 0.00 40.66 41.91 2rjr h LEU 304 CO 0.67 0.01 -0.77 -1.10 -0.34 0.00 0.00 178.44 176.92 2rjr s GLN 305 N -4.76 0.77 0.50 1.25 -0.21 -1.26 -4.99 119.66 110.96 2rjr s GLN 305 Ca -0.05 -0.91 0.04 0.00 0.02 0.00 0.00 55.36 54.47 2rjr s GLN 305 Cb 0.16 -0.74 0.02 0.00 1.00 0.00 0.00 33.01 33.45 2rjr s GLN 305 CO 0.60 0.16 0.69 0.15 -2.12 0.00 0.00 175.29 174.77 2rjr s LYS 306 N -1.67 2.66 0.94 2.91 -0.14 -1.26 -5.08 119.74 118.10 2rjr s LYS 306 Ca -0.03 -0.98 -0.11 0.00 -1.36 0.00 0.00 55.97 53.50 2rjr s LYS 306 Cb -0.10 -2.60 0.16 0.00 -1.68 0.00 0.00 37.83 33.61 2rjr s LYS 306 CO 0.02 -0.53 1.12 0.00 -0.76 0.00 0.00 175.35 175.20 2rjr s ALA 307 N -2.59 1.26 0.26 5.17 0.00 -1.26 -4.75 121.76 119.85 2rjr s ALA 307 Ca 0.56 0.44 -0.01 0.00 0.00 0.00 0.00 51.96 52.95 2rjr s ALA 307 Cb -0.10 -3.40 0.56 0.00 0.00 0.00 0.00 23.12 20.17 2rjr s ALA 307 CO 0.36 -2.83 1.71 1.88 0.00 0.00 0.00 175.76 176.89 2rjr h TYR 308 N -1.91 0.54 0.00 0.00 -1.99 -1.98 -0.78 116.97 110.86 2rjr h TYR 308 Ca -0.46 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.31 2rjr h TYR 308 Cb 1.27 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 39.89 2rjr h TYR 308 CO 0.47 0.01 0.01 0.66 -0.00 0.00 0.00 178.16 179.32 2rjr h SER 309 N 0.42 0.00 -0.24 3.88 4.64 -1.93 0.45 113.55 120.77 2rjr h SER 309 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 2rjr h SER 309 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 2rjr h SER 309 CO -0.46 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 175.68 2rjr n LEU 310 N -2.32 3.39 0.00 5.97 4.77 -0.31 -4.78 117.00 123.72 2rjr n LEU 310 Ca -0.02 -2.73 0.00 0.00 -0.03 0.00 0.00 56.01 53.24 2rjr n LEU 310 Cb 0.05 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 2rjr n LEU 310 CO 0.10 0.68 0.00 -1.14 -1.33 0.00 0.00 177.39 175.71 2rjr n ARG 311 N -0.36 0.00 -1.58 3.23 0.63 -0.03 -4.83 116.66 113.72 2rjr n ARG 311 Ca 0.17 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.77 2rjr n ARG 311 Cb 0.72 -0.29 0.06 0.00 0.45 0.00 0.00 32.46 33.40 2rjr n ARG 311 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2rjr n ALA 312 N -1.56 6.12 -0.09 5.13 0.00 -0.18 -4.57 120.51 125.35 2rjr n ALA 312 Ca 0.00 -3.67 -0.09 0.00 0.00 0.00 0.00 53.44 49.68 2rjr n ALA 312 Cb 0.00 -1.53 -0.02 0.00 0.00 0.00 0.00 19.45 17.89 2rjr n ALA 312 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2rjr h ILE 313 N 1.41 1.15 -0.86 0.00 5.03 -1.87 -2.49 117.51 119.88 2rjr h ILE 313 Ca 0.55 -0.40 0.01 0.00 -0.12 0.00 0.00 64.86 64.90 2rjr h ILE 313 Cb 0.80 0.85 -0.04 0.00 -3.03 0.00 0.00 36.82 35.40 2rjr h ILE 313 CO 1.41 0.15 0.56 -0.65 -0.68 0.00 0.00 178.15 178.94 2rjr h PRO 314 N 0.36 1.15 -0.11 2.37 0.11 -1.88 -0.53 132.00 133.47 2rjr h PRO 314 Ca 0.11 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 66.12 2rjr h PRO 314 Cb 0.10 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 30.95 2rjr h PRO 314 CO -0.01 0.77 0.00 1.96 -0.21 0.00 0.00 178.00 180.50 2rjr h GLN 315 N 1.18 0.19 0.12 1.05 7.50 -1.88 -0.62 115.11 122.65 2rjr h GLN 315 Ca 0.32 -0.06 -0.01 0.00 0.50 0.00 0.00 58.65 59.40 2rjr h GLN 315 Cb -0.12 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 27.39 2rjr h GLN 315 CO -0.07 0.44 -0.06 0.28 -1.50 0.00 0.00 178.83 177.92 2rjr h VAL 316 N -0.08 0.97 -0.02 -0.54 2.07 -1.33 -2.38 116.25 114.94 2rjr h VAL 316 Ca 0.03 -1.25 -0.10 0.00 0.82 0.00 0.00 66.70 66.21 2rjr h VAL 316 Cb 0.35 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 2rjr h VAL 316 CO 0.01 0.26 -0.44 0.58 0.02 0.00 0.00 177.57 178.00 2rjr h VAL 317 N -0.84 1.32 -0.61 2.57 2.07 -1.24 -1.97 116.25 117.55 2rjr h VAL 317 Ca -0.02 -1.52 -0.06 0.00 0.82 0.00 0.00 66.70 65.92 2rjr h VAL 317 Cb 0.55 1.80 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 2rjr h VAL 317 CO 0.03 0.44 0.12 1.23 0.02 0.00 0.00 177.57 179.41 2rjr h GLY 318 N 1.31 1.05 1.28 2.17 0.00 -1.18 0.21 103.07 107.91 2rjr h GLY 318 Ca -0.00 -0.65 -0.11 0.00 0.00 0.00 0.00 47.33 46.57 2rjr h GLY 318 CO 0.06 0.60 -0.16 0.00 0.00 0.00 0.00 176.54 177.04 2rjr h ALA 319 N 1.21 0.89 -0.25 3.60 0.00 -0.99 0.06 119.26 123.78 2rjr h ALA 319 Ca 0.19 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2rjr h ALA 319 Cb 0.37 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2rjr h ALA 319 CO 0.00 0.63 0.08 0.28 0.00 0.00 0.00 179.25 180.25 2rjr h VAL 320 N 0.74 1.19 -0.50 0.00 2.07 -0.62 -2.32 116.25 116.81 2rjr h VAL 320 Ca 0.11 -0.59 0.05 0.00 0.82 0.00 0.00 66.70 67.09 2rjr h VAL 320 Cb 0.67 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 2rjr h VAL 320 CO 0.05 0.19 0.24 0.03 0.02 0.00 0.00 177.57 178.10 2rjr h ARG 321 N 0.23 0.45 -0.91 1.57 3.08 -0.24 -0.46 114.38 118.09 2rjr h ARG 321 Ca 0.08 -0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.18 2rjr h ARG 321 Cb 0.22 -0.10 -0.07 0.00 0.08 0.00 0.00 29.97 30.10 2rjr h ARG 321 CO -0.00 0.30 0.57 -0.44 -1.07 0.00 0.00 179.97 179.32 2rjr h ASP 322 N 0.46 0.88 -0.52 7.04 3.32 -0.79 0.32 116.42 127.13 2rjr h ASP 322 Ca 0.23 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.21 2rjr h ASP 322 Cb 0.17 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2rjr h ASP 322 CO -0.18 0.54 -0.02 0.74 -1.72 0.00 0.00 179.24 178.60 2rjr h THR 323 N 1.01 1.27 -0.36 0.35 2.02 -0.82 -2.00 112.91 114.38 2rjr h THR 323 Ca 0.41 -1.13 -0.11 0.00 0.77 0.00 0.00 66.41 66.35 2rjr h THR 323 Cb 0.24 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 2rjr h THR 323 CO -0.20 0.40 -0.24 -0.07 0.37 0.00 0.00 175.52 175.78 2rjr h LEU 324 N 0.81 0.73 -0.56 2.58 3.38 0.04 -1.53 115.31 120.76 2rjr h LEU 324 Ca 0.15 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 2rjr h LEU 324 Cb 0.56 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2rjr h LEU 324 CO 0.03 0.95 0.06 1.88 0.09 0.00 0.00 178.44 181.45 2rjr h TYR 325 N 0.63 1.02 -0.51 1.13 0.05 -0.30 -0.83 116.97 118.14 2rjr h TYR 325 Ca 0.08 -0.15 -0.03 0.00 0.05 0.00 0.00 58.73 58.68 2rjr h TYR 325 Cb 0.74 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 38.19 2rjr h TYR 325 CO 0.04 0.90 0.21 1.25 -1.05 0.00 0.00 178.16 179.51 2rjr h HIS 326 N 0.84 0.78 -0.53 4.88 2.76 -1.16 -1.17 115.15 121.53 2rjr h HIS 326 Ca 0.17 -0.06 -0.06 0.00 -2.20 0.00 0.00 60.37 58.22 2rjr h HIS 326 Cb 0.46 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 29.16 2rjr h HIS 326 CO 0.03 0.64 0.09 0.00 -1.30 0.00 0.00 177.93 177.40 2rjr h ALA 327 N 1.05 0.71 -0.69 5.26 0.00 -1.10 -1.33 119.26 123.16 2rjr h ALA 327 Ca 0.17 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2rjr h ALA 327 Cb 0.19 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2rjr h ALA 327 CO -0.01 0.45 0.26 -0.09 0.00 0.00 0.00 179.25 179.85 2rjr h ARG 328 N 0.77 1.03 -0.10 0.00 2.43 -0.99 0.32 114.38 117.84 2rjr h ARG 328 Ca 0.16 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2rjr h ARG 328 Cb 0.40 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2rjr h ARG 328 CO 0.01 0.85 0.06 1.25 -1.51 0.00 0.00 179.97 180.62 2rjr h HIS 329 N 1.00 0.13 -0.76 2.20 2.76 -0.92 0.15 115.15 119.71 2rjr h HIS 329 Ca 0.23 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.47 2rjr h HIS 329 Cb 0.21 -0.04 -0.06 0.00 1.55 0.00 0.00 27.41 29.07 2rjr h HIS 329 CO 0.02 0.15 0.44 0.87 -1.30 0.00 0.00 177.93 178.11 2rjr h LYS 330 N 0.08 0.76 -0.34 5.26 1.79 -0.90 -2.36 116.57 120.87 2rjr h LYS 330 Ca 0.04 -0.05 -0.17 0.00 -2.18 0.00 0.00 60.65 58.29 2rjr h LYS 330 Cb 0.06 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 30.53 2rjr h LYS 330 CO -0.01 0.51 -0.46 -0.07 -1.08 0.00 0.00 179.45 178.34 2rjr h LEU 331 N 0.79 0.99 -0.75 2.94 3.38 -0.54 -0.58 115.31 121.54 2rjr h LEU 331 Ca 0.35 -0.49 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2rjr h LEU 331 Cb 0.23 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2rjr h LEU 331 CO -0.20 1.29 0.31 -0.09 0.09 0.00 0.00 178.44 179.84 2rjr h ARG 332 N 0.72 1.12 -0.10 1.13 2.43 -0.85 0.43 114.38 119.26 2rjr h ARG 332 Ca 0.04 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 2rjr h ARG 332 Cb 1.06 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.42 2rjr h ARG 332 CO 0.11 0.91 0.02 0.82 -1.51 0.00 0.00 179.97 180.32 2rjr h ILE 333 N 1.08 1.20 -0.60 1.20 2.04 -1.19 -2.86 117.51 118.38 2rjr h ILE 333 Ca 0.25 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 2rjr h ILE 333 Cb 0.20 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 2rjr h ILE 333 CO -0.02 0.18 0.33 -0.08 0.00 0.00 0.00 178.15 178.56 2rjr h GLU 334 N -0.04 0.83 -0.91 2.37 4.57 -0.76 -2.70 114.58 117.95 2rjr h GLU 334 Ca 0.03 -0.09 0.12 0.00 -1.18 0.00 0.00 59.36 58.23 2rjr h GLU 334 Cb 0.26 -0.16 -0.08 0.00 -0.16 0.00 0.00 28.75 28.60 2rjr h GLU 334 CO 0.00 0.63 0.54 -0.07 -1.18 0.00 0.00 179.01 178.93 2rjr h LEU 335 N 0.81 0.76 -3.95 1.64 3.38 -0.08 -2.14 115.31 115.74 2rjr h LEU 335 Ca 0.21 0.06 -0.57 0.00 0.09 0.00 0.00 57.88 57.66 2rjr h LEU 335 Cb 0.03 -0.09 -0.29 0.00 0.09 0.00 0.00 40.66 40.40 2rjr h LEU 335 CO -0.03 0.40 0.74 0.59 0.09 0.00 0.00 178.44 180.22 2rjr n ASN 336 N -4.71 5.55 -4.65 -0.43 3.02 -1.03 -4.27 115.26 108.73 2rjr n ASN 336 Ca 0.17 -3.64 -0.26 0.00 -0.03 0.00 0.00 54.58 50.82 2rjr n ASN 336 Cb 0.34 -0.90 -0.09 0.00 -0.61 0.00 0.00 39.78 38.52 2rjr n ASN 336 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2rjr s SER 337 N -1.44 4.11 -1.14 6.41 1.04 -0.81 -4.67 113.70 117.20 2rjr s SER 337 Ca 0.59 -1.15 -0.07 0.00 0.48 0.00 0.00 55.95 55.80 2rjr s SER 337 Cb 0.48 -0.46 0.26 0.00 0.10 0.00 0.00 66.02 66.40 2rjr s SER 337 CO 0.05 -0.38 1.51 0.00 0.98 0.00 0.00 173.24 175.41 2rjr n ALA 338 N -1.02 4.98 -2.73 5.32 0.00 -1.26 -4.58 120.51 121.22 2rjr n ALA 338 Ca -0.04 -4.63 -0.43 0.00 0.00 0.00 0.00 53.44 48.34 2rjr n ALA 338 Cb 0.64 -2.56 -0.01 0.00 0.00 0.00 0.00 19.45 17.52 2rjr n ALA 338 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2rjr s ASN 339 N -0.34 6.80 0.21 0.00 4.22 -1.26 -4.82 114.94 119.74 2rjr s ASN 339 Ca 0.34 -2.32 -0.23 0.00 -2.14 0.00 0.00 52.86 48.51 2rjr s ASN 339 Cb 0.03 -2.50 0.05 0.00 1.28 0.00 0.00 41.25 40.10 2rjr s ASN 339 CO 0.05 -1.11 0.82 -0.62 -2.04 0.00 0.00 177.10 174.20 2rjr s ASP 340 N 3.93 -0.25 -0.28 3.54 2.15 -1.24 -4.02 116.67 120.51 2rjr s ASP 340 Ca 0.46 -0.46 -0.24 0.00 0.43 0.00 0.00 52.55 52.74 2rjr s ASP 340 Cb 0.00 0.60 0.09 0.00 -0.30 0.00 0.00 42.92 43.32 2rjr s ASP 340 CO -0.01 -1.10 0.86 0.21 -0.17 0.00 0.00 175.17 174.96 2rjr s ASN 341 N -2.90 -0.63 0.94 -0.34 2.47 -1.26 -4.35 114.94 108.88 2rjr s ASN 341 Ca 0.11 1.19 -0.14 0.00 0.42 0.00 0.00 52.86 54.44 2rjr s ASN 341 Cb -0.03 1.21 0.16 0.00 -1.45 0.00 0.00 41.25 41.14 2rjr s ASN 341 CO 0.03 -0.20 1.19 -2.16 -3.72 0.00 0.00 177.10 172.24 2rjr s PRO 342 N 0.40 0.90 0.06 0.43 0.04 -1.26 -4.80 135.00 130.77 2rjr s PRO 342 Ca 0.01 0.01 0.09 0.00 0.04 0.00 0.00 61.00 61.15 2rjr s PRO 342 Cb -0.05 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 2rjr s PRO 342 CO -0.03 -2.31 -0.25 -0.51 0.04 0.00 0.00 177.00 173.94 2rjr s LEU 343 N -6.00 2.19 -0.17 -3.56 1.43 0.17 -4.84 118.68 107.89 2rjr s LEU 343 Ca 0.67 -0.60 -0.06 0.00 -1.03 0.00 0.00 54.13 53.11 2rjr s LEU 343 Cb -0.10 -1.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.89 2rjr s LEU 343 CO 0.53 0.22 0.04 0.12 0.23 0.00 0.00 176.35 177.48 2rjr s PHE 344 N -0.85 3.20 -0.10 0.29 2.19 0.05 -0.61 117.98 122.16 2rjr s PHE 344 Ca 0.11 -0.00 -0.01 0.00 0.33 0.00 0.00 56.93 57.36 2rjr s PHE 344 Cb -0.10 -2.04 0.03 0.00 -1.31 0.00 0.00 43.02 39.60 2rjr s PHE 344 CO 0.03 0.13 -0.03 -0.06 1.83 0.00 0.00 175.22 177.11 2rjr s PHE 345 N 0.32 1.08 0.13 10.12 0.08 -1.26 -4.54 117.98 123.91 2rjr s PHE 345 Ca 0.02 -0.48 -0.35 0.00 0.12 0.00 0.00 56.93 56.23 2rjr s PHE 345 Cb -0.13 -1.02 -0.15 0.00 -0.57 0.00 0.00 43.02 41.15 2rjr s PHE 345 CO 0.01 -0.43 1.46 -1.91 -0.10 0.00 0.00 175.22 174.24 2rjr n GLU 346 N 5.04 1.71 -0.99 0.44 2.13 -1.26 -1.54 120.64 126.17 2rjr n GLU 346 Ca -0.10 0.62 0.00 0.00 0.66 0.00 0.00 57.16 58.34 2rjr n GLU 346 Cb 0.50 -2.32 0.00 0.00 0.27 0.00 0.00 31.44 29.89 2rjr n GLU 346 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2rjr n GLY 347 N 2.95 0.60 3.31 8.31 0.00 -1.26 -5.02 105.19 114.08 2rjr n GLY 347 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 2rjr n GLY 347 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rjr s LYS 348 N -0.08 1.24 0.76 1.61 1.02 -0.59 -5.13 119.74 118.57 2rjr s LYS 348 Ca 0.00 -1.56 -0.13 0.00 0.02 0.00 0.00 55.97 54.30 2rjr s LYS 348 Cb 0.00 -0.85 0.06 0.00 -0.52 0.00 0.00 37.83 36.52 2rjr s LYS 348 CO 0.00 0.09 1.16 -1.21 -0.92 0.00 0.00 175.35 174.47 2rjr s GLU 349 N -3.72 2.04 0.13 1.68 0.41 -1.26 -4.68 118.70 113.29 2rjr s GLU 349 Ca 0.21 1.55 -0.31 0.00 -0.41 0.00 0.00 54.97 56.02 2rjr s GLU 349 Cb 0.02 -1.84 -0.10 0.00 -1.78 0.00 0.00 34.13 30.43 2rjr s GLU 349 CO 0.05 -1.86 1.63 0.42 -0.49 0.00 0.00 175.26 175.00 2rjr s ILE 350 N -2.34 2.72 -0.12 -1.63 -1.09 -1.26 -4.68 121.20 112.80 2rjr s ILE 350 Ca 0.69 0.40 -0.30 0.00 -2.23 0.00 0.00 60.65 59.22 2rjr s ILE 350 Cb -0.24 -3.26 -0.02 0.00 -1.58 0.00 0.00 42.46 37.36 2rjr s ILE 350 CO 0.49 0.02 1.20 0.12 -1.23 0.00 0.00 174.94 175.54 2rjr s PHE 351 N 1.79 3.08 -0.55 3.97 5.36 0.22 -4.88 117.98 126.97 2rjr s PHE 351 Ca 0.73 1.17 -0.01 0.00 -0.96 0.00 0.00 56.93 57.86 2rjr s PHE 351 Cb -0.43 -3.43 0.14 0.00 -0.34 0.00 0.00 43.02 38.96 2rjr s PHE 351 CO 0.32 -1.34 0.33 -1.01 -1.46 0.00 0.00 175.22 172.07 2rjr s HIS 352 N 2.83 3.41 0.00 10.12 3.76 -1.26 -0.66 115.29 133.49 2rjr s HIS 352 Ca 0.54 -2.79 0.00 0.00 -0.15 0.00 0.00 55.06 52.66 2rjr s HIS 352 Cb -0.22 -3.10 0.00 0.00 1.11 0.00 0.00 32.58 30.37 2rjr s HIS 352 CO 0.17 -0.85 0.00 0.41 -0.85 0.00 0.00 174.74 173.62 2rjr n GLY 353 N 3.64 5.40 2.78 -2.22 0.00 -1.26 -5.09 105.19 108.43 2rjr n GLY 353 Ca 0.05 -1.31 -0.03 0.00 0.00 0.00 0.00 46.02 44.73 2rjr n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rjr n ALA 354 N -3.00 2.78 0.99 4.61 0.00 -1.26 -4.90 120.51 119.73 2rjr n ALA 354 Ca 0.00 -2.68 0.05 0.00 0.00 0.00 0.00 53.44 50.82 2rjr n ALA 354 Cb 0.00 -0.89 0.31 0.00 0.00 0.00 0.00 19.45 18.86 2rjr n ALA 354 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2rjr n ASN 355 N -0.53 0.00 -0.08 0.00 5.03 -1.26 -1.20 115.26 117.22 2rjr n ASN 355 Ca 0.05 -0.67 0.12 0.00 0.87 0.00 0.00 54.58 54.95 2rjr n ASN 355 Cb 0.81 0.00 0.25 0.00 -1.02 0.00 0.00 39.78 39.82 2rjr n ASN 355 CO 0.00 0.00 0.00 2.22 -1.83 0.00 0.00 177.26 177.65 2rjr n PHE 356 N -0.82 0.00 -2.33 3.10 1.16 -1.26 -3.96 117.46 113.35 2rjr n PHE 356 Ca 0.08 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.23 2rjr n PHE 356 Cb 0.04 -0.19 -0.02 0.00 -1.61 0.00 0.00 39.48 37.69 2rjr n PHE 356 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 2rjr s HIS 357 N -2.85 2.60 -1.28 2.97 2.46 -0.34 -4.31 115.29 114.54 2rjr s HIS 357 Ca 0.15 0.81 0.03 0.00 0.47 0.00 0.00 55.06 56.52 2rjr s HIS 357 Cb 0.18 -3.72 0.14 0.00 -0.13 0.00 0.00 32.58 29.06 2rjr s HIS 357 CO 0.66 -2.14 0.87 0.41 -2.47 0.00 0.00 174.74 172.07 2rjr n GLY 358 N 3.98 1.00 0.24 1.59 0.00 -0.79 -4.51 105.19 106.70 2rjr n GLY 358 Ca 0.15 -0.17 0.02 0.00 0.00 0.00 0.00 46.02 46.02 2rjr n GLY 358 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2rjr h GLN 359 N 0.77 0.17 -0.79 1.61 5.75 -1.91 0.47 115.11 121.20 2rjr h GLN 359 Ca 0.00 -0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.57 2rjr h GLN 359 Cb 0.56 -0.04 -0.05 0.00 1.07 0.00 0.00 27.48 29.02 2rjr h GLN 359 CO 0.06 0.12 0.51 -1.00 -2.65 0.00 0.00 178.83 175.87 2rjr h PRO 360 N 0.18 0.77 0.12 -2.39 0.13 -2.00 -0.81 132.00 128.00 2rjr h PRO 360 Ca 0.34 -0.05 -0.29 0.00 -0.87 0.00 0.00 66.00 65.13 2rjr h PRO 360 Cb 0.54 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 31.50 2rjr h PRO 360 CO -0.49 0.51 -1.42 0.82 -0.23 0.00 0.00 178.00 177.19 2rjr h ILE 361 N 0.79 1.29 -0.34 -3.56 1.08 -1.53 -2.86 117.51 112.38 2rjr h ILE 361 Ca 0.35 -2.90 0.00 0.00 -0.39 0.00 0.00 64.86 61.93 2rjr h ILE 361 Cb 0.33 2.83 -0.02 0.00 -3.07 0.00 0.00 36.82 36.90 2rjr h ILE 361 CO -0.13 0.84 0.22 0.00 -0.69 0.00 0.00 178.15 178.40 2rjr h ALA 362 N 0.52 0.43 0.24 1.87 0.00 0.39 -0.58 119.26 122.13 2rjr h ALA 362 Ca -0.20 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2rjr h ALA 362 Cb 2.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.66 2rjr h ALA 362 CO 0.18 -0.11 -0.12 0.74 0.00 0.00 0.00 179.25 179.95 2rjr h PHE 363 N 0.46 -0.30 -0.62 0.00 0.04 -1.27 -1.69 116.94 113.55 2rjr h PHE 363 Ca 0.12 -0.01 0.12 0.00 2.80 0.00 0.00 57.97 61.00 2rjr h PHE 363 Cb -0.05 0.10 -0.09 0.00 2.20 0.00 0.00 35.95 38.11 2rjr h PHE 363 CO -0.05 -0.18 0.15 0.00 -0.60 0.00 0.00 178.31 177.63 2rjr h ALA 364 N 0.42 0.76 -0.06 2.45 0.00 -1.23 -0.09 119.26 121.51 2rjr h ALA 364 Ca -0.03 0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 2rjr h ALA 364 Cb 0.26 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2rjr h ALA 364 CO 0.05 -0.30 -0.61 0.52 0.00 0.00 0.00 179.25 178.92 2rjr h MET 365 N 0.28 0.20 -0.33 0.00 2.86 -1.03 -1.48 114.93 115.43 2rjr h MET 365 Ca 0.33 -0.14 -0.07 0.00 -2.06 0.00 0.00 59.70 57.75 2rjr h MET 365 Cb 0.49 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 2rjr h MET 365 CO -0.41 0.75 -0.10 -0.44 1.06 0.00 0.00 176.91 177.77 2rjr h ASP 366 N 0.15 0.55 0.21 1.22 5.19 -0.38 -1.09 116.42 122.26 2rjr h ASP 366 Ca -0.01 -0.14 -0.15 0.00 -0.62 0.00 0.00 57.03 56.11 2rjr h ASP 366 Cb 1.11 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.46 2rjr h ASP 366 CO 0.09 0.69 -0.58 -0.26 -3.12 0.00 0.00 179.24 176.06 2rjr h PHE 367 N 0.52 0.48 -0.53 4.55 0.04 -0.64 -2.78 116.94 118.60 2rjr h PHE 367 Ca 0.10 -0.18 -0.09 0.00 2.80 0.00 0.00 57.97 60.60 2rjr h PHE 367 Cb 0.49 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.54 2rjr h PHE 367 CO 0.02 0.87 -0.02 0.28 -0.60 0.00 0.00 178.31 178.86 2rjr h VAL 368 N 0.29 1.27 -0.52 -0.55 2.07 -0.82 -0.33 116.25 117.65 2rjr h VAL 368 Ca -0.00 -1.13 0.05 0.00 0.82 0.00 0.00 66.70 66.44 2rjr h VAL 368 Cb 1.10 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.76 2rjr h VAL 368 CO 0.10 0.40 0.25 0.74 0.02 0.00 0.00 177.57 179.08 2rjr h THR 369 N 0.81 0.92 -0.03 2.57 2.02 -1.07 0.16 112.91 118.28 2rjr h THR 369 Ca 0.15 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 2rjr h THR 369 Cb 0.55 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 67.36 2rjr h THR 369 CO 0.03 0.09 0.00 0.40 0.37 0.00 0.00 175.52 176.41 2rjr h ILE 370 N 0.48 1.23 -0.42 3.11 2.04 -1.30 -1.66 117.51 120.99 2rjr h ILE 370 Ca 0.24 -0.70 0.03 0.00 1.00 0.00 0.00 64.86 65.42 2rjr h ILE 370 Cb 0.18 1.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 2rjr h ILE 370 CO -0.19 0.19 0.22 0.00 0.00 0.00 0.00 178.15 178.37 2rjr h ALA 371 N 0.72 0.53 -0.07 1.87 0.00 -0.68 -2.16 119.26 119.46 2rjr h ALA 371 Ca 0.01 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2rjr h ALA 371 Cb 0.30 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2rjr h ALA 371 CO 0.00 -0.14 -0.29 -0.07 0.00 0.00 0.00 179.25 178.75 2rjr h LEU 372 N 0.44 0.13 -0.37 0.00 3.38 -0.70 -2.27 115.31 115.92 2rjr h LEU 372 Ca 0.18 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2rjr h LEU 372 Cb 0.08 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2rjr h LEU 372 CO -0.12 0.43 0.19 0.74 0.09 0.00 0.00 178.44 179.77 2rjr h THR 373 N 0.12 1.16 -0.13 0.22 2.02 -0.67 -2.00 112.91 113.62 2rjr h THR 373 Ca 0.02 -0.44 -0.06 0.00 0.77 0.00 0.00 66.41 66.70 2rjr h THR 373 Cb 0.59 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 2rjr h THR 373 CO 0.04 0.17 -0.19 -0.61 0.37 0.00 0.00 175.52 175.30 2rjr h GLN 374 N 0.47 0.22 -0.87 6.66 5.75 -1.17 -1.20 115.11 124.98 2rjr h GLN 374 Ca 0.13 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.55 2rjr h GLN 374 Cb 0.09 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.58 2rjr h GLN 374 CO -0.02 0.41 0.47 1.25 -2.65 0.00 0.00 178.83 178.30 2rjr h LEU 375 N 0.21 1.08 -0.61 -2.39 5.85 -0.80 -1.34 115.31 117.30 2rjr h LEU 375 Ca 0.04 -0.10 -0.15 0.00 0.84 0.00 0.00 57.88 58.51 2rjr h LEU 375 Cb 0.46 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 2rjr h LEU 375 CO 0.03 0.87 -0.67 1.23 -0.34 0.00 0.00 178.44 179.56 2rjr h GLY 376 N 1.22 0.13 0.97 3.75 0.00 -0.78 -2.19 103.07 106.17 2rjr h GLY 376 Ca 0.30 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.45 2rjr h GLY 376 CO -0.05 0.16 0.21 -2.08 0.00 0.00 0.00 176.54 174.78 2rjr h VAL 377 N 0.08 1.13 -0.25 4.60 2.07 -0.47 -0.68 116.25 122.73 2rjr h VAL 377 Ca -0.01 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 2rjr h VAL 377 Cb 1.19 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 2rjr h VAL 377 CO 0.10 0.14 0.09 0.25 0.02 0.00 0.00 177.57 178.16 2rjr h LEU 378 N 0.48 0.36 -0.86 2.57 5.85 -1.20 -2.20 115.31 120.31 2rjr h LEU 378 Ca 0.13 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.69 2rjr h LEU 378 Cb 0.03 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 2rjr h LEU 378 CO -0.02 0.45 0.56 0.00 -0.34 0.00 0.00 178.44 179.09 2rjr h ALA 379 N 0.92 1.13 -0.32 1.25 0.00 -1.19 -1.95 119.26 119.11 2rjr h ALA 379 Ca 0.08 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 2rjr h ALA 379 Cb 0.22 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2rjr h ALA 379 CO -0.00 0.41 -0.31 1.49 0.00 0.00 0.00 179.25 180.83 2rjr h GLU 380 N 1.09 0.67 0.00 0.00 4.22 -0.99 -2.39 114.58 117.18 2rjr h GLU 380 Ca 0.34 -0.30 -0.07 0.00 0.08 0.00 0.00 59.36 59.41 2rjr h GLU 380 Cb -0.01 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2rjr h GLU 380 CO -0.11 0.90 -0.32 0.00 -2.18 0.00 0.00 179.01 177.29 2rjr h ARG 381 N 0.57 0.00 -0.21 1.92 2.47 -1.05 -1.96 114.38 116.13 2rjr h ARG 381 Ca 0.07 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.62 2rjr h ARG 381 Cb 0.81 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.13 2rjr h ARG 381 CO 0.07 0.32 -0.55 1.96 0.56 0.00 0.00 179.97 182.33 2rjr h GLN 382 N 0.00 0.64 -0.51 0.04 4.20 -1.01 -1.44 115.11 117.03 2rjr h GLN 382 Ca -0.00 -0.40 -0.05 0.00 0.06 0.00 0.00 58.65 58.26 2rjr h GLN 382 Cb 0.82 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.63 2rjr h GLN 382 CO 0.04 1.02 0.13 0.82 -0.67 0.00 0.00 178.83 180.17 2rjr h ILE 383 N 0.49 1.24 -0.83 2.54 2.04 -1.12 -2.54 117.51 119.33 2rjr h ILE 383 Ca 0.01 -0.84 0.05 0.00 1.00 0.00 0.00 64.86 65.09 2rjr h ILE 383 Cb 1.11 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 37.94 2rjr h ILE 383 CO 0.11 0.30 0.51 -1.13 0.00 0.00 0.00 178.15 177.95 2rjr h ASN 384 N 0.71 0.82 -0.50 1.72 -1.24 -1.17 -2.39 115.58 113.53 2rjr h ASN 384 Ca 0.16 0.01 0.05 0.00 0.71 0.00 0.00 56.30 57.24 2rjr h ASN 384 Cb 0.32 -0.16 -0.05 0.00 0.73 0.00 0.00 38.32 39.16 2rjr h ASN 384 CO 0.00 0.53 0.23 0.03 -1.29 0.00 0.00 177.43 176.93 2rjr h ARG 385 N 0.96 0.43 0.00 6.67 3.08 -0.86 -2.42 114.38 122.24 2rjr h ARG 385 Ca 0.35 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.38 2rjr h ARG 385 Cb 0.13 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2rjr h ARG 385 CO -0.16 0.28 -0.11 -0.24 -1.07 0.00 0.00 179.97 178.67 2rjr h VAL 386 N 0.44 0.00 0.00 2.04 3.04 -1.16 -2.49 116.25 118.13 2rjr h VAL 386 Ca 0.23 -0.94 0.00 0.00 -1.01 0.00 0.00 66.70 64.98 2rjr h VAL 386 Cb 0.18 1.88 0.00 0.00 -2.01 0.00 0.00 31.29 31.34 2rjr h VAL 386 CO -0.19 0.00 -1.25 0.18 -1.01 0.00 0.00 177.57 175.30 2rjr n LEU 387 N -2.96 0.60 -4.52 3.16 4.77 -0.93 -4.62 117.00 112.49 2rjr n LEU 387 Ca 0.04 0.20 -0.42 0.00 -0.03 0.00 0.00 56.01 55.79 2rjr n LEU 387 Cb 0.52 -0.05 -0.09 0.00 -2.33 0.00 0.00 43.42 41.47 2rjr n LEU 387 CO 0.34 -0.11 0.10 0.21 -1.33 0.00 0.00 177.39 176.61 2rjr s ASN 388 N -4.92 6.21 0.44 -1.43 3.84 -0.93 -0.32 114.94 117.84 2rjr s ASN 388 Ca -0.02 -0.40 0.19 0.00 0.21 0.00 0.00 52.86 52.84 2rjr s ASN 388 Cb 0.11 -2.22 1.14 0.00 -0.55 0.00 0.00 41.25 39.73 2rjr s ASN 388 CO 0.82 -0.48 1.90 0.08 -2.79 0.00 0.00 177.10 176.63 2rjr h ARG 389 N 8.59 0.33 0.00 0.43 0.11 -1.84 0.23 114.38 122.23 2rjr h ARG 389 Ca -0.28 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.78 2rjr h ARG 389 Cb 1.13 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 32.13 2rjr h ARG 389 CO 0.75 0.22 0.00 0.72 0.10 0.00 0.00 179.97 181.76 2rjr n HIS 390 N -4.46 0.89 -0.06 4.08 8.25 -1.26 -3.89 115.22 118.77 2rjr n HIS 390 Ca 0.16 0.31 -0.07 0.00 -0.26 0.00 0.00 57.72 57.86 2rjr n HIS 390 Cb 0.64 -1.00 -0.06 0.00 1.12 0.00 0.00 29.99 30.68 2rjr n HIS 390 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2rjr n LEU 391 N -2.27 1.89 -4.76 2.41 4.77 0.69 -5.02 117.00 114.71 2rjr n LEU 391 Ca 0.03 -0.04 -0.40 0.00 -0.03 0.00 0.00 56.01 55.57 2rjr n LEU 391 Cb 0.31 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.18 2rjr n LEU 391 CO 0.24 0.53 0.81 -0.94 -1.33 0.00 0.00 177.39 176.70 2rjr s SER 392 N -4.82 7.14 -0.56 -1.43 1.04 -0.43 -4.94 113.70 109.70 2rjr s SER 392 Ca -0.12 2.29 -0.24 0.00 0.48 0.00 0.00 55.95 58.36 2rjr s SER 392 Cb 0.04 -2.62 0.04 0.00 0.10 0.00 0.00 66.02 63.58 2rjr s SER 392 CO 0.32 -0.23 0.95 -0.47 0.98 0.00 0.00 173.24 174.79 2rjr s TYR 393 N -1.22 2.77 -0.80 5.02 5.04 -1.26 -4.22 117.35 122.68 2rjr s TYR 393 Ca 0.47 -0.06 -0.05 0.00 -2.44 0.00 0.00 57.07 54.99 2rjr s TYR 393 Cb -0.32 -4.11 0.01 0.00 0.35 0.00 0.00 41.96 37.89 2rjr s TYR 393 CO 0.41 -1.39 0.69 0.41 -1.34 0.00 0.00 175.55 174.33 2rjr n GLY 394 N 5.14 0.05 3.01 8.97 0.00 -1.26 -4.83 105.19 116.27 2rjr n GLY 394 Ca 0.01 -0.12 -0.18 0.00 0.00 0.00 0.00 46.02 45.73 2rjr n GLY 394 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rjr s LEU 395 N -4.74 2.00 0.86 0.99 1.43 -1.26 -4.83 118.68 113.13 2rjr s LEU 395 Ca 0.30 -0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 53.14 2rjr s LEU 395 Cb -0.13 -0.43 0.11 0.00 0.03 0.00 0.00 46.19 45.77 2rjr s LEU 395 CO 0.44 0.10 1.10 -2.16 0.23 0.00 0.00 176.35 176.05 2rjr s PRO 396 N -0.17 1.53 0.21 1.29 0.04 -1.26 -4.70 135.00 131.93 2rjr s PRO 396 Ca 0.03 1.06 -0.32 0.00 0.04 0.00 0.00 61.00 61.81 2rjr s PRO 396 Cb -0.04 -1.82 -0.13 0.00 0.04 0.00 0.00 34.50 32.55 2rjr s PRO 396 CO -0.00 -2.12 1.60 -0.85 0.04 0.00 0.00 177.00 175.66 2rjr n GLU 397 N -3.83 2.41 -2.33 4.56 0.00 -1.26 -2.41 120.64 117.78 2rjr n GLU 397 Ca 0.08 0.86 -0.09 0.00 0.00 0.00 0.00 57.16 58.02 2rjr n GLU 397 Cb 0.54 -2.64 -0.01 0.00 0.00 0.00 0.00 31.44 29.33 2rjr n GLU 397 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2rjr n PHE 398 N 3.14 -1.45 -3.42 -1.84 3.01 0.56 -2.15 117.46 115.32 2rjr n PHE 398 Ca 0.14 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.36 2rjr n PHE 398 Cb 0.32 -2.29 0.02 0.00 -0.01 0.00 0.00 39.48 37.52 2rjr n PHE 398 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2rjr n LEU 399 N -2.61 -2.15 -4.70 4.37 4.77 -1.01 -1.30 117.00 114.37 2rjr n LEU 399 Ca -0.11 -0.47 -0.42 0.00 -0.03 0.00 0.00 56.01 54.98 2rjr n LEU 399 Cb 0.55 -2.49 -0.03 0.00 -2.33 0.00 0.00 43.42 39.13 2rjr n LEU 399 CO 0.13 0.27 0.83 -0.69 -1.33 0.00 0.00 177.39 176.60 2rjr s VAL 400 N -3.10 4.44 0.03 4.08 1.01 -0.91 -4.65 120.40 121.30 2rjr s VAL 400 Ca 0.45 1.75 -0.18 0.00 0.00 0.00 0.00 61.98 64.00 2rjr s VAL 400 Cb -0.22 -4.12 -0.22 0.00 0.00 0.00 0.00 36.38 31.81 2rjr s VAL 400 CO 0.55 0.07 1.15 0.28 0.00 0.00 0.00 175.10 177.16 2rjr h SER 401 N 7.04 0.63 0.00 3.32 0.02 -1.79 -3.46 113.55 119.31 2rjr h SER 401 Ca -0.37 -0.72 0.00 0.00 -0.84 0.00 0.00 61.79 59.85 2rjr h SER 401 Cb 1.19 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.54 2rjr h SER 401 CO 0.82 1.27 0.00 0.61 -1.14 0.00 0.00 176.83 178.39 2rjr n GLY 402 N 0.97 0.54 3.58 -3.77 0.00 -1.26 -5.01 105.19 100.24 2rjr n GLY 402 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 2rjr n GLY 402 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2rjr s ASP 403 N -1.00 6.58 1.00 1.61 1.01 -1.26 -5.03 116.67 119.58 2rjr s ASP 403 Ca 0.00 0.32 -0.12 0.00 0.71 0.00 0.00 52.55 53.46 2rjr s ASP 403 Cb 0.00 -2.49 0.19 0.00 1.01 0.00 0.00 42.92 41.64 2rjr s ASP 403 CO 0.00 -1.09 1.08 -2.16 0.21 0.00 0.00 175.17 173.21 2rjr s PRO 404 N 3.96 0.35 0.00 8.23 0.04 -1.26 -1.52 135.00 144.79 2rjr s PRO 404 Ca 0.41 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.47 2rjr s PRO 404 Cb -0.09 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.76 2rjr s PRO 404 CO 0.27 -2.92 0.00 0.41 0.04 0.00 0.00 177.00 174.80 2rjr n GLY 405 N -0.05 1.93 0.29 0.56 0.00 -1.26 -4.25 105.19 102.41 2rjr n GLY 405 Ca 0.07 -0.15 -0.03 0.00 0.00 0.00 0.00 46.02 45.91 2rjr n GLY 405 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2rjr h LEU 406 N 0.00 0.67 -8.70 0.99 5.85 -1.98 -3.41 115.31 108.73 2rjr h LEU 406 Ca 0.00 -0.14 -0.70 0.00 0.84 0.00 0.00 57.88 57.88 2rjr h LEU 406 Cb 0.00 -0.18 -0.28 0.00 0.37 0.00 0.00 40.66 40.58 2rjr h LEU 406 CO 0.00 0.72 -0.88 -1.00 -0.34 0.00 0.00 178.44 176.93 2rjr s HIS 407 N -5.03 2.33 -0.71 1.25 3.76 -0.58 -5.02 115.29 111.29 2rjr s HIS 407 Ca -0.09 -0.42 0.21 0.00 -0.15 0.00 0.00 55.06 54.61 2rjr s HIS 407 Cb 0.15 -1.42 -0.26 0.00 1.11 0.00 0.00 32.58 32.16 2rjr s HIS 407 CO 0.79 0.08 0.77 0.43 -0.85 0.00 0.00 174.74 175.96 2rjr n SER 408 N 1.97 0.72 0.00 1.40 7.64 -1.26 -4.40 113.62 119.69 2rjr n SER 408 Ca -0.17 -0.70 0.00 0.00 1.01 0.00 0.00 58.87 59.01 2rjr n SER 408 Cb 0.52 1.29 0.00 0.00 -1.01 0.00 0.00 64.21 65.00 2rjr n SER 408 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rjr n GLY 409 N 1.43 3.74 1.19 0.23 0.00 -1.26 -1.85 105.19 108.68 2rjr n GLY 409 Ca 0.02 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.20 2rjr n GLY 409 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2rjr n PHE 410 N 12.41 0.75 -0.24 1.61 3.01 -0.42 -4.55 117.46 130.03 2rjr n PHE 410 Ca 0.00 -0.38 0.03 0.00 1.01 0.00 0.00 57.45 58.11 2rjr n PHE 410 Cb 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 39.48 39.62 2rjr n PHE 410 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2rjr h ALA 411 N 4.32 0.96 0.00 4.37 0.00 -1.55 -1.33 119.26 126.03 2rjr h ALA 411 Ca 0.00 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 2rjr h ALA 411 Cb 0.91 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2rjr h ALA 411 CO 0.00 -0.18 -0.41 0.78 0.00 0.00 0.00 179.25 179.43 2rjr h GLY 412 N 0.45 0.00 2.00 0.00 0.00 -1.82 -3.10 103.07 100.60 2rjr h GLY 412 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 2rjr h GLY 412 CO -0.36 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.18 2rjr h ALA 413 N 1.59 1.00 -0.09 3.60 0.00 -1.55 -3.06 119.26 120.74 2rjr h ALA 413 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2rjr h ALA 413 Cb 1.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2rjr h ALA 413 CO 0.05 0.00 -0.52 0.37 0.00 0.00 0.00 179.25 179.16 2rjr h GLN 414 N 0.00 0.25 -0.37 0.00 4.15 -1.38 -3.32 115.11 114.43 2rjr h GLN 414 Ca 0.00 -0.15 0.06 0.00 0.77 0.00 0.00 58.65 59.34 2rjr h GLN 414 Cb 0.67 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.31 2rjr h GLN 414 CO 0.00 0.71 0.02 1.88 -1.93 0.00 0.00 178.83 179.50 2rjr h TYR 415 N 0.20 0.01 -0.08 3.99 0.05 -1.69 -1.39 116.97 118.06 2rjr h TYR 415 Ca 0.01 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.79 2rjr h TYR 415 Cb 0.98 0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.76 2rjr h TYR 415 CO 0.02 -0.05 -0.05 -1.00 -1.05 0.00 0.00 178.16 176.02 2rjr h PRO 416 N 0.12 0.12 -0.08 4.88 0.13 -1.76 0.48 132.00 135.89 2rjr h PRO 416 Ca 0.18 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.26 2rjr h PRO 416 Cb 0.24 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.35 2rjr h PRO 416 CO -0.29 0.18 -0.10 0.00 -0.23 0.00 0.00 178.00 177.56 2rjr h ALA 417 N 1.83 0.12 -0.49 -0.56 0.00 -1.53 -1.86 119.26 116.78 2rjr h ALA 417 Ca 0.03 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.64 2rjr h ALA 417 Cb 0.18 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2rjr h ALA 417 CO 0.01 -0.03 0.31 1.15 0.00 0.00 0.00 179.25 180.69 2rjr h THR 418 N -0.23 1.09 -0.33 0.00 2.02 -0.96 -2.48 112.91 112.01 2rjr h THR 418 Ca 0.01 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 66.95 2rjr h THR 418 Cb 0.64 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 2rjr h THR 418 CO 0.02 0.11 0.11 0.00 0.37 0.00 0.00 175.52 176.14 2rjr h ALA 419 N 1.20 1.57 0.00 6.16 0.00 -0.88 -2.63 119.26 124.68 2rjr h ALA 419 Ca 0.19 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 2rjr h ALA 419 Cb -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2rjr h ALA 419 CO -0.06 0.33 -0.62 -0.07 0.00 0.00 0.00 179.25 178.83 2rjr h LEU 420 N 0.47 0.00 -0.21 0.00 3.38 -0.89 -1.30 115.31 116.76 2rjr h LEU 420 Ca 0.12 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2rjr h LEU 420 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2rjr h LEU 420 CO -0.01 0.62 0.02 0.58 0.09 0.00 0.00 178.44 179.74 2rjr h VAL 421 N 0.00 1.24 -0.67 1.22 2.07 -1.15 -0.25 116.25 118.71 2rjr h VAL 421 Ca -0.01 -0.81 0.01 0.00 0.82 0.00 0.00 66.70 66.71 2rjr h VAL 421 Cb 1.09 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 32.19 2rjr h VAL 421 CO 0.08 0.25 0.44 0.00 0.02 0.00 0.00 177.57 178.36 2rjr h ALA 422 N 0.82 0.85 -0.34 1.67 0.00 -1.37 -2.03 119.26 118.86 2rjr h ALA 422 Ca 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2rjr h ALA 422 Cb 0.36 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2rjr h ALA 422 CO 0.01 0.27 0.15 1.49 0.00 0.00 0.00 179.25 181.17 2rjr h GLU 423 N 0.90 0.49 -0.07 0.00 4.81 -1.03 -2.29 114.58 117.40 2rjr h GLU 423 Ca 0.25 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 2rjr h GLU 423 Cb -0.10 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.19 2rjr h GLU 423 CO -0.06 0.47 0.01 -0.91 -0.73 0.00 0.00 179.01 177.79 2rjr h ASN 424 N 0.41 0.09 0.88 1.04 2.35 -0.80 -1.02 115.58 118.52 2rjr h ASN 424 Ca 0.11 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 2rjr h ASN 424 Cb 0.14 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.49 2rjr h ASN 424 CO -0.01 0.10 0.00 0.54 -1.65 0.00 0.00 177.43 176.41 2rjr n ARG 425 N -4.49 0.21 0.00 0.81 1.74 -0.79 -2.12 116.66 112.03 2rjr n ARG 425 Ca -0.02 0.39 0.14 0.00 -0.77 0.00 0.00 57.85 57.60 2rjr n ARG 425 Cb 0.12 -1.87 0.62 0.00 -1.02 0.00 0.00 32.46 30.31 2rjr n ARG 425 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2rjr n THR 426 N -2.27 0.00 -3.10 0.55 -2.24 -0.39 -4.76 114.28 102.08 2rjr n THR 426 Ca 0.03 -0.15 -0.43 0.00 -2.27 0.00 0.00 64.05 61.23 2rjr n THR 426 Cb 0.27 0.17 -0.07 0.00 -2.10 0.00 0.00 70.33 68.60 2rjr n THR 426 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2rjr s ILE 427 N -2.12 4.83 0.34 2.28 1.01 -0.90 -5.05 121.20 121.58 2rjr s ILE 427 Ca 0.38 0.26 0.03 0.00 0.00 0.00 0.00 60.65 61.31 2rjr s ILE 427 Cb 0.21 -4.18 -0.02 0.00 0.01 0.00 0.00 42.46 38.47 2rjr s ILE 427 CO 0.38 -0.54 0.51 -0.83 0.00 0.00 0.00 174.94 174.46 2rjr s GLY 428 N 1.96 1.40 0.42 6.18 0.00 -1.26 -5.00 107.32 111.01 2rjr s GLY 428 Ca 0.24 -1.12 -0.26 0.00 0.00 0.00 0.00 44.72 43.57 2rjr s GLY 428 CO 0.18 -1.05 1.45 -1.05 0.00 0.00 0.00 173.10 172.63 2rjr n PRO 429 N -1.73 2.43 -0.03 2.90 -0.02 -1.26 -4.93 135.00 132.36 2rjr n PRO 429 Ca -0.04 0.86 0.02 0.00 -2.02 0.00 0.00 63.50 62.32 2rjr n PRO 429 Cb 0.57 -2.64 -0.11 0.00 -0.02 0.00 0.00 33.50 31.29 2rjr n PRO 429 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2rjr n ALA 430 N 0.07 2.18 0.10 3.55 0.00 -1.26 -4.55 120.51 120.61 2rjr n ALA 430 Ca 0.03 -0.59 0.05 0.00 0.00 0.00 0.00 53.44 52.94 2rjr n ALA 430 Cb 0.40 -0.32 0.25 0.00 0.00 0.00 0.00 19.45 19.78 2rjr n ALA 430 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2rjr n SER 431 N -2.22 0.23 -0.39 0.00 3.41 -1.25 -1.42 113.62 111.97 2rjr n SER 431 Ca -0.11 0.60 0.06 0.00 -0.26 0.00 0.00 58.87 59.16 2rjr n SER 431 Cb 0.62 -0.64 0.03 0.00 -0.26 0.00 0.00 64.21 63.96 2rjr n SER 431 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2rjr n THR 432 N -1.81 0.00 -0.01 6.66 -2.24 -1.26 -4.65 114.28 110.97 2rjr n THR 432 Ca -0.00 -0.44 -0.08 0.00 -2.27 0.00 0.00 64.05 61.25 2rjr n THR 432 Cb 0.03 1.20 0.11 0.00 -2.10 0.00 0.00 70.33 69.57 2rjr n THR 432 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2rjr n GLN 433 N 0.28 1.83 -1.63 -0.78 1.13 -0.51 -4.98 117.38 112.72 2rjr n GLN 433 Ca 0.06 -1.42 -0.42 0.00 -1.94 0.00 0.00 57.00 53.28 2rjr n GLN 433 Cb 0.28 -1.61 0.00 0.00 0.11 0.00 0.00 30.24 29.02 2rjr n GLN 433 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2rjr n SER 434 N -0.16 1.75 -3.92 1.08 2.88 -1.26 -5.01 113.62 108.98 2rjr n SER 434 Ca 0.25 1.12 -0.21 0.00 -1.33 0.00 0.00 58.87 58.70 2rjr n SER 434 Cb 0.98 -1.38 -0.16 0.00 -0.75 0.00 0.00 64.21 62.89 2rjr n SER 434 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2rjr s VAL 435 N -1.17 0.68 0.27 2.46 1.01 -1.26 -4.96 120.40 117.43 2rjr s VAL 435 Ca 0.60 -0.20 -0.29 0.00 0.00 0.00 0.00 61.98 62.08 2rjr s VAL 435 Cb -0.59 -0.68 -0.10 0.00 0.00 0.00 0.00 36.38 35.01 2rjr s VAL 435 CO 0.59 0.26 1.26 -2.16 0.00 0.00 0.00 175.10 175.05 2rjr s PRO 436 N 0.91 4.43 0.36 2.72 0.04 -1.26 -4.80 135.00 137.41 2rjr s PRO 436 Ca -0.11 2.07 -0.03 0.00 0.04 0.00 0.00 61.00 62.97 2rjr s PRO 436 Cb -0.15 -3.14 0.01 0.00 0.04 0.00 0.00 34.50 31.27 2rjr s PRO 436 CO 0.01 -0.13 0.53 -1.13 0.04 0.00 0.00 177.00 176.32 2rjr n SER 437 N 1.58 -1.49 -3.42 6.66 3.41 -1.02 -4.87 113.62 114.47 2rjr n SER 437 Ca 0.02 -2.88 -0.19 0.00 -0.26 0.00 0.00 58.87 55.56 2rjr n SER 437 Cb 0.43 2.72 0.06 0.00 -0.26 0.00 0.00 64.21 67.16 2rjr n SER 437 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2rjr n ASN 438 N -1.61 -4.64 -2.93 4.04 5.15 -1.26 -2.13 115.26 111.88 2rjr n ASN 438 Ca -0.00 -0.76 -0.21 0.00 -0.60 0.00 0.00 54.58 53.01 2rjr n ASN 438 Cb 0.59 -4.73 0.01 0.00 -0.53 0.00 0.00 39.78 35.13 2rjr n ASN 438 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2rjr n GLY 439 N -1.33 -0.51 2.54 8.20 0.00 -1.26 -0.85 105.19 111.99 2rjr n GLY 439 Ca -0.15 0.09 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 2rjr n GLY 439 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2rjr n ASP 440 N -2.31 -4.68 -0.09 1.61 8.00 -0.90 -4.87 116.55 113.31 2rjr n ASP 440 Ca -0.12 0.04 -0.14 0.00 0.71 0.00 0.00 54.79 55.28 2rjr n ASP 440 Cb 0.61 -2.31 -0.04 0.00 -0.02 0.00 0.00 41.12 39.36 2rjr n ASP 440 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 2rjr h ASN 441 N 0.00 0.96 -2.27 -2.24 -1.24 -0.78 -3.12 115.58 106.88 2rjr h ASN 441 Ca -0.03 -0.51 -0.79 0.00 0.71 0.00 0.00 56.30 55.68 2rjr h ASN 441 Cb 0.60 -0.27 -0.24 0.00 0.73 0.00 0.00 38.32 39.13 2rjr h ASN 441 CO 0.04 1.28 1.23 0.00 -1.29 0.00 0.00 177.43 178.70 2rjr n GLN 442 N -4.06 4.74 0.00 6.67 6.02 -0.92 -4.77 117.38 125.06 2rjr n GLN 442 Ca -0.04 -4.33 0.14 0.00 -0.01 0.00 0.00 57.00 52.76 2rjr n GLN 442 Cb 0.58 -2.56 0.63 0.00 1.02 0.00 0.00 30.24 29.92 2rjr n GLN 442 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 2rjr n ASP 443 N 1.20 0.00 -3.45 1.08 5.75 -1.18 -2.43 116.55 117.51 2rjr n ASP 443 Ca 0.40 0.43 -0.17 0.00 -0.01 0.00 0.00 54.79 55.44 2rjr n ASP 443 Cb 0.30 -0.48 -0.11 0.00 -1.03 0.00 0.00 41.12 39.80 2rjr n ASP 443 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2rjr s VAL 444 N -2.95 -0.38 0.48 2.12 1.01 -1.26 -4.42 120.40 115.00 2rjr s VAL 444 Ca 0.16 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 61.94 2rjr s VAL 444 Cb 0.19 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 2rjr s VAL 444 CO 0.52 -0.29 0.12 0.68 0.00 0.00 0.00 175.10 176.13 2rjr s VAL 445 N 2.36 1.66 -0.05 2.92 -7.23 -1.26 -5.09 120.40 113.71 2rjr s VAL 445 Ca 0.08 -1.84 0.16 0.00 -1.81 0.00 0.00 61.98 58.57 2rjr s VAL 445 Cb -0.15 -2.50 -0.24 0.00 0.56 0.00 0.00 36.38 34.05 2rjr s VAL 445 CO -0.19 0.00 0.29 -1.54 -0.31 0.00 0.00 175.10 173.35 2rjr n SER 446 N -1.30 1.30 -2.08 4.85 3.41 -1.13 -4.46 113.62 114.21 2rjr n SER 446 Ca -0.09 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.34 2rjr n SER 446 Cb 0.66 1.57 -0.03 0.00 -0.26 0.00 0.00 64.21 66.14 2rjr n SER 446 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2rjr n MET 447 N -2.16 -1.72 -0.05 4.33 2.81 -0.02 -3.97 117.12 116.33 2rjr n MET 447 Ca -0.07 0.90 0.14 0.00 -1.81 0.00 0.00 57.70 56.86 2rjr n MET 447 Cb 0.54 -5.43 0.55 0.00 -0.71 0.00 0.00 33.22 28.17 2rjr n MET 447 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 2rjr h GLY 448 N 0.00 0.42 2.00 3.03 0.00 -1.81 -1.54 103.07 105.17 2rjr h GLY 448 Ca -0.39 -0.12 -0.08 0.00 0.00 0.00 0.00 47.33 46.74 2rjr h GLY 448 CO 0.50 0.07 -0.37 -2.00 0.00 0.00 0.00 176.54 174.73 2rjr h LEU 449 N 0.29 0.00 -0.20 3.11 5.85 -1.89 0.34 115.31 122.81 2rjr h LEU 449 Ca 0.27 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.83 2rjr h LEU 449 Cb 0.66 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.69 2rjr h LEU 449 CO -0.06 0.37 -0.49 0.40 -0.34 0.00 0.00 178.44 178.32 2rjr h ILE 450 N 0.00 1.32 -0.45 4.05 2.04 -1.62 -0.89 117.51 121.97 2rjr h ILE 450 Ca -0.00 -1.72 0.02 0.00 1.00 0.00 0.00 64.86 64.16 2rjr h ILE 450 Cb 0.82 1.88 -0.03 0.00 -0.74 0.00 0.00 36.82 38.75 2rjr h ILE 450 CO 0.05 0.54 0.26 0.28 0.00 0.00 0.00 178.15 179.27 2rjr h SER 451 N 0.37 0.40 -0.83 1.72 0.02 -1.08 0.77 113.55 114.93 2rjr h SER 451 Ca -0.01 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 2rjr h SER 451 Cb 1.10 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.53 2rjr h SER 451 CO 0.11 0.29 0.42 0.00 -1.14 0.00 0.00 176.83 176.50 2rjr h ALA 452 N 1.21 1.06 0.00 3.77 0.00 -0.81 -1.58 119.26 122.91 2rjr h ALA 452 Ca 0.18 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 2rjr h ALA 452 Cb 0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2rjr h ALA 452 CO -0.10 0.61 -0.49 0.00 0.00 0.00 0.00 179.25 179.27 2rjr h ARG 453 N 1.16 0.00 -0.13 0.00 3.08 -0.70 -1.89 114.38 115.90 2rjr h ARG 453 Ca 0.29 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.32 2rjr h ARG 453 Cb 0.09 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 2rjr h ARG 453 CO -0.04 0.49 0.01 -0.91 -1.07 0.00 0.00 179.97 178.45 2rjr h ASN 454 N 0.00 0.21 -0.91 7.04 2.35 -0.16 -1.79 115.58 122.32 2rjr h ASN 454 Ca -0.00 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.46 2rjr h ASN 454 Cb 1.00 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 39.27 2rjr h ASN 454 CO 0.06 0.44 0.54 0.00 -1.65 0.00 0.00 177.43 176.82 2rjr h ALA 455 N 0.78 1.16 -0.73 -0.83 0.00 -1.19 -1.78 119.26 116.68 2rjr h ALA 455 Ca 0.04 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2rjr h ALA 455 Cb 0.32 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2rjr h ALA 455 CO 0.00 0.62 0.44 -0.09 0.00 0.00 0.00 179.25 180.22 2rjr h ARG 456 N 1.25 0.99 -0.27 0.00 2.43 -1.24 -0.23 114.38 117.31 2rjr h ARG 456 Ca 0.32 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 2rjr h ARG 456 Cb -0.04 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 2rjr h ARG 456 CO -0.06 0.70 0.15 -0.09 -1.51 0.00 0.00 179.97 179.16 2rjr h ARG 457 N 0.99 0.39 -0.60 0.20 2.43 -0.60 0.21 114.38 117.39 2rjr h ARG 457 Ca 0.26 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.34 2rjr h ARG 457 Cb -0.03 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 2rjr h ARG 457 CO -0.05 0.34 0.19 0.28 -1.51 0.00 0.00 179.97 179.23 2rjr h VAL 458 N 0.33 1.24 -0.46 0.20 2.07 -1.15 0.66 116.25 119.14 2rjr h VAL 458 Ca 0.10 -0.82 0.03 0.00 0.82 0.00 0.00 66.70 66.82 2rjr h VAL 458 Cb 0.07 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 2rjr h VAL 458 CO -0.01 0.31 0.25 0.25 0.02 0.00 0.00 177.57 178.39 2rjr h LEU 459 N 0.86 0.39 -0.44 2.57 5.85 -0.73 0.12 115.31 123.93 2rjr h LEU 459 Ca 0.20 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 2rjr h LEU 459 Cb 0.28 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2rjr h LEU 459 CO -0.01 0.28 0.11 -1.28 -0.34 0.00 0.00 178.44 177.20 2rjr h SER 460 N 0.50 0.66 -0.39 1.25 0.87 -0.65 -2.77 113.55 113.02 2rjr h SER 460 Ca 0.19 -0.23 -0.06 0.00 -1.23 0.00 0.00 61.79 60.46 2rjr h SER 460 Cb 0.06 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 2rjr h SER 460 CO -0.11 0.72 0.05 0.78 -0.53 0.00 0.00 176.83 177.74 2rjr h ASN 461 N 0.58 0.71 0.18 6.23 2.35 -0.40 -2.70 115.58 122.53 2rjr h ASN 461 Ca 0.14 -0.15 -0.04 0.00 -0.55 0.00 0.00 56.30 55.70 2rjr h ASN 461 Cb 0.31 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 2rjr h ASN 461 CO 0.00 0.74 -0.18 0.78 -1.65 0.00 0.00 177.43 177.12 2rjr h ASN 462 N 0.71 0.01 0.13 5.81 2.35 -0.52 -2.20 115.58 121.88 2rjr h ASN 462 Ca 0.15 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.84 2rjr h ASN 462 Cb 0.37 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 2rjr h ASN 462 CO 0.01 0.20 -0.21 0.78 -1.65 0.00 0.00 177.43 176.56 2rjr h ASN 463 N 0.02 0.16 -0.06 5.81 2.35 -1.21 0.64 115.58 123.28 2rjr h ASN 463 Ca 0.00 -0.04 -0.14 0.00 -0.55 0.00 0.00 56.30 55.57 2rjr h ASN 463 Cb 0.34 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.67 2rjr h ASN 463 CO 0.02 0.38 -0.51 0.11 -1.65 0.00 0.00 177.43 175.78 2rjr h LYS 464 N 0.15 0.45 -0.00 0.81 6.56 -1.46 -0.88 116.57 122.19 2rjr h LYS 464 Ca 0.03 -0.40 0.01 0.00 -1.06 0.00 0.00 60.65 59.22 2rjr h LYS 464 Cb 0.46 0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 32.21 2rjr h LYS 464 CO 0.03 1.05 -0.04 0.82 -2.06 0.00 0.00 179.45 179.25 2rjr h ILE 465 N -0.02 0.91 -0.59 1.86 2.04 -1.29 -2.01 117.51 118.41 2rjr h ILE 465 Ca -0.05 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 2rjr h ILE 465 Cb 1.18 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 38.14 2rjr h ILE 465 CO 0.10 0.00 0.33 -0.07 0.00 0.00 0.00 178.15 178.51 2rjr h LEU 466 N -0.06 0.71 -0.68 1.44 3.38 -0.91 -1.74 115.31 117.45 2rjr h LEU 466 Ca 0.02 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2rjr h LEU 466 Cb 0.08 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2rjr h LEU 466 CO -0.04 0.57 0.44 0.00 0.09 0.00 0.00 178.44 179.50 2rjr h ALA 467 N 1.55 0.87 -0.69 1.53 0.00 -0.63 0.36 119.26 122.25 2rjr h ALA 467 Ca 0.21 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 2rjr h ALA 467 Cb 0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2rjr h ALA 467 CO -0.04 0.30 0.18 0.28 0.00 0.00 0.00 179.25 179.98 2rjr h VAL 468 N 0.92 1.26 -0.53 0.00 2.07 -0.73 -1.05 116.25 118.19 2rjr h VAL 468 Ca 0.25 -0.94 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 2rjr h VAL 468 Cb -0.09 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 2rjr h VAL 468 CO -0.05 0.36 0.17 -0.08 0.02 0.00 0.00 177.57 177.99 2rjr h GLU 469 N 1.03 0.81 -0.38 1.57 4.81 -0.42 -0.28 114.58 121.71 2rjr h GLU 469 Ca 0.22 -0.17 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2rjr h GLU 469 Cb 0.35 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 2rjr h GLU 469 CO -0.00 0.75 0.24 1.88 -0.73 0.00 0.00 179.01 181.14 2rjr h TYR 470 N 0.72 0.50 -0.64 0.92 -1.99 -0.01 0.11 116.97 116.58 2rjr h TYR 470 Ca 0.17 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.87 2rjr h TYR 470 Cb 0.27 -0.17 -0.03 0.00 2.00 0.00 0.00 36.73 38.81 2rjr h TYR 470 CO 0.02 0.35 0.26 -0.07 -0.00 0.00 0.00 178.16 178.72 2rjr h LEU 471 N 0.51 0.88 -0.87 3.88 3.38 -1.00 -1.69 115.31 120.39 2rjr h LEU 471 Ca 0.14 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 2rjr h LEU 471 Cb -0.01 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 2rjr h LEU 471 CO -0.03 0.81 -0.12 0.00 0.09 0.00 0.00 178.44 179.19 2rjr h ALA 472 N 1.11 1.05 -0.34 1.53 0.00 -0.75 -1.30 119.26 120.55 2rjr h ALA 472 Ca 0.21 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2rjr h ALA 472 Cb 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2rjr h ALA 472 CO -0.02 0.58 -0.00 0.00 0.00 0.00 0.00 179.25 179.81 2rjr h ALA 473 N 1.22 0.46 -0.72 0.00 0.00 -0.50 -1.35 119.26 118.38 2rjr h ALA 473 Ca 0.11 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2rjr h ALA 473 Cb 0.57 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2rjr h ALA 473 CO 0.04 0.22 0.19 0.00 0.00 0.00 0.00 179.25 179.70 2rjr h ALA 474 N 0.85 0.94 -0.69 0.00 0.00 -1.14 -2.30 119.26 116.91 2rjr h ALA 474 Ca 0.10 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 2rjr h ALA 474 Cb 0.46 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2rjr h ALA 474 CO 0.02 0.65 0.19 0.37 0.00 0.00 0.00 179.25 180.49 2rjr h GLN 475 N 1.08 1.08 -0.56 0.00 5.75 -1.12 -2.35 115.11 118.99 2rjr h GLN 475 Ca 0.23 -0.24 -0.04 0.00 -0.15 0.00 0.00 58.65 58.45 2rjr h GLN 475 Cb 0.35 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.72 2rjr h GLN 475 CO -0.00 0.94 0.18 0.00 -2.65 0.00 0.00 178.83 177.29 2rjr h ALA 476 N 1.17 1.26 -0.44 3.38 0.00 -0.95 -0.70 119.26 122.98 2rjr h ALA 476 Ca 0.22 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2rjr h ALA 476 Cb 0.32 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2rjr h ALA 476 CO -0.00 0.53 0.13 0.28 0.00 0.00 0.00 179.25 180.18 2rjr h VAL 477 N 0.82 1.22 -0.34 0.00 2.07 -0.98 -2.18 116.25 116.85 2rjr h VAL 477 Ca 0.19 -0.76 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 2rjr h VAL 477 Cb 0.24 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2rjr h VAL 477 CO -0.01 0.27 0.01 0.44 0.02 0.00 0.00 177.57 178.30 2rjr h ASP 478 N 0.57 0.59 0.15 0.57 3.32 -0.98 -1.78 116.42 118.86 2rjr h ASP 478 Ca 0.14 -0.30 -0.08 0.00 0.02 0.00 0.00 57.03 56.81 2rjr h ASP 478 Cb 0.28 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2rjr h ASP 478 CO -0.00 0.74 -0.27 0.40 -1.72 0.00 0.00 179.24 178.39 2rjr h ILE 479 N 0.41 1.24 0.00 0.35 2.04 -1.10 -2.92 117.51 117.54 2rjr h ILE 479 Ca 0.10 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 64.82 2rjr h ILE 479 Cb 0.44 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 2rjr h ILE 479 CO 0.02 0.34 -0.68 0.77 0.00 0.00 0.00 178.15 178.60 2rjr h SER 480 N 0.19 0.00 -2.37 1.72 4.64 -1.37 -3.48 113.55 112.88 2rjr h SER 480 Ca 0.03 -0.22 -0.26 0.00 -0.47 0.00 0.00 61.79 60.87 2rjr h SER 480 Cb 0.59 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.69 2rjr h SER 480 CO 0.04 0.11 -0.36 0.61 -0.87 0.00 0.00 176.83 176.36 2rjr n GLY 481 N 1.33 -0.14 1.39 -0.77 0.00 -0.69 -4.92 105.19 101.38 2rjr n GLY 481 Ca 0.03 -0.27 0.09 0.00 0.00 0.00 0.00 46.02 45.87 2rjr n GLY 481 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rjr n ARG 482 N -2.51 3.12 -0.10 1.61 1.74 -1.04 -4.62 116.66 114.85 2rjr n ARG 482 Ca -0.12 -2.54 -0.05 0.00 -0.77 0.00 0.00 57.85 54.37 2rjr n ARG 482 Cb 0.60 -1.71 0.01 0.00 -1.02 0.00 0.00 32.46 30.34 2rjr n ARG 482 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2rjr h PHE 483 N 3.83 -0.15 0.00 -1.55 3.57 -1.92 -2.11 116.94 118.62 2rjr h PHE 483 Ca 0.00 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 2rjr h PHE 483 Cb 1.17 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 40.03 2rjr h PHE 483 CO 0.61 -0.13 -0.01 -0.44 -2.23 0.00 0.00 178.31 176.10 2rjr h ASP 484 N 0.02 0.00 0.57 0.41 3.32 -1.97 -1.42 116.42 117.35 2rjr h ASP 484 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 2rjr h ASP 484 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 2rjr h ASP 484 CO -0.35 0.01 -0.25 0.61 -1.72 0.00 0.00 179.24 177.54 2rjr n GLY 485 N -1.13 -1.18 3.76 2.75 0.00 -0.80 -4.92 105.19 103.68 2rjr n GLY 485 Ca -0.03 -0.27 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 2rjr n GLY 485 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rjr s LEU 486 N -2.82 4.00 0.98 0.99 1.43 -0.54 -0.63 118.68 122.08 2rjr s LEU 486 Ca 0.17 2.50 -0.12 0.00 -1.03 0.00 0.00 54.13 55.65 2rjr s LEU 486 Cb 0.19 -4.20 0.18 0.00 0.03 0.00 0.00 46.19 42.39 2rjr s LEU 486 CO 0.58 -1.10 1.09 -0.94 0.23 0.00 0.00 176.35 176.22 2rjr s SER 487 N -1.14 2.80 0.21 2.29 1.04 -1.26 -4.70 113.70 112.93 2rjr s SER 487 Ca 0.65 1.29 -0.10 0.00 0.48 0.00 0.00 55.95 58.27 2rjr s SER 487 Cb -0.34 -1.96 0.25 0.00 0.10 0.00 0.00 66.02 64.07 2rjr s SER 487 CO 0.41 -3.03 1.78 -0.65 0.98 0.00 0.00 173.24 172.72 2rjr h PRO 488 N -1.82 0.52 -0.46 4.02 0.11 -1.82 -0.57 132.00 131.97 2rjr h PRO 488 Ca -0.53 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.48 2rjr h PRO 488 Cb 1.32 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 2rjr h PRO 488 CO 0.56 0.34 0.05 0.00 -0.21 0.00 0.00 178.00 178.74 2rjr h ALA 489 N 1.37 0.62 -0.67 -0.75 0.00 -1.88 -2.21 119.26 115.74 2rjr h ALA 489 Ca 0.29 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2rjr h ALA 489 Cb 0.27 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2rjr h ALA 489 CO -0.23 0.37 0.40 0.00 0.00 0.00 0.00 179.25 179.79 2rjr h ALA 490 N 0.94 0.85 -0.66 0.00 0.00 -1.63 -1.24 119.26 117.52 2rjr h ALA 490 Ca 0.14 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2rjr h ALA 490 Cb 0.43 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2rjr h ALA 490 CO 0.01 0.32 0.35 0.87 0.00 0.00 0.00 179.25 180.81 2rjr h LYS 491 N 0.91 0.93 -0.80 0.00 1.57 -1.00 -0.18 116.57 117.99 2rjr h LYS 491 Ca 0.24 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 2rjr h LYS 491 Cb -0.03 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.07 2rjr h LYS 491 CO -0.04 0.72 0.36 0.00 -0.57 0.00 0.00 179.45 179.91 2rjr h ALA 492 N 1.17 1.03 -0.18 3.86 0.00 -0.98 0.01 119.26 124.16 2rjr h ALA 492 Ca 0.23 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2rjr h ALA 492 Cb 0.07 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2rjr h ALA 492 CO -0.03 0.62 0.05 1.15 0.00 0.00 0.00 179.25 181.03 2rjr h THR 493 N 1.14 1.20 -0.20 0.00 2.02 -0.86 -0.93 112.91 115.27 2rjr h THR 493 Ca 0.27 -0.63 0.04 0.00 0.77 0.00 0.00 66.41 66.86 2rjr h THR 493 Cb 0.15 1.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 2rjr h THR 493 CO -0.03 0.19 -0.03 0.22 0.37 0.00 0.00 175.52 176.24 2rjr h TYR 494 N 0.11 -0.07 -0.88 3.16 3.20 -0.73 -1.56 116.97 120.20 2rjr h TYR 494 Ca 0.06 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.97 2rjr h TYR 494 Cb 0.25 0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.54 2rjr h TYR 494 CO 0.01 -0.07 0.57 0.93 -1.64 0.00 0.00 178.16 177.96 2rjr h GLU 495 N 0.02 1.09 -0.67 1.82 4.39 -0.86 0.26 114.58 120.63 2rjr h GLU 495 Ca 0.10 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 2rjr h GLU 495 Cb 0.14 -0.25 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 2rjr h GLU 495 CO -0.19 0.72 0.39 0.00 -1.16 0.00 0.00 179.01 178.77 2rjr h ALA 496 N 1.35 0.85 -0.15 3.43 0.00 -0.67 0.12 119.26 124.20 2rjr h ALA 496 Ca 0.34 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 2rjr h ALA 496 Cb -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2rjr h ALA 496 CO -0.11 0.34 0.01 0.28 0.00 0.00 0.00 179.25 179.78 2rjr h VAL 497 N 0.91 1.24 0.00 0.00 2.07 -0.65 -3.05 116.25 116.77 2rjr h VAL 497 Ca 0.24 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 2rjr h VAL 497 Cb -0.00 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 2rjr h VAL 497 CO -0.04 0.23 -0.15 0.03 0.02 0.00 0.00 177.57 177.66 2rjr h ARG 498 N 0.01 0.00 0.00 1.57 2.47 -0.67 0.19 114.38 117.94 2rjr h ARG 498 Ca 0.04 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.71 2rjr h ARG 498 Cb 0.34 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.65 2rjr h ARG 498 CO 0.01 0.15 -0.25 0.00 0.56 0.00 0.00 179.97 180.43 2rjr h ARG 499 N 0.00 0.00 0.02 0.04 3.08 -0.67 -3.28 114.38 113.58 2rjr h ARG 499 Ca -0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.72 2rjr h ARG 499 Cb 0.39 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 2rjr h ARG 499 CO 0.02 0.25 -1.79 1.28 -1.07 0.00 0.00 179.97 178.66 2rjr n LEU 500 N -4.18 2.11 -3.99 3.04 4.77 -0.44 -4.97 117.00 113.34 2rjr n LEU 500 Ca -0.02 0.32 -0.23 0.00 -0.03 0.00 0.00 56.01 56.05 2rjr n LEU 500 Cb 0.31 -0.96 -0.16 0.00 -2.33 0.00 0.00 43.42 40.28 2rjr n LEU 500 CO 0.37 0.50 -0.45 -0.69 -1.33 0.00 0.00 177.39 175.79 2rjr s VAL 501 N -2.44 0.93 0.77 4.08 1.01 0.52 -5.05 120.40 120.23 2rjr s VAL 501 Ca -0.31 -0.38 -0.11 0.00 0.00 0.00 0.00 61.98 61.18 2rjr s VAL 501 Cb 0.08 -0.86 0.05 0.00 0.00 0.00 0.00 36.38 35.65 2rjr s VAL 501 CO 0.60 0.30 1.10 -2.84 0.00 0.00 0.00 175.10 174.26 2rjr s PRO 502 N 0.60 2.31 0.66 2.72 0.02 -1.26 -3.94 135.00 136.11 2rjr s PRO 502 Ca -0.11 0.59 -0.17 0.00 0.02 0.00 0.00 61.00 61.32 2rjr s PRO 502 Cb -0.14 -1.95 -0.03 0.00 0.02 0.00 0.00 34.50 32.40 2rjr s PRO 502 CO 0.02 -1.45 0.84 2.41 -0.33 0.00 0.00 177.00 178.49 2rjr n THR 503 N -3.31 2.97 -3.15 0.99 -1.04 -1.26 -4.92 114.28 104.56 2rjr n THR 503 Ca 0.07 -0.44 -0.44 0.00 -2.04 0.00 0.00 64.05 61.20 2rjr n THR 503 Cb 0.57 -1.01 -0.06 0.00 -1.82 0.00 0.00 70.33 68.01 2rjr n THR 503 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2rjr s LEU 504 N -1.80 5.01 0.00 -4.42 2.96 -1.26 -4.95 118.68 114.22 2rjr s LEU 504 Ca 0.73 -0.97 0.00 0.00 -0.22 0.00 0.00 54.13 53.67 2rjr s LEU 504 Cb -0.38 -2.43 0.00 0.00 0.50 0.00 0.00 46.19 43.88 2rjr s LEU 504 CO 0.50 -0.91 0.00 0.61 -1.32 0.00 0.00 176.35 175.23 2rjr n GLY 505 N 5.18 1.40 3.89 7.98 0.00 -1.26 -4.51 105.19 117.86 2rjr n GLY 505 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 2rjr n GLY 505 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2rjr s VAL 506 N 0.16 4.77 0.52 1.61 -7.23 -1.26 -4.41 120.40 114.56 2rjr s VAL 506 Ca 0.00 0.58 -0.21 0.00 -1.81 0.00 0.00 61.98 60.55 2rjr s VAL 506 Cb 0.00 -3.86 -0.08 0.00 0.56 0.00 0.00 36.38 33.00 2rjr s VAL 506 CO 0.00 -1.01 0.86 0.47 -0.31 0.00 0.00 175.10 175.10 2rjr n ASP 507 N -2.55 0.43 -3.52 4.85 8.00 -1.26 -5.02 116.55 117.49 2rjr n ASP 507 Ca 0.04 0.88 -0.17 0.00 0.71 0.00 0.00 54.79 56.24 2rjr n ASP 507 Cb 0.55 -1.31 -0.06 0.00 -0.02 0.00 0.00 41.12 40.28 2rjr n ASP 507 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2rjr s ARG 508 N -2.27 1.07 -0.19 -1.24 1.70 -1.26 -5.12 118.95 111.64 2rjr s ARG 508 Ca 0.69 0.19 -0.19 0.00 -0.47 0.00 0.00 55.73 55.95 2rjr s ARG 508 Cb -0.48 0.50 -0.08 0.00 -0.57 0.00 0.00 34.95 34.32 2rjr s ARG 508 CO 0.53 -0.35 0.63 0.98 -1.08 0.00 0.00 175.30 176.01 2rjr n TYR 509 N 0.81 0.68 -0.10 5.89 9.36 -1.26 -4.87 117.16 127.67 2rjr n TYR 509 Ca -0.19 0.46 -0.11 0.00 3.32 0.00 0.00 57.90 61.38 2rjr n TYR 509 Cb 0.58 -0.89 -0.15 0.00 -0.63 0.00 0.00 39.34 38.25 2rjr n TYR 509 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 2rjr n MET 510 N 1.56 0.71 -0.27 2.98 2.81 -1.26 -4.71 117.12 118.94 2rjr n MET 510 Ca 0.12 0.01 0.09 0.00 -1.81 0.00 0.00 57.70 56.11 2rjr n MET 510 Cb -0.02 -1.51 0.23 0.00 -0.71 0.00 0.00 33.22 31.20 2rjr n MET 510 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2rjr h ALA 511 N 0.85 1.09 -0.68 3.04 0.00 -2.00 -1.86 119.26 119.70 2rjr h ALA 511 Ca -0.55 0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 2rjr h ALA 511 Cb 2.19 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 20.21 2rjr h ALA 511 CO 0.01 -0.38 0.18 -0.44 0.00 0.00 0.00 179.25 178.63 2rjr h ASP 512 N 0.26 1.02 -0.57 0.00 3.32 -2.00 -1.21 116.42 117.25 2rjr h ASP 512 Ca 0.47 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 57.27 2rjr h ASP 512 Cb 0.87 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 2rjr h ASP 512 CO -0.57 0.98 0.24 0.44 -1.72 0.00 0.00 179.24 178.61 2rjr h ASP 513 N 1.02 0.78 -0.43 6.45 3.32 -1.66 -1.00 116.42 124.91 2rjr h ASP 513 Ca 0.22 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 2rjr h ASP 513 Cb 0.35 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 2rjr h ASP 513 CO -0.00 0.73 0.12 0.40 -1.72 0.00 0.00 179.24 178.77 2rjr h ILE 514 N 0.79 1.23 -0.40 0.35 2.04 -1.12 -2.37 117.51 118.02 2rjr h ILE 514 Ca 0.19 -0.76 -0.07 0.00 1.00 0.00 0.00 64.86 65.22 2rjr h ILE 514 Cb 0.19 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 2rjr h ILE 514 CO -0.02 0.27 -0.03 -0.08 0.00 0.00 0.00 178.15 178.29 2rjr h GLU 515 N 0.55 0.67 0.05 2.37 4.81 -1.08 -0.42 114.58 121.52 2rjr h GLU 515 Ca 0.14 -0.17 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2rjr h GLU 515 Cb 0.29 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.59 2rjr h GLU 515 CO -0.00 0.71 -0.03 1.25 -0.73 0.00 0.00 179.01 180.21 2rjr h LEU 516 N 0.62 -0.06 -0.95 1.64 5.85 -0.96 -0.40 115.31 121.05 2rjr h LEU 516 Ca 0.12 -0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 2rjr h LEU 516 Cb 0.44 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 2rjr h LEU 516 CO 0.02 0.10 -0.19 0.58 -0.34 0.00 0.00 178.44 178.61 2rjr h VAL 517 N -0.22 1.25 -0.72 1.05 2.07 -1.30 -2.01 116.25 116.36 2rjr h VAL 517 Ca -0.01 -1.17 -0.07 0.00 0.82 0.00 0.00 66.70 66.27 2rjr h VAL 517 Cb 0.19 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 2rjr h VAL 517 CO 0.01 0.38 0.19 0.00 0.02 0.00 0.00 177.57 178.17 2rjr h ALA 518 N 1.31 0.95 -0.43 1.67 0.00 -0.86 -0.65 119.26 121.25 2rjr h ALA 518 Ca 0.08 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 2rjr h ALA 518 Cb 0.60 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2rjr h ALA 518 CO 0.04 0.67 -0.01 -0.44 0.00 0.00 0.00 179.25 179.51 2rjr h ASP 519 N 1.09 0.76 -0.77 0.00 3.32 -0.83 -1.46 116.42 118.52 2rjr h ASP 519 Ca 0.23 -0.31 0.03 0.00 0.02 0.00 0.00 57.03 57.00 2rjr h ASP 519 Cb 0.36 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.66 2rjr h ASP 519 CO -0.00 0.89 0.49 0.00 -1.72 0.00 0.00 179.24 178.89 2rjr h ALA 520 N 0.90 1.02 -0.19 3.45 0.00 -1.03 -1.44 119.26 121.96 2rjr h ALA 520 Ca 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2rjr h ALA 520 Cb 0.51 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2rjr h ALA 520 CO 0.02 0.28 0.10 -0.07 0.00 0.00 0.00 179.25 179.59 2rjr h LEU 521 N 0.94 0.25 -2.40 0.00 3.38 -0.89 -0.81 115.31 115.77 2rjr h LEU 521 Ca 0.31 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2rjr h LEU 521 Cb 0.03 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2rjr h LEU 521 CO -0.12 0.28 0.01 0.77 0.09 0.00 0.00 178.44 179.46 2rjr h SER 522 N 0.20 0.00 0.89 -0.43 4.64 -0.68 0.15 113.55 118.31 2rjr h SER 522 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2rjr h SER 522 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2rjr h SER 522 CO -0.01 0.00 -0.32 0.54 -0.87 0.00 0.00 176.83 176.17 2rjr n ARG 523 N -3.94 0.12 -1.64 4.77 1.74 -0.60 -4.93 116.66 112.19 2rjr n ARG 523 Ca -0.03 0.06 -0.01 0.00 -0.77 0.00 0.00 57.85 57.10 2rjr n ARG 523 Cb 0.09 -1.60 -0.00 0.00 -1.02 0.00 0.00 32.46 29.93 2rjr n ARG 523 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2rjr n GLY 524 N 1.43 0.38 0.35 -0.13 0.00 0.52 -4.96 105.19 102.77 2rjr n GLY 524 Ca 0.05 -0.92 0.03 0.00 0.00 0.00 0.00 46.02 45.18 2rjr n GLY 524 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2rjr h GLU 525 N 0.00 0.91 -0.00 1.61 4.39 -1.39 -1.99 114.58 118.11 2rjr h GLU 525 Ca -0.03 -0.05 -0.18 0.00 0.34 0.00 0.00 59.36 59.44 2rjr h GLU 525 Cb 0.65 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 2rjr h GLU 525 CO 0.03 0.60 -0.80 0.74 -1.16 0.00 0.00 179.01 178.42 2rjr h PHE 526 N 0.94 0.15 -0.45 4.33 0.04 -1.91 -0.85 116.94 119.19 2rjr h PHE 526 Ca 0.29 -0.08 -0.12 0.00 2.80 0.00 0.00 57.97 60.87 2rjr h PHE 526 Cb 0.01 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 2rjr h PHE 526 CO -0.00 0.86 -0.18 1.25 -0.60 0.00 0.00 178.31 179.64 2rjr h LEU 527 N 0.06 0.94 -1.29 1.54 5.85 -1.88 -2.62 115.31 117.91 2rjr h LEU 527 Ca -0.02 -0.39 -0.07 0.00 0.84 0.00 0.00 57.88 58.23 2rjr h LEU 527 Cb 1.41 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 2rjr h LEU 527 CO 0.11 1.12 -0.35 0.03 -0.34 0.00 0.00 178.44 179.01 2rjr h ARG 528 N 0.76 0.00 -0.39 1.25 3.08 -1.20 -2.47 114.38 115.40 2rjr h ARG 528 Ca 0.10 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.02 2rjr h ARG 528 Cb 0.75 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 2rjr h ARG 528 CO 0.06 0.35 -0.27 0.00 -1.07 0.00 0.00 179.97 179.04 2rjr h ALA 529 N 1.65 0.56 -0.50 0.04 0.00 -0.82 -0.90 119.26 119.30 2rjr h ALA 529 Ca -0.00 -0.41 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 2rjr h ALA 529 Cb 0.63 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2rjr h ALA 529 CO 0.05 0.58 -0.17 0.82 0.00 0.00 0.00 179.25 180.53 2rjr h ILE 530 N 0.69 1.27 -0.05 0.00 5.03 -1.27 -0.81 117.51 122.37 2rjr h ILE 530 Ca 0.08 -1.32 -0.15 0.00 -0.12 0.00 0.00 64.86 63.35 2rjr h ILE 530 Cb 0.85 1.06 -0.01 0.00 -3.03 0.00 0.00 36.82 35.68 2rjr h ILE 530 CO 0.07 0.46 -0.62 0.00 -0.68 0.00 0.00 178.15 177.38 2rjr h ALA 531 N 0.95 0.85 0.00 1.87 0.00 -1.38 -0.71 119.26 120.84 2rjr h ALA 531 Ca 0.12 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 2rjr h ALA 531 Cb 0.73 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2rjr h ALA 531 CO 0.06 0.74 -0.66 -0.09 0.00 0.00 0.00 179.25 179.30 2rjr h ARG 532 N 0.15 0.00 0.00 0.00 2.43 -1.08 -3.38 114.38 112.50 2rjr h ARG 532 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2rjr h ARG 532 Cb 1.12 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 2rjr h ARG 532 CO 0.09 0.08 -0.78 0.39 -1.51 0.00 0.00 179.97 178.25 2rjr n GLU 533 N -2.90 2.71 -4.46 0.20 -0.58 -0.32 -5.06 120.64 110.24 2rjr n GLU 533 Ca 0.00 -0.03 -0.23 0.00 -0.42 0.00 0.00 57.16 56.48 2rjr n GLU 533 Cb 0.59 -1.01 -0.09 0.00 -0.57 0.00 0.00 31.44 30.37 2rjr n GLU 533 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2rjr s THR 534 N -2.09 0.75 -1.19 2.62 -4.23 -0.28 -4.99 115.64 106.24 2rjr s THR 534 Ca 0.01 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.70 2rjr s THR 534 Cb 0.06 -2.52 0.74 0.00 1.34 0.00 0.00 72.50 72.11 2rjr s THR 534 CO 0.34 0.00 1.65 0.47 -0.54 0.00 0.00 174.62 176.53 2rjr n ASP 535 N -1.01 4.82 -4.77 3.99 8.00 -1.26 -4.66 116.55 121.66 2rjr n ASP 535 Ca -0.04 -2.43 -0.39 0.00 0.71 0.00 0.00 54.79 52.64 2rjr n ASP 535 Cb 0.66 -0.59 -0.03 0.00 -0.02 0.00 0.00 41.12 41.14 2rjr n ASP 535 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2rjr s ILE 536 N -1.82 3.33 -0.33 0.53 1.01 -1.26 -5.04 121.20 117.62 2rjr s ILE 536 Ca 0.52 1.21 0.02 0.00 0.00 0.00 0.00 60.65 62.40 2rjr s ILE 536 Cb 0.33 -3.72 0.10 0.00 0.01 0.00 0.00 42.46 39.18 2rjr s ILE 536 CO 0.26 0.20 0.07 -1.58 0.00 0.00 0.00 174.94 173.88 2rjr s GLN 537 N -1.92 1.13 0.31 2.79 0.74 -1.26 -4.70 119.66 116.75 2rjr s GLN 537 Ca 0.51 -1.50 -0.28 0.00 0.05 0.00 0.00 55.36 54.14 2rjr s GLN 537 Cb -0.31 -2.64 -0.09 0.00 1.10 0.00 0.00 33.01 31.07 2rjr s GLN 537 CO 0.40 -0.96 1.12 -0.51 -0.55 0.00 0.00 175.29 174.79 2rjr s LEU 538 N 1.23 4.45 0.00 3.68 1.43 -1.26 -5.04 118.68 123.17 2rjr s LEU 538 Ca 0.10 2.29 0.27 0.00 -1.03 0.00 0.00 54.13 55.77 2rjr s LEU 538 Cb -0.18 -3.74 1.62 0.00 0.03 0.00 0.00 46.19 43.92 2rjr s LEU 538 CO -0.16 -0.28 1.97 0.54 0.23 0.00 0.00 176.35 178.64