#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 4.90 -0.37 0.52 1.01 0.20 -4.89 120.40 121.76 2rjr s VAL 13 Ca 0.00 1.69 -0.21 0.00 0.00 0.00 0.00 61.98 63.45 2rjr s VAL 13 Cb 0.00 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.24 2rjr s VAL 13 CO 0.00 0.26 0.69 -0.55 0.00 0.00 0.00 175.10 175.50 2rjr s SER 14 N 0.60 6.45 -0.83 3.32 0.15 -1.26 -0.76 113.70 121.38 2rjr s SER 14 Ca 0.42 0.14 -0.14 0.00 0.70 0.00 0.00 55.95 57.07 2rjr s SER 14 Cb -0.20 -2.35 0.22 0.00 -1.71 0.00 0.00 66.02 61.98 2rjr s SER 14 CO 0.23 -0.68 0.77 -0.69 1.20 0.00 0.00 173.24 174.06 2rjr s VAL 15 N 2.88 5.57 -0.76 4.45 1.01 -0.41 -4.63 120.40 128.51 2rjr s VAL 15 Ca 0.27 -2.52 0.08 0.00 0.00 0.00 0.00 61.98 59.81 2rjr s VAL 15 Cb -0.14 -4.44 0.19 0.00 0.00 0.00 0.00 36.38 31.99 2rjr s VAL 15 CO 0.16 -1.03 1.08 -0.90 0.00 0.00 0.00 175.10 174.42 2rjr n ASP 16 N 3.92 2.44 -1.12 3.32 5.68 -1.26 -4.44 116.55 125.09 2rjr n ASP 16 Ca 0.14 -1.84 -0.15 0.00 -0.50 0.00 0.00 54.79 52.44 2rjr n ASP 16 Cb 0.47 -0.13 -0.06 0.00 -1.14 0.00 0.00 41.12 40.25 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 0.30 1.44 0.30 6.12 0.00 -1.21 -4.23 105.19 107.91 2rjr n GLY 17 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.87 0.00 -0.10 1.61 -0.58 -1.26 -4.50 120.64 113.94 2rjr n GLU 18 Ca -0.15 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.67 2rjr n GLU 18 Cb 0.57 -0.58 0.10 0.00 -0.57 0.00 0.00 31.44 30.96 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 -2.00 1.55 -2.24 2.62 -2.24 -1.26 -4.89 114.28 105.82 2rjr n THR 19 Ca 0.00 -1.83 -0.41 0.00 -2.27 0.00 0.00 64.05 59.54 2rjr n THR 19 Cb 0.17 -0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.34 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 -2.28 4.45 0.34 3.22 2.96 -1.26 -5.03 118.68 121.07 2rjr s LEU 20 Ca 0.24 2.46 0.09 0.00 -0.22 0.00 0.00 54.13 56.69 2rjr s LEU 20 Cb 0.21 -3.63 -0.05 0.00 0.50 0.00 0.00 46.19 43.23 2rjr s LEU 20 CO 0.02 -0.45 0.09 0.42 -1.32 0.00 0.00 176.35 175.11 2rjr s THR 21 N -0.52 2.92 0.23 3.68 -4.23 -1.26 -4.79 115.64 111.67 2rjr s THR 21 Ca 0.52 -1.80 -0.07 0.00 -1.18 0.00 0.00 61.69 59.15 2rjr s THR 21 Cb -0.36 -2.91 0.20 0.00 1.34 0.00 0.00 72.50 70.76 2rjr s THR 21 CO 0.43 -0.20 1.85 0.58 -0.54 0.00 0.00 174.62 176.75 2rjr h VAL 22 N 1.65 1.25 -0.75 2.29 2.07 -1.93 -1.48 116.25 119.35 2rjr h VAL 22 Ca -0.43 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.47 2rjr h VAL 22 Cb 1.25 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 2rjr h VAL 22 CO 0.64 0.28 0.48 -0.08 0.02 0.00 0.00 177.57 178.91 2rjr h GLU 23 N 1.23 1.00 -0.60 1.57 4.81 -1.95 -1.68 114.58 118.95 2rjr h GLU 23 Ca 0.31 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.41 2rjr h GLU 23 Cb 0.01 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 2rjr h GLU 23 CO -0.05 0.68 0.14 0.00 -0.73 0.00 0.00 179.01 179.05 2rjr h ALA 24 N 1.26 0.80 -0.73 2.92 0.00 -1.83 -1.46 119.26 120.21 2rjr h ALA 24 Ca 0.27 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.01 2rjr h ALA 24 Cb -0.09 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.42 2rjr h ALA 24 CO -0.06 0.51 0.42 0.28 0.00 0.00 0.00 179.25 180.40 2rjr h VAL 25 N 0.88 0.98 -0.13 0.00 2.07 -0.78 -1.06 116.25 118.22 2rjr h VAL 25 Ca 0.19 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.37 2rjr h VAL 25 Cb 0.36 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 2rjr h VAL 25 CO 0.00 0.14 -0.26 0.03 0.02 0.00 0.00 177.57 177.50 2rjr h ARG 26 N 0.77 0.23 -0.34 1.57 3.08 -0.87 0.12 114.38 118.93 2rjr h ARG 26 Ca 0.33 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.25 2rjr h ARG 26 Cb 0.19 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 2rjr h ARG 26 CO -0.18 0.48 -0.00 0.00 -1.07 0.00 0.00 179.97 179.19 2rjr h ARG 27 N 0.21 0.60 0.02 0.04 3.08 -0.18 0.28 114.38 118.43 2rjr h ARG 27 Ca 0.03 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 2rjr h ARG 27 Cb 0.58 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.57 2rjr h ARG 27 CO 0.04 0.72 -0.01 0.28 -1.07 0.00 0.00 179.97 179.93 2rjr h VAL 28 N 0.40 1.13 0.10 2.04 2.07 -0.94 -0.01 116.25 121.04 2rjr h VAL 28 Ca 0.10 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 2rjr h VAL 28 Cb 0.45 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2rjr h VAL 28 CO 0.02 0.12 -0.05 0.00 0.02 0.00 0.00 177.57 177.68 2rjr h ALA 29 N 0.74 -0.14 0.09 1.67 0.00 -0.93 -2.69 119.26 118.01 2rjr h ALA 29 Ca -0.00 -0.21 -0.26 0.00 0.00 0.00 0.00 54.91 54.44 2rjr h ALA 29 Cb 0.22 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2rjr h ALA 29 CO 0.01 -0.36 -1.35 0.93 0.00 0.00 0.00 179.25 178.48 2rjr h GLU 30 N -0.58 0.18 -0.01 0.00 5.08 -0.55 -3.38 114.58 115.33 2rjr h GLU 30 Ca -0.01 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 2rjr h GLU 30 Cb 0.47 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2rjr h GLU 30 CO 0.02 1.15 -0.03 -1.91 -1.00 0.00 0.00 179.01 177.25 2rjr n GLU 31 N -4.02 1.43 -2.64 2.33 2.13 -0.13 -4.92 120.64 114.82 2rjr n GLU 31 Ca -0.26 -0.72 -0.18 0.00 0.66 0.00 0.00 57.16 56.66 2rjr n GLU 31 Cb 0.85 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 31.07 2rjr n GLU 31 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2rjr n ARG 32 N -0.16 -2.67 -1.90 5.31 5.12 -0.54 -4.91 116.66 116.91 2rjr n ARG 32 Ca 0.19 0.79 -0.39 0.00 -1.93 0.00 0.00 57.85 56.52 2rjr n ARG 32 Cb 0.31 -5.48 0.02 0.00 -1.16 0.00 0.00 32.46 26.15 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 -2.91 3.04 0.48 7.54 0.00 -0.64 -4.95 121.76 124.31 2rjr s ALA 33 Ca 0.10 1.30 -0.23 0.00 0.00 0.00 0.00 51.96 53.13 2rjr s ALA 33 Cb -0.05 -3.53 -0.07 0.00 0.00 0.00 0.00 23.12 19.47 2rjr s ALA 33 CO 0.12 -1.13 1.24 0.99 0.00 0.00 0.00 175.76 176.99 2rjr s THR 34 N -1.30 2.74 0.02 0.00 2.01 -1.26 -4.53 115.64 113.31 2rjr s THR 34 Ca 0.65 0.57 0.04 0.00 0.31 0.00 0.00 61.69 63.26 2rjr s THR 34 Cb -0.39 -3.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 2rjr s THR 34 CO 0.48 0.01 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.64 2rjr s VAL 35 N -1.43 3.46 -0.05 3.82 1.01 -1.26 0.61 120.40 126.56 2rjr s VAL 35 Ca 0.65 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 2rjr s VAL 35 Cb -0.33 -2.51 0.04 0.00 0.00 0.00 0.00 36.38 33.58 2rjr s VAL 35 CO 0.40 0.36 0.09 -0.62 0.00 0.00 0.00 175.10 175.34 2rjr s ASP 36 N -1.48 0.09 -0.41 3.32 2.15 0.06 -4.88 116.67 115.51 2rjr s ASP 36 Ca 0.17 0.18 -0.17 0.00 0.43 0.00 0.00 52.55 53.15 2rjr s ASP 36 Cb -0.11 0.06 0.02 0.00 -0.30 0.00 0.00 42.92 42.59 2rjr s ASP 36 CO 0.08 -0.15 0.45 -0.69 -0.17 0.00 0.00 175.17 174.68 2rjr s VAL 37 N 1.26 5.07 0.65 1.11 1.01 -1.26 -1.29 120.40 126.96 2rjr s VAL 37 Ca -0.08 -0.26 -0.17 0.00 0.00 0.00 0.00 61.98 61.47 2rjr s VAL 37 Cb -0.12 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 2rjr s VAL 37 CO -0.05 -0.40 1.10 -0.81 0.00 0.00 0.00 175.10 174.94 2rjr n PRO 38 N 5.64 0.88 -0.25 2.72 -0.04 -1.26 -4.78 135.00 137.90 2rjr n PRO 38 Ca -0.07 0.35 0.14 0.00 -0.04 0.00 0.00 63.50 63.88 2rjr n PRO 38 Cb 0.48 -2.33 0.42 0.00 -0.04 0.00 0.00 33.50 32.02 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 0.30 1.94 -0.54 0.55 0.00 -1.99 -0.47 119.26 119.04 2rjr h ALA 39 Ca -0.49 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 2rjr h ALA 39 Cb 1.35 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 2rjr h ALA 39 CO 0.51 -0.19 0.22 1.49 0.00 0.00 0.00 179.25 181.28 2rjr h GLU 40 N 0.59 0.78 -0.08 0.00 4.81 -2.00 -0.05 114.58 118.64 2rjr h GLU 40 Ca 0.44 -0.11 -0.21 0.00 -0.13 0.00 0.00 59.36 59.35 2rjr h GLU 40 Cb 0.82 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.06 2rjr h GLU 40 CO -0.19 0.63 -0.79 0.77 -0.73 0.00 0.00 179.01 178.70 2rjr h SER 41 N 0.77 0.63 -0.50 1.04 0.02 -1.44 -2.57 113.55 111.50 2rjr h SER 41 Ca 0.19 -0.43 -0.04 0.00 -0.84 0.00 0.00 61.79 60.66 2rjr h SER 41 Cb 0.14 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 2rjr h SER 41 CO -0.02 1.20 0.15 0.40 -1.14 0.00 0.00 176.83 177.43 2rjr h ILE 42 N 0.34 1.23 -0.52 3.27 1.08 -0.87 -1.53 117.51 120.51 2rjr h ILE 42 Ca -0.05 -0.77 -0.01 0.00 -0.39 0.00 0.00 64.86 63.64 2rjr h ILE 42 Cb 1.40 0.79 -0.02 0.00 -3.07 0.00 0.00 36.82 35.92 2rjr h ILE 42 CO 0.14 0.28 0.29 0.00 -0.69 0.00 0.00 178.15 178.18 2rjr h ALA 43 N 1.01 0.67 -0.51 1.87 0.00 -1.00 0.05 119.26 121.34 2rjr h ALA 43 Ca 0.16 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2rjr h ALA 43 Cb 0.28 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2rjr h ALA 43 CO -0.00 0.18 0.10 -0.22 0.00 0.00 0.00 179.25 179.31 2rjr h LYS 44 N 0.70 0.79 -0.05 0.00 3.64 -1.27 -1.67 116.57 118.71 2rjr h LYS 44 Ca 0.18 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2rjr h LYS 44 Cb 0.03 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 2rjr h LYS 44 CO -0.03 0.72 -0.03 0.00 -2.27 0.00 0.00 179.45 177.84 2rjr h ALA 45 N 1.36 0.07 -0.62 5.00 0.00 -0.86 -2.00 119.26 122.20 2rjr h ALA 45 Ca 0.16 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 54.91 2rjr h ALA 45 Cb 0.31 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 2rjr h ALA 45 CO 0.00 -0.17 0.28 0.37 0.00 0.00 0.00 179.25 179.73 2rjr h GLN 46 N -0.31 0.49 -0.54 0.00 5.75 -0.85 0.74 115.11 120.39 2rjr h GLN 46 Ca 0.01 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.43 2rjr h GLN 46 Cb 0.50 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.91 2rjr h GLN 46 CO 0.01 0.33 0.16 -0.22 -2.65 0.00 0.00 178.83 176.45 2rjr h LYS 47 N 0.51 0.84 -0.34 1.69 3.64 -1.29 -1.17 116.57 120.45 2rjr h LYS 47 Ca 0.30 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 2rjr h LYS 47 Cb 0.30 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 2rjr h LYS 47 CO -0.25 0.78 0.13 0.77 -2.27 0.00 0.00 179.45 178.61 2rjr h SER 48 N 0.75 0.48 -0.08 4.20 0.02 -0.68 -2.20 113.55 116.04 2rjr h SER 48 Ca 0.17 -0.17 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2rjr h SER 48 Cb 0.29 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2rjr h SER 48 CO -0.00 0.52 0.03 -0.09 -1.14 0.00 0.00 176.83 176.14 2rjr h ARG 49 N 0.41 0.06 -0.29 3.45 9.65 -0.73 0.11 114.38 127.05 2rjr h ARG 49 Ca 0.11 -0.00 0.02 0.00 -1.10 0.00 0.00 59.98 59.01 2rjr h ARG 49 Cb 0.20 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.73 2rjr h ARG 49 CO -0.01 0.04 0.12 1.49 2.80 0.00 0.00 179.97 184.42 2rjr h GLU 50 N 0.07 0.26 -0.37 0.20 4.81 -1.14 0.39 114.58 118.79 2rjr h GLU 50 Ca 0.03 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 2rjr h GLU 50 Cb 0.02 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 2rjr h GLU 50 CO -0.03 0.17 0.01 0.82 -0.73 0.00 0.00 179.01 179.24 2rjr h ILE 51 N 0.27 1.26 -0.37 2.32 2.04 -1.28 -2.74 117.51 119.01 2rjr h ILE 51 Ca 0.12 -0.98 0.02 0.00 1.00 0.00 0.00 64.86 65.02 2rjr h ILE 51 Cb 0.07 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 2rjr h ILE 51 CO -0.10 0.33 0.21 0.15 0.00 0.00 0.00 178.15 178.74 2rjr h PHE 52 N 0.48 0.40 -0.83 1.37 3.57 -0.32 -2.23 116.94 119.38 2rjr h PHE 52 Ca 0.11 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.73 2rjr h PHE 52 Cb 0.46 -0.13 -0.08 0.00 2.79 0.00 0.00 35.95 38.99 2rjr h PHE 52 CO 0.04 0.23 0.46 0.93 -2.23 0.00 0.00 178.31 177.74 2rjr h GLU 53 N 0.43 0.72 -0.54 1.11 5.08 -0.14 0.15 114.58 121.39 2rjr h GLU 53 Ca 0.15 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.53 2rjr h GLU 53 Cb 0.01 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 2rjr h GLU 53 CO -0.07 0.48 0.36 0.78 -1.00 0.00 0.00 179.01 179.56 2rjr h GLY 54 N 0.74 0.59 0.37 -3.84 0.00 -1.10 0.41 103.07 100.25 2rjr h GLY 54 Ca 0.41 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.53 2rjr h GLY 54 CO -0.28 0.14 -0.09 -2.22 0.00 0.00 0.00 176.54 174.09 2rjr h ILE 55 N 0.47 1.55 -0.80 2.60 2.04 -0.50 -3.20 117.51 119.67 2rjr h ILE 55 Ca 0.24 -1.75 -0.00 0.00 1.00 0.00 0.00 64.86 64.35 2rjr h ILE 55 Cb 0.34 2.69 -0.04 0.00 -0.74 0.00 0.00 36.82 39.07 2rjr h ILE 55 CO -0.07 0.47 0.50 0.00 0.00 0.00 0.00 178.15 179.05 2rjr h ALA 56 N 0.29 1.37 -0.20 1.87 0.00 -0.65 -1.42 119.26 120.52 2rjr h ALA 56 Ca -0.01 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.88 2rjr h ALA 56 Cb 0.81 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2rjr h ALA 56 CO 0.02 0.55 0.22 1.49 0.00 0.00 0.00 179.25 181.53 2rjr h GLU 57 N 1.09 0.00 -0.00 0.00 4.57 -0.21 0.14 114.58 120.17 2rjr h GLU 57 Ca 0.29 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.47 2rjr h GLU 57 Cb -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 2rjr h GLU 57 CO -0.06 0.00 -0.07 1.04 -1.18 0.00 0.00 179.01 178.74 2rjr n GLN 58 N -3.86 0.60 -1.59 1.92 6.02 -0.53 -4.91 117.38 115.03 2rjr n GLN 58 Ca 0.02 -0.14 -0.08 0.00 -0.01 0.00 0.00 57.00 56.79 2rjr n GLN 58 Cb 0.34 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.08 2rjr n GLN 58 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2rjr n ASN 59 N -1.08 -3.61 -4.89 1.08 2.85 0.48 -5.00 115.26 105.10 2rjr n ASN 59 Ca 0.15 0.12 -0.29 0.00 -0.11 0.00 0.00 54.58 54.45 2rjr n ASN 59 Cb 0.26 -2.24 0.00 0.00 1.24 0.00 0.00 39.78 39.04 2rjr n ASN 59 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 2rjr s ILE 60 N -2.35 4.81 -0.00 -1.44 -4.36 -1.26 -4.94 121.20 111.66 2rjr s ILE 60 Ca 0.00 0.53 -0.30 0.00 -0.26 0.00 0.00 60.65 60.62 2rjr s ILE 60 Cb 0.00 -3.86 -0.07 0.00 1.25 0.00 0.00 42.46 39.78 2rjr s ILE 60 CO 0.00 -0.98 1.65 -2.84 0.24 0.00 0.00 174.94 173.00 2rjr s PRO 61 N -4.93 4.20 -0.10 0.37 0.02 -1.26 -4.73 135.00 128.57 2rjr s PRO 61 Ca 0.51 2.24 -0.04 0.00 0.02 0.00 0.00 61.00 63.73 2rjr s PRO 61 Cb -0.11 -3.82 0.05 0.00 0.02 0.00 0.00 34.50 30.64 2rjr s PRO 61 CO 0.49 -0.79 0.20 0.42 -0.33 0.00 0.00 177.00 176.99 2rjr s ILE 62 N 3.41 -0.21 0.20 2.83 1.01 -1.26 -5.00 121.20 122.17 2rjr s ILE 62 Ca 0.73 0.26 -0.32 0.00 0.00 0.00 0.00 60.65 61.32 2rjr s ILE 62 Cb -0.36 -0.34 -0.14 0.00 0.01 0.00 0.00 42.46 41.63 2rjr s ILE 62 CO 0.31 0.11 1.36 0.00 0.00 0.00 0.00 174.94 176.72 2rjr n TYR 63 N 4.88 1.90 -0.78 3.97 9.36 -1.26 -1.31 117.16 133.91 2rjr n TYR 63 Ca -0.14 0.49 0.00 0.00 3.32 0.00 0.00 57.90 61.57 2rjr n TYR 63 Cb 0.51 -2.41 0.00 0.00 -0.63 0.00 0.00 39.34 36.80 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 2.33 0.17 0.77 2.98 0.00 -1.25 -4.58 105.19 105.60 2rjr n GLY 64 Ca 0.14 0.00 -0.06 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 -2.09 0.30 -1.79 1.61 0.31 -0.70 -4.58 118.33 111.39 2rjr n VAL 65 Ca 0.00 -0.08 0.06 0.00 -0.01 0.00 0.00 64.34 64.31 2rjr n VAL 65 Cb 0.17 -1.51 0.16 0.00 -0.91 0.00 0.00 33.84 31.76 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 -3.20 1.70 -3.92 2.52 -2.24 -0.43 -4.88 114.28 103.82 2rjr n THR 66 Ca -0.11 -2.71 -0.10 0.00 -2.27 0.00 0.00 64.05 58.87 2rjr n THR 66 Cb 0.58 0.04 -0.06 0.00 -2.10 0.00 0.00 70.33 68.79 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 -2.49 0.05 1.14 4.28 -4.23 -1.23 -1.53 115.64 111.63 2rjr s THR 67 Ca 0.37 -1.27 -0.19 0.00 -1.18 0.00 0.00 61.69 59.42 2rjr s THR 67 Cb 0.37 -1.81 0.27 0.00 1.34 0.00 0.00 72.50 72.67 2rjr s THR 67 CO -0.09 -0.24 1.17 -0.83 -0.54 0.00 0.00 174.62 174.09 2rjr s GLY 68 N -2.95 1.64 0.11 3.99 0.00 0.27 -3.88 107.32 106.49 2rjr s GLY 68 Ca 0.16 -1.05 0.03 0.00 0.00 0.00 0.00 44.72 43.86 2rjr s GLY 68 CO -0.00 -0.18 0.18 -0.19 0.00 0.00 0.00 173.10 172.91 2rjr s TYR 69 N -3.26 3.34 0.00 1.90 1.51 -1.25 -3.87 117.35 115.73 2rjr s TYR 69 Ca 0.72 0.11 0.00 0.00 -1.01 0.00 0.00 57.07 56.89 2rjr s TYR 69 Cb -0.08 -1.64 0.00 0.00 -0.11 0.00 0.00 41.96 40.13 2rjr s TYR 69 CO 0.55 0.54 0.00 0.41 -1.11 0.00 0.00 175.55 175.94 2rjr n GLY 70 N -0.05 3.40 0.32 0.71 0.00 -1.26 -1.17 105.19 107.14 2rjr n GLY 70 Ca -0.07 -0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.04 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 0.33 -0.99 1.61 4.57 -1.94 -2.35 114.58 115.82 2rjr h GLU 71 Ca 0.00 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 2rjr h GLU 71 Cb 0.00 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 2rjr h GLU 71 CO 0.00 0.22 0.03 -1.33 -1.18 0.00 0.00 179.01 176.75 2rjr n MET 72 N -4.48 1.13 0.20 1.92 2.81 -0.32 -3.93 117.12 114.46 2rjr n MET 72 Ca 0.05 -0.20 0.15 0.00 -1.81 0.00 0.00 57.70 55.89 2rjr n MET 72 Cb 0.24 -1.20 0.63 0.00 -0.71 0.00 0.00 33.22 32.18 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 0.12 0.00 0.00 2.02 2.10 -1.53 -1.78 117.51 118.44 2rjr h ILE 73 Ca 0.03 -0.29 0.00 0.00 1.08 0.00 0.00 64.86 65.69 2rjr h ILE 73 Cb 0.99 1.11 0.00 0.00 -1.09 0.00 0.00 36.82 37.82 2rjr h ILE 73 CO 0.06 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.13 2rjr n TYR 74 N -2.60 0.79 -2.92 2.19 4.11 -1.25 -4.33 117.16 113.16 2rjr n TYR 74 Ca 0.01 0.30 -0.41 0.00 -0.00 0.00 0.00 57.90 57.80 2rjr n TYR 74 Cb 0.22 -0.99 -0.04 0.00 -0.00 0.00 0.00 39.34 38.54 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 -3.28 4.28 -0.23 -3.48 -1.94 -0.69 -4.97 119.30 109.00 2rjr s MET 75 Ca 0.05 0.97 -0.15 0.00 -1.71 0.00 0.00 55.69 54.85 2rjr s MET 75 Cb 0.10 -3.58 -0.04 0.00 2.01 0.00 0.00 34.83 33.32 2rjr s MET 75 CO 0.42 -0.33 0.36 -0.65 -0.01 0.00 0.00 175.02 174.81 2rjr s GLN 76 N 2.16 4.11 -0.15 2.03 -1.52 -1.26 -0.57 119.66 124.47 2rjr s GLN 76 Ca 0.37 0.09 -0.02 0.00 -1.95 0.00 0.00 55.36 53.85 2rjr s GLN 76 Cb -0.16 -3.58 -0.02 0.00 -0.22 0.00 0.00 33.01 29.03 2rjr s GLN 76 CO 0.12 -0.10 -0.08 0.08 -0.25 0.00 0.00 175.29 175.06 2rjr s VAL 77 N 1.52 3.55 0.53 1.09 1.01 -0.59 -4.93 120.40 122.59 2rjr s VAL 77 Ca 0.16 -0.48 -0.20 0.00 0.00 0.00 0.00 61.98 61.46 2rjr s VAL 77 Cb -0.15 -2.53 -0.06 0.00 0.00 0.00 0.00 36.38 33.64 2rjr s VAL 77 CO 0.08 0.51 1.15 -0.62 0.00 0.00 0.00 175.10 176.22 2rjr s ASP 78 N 0.36 5.74 0.27 3.32 2.15 -1.26 -4.38 116.67 122.87 2rjr s ASP 78 Ca -0.07 2.25 0.19 0.00 0.43 0.00 0.00 52.55 55.34 2rjr s ASP 78 Cb -0.15 -2.59 0.99 0.00 -0.30 0.00 0.00 42.92 40.88 2rjr s ASP 78 CO 0.04 -1.21 1.57 2.29 -0.17 0.00 0.00 175.17 177.69 2rjr n LYS 79 N -1.15 0.12 0.04 4.34 2.85 -1.26 -1.26 118.16 121.84 2rjr n LYS 79 Ca 0.11 0.60 0.10 0.00 -1.05 0.00 0.00 58.31 58.07 2rjr n LYS 79 Cb 0.50 -1.89 0.40 0.00 -0.65 0.00 0.00 35.03 33.40 2rjr n LYS 79 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2rjr n SER 80 N -2.14 0.24 -1.22 -5.58 3.41 -1.26 -2.16 113.62 104.91 2rjr n SER 80 Ca -0.01 0.55 0.09 0.00 -0.26 0.00 0.00 58.87 59.24 2rjr n SER 80 Cb 0.04 -0.61 0.29 0.00 -0.26 0.00 0.00 64.21 63.67 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 -1.76 3.21 -0.02 4.33 4.76 -0.39 -4.81 118.16 123.47 2rjr n LYS 81 Ca 0.04 -2.63 -0.01 0.00 -2.87 0.00 0.00 58.31 52.85 2rjr n LYS 81 Cb 0.22 -1.66 -0.00 0.00 -1.84 0.00 0.00 35.03 31.75 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 0.92 -0.02 -0.11 1.97 2.13 -0.92 -0.75 120.64 123.86 2rjr n GLU 82 Ca 0.21 0.69 -0.03 0.00 0.66 0.00 0.00 57.16 58.70 2rjr n GLU 82 Cb 0.71 -1.03 0.20 0.00 0.27 0.00 0.00 31.44 31.59 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 1.22 -0.32 6.31 2.07 -1.88 -2.97 116.25 120.69 2rjr h VAL 83 Ca 0.01 -0.82 -0.08 0.00 0.82 0.00 0.00 66.70 66.62 2rjr h VAL 83 Cb 0.02 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2rjr h VAL 83 CO -0.05 0.30 -0.13 -0.08 0.02 0.00 0.00 177.57 177.64 2rjr h GLU 84 N 0.76 0.64 0.07 1.57 4.81 -1.64 -1.06 114.58 119.73 2rjr h GLU 84 Ca 0.17 -0.27 0.02 0.00 -0.13 0.00 0.00 59.36 59.15 2rjr h GLU 84 Cb 0.31 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 2rjr h GLU 84 CO 0.00 0.85 -0.30 1.25 -0.73 0.00 0.00 179.01 180.09 2rjr h LEU 85 N 0.41 -0.86 -1.11 1.64 5.85 -0.85 0.32 115.31 120.71 2rjr h LEU 85 Ca 0.07 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 2rjr h LEU 85 Cb 0.64 0.34 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 2rjr h LEU 85 CO 0.04 -0.38 0.26 1.56 -0.34 0.00 0.00 178.44 179.59 2rjr h GLN 86 N -0.49 0.89 -0.19 1.25 1.08 -1.53 -2.53 115.11 113.60 2rjr h GLN 86 Ca 0.04 -0.13 -0.15 0.00 -1.45 0.00 0.00 58.65 56.96 2rjr h GLN 86 Cb 0.54 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 2rjr h GLN 86 CO -0.21 0.72 -0.47 1.15 -0.95 0.00 0.00 178.83 179.07 2rjr h THR 87 N 0.88 1.32 -0.51 -0.54 2.02 -0.70 -2.97 112.91 112.42 2rjr h THR 87 Ca 0.21 -1.71 -0.03 0.00 0.77 0.00 0.00 66.41 65.66 2rjr h THR 87 Cb 0.15 1.90 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 2rjr h THR 87 CO -0.02 0.53 0.20 0.78 0.37 0.00 0.00 175.52 177.38 2rjr h ASN 88 N 0.34 0.65 0.58 4.18 2.35 -0.25 -2.17 115.58 121.27 2rjr h ASN 88 Ca -0.01 -0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.64 2rjr h ASN 88 Cb 1.08 -0.17 0.01 0.00 0.05 0.00 0.00 38.32 39.29 2rjr h ASN 88 CO 0.10 0.59 -0.28 0.25 -1.65 0.00 0.00 177.43 176.44 2rjr h LEU 89 N 0.72 -0.66 -0.84 1.61 5.85 -1.44 -0.23 115.31 120.33 2rjr h LEU 89 Ca 0.17 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.97 2rjr h LEU 89 Cb 0.14 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 2rjr h LEU 89 CO -0.02 -0.45 0.51 0.58 -0.34 0.00 0.00 178.44 178.73 2rjr h VAL 90 N -0.81 1.01 0.49 1.05 2.07 -1.36 -0.58 116.25 118.13 2rjr h VAL 90 Ca -0.08 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 2rjr h VAL 90 Cb 0.61 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 2rjr h VAL 90 CO 0.13 0.17 -0.24 0.03 0.02 0.00 0.00 177.57 177.68 2rjr h ARG 91 N 0.92 -0.63 -0.03 1.57 3.08 -1.31 -2.62 114.38 115.35 2rjr h ARG 91 Ca 0.37 0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.48 2rjr h ARG 91 Cb 0.21 0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 2rjr h ARG 91 CO -0.19 -0.36 0.09 0.66 -1.07 0.00 0.00 179.97 179.10 2rjr h SER 92 N -1.09 0.00 -0.02 7.04 4.64 -0.96 -1.88 113.55 121.28 2rjr h SER 92 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2rjr h SER 92 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2rjr h SER 92 CO 0.11 0.00 -0.29 1.41 -0.87 0.00 0.00 176.83 177.19 2rjr n HIS 93 N -3.28 0.00 -2.42 4.77 8.25 -0.23 -4.62 115.22 117.70 2rjr n HIS 93 Ca -0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.01 2rjr n HIS 93 Cb 0.16 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.27 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 0.53 4.74 -0.82 0.41 7.64 -0.71 -4.13 113.62 121.28 2rjr n SER 94 Ca 0.11 -2.92 0.06 0.00 1.01 0.00 0.00 58.87 57.12 2rjr n SER 94 Cb 0.52 -1.68 0.15 0.00 -1.01 0.00 0.00 64.21 62.19 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 7.10 3.22 -1.61 -0.43 0.00 -1.26 -5.00 120.51 122.52 2rjr n ALA 95 Ca 0.47 -2.97 -0.34 0.00 0.00 0.00 0.00 53.44 50.60 2rjr n ALA 95 Cb 0.43 -0.46 0.03 0.00 0.00 0.00 0.00 19.45 19.45 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 -2.84 2.37 0.32 0.00 0.00 -1.26 -4.89 107.32 101.02 2rjr s GLY 96 Ca 0.36 0.70 0.04 0.00 0.00 0.00 0.00 44.72 45.82 2rjr s GLY 96 CO -0.09 1.06 0.19 -1.34 0.00 0.00 0.00 173.10 172.92 2rjr s VAL 97 N -2.07 0.23 0.00 1.40 -7.23 0.59 -4.89 120.40 108.44 2rjr s VAL 97 Ca 0.70 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.87 2rjr s VAL 97 Cb -0.23 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.24 2rjr s VAL 97 CO 0.36 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.76 2rjr n GLY 98 N -0.63 -1.75 3.76 2.32 0.00 -1.26 -1.51 105.19 106.12 2rjr n GLY 98 Ca 0.02 -1.54 -0.31 0.00 0.00 0.00 0.00 46.02 44.19 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 2.15 0.09 1.61 0.02 -1.26 -4.63 135.00 132.98 2rjr s PRO 99 Ca 0.00 1.23 -0.11 0.00 0.02 0.00 0.00 61.00 62.14 2rjr s PRO 99 Cb 0.00 -1.88 -0.06 0.00 0.02 0.00 0.00 34.50 32.58 2rjr s PRO 99 CO 0.00 -1.73 0.43 -0.51 -0.33 0.00 0.00 177.00 174.86 2rjr s LEU 100 N -5.93 4.35 0.66 -5.54 1.43 -1.26 -0.04 118.68 112.34 2rjr s LEU 100 Ca 0.62 0.86 -0.16 0.00 -1.03 0.00 0.00 54.13 54.41 2rjr s LEU 100 Cb -0.18 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 42.99 2rjr s LEU 100 CO 0.55 0.16 1.18 -0.36 0.23 0.00 0.00 176.35 178.10 2rjr s PHE 101 N -1.41 2.34 0.95 0.29 0.40 0.39 -4.86 117.98 116.08 2rjr s PHE 101 Ca 0.34 1.56 -0.12 0.00 -0.60 0.00 0.00 56.93 58.11 2rjr s PHE 101 Cb -0.14 -3.38 0.16 0.00 0.51 0.00 0.00 43.02 40.17 2rjr s PHE 101 CO 0.18 -2.17 1.10 0.00 0.70 0.00 0.00 175.22 175.03 2rjr s ALA 102 N -1.95 1.30 0.19 5.36 0.00 -1.26 -4.72 121.76 120.68 2rjr s ALA 102 Ca 0.73 -0.31 -0.11 0.00 0.00 0.00 0.00 51.96 52.27 2rjr s ALA 102 Cb -0.27 -3.12 0.20 0.00 0.00 0.00 0.00 23.12 19.93 2rjr s ALA 102 CO 0.39 -2.57 1.77 1.49 0.00 0.00 0.00 175.76 176.85 2rjr h GLU 103 N -1.70 0.47 -0.31 0.00 4.81 -1.95 -1.03 114.58 114.88 2rjr h GLU 103 Ca -0.52 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 58.60 2rjr h GLU 103 Cb 1.32 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 2rjr h GLU 103 CO 0.58 0.31 -0.15 0.38 -0.73 0.00 0.00 179.01 179.40 2rjr h ASP 104 N 0.48 0.52 -0.29 1.04 2.03 -1.93 -1.05 116.42 117.24 2rjr h ASP 104 Ca 0.26 -0.15 -0.11 0.00 -0.73 0.00 0.00 57.03 56.30 2rjr h ASP 104 Cb 0.23 -0.14 -0.01 0.00 -0.83 0.00 0.00 39.33 38.59 2rjr h ASP 104 CO -0.22 0.70 -0.25 -0.33 -1.03 0.00 0.00 179.24 178.11 2rjr h GLU 105 N 0.49 0.68 -0.70 4.15 5.08 -1.78 -1.89 114.58 120.61 2rjr h GLU 105 Ca 0.09 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 58.07 2rjr h GLU 105 Cb 0.54 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 2rjr h GLU 105 CO 0.03 0.95 0.34 0.00 -1.00 0.00 0.00 179.01 179.34 2rjr h ALA 106 N 0.71 0.90 -0.73 3.43 0.00 -1.00 -1.84 119.26 120.73 2rjr h ALA 106 Ca 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2rjr h ALA 106 Cb 0.81 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2rjr h ALA 106 CO 0.06 0.46 0.40 0.00 0.00 0.00 0.00 179.25 180.17 2rjr h ARG 107 N 0.97 1.02 -0.70 0.00 3.08 -1.09 -1.10 114.38 116.57 2rjr h ARG 107 Ca 0.24 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 2rjr h ARG 107 Cb 0.11 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 2rjr h ARG 107 CO -0.03 0.77 0.38 0.00 -1.07 0.00 0.00 179.97 180.02 2rjr h ALA 108 N 1.20 0.90 -0.42 0.04 0.00 -0.93 0.13 119.26 120.17 2rjr h ALA 108 Ca 0.26 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2rjr h ALA 108 Cb 0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2rjr h ALA 108 CO -0.04 0.41 0.18 0.82 0.00 0.00 0.00 179.25 180.62 2rjr h ILE 109 N 0.96 1.19 -0.40 0.00 2.04 -0.90 -0.56 117.51 119.84 2rjr h ILE 109 Ca 0.25 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 2rjr h ILE 109 Cb 0.04 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 2rjr h ILE 109 CO -0.04 0.21 0.20 0.58 0.00 0.00 0.00 178.15 179.10 2rjr h VAL 110 N 0.54 1.17 -1.00 1.67 2.07 -0.91 -1.58 116.25 118.21 2rjr h VAL 110 Ca 0.14 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 67.21 2rjr h VAL 110 Cb 0.17 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 2rjr h VAL 110 CO -0.01 0.18 0.66 0.00 0.02 0.00 0.00 177.57 178.42 2rjr h ALA 111 N 1.05 1.32 -0.52 1.67 0.00 -0.72 0.44 119.26 122.49 2rjr h ALA 111 Ca 0.14 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2rjr h ALA 111 Cb 0.11 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2rjr h ALA 111 CO -0.02 0.61 0.13 0.00 0.00 0.00 0.00 179.25 179.97 2rjr h ALA 112 N 1.40 0.68 -0.61 0.00 0.00 -0.75 -1.08 119.26 118.90 2rjr h ALA 112 Ca 0.38 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2rjr h ALA 112 Cb -0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2rjr h ALA 112 CO -0.10 0.37 0.04 -0.09 0.00 0.00 0.00 179.25 179.47 2rjr h ARG 113 N 0.72 1.05 -0.49 0.00 9.65 -0.63 -2.04 114.38 122.64 2rjr h ARG 113 Ca 0.16 -0.31 -0.01 0.00 -1.10 0.00 0.00 59.98 58.72 2rjr h ARG 113 Cb 0.33 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.78 2rjr h ARG 113 CO 0.00 1.01 0.29 1.25 2.80 0.00 0.00 179.97 185.31 2rjr h LEU 114 N 0.95 0.60 -0.91 3.80 5.85 -0.68 -2.33 115.31 122.58 2rjr h LEU 114 Ca 0.18 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 2rjr h LEU 114 Cb 0.51 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 2rjr h LEU 114 CO 0.02 0.50 0.23 -1.13 -0.34 0.00 0.00 178.44 177.72 2rjr h ASN 115 N 0.65 0.95 -0.12 1.25 -0.00 -1.01 0.01 115.58 117.31 2rjr h ASN 115 Ca 0.17 -0.16 0.01 0.00 -0.00 0.00 0.00 56.30 56.32 2rjr h ASN 115 Cb 0.02 -0.25 -0.01 0.00 -0.00 0.00 0.00 38.32 38.08 2rjr h ASN 115 CO -0.03 0.88 0.05 0.74 -0.00 0.00 0.00 177.43 179.07 2rjr h THR 116 N 0.99 0.99 -0.03 -3.57 2.02 -1.08 -2.60 112.91 109.64 2rjr h THR 116 Ca 0.22 -0.04 -0.12 0.00 0.77 0.00 0.00 66.41 67.24 2rjr h THR 116 Cb 0.26 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 2rjr h THR 116 CO -0.01 0.02 -0.54 -0.07 0.37 0.00 0.00 175.52 175.29 2rjr h LEU 117 N 0.12 0.09 -1.20 2.58 3.38 -1.24 -2.70 115.31 116.34 2rjr h LEU 117 Ca 0.05 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2rjr h LEU 117 Cb 0.01 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2rjr h LEU 117 CO -0.04 0.61 0.00 0.00 0.09 0.00 0.00 178.44 179.11 2rjr h ALA 118 N 1.39 1.00 0.00 1.53 0.00 -0.63 -2.40 119.26 120.15 2rjr h ALA 118 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2rjr h ALA 118 Cb 0.98 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2rjr h ALA 118 CO 0.08 0.00 -0.12 -0.22 0.00 0.00 0.00 179.25 178.98 2rjr h LYS 119 N 0.00 0.00 0.00 0.00 3.64 -1.14 -3.40 116.57 115.67 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 0.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2rjr h LYS 119 CO 0.00 0.12 0.00 0.41 -2.27 0.00 0.00 179.45 177.71 2rjr n GLY 120 N -0.55 0.59 1.14 5.01 0.00 -0.91 -4.96 105.19 105.52 2rjr n GLY 120 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 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 0.51 1.05 1.61 8.25 -1.26 -4.31 115.22 119.07 2rjr n HIS 121 Ca 0.00 -0.26 0.12 0.00 -0.26 0.00 0.00 57.72 57.32 2rjr n HIS 121 Cb 0.00 -0.00 0.21 0.00 1.12 0.00 0.00 29.99 31.32 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 1.47 0.75 -3.69 0.41 7.64 -1.26 -0.70 113.62 118.24 2rjr n SER 122 Ca 0.19 -0.55 -0.27 0.00 1.01 0.00 0.00 58.87 59.25 2rjr n SER 122 Cb 0.60 0.34 0.04 0.00 -1.01 0.00 0.00 64.21 64.19 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 -1.25 -1.24 -2.81 -0.43 0.00 -1.26 -4.91 120.51 108.61 2rjr n ALA 123 Ca 0.07 0.27 -0.27 0.00 0.00 0.00 0.00 53.44 53.51 2rjr n ALA 123 Cb 0.34 -4.66 -0.03 0.00 0.00 0.00 0.00 19.45 15.10 2rjr n ALA 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2rjr s VAL 124 N -3.27 5.23 0.43 0.00 0.11 -1.26 -4.62 120.40 117.03 2rjr s VAL 124 Ca 0.59 -0.45 -0.24 0.00 -2.93 0.00 0.00 61.98 58.95 2rjr s VAL 124 Cb -0.28 -3.74 -0.08 0.00 -1.53 0.00 0.00 36.38 30.75 2rjr s VAL 124 CO 0.73 -0.17 1.23 -0.13 -3.33 0.00 0.00 175.10 173.43 2rjr s ARG 125 N -3.34 3.85 0.55 1.54 0.52 -1.26 -4.63 118.95 116.17 2rjr s ARG 125 Ca 0.38 1.96 0.28 0.00 -0.52 0.00 0.00 55.73 57.82 2rjr s ARG 125 Cb -0.11 -2.58 1.46 0.00 0.52 0.00 0.00 34.95 34.24 2rjr s ARG 125 CO 0.29 -0.53 1.96 -1.35 0.02 0.00 0.00 175.30 175.69 2rjr h PRO 126 N 2.35 0.00 -0.66 3.54 0.11 -1.91 -0.67 132.00 134.77 2rjr h PRO 126 Ca -0.49 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.70 2rjr h PRO 126 Cb 1.25 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 2rjr h PRO 126 CO 0.61 0.00 0.44 0.97 -0.21 0.00 0.00 178.00 179.81 2rjr h ILE 127 N 0.00 0.96 -0.61 4.15 6.09 -1.98 0.16 117.51 126.27 2rjr h ILE 127 Ca 0.26 -0.20 -0.05 0.00 -1.37 0.00 0.00 64.86 63.50 2rjr h ILE 127 Cb 1.13 0.33 -0.03 0.00 0.47 0.00 0.00 36.82 38.72 2rjr h ILE 127 CO -0.00 0.11 0.19 0.40 -3.07 0.00 0.00 178.15 175.78 2rjr h ILE 128 N 0.58 1.24 -0.27 2.19 1.08 -1.48 0.26 117.51 121.11 2rjr h ILE 128 Ca 0.29 -0.83 -0.03 0.00 -0.39 0.00 0.00 64.86 63.90 2rjr h ILE 128 Cb 0.40 0.62 -0.01 0.00 -3.07 0.00 0.00 36.82 34.76 2rjr h ILE 128 CO -0.09 0.32 0.05 -0.07 -0.69 0.00 0.00 178.15 177.67 2rjr h LEU 129 N 0.88 0.42 -0.99 1.44 3.38 -1.30 -1.70 115.31 117.44 2rjr h LEU 129 Ca 0.20 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2rjr h LEU 129 Cb 0.29 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 2rjr h LEU 129 CO -0.01 0.56 0.58 -0.33 0.09 0.00 0.00 178.44 179.34 2rjr h GLU 130 N 0.27 1.27 -0.21 1.13 5.08 -0.63 -0.86 114.58 120.63 2rjr h GLU 130 Ca 0.08 -0.11 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 2rjr h GLU 130 Cb 0.31 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 2rjr h GLU 130 CO 0.00 0.88 -0.30 -0.09 -1.00 0.00 0.00 179.01 178.50 2rjr h ARG 131 N 1.30 0.57 -0.63 2.33 9.65 -0.33 0.08 114.38 127.34 2rjr h ARG 131 Ca 0.34 -0.33 -0.00 0.00 -1.10 0.00 0.00 59.98 58.89 2rjr h ARG 131 Cb -0.08 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.50 2rjr h ARG 131 CO -0.07 0.94 0.39 -0.07 2.80 0.00 0.00 179.97 183.96 2rjr h LEU 132 N 0.24 0.75 -1.15 3.80 3.38 -1.17 0.04 115.31 121.21 2rjr h LEU 132 Ca 0.02 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2rjr h LEU 132 Cb 0.88 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 2rjr h LEU 132 CO 0.07 0.58 0.42 0.00 0.09 0.00 0.00 178.44 179.60 2rjr h ALA 133 N 1.20 1.35 -0.49 1.53 0.00 -1.04 -2.32 119.26 119.49 2rjr h ALA 133 Ca 0.23 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 2rjr h ALA 133 Cb -0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 2rjr h ALA 133 CO -0.04 0.54 -0.14 0.37 0.00 0.00 0.00 179.25 179.97 2rjr h GLN 134 N 1.02 0.97 -0.89 0.00 4.15 0.02 -0.44 115.11 119.95 2rjr h GLN 134 Ca 0.26 -0.38 -0.02 0.00 0.77 0.00 0.00 58.65 59.28 2rjr h GLN 134 Cb -0.01 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.59 2rjr h GLN 134 CO -0.05 1.05 0.49 1.88 -1.93 0.00 0.00 178.83 180.28 2rjr h TYR 135 N 0.83 1.22 -0.14 3.99 -1.99 -0.61 0.28 116.97 120.56 2rjr h TYR 135 Ca 0.12 -0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.77 2rjr h TYR 135 Cb 0.71 -0.39 -0.00 0.00 2.00 0.00 0.00 36.73 39.05 2rjr h TYR 135 CO 0.05 0.84 -0.13 -0.07 -0.00 0.00 0.00 178.16 178.85 2rjr h LEU 136 N 1.25 0.35 -1.08 3.88 3.38 -1.25 0.32 115.31 122.16 2rjr h LEU 136 Ca 0.31 -0.48 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 2rjr h LEU 136 Cb 0.03 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2rjr h LEU 136 CO -0.05 0.75 -0.45 0.78 0.09 0.00 0.00 178.44 179.57 2rjr h ASN 137 N -0.05 0.00 -0.00 -0.43 -0.26 -0.85 -3.04 115.58 110.95 2rjr h ASN 137 Ca 0.02 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 2rjr h ASN 137 Cb 0.65 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.91 2rjr h ASN 137 CO 0.03 0.45 -0.10 -0.62 -1.06 0.00 0.00 177.43 176.13 2rjr n GLU 138 N -3.92 1.88 -1.46 0.81 1.02 0.97 -4.97 120.64 114.97 2rjr n GLU 138 Ca -0.01 -1.45 -0.02 0.00 -0.02 0.00 0.00 57.16 55.66 2rjr n GLU 138 Cb 0.48 -1.47 -0.01 0.00 -0.02 0.00 0.00 31.44 30.43 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 0.43 3.51 0.62 0.00 -0.64 -5.00 105.19 105.44 2rjr n GLY 139 Ca 0.14 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.09 4.55 -0.27 -0.61 1.01 0.10 -5.01 121.20 118.89 2rjr s ILE 140 Ca 0.00 0.18 -0.07 0.00 0.00 0.00 0.00 60.65 60.76 2rjr s ILE 140 Cb 0.00 -4.43 -0.01 0.00 0.01 0.00 0.00 42.46 38.03 2rjr s ILE 140 CO 0.00 -0.94 0.08 -0.89 0.00 0.00 0.00 174.94 173.18 2rjr s THR 141 N 3.51 4.18 0.55 2.92 2.01 -1.26 -4.49 115.64 123.06 2rjr s THR 141 Ca 0.27 -0.39 -0.21 0.00 0.31 0.00 0.00 61.69 61.67 2rjr s THR 141 Cb -0.14 -3.04 -0.05 0.00 0.01 0.00 0.00 72.50 69.29 2rjr s THR 141 CO 0.19 0.22 1.32 -2.84 -0.69 0.00 0.00 174.62 172.83 2rjr s PRO 142 N 1.57 3.13 -0.49 4.92 0.02 -1.26 0.20 135.00 143.09 2rjr s PRO 142 Ca 0.05 2.15 -0.21 0.00 0.02 0.00 0.00 61.00 63.00 2rjr s PRO 142 Cb -0.16 -2.21 0.04 0.00 0.02 0.00 0.00 34.50 32.19 2rjr s PRO 142 CO 0.03 -1.17 0.73 0.00 -0.33 0.00 0.00 177.00 176.26 2rjr s ALA 143 N -1.35 3.31 -0.29 -1.55 0.00 0.23 -4.20 121.76 117.90 2rjr s ALA 143 Ca 0.72 -1.35 -0.04 0.00 0.00 0.00 0.00 51.96 51.29 2rjr s ALA 143 Cb -0.38 -3.44 0.03 0.00 0.00 0.00 0.00 23.12 19.32 2rjr s ALA 143 CO 0.45 -2.01 0.02 0.42 0.00 0.00 0.00 175.76 174.64 2rjr s ILE 144 N 3.09 3.42 0.41 0.00 1.01 -1.26 -4.73 121.20 123.15 2rjr s ILE 144 Ca 0.23 -0.98 -0.25 0.00 0.00 0.00 0.00 60.65 59.65 2rjr s ILE 144 Cb -0.15 -2.82 -0.08 0.00 0.01 0.00 0.00 42.46 39.42 2rjr s ILE 144 CO 0.17 0.05 1.25 -2.84 0.00 0.00 0.00 174.94 173.57 2rjr s PRO 145 N 1.39 3.95 0.42 2.79 0.02 -1.26 -0.46 135.00 141.84 2rjr s PRO 145 Ca -0.00 2.03 0.23 0.00 0.02 0.00 0.00 61.00 63.28 2rjr s PRO 145 Cb -0.18 -2.69 0.59 0.00 0.02 0.00 0.00 34.50 32.24 2rjr s PRO 145 CO -0.00 -0.47 1.69 0.93 -0.33 0.00 0.00 177.00 178.82 2rjr h GLU 146 N 2.58 0.00 -6.03 5.54 5.08 -0.49 -3.43 114.58 117.83 2rjr h GLU 146 Ca -0.49 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.19 2rjr h GLU 146 Cb 1.24 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.28 2rjr h GLU 146 CO 0.62 0.18 -0.72 0.42 -1.00 0.00 0.00 179.01 178.51 2rjr s ILE 147 N -3.33 3.48 0.00 3.13 1.01 -0.57 -4.74 121.20 120.18 2rjr s ILE 147 Ca 0.04 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.13 2rjr s ILE 147 Cb 0.08 -2.42 0.00 0.00 0.01 0.00 0.00 42.46 40.12 2rjr s ILE 147 CO 0.66 0.58 0.00 0.61 0.00 0.00 0.00 174.94 176.79 2rjr n GLY 148 N 2.50 2.14 3.76 6.18 0.00 -1.26 -0.30 105.19 118.22 2rjr n GLY 148 Ca -0.18 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 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 0.00 6.88 0.00 1.61 0.15 -1.26 -4.63 113.70 116.44 2rjr s SER 149 Ca 0.00 2.59 0.17 0.00 0.70 0.00 0.00 55.95 59.41 2rjr s SER 149 Cb 0.00 -2.64 0.12 0.00 -1.71 0.00 0.00 66.02 61.79 2rjr s SER 149 CO 0.00 -0.46 1.03 0.18 1.20 0.00 0.00 173.24 175.19 2rjr n LEU 150 N 1.05 2.35 -2.40 3.45 4.77 -1.26 -4.85 117.00 120.11 2rjr n LEU 150 Ca 0.00 -0.97 -0.01 0.00 -0.03 0.00 0.00 56.01 55.00 2rjr n LEU 150 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 2rjr n LEU 150 CO 0.58 0.42 -0.26 0.61 -1.33 0.00 0.00 177.39 177.41 2rjr n GLY 151 N 1.00 -3.21 2.62 -0.72 0.00 -1.26 -0.23 105.19 103.39 2rjr n GLY 151 Ca 0.10 0.42 -0.12 0.00 0.00 0.00 0.00 46.02 46.42 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 0.29 2.21 0.15 1.61 8.00 -0.81 -1.74 116.55 126.26 2rjr n ASP 155 Ca 0.02 -2.89 -0.16 0.00 0.71 0.00 0.00 54.79 52.47 2rjr n ASP 155 Cb 0.08 -0.51 -0.09 0.00 -0.02 0.00 0.00 41.12 40.59 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 2.86 -1.45 0.31 0.64 3.38 -1.83 -2.40 115.31 116.82 2rjr h LEU 156 Ca -0.01 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2rjr h LEU 156 Cb 1.14 0.52 -0.03 0.00 0.09 0.00 0.00 40.66 42.38 2rjr h LEU 156 CO 0.55 -0.57 -0.44 0.00 0.09 0.00 0.00 178.44 178.08 2rjr h ALA 157 N -0.50 -0.90 -0.54 1.53 0.00 -1.82 0.89 119.26 117.91 2rjr h ALA 157 Ca -0.01 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.84 2rjr h ALA 157 Cb 0.77 0.67 -0.06 0.00 0.00 0.00 0.00 17.79 19.17 2rjr h ALA 157 CO -0.23 -1.06 0.23 -1.35 0.00 0.00 0.00 179.25 176.85 2rjr h PRO 158 N -0.80 0.43 0.00 0.00 0.11 -1.82 -1.70 132.00 128.21 2rjr h PRO 158 Ca -0.02 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.99 2rjr h PRO 158 Cb 0.75 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.75 2rjr h PRO 158 CO -0.14 0.28 -0.35 -0.07 -0.21 0.00 0.00 178.00 177.52 2rjr h LEU 159 N 0.44 0.00 -1.08 2.35 3.38 -1.27 -2.49 115.31 116.63 2rjr h LEU 159 Ca 0.26 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.14 2rjr h LEU 159 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2rjr h LEU 159 CO -0.23 0.35 -0.34 0.28 0.09 0.00 0.00 178.44 178.59 2rjr h SER 160 N 0.00 0.21 0.45 -0.43 0.02 0.10 0.81 113.55 114.71 2rjr h SER 160 Ca -0.00 -0.08 -0.13 0.00 -0.84 0.00 0.00 61.79 60.74 2rjr h SER 160 Cb 0.74 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 2rjr h SER 160 CO 0.05 0.55 -0.56 0.45 -1.14 0.00 0.00 176.83 176.17 2rjr h HIS 161 N 0.18 0.15 -0.08 3.45 3.86 -1.01 -0.51 115.15 121.19 2rjr h HIS 161 Ca 0.02 -0.05 -0.05 0.00 -1.16 0.00 0.00 60.37 59.13 2rjr h HIS 161 Cb 0.70 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.14 2rjr h HIS 161 CO 0.01 0.65 -0.14 0.28 0.86 0.00 0.00 177.93 179.59 2rjr h VAL 162 N 0.09 1.40 -0.98 2.45 2.07 -1.18 -3.13 116.25 116.98 2rjr h VAL 162 Ca -0.00 -1.42 0.05 0.00 0.82 0.00 0.00 66.70 66.15 2rjr h VAL 162 Cb 1.02 2.15 -0.06 0.00 -1.52 0.00 0.00 31.29 32.88 2rjr h VAL 162 CO 0.08 0.40 0.64 0.00 0.02 0.00 0.00 177.57 178.70 2rjr h ALA 163 N 0.51 1.40 -0.81 1.67 0.00 -0.72 -2.01 119.26 119.30 2rjr h ALA 163 Ca 0.00 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.98 2rjr h ALA 163 Cb 0.71 -0.32 -0.08 0.00 0.00 0.00 0.00 17.79 18.10 2rjr h ALA 163 CO 0.03 0.47 0.44 0.77 0.00 0.00 0.00 179.25 180.97 2rjr h SER 164 N 1.18 0.61 0.46 0.00 0.02 -1.04 -0.84 113.55 113.93 2rjr h SER 164 Ca 0.41 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 2rjr h SER 164 Cb 0.10 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2rjr h SER 164 CO -0.15 0.33 0.00 0.71 -1.14 0.00 0.00 176.83 176.59 2rjr h THR 165 N 0.72 0.00 0.00 -2.27 1.35 -0.93 0.19 112.91 111.98 2rjr h THR 165 Ca 0.40 -0.21 -0.16 0.00 -0.55 0.00 0.00 66.41 65.90 2rjr h THR 165 Cb 0.42 1.08 -0.02 0.00 -1.73 0.00 0.00 68.15 67.89 2rjr h THR 165 CO -0.27 0.00 -0.74 -0.07 -0.25 0.00 0.00 175.52 174.19 2rjr h LEU 166 N 0.00 0.00 -3.58 3.87 3.38 -1.17 -3.21 115.31 114.60 2rjr h LEU 166 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2rjr h LEU 166 Cb 0.23 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 2rjr h LEU 166 CO 0.00 0.74 0.12 2.30 0.09 0.00 0.00 178.44 181.69 2rjr n ILE 167 N -3.34 2.76 -1.32 1.22 -5.35 -0.80 -1.65 119.36 110.87 2rjr n ILE 167 Ca 0.01 -1.66 -0.09 0.00 -0.27 0.00 0.00 62.75 60.74 2rjr n ILE 167 Cb 0.81 -0.31 -0.03 0.00 -1.74 0.00 0.00 39.64 38.36 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 -0.00 0.95 3.75 3.28 0.00 -1.14 -4.75 105.19 107.30 2rjr n GLY 168 Ca 0.33 -0.64 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 2rjr n GLY 168 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rjr s GLU 169 N -2.87 2.18 3.19 1.61 2.02 0.61 -3.17 118.70 122.27 2rjr s GLU 169 Ca 0.00 -2.36 0.00 0.00 0.02 0.00 0.00 54.97 52.63 2rjr s GLU 169 Cb 0.00 -1.56 0.00 0.00 0.10 0.00 0.00 34.13 32.67 2rjr s GLU 169 CO 0.00 -0.34 0.00 0.41 0.02 0.00 0.00 175.26 175.35 2rjr n GLY 170 N -1.25 -0.02 3.08 -1.39 0.00 -1.26 -2.29 105.19 102.06 2rjr n GLY 170 Ca -0.17 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.79 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 0.56 0.08 1.61 1.51 -1.26 -2.40 117.35 117.45 2rjr s TYR 171 Ca 0.00 -0.86 0.10 0.00 -1.01 0.00 0.00 57.07 55.30 2rjr s TYR 171 Cb 0.00 -0.38 -0.03 0.00 -0.11 0.00 0.00 41.96 41.44 2rjr s TYR 171 CO 0.00 -0.26 -0.26 0.14 -1.11 0.00 0.00 175.55 174.07 2rjr s VAL 172 N -3.05 2.09 -0.08 0.71 -7.23 0.19 -0.60 120.40 112.43 2rjr s VAL 172 Ca 0.01 -1.50 -0.29 0.00 -1.81 0.00 0.00 61.98 58.39 2rjr s VAL 172 Cb 0.02 -1.82 -0.02 0.00 0.56 0.00 0.00 36.38 35.12 2rjr s VAL 172 CO -0.06 0.23 0.98 -0.22 -0.31 0.00 0.00 175.10 175.72 2rjr s LEU 173 N -1.55 4.28 -0.16 1.32 2.96 0.53 -0.17 118.68 125.89 2rjr s LEU 173 Ca 0.12 1.54 -0.04 0.00 -0.22 0.00 0.00 54.13 55.52 2rjr s LEU 173 Cb -0.10 -3.52 0.07 0.00 0.50 0.00 0.00 46.19 43.14 2rjr s LEU 173 CO 0.03 -0.38 0.15 -0.13 -1.32 0.00 0.00 176.35 174.71 2rjr s ARG 174 N 1.68 0.10 -1.47 1.98 0.52 0.83 -4.54 118.95 118.05 2rjr s ARG 174 Ca 0.48 0.16 -0.07 0.00 -0.52 0.00 0.00 55.73 55.78 2rjr s ARG 174 Cb -0.19 -1.26 0.01 0.00 0.52 0.00 0.00 34.95 34.03 2rjr s ARG 174 CO 0.21 -0.59 0.90 -0.25 0.02 0.00 0.00 175.30 175.59 2rjr n ASP 175 N 5.30 -6.24 0.00 0.23 8.00 -1.26 -1.11 116.55 121.47 2rjr n ASP 175 Ca -0.06 -0.42 0.00 0.00 0.71 0.00 0.00 54.79 55.02 2rjr n ASP 175 Cb 0.49 -4.98 0.00 0.00 -0.02 0.00 0.00 41.12 36.62 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 -1.77 0.58 3.42 0.44 0.00 -1.26 -5.00 105.19 101.60 2rjr n GLY 176 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.36 2.25 0.00 1.61 0.52 -0.27 -5.05 118.95 117.66 2rjr s ARG 177 Ca 0.00 -0.85 -0.30 0.00 -0.52 0.00 0.00 55.73 54.06 2rjr s ARG 177 Cb 0.00 -2.22 -0.03 0.00 0.52 0.00 0.00 34.95 33.21 2rjr s ARG 177 CO 0.00 0.58 1.03 -1.25 0.02 0.00 0.00 175.30 175.68 2rjr s PRO 178 N -0.92 4.52 -0.06 3.54 0.04 -1.26 -0.12 135.00 140.74 2rjr s PRO 178 Ca 0.12 1.49 0.04 0.00 0.04 0.00 0.00 61.00 62.70 2rjr s PRO 178 Cb -0.10 -3.45 -0.00 0.00 0.04 0.00 0.00 34.50 30.99 2rjr s PRO 178 CO 0.02 -0.12 -0.19 0.08 0.04 0.00 0.00 177.00 176.82 2rjr s VAL 179 N 1.13 1.64 -0.37 -0.36 1.01 0.75 -4.91 120.40 119.30 2rjr s VAL 179 Ca 0.53 -0.82 -0.42 0.00 0.00 0.00 0.00 61.98 61.28 2rjr s VAL 179 Cb -0.23 -1.41 -0.17 0.00 0.00 0.00 0.00 36.38 34.58 2rjr s VAL 179 CO 0.27 0.47 1.79 1.21 0.00 0.00 0.00 175.10 178.84 2rjr n GLU 180 N 3.24 0.74 -0.25 2.72 2.13 -1.26 -0.64 120.64 127.31 2rjr n GLU 180 Ca -0.19 0.26 0.00 0.00 0.66 0.00 0.00 57.16 57.90 2rjr n GLU 180 Cb 0.53 -1.93 0.13 0.00 0.27 0.00 0.00 31.44 30.44 2rjr n GLU 180 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 2rjr h THR 181 N 5.52 0.92 -0.49 6.31 2.02 -1.72 -2.82 112.91 122.65 2rjr h THR 181 Ca -0.41 -0.24 0.10 0.00 0.77 0.00 0.00 66.41 66.63 2rjr h THR 181 Cb 1.34 0.16 -0.10 0.00 -1.74 0.00 0.00 68.15 67.81 2rjr h THR 181 CO 0.98 0.13 -0.22 0.00 0.37 0.00 0.00 175.52 176.78 2rjr h ALA 182 N 1.40 0.13 -0.68 6.16 0.00 -1.82 -0.44 119.26 124.01 2rjr h ALA 182 Ca 0.34 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.42 2rjr h ALA 182 Cb 0.28 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2rjr h ALA 182 CO -0.22 -0.56 0.43 0.37 0.00 0.00 0.00 179.25 179.26 2rjr h GLN 183 N -0.11 0.91 -0.82 0.00 4.15 -1.85 -1.11 115.11 116.28 2rjr h GLN 183 Ca 0.23 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.55 2rjr h GLN 183 Cb 0.47 -0.20 -0.04 0.00 0.21 0.00 0.00 27.48 27.93 2rjr h GLN 183 CO -0.57 0.63 0.39 0.28 -1.93 0.00 0.00 178.83 177.63 2rjr h VAL 184 N 0.92 1.25 -0.29 2.39 2.07 -1.16 -1.18 116.25 120.25 2rjr h VAL 184 Ca 0.25 -0.71 -0.18 0.00 0.82 0.00 0.00 66.70 66.87 2rjr h VAL 184 Cb -0.06 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 2rjr h VAL 184 CO -0.05 0.30 -0.52 -0.07 0.02 0.00 0.00 177.57 177.26 2rjr h LEU 185 N 1.16 0.96 -0.67 2.57 3.38 -0.88 -1.13 115.31 120.69 2rjr h LEU 185 Ca 0.28 -0.53 0.02 0.00 0.09 0.00 0.00 57.88 57.74 2rjr h LEU 185 Cb 0.12 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 2rjr h LEU 185 CO -0.04 1.30 0.44 0.00 0.09 0.00 0.00 178.44 180.23 2rjr h ALA 186 N 0.68 0.86 0.62 1.53 0.00 -1.00 0.19 119.26 122.15 2rjr h ALA 186 Ca 0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2rjr h ALA 186 Cb 1.13 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.67 2rjr h ALA 186 CO 0.12 0.24 -0.30 0.93 0.00 0.00 0.00 179.25 180.24 2rjr h GLU 187 N 0.88 -0.80 0.00 0.00 5.08 -1.13 -3.01 114.58 115.60 2rjr h GLU 187 Ca 0.26 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2rjr h GLU 187 Cb -0.06 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2rjr h GLU 187 CO -0.07 -0.54 0.00 0.54 -1.00 0.00 0.00 179.01 177.94 2rjr n ARG 188 N -4.58 0.20 -2.84 2.33 1.74 -0.44 -4.84 116.66 108.23 2rjr n ARG 188 Ca -0.10 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 56.94 2rjr n ARG 188 Cb 0.33 -1.44 0.02 0.00 -1.02 0.00 0.00 32.46 30.35 2rjr n ARG 188 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2rjr n GLY 189 N -0.55 -1.00 2.97 -0.13 0.00 -0.47 -5.05 105.19 100.95 2rjr n GLY 189 Ca 0.04 0.38 -0.13 0.00 0.00 0.00 0.00 46.02 46.32 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 -3.10 -0.01 -0.26 -0.61 1.01 -0.07 -5.04 121.20 113.13 2rjr s ILE 190 Ca 0.11 0.05 -0.12 0.00 0.00 0.00 0.00 60.65 60.70 2rjr s ILE 190 Cb -0.01 -0.19 -0.05 0.00 0.01 0.00 0.00 42.46 42.22 2rjr s ILE 190 CO 0.62 0.02 0.21 -0.70 0.00 0.00 0.00 174.94 175.09 2rjr s GLU 191 N 0.37 4.03 0.73 2.79 2.12 -1.26 -4.33 118.70 123.15 2rjr s GLU 191 Ca -0.03 -0.22 -0.16 0.00 0.36 0.00 0.00 54.97 54.92 2rjr s GLU 191 Cb -0.04 -3.60 -0.04 0.00 0.26 0.00 0.00 34.13 30.71 2rjr s GLU 191 CO -0.02 -0.08 0.48 -2.30 -0.54 0.00 0.00 175.26 172.81 2rjr n PRO 192 N 4.71 0.26 -2.62 4.30 -0.02 -1.26 -5.00 135.00 135.38 2rjr n PRO 192 Ca -0.13 0.13 -0.22 0.00 -2.02 0.00 0.00 63.50 61.26 2rjr n PRO 192 Cb 0.52 -1.79 0.05 0.00 -0.02 0.00 0.00 33.50 32.26 2rjr n PRO 192 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2rjr s LEU 193 N 0.06 3.19 -0.06 2.45 1.43 -0.66 -4.97 118.68 120.13 2rjr s LEU 193 Ca 0.64 -0.07 0.05 0.00 -1.03 0.00 0.00 54.13 53.73 2rjr s LEU 193 Cb -0.35 -2.70 -0.01 0.00 0.03 0.00 0.00 46.19 43.16 2rjr s LEU 193 CO 0.59 -1.29 -0.23 -0.70 0.23 0.00 0.00 176.35 174.95 2rjr s GLU 194 N -4.85 2.61 -0.37 1.70 2.12 -1.26 -4.48 118.70 114.16 2rjr s GLU 194 Ca 0.59 -0.87 -0.26 0.00 0.36 0.00 0.00 54.97 54.79 2rjr s GLU 194 Cb -0.09 -2.22 0.02 0.00 0.26 0.00 0.00 34.13 32.09 2rjr s GLU 194 CO 0.40 0.39 0.93 -0.51 -0.54 0.00 0.00 175.26 175.93 2rjr s LEU 195 N -0.19 3.99 0.00 2.70 1.43 -1.26 -5.04 118.68 120.32 2rjr s LEU 195 Ca -0.03 0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 53.64 2rjr s LEU 195 Cb -0.14 -3.26 0.09 0.00 0.03 0.00 0.00 46.19 42.91 2rjr s LEU 195 CO 0.03 -0.86 0.59 0.54 0.23 0.00 0.00 176.35 176.88 2rjr n ARG 196 N 6.79 0.11 -1.55 1.70 5.12 -1.26 -4.11 116.66 123.46 2rjr n ARG 196 Ca 0.07 -1.52 -0.60 0.00 -1.93 0.00 0.00 57.85 53.87 2rjr n ARG 196 Cb 0.48 -0.42 -0.09 0.00 -1.16 0.00 0.00 32.46 31.27 2rjr n ARG 196 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 2rjr n PHE 197 N -2.31 1.23 -0.03 -1.55 3.72 -1.26 -1.51 117.46 115.75 2rjr n PHE 197 Ca 0.09 1.05 0.00 0.00 -0.05 0.00 0.00 57.45 58.54 2rjr n PHE 197 Cb 0.34 -2.04 0.00 0.00 -0.94 0.00 0.00 39.48 36.84 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 2.82 0.00 0.10 -1.08 4.81 -1.26 -4.84 118.16 118.71 2rjr n LYS 198 Ca 0.25 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.68 2rjr n LYS 198 Cb -0.00 -3.18 0.26 0.00 0.02 0.00 0.00 35.03 32.12 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 0.69 0.22 -0.11 1.64 5.08 -1.61 0.56 114.58 121.06 2rjr h GLU 199 Ca 0.00 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 2rjr h GLU 199 Cb 0.00 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 2rjr h GLU 199 CO 0.00 0.56 -0.07 0.78 -1.00 0.00 0.00 179.01 179.28 2rjr h GLY 200 N 1.14 0.26 0.90 -3.84 0.00 -1.82 -2.81 103.07 96.90 2rjr h GLY 200 Ca 0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 2rjr h GLY 200 CO 0.06 0.22 0.10 -2.00 0.00 0.00 0.00 176.54 174.92 2rjr h LEU 201 N -0.14 0.35 -1.46 3.11 5.85 -1.83 -2.96 115.31 118.23 2rjr h LEU 201 Ca 0.02 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.64 2rjr h LEU 201 Cb 0.55 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 2rjr h LEU 201 CO 0.02 0.42 0.45 0.00 -0.34 0.00 0.00 178.44 178.99 2rjr h ALA 202 N 0.94 1.79 0.00 1.25 0.00 -0.93 0.23 119.26 122.54 2rjr h ALA 202 Ca 0.08 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 2rjr h ALA 202 Cb 0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2rjr h ALA 202 CO -0.01 0.10 -0.50 -0.07 0.00 0.00 0.00 179.25 178.77 2rjr h LEU 203 N 0.65 0.00 0.00 0.00 3.38 -1.33 -3.34 115.31 114.67 2rjr h LEU 203 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2rjr h LEU 203 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2rjr h LEU 203 CO -0.10 0.50 -0.54 2.30 0.09 0.00 0.00 178.44 180.69 2rjr n ILE 204 N -3.92 0.00 -2.05 1.22 -5.35 -0.69 -4.81 119.36 103.76 2rjr n ILE 204 Ca -0.01 -0.28 -0.41 0.00 -0.27 0.00 0.00 62.75 61.78 2rjr n ILE 204 Cb 0.52 0.91 -0.00 0.00 -1.74 0.00 0.00 39.64 39.33 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 -1.28 7.43 -1.82 7.28 5.15 0.74 -3.95 115.26 128.80 2rjr n ASN 205 Ca 0.01 -3.12 -0.04 0.00 -0.60 0.00 0.00 54.58 50.83 2rjr n ASN 205 Cb 0.15 -1.39 0.01 0.00 -0.53 0.00 0.00 39.78 38.02 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 2.00 1.71 1.54 8.20 0.00 -1.26 -3.53 105.19 113.86 2rjr n GLY 206 Ca 0.58 -1.18 0.10 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.25 1.67 0.14 2.61 -2.24 -1.26 -1.93 114.28 113.02 2rjr n THR 207 Ca -0.03 -1.16 0.19 0.00 -2.27 0.00 0.00 64.05 60.77 2rjr n THR 207 Cb 0.27 0.21 0.78 0.00 -2.10 0.00 0.00 70.33 69.48 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 4.14 0.00 0.50 3.42 0.02 -1.91 0.16 113.55 119.88 2rjr h SER 208 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2rjr h SER 208 Cb 1.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.91 2rjr h SER 208 CO 0.18 0.00 -0.24 1.23 -1.14 0.00 0.00 176.83 176.87 2rjr h GLY 209 N 0.00 -0.70 1.70 -3.77 0.00 -1.86 -0.20 103.07 98.24 2rjr h GLY 209 Ca 0.15 0.26 -0.12 0.00 0.00 0.00 0.00 47.33 47.61 2rjr h GLY 209 CO -0.00 -0.25 -0.45 0.00 0.00 0.00 0.00 176.54 175.84 2rjr h MET 210 N -1.04 0.33 -0.14 4.80 -0.00 -1.77 -2.22 114.93 114.88 2rjr h MET 210 Ca -0.07 -0.17 -0.20 0.00 -0.00 0.00 0.00 59.70 59.26 2rjr h MET 210 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.20 2rjr h MET 210 CO 0.11 0.71 -0.73 1.15 -0.00 0.00 0.00 176.91 178.15 2rjr h THR 211 N 0.27 1.31 -0.08 -0.10 2.02 -0.75 0.28 112.91 115.87 2rjr h THR 211 Ca 0.02 -2.00 -0.03 0.00 0.77 0.00 0.00 66.41 65.17 2rjr h THR 211 Cb 0.89 1.98 -0.00 0.00 -1.74 0.00 0.00 68.15 69.29 2rjr h THR 211 CO 0.07 0.62 -0.06 1.23 0.37 0.00 0.00 175.52 177.75 2rjr h GLY 212 N 0.85 0.19 1.18 2.16 0.00 -0.99 -1.56 103.07 104.90 2rjr h GLY 212 Ca -0.04 -0.19 -0.14 0.00 0.00 0.00 0.00 47.33 46.96 2rjr h GLY 212 CO 0.14 0.17 -0.29 -2.00 0.00 0.00 0.00 176.54 174.57 2rjr h LEU 213 N -0.24 0.96 -1.45 3.11 5.85 -1.46 -2.87 115.31 119.22 2rjr h LEU 213 Ca 0.01 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.32 2rjr h LEU 213 Cb 0.56 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 2rjr h LEU 213 CO 0.02 1.18 0.12 1.23 -0.34 0.00 0.00 178.44 180.64 2rjr h GLY 214 N 0.87 0.52 0.92 3.75 0.00 -0.44 -1.67 103.07 107.01 2rjr h GLY 214 Ca 0.09 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 2rjr h GLY 214 CO 0.08 0.23 0.10 1.76 0.00 0.00 0.00 176.54 178.71 2rjr h SER 215 N 0.48 0.52 0.06 0.19 0.02 -1.06 -0.70 113.55 113.07 2rjr h SER 215 Ca 0.12 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2rjr h SER 215 Cb 0.13 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.53 2rjr h SER 215 CO -0.01 0.60 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.19 2rjr h LEU 216 N 0.42 -0.06 -0.21 5.07 3.38 -1.34 -1.75 115.31 120.82 2rjr h LEU 216 Ca 0.11 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.08 2rjr h LEU 216 Cb 0.28 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2rjr h LEU 216 CO -0.00 -0.01 -0.02 0.58 0.09 0.00 0.00 178.44 179.09 2rjr h VAL 217 N -0.12 0.83 -0.53 1.22 2.07 -1.20 -0.93 116.25 117.60 2rjr h VAL 217 Ca -0.01 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 2rjr h VAL 217 Cb 0.10 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 2rjr h VAL 217 CO 0.01 0.01 0.16 0.58 0.02 0.00 0.00 177.57 178.36 2rjr h VAL 218 N 0.05 1.23 -0.58 2.57 2.07 -1.07 0.61 116.25 121.12 2rjr h VAL 218 Ca 0.10 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 2rjr h VAL 218 Cb 0.13 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 2rjr h VAL 218 CO -0.18 0.29 0.31 1.23 0.02 0.00 0.00 177.57 179.24 2rjr h GLY 219 N 0.74 0.88 1.56 2.17 0.00 -1.15 -1.62 103.07 105.64 2rjr h GLY 219 Ca 0.17 -0.41 -0.12 0.00 0.00 0.00 0.00 47.33 46.97 2rjr h GLY 219 CO -0.00 0.39 -0.39 3.21 0.00 0.00 0.00 176.54 179.74 2rjr h ARG 220 N 0.79 0.49 -0.65 4.80 3.08 -0.86 -2.83 114.38 119.20 2rjr h ARG 220 Ca 0.20 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 2rjr h ARG 220 Cb 0.06 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 2rjr h ARG 220 CO -0.03 0.81 0.25 0.00 -1.07 0.00 0.00 179.97 179.92 2rjr h ALA 221 N 1.17 1.20 -0.57 0.04 0.00 0.66 0.13 119.26 121.89 2rjr h ALA 221 Ca 0.04 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 2rjr h ALA 221 Cb 0.87 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2rjr h ALA 221 CO 0.07 0.58 -0.01 -0.07 0.00 0.00 0.00 179.25 179.82 2rjr h LEU 222 N 0.95 0.97 -1.11 0.00 3.38 -1.12 0.22 115.31 118.59 2rjr h LEU 222 Ca 0.22 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 2rjr h LEU 222 Cb 0.21 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2rjr h LEU 222 CO -0.02 1.03 -0.34 -0.33 0.09 0.00 0.00 178.44 178.87 2rjr h GLU 223 N 0.91 0.18 -0.25 1.13 5.08 -1.17 -1.67 114.58 118.78 2rjr h GLU 223 Ca 0.16 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.29 2rjr h GLU 223 Cb 0.55 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2rjr h GLU 223 CO 0.03 0.51 -0.50 0.37 -1.00 0.00 0.00 179.01 178.42 2rjr h GLN 224 N 0.16 0.68 -0.91 2.33 4.15 -0.09 -0.61 115.11 120.82 2rjr h GLN 224 Ca 0.02 -0.40 -0.02 0.00 0.77 0.00 0.00 58.65 59.02 2rjr h GLN 224 Cb 0.69 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.37 2rjr h GLN 224 CO 0.05 1.02 0.51 0.00 -1.93 0.00 0.00 178.83 178.47 2rjr h ALA 225 N 0.91 1.16 -0.49 3.38 0.00 -0.50 -0.64 119.26 123.08 2rjr h ALA 225 Ca 0.02 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 2rjr h ALA 225 Cb 1.05 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2rjr h ALA 225 CO 0.10 0.66 -0.20 1.96 0.00 0.00 0.00 179.25 181.77 2rjr h GLN 226 N 1.26 1.01 0.00 0.00 4.20 -0.95 -2.28 115.11 118.36 2rjr h GLN 226 Ca 0.32 -0.42 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 2rjr h GLN 226 Cb 0.01 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 2rjr h GLN 226 CO -0.05 1.10 -0.07 1.96 -0.67 0.00 0.00 178.83 181.10 2rjr h GLN 227 N 0.87 0.00 -0.03 1.46 4.20 -0.70 -0.55 115.11 120.36 2rjr h GLN 227 Ca 0.12 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.58 2rjr h GLN 227 Cb 0.78 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.57 2rjr h GLN 227 CO 0.06 0.07 -0.94 0.00 -0.67 0.00 0.00 178.83 177.35 2rjr h ALA 228 N 1.93 0.16 -0.56 3.87 0.00 -0.92 -2.47 119.26 121.27 2rjr h ALA 228 Ca -0.00 -0.66 -0.08 0.00 0.00 0.00 0.00 54.91 54.17 2rjr h ALA 228 Cb 0.68 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2rjr h ALA 228 CO 0.01 0.65 0.04 0.93 0.00 0.00 0.00 179.25 180.87 2rjr h GLU 229 N 0.38 0.93 -0.13 0.00 5.08 -0.97 -0.74 114.58 119.13 2rjr h GLU 229 Ca -0.11 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 2rjr h GLU 229 Cb 1.59 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.73 2rjr h GLU 229 CO 0.19 0.90 0.06 0.82 -1.00 0.00 0.00 179.01 179.97 2rjr h ILE 230 N 0.87 1.12 -0.05 3.13 2.04 -1.05 -0.84 117.51 122.73 2rjr h ILE 230 Ca 0.17 -0.36 -0.14 0.00 1.00 0.00 0.00 64.86 65.52 2rjr h ILE 230 Cb 0.46 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 2rjr h ILE 230 CO 0.02 0.11 -0.62 1.62 0.00 0.00 0.00 178.15 179.28 2rjr h VAL 231 N 0.08 1.41 -0.63 1.67 3.04 -1.36 -2.66 116.25 117.79 2rjr h VAL 231 Ca 0.04 -2.04 -0.03 0.00 -1.01 0.00 0.00 66.70 63.67 2rjr h VAL 231 Cb 0.13 2.06 -0.03 0.00 -2.01 0.00 0.00 31.29 31.43 2rjr h VAL 231 CO -0.01 0.60 0.28 0.74 -1.01 0.00 0.00 177.57 178.18 2rjr h THR 232 N 0.13 1.22 -0.46 3.17 2.02 -0.96 -0.39 112.91 117.64 2rjr h THR 232 Ca -0.01 -0.65 -0.02 0.00 0.77 0.00 0.00 66.41 66.50 2rjr h THR 232 Cb 1.12 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 2rjr h THR 232 CO 0.09 0.26 0.20 0.00 0.37 0.00 0.00 175.52 176.45 2rjr h ALA 233 N 1.12 0.59 -0.25 6.16 0.00 -1.02 0.23 119.26 126.09 2rjr h ALA 233 Ca 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2rjr h ALA 233 Cb 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2rjr h ALA 233 CO -0.02 0.17 0.16 1.25 0.00 0.00 0.00 179.25 180.81 2rjr h LEU 234 N 0.59 0.29 -0.27 0.00 5.85 -1.14 -1.95 115.31 118.68 2rjr h LEU 234 Ca 0.15 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.87 2rjr h LEU 234 Cb 0.15 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2rjr h LEU 234 CO -0.02 0.23 0.12 0.25 -0.34 0.00 0.00 178.44 178.68 2rjr h LEU 235 N 0.33 0.16 -1.06 2.25 5.85 -0.81 0.05 115.31 122.07 2rjr h LEU 235 Ca 0.09 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.93 2rjr h LEU 235 Cb -0.02 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 40.93 2rjr h LEU 235 CO -0.02 0.13 0.62 0.40 -0.34 0.00 0.00 178.44 179.23 2rjr h ILE 236 N 0.25 0.96 -0.29 4.05 2.04 -0.73 -0.34 117.51 123.46 2rjr h ILE 236 Ca 0.11 -0.34 -0.15 0.00 1.00 0.00 0.00 64.86 65.48 2rjr h ILE 236 Cb 0.05 -0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.01 2rjr h ILE 236 CO -0.09 0.18 -0.39 -0.33 0.00 0.00 0.00 178.15 177.52 2rjr h GLU 237 N 1.00 0.78 -0.65 2.37 5.08 -0.73 0.33 114.58 122.76 2rjr h GLU 237 Ca 0.46 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2rjr h GLU 237 Cb 0.41 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 2rjr h GLU 237 CO -0.22 1.08 0.42 0.00 -1.00 0.00 0.00 179.01 179.28 2rjr h ALA 238 N 0.69 0.82 -0.48 3.43 0.00 0.12 -1.83 119.26 122.01 2rjr h ALA 238 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2rjr h ALA 238 Cb 0.98 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2rjr h ALA 238 CO 0.09 0.27 0.00 1.33 0.00 0.00 0.00 179.25 180.94 2rjr n VAL 239 N -4.61 0.74 -3.75 0.00 0.24 -0.25 -4.96 118.33 105.74 2rjr n VAL 239 Ca 0.05 -0.67 -0.31 0.00 -2.04 0.00 0.00 64.34 61.37 2rjr n VAL 239 Cb 0.03 0.28 0.03 0.00 -1.47 0.00 0.00 33.84 32.71 2rjr n VAL 239 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2rjr n ARG 240 N 0.89 -1.72 -1.72 7.34 1.74 -0.34 -4.97 116.66 117.88 2rjr n ARG 240 Ca 0.16 0.43 -0.29 0.00 -0.77 0.00 0.00 57.85 57.38 2rjr n ARG 240 Cb 0.44 -4.16 0.14 0.00 -1.02 0.00 0.00 32.46 27.87 2rjr n ARG 240 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2rjr s GLY 241 N -3.68 1.63 0.36 -0.13 0.00 0.10 -4.51 107.32 101.09 2rjr s GLY 241 Ca 0.37 -0.77 -0.19 0.00 0.00 0.00 0.00 44.72 44.13 2rjr s GLY 241 CO 0.87 -0.16 0.86 -0.45 0.00 0.00 0.00 173.10 174.22 2rjr s SER 242 N -4.42 6.94 0.03 1.64 0.15 -1.26 -2.11 113.70 114.66 2rjr s SER 242 Ca 0.66 1.54 0.24 0.00 0.70 0.00 0.00 55.95 59.09 2rjr s SER 242 Cb -0.10 -2.48 0.27 0.00 -1.71 0.00 0.00 66.02 62.00 2rjr s SER 242 CO 0.52 -0.24 1.24 0.35 1.20 0.00 0.00 173.24 176.30 2rjr n THR 243 N -0.30 0.08 -0.28 6.45 -2.24 -0.67 -4.45 114.28 112.86 2rjr n THR 243 Ca 0.04 -0.09 0.10 0.00 -2.27 0.00 0.00 64.05 61.84 2rjr n THR 243 Cb 0.53 0.30 0.25 0.00 -2.10 0.00 0.00 70.33 69.31 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 0.00 0.11 -0.02 3.42 0.87 -1.94 -1.72 113.55 114.28 2rjr h SER 244 Ca 0.00 0.16 0.01 0.00 -1.23 0.00 0.00 61.79 60.73 2rjr h SER 244 Cb 0.58 0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.74 2rjr h SER 244 CO 0.00 -0.05 0.06 -0.65 -0.53 0.00 0.00 176.83 175.66 2rjr h PRO 245 N 0.30 0.00 -0.21 2.24 0.11 -1.89 -2.61 132.00 129.94 2rjr h PRO 245 Ca 0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.61 2rjr h PRO 245 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2rjr h PRO 245 CO -0.56 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.42 2rjr n PHE 246 N -3.26 0.25 -1.76 0.65 3.72 -0.65 -4.89 117.46 111.51 2rjr n PHE 246 Ca -0.02 -0.12 -0.42 0.00 -0.05 0.00 0.00 57.45 56.83 2rjr n PHE 246 Cb 0.14 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.66 2rjr n PHE 246 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2rjr s LEU 247 N -1.75 4.36 0.38 4.37 1.43 -0.99 -4.74 118.68 121.73 2rjr s LEU 247 Ca 0.33 2.90 0.14 0.00 -1.03 0.00 0.00 54.13 56.48 2rjr s LEU 247 Cb 0.21 -3.62 0.97 0.00 0.03 0.00 0.00 46.19 43.79 2rjr s LEU 247 CO 0.31 -0.94 1.81 0.00 0.23 0.00 0.00 176.35 177.77 2rjr h ALA 248 N 5.77 2.04 -0.83 4.21 0.00 -1.93 -2.01 119.26 126.51 2rjr h ALA 248 Ca -0.45 0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.55 2rjr h ALA 248 Cb 1.21 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 2rjr h ALA 248 CO 0.87 -0.37 0.54 1.05 0.00 0.00 0.00 179.25 181.34 2rjr h GLU 249 N 0.53 0.94 0.00 0.00 9.09 -1.97 1.00 114.58 124.17 2rjr h GLU 249 Ca 0.53 -0.06 0.00 0.00 0.05 0.00 0.00 59.36 59.88 2rjr h GLU 249 Cb 1.14 -0.21 0.00 0.00 -1.65 0.00 0.00 28.75 28.03 2rjr h GLU 249 CO -0.26 0.62 0.00 0.41 0.05 0.00 0.00 179.01 179.83 2rjr n GLY 250 N -1.41 -1.17 0.99 1.06 0.00 -0.75 -1.40 105.19 102.50 2rjr n GLY 250 Ca 0.12 0.09 -0.00 0.00 0.00 0.00 0.00 46.02 46.22 2rjr n GLY 250 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2rjr n HIS 251 N -2.16 0.00 -0.29 1.61 8.25 -0.67 -3.28 115.22 118.67 2rjr n HIS 251 Ca 0.02 0.00 0.21 0.00 -0.26 0.00 0.00 57.72 57.69 2rjr n HIS 251 Cb 0.19 -0.01 0.51 0.00 1.12 0.00 0.00 29.99 31.80 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 -0.02 0.43 0.00 0.41 5.19 -1.03 -1.32 116.42 120.09 2rjr h ASP 252 Ca 0.00 0.06 -0.07 0.00 -0.62 0.00 0.00 57.03 56.40 2rjr h ASP 252 Cb 0.02 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 2rjr h ASP 252 CO 0.00 0.13 -1.12 -0.38 -3.12 0.00 0.00 179.24 174.75 2rjr n ILE 253 N -4.57 1.43 -0.18 0.35 5.41 -1.17 -4.56 119.36 116.07 2rjr n ILE 253 Ca 0.23 0.09 -0.08 0.00 1.00 0.00 0.00 62.75 63.98 2rjr n ILE 253 Cb 0.80 -2.16 0.06 0.00 -0.71 0.00 0.00 39.64 37.64 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 -0.84 0.88 -1.29 -1.39 0.00 -1.30 -3.39 119.26 111.92 2rjr h ALA 254 Ca -0.11 -0.32 -0.39 0.00 0.00 0.00 0.00 54.91 54.09 2rjr h ALA 254 Cb 0.97 -0.21 -0.27 0.00 0.00 0.00 0.00 17.79 18.28 2rjr h ALA 254 CO -0.07 0.65 -0.79 -2.13 0.00 0.00 0.00 179.25 176.91 2rjr n ARG 255 N -4.17 0.60 -0.13 0.00 0.63 -0.97 -4.97 116.66 107.65 2rjr n ARG 255 Ca 0.02 -2.56 -0.01 0.00 -0.92 0.00 0.00 57.85 54.39 2rjr n ARG 255 Cb 0.36 -1.42 -0.01 0.00 0.45 0.00 0.00 32.46 31.83 2rjr n ARG 255 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2rjr n PRO 256 N 2.02 0.27 -2.41 -0.14 -0.04 -0.54 -4.69 135.00 129.47 2rjr n PRO 256 Ca 0.19 -0.08 -0.42 0.00 -0.04 0.00 0.00 63.50 63.15 2rjr n PRO 256 Cb 0.56 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.49 2rjr n PRO 256 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2rjr s HIS 257 N 2.07 3.45 0.16 0.54 3.76 -1.26 -4.92 115.29 119.08 2rjr s HIS 257 Ca 0.06 1.36 -0.20 0.00 -0.15 0.00 0.00 55.06 56.13 2rjr s HIS 257 Cb 0.03 -3.41 0.07 0.00 1.11 0.00 0.00 32.58 30.37 2rjr s HIS 257 CO 0.00 -1.20 1.65 1.49 -0.85 0.00 0.00 174.74 175.83 2rjr h GLU 258 N 6.16 -0.12 -0.72 1.40 4.81 -1.93 -0.92 114.58 123.25 2rjr h GLU 258 Ca -0.43 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.79 2rjr h GLU 258 Cb 1.21 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.59 2rjr h GLU 258 CO 0.78 -0.08 0.38 0.78 -0.73 0.00 0.00 179.01 180.14 2rjr h GLY 259 N -0.13 1.08 1.10 1.92 0.00 -1.92 -1.98 103.07 103.16 2rjr h GLY 259 Ca 0.17 -0.50 -0.08 0.00 0.00 0.00 0.00 47.33 46.92 2rjr h GLY 259 CO -0.41 0.47 0.09 -1.61 0.00 0.00 0.00 176.54 175.08 2rjr h GLN 260 N 1.02 1.09 -0.56 4.80 4.15 -1.49 -1.64 115.11 122.47 2rjr h GLN 260 Ca 0.25 -0.30 -0.03 0.00 0.77 0.00 0.00 58.65 59.34 2rjr h GLN 260 Cb 0.05 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 2rjr h GLN 260 CO -0.04 1.01 0.22 0.82 -1.93 0.00 0.00 178.83 178.91 2rjr h ILE 261 N 1.02 1.22 -0.50 2.39 2.04 -0.75 -2.48 117.51 120.45 2rjr h ILE 261 Ca 0.20 -0.70 -0.07 0.00 1.00 0.00 0.00 64.86 65.29 2rjr h ILE 261 Cb 0.46 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 2rjr h ILE 261 CO 0.02 0.27 0.05 0.44 0.00 0.00 0.00 178.15 178.92 2rjr h ASP 262 N 0.77 0.82 -0.33 1.72 3.32 -1.01 -1.77 116.42 119.95 2rjr h ASP 262 Ca 0.19 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 2rjr h ASP 262 Cb 0.20 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2rjr h ASP 262 CO -0.02 0.90 0.10 0.74 -1.72 0.00 0.00 179.24 179.25 2rjr h THR 263 N 0.72 1.21 -0.44 0.35 2.02 -1.25 -0.62 112.91 114.90 2rjr h THR 263 Ca 0.15 -0.67 0.01 0.00 0.77 0.00 0.00 66.41 66.67 2rjr h THR 263 Cb 0.45 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 2rjr h THR 263 CO 0.02 0.23 0.28 0.00 0.37 0.00 0.00 175.52 176.42 2rjr h ALA 264 N 0.94 0.56 -0.72 6.16 0.00 -1.38 0.68 119.26 125.49 2rjr h ALA 264 Ca 0.11 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2rjr h ALA 264 Cb 0.25 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2rjr h ALA 264 CO -0.00 -0.01 0.47 0.00 0.00 0.00 0.00 179.25 179.71 2rjr h ALA 265 N 1.17 0.92 -0.52 0.00 0.00 -1.14 -0.39 119.26 119.30 2rjr h ALA 265 Ca 0.17 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2rjr h ALA 265 Cb -0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 2rjr h ALA 265 CO -0.05 0.32 0.11 -0.91 0.00 0.00 0.00 179.25 178.72 2rjr h ASN 266 N 0.96 0.81 -0.74 0.00 2.35 -0.59 -1.69 115.58 116.68 2rjr h ASN 266 Ca 0.27 -0.24 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 2rjr h ASN 266 Cb -0.10 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.02 2rjr h ASN 266 CO -0.06 0.84 0.37 0.24 -1.65 0.00 0.00 177.43 177.17 2rjr h MET 267 N 0.73 1.06 -0.49 0.81 2.86 -0.43 0.15 114.93 119.63 2rjr h MET 267 Ca 0.16 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 2rjr h MET 267 Cb 0.36 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 2rjr h MET 267 CO 0.01 0.81 0.17 0.00 1.06 0.00 0.00 176.91 178.96 2rjr h ARG 268 N 1.04 0.74 -0.59 1.72 3.08 -0.91 -1.89 114.38 117.57 2rjr h ARG 268 Ca 0.26 -0.15 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 2rjr h ARG 268 Cb 0.09 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 2rjr h ARG 268 CO -0.04 0.68 0.03 0.00 -1.07 0.00 0.00 179.97 179.57 2rjr h ALA 269 N 1.03 0.79 -0.65 0.04 0.00 -0.92 -2.29 119.26 117.26 2rjr h ALA 269 Ca 0.16 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 2rjr h ALA 269 Cb 0.23 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2rjr h ALA 269 CO -0.01 0.61 0.10 -0.07 0.00 0.00 0.00 179.25 179.88 2rjr h LEU 270 N 0.92 1.03 -1.50 0.00 3.38 -0.55 -3.02 115.31 115.58 2rjr h LEU 270 Ca 0.17 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2rjr h LEU 270 Cb 0.52 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2rjr h LEU 270 CO 0.02 1.04 0.00 0.23 0.09 0.00 0.00 178.44 179.82 2rjr n MET 271 N -4.24 1.97 -1.88 1.13 2.81 -0.72 -4.34 117.12 111.85 2rjr n MET 271 Ca 0.04 -1.47 -0.42 0.00 -1.81 0.00 0.00 57.70 54.04 2rjr n MET 271 Cb 0.29 -1.41 -0.03 0.00 -0.71 0.00 0.00 33.22 31.37 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 -1.63 4.19 0.00 0.03 3.00 -0.87 -2.31 118.95 121.37 2rjr s ARG 272 Ca 0.33 2.42 0.00 0.00 -1.00 0.00 0.00 55.73 57.48 2rjr s ARG 272 Cb 0.18 -3.18 0.00 0.00 0.00 0.00 0.00 34.95 31.95 2rjr s ARG 272 CO 0.26 -0.65 0.00 0.41 0.00 0.00 0.00 175.30 175.31 2rjr n GLY 273 N 3.83 0.76 3.76 8.12 0.00 -1.26 -4.29 105.19 116.11 2rjr n GLY 273 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.21 7.55 0.00 1.61 0.15 -0.98 -4.39 113.70 115.44 2rjr s SER 274 Ca 0.00 1.87 0.22 0.00 0.70 0.00 0.00 55.95 58.74 2rjr s SER 274 Cb 0.00 -2.58 0.10 0.00 -1.71 0.00 0.00 66.02 61.82 2rjr s SER 274 CO 0.00 0.14 1.14 0.61 1.20 0.00 0.00 173.24 176.33 2rjr n GLY 275 N 1.37 0.49 0.10 9.45 0.00 -0.27 -4.42 105.19 111.92 2rjr n GLY 275 Ca -0.02 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.25 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 0.69 0.82 -4.75 0.99 4.77 -1.17 -4.96 117.00 113.38 2rjr n LEU 276 Ca 0.11 0.04 -0.34 0.00 -0.03 0.00 0.00 56.01 55.79 2rjr n LEU 276 Cb 0.51 0.11 0.05 0.00 -2.33 0.00 0.00 43.42 41.76 2rjr n LEU 276 CO 0.20 0.59 0.78 0.42 -1.33 0.00 0.00 177.39 178.04 2rjr s THR 277 N -2.51 2.89 -0.03 -5.08 -4.23 -1.26 -4.50 115.64 100.91 2rjr s THR 277 Ca -0.15 0.45 0.07 0.00 -1.18 0.00 0.00 61.69 60.89 2rjr s THR 277 Cb 0.07 -3.02 -0.02 0.00 1.34 0.00 0.00 72.50 70.87 2rjr s THR 277 CO 0.78 -0.21 -0.25 0.68 -0.54 0.00 0.00 174.62 175.08 2rjr s VAL 278 N -2.07 1.96 0.34 2.29 -7.23 -0.90 -4.99 120.40 109.80 2rjr s VAL 278 Ca 0.71 -1.05 -0.15 0.00 -1.81 0.00 0.00 61.98 59.68 2rjr s VAL 278 Cb -0.25 -1.63 -0.09 0.00 0.56 0.00 0.00 36.38 34.97 2rjr s VAL 278 CO 0.39 0.55 0.75 -1.61 -0.31 0.00 0.00 175.10 174.87 2rjr s GLU 279 N -0.51 3.98 0.27 4.82 2.02 -1.26 -1.68 118.70 126.34 2rjr s GLU 279 Ca 0.07 0.66 -0.01 0.00 0.02 0.00 0.00 54.97 55.71 2rjr s GLU 279 Cb -0.10 -2.42 0.53 0.00 0.10 0.00 0.00 34.13 32.24 2rjr s GLU 279 CO -0.00 0.13 1.78 1.25 0.02 0.00 0.00 175.26 178.44 2rjr h HIS 280 N 2.12 0.87 -0.95 1.61 -0.00 -1.96 -0.36 115.15 116.49 2rjr h HIS 280 Ca -0.48 0.03 0.11 0.00 -0.00 0.00 0.00 60.37 60.04 2rjr h HIS 280 Cb 1.18 -0.26 -0.08 0.00 -0.00 0.00 0.00 27.41 28.25 2rjr h HIS 280 CO 0.62 0.26 0.58 0.00 -0.00 0.00 0.00 177.93 179.39 2rjr h ALA 281 N 1.54 1.41 -0.37 5.26 0.00 -2.00 -1.08 119.26 124.02 2rjr h ALA 281 Ca 0.47 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.24 2rjr h ALA 281 Cb 0.59 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2rjr h ALA 281 CO -0.33 0.19 -0.39 -0.44 0.00 0.00 0.00 179.25 178.29 2rjr h ASP 282 N 0.94 0.98 -0.10 0.00 3.32 -1.47 -2.65 116.42 117.44 2rjr h ASP 282 Ca 0.47 -0.47 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2rjr h ASP 282 Cb 0.44 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 2rjr h ASP 282 CO -0.26 1.25 0.03 -0.07 -1.72 0.00 0.00 179.24 178.47 2rjr h LEU 283 N 0.73 0.15 -1.22 1.55 3.38 -0.68 -0.70 115.31 118.52 2rjr h LEU 283 Ca 0.06 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 2rjr h LEU 283 Cb 0.98 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 2rjr h LEU 283 CO 0.10 0.32 -0.00 0.08 0.09 0.00 0.00 178.44 179.03 2rjr h ARG 284 N -0.03 0.53 -0.20 1.13 0.11 -1.29 -0.15 114.38 114.47 2rjr h ARG 284 Ca 0.03 -0.11 -0.07 0.00 0.10 0.00 0.00 59.98 59.93 2rjr h ARG 284 Cb 0.23 -0.08 -0.00 0.00 1.11 0.00 0.00 29.97 31.23 2rjr h ARG 284 CO -0.00 0.56 -0.14 0.00 0.10 0.00 0.00 179.97 180.48 2rjr h ARG 285 N 0.51 0.46 -0.09 0.08 3.08 -1.36 0.24 114.38 117.31 2rjr h ARG 285 Ca 0.11 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 2rjr h ARG 285 Cb 0.34 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 2rjr h ARG 285 CO 0.01 0.77 -0.07 1.49 -1.07 0.00 0.00 179.97 181.10 2rjr h GLU 286 N 0.15 0.13 0.14 0.04 4.81 -0.82 -1.88 114.58 117.14 2rjr h GLU 286 Ca 0.04 -0.02 -0.28 0.00 -0.13 0.00 0.00 59.36 58.97 2rjr h GLU 286 Cb 0.66 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.03 2rjr h GLU 286 CO 0.04 0.21 -1.26 1.25 -0.73 0.00 0.00 179.01 178.53 2rjr h LEU 287 N 0.13 0.50 -1.00 1.64 5.85 -0.75 -2.96 115.31 118.73 2rjr h LEU 287 Ca 0.03 -0.53 -0.08 0.00 0.84 0.00 0.00 57.88 58.14 2rjr h LEU 287 Cb 0.22 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 2rjr h LEU 287 CO 0.01 1.40 -0.12 -0.61 -0.34 0.00 0.00 178.44 178.79 2rjr h GLN 288 N 0.10 0.59 -0.03 1.25 5.75 0.05 -2.28 115.11 120.53 2rjr h GLN 288 Ca -0.15 -0.18 -0.15 0.00 -0.15 0.00 0.00 58.65 58.02 2rjr h GLN 288 Cb 1.97 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 30.45 2rjr h GLN 288 CO 0.21 0.70 -0.67 0.87 -2.65 0.00 0.00 178.83 177.29 2rjr h LYS 289 N 0.54 0.14 0.00 1.69 1.57 -1.43 -3.07 116.57 116.02 2rjr h LYS 289 Ca 0.10 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2rjr h LYS 289 Cb 0.52 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2rjr h LYS 289 CO 0.03 0.76 0.00 0.22 -0.57 0.00 0.00 179.45 179.89 2rjr h ASP 290 N 0.10 0.00 -3.54 0.86 1.82 -1.28 -3.43 116.42 110.94 2rjr h ASP 290 Ca -0.01 0.00 -0.52 0.00 -0.39 0.00 0.00 57.03 56.10 2rjr h ASP 290 Cb 1.20 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.18 2rjr h ASP 290 CO 0.10 0.00 0.20 -0.54 -1.61 0.00 0.00 179.24 177.39 2rjr s LYS 291 N -3.34 4.60 0.26 0.28 1.02 -0.90 -5.06 119.74 116.60 2rjr s LYS 291 Ca 0.06 1.20 0.07 0.00 0.02 0.00 0.00 55.97 57.31 2rjr s LYS 291 Cb 0.09 -3.27 -0.03 0.00 -0.52 0.00 0.00 37.83 34.09 2rjr s LYS 291 CO 0.56 0.54 0.22 -1.21 -0.92 0.00 0.00 175.35 174.54 2rjr s GLU 292 N -1.04 2.96 0.03 1.68 8.01 -1.26 -4.97 118.70 124.11 2rjr s GLU 292 Ca 0.37 -1.04 0.27 0.00 0.01 0.00 0.00 54.97 54.58 2rjr s GLU 292 Cb -0.23 -2.59 0.90 0.00 -4.31 0.00 0.00 34.13 27.90 2rjr s GLU 292 CO 0.27 0.38 1.71 0.00 0.01 0.00 0.00 175.26 177.63 2rjr n ALA 293 N -1.22 2.74 1.21 5.21 0.00 -1.26 -4.09 120.51 123.10 2rjr n ALA 293 Ca -0.07 -0.18 0.13 0.00 0.00 0.00 0.00 53.44 53.31 2rjr n ALA 293 Cb 0.58 -1.34 0.27 0.00 0.00 0.00 0.00 19.45 18.96 2rjr n ALA 293 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rjr n GLY 294 N 1.47 0.11 3.65 0.00 0.00 -1.26 -4.89 105.19 104.26 2rjr n GLY 294 Ca 0.06 -0.54 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 2rjr n GLY 294 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rjr s LYS 295 N -2.22 4.07 0.10 1.61 1.02 -1.26 -4.98 119.74 118.08 2rjr s LYS 295 Ca 0.28 -0.17 -0.11 0.00 0.02 0.00 0.00 55.97 56.00 2rjr s LYS 295 Cb 0.20 -3.56 -0.18 0.00 -0.52 0.00 0.00 37.83 33.77 2rjr s LYS 295 CO 0.42 -0.01 1.24 -0.44 -0.92 0.00 0.00 175.35 175.64 2rjr h ASP 296 N 7.65 0.80 -3.35 2.83 5.19 -1.92 -3.44 116.42 124.19 2rjr h ASP 296 Ca -0.37 -0.62 -0.49 0.00 -0.62 0.00 0.00 57.03 54.93 2rjr h ASP 296 Cb 1.17 -0.24 -0.35 0.00 0.18 0.00 0.00 39.33 40.09 2rjr h ASP 296 CO 0.65 1.42 -0.80 -0.69 -3.12 0.00 0.00 179.24 176.71 2rjr s VAL 297 N -3.37 0.91 -0.02 -1.35 1.01 -1.26 -5.14 120.40 111.19 2rjr s VAL 297 Ca -0.09 -0.30 -0.10 0.00 0.00 0.00 0.00 61.98 61.49 2rjr s VAL 297 Cb 0.08 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.58 2rjr s VAL 297 CO 0.90 0.32 0.20 0.00 0.00 0.00 0.00 175.10 176.53 2rjr s GLN 298 N 1.09 0.50 0.45 2.72 -2.07 -1.26 -5.16 119.66 115.93 2rjr s GLN 298 Ca -0.07 -0.22 -0.14 0.00 -1.82 0.00 0.00 55.36 53.10 2rjr s GLN 298 Cb -0.14 0.22 -0.07 0.00 -1.09 0.00 0.00 33.01 31.92 2rjr s GLN 298 CO -0.01 -0.12 0.87 1.03 -1.32 0.00 0.00 175.29 175.74 2rjr s ARG 299 N -1.13 3.89 -0.01 9.60 0.52 -1.26 -5.09 118.95 125.47 2rjr s ARG 299 Ca -0.12 0.73 -0.14 0.00 -0.52 0.00 0.00 55.73 55.68 2rjr s ARG 299 Cb -0.06 -2.27 0.02 0.00 0.52 0.00 0.00 34.95 33.16 2rjr s ARG 299 CO 0.02 -0.13 0.29 0.45 0.02 0.00 0.00 175.30 175.96 2rjr s SER 300 N -3.01 -0.17 0.00 0.23 0.15 -1.26 -5.02 113.70 104.63 2rjr s SER 300 Ca 0.55 0.06 0.26 0.00 0.70 0.00 0.00 55.95 57.52 2rjr s SER 300 Cb -0.10 0.30 0.62 0.00 -1.71 0.00 0.00 66.02 65.14 2rjr s SER 300 CO 0.29 -0.44 1.49 -0.62 1.20 0.00 0.00 173.24 175.17 2rjr n GLU 301 N 1.30 1.50 -3.24 5.44 1.02 -1.26 -4.88 120.64 120.52 2rjr n GLU 301 Ca -0.22 -1.04 -0.38 0.00 -0.02 0.00 0.00 57.16 55.50 2rjr n GLU 301 Cb 0.56 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 30.44 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 -2.22 5.11 -0.35 -3.67 1.01 -1.26 -5.05 121.20 114.78 2rjr s ILE 302 Ca 0.29 1.10 -0.10 0.00 0.00 0.00 0.00 60.65 61.95 2rjr s ILE 302 Cb 0.20 -3.88 0.02 0.00 0.01 0.00 0.00 42.46 38.81 2rjr s ILE 302 CO 0.42 0.33 0.17 -0.31 0.00 0.00 0.00 174.94 175.55 2rjr s TYR 303 N 0.50 3.22 0.45 3.97 2.02 -1.26 -4.95 117.35 121.30 2rjr s TYR 303 Ca 0.29 -0.92 0.30 0.00 -0.37 0.00 0.00 57.07 56.37 2rjr s TYR 303 Cb -0.16 -2.38 1.61 0.00 -0.40 0.00 0.00 41.96 40.63 2rjr s TYR 303 CO 0.13 -0.60 2.13 1.25 -1.57 0.00 0.00 175.55 176.89 2rjr h LEU 304 N 8.37 0.00 -8.03 -1.29 5.85 -1.97 -3.42 115.31 114.83 2rjr h LEU 304 Ca -0.27 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.24 2rjr h LEU 304 Cb 1.11 0.00 -0.21 0.00 0.37 0.00 0.00 40.66 41.93 2rjr h LEU 304 CO 0.64 0.08 -0.71 -1.10 -0.34 0.00 0.00 178.44 177.01 2rjr s GLN 305 N -4.23 0.37 0.48 1.25 -0.21 -1.26 -4.96 119.66 111.09 2rjr s GLN 305 Ca -0.03 -0.63 0.07 0.00 0.02 0.00 0.00 55.36 54.79 2rjr s GLN 305 Cb 0.13 -0.03 0.03 0.00 1.00 0.00 0.00 33.01 34.14 2rjr s GLN 305 CO 0.56 -0.01 0.65 0.15 -2.12 0.00 0.00 175.29 174.52 2rjr s LYS 306 N -1.42 2.66 0.89 2.91 -0.14 -1.26 -5.08 119.74 118.29 2rjr s LYS 306 Ca -0.13 -1.22 -0.10 0.00 -1.36 0.00 0.00 55.97 53.16 2rjr s LYS 306 Cb -0.10 -2.68 0.13 0.00 -1.68 0.00 0.00 37.83 33.51 2rjr s LYS 306 CO -0.01 -0.48 1.15 0.00 -0.76 0.00 0.00 175.35 175.25 2rjr s ALA 307 N -2.50 1.57 0.30 5.17 0.00 -1.26 -4.69 121.76 120.35 2rjr s ALA 307 Ca 0.57 0.60 0.06 0.00 0.00 0.00 0.00 51.96 53.19 2rjr s ALA 307 Cb -0.09 -3.44 0.78 0.00 0.00 0.00 0.00 23.12 20.36 2rjr s ALA 307 CO 0.35 -2.64 1.74 1.88 0.00 0.00 0.00 175.76 177.10 2rjr h TYR 308 N -1.72 0.96 0.00 0.00 -1.99 -1.98 -0.28 116.97 111.97 2rjr h TYR 308 Ca -0.43 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.33 2rjr h TYR 308 Cb 1.27 -0.27 0.00 0.00 2.00 0.00 0.00 36.73 39.73 2rjr h TYR 308 CO 0.51 0.12 0.00 -1.13 -0.00 0.00 0.00 178.16 177.65 2rjr n SER 309 N -4.87 0.35 0.00 3.88 3.41 -1.26 0.11 113.62 115.23 2rjr n SER 309 Ca 0.24 0.65 0.00 0.00 -0.26 0.00 0.00 58.87 59.50 2rjr n SER 309 Cb 0.64 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 2rjr n SER 309 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2rjr n LEU 310 N -1.96 1.52 0.00 1.04 4.77 -0.15 -4.79 117.00 117.43 2rjr n LEU 310 Ca -0.00 -1.52 0.00 0.00 -0.03 0.00 0.00 56.01 54.46 2rjr n LEU 310 Cb 0.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2rjr n LEU 310 CO 0.07 0.38 -0.13 -1.14 -1.33 0.00 0.00 177.39 175.24 2rjr n ARG 311 N -0.38 0.97 -0.80 3.23 0.63 -0.57 -4.83 116.66 114.92 2rjr n ARG 311 Ca 0.00 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.90 2rjr n ARG 311 Cb 0.31 -0.63 0.26 0.00 0.45 0.00 0.00 32.46 32.85 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 -0.91 4.08 -0.11 5.13 0.00 0.12 -4.54 120.51 124.28 2rjr n ALA 312 Ca 0.00 -1.78 -0.09 0.00 0.00 0.00 0.00 53.44 51.57 2rjr n ALA 312 Cb 0.13 -1.19 -0.01 0.00 0.00 0.00 0.00 19.45 18.37 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 2.29 1.16 -0.94 0.00 2.04 -1.87 -1.79 117.51 118.40 2rjr h ILE 313 Ca 0.18 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 2rjr h ILE 313 Cb 1.96 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 38.81 2rjr h ILE 313 CO 0.56 0.16 0.56 -0.65 0.00 0.00 0.00 178.15 178.78 2rjr h PRO 314 N 0.42 1.28 -0.14 2.37 0.11 -1.89 -0.85 132.00 133.30 2rjr h PRO 314 Ca 0.12 -0.12 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 2rjr h PRO 314 Cb 0.10 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 30.94 2rjr h PRO 314 CO -0.02 0.91 0.00 1.96 -0.21 0.00 0.00 178.00 180.64 2rjr h GLN 315 N 1.30 0.25 0.13 1.05 7.50 -1.84 -0.31 115.11 123.19 2rjr h GLN 315 Ca 0.34 -0.08 -0.01 0.00 0.50 0.00 0.00 58.65 59.40 2rjr h GLN 315 Cb -0.04 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 27.47 2rjr h GLN 315 CO -0.06 0.48 -0.06 0.28 -1.50 0.00 0.00 178.83 177.96 2rjr h VAL 316 N -0.01 0.68 0.00 -0.54 2.07 -1.25 -2.14 116.25 115.06 2rjr h VAL 316 Ca 0.04 -1.22 -0.05 0.00 0.82 0.00 0.00 66.70 66.30 2rjr h VAL 316 Cb 0.36 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 2rjr h VAL 316 CO 0.01 0.20 -0.22 0.58 0.02 0.00 0.00 177.57 178.15 2rjr h VAL 317 N -0.95 1.08 -0.51 2.57 2.07 -1.30 -1.69 116.25 117.51 2rjr h VAL 317 Ca -0.02 -0.79 -0.10 0.00 0.82 0.00 0.00 66.70 66.61 2rjr h VAL 317 Cb 0.46 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 2rjr h VAL 317 CO 0.03 0.22 -0.06 1.23 0.02 0.00 0.00 177.57 179.01 2rjr h GLY 318 N 0.76 1.02 1.14 2.17 0.00 -1.11 -0.01 103.07 107.03 2rjr h GLY 318 Ca -0.00 -0.79 -0.07 0.00 0.00 0.00 0.00 47.33 46.47 2rjr h GLY 318 CO 0.03 0.73 0.16 0.00 0.00 0.00 0.00 176.54 177.45 2rjr h ALA 319 N 0.92 1.01 -0.28 3.60 0.00 -0.74 -0.23 119.26 123.53 2rjr h ALA 319 Ca 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2rjr h ALA 319 Cb 0.60 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2rjr h ALA 319 CO 0.04 0.64 0.15 0.28 0.00 0.00 0.00 179.25 180.36 2rjr h VAL 320 N 1.01 1.13 -0.33 0.00 2.07 -1.03 -2.13 116.25 116.97 2rjr h VAL 320 Ca 0.21 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.40 2rjr h VAL 320 Cb 0.36 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 2rjr h VAL 320 CO 0.00 0.13 0.16 0.03 0.02 0.00 0.00 177.57 177.91 2rjr h ARG 321 N 0.33 0.32 -0.76 1.57 3.08 -0.57 -0.73 114.38 117.62 2rjr h ARG 321 Ca 0.10 -0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.25 2rjr h ARG 321 Cb 0.08 -0.07 -0.08 0.00 0.08 0.00 0.00 29.97 29.98 2rjr h ARG 321 CO -0.01 0.21 0.37 -0.44 -1.07 0.00 0.00 179.97 179.03 2rjr h ASP 322 N 0.33 0.45 -0.40 7.04 3.32 -0.83 0.38 116.42 126.71 2rjr h ASP 322 Ca 0.14 0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 2rjr h ASP 322 Cb 0.06 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 2rjr h ASP 322 CO -0.10 0.23 0.10 0.74 -1.72 0.00 0.00 179.24 178.48 2rjr h THR 323 N 0.59 1.23 -0.50 0.35 2.02 -0.79 -1.70 112.91 114.10 2rjr h THR 323 Ca 0.40 -0.79 -0.07 0.00 0.77 0.00 0.00 66.41 66.72 2rjr h THR 323 Cb 0.49 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 2rjr h THR 323 CO -0.32 0.27 0.05 -0.07 0.37 0.00 0.00 175.52 175.82 2rjr h LEU 324 N 0.50 0.77 -0.51 2.58 3.38 0.00 -1.44 115.31 120.60 2rjr h LEU 324 Ca 0.13 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2rjr h LEU 324 Cb 0.31 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2rjr h LEU 324 CO 0.00 0.81 0.14 1.88 0.09 0.00 0.00 178.44 181.37 2rjr h TYR 325 N 0.77 0.83 -0.52 1.13 0.05 -0.06 -0.58 116.97 118.59 2rjr h TYR 325 Ca 0.16 -0.09 -0.03 0.00 0.05 0.00 0.00 58.73 58.81 2rjr h TYR 325 Cb 0.40 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.88 2rjr h TYR 325 CO 0.02 0.73 0.19 1.25 -1.05 0.00 0.00 178.16 179.30 2rjr h HIS 326 N 0.70 0.81 -0.49 4.88 2.76 -1.00 -1.61 115.15 121.21 2rjr h HIS 326 Ca 0.16 -0.07 -0.04 0.00 -2.20 0.00 0.00 60.37 58.22 2rjr h HIS 326 Cb 0.30 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.00 2rjr h HIS 326 CO 0.02 0.68 0.15 0.00 -1.30 0.00 0.00 177.93 177.48 2rjr h ALA 327 N 1.04 0.64 -0.64 5.26 0.00 -1.08 -1.61 119.26 122.88 2rjr h ALA 327 Ca 0.17 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2rjr h ALA 327 Cb 0.23 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2rjr h ALA 327 CO -0.01 0.30 0.21 -0.09 0.00 0.00 0.00 179.25 179.67 2rjr h ARG 328 N 0.66 0.96 -0.24 0.00 2.43 -0.95 -0.16 114.38 117.08 2rjr h ARG 328 Ca 0.16 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2rjr h ARG 328 Cb 0.28 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2rjr h ARG 328 CO -0.00 0.81 0.12 1.25 -1.51 0.00 0.00 179.97 180.64 2rjr h HIS 329 N 0.93 0.34 -0.61 2.20 2.76 -1.00 -0.22 115.15 119.56 2rjr h HIS 329 Ca 0.21 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.37 2rjr h HIS 329 Cb 0.24 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.07 2rjr h HIS 329 CO 0.02 0.32 0.37 0.87 -1.30 0.00 0.00 177.93 178.21 2rjr h LYS 330 N 0.26 0.82 -0.69 5.26 1.79 -0.89 -2.08 116.57 121.04 2rjr h LYS 330 Ca 0.08 -0.07 -0.06 0.00 -2.18 0.00 0.00 60.65 58.42 2rjr h LYS 330 Cb 0.10 -0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 30.55 2rjr h LYS 330 CO -0.01 0.59 0.20 -0.07 -1.08 0.00 0.00 179.45 179.08 2rjr h LEU 331 N 0.83 1.00 -0.30 2.94 3.38 -0.79 -0.23 115.31 122.14 2rjr h LEU 331 Ca 0.22 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2rjr h LEU 331 Cb -0.03 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 2rjr h LEU 331 CO -0.04 0.94 0.15 -0.09 0.09 0.00 0.00 178.44 179.49 2rjr h ARG 332 N 1.03 0.43 -0.53 1.13 2.43 -0.76 0.15 114.38 118.26 2rjr h ARG 332 Ca 0.22 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.36 2rjr h ARG 332 Cb 0.31 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 2rjr h ARG 332 CO -0.01 0.39 0.32 0.82 -1.51 0.00 0.00 179.97 179.98 2rjr h ILE 333 N 0.36 1.06 -0.32 1.20 2.04 -1.10 -2.86 117.51 117.89 2rjr h ILE 333 Ca 0.10 -0.22 -0.07 0.00 1.00 0.00 0.00 64.86 65.68 2rjr h ILE 333 Cb 0.10 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 2rjr h ILE 333 CO -0.01 0.12 -0.07 -0.08 0.00 0.00 0.00 178.15 178.11 2rjr h GLU 334 N 0.63 0.60 -0.98 2.37 4.57 -0.64 -2.81 114.58 118.32 2rjr h GLU 334 Ca 0.21 -0.23 0.15 0.00 -1.18 0.00 0.00 59.36 58.31 2rjr h GLU 334 Cb 0.01 -0.04 -0.09 0.00 -0.16 0.00 0.00 28.75 28.47 2rjr h GLU 334 CO -0.09 0.78 0.59 -0.07 -1.18 0.00 0.00 179.01 179.04 2rjr h LEU 335 N 0.38 0.82 -3.96 1.64 3.38 -0.64 -1.91 115.31 115.02 2rjr h LEU 335 Ca 0.08 0.07 -0.62 0.00 0.09 0.00 0.00 57.88 57.50 2rjr h LEU 335 Cb 0.55 -0.08 -0.30 0.00 0.09 0.00 0.00 40.66 40.92 2rjr h LEU 335 CO 0.03 0.37 0.67 0.59 0.09 0.00 0.00 178.44 180.20 2rjr n ASN 336 N -4.71 6.53 -4.51 -0.43 3.02 -1.08 -4.22 115.26 109.86 2rjr n ASN 336 Ca 0.20 -3.75 -0.25 0.00 -0.03 0.00 0.00 54.58 50.75 2rjr n ASN 336 Cb 0.44 -0.89 -0.10 0.00 -0.61 0.00 0.00 39.78 38.62 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 -1.88 3.50 -1.14 6.41 1.04 -0.72 -4.72 113.70 116.19 2rjr s SER 337 Ca 0.62 -1.17 -0.09 0.00 0.48 0.00 0.00 55.95 55.78 2rjr s SER 337 Cb 0.49 -0.30 0.26 0.00 0.10 0.00 0.00 66.02 66.57 2rjr s SER 337 CO 0.02 -0.19 1.26 0.00 0.98 0.00 0.00 173.24 175.31 2rjr n ALA 338 N -0.72 4.31 -2.83 5.32 0.00 -1.26 -4.56 120.51 120.77 2rjr n ALA 338 Ca -0.05 -4.58 -0.43 0.00 0.00 0.00 0.00 53.44 48.38 2rjr n ALA 338 Cb 0.63 -2.60 -0.01 0.00 0.00 0.00 0.00 19.45 17.46 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 1.26 6.78 0.23 0.00 2.20 -1.26 -4.84 114.94 119.31 2rjr s ASN 339 Ca 0.34 -2.31 -0.22 0.00 -0.94 0.00 0.00 52.86 49.73 2rjr s ASN 339 Cb -0.06 -2.45 0.05 0.00 -2.00 0.00 0.00 41.25 36.79 2rjr s ASN 339 CO -0.04 -1.04 0.85 -0.62 -2.94 0.00 0.00 177.10 173.31 2rjr s ASP 340 N 3.65 -0.19 -0.28 3.54 2.15 -1.23 -4.00 116.67 120.32 2rjr s ASP 340 Ca 0.41 -0.57 -0.23 0.00 0.43 0.00 0.00 52.55 52.59 2rjr s ASP 340 Cb -0.02 0.62 0.11 0.00 -0.30 0.00 0.00 42.92 43.33 2rjr s ASP 340 CO -0.04 -1.16 0.94 0.21 -0.17 0.00 0.00 175.17 174.95 2rjr s ASN 341 N -2.97 -0.55 1.03 -0.34 2.47 -1.26 -4.25 114.94 109.07 2rjr s ASN 341 Ca 0.13 1.02 -0.17 0.00 0.42 0.00 0.00 52.86 54.25 2rjr s ASN 341 Cb -0.04 1.07 0.23 0.00 -1.45 0.00 0.00 41.25 41.06 2rjr s ASN 341 CO 0.05 -0.17 1.29 -2.16 -3.72 0.00 0.00 177.10 172.39 2rjr s PRO 342 N 0.49 0.09 0.08 0.43 0.04 -1.26 -4.82 135.00 130.06 2rjr s PRO 342 Ca 0.00 -0.40 0.08 0.00 0.04 0.00 0.00 61.00 60.72 2rjr s PRO 342 Cb -0.05 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.68 2rjr s PRO 342 CO -0.07 -2.79 -0.21 -0.51 0.04 0.00 0.00 177.00 173.47 2rjr s LEU 343 N -6.15 2.26 -0.16 -3.56 1.43 -0.10 -4.87 118.68 107.52 2rjr s LEU 343 Ca 0.75 -0.63 -0.08 0.00 -1.03 0.00 0.00 54.13 53.14 2rjr s LEU 343 Cb -0.04 -0.90 -0.04 0.00 0.03 0.00 0.00 46.19 45.24 2rjr s LEU 343 CO 0.54 0.08 0.09 0.12 0.23 0.00 0.00 176.35 177.42 2rjr s PHE 344 N -1.06 3.37 -0.12 0.29 5.36 0.12 -1.14 117.98 124.81 2rjr s PHE 344 Ca 0.06 0.26 -0.03 0.00 -0.96 0.00 0.00 56.93 56.27 2rjr s PHE 344 Cb -0.10 -2.04 0.04 0.00 -0.34 0.00 0.00 43.02 40.58 2rjr s PHE 344 CO 0.03 0.35 0.04 -0.06 -1.46 0.00 0.00 175.22 174.13 2rjr s PHE 345 N -0.06 0.55 0.23 10.12 0.08 -1.26 -4.58 117.98 123.06 2rjr s PHE 345 Ca 0.08 -0.30 -0.30 0.00 0.12 0.00 0.00 56.93 56.53 2rjr s PHE 345 Cb -0.12 -0.78 -0.15 0.00 -0.57 0.00 0.00 43.02 41.41 2rjr s PHE 345 CO 0.01 -0.41 1.11 -1.91 -0.10 0.00 0.00 175.22 173.91 2rjr n GLU 346 N 5.18 1.31 -1.25 0.44 2.13 -1.26 -1.66 120.64 125.52 2rjr n GLU 346 Ca -0.07 0.46 -0.09 0.00 0.66 0.00 0.00 57.16 58.13 2rjr n GLU 346 Cb 0.49 -1.91 -0.04 0.00 0.27 0.00 0.00 31.44 30.25 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 1.69 1.04 3.10 8.31 0.00 -1.26 -5.00 105.19 113.06 2rjr n GLY 347 Ca 0.12 -0.55 -0.07 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.64 0.65 0.82 1.61 1.02 -0.66 -5.14 119.74 115.39 2rjr s LYS 348 Ca 0.00 -1.24 -0.12 0.00 0.02 0.00 0.00 55.97 54.63 2rjr s LYS 348 Cb 0.00 0.22 0.09 0.00 -0.52 0.00 0.00 37.83 37.61 2rjr s LYS 348 CO 0.00 -0.13 1.15 -1.21 -0.92 0.00 0.00 175.35 174.24 2rjr s GLU 349 N -3.93 1.72 -0.01 1.68 0.41 -1.26 -4.70 118.70 112.60 2rjr s GLU 349 Ca 0.09 1.52 -0.30 0.00 -0.41 0.00 0.00 54.97 55.86 2rjr s GLU 349 Cb 0.08 -1.81 -0.06 0.00 -1.78 0.00 0.00 34.13 30.56 2rjr s GLU 349 CO -0.09 -2.11 1.46 0.42 -0.49 0.00 0.00 175.26 174.46 2rjr s ILE 350 N -2.50 3.64 -0.06 -1.63 1.01 -1.26 -4.68 121.20 115.72 2rjr s ILE 350 Ca 0.68 0.99 -0.30 0.00 0.00 0.00 0.00 60.65 62.02 2rjr s ILE 350 Cb -0.23 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.56 2rjr s ILE 350 CO 0.53 -0.02 1.49 0.12 0.00 0.00 0.00 174.94 177.06 2rjr s PHE 351 N 2.73 2.44 -0.50 3.97 5.36 -0.29 -4.87 117.98 126.82 2rjr s PHE 351 Ca 0.66 0.56 -0.00 0.00 -0.96 0.00 0.00 56.93 57.19 2rjr s PHE 351 Cb -0.32 -3.75 0.13 0.00 -0.34 0.00 0.00 43.02 38.74 2rjr s PHE 351 CO 0.27 -2.95 0.28 -1.01 -1.46 0.00 0.00 175.22 170.34 2rjr s HIS 352 N 3.41 3.45 0.00 10.12 3.76 -1.26 -0.93 115.29 133.85 2rjr s HIS 352 Ca 0.66 -2.80 0.00 0.00 -0.15 0.00 0.00 55.06 52.78 2rjr s HIS 352 Cb -0.30 -3.08 0.00 0.00 1.11 0.00 0.00 32.58 30.31 2rjr s HIS 352 CO 0.25 -0.87 0.00 0.41 -0.85 0.00 0.00 174.74 173.68 2rjr n GLY 353 N 3.79 5.20 2.76 -2.22 0.00 -1.26 -5.10 105.19 108.35 2rjr n GLY 353 Ca 0.04 -1.13 -0.03 0.00 0.00 0.00 0.00 46.02 44.90 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 2.79 1.18 4.61 0.00 -1.26 -4.91 120.51 119.92 2rjr n ALA 354 Ca 0.00 -2.60 0.05 0.00 0.00 0.00 0.00 53.44 50.90 2rjr n ALA 354 Cb 0.00 -0.90 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 -0.54 0.00 0.03 0.00 3.02 -1.26 -1.37 115.26 115.14 2rjr n ASN 355 Ca 0.04 -0.86 0.12 0.00 -0.03 0.00 0.00 54.58 53.86 2rjr n ASN 355 Cb 0.82 0.00 0.20 0.00 -0.61 0.00 0.00 39.78 40.19 2rjr n ASN 355 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 2rjr n PHE 356 N -0.77 0.26 -2.17 3.10 1.16 -1.26 -3.92 117.46 113.86 2rjr n PHE 356 Ca 0.08 0.08 -0.43 0.00 -1.87 0.00 0.00 57.45 55.31 2rjr n PHE 356 Cb 0.04 -0.45 -0.02 0.00 -1.61 0.00 0.00 39.48 37.43 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 -3.09 2.19 -1.20 2.97 2.46 -0.47 -4.30 115.29 113.85 2rjr s HIS 357 Ca 0.08 0.61 0.01 0.00 0.47 0.00 0.00 55.06 56.23 2rjr s HIS 357 Cb 0.15 -4.00 0.06 0.00 -0.13 0.00 0.00 32.58 28.66 2rjr s HIS 357 CO 0.72 -2.69 0.70 0.41 -2.47 0.00 0.00 174.74 171.41 2rjr n GLY 358 N 4.69 1.05 0.23 1.59 0.00 -0.71 -4.49 105.19 107.54 2rjr n GLY 358 Ca 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.32 0.08 -0.93 1.61 5.75 -1.91 0.28 115.11 120.30 2rjr h GLN 359 Ca 0.00 -0.00 0.14 0.00 -0.15 0.00 0.00 58.65 58.63 2rjr h GLN 359 Cb 0.48 -0.02 -0.08 0.00 1.07 0.00 0.00 27.48 28.94 2rjr h GLN 359 CO 0.03 0.05 0.59 -1.00 -2.65 0.00 0.00 178.83 175.85 2rjr h PRO 360 N 0.08 0.77 0.08 -2.39 0.13 -2.00 -0.65 132.00 128.02 2rjr h PRO 360 Ca 0.31 -0.05 -0.28 0.00 -0.87 0.00 0.00 66.00 65.11 2rjr h PRO 360 Cb 0.49 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 31.43 2rjr h PRO 360 CO -0.55 0.51 -1.45 0.82 -0.23 0.00 0.00 178.00 177.11 2rjr h ILE 361 N 0.79 1.23 -0.55 -3.56 1.08 -1.58 -2.79 117.51 112.13 2rjr h ILE 361 Ca 0.47 -2.91 0.02 0.00 -0.39 0.00 0.00 64.86 62.04 2rjr h ILE 361 Cb 0.64 2.73 -0.03 0.00 -3.07 0.00 0.00 36.82 37.09 2rjr h ILE 361 CO -0.23 0.80 0.34 0.00 -0.69 0.00 0.00 178.15 178.37 2rjr h ALA 362 N 0.67 0.70 0.23 1.87 0.00 0.09 -0.17 119.26 122.65 2rjr h ALA 362 Ca -0.20 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2rjr h ALA 362 Cb 1.97 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.58 2rjr h ALA 362 CO 0.14 0.07 -0.11 0.74 0.00 0.00 0.00 179.25 180.10 2rjr h PHE 363 N 0.68 -0.29 -0.56 0.00 0.04 -1.23 -1.94 116.94 113.64 2rjr h PHE 363 Ca 0.21 -0.01 0.11 0.00 2.80 0.00 0.00 57.97 61.09 2rjr h PHE 363 Cb -0.01 0.10 -0.10 0.00 2.20 0.00 0.00 35.95 38.14 2rjr h PHE 363 CO -0.05 -0.11 -0.02 0.00 -0.60 0.00 0.00 178.31 177.52 2rjr h ALA 364 N 0.35 0.52 -0.17 2.45 0.00 -1.16 -1.26 119.26 119.98 2rjr h ALA 364 Ca -0.03 0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 2rjr h ALA 364 Cb 0.31 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2rjr h ALA 364 CO 0.05 -0.40 -0.49 0.52 0.00 0.00 0.00 179.25 178.94 2rjr h MET 365 N 0.10 0.46 -0.50 0.00 2.86 -0.97 -1.86 114.93 115.01 2rjr h MET 365 Ca 0.29 -0.26 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 2rjr h MET 365 Cb 0.45 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 2rjr h MET 365 CO -0.50 0.85 0.15 -0.44 1.06 0.00 0.00 176.91 178.03 2rjr h ASP 366 N 0.37 0.69 -0.37 1.22 5.19 -0.74 -1.24 116.42 121.53 2rjr h ASP 366 Ca 0.02 -0.10 -0.13 0.00 -0.62 0.00 0.00 57.03 56.19 2rjr h ASP 366 Cb 0.99 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 40.31 2rjr h ASP 366 CO 0.09 0.66 -0.26 -0.26 -3.12 0.00 0.00 179.24 176.36 2rjr h PHE 367 N 0.73 1.02 -0.83 4.55 0.04 -0.89 -2.58 116.94 118.99 2rjr h PHE 367 Ca 0.17 -0.25 -0.04 0.00 2.80 0.00 0.00 57.97 60.65 2rjr h PHE 367 Cb 0.23 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 38.11 2rjr h PHE 367 CO 0.01 1.04 0.38 0.28 -0.60 0.00 0.00 178.31 179.43 2rjr h VAL 368 N 0.76 1.26 -0.38 -0.55 2.07 -0.82 -0.87 116.25 117.72 2rjr h VAL 368 Ca 0.09 -0.76 0.03 0.00 0.82 0.00 0.00 66.70 66.89 2rjr h VAL 368 Cb 0.81 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 2rjr h VAL 368 CO 0.07 0.32 0.18 0.74 0.02 0.00 0.00 177.57 178.90 2rjr h THR 369 N 1.19 0.96 -0.13 2.57 2.02 -1.03 -0.03 112.91 118.46 2rjr h THR 369 Ca 0.28 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 2rjr h THR 369 Cb 0.15 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 2rjr h THR 369 CO -0.03 0.07 0.05 0.40 0.37 0.00 0.00 175.52 176.38 2rjr h ILE 370 N 0.37 1.15 -0.21 3.11 2.04 -1.08 -1.74 117.51 121.15 2rjr h ILE 370 Ca 0.17 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 2rjr h ILE 370 Cb 0.09 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 2rjr h ILE 370 CO -0.13 0.14 0.11 0.00 0.00 0.00 0.00 178.15 178.27 2rjr h ALA 371 N 0.89 0.27 -0.21 1.87 0.00 -0.95 -2.71 119.26 118.43 2rjr h ALA 371 Ca 0.04 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2rjr h ALA 371 Cb 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2rjr h ALA 371 CO -0.00 -0.19 -0.04 -0.07 0.00 0.00 0.00 179.25 178.95 2rjr h LEU 372 N 0.22 0.29 -0.44 0.00 3.38 -0.98 -1.65 115.31 116.14 2rjr h LEU 372 Ca 0.07 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2rjr h LEU 372 Cb 0.08 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2rjr h LEU 372 CO -0.01 0.38 0.27 0.74 0.09 0.00 0.00 178.44 179.91 2rjr h THR 373 N 0.30 1.14 -0.14 0.22 2.02 -1.03 -1.83 112.91 113.60 2rjr h THR 373 Ca 0.07 -0.30 -0.07 0.00 0.77 0.00 0.00 66.41 66.87 2rjr h THR 373 Cb 0.28 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2rjr h THR 373 CO 0.01 0.14 -0.24 -0.61 0.37 0.00 0.00 175.52 175.19 2rjr h GLN 374 N 0.58 0.25 -0.80 6.66 5.75 -1.10 -0.57 115.11 125.89 2rjr h GLN 374 Ca 0.16 -0.08 -0.03 0.00 -0.15 0.00 0.00 58.65 58.55 2rjr h GLN 374 Cb -0.01 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.48 2rjr h GLN 374 CO -0.03 0.48 0.39 1.25 -2.65 0.00 0.00 178.83 178.27 2rjr h LEU 375 N 0.22 1.03 -0.47 -2.39 5.85 -0.72 -1.18 115.31 117.66 2rjr h LEU 375 Ca 0.04 -0.12 -0.17 0.00 0.84 0.00 0.00 57.88 58.47 2rjr h LEU 375 Cb 0.55 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2rjr h LEU 375 CO 0.04 0.87 -0.68 1.23 -0.34 0.00 0.00 178.44 179.55 2rjr h GLY 376 N 1.16 0.42 1.00 3.75 0.00 -0.71 -2.23 103.07 106.46 2rjr h GLY 376 Ca 0.28 -0.56 0.01 0.00 0.00 0.00 0.00 47.33 47.05 2rjr h GLY 376 CO -0.04 0.50 0.30 -2.08 0.00 0.00 0.00 176.54 175.23 2rjr h VAL 377 N 0.27 1.12 -0.12 4.60 2.07 -0.53 -0.30 116.25 123.35 2rjr h VAL 377 Ca -0.02 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2rjr h VAL 377 Cb 1.24 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 2rjr h VAL 377 CO 0.12 0.11 0.05 0.25 0.02 0.00 0.00 177.57 178.12 2rjr h LEU 378 N 0.62 0.16 -0.60 2.57 5.85 -1.16 -2.10 115.31 120.65 2rjr h LEU 378 Ca 0.17 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.77 2rjr h LEU 378 Cb -0.07 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 2rjr h LEU 378 CO -0.04 0.27 0.37 0.00 -0.34 0.00 0.00 178.44 178.69 2rjr h ALA 379 N 0.91 0.78 -0.81 1.25 0.00 -1.19 -1.61 119.26 118.58 2rjr h ALA 379 Ca 0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2rjr h ALA 379 Cb 0.15 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2rjr h ALA 379 CO -0.00 0.10 0.38 1.49 0.00 0.00 0.00 179.25 181.21 2rjr h GLU 380 N 0.72 1.16 0.00 0.00 4.22 -0.93 -1.75 114.58 118.00 2rjr h GLU 380 Ca 0.24 -0.17 -0.06 0.00 0.08 0.00 0.00 59.36 59.45 2rjr h GLU 380 Cb 0.03 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 2rjr h GLU 380 CO -0.10 0.90 -0.29 0.00 -2.18 0.00 0.00 179.01 177.34 2rjr h ARG 381 N 1.15 0.00 -0.08 1.92 2.47 -0.94 -1.92 114.38 116.97 2rjr h ARG 381 Ca 0.28 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.83 2rjr h ARG 381 Cb 0.13 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.44 2rjr h ARG 381 CO -0.03 0.29 -0.68 1.96 0.56 0.00 0.00 179.97 182.07 2rjr h GLN 382 N 0.00 0.35 -0.30 0.04 4.20 -0.52 -1.85 115.11 117.02 2rjr h GLN 382 Ca -0.00 -0.26 -0.04 0.00 0.06 0.00 0.00 58.65 58.40 2rjr h GLN 382 Cb 0.79 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 2rjr h GLN 382 CO 0.04 0.90 0.03 0.82 -0.67 0.00 0.00 178.83 179.94 2rjr h ILE 383 N 0.24 1.24 -0.91 2.54 2.04 -0.94 -2.74 117.51 118.99 2rjr h ILE 383 Ca -0.02 -0.87 0.07 0.00 1.00 0.00 0.00 64.86 65.05 2rjr h ILE 383 Cb 1.23 1.22 -0.06 0.00 -0.74 0.00 0.00 36.82 38.46 2rjr h ILE 383 CO 0.11 0.28 0.59 -1.13 0.00 0.00 0.00 178.15 178.00 2rjr h ASN 384 N 0.33 0.89 -0.50 1.72 -1.24 -1.21 -2.43 115.58 113.14 2rjr h ASN 384 Ca 0.09 0.01 0.02 0.00 0.71 0.00 0.00 56.30 57.13 2rjr h ASN 384 Cb 0.38 -0.18 -0.03 0.00 0.73 0.00 0.00 38.32 39.23 2rjr h ASN 384 CO 0.01 0.56 0.31 -0.09 -1.29 0.00 0.00 177.43 176.93 2rjr h ARG 385 N 1.00 0.60 0.00 6.67 9.65 -1.04 -1.94 114.38 129.32 2rjr h ARG 385 Ca 0.40 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.24 2rjr h ARG 385 Cb 0.25 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 2rjr h ARG 385 CO -0.16 0.40 -0.21 -0.39 2.80 0.00 0.00 179.97 182.41 2rjr h VAL 386 N 0.62 0.00 0.00 0.20 -1.51 -1.24 -2.19 116.25 112.14 2rjr h VAL 386 Ca 0.20 -0.97 -0.01 0.00 -1.23 0.00 0.00 66.70 64.69 2rjr h VAL 386 Cb -0.01 1.86 -0.00 0.00 -2.13 0.00 0.00 31.29 31.00 2rjr h VAL 386 CO -0.07 0.00 -0.96 -0.07 -1.23 0.00 0.00 177.57 175.24 2rjr h LEU 387 N 0.00 0.00 -8.62 4.19 3.38 -1.32 -3.42 115.31 109.53 2rjr h LEU 387 Ca 0.00 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 2rjr h LEU 387 Cb 0.98 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.59 2rjr h LEU 387 CO 0.00 0.03 0.20 0.21 0.09 0.00 0.00 178.44 178.97 2rjr s ASN 388 N -5.45 6.36 0.57 -0.43 3.84 -0.74 -0.16 114.94 118.93 2rjr s ASN 388 Ca -0.00 -0.24 0.28 0.00 0.21 0.00 0.00 52.86 53.11 2rjr s ASN 388 Cb 0.09 -2.34 1.51 0.00 -0.55 0.00 0.00 41.25 39.96 2rjr s ASN 388 CO 0.78 -0.81 1.98 0.08 -2.79 0.00 0.00 177.10 176.35 2rjr h ARG 389 N 8.88 0.00 0.00 0.43 0.11 -1.85 0.42 114.38 122.37 2rjr h ARG 389 Ca -0.25 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.83 2rjr h ARG 389 Cb 1.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.17 2rjr h ARG 389 CO 0.91 0.00 0.00 0.45 0.10 0.00 0.00 179.97 181.43 2rjr h HIS 390 N 0.00 0.00 0.00 4.08 3.86 -1.92 -3.33 115.15 117.83 2rjr h HIS 390 Ca 0.19 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 2rjr h HIS 390 Cb 0.94 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.41 2rjr h HIS 390 CO 0.00 0.00 -1.00 1.28 0.86 0.00 0.00 177.93 179.07 2rjr n LEU 391 N -2.38 0.00 0.25 2.43 4.77 0.89 -4.78 117.00 118.19 2rjr n LEU 391 Ca 0.03 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.19 2rjr n LEU 391 Cb 0.33 0.00 0.90 0.00 -2.33 0.00 0.00 43.42 42.32 2rjr n LEU 391 CO 0.25 0.00 1.15 0.77 -1.33 0.00 0.00 177.39 178.23 2rjr h SER 392 N 0.00 0.00 -3.70 -1.43 4.64 0.32 -3.47 113.55 109.91 2rjr h SER 392 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 2rjr h SER 392 Cb 0.66 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.80 2rjr h SER 392 CO 0.00 0.00 -0.22 -1.22 -0.87 0.00 0.00 176.83 174.52 2rjr n TYR 393 N -3.52 -0.72 0.00 4.77 4.01 -1.26 -4.29 117.16 116.15 2rjr n TYR 393 Ca 0.00 0.25 0.00 0.00 -0.16 0.00 0.00 57.90 58.00 2rjr n TYR 393 Cb 0.28 -2.89 0.00 0.00 -0.31 0.00 0.00 39.34 36.43 2rjr n TYR 393 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2rjr n GLY 394 N -1.40 2.15 3.81 2.72 0.00 -1.26 -5.04 105.19 106.17 2rjr n GLY 394 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 3.89 0.63 0.99 1.43 -1.26 -5.03 118.68 119.33 2rjr s LEU 395 Ca 0.00 1.78 -0.17 0.00 -1.03 0.00 0.00 54.13 54.71 2rjr s LEU 395 Cb 0.00 -4.55 -0.02 0.00 0.03 0.00 0.00 46.19 41.66 2rjr s LEU 395 CO 0.00 -0.54 1.17 -2.16 0.23 0.00 0.00 176.35 175.04 2rjr s PRO 396 N -3.23 2.83 0.11 1.29 0.04 -1.26 -4.68 135.00 130.10 2rjr s PRO 396 Ca 0.64 1.65 -0.34 0.00 0.04 0.00 0.00 61.00 62.99 2rjr s PRO 396 Cb -0.12 -1.93 -0.14 0.00 0.04 0.00 0.00 34.50 32.35 2rjr s PRO 396 CO 0.16 -1.27 1.60 -0.85 0.04 0.00 0.00 177.00 176.68 2rjr n GLU 397 N -1.98 2.04 -2.07 4.56 0.00 -1.26 -1.55 120.64 120.38 2rjr n GLU 397 Ca 0.12 0.74 -0.14 0.00 0.00 0.00 0.00 57.16 57.88 2rjr n GLU 397 Cb 0.51 -2.51 -0.03 0.00 0.00 0.00 0.00 31.44 29.41 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 3.86 -0.98 -3.63 -1.84 3.01 0.77 -2.03 117.46 116.62 2rjr n PHE 398 Ca 0.18 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.37 2rjr n PHE 398 Cb 0.28 -2.89 0.03 0.00 -0.01 0.00 0.00 39.48 36.89 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 -2.52 -2.60 -4.69 4.37 4.77 -0.59 -1.87 117.00 113.87 2rjr n LEU 399 Ca -0.16 -0.60 -0.42 0.00 -0.03 0.00 0.00 56.01 54.80 2rjr n LEU 399 Cb 0.57 -2.66 -0.03 0.00 -2.33 0.00 0.00 43.42 38.97 2rjr n LEU 399 CO 0.20 0.43 0.83 -0.69 -1.33 0.00 0.00 177.39 176.83 2rjr s VAL 400 N -3.23 4.67 -0.07 4.08 1.01 -0.86 -4.67 120.40 121.34 2rjr s VAL 400 Ca 0.56 1.96 0.13 0.00 0.00 0.00 0.00 61.98 64.63 2rjr s VAL 400 Cb -0.27 -4.26 -0.10 0.00 0.00 0.00 0.00 36.38 31.75 2rjr s VAL 400 CO 0.69 -0.01 1.12 0.77 0.00 0.00 0.00 175.10 177.67 2rjr h SER 401 N 7.20 0.00 0.00 3.32 4.64 -1.80 -3.46 113.55 123.45 2rjr h SER 401 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 2rjr h SER 401 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2rjr h SER 401 CO 0.87 0.70 0.00 0.61 -0.87 0.00 0.00 176.83 178.14 2rjr n GLY 402 N 1.35 0.53 3.50 -0.77 0.00 -1.26 -5.03 105.19 103.50 2rjr n GLY 402 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.92 6.25 0.87 1.61 1.01 -1.26 -5.06 116.67 119.18 2rjr s ASP 403 Ca 0.00 -0.55 -0.11 0.00 0.71 0.00 0.00 52.55 52.61 2rjr s ASP 403 Cb 0.00 -2.27 0.12 0.00 1.01 0.00 0.00 42.92 41.78 2rjr s ASP 403 CO 0.00 -0.69 1.15 -2.16 0.21 0.00 0.00 175.17 173.69 2rjr s PRO 404 N 2.46 1.31 0.00 8.23 0.04 -1.26 -1.36 135.00 144.43 2rjr s PRO 404 Ca 0.17 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.75 2rjr s PRO 404 Cb -0.16 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2rjr s PRO 404 CO 0.16 -2.41 0.00 0.41 0.04 0.00 0.00 177.00 175.20 2rjr n GLY 405 N 0.08 2.05 0.31 0.56 0.00 -1.26 -4.32 105.19 102.61 2rjr n GLY 405 Ca 0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 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 0.71 -8.64 0.99 5.85 -1.99 -3.40 115.31 108.83 2rjr h LEU 406 Ca 0.00 -0.08 -0.70 0.00 0.84 0.00 0.00 57.88 57.94 2rjr h LEU 406 Cb 0.00 -0.18 -0.29 0.00 0.37 0.00 0.00 40.66 40.55 2rjr h LEU 406 CO 0.00 0.63 -0.88 -1.00 -0.34 0.00 0.00 178.44 176.86 2rjr s HIS 407 N -5.39 2.36 -0.64 1.25 3.76 -0.46 -5.01 115.29 111.16 2rjr s HIS 407 Ca -0.10 -0.41 0.20 0.00 -0.15 0.00 0.00 55.06 54.60 2rjr s HIS 407 Cb 0.16 -1.51 -0.25 0.00 1.11 0.00 0.00 32.58 32.10 2rjr s HIS 407 CO 0.78 -0.02 0.71 0.43 -0.85 0.00 0.00 174.74 175.79 2rjr n SER 408 N 2.41 0.75 0.00 1.40 7.64 -1.26 -4.36 113.62 120.20 2rjr n SER 408 Ca -0.16 -0.65 0.00 0.00 1.01 0.00 0.00 58.87 59.07 2rjr n SER 408 Cb 0.51 1.30 0.00 0.00 -1.01 0.00 0.00 64.21 65.01 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 3.30 1.18 0.23 0.00 -1.26 -1.69 105.19 108.37 2rjr n GLY 409 Ca 0.01 0.17 0.10 0.00 0.00 0.00 0.00 46.02 46.30 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 9.50 0.86 -0.05 1.61 3.72 -0.78 -4.56 117.46 127.76 2rjr n PHE 410 Ca 0.00 -0.43 -0.08 0.00 -0.05 0.00 0.00 57.45 56.90 2rjr n PHE 410 Cb 0.00 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.52 2rjr n PHE 410 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2rjr h ALA 411 N 4.18 0.12 0.00 4.37 0.00 -1.52 -2.21 119.26 124.20 2rjr h ALA 411 Ca 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2rjr h ALA 411 Cb 0.86 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2rjr h ALA 411 CO 0.00 -0.50 -0.14 0.78 0.00 0.00 0.00 179.25 179.39 2rjr h GLY 412 N -0.04 0.00 2.00 0.00 0.00 -1.82 -3.06 103.07 100.14 2rjr h GLY 412 Ca 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.45 2rjr h GLY 412 CO -0.27 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.25 2rjr h ALA 413 N 1.86 0.99 -0.24 3.60 0.00 -1.70 -3.16 119.26 120.61 2rjr h ALA 413 Ca -0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 2rjr h ALA 413 Cb 0.68 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2rjr h ALA 413 CO 0.02 0.03 -0.44 0.37 0.00 0.00 0.00 179.25 179.23 2rjr h GLN 414 N 0.00 0.59 -0.56 0.00 4.15 -1.39 -3.33 115.11 114.57 2rjr h GLN 414 Ca -0.00 -0.32 0.10 0.00 0.77 0.00 0.00 58.65 59.20 2rjr h GLN 414 Cb 0.75 0.01 -0.08 0.00 0.21 0.00 0.00 27.48 28.38 2rjr h GLN 414 CO 0.00 0.92 0.12 1.88 -1.93 0.00 0.00 178.83 179.82 2rjr h TYR 415 N 0.48 0.19 -0.25 3.99 0.05 -1.71 -0.88 116.97 118.85 2rjr h TYR 415 Ca 0.03 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 2rjr h TYR 415 Cb 0.95 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.68 2rjr h TYR 415 CO 0.04 -0.01 0.08 -1.00 -1.05 0.00 0.00 178.16 176.22 2rjr h PRO 416 N 0.26 0.35 -0.16 4.88 0.13 -1.76 0.19 132.00 135.88 2rjr h PRO 416 Ca 0.29 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 65.31 2rjr h PRO 416 Cb 0.40 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.46 2rjr h PRO 416 CO -0.37 0.31 -0.17 0.00 -0.23 0.00 0.00 178.00 177.54 2rjr h ALA 417 N 1.74 0.23 -0.46 -0.56 0.00 -1.42 -2.07 119.26 116.72 2rjr h ALA 417 Ca 0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2rjr h ALA 417 Cb 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2rjr h ALA 417 CO -0.01 0.14 0.22 1.15 0.00 0.00 0.00 179.25 180.76 2rjr h THR 418 N 0.03 1.19 -0.22 0.00 2.02 -0.67 -2.71 112.91 112.54 2rjr h THR 418 Ca 0.02 -0.52 -0.03 0.00 0.77 0.00 0.00 66.41 66.65 2rjr h THR 418 Cb 0.71 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 2rjr h THR 418 CO 0.04 0.20 0.02 0.00 0.37 0.00 0.00 175.52 176.15 2rjr h ALA 419 N 1.07 1.63 0.00 6.16 0.00 -0.64 -2.50 119.26 124.97 2rjr h ALA 419 Ca 0.16 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 2rjr h ALA 419 Cb 0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2rjr h ALA 419 CO -0.02 0.28 -0.62 -0.07 0.00 0.00 0.00 179.25 178.82 2rjr h LEU 420 N 0.31 0.00 -0.32 0.00 3.38 -1.07 -1.35 115.31 116.27 2rjr h LEU 420 Ca 0.07 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 2rjr h LEU 420 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2rjr h LEU 420 CO 0.00 0.62 0.01 0.58 0.09 0.00 0.00 178.44 179.75 2rjr h VAL 421 N 0.00 1.25 -0.52 1.22 2.07 -1.20 -0.31 116.25 118.76 2rjr h VAL 421 Ca -0.01 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.58 2rjr h VAL 421 Cb 1.15 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 2rjr h VAL 421 CO 0.08 0.30 0.27 0.00 0.02 0.00 0.00 177.57 178.25 2rjr h ALA 422 N 0.85 0.66 -0.64 1.67 0.00 -1.37 -2.07 119.26 118.37 2rjr h ALA 422 Ca 0.09 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2rjr h ALA 422 Cb 0.42 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2rjr h ALA 422 CO 0.01 0.20 0.25 1.49 0.00 0.00 0.00 179.25 181.20 2rjr h GLU 423 N 0.69 0.96 -0.22 0.00 4.81 -1.06 -2.25 114.58 117.51 2rjr h GLU 423 Ca 0.18 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 2rjr h GLU 423 Cb 0.07 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 2rjr h GLU 423 CO -0.03 0.81 -0.07 -0.91 -0.73 0.00 0.00 179.01 178.08 2rjr h ASN 424 N 0.90 0.32 0.59 1.04 2.35 -0.86 -1.49 115.58 118.44 2rjr h ASN 424 Ca 0.21 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2rjr h ASN 424 Cb 0.21 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.50 2rjr h ASN 424 CO -0.02 0.44 0.00 0.54 -1.65 0.00 0.00 177.43 176.74 2rjr n ARG 425 N -4.28 0.08 -0.01 0.81 1.74 -0.79 -1.86 116.66 112.34 2rjr n ARG 425 Ca 0.00 0.33 0.13 0.00 -0.77 0.00 0.00 57.85 57.54 2rjr n ARG 425 Cb 0.25 -1.66 0.47 0.00 -1.02 0.00 0.00 32.46 30.50 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 -1.81 0.03 -3.20 0.55 -2.24 -0.56 -4.78 114.28 102.26 2rjr n THR 426 Ca 0.03 -0.29 -0.43 0.00 -2.27 0.00 0.00 64.05 61.09 2rjr n THR 426 Cb 0.19 0.59 -0.08 0.00 -2.10 0.00 0.00 70.33 68.93 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 -1.97 4.95 0.37 2.28 1.01 -0.78 -5.06 121.20 121.99 2rjr s ILE 427 Ca 0.36 -0.08 0.03 0.00 0.00 0.00 0.00 60.65 60.96 2rjr s ILE 427 Cb 0.21 -4.13 -0.02 0.00 0.01 0.00 0.00 42.46 38.53 2rjr s ILE 427 CO 0.32 -0.51 0.55 -0.83 0.00 0.00 0.00 174.94 174.47 2rjr s GLY 428 N 1.91 1.47 0.34 6.18 0.00 -1.26 -5.01 107.32 110.95 2rjr s GLY 428 Ca 0.18 -1.15 -0.29 0.00 0.00 0.00 0.00 44.72 43.46 2rjr s GLY 428 CO 0.16 -1.05 1.51 -1.05 0.00 0.00 0.00 173.10 172.68 2rjr n PRO 429 N -1.81 2.63 -0.06 2.90 -0.02 -1.26 -4.95 135.00 132.44 2rjr n PRO 429 Ca -0.02 0.93 -0.02 0.00 -2.02 0.00 0.00 63.50 62.37 2rjr n PRO 429 Cb 0.57 -2.67 -0.14 0.00 -0.02 0.00 0.00 33.50 31.25 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 1.13 1.96 0.13 3.55 0.00 -1.26 -4.52 120.51 121.50 2rjr n ALA 430 Ca 0.05 -0.88 0.08 0.00 0.00 0.00 0.00 53.44 52.69 2rjr n ALA 430 Cb 0.38 -0.29 0.45 0.00 0.00 0.00 0.00 19.45 19.99 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 -2.46 0.43 -0.48 0.00 3.41 -1.25 -1.10 113.62 112.17 2rjr n SER 431 Ca -0.19 0.69 0.09 0.00 -0.26 0.00 0.00 58.87 59.19 2rjr n SER 431 Cb 0.85 -0.73 0.02 0.00 -0.26 0.00 0.00 64.21 64.08 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 -2.08 0.00 -0.35 6.66 -2.24 -1.26 -4.64 114.28 110.37 2rjr n THR 432 Ca -0.01 -0.36 -0.15 0.00 -2.27 0.00 0.00 64.05 61.27 2rjr n THR 432 Cb 0.06 1.25 0.11 0.00 -2.10 0.00 0.00 70.33 69.64 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 0.16 1.75 -1.66 -0.78 1.13 -0.26 -4.99 117.38 112.74 2rjr n GLN 433 Ca 0.08 -1.80 -0.43 0.00 -1.94 0.00 0.00 57.00 52.91 2rjr n GLN 433 Cb 0.39 -1.71 -0.01 0.00 0.11 0.00 0.00 30.24 29.03 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 -0.47 2.28 -3.88 1.08 2.88 -1.26 -5.00 113.62 109.26 2rjr n SER 434 Ca 0.36 1.19 -0.24 0.00 -1.33 0.00 0.00 58.87 58.85 2rjr n SER 434 Cb 1.19 -1.42 -0.17 0.00 -0.75 0.00 0.00 64.21 63.05 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 -1.09 0.73 0.36 2.46 1.01 -1.26 -4.95 120.40 117.66 2rjr s VAL 435 Ca 0.57 -0.15 -0.28 0.00 0.00 0.00 0.00 61.98 62.12 2rjr s VAL 435 Cb -0.61 -0.78 -0.11 0.00 0.00 0.00 0.00 36.38 34.89 2rjr s VAL 435 CO 0.61 0.30 1.42 -2.16 0.00 0.00 0.00 175.10 175.27 2rjr s PRO 436 N 1.48 4.18 0.32 2.72 0.04 -1.26 -4.84 135.00 137.64 2rjr s PRO 436 Ca -0.01 2.43 -0.03 0.00 0.04 0.00 0.00 61.00 63.43 2rjr s PRO 436 Cb -0.13 -2.99 0.01 0.00 0.04 0.00 0.00 34.50 31.43 2rjr s PRO 436 CO -0.04 -0.42 0.48 -1.13 0.04 0.00 0.00 177.00 175.93 2rjr n SER 437 N 0.55 -1.35 -3.43 6.66 3.41 -0.86 -4.88 113.62 113.71 2rjr n SER 437 Ca 0.01 -2.67 -0.19 0.00 -0.26 0.00 0.00 58.87 55.76 2rjr n SER 437 Cb 0.40 2.47 0.06 0.00 -0.26 0.00 0.00 64.21 66.88 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 -1.64 -4.54 -2.75 4.04 5.15 -1.26 -2.19 115.26 112.06 2rjr n ASN 438 Ca -0.01 -0.76 -0.18 0.00 -0.60 0.00 0.00 54.58 53.03 2rjr n ASN 438 Cb 0.53 -4.70 0.00 0.00 -0.53 0.00 0.00 39.78 35.08 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 -1.34 -0.50 2.74 8.20 0.00 -1.26 -0.84 105.19 112.19 2rjr n GLY 439 Ca -0.16 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.10 -1.90 -0.18 1.61 8.00 -0.93 -4.89 116.55 116.16 2rjr n ASP 440 Ca -0.13 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.26 2rjr n ASP 440 Cb 0.61 -0.94 0.01 0.00 -0.02 0.00 0.00 41.12 40.78 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 1.04 -2.92 -2.24 -1.24 -0.87 -3.14 115.58 106.20 2rjr h ASN 441 Ca 0.00 -0.37 -0.79 0.00 0.71 0.00 0.00 56.30 55.84 2rjr h ASN 441 Cb 0.13 -0.28 -0.29 0.00 0.73 0.00 0.00 38.32 38.60 2rjr h ASN 441 CO 0.00 1.17 0.67 0.00 -1.29 0.00 0.00 177.43 177.98 2rjr n GLN 442 N -4.13 4.28 0.00 6.67 6.02 -0.98 -4.78 117.38 124.45 2rjr n GLN 442 Ca 0.01 -4.56 0.13 0.00 -0.01 0.00 0.00 57.00 52.57 2rjr n GLN 442 Cb 0.43 -2.50 0.48 0.00 1.02 0.00 0.00 30.24 29.68 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 1.40 0.27 -3.50 1.08 5.75 -1.19 -2.02 116.55 118.34 2rjr n ASP 443 Ca 0.26 0.02 -0.21 0.00 -0.01 0.00 0.00 54.79 54.86 2rjr n ASP 443 Cb 0.34 -0.14 -0.13 0.00 -1.03 0.00 0.00 41.12 40.15 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 -2.90 -0.27 0.47 2.12 1.01 -1.26 -4.38 120.40 115.19 2rjr s VAL 444 Ca 0.16 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 61.89 2rjr s VAL 444 Cb 0.19 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 2rjr s VAL 444 CO 0.58 -0.35 0.10 0.68 0.00 0.00 0.00 175.10 176.11 2rjr s VAL 445 N 2.27 1.71 -0.08 2.92 -7.23 -1.26 -5.09 120.40 113.65 2rjr s VAL 445 Ca 0.07 -1.86 0.15 0.00 -1.81 0.00 0.00 61.98 58.52 2rjr s VAL 445 Cb -0.15 -2.58 -0.22 0.00 0.56 0.00 0.00 36.38 33.99 2rjr s VAL 445 CO -0.20 0.00 0.35 -1.54 -0.31 0.00 0.00 175.10 173.40 2rjr n SER 446 N -1.24 1.54 -1.88 4.85 3.41 -1.07 -4.43 113.62 114.80 2rjr n SER 446 Ca -0.09 -0.08 -0.16 0.00 -0.26 0.00 0.00 58.87 58.29 2rjr n SER 446 Cb 0.66 1.61 -0.04 0.00 -0.26 0.00 0.00 64.21 66.18 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 -1.95 -1.64 -0.04 4.33 2.81 0.68 -3.95 117.12 117.35 2rjr n MET 447 Ca -0.02 0.85 0.21 0.00 -1.81 0.00 0.00 57.70 56.92 2rjr n MET 447 Cb 0.37 -5.28 0.67 0.00 -0.71 0.00 0.00 33.22 28.27 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 0.08 1.96 3.03 0.00 -1.81 -1.19 103.07 105.14 2rjr h GLY 448 Ca -0.34 -0.02 -0.15 0.00 0.00 0.00 0.00 47.33 46.82 2rjr h GLY 448 CO 0.45 0.01 -0.68 -2.00 0.00 0.00 0.00 176.54 174.32 2rjr h LEU 449 N 0.05 0.04 -0.39 3.11 5.85 -1.89 -1.10 115.31 120.98 2rjr h LEU 449 Ca 0.29 -0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.89 2rjr h LEU 449 Cb 1.09 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 2rjr h LEU 449 CO -0.02 0.71 -0.10 0.40 -0.34 0.00 0.00 178.44 179.10 2rjr h ILE 450 N 0.02 1.28 -0.74 4.05 2.04 -1.56 -0.58 117.51 122.02 2rjr h ILE 450 Ca -0.01 -1.19 0.05 0.00 1.00 0.00 0.00 64.86 64.72 2rjr h ILE 450 Cb 1.21 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 38.46 2rjr h ILE 450 CO 0.09 0.40 0.44 0.28 0.00 0.00 0.00 178.15 179.36 2rjr h SER 451 N 0.57 0.69 -0.36 1.72 0.02 -1.14 0.83 113.55 115.89 2rjr h SER 451 Ca 0.10 0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.95 2rjr h SER 451 Cb 0.62 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 2rjr h SER 451 CO 0.04 0.46 -0.19 0.00 -1.14 0.00 0.00 176.83 176.00 2rjr h ALA 452 N 1.35 0.86 0.00 3.77 0.00 -0.93 -2.27 119.26 122.05 2rjr h ALA 452 Ca 0.32 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 2rjr h ALA 452 Cb 0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2rjr h ALA 452 CO -0.16 0.64 -0.56 0.00 0.00 0.00 0.00 179.25 179.17 2rjr h ARG 453 N 0.74 0.00 -0.30 0.00 3.08 -0.47 -1.76 114.38 115.67 2rjr h ARG 453 Ca 0.11 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 2rjr h ARG 453 Cb 0.71 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 2rjr h ARG 453 CO 0.05 0.56 0.03 -0.91 -1.07 0.00 0.00 179.97 178.63 2rjr h ASN 454 N 0.00 0.50 -0.69 7.04 2.35 -0.62 -1.99 115.58 122.16 2rjr h ASN 454 Ca -0.01 -0.28 -0.03 0.00 -0.55 0.00 0.00 56.30 55.43 2rjr h ASN 454 Cb 1.05 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 39.25 2rjr h ASN 454 CO 0.07 0.66 0.32 0.00 -1.65 0.00 0.00 177.43 176.83 2rjr h ALA 455 N 0.86 0.90 -0.93 -0.83 0.00 -1.25 -2.18 119.26 115.83 2rjr h ALA 455 Ca 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2rjr h ALA 455 Cb 0.38 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2rjr h ALA 455 CO 0.01 0.47 0.58 -0.09 0.00 0.00 0.00 179.25 180.23 2rjr h ARG 456 N 0.97 1.24 -0.23 0.00 2.43 -1.21 -0.51 114.38 117.06 2rjr h ARG 456 Ca 0.24 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 2rjr h ARG 456 Cb 0.14 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 2rjr h ARG 456 CO -0.03 0.85 0.07 -0.09 -1.51 0.00 0.00 179.97 179.26 2rjr h ARG 457 N 1.27 0.36 -0.68 0.20 2.43 -0.79 -0.07 114.38 117.10 2rjr h ARG 457 Ca 0.34 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.36 2rjr h ARG 457 Cb -0.09 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 2rjr h ARG 457 CO -0.07 0.45 0.17 0.28 -1.51 0.00 0.00 179.97 179.30 2rjr h VAL 458 N 0.21 1.26 -0.24 0.20 2.07 -1.18 0.38 116.25 118.95 2rjr h VAL 458 Ca 0.07 -0.95 0.04 0.00 0.82 0.00 0.00 66.70 66.69 2rjr h VAL 458 Cb 0.24 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 2rjr h VAL 458 CO -0.00 0.36 -0.02 0.25 0.02 0.00 0.00 177.57 178.18 2rjr h LEU 459 N 1.02 -0.14 -0.65 2.57 5.85 -0.85 0.14 115.31 123.25 2rjr h LEU 459 Ca 0.21 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 2rjr h LEU 459 Cb 0.36 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 2rjr h LEU 459 CO 0.00 -0.04 0.27 -1.28 -0.34 0.00 0.00 178.44 177.06 2rjr h SER 460 N 0.05 0.88 -0.55 1.25 0.87 -0.58 -2.75 113.55 112.72 2rjr h SER 460 Ca 0.11 -0.16 -0.08 0.00 -1.23 0.00 0.00 61.79 60.44 2rjr h SER 460 Cb 0.16 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 2rjr h SER 460 CO -0.21 0.80 0.06 0.78 -0.53 0.00 0.00 176.83 177.72 2rjr h ASN 461 N 0.90 0.93 -0.34 6.23 2.35 -0.48 -2.85 115.58 122.33 2rjr h ASN 461 Ca 0.22 -0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 2rjr h ASN 461 Cb 0.18 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 2rjr h ASN 461 CO -0.02 0.96 0.20 0.78 -1.65 0.00 0.00 177.43 177.69 2rjr h ASN 462 N 0.91 0.44 -0.03 5.81 2.35 -0.46 -1.52 115.58 123.07 2rjr h ASN 462 Ca 0.18 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.86 2rjr h ASN 462 Cb 0.45 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 2rjr h ASN 462 CO 0.02 0.36 -0.07 0.78 -1.65 0.00 0.00 177.43 176.87 2rjr h ASN 463 N 0.51 0.23 0.03 5.81 2.35 -1.25 0.21 115.58 123.48 2rjr h ASN 463 Ca 0.13 -0.04 -0.21 0.00 -0.55 0.00 0.00 56.30 55.64 2rjr h ASN 463 Cb 0.02 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.34 2rjr h ASN 463 CO -0.02 0.34 -0.76 0.11 -1.65 0.00 0.00 177.43 175.45 2rjr h LYS 464 N 0.24 0.62 -0.23 0.81 1.79 -1.33 -0.76 116.57 117.72 2rjr h LYS 464 Ca 0.05 -0.51 -0.04 0.00 -2.18 0.00 0.00 60.65 57.98 2rjr h LYS 464 Cb 0.28 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.03 2rjr h LYS 464 CO 0.01 1.13 0.00 0.82 -1.08 0.00 0.00 179.45 180.34 2rjr h ILE 465 N 0.43 1.25 -0.35 1.86 2.04 -0.86 -2.62 117.51 119.27 2rjr h ILE 465 Ca -0.04 -0.88 -0.06 0.00 1.00 0.00 0.00 64.86 64.88 2rjr h ILE 465 Cb 1.36 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 38.81 2rjr h ILE 465 CO 0.15 0.27 -0.05 -0.07 0.00 0.00 0.00 178.15 178.45 2rjr h LEU 466 N 0.17 0.53 -0.42 1.44 3.38 -0.61 -2.34 115.31 117.47 2rjr h LEU 466 Ca 0.06 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 57.97 2rjr h LEU 466 Cb 0.40 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 2rjr h LEU 466 CO 0.01 0.64 0.15 0.00 0.09 0.00 0.00 178.44 179.33 2rjr h ALA 467 N 1.43 0.49 -0.46 1.53 0.00 -0.87 0.28 119.26 121.65 2rjr h ALA 467 Ca 0.11 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 2rjr h ALA 467 Cb 0.41 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2rjr h ALA 467 CO 0.02 -0.24 0.01 0.28 0.00 0.00 0.00 179.25 179.32 2rjr h VAL 468 N 0.32 1.23 -0.44 0.00 2.07 -1.15 -1.93 116.25 116.35 2rjr h VAL 468 Ca 0.19 -0.95 -0.09 0.00 0.82 0.00 0.00 66.70 66.67 2rjr h VAL 468 Cb 0.18 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2rjr h VAL 468 CO -0.19 0.34 -0.09 -0.08 0.02 0.00 0.00 177.57 177.57 2rjr h GLU 469 N 0.71 0.83 -0.72 1.57 4.81 -0.63 -0.17 114.58 120.98 2rjr h GLU 469 Ca 0.14 -0.31 -0.04 0.00 -0.13 0.00 0.00 59.36 59.03 2rjr h GLU 469 Cb 0.42 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 2rjr h GLU 469 CO 0.02 0.94 0.30 1.88 -0.73 0.00 0.00 179.01 181.41 2rjr h TYR 470 N 0.66 1.07 -0.39 0.92 -1.99 -0.26 0.12 116.97 117.11 2rjr h TYR 470 Ca 0.11 -0.07 -0.11 0.00 2.00 0.00 0.00 58.73 60.66 2rjr h TYR 470 Cb 0.62 -0.33 -0.01 0.00 2.00 0.00 0.00 36.73 39.01 2rjr h TYR 470 CO 0.05 0.81 -0.20 -0.07 -0.00 0.00 0.00 178.16 178.75 2rjr h LEU 471 N 1.04 0.84 -0.76 3.88 3.38 -1.16 -2.38 115.31 120.15 2rjr h LEU 471 Ca 0.24 -0.41 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 2rjr h LEU 471 Cb 0.18 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2rjr h LEU 471 CO -0.02 1.06 -0.03 0.00 0.09 0.00 0.00 178.44 179.54 2rjr h ALA 472 N 0.80 0.96 -0.12 1.53 0.00 -0.70 -1.80 119.26 119.93 2rjr h ALA 472 Ca 0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2rjr h ALA 472 Cb 0.75 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2rjr h ALA 472 CO 0.06 0.62 0.05 0.00 0.00 0.00 0.00 179.25 179.98 2rjr h ALA 473 N 1.12 0.15 -0.73 0.00 0.00 -0.90 -0.21 119.26 118.69 2rjr h ALA 473 Ca 0.15 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2rjr h ALA 473 Cb 0.54 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2rjr h ALA 473 CO 0.03 -0.25 0.34 0.00 0.00 0.00 0.00 179.25 179.36 2rjr h ALA 474 N 0.88 0.94 -0.85 0.00 0.00 -1.37 -1.58 119.26 117.28 2rjr h ALA 474 Ca 0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2rjr h ALA 474 Cb 0.18 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2rjr h ALA 474 CO -0.00 0.52 0.43 0.37 0.00 0.00 0.00 179.25 180.57 2rjr h GLN 475 N 1.03 1.21 -0.54 0.00 5.75 -1.16 -1.29 115.11 120.11 2rjr h GLN 475 Ca 0.25 -0.16 -0.04 0.00 -0.15 0.00 0.00 58.65 58.54 2rjr h GLN 475 Cb 0.14 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 28.44 2rjr h GLN 475 CO -0.03 0.91 0.16 0.00 -2.65 0.00 0.00 178.83 177.22 2rjr h ALA 476 N 1.27 1.26 -0.41 3.38 0.00 -0.42 -0.09 119.26 124.24 2rjr h ALA 476 Ca 0.30 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2rjr h ALA 476 Cb 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2rjr h ALA 476 CO -0.04 0.52 -0.01 0.28 0.00 0.00 0.00 179.25 180.00 2rjr h VAL 477 N 0.80 1.26 -0.17 0.00 2.07 -0.71 -2.18 116.25 117.31 2rjr h VAL 477 Ca 0.18 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 2rjr h VAL 477 Cb 0.25 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 2rjr h VAL 477 CO -0.01 0.35 0.05 0.44 0.02 0.00 0.00 177.57 178.43 2rjr h ASP 478 N 0.57 0.25 0.12 0.57 3.32 -0.67 -1.30 116.42 119.28 2rjr h ASP 478 Ca 0.12 -0.20 -0.07 0.00 0.02 0.00 0.00 57.03 56.89 2rjr h ASP 478 Cb 0.50 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 2rjr h ASP 478 CO 0.02 0.39 -0.26 0.40 -1.72 0.00 0.00 179.24 178.07 2rjr h ILE 479 N 0.10 1.24 0.00 0.35 2.04 -1.03 -2.78 117.51 117.43 2rjr h ILE 479 Ca 0.06 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 64.80 2rjr h ILE 479 Cb 0.23 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 2rjr h ILE 479 CO -0.00 0.34 -0.52 -1.54 0.00 0.00 0.00 178.15 176.42 2rjr n SER 480 N -4.16 0.52 -3.04 1.72 3.41 -0.82 -4.95 113.62 106.29 2rjr n SER 480 Ca -0.01 -0.22 -0.21 0.00 -0.26 0.00 0.00 58.87 58.16 2rjr n SER 480 Cb 0.36 0.26 0.05 0.00 -0.26 0.00 0.00 64.21 64.62 2rjr n SER 480 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rjr n GLY 481 N 1.49 -0.42 1.42 5.00 0.00 -0.53 -4.92 105.19 107.23 2rjr n GLY 481 Ca 0.05 0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.28 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 -4.18 3.42 -0.10 1.61 1.74 -0.97 -4.66 116.66 113.53 2rjr n ARG 482 Ca -0.05 -2.77 -0.06 0.00 -0.77 0.00 0.00 57.85 54.20 2rjr n ARG 482 Cb 0.58 -1.77 0.01 0.00 -1.02 0.00 0.00 32.46 30.27 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 -0.01 0.00 -1.55 3.57 -1.92 -1.70 116.94 119.17 2rjr h PHE 483 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2rjr h PHE 483 Cb 1.30 0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.09 2rjr h PHE 483 CO 0.65 -0.05 0.00 -0.44 -2.23 0.00 0.00 178.31 176.24 2rjr h ASP 484 N 0.10 0.00 0.31 0.41 3.32 -1.97 -1.33 116.42 117.26 2rjr h ASP 484 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 2rjr h ASP 484 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2rjr h ASP 484 CO -0.27 0.00 -0.56 0.61 -1.72 0.00 0.00 179.24 177.30 2rjr n GLY 485 N -0.80 -0.99 3.77 2.75 0.00 -0.65 -4.94 105.19 104.34 2rjr n GLY 485 Ca -0.00 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.87 3.74 1.09 0.99 1.43 -0.50 -1.11 118.68 121.44 2rjr s LEU 486 Ca 0.13 2.26 -0.16 0.00 -1.03 0.00 0.00 54.13 55.33 2rjr s LEU 486 Cb 0.18 -4.56 0.23 0.00 0.03 0.00 0.00 46.19 42.07 2rjr s LEU 486 CO 0.69 -1.33 1.14 -0.94 0.23 0.00 0.00 176.35 176.15 2rjr s SER 487 N -1.68 1.94 0.16 2.29 1.04 -1.26 -4.70 113.70 111.50 2rjr s SER 487 Ca 0.74 0.73 -0.14 0.00 0.48 0.00 0.00 55.95 57.75 2rjr s SER 487 Cb -0.27 -1.07 0.05 0.00 0.10 0.00 0.00 66.02 64.83 2rjr s SER 487 CO 0.30 -3.50 1.77 -0.65 0.98 0.00 0.00 173.24 172.14 2rjr h PRO 488 N -2.15 0.70 -0.59 4.02 0.11 -1.82 -0.93 132.00 131.34 2rjr h PRO 488 Ca -0.48 -0.08 -0.04 0.00 0.11 0.00 0.00 66.00 65.51 2rjr h PRO 488 Cb 1.30 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 2rjr h PRO 488 CO 0.43 0.54 0.20 0.00 -0.21 0.00 0.00 178.00 178.97 2rjr h ALA 489 N 1.12 0.77 -0.36 -0.75 0.00 -1.86 -2.00 119.26 116.17 2rjr h ALA 489 Ca 0.18 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2rjr h ALA 489 Cb 0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2rjr h ALA 489 CO -0.03 0.42 0.14 0.00 0.00 0.00 0.00 179.25 179.78 2rjr h ALA 490 N 1.06 0.47 -0.97 0.00 0.00 -1.73 0.42 119.26 118.51 2rjr h ALA 490 Ca 0.19 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2rjr h ALA 490 Cb 0.26 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 2rjr h ALA 490 CO -0.01 0.08 0.64 0.87 0.00 0.00 0.00 179.25 180.83 2rjr h LYS 491 N 0.44 1.23 -0.44 0.00 1.57 -1.07 0.18 116.57 118.49 2rjr h LYS 491 Ca 0.12 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 2rjr h LYS 491 Cb 0.20 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2rjr h LYS 491 CO -0.01 0.82 0.09 0.00 -0.57 0.00 0.00 179.45 179.78 2rjr h ALA 492 N 1.41 0.58 -0.28 3.86 0.00 -0.92 0.05 119.26 123.97 2rjr h ALA 492 Ca 0.37 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2rjr h ALA 492 Cb -0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2rjr h ALA 492 CO -0.10 0.28 0.10 1.15 0.00 0.00 0.00 179.25 180.68 2rjr h THR 493 N 0.58 1.18 -0.20 0.00 2.02 -0.22 -0.72 112.91 115.56 2rjr h THR 493 Ca 0.13 -0.56 0.03 0.00 0.77 0.00 0.00 66.41 66.79 2rjr h THR 493 Cb 0.35 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 2rjr h THR 493 CO 0.00 0.19 -0.01 0.22 0.37 0.00 0.00 175.52 176.30 2rjr h TYR 494 N 0.29 -0.02 -0.45 3.16 3.20 -0.51 -2.06 116.97 120.58 2rjr h TYR 494 Ca 0.09 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 2rjr h TYR 494 Cb 0.20 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 2rjr h TYR 494 CO -0.00 -0.04 0.12 0.93 -1.64 0.00 0.00 178.16 177.53 2rjr h GLU 495 N 0.05 0.66 -0.03 1.82 5.08 -0.81 -1.27 114.58 120.08 2rjr h GLU 495 Ca 0.09 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2rjr h GLU 495 Cb 0.12 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 2rjr h GLU 495 CO -0.16 0.59 0.02 0.00 -1.00 0.00 0.00 179.01 178.46 2rjr h ALA 496 N 1.49 0.04 -0.20 3.43 0.00 -0.61 -0.31 119.26 123.11 2rjr h ALA 496 Ca 0.15 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2rjr h ALA 496 Cb 0.22 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2rjr h ALA 496 CO -0.01 -0.45 0.11 0.28 0.00 0.00 0.00 179.25 179.19 2rjr h VAL 497 N 0.03 1.02 0.00 0.00 2.07 -1.09 -2.83 116.25 115.45 2rjr h VAL 497 Ca 0.01 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 2rjr h VAL 497 Cb 0.01 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 2rjr h VAL 497 CO -0.00 0.04 -0.11 0.03 0.02 0.00 0.00 177.57 177.55 2rjr h ARG 498 N 0.24 0.00 0.00 1.57 2.47 -0.98 0.25 114.38 117.92 2rjr h ARG 498 Ca 0.08 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.77 2rjr h ARG 498 Cb -0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.31 2rjr h ARG 498 CO -0.04 0.11 -0.15 -0.09 0.56 0.00 0.00 179.97 180.36 2rjr h ARG 499 N 0.00 0.00 0.01 0.04 2.43 -0.80 -3.29 114.38 112.77 2rjr h ARG 499 Ca -0.00 0.00 -0.39 0.00 -0.81 0.00 0.00 59.98 58.78 2rjr h ARG 499 Cb 0.47 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.97 2rjr h ARG 499 CO 0.01 0.15 -2.16 1.28 -1.51 0.00 0.00 179.97 177.75 2rjr n LEU 500 N -4.26 2.07 -4.05 3.80 4.77 -0.14 -4.99 117.00 114.20 2rjr n LEU 500 Ca -0.02 0.31 -0.23 0.00 -0.03 0.00 0.00 56.01 56.03 2rjr n LEU 500 Cb 0.22 -0.89 -0.16 0.00 -2.33 0.00 0.00 43.42 40.27 2rjr n LEU 500 CO 0.35 0.55 -0.47 -0.69 -1.33 0.00 0.00 177.39 175.80 2rjr s VAL 501 N -2.47 1.08 0.83 4.08 1.01 -0.11 -5.07 120.40 119.75 2rjr s VAL 501 Ca -0.35 -0.51 -0.12 0.00 0.00 0.00 0.00 61.98 61.01 2rjr s VAL 501 Cb 0.11 -0.95 0.09 0.00 0.00 0.00 0.00 36.38 35.63 2rjr s VAL 501 CO 0.55 0.33 1.10 -2.16 0.00 0.00 0.00 175.10 174.91 2rjr s PRO 502 N 0.25 1.80 0.74 2.72 0.04 -1.26 -4.01 135.00 135.27 2rjr s PRO 502 Ca -0.06 0.62 -0.15 0.00 0.04 0.00 0.00 61.00 61.45 2rjr s PRO 502 Cb -0.11 -1.89 0.04 0.00 0.04 0.00 0.00 34.50 32.58 2rjr s PRO 502 CO 0.02 -1.81 1.20 2.41 0.04 0.00 0.00 177.00 178.85 2rjr n THR 503 N -3.56 3.27 -3.05 1.26 -1.04 -1.26 -4.93 114.28 104.97 2rjr n THR 503 Ca 0.07 -0.34 -0.44 0.00 -2.04 0.00 0.00 64.05 61.30 2rjr n THR 503 Cb 0.56 -1.29 -0.05 0.00 -1.82 0.00 0.00 70.33 67.73 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 -4.76 4.89 0.00 -4.42 2.96 -1.26 -4.94 118.68 111.15 2rjr s LEU 504 Ca 0.77 -1.03 0.00 0.00 -0.22 0.00 0.00 54.13 53.65 2rjr s LEU 504 Cb -0.33 -2.44 0.00 0.00 0.50 0.00 0.00 46.19 43.92 2rjr s LEU 504 CO 0.47 -1.11 0.00 0.61 -1.32 0.00 0.00 176.35 174.99 2rjr n GLY 505 N 5.23 1.58 3.90 7.98 0.00 -1.26 -4.56 105.19 118.06 2rjr n GLY 505 Ca -0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 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 0.04 4.88 0.64 1.61 -7.23 -1.26 -4.53 120.40 114.55 2rjr s VAL 506 Ca 0.00 0.32 -0.17 0.00 -1.81 0.00 0.00 61.98 60.32 2rjr s VAL 506 Cb 0.00 -3.83 -0.04 0.00 0.56 0.00 0.00 36.38 33.07 2rjr s VAL 506 CO 0.00 -0.77 0.87 0.47 -0.31 0.00 0.00 175.10 175.36 2rjr n ASP 507 N -2.02 0.29 -3.51 4.85 8.00 -1.26 -5.01 116.55 117.89 2rjr n ASP 507 Ca 0.01 0.74 -0.10 0.00 0.71 0.00 0.00 54.79 56.15 2rjr n ASP 507 Cb 0.55 -1.35 -0.02 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 -2.80 1.28 -0.05 -1.24 1.70 -1.26 -5.12 118.95 111.47 2rjr s ARG 508 Ca 0.74 -0.53 -0.37 0.00 -0.47 0.00 0.00 55.73 55.10 2rjr s ARG 508 Cb -0.40 0.55 -0.15 0.00 -0.57 0.00 0.00 34.95 34.38 2rjr s ARG 508 CO 0.49 -0.57 1.56 0.98 -1.08 0.00 0.00 175.30 176.69 2rjr n TYR 509 N -0.37 1.87 -0.07 5.89 9.36 -1.26 -4.89 117.16 127.69 2rjr n TYR 509 Ca -0.13 0.49 -0.03 0.00 3.32 0.00 0.00 57.90 61.55 2rjr n TYR 509 Cb 0.63 -2.44 -0.16 0.00 -0.63 0.00 0.00 39.34 36.75 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 4.04 0.76 -0.25 2.98 2.81 -1.26 -4.67 117.12 121.52 2rjr n MET 510 Ca 0.21 -0.07 0.06 0.00 -1.81 0.00 0.00 57.70 56.09 2rjr n MET 510 Cb 0.19 -1.50 0.18 0.00 -0.71 0.00 0.00 33.22 31.39 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 1.29 0.91 -0.64 3.04 0.00 -1.99 -0.44 119.26 121.43 2rjr h ALA 511 Ca -0.35 0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 2rjr h ALA 511 Cb 1.77 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 19.85 2rjr h ALA 511 CO 0.02 -0.39 0.11 -0.44 0.00 0.00 0.00 179.25 178.55 2rjr h ASP 512 N 0.19 1.01 -0.38 0.00 3.32 -1.99 -1.13 116.42 117.44 2rjr h ASP 512 Ca 0.43 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 2rjr h ASP 512 Cb 0.76 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 2rjr h ASP 512 CO -0.58 1.01 0.22 0.44 -1.72 0.00 0.00 179.24 178.61 2rjr h ASP 513 N 0.97 0.46 -0.50 6.45 3.32 -1.47 -1.10 116.42 124.55 2rjr h ASP 513 Ca 0.20 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 2rjr h ASP 513 Cb 0.42 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 2rjr h ASP 513 CO 0.01 0.40 0.13 0.40 -1.72 0.00 0.00 179.24 178.46 2rjr h ILE 514 N 0.49 1.24 -0.34 0.35 2.04 -0.98 -2.73 117.51 117.58 2rjr h ILE 514 Ca 0.13 -0.83 -0.08 0.00 1.00 0.00 0.00 64.86 65.08 2rjr h ILE 514 Cb 0.03 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 2rjr h ILE 514 CO -0.02 0.30 -0.13 -0.08 0.00 0.00 0.00 178.15 178.22 2rjr h GLU 515 N 0.69 0.58 -0.26 2.37 4.81 -1.04 -0.95 114.58 120.78 2rjr h GLU 515 Ca 0.16 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2rjr h GLU 515 Cb 0.32 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 2rjr h GLU 515 CO 0.00 0.70 0.09 1.25 -0.73 0.00 0.00 179.01 180.32 2rjr h LEU 516 N 0.54 0.37 -0.63 1.64 5.85 -1.04 -0.87 115.31 121.17 2rjr h LEU 516 Ca 0.10 -0.19 -0.15 0.00 0.84 0.00 0.00 57.88 58.48 2rjr h LEU 516 Cb 0.53 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 2rjr h LEU 516 CO 0.03 0.46 -0.61 0.58 -0.34 0.00 0.00 178.44 178.56 2rjr h VAL 517 N 0.26 1.38 -0.72 1.05 2.07 -1.36 -2.17 116.25 116.76 2rjr h VAL 517 Ca 0.09 -1.98 -0.04 0.00 0.82 0.00 0.00 66.70 65.58 2rjr h VAL 517 Cb 0.21 2.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 2rjr h VAL 517 CO -0.00 0.59 0.28 0.00 0.02 0.00 0.00 177.57 178.46 2rjr h ALA 518 N 1.16 0.94 -0.40 1.67 0.00 -1.00 -0.60 119.26 121.04 2rjr h ALA 518 Ca -0.01 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 2rjr h ALA 518 Cb 1.12 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2rjr h ALA 518 CO 0.10 0.56 -0.18 -0.44 0.00 0.00 0.00 179.25 179.29 2rjr h ASP 519 N 1.03 0.75 -0.58 0.00 3.32 -1.00 -1.64 116.42 118.31 2rjr h ASP 519 Ca 0.24 -0.25 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 2rjr h ASP 519 Cb 0.22 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2rjr h ASP 519 CO -0.02 0.93 0.18 0.00 -1.72 0.00 0.00 179.24 178.61 2rjr h ALA 520 N 1.13 0.76 -0.57 3.45 0.00 -0.92 -2.73 119.26 120.39 2rjr h ALA 520 Ca 0.10 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2rjr h ALA 520 Cb 0.67 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2rjr h ALA 520 CO 0.05 0.44 0.25 -0.07 0.00 0.00 0.00 179.25 179.92 2rjr h LEU 521 N 0.82 0.76 -2.03 0.00 3.38 -0.87 -0.96 115.31 116.41 2rjr h LEU 521 Ca 0.19 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2rjr h LEU 521 Cb 0.30 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2rjr h LEU 521 CO -0.00 0.70 -0.01 0.77 0.09 0.00 0.00 178.44 179.98 2rjr h SER 522 N 0.77 0.00 -0.65 -0.43 4.64 -1.07 -0.67 113.55 116.15 2rjr h SER 522 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2rjr h SER 522 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2rjr h SER 522 CO -0.02 0.01 0.00 -2.11 -0.87 0.00 0.00 176.83 173.84 2rjr n ARG 523 N -4.45 3.76 -2.65 4.77 1.85 -1.00 -4.95 116.66 113.97 2rjr n ARG 523 Ca -0.03 -2.85 -0.18 0.00 -1.00 0.00 0.00 57.85 53.79 2rjr n ARG 523 Cb 0.10 -1.91 0.01 0.00 -1.05 0.00 0.00 32.46 29.61 2rjr n ARG 523 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2rjr n GLY 524 N 1.14 -0.31 0.29 2.89 0.00 -0.26 -4.94 105.19 104.00 2rjr n GLY 524 Ca 0.26 -0.09 0.02 0.00 0.00 0.00 0.00 46.02 46.20 2rjr n GLY 524 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2rjr h GLU 525 N -0.68 0.54 0.00 1.61 4.57 -1.40 -1.95 114.58 117.28 2rjr h GLU 525 Ca -0.42 -0.07 -0.20 0.00 -1.18 0.00 0.00 59.36 57.49 2rjr h GLU 525 Cb 1.30 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.76 2rjr h GLU 525 CO 0.47 0.46 -0.93 0.74 -1.18 0.00 0.00 179.01 178.57 2rjr h PHE 526 N 0.54 0.00 -0.00 0.92 0.04 -1.91 -0.82 116.94 115.71 2rjr h PHE 526 Ca 0.13 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.79 2rjr h PHE 526 Cb 0.12 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.26 2rjr h PHE 526 CO 0.01 0.93 -0.52 -0.07 -0.60 0.00 0.00 178.31 178.06 2rjr h LEU 527 N 0.00 0.00 -0.07 1.54 3.38 -1.89 -2.79 115.31 115.49 2rjr h LEU 527 Ca -0.01 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 2rjr h LEU 527 Cb 1.67 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.42 2rjr h LEU 527 CO 0.12 0.52 -0.39 0.03 0.09 0.00 0.00 178.44 178.82 2rjr h ARG 528 N 0.00 0.39 -0.76 1.13 3.08 -1.15 -2.85 114.38 114.23 2rjr h ARG 528 Ca -0.01 -0.32 0.12 0.00 0.07 0.00 0.00 59.98 59.84 2rjr h ARG 528 Cb 0.92 0.07 -0.08 0.00 0.08 0.00 0.00 29.97 30.96 2rjr h ARG 528 CO 0.07 0.97 0.36 0.00 -1.07 0.00 0.00 179.97 180.29 2rjr h ALA 529 N 0.43 1.07 -0.25 0.04 0.00 -0.99 0.23 119.26 119.79 2rjr h ALA 529 Ca -0.03 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2rjr h ALA 529 Cb 1.04 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2rjr h ALA 529 CO 0.08 -0.09 -0.27 0.82 0.00 0.00 0.00 179.25 179.78 2rjr h ILE 530 N 0.57 1.27 -0.44 0.00 2.04 -1.54 -0.69 117.51 118.72 2rjr h ILE 530 Ca 0.39 -1.32 -0.09 0.00 1.00 0.00 0.00 64.86 64.84 2rjr h ILE 530 Cb 0.50 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 2rjr h ILE 530 CO -0.32 0.42 -0.11 0.00 0.00 0.00 0.00 178.15 178.14 2rjr h ALA 531 N 1.27 0.99 0.00 1.87 0.00 -0.77 -1.68 119.26 120.94 2rjr h ALA 531 Ca 0.06 -0.32 -0.26 0.00 0.00 0.00 0.00 54.91 54.40 2rjr h ALA 531 Cb 0.70 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 2rjr h ALA 531 CO 0.05 0.60 -1.46 -0.09 0.00 0.00 0.00 179.25 178.36 2rjr h ARG 532 N 0.71 0.00 0.00 0.00 2.43 -1.02 -3.37 114.38 113.14 2rjr h ARG 532 Ca 0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2rjr h ARG 532 Cb 0.59 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2rjr h ARG 532 CO 0.04 0.62 -1.05 0.39 -1.51 0.00 0.00 179.97 178.46 2rjr n GLU 533 N -3.13 1.66 -4.40 0.20 -0.58 -0.28 -5.02 120.64 109.10 2rjr n GLU 533 Ca -0.11 -0.05 -0.21 0.00 -0.42 0.00 0.00 57.16 56.37 2rjr n GLU 533 Cb 1.00 -1.22 -0.09 0.00 -0.57 0.00 0.00 31.44 30.56 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 -2.56 0.64 -1.35 2.62 -4.23 -0.63 -4.97 115.64 105.15 2rjr s THR 534 Ca 0.01 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.71 2rjr s THR 534 Cb 0.10 -2.56 0.71 0.00 1.34 0.00 0.00 72.50 72.08 2rjr s THR 534 CO 0.57 0.00 1.61 0.47 -0.54 0.00 0.00 174.62 176.73 2rjr n ASP 535 N -0.87 4.56 -4.73 3.99 8.00 -1.26 -4.70 116.55 121.54 2rjr n ASP 535 Ca -0.02 -2.34 -0.41 0.00 0.71 0.00 0.00 54.79 52.73 2rjr n ASP 535 Cb 0.66 -0.56 -0.04 0.00 -0.02 0.00 0.00 41.12 41.16 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 -1.66 4.29 -0.38 0.53 1.01 -1.26 -5.02 121.20 118.71 2rjr s ILE 536 Ca 0.51 1.85 0.02 0.00 0.00 0.00 0.00 60.65 63.03 2rjr s ILE 536 Cb 0.31 -4.18 0.11 0.00 0.01 0.00 0.00 42.46 38.70 2rjr s ILE 536 CO 0.27 0.26 0.12 -1.10 0.00 0.00 0.00 174.94 174.48 2rjr s GLN 537 N 0.14 1.68 0.39 2.79 -0.21 -1.26 -4.68 119.66 118.50 2rjr s GLN 537 Ca 0.50 -1.92 -0.25 0.00 0.02 0.00 0.00 55.36 53.70 2rjr s GLN 537 Cb -0.26 -3.34 -0.09 0.00 1.00 0.00 0.00 33.01 30.33 2rjr s GLN 537 CO 0.31 -0.99 1.11 -0.51 -2.12 0.00 0.00 175.29 173.09 2rjr s LEU 538 N 0.88 4.21 0.00 2.90 1.43 -1.26 -5.05 118.68 121.78 2rjr s LEU 538 Ca 0.11 2.21 0.30 0.00 -1.03 0.00 0.00 54.13 55.72 2rjr s LEU 538 Cb -0.21 -4.04 1.46 0.00 0.03 0.00 0.00 46.19 43.43 2rjr s LEU 538 CO -0.06 -0.55 1.98 0.54 0.23 0.00 0.00 176.35 178.49