#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kdy s PRO 12 N 0.00 3.82 0.27 5.55 0.04 -1.26 -4.61 135.00 138.81 3kdy s PRO 12 Ca 0.00 0.16 -0.30 0.00 0.04 0.00 0.00 61.00 60.91 3kdy s PRO 12 Cb 0.00 -3.25 -0.10 0.00 0.04 0.00 0.00 34.50 31.19 3kdy s PRO 12 CO 0.00 0.63 1.45 0.08 0.04 0.00 0.00 177.00 179.20 3kdy s VAL 13 N -0.76 2.55 -0.43 -0.36 1.01 0.43 -4.73 120.40 118.11 3kdy s VAL 13 Ca 0.19 0.47 -0.13 0.00 0.00 0.00 0.00 61.98 62.51 3kdy s VAL 13 Cb -0.14 -3.30 0.05 0.00 0.00 0.00 0.00 36.38 32.99 3kdy s VAL 13 CO 0.08 0.08 0.31 -0.55 0.00 0.00 0.00 175.10 175.03 3kdy s SER 14 N 0.24 5.97 -1.09 3.32 0.15 -1.26 0.04 113.70 121.06 3kdy s SER 14 Ca 0.58 -1.20 -0.11 0.00 0.70 0.00 0.00 55.95 55.92 3kdy s SER 14 Cb -0.43 -2.11 0.24 0.00 -1.71 0.00 0.00 66.02 62.01 3kdy s SER 14 CO 0.47 -0.53 1.14 0.68 1.20 0.00 0.00 173.24 176.19 3kdy s VAL 15 N 1.60 5.69 -1.99 4.45 -7.23 -1.09 -4.38 120.40 117.45 3kdy s VAL 15 Ca 0.04 -3.06 0.24 0.00 -1.81 0.00 0.00 61.98 57.38 3kdy s VAL 15 Cb -0.22 -4.66 0.07 0.00 0.56 0.00 0.00 36.38 32.13 3kdy s VAL 15 CO 0.07 -1.28 1.22 -0.90 -0.31 0.00 0.00 175.10 173.90 3kdy n ASP 16 N 3.66 1.78 -0.18 4.85 5.68 -1.26 -4.63 116.55 126.46 3kdy n ASP 16 Ca 0.25 -1.36 -0.02 0.00 -0.50 0.00 0.00 54.79 53.16 3kdy n ASP 16 Cb 0.41 0.38 -0.01 0.00 -1.14 0.00 0.00 41.12 40.76 3kdy n ASP 16 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kdy n GLY 17 N 1.40 0.49 0.00 6.12 0.00 -1.25 -4.21 105.19 107.72 3kdy n GLY 17 Ca 0.10 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.17 3kdy n GLY 17 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kdy n GLU 18 N -2.57 2.09 -0.00 1.61 -0.58 -1.26 -4.42 120.64 115.50 3kdy n GLU 18 Ca -0.02 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.73 3kdy n GLU 18 Cb 0.16 -0.35 -0.01 0.00 -0.57 0.00 0.00 31.44 30.67 3kdy n GLU 18 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3kdy n THR 19 N -0.25 0.00 -1.49 2.62 -2.24 -1.26 -4.93 114.28 106.73 3kdy n THR 19 Ca 0.00 -0.18 -0.50 0.00 -2.27 0.00 0.00 64.05 61.10 3kdy n THR 19 Cb 0.00 0.64 -0.04 0.00 -2.10 0.00 0.00 70.33 68.83 3kdy n THR 19 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3kdy n LEU 20 N -1.39 0.10 -4.56 3.22 7.94 -1.26 -4.98 117.00 116.07 3kdy n LEU 20 Ca -0.00 1.15 -0.26 0.00 -1.11 0.00 0.00 56.01 55.78 3kdy n LEU 20 Cb 0.04 -1.06 -0.10 0.00 0.53 0.00 0.00 43.42 42.83 3kdy n LEU 20 CO 0.04 -2.14 -0.36 0.42 -1.11 0.00 0.00 177.39 174.24 3kdy s THR 21 N -0.60 2.24 0.08 1.96 -4.23 -1.26 -4.71 115.64 109.11 3kdy s THR 21 Ca 0.71 -2.15 -0.21 0.00 -1.18 0.00 0.00 61.69 58.85 3kdy s THR 21 Cb -0.95 -2.71 -0.12 0.00 1.34 0.00 0.00 72.50 70.06 3kdy s THR 21 CO 0.56 -0.17 1.60 0.58 -0.54 0.00 0.00 174.62 176.65 3kdy h VAL 22 N 1.96 1.16 -0.87 2.29 2.07 -1.92 -1.96 116.25 118.99 3kdy h VAL 22 Ca -0.42 -0.49 0.07 0.00 0.82 0.00 0.00 66.70 66.68 3kdy h VAL 22 Cb 1.25 1.25 -0.06 0.00 -1.52 0.00 0.00 31.29 32.22 3kdy h VAL 22 CO 0.72 0.15 0.56 -0.08 0.02 0.00 0.00 177.57 178.94 3kdy h GLU 23 N 0.04 0.92 -0.27 1.57 4.22 -1.97 -1.10 114.58 117.99 3kdy h GLU 23 Ca 0.04 -0.06 -0.11 0.00 0.08 0.00 0.00 59.36 59.32 3kdy h GLU 23 Cb 0.19 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3kdy h GLU 23 CO -0.00 0.61 -0.28 0.00 -2.18 0.00 0.00 179.01 177.15 3kdy h ALA 24 N 1.54 1.01 -0.56 2.92 0.00 -1.92 -2.56 119.26 119.69 3kdy h ALA 24 Ca 0.38 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3kdy h ALA 24 Cb 0.25 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3kdy h ALA 24 CO -0.14 0.59 0.16 0.28 0.00 0.00 0.00 179.25 180.13 3kdy h VAL 25 N 0.46 1.23 -0.06 0.00 2.07 -0.43 -2.26 116.25 117.26 3kdy h VAL 25 Ca 0.06 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 3kdy h VAL 25 Cb 0.73 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3kdy h VAL 25 CO 0.06 0.30 0.01 0.03 0.02 0.00 0.00 177.57 177.99 3kdy h ARG 26 N 0.83 0.10 -0.43 1.57 3.08 -1.15 0.46 114.38 118.84 3kdy h ARG 26 Ca 0.19 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.30 3kdy h ARG 26 Cb 0.27 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.23 3kdy h ARG 26 CO -0.01 0.31 -0.11 0.00 -1.07 0.00 0.00 179.97 179.10 3kdy h ARG 27 N -0.14 0.00 -0.30 0.04 3.08 -1.22 2.31 114.38 118.15 3kdy h ARG 27 Ca 0.02 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3kdy h ARG 27 Cb 0.26 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 3kdy h ARG 27 CO 0.00 0.00 0.14 0.28 -1.07 0.00 0.00 179.97 179.32 3kdy h VAL 28 N 0.00 1.16 0.26 2.04 2.07 -1.33 1.03 116.25 121.49 3kdy h VAL 28 Ca 0.20 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 3kdy h VAL 28 Cb 0.31 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3kdy h VAL 28 CO -0.44 0.17 -0.12 0.00 0.02 0.00 0.00 177.57 177.20 3kdy h ALA 29 N 0.99 -0.35 -0.92 1.67 0.00 0.24 -3.18 119.26 117.71 3kdy h ALA 29 Ca 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3kdy h ALA 29 Cb 0.14 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3kdy h ALA 29 CO -0.01 -0.51 0.00 0.39 0.00 0.00 0.00 179.25 179.12 3kdy n GLU 30 N -5.09 0.00 0.32 0.00 1.02 0.77 -4.37 120.64 113.29 3kdy n GLU 30 Ca -0.09 0.24 0.20 0.00 -0.02 0.00 0.00 57.16 57.49 3kdy n GLU 30 Cb 0.25 -0.70 1.05 0.00 -0.02 0.00 0.00 31.44 32.03 3kdy n GLU 30 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3kdy h GLU 31 N 0.00 0.00 0.00 3.49 5.08 -1.22 -3.45 114.58 118.48 3kdy h GLU 31 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kdy h GLU 31 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3kdy h GLU 31 CO 0.00 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.55 3kdy n ARG 32 N -2.92 0.00 -1.41 2.33 1.74 0.34 -4.96 116.66 111.78 3kdy n ARG 32 Ca -0.03 0.05 -0.50 0.00 -0.77 0.00 0.00 57.85 56.61 3kdy n ARG 32 Cb 0.14 -2.58 -0.04 0.00 -1.02 0.00 0.00 32.46 28.96 3kdy n ARG 32 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kdy n ALA 33 N 0.47 -3.03 -1.77 7.54 0.00 -0.27 -4.84 120.51 118.60 3kdy n ALA 33 Ca 0.00 0.47 -0.36 0.00 0.00 0.00 0.00 53.44 53.55 3kdy n ALA 33 Cb 0.00 -1.63 -0.01 0.00 0.00 0.00 0.00 19.45 17.82 3kdy n ALA 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3kdy s THR 34 N -0.77 3.15 -0.11 0.00 2.01 -1.26 -4.38 115.64 114.27 3kdy s THR 34 Ca 0.69 0.81 0.03 0.00 0.31 0.00 0.00 61.69 63.53 3kdy s THR 34 Cb -1.00 -3.39 -0.01 0.00 0.01 0.00 0.00 72.50 68.12 3kdy s THR 34 CO 0.56 -0.06 -0.21 0.54 -0.69 0.00 0.00 174.62 174.76 3kdy s VAL 35 N -1.62 2.37 -0.06 3.82 0.11 -1.26 0.16 120.40 123.92 3kdy s VAL 35 Ca 0.66 -0.91 0.03 0.00 -2.93 0.00 0.00 61.98 58.84 3kdy s VAL 35 Cb -0.27 -1.93 0.00 0.00 -1.53 0.00 0.00 36.38 32.65 3kdy s VAL 35 CO 0.32 0.55 -0.17 -0.62 -3.33 0.00 0.00 175.10 171.85 3kdy s ASP 36 N 0.32 2.20 -0.56 3.54 2.15 0.11 -4.90 116.67 119.52 3kdy s ASP 36 Ca -0.16 -0.37 -0.19 0.00 0.43 0.00 0.00 52.55 52.26 3kdy s ASP 36 Cb -0.17 -0.84 0.08 0.00 -0.30 0.00 0.00 42.92 41.69 3kdy s ASP 36 CO 0.08 0.11 0.68 -0.69 -0.17 0.00 0.00 175.17 175.18 3kdy s VAL 37 N 0.33 4.82 0.19 1.11 1.01 -1.26 -2.69 120.40 123.91 3kdy s VAL 37 Ca -0.11 -0.77 -0.26 0.00 0.00 0.00 0.00 61.98 60.84 3kdy s VAL 37 Cb -0.14 -4.42 -0.16 0.00 0.00 0.00 0.00 36.38 31.65 3kdy s VAL 37 CO 0.04 -1.01 0.49 -0.81 0.00 0.00 0.00 175.10 173.80 3kdy n PRO 38 N 6.33 0.00 0.30 2.72 -0.04 -1.26 -4.68 135.00 138.36 3kdy n PRO 38 Ca -0.08 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.53 3kdy n PRO 38 Cb 0.44 -0.94 0.93 0.00 -0.04 0.00 0.00 33.50 33.88 3kdy n PRO 38 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kdy h ALA 39 N 0.94 1.48 -0.41 0.55 0.00 -1.99 -0.95 119.26 118.88 3kdy h ALA 39 Ca -0.27 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 3kdy h ALA 39 Cb 1.36 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 3kdy h ALA 39 CO 0.54 0.01 -0.23 1.05 0.00 0.00 0.00 179.25 180.61 3kdy h GLU 40 N 0.00 0.84 -0.18 0.00 4.11 -2.00 -1.95 114.58 115.41 3kdy h GLU 40 Ca -0.00 -0.35 -0.06 0.00 0.07 0.00 0.00 59.36 59.02 3kdy h GLU 40 Cb 0.02 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 3kdy h GLU 40 CO 0.00 0.99 -0.10 0.77 0.07 0.00 0.00 179.01 180.74 3kdy h SER 41 N 0.73 0.40 -0.50 3.06 0.02 -1.50 -2.29 113.55 113.47 3kdy h SER 41 Ca 0.10 -0.43 0.07 0.00 -0.84 0.00 0.00 61.79 60.69 3kdy h SER 41 Cb 0.77 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.17 3kdy h SER 41 CO 0.06 0.74 0.33 0.40 -1.14 0.00 0.00 176.83 177.23 3kdy h ILE 42 N 0.06 0.95 0.18 3.27 1.08 -1.39 -0.52 117.51 121.15 3kdy h ILE 42 Ca 0.04 -0.14 -0.01 0.00 -0.39 0.00 0.00 64.86 64.36 3kdy h ILE 42 Cb 0.60 0.52 0.00 0.00 -3.07 0.00 0.00 36.82 34.87 3kdy h ILE 42 CO 0.03 0.07 -0.09 0.00 -0.69 0.00 0.00 178.15 177.47 3kdy h ALA 43 N 1.74 -0.25 -0.47 1.87 0.00 -1.15 0.26 119.26 121.26 3kdy h ALA 43 Ca 0.22 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 55.08 3kdy h ALA 43 Cb 0.36 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3kdy h ALA 43 CO -0.06 -0.47 0.33 -0.22 0.00 0.00 0.00 179.25 178.84 3kdy h LYS 44 N -0.59 0.01 0.12 0.00 3.64 -0.80 0.38 116.57 119.33 3kdy h LYS 44 Ca -0.03 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3kdy h LYS 44 Cb 0.44 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3kdy h LYS 44 CO 0.04 0.01 -0.06 0.00 -2.27 0.00 0.00 179.45 177.17 3kdy h ALA 45 N 1.77 -0.16 -0.84 5.00 0.00 -0.80 -2.31 119.26 121.92 3kdy h ALA 45 Ca 0.22 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 55.15 3kdy h ALA 45 Cb 0.87 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.63 3kdy h ALA 45 CO -0.01 -0.16 0.44 0.37 0.00 0.00 0.00 179.25 179.89 3kdy h GLN 46 N -1.02 0.63 0.07 0.00 5.75 -0.13 0.42 115.11 120.84 3kdy h GLN 46 Ca -0.02 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.44 3kdy h GLN 46 Cb 0.28 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.69 3kdy h GLN 46 CO 0.03 0.42 -0.04 -0.22 -2.65 0.00 0.00 178.83 176.37 3kdy h LYS 47 N 0.65 -0.09 0.00 1.69 3.64 -1.05 -2.86 116.57 118.55 3kdy h LYS 47 Ca 0.45 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.80 3kdy h LYS 47 Cb 0.59 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3kdy h LYS 47 CO -0.34 0.18 -0.16 0.66 -2.27 0.00 0.00 179.45 177.52 3kdy h SER 48 N -0.37 0.00 0.84 4.20 4.64 -0.78 -1.16 113.55 120.93 3kdy h SER 48 Ca -0.01 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 3kdy h SER 48 Cb 0.32 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3kdy h SER 48 CO 0.02 0.16 -0.10 -0.09 -0.87 0.00 0.00 176.83 175.94 3kdy h ARG 49 N 0.00 0.00 0.12 4.77 9.65 -0.02 -2.32 114.38 126.59 3kdy h ARG 49 Ca -0.00 0.00 -0.22 0.00 -1.10 0.00 0.00 59.98 58.66 3kdy h ARG 49 Cb 0.30 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.89 3kdy h ARG 49 CO 0.02 0.10 -1.07 1.49 2.80 0.00 0.00 179.97 183.31 3kdy h GLU 50 N 0.00 0.26 -0.37 0.20 4.81 -1.00 -2.87 114.58 115.61 3kdy h GLU 50 Ca -0.00 -0.44 -0.02 0.00 -0.13 0.00 0.00 59.36 58.77 3kdy h GLU 50 Cb 0.55 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 3kdy h GLU 50 CO 0.01 1.21 0.16 0.82 -0.73 0.00 0.00 179.01 180.49 3kdy h ILE 51 N -0.38 1.18 -0.49 2.32 2.04 -1.44 -2.65 117.51 118.09 3kdy h ILE 51 Ca -0.22 -0.54 -0.05 0.00 1.00 0.00 0.00 64.86 65.06 3kdy h ILE 51 Cb 1.67 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.57 3kdy h ILE 51 CO 0.10 0.20 0.10 0.15 0.00 0.00 0.00 178.15 178.69 3kdy h PHE 52 N 0.46 0.83 -0.88 1.37 3.57 -1.57 -2.95 116.94 117.78 3kdy h PHE 52 Ca 0.13 -0.11 0.07 0.00 3.53 0.00 0.00 57.97 61.59 3kdy h PHE 52 Cb 0.16 -0.23 -0.06 0.00 2.79 0.00 0.00 35.95 38.60 3kdy h PHE 52 CO -0.01 0.75 0.54 0.93 -2.23 0.00 0.00 178.31 178.30 3kdy h GLU 53 N 0.67 0.94 -0.63 1.11 5.08 -1.40 -1.16 114.58 119.19 3kdy h GLU 53 Ca 0.15 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3kdy h GLU 53 Cb 0.35 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3kdy h GLU 53 CO 0.00 0.62 0.32 0.78 -1.00 0.00 0.00 179.01 179.73 3kdy h GLY 54 N 0.97 0.94 0.66 -3.84 0.00 -1.31 0.21 103.07 100.70 3kdy h GLY 54 Ca 0.39 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 3kdy h GLY 54 CO -0.19 0.41 -0.12 -2.22 0.00 0.00 0.00 176.54 174.43 3kdy h ILE 55 N 0.88 0.81 0.00 2.60 2.04 -1.10 -2.96 117.51 119.78 3kdy h ILE 55 Ca 0.22 -0.65 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 3kdy h ILE 55 Cb 0.07 1.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 3kdy h ILE 55 CO -0.03 0.13 -0.09 0.00 0.00 0.00 0.00 178.15 178.17 3kdy h ALA 56 N -0.05 1.24 0.00 1.87 0.00 -1.16 -1.77 119.26 119.40 3kdy h ALA 56 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3kdy h ALA 56 Cb 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3kdy h ALA 56 CO 0.06 0.11 0.00 0.39 0.00 0.00 0.00 179.25 179.80 3kdy n GLU 57 N -3.54 0.30 -0.25 0.00 -0.58 0.73 -1.76 120.64 115.53 3kdy n GLU 57 Ca -0.02 0.10 0.08 0.00 -0.42 0.00 0.00 57.16 56.90 3kdy n GLU 57 Cb 0.22 -1.50 0.22 0.00 -0.57 0.00 0.00 31.44 29.80 3kdy n GLU 57 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3kdy n GLN 58 N -1.19 2.83 -3.01 3.49 6.02 -0.67 -4.96 117.38 119.89 3kdy n GLN 58 Ca 0.09 -2.29 -0.22 0.00 -0.01 0.00 0.00 57.00 54.57 3kdy n GLN 58 Cb 0.10 -1.39 0.04 0.00 1.02 0.00 0.00 30.24 30.01 3kdy n GLN 58 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3kdy n ASN 59 N 0.92 -6.04 -4.81 1.08 3.02 -0.72 -4.98 115.26 103.73 3kdy n ASN 59 Ca 0.16 -0.29 -0.35 0.00 -0.03 0.00 0.00 54.58 54.07 3kdy n ASN 59 Cb 0.51 -4.85 -0.06 0.00 -0.61 0.00 0.00 39.78 34.76 3kdy n ASN 59 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3kdy s ILE 60 N -3.17 4.43 -0.19 2.41 1.01 -1.26 -4.97 121.20 119.46 3kdy s ILE 60 Ca 0.30 1.46 -0.28 0.00 0.00 0.00 0.00 60.65 62.13 3kdy s ILE 60 Cb -0.13 -3.84 -0.05 0.00 0.01 0.00 0.00 42.46 38.44 3kdy s ILE 60 CO 0.38 0.05 2.16 -2.84 0.00 0.00 0.00 174.94 174.69 3kdy s PRO 61 N -2.32 3.28 -0.04 2.79 0.02 -1.26 -4.73 135.00 132.73 3kdy s PRO 61 Ca 0.50 2.08 -0.02 0.00 0.02 0.00 0.00 61.00 63.57 3kdy s PRO 61 Cb -0.15 -4.33 0.03 0.00 0.02 0.00 0.00 34.50 30.07 3kdy s PRO 61 CO 0.20 -1.93 0.07 0.42 -0.33 0.00 0.00 177.00 175.43 3kdy s ILE 62 N 7.70 -0.12 0.37 2.83 1.01 -1.26 -5.01 121.20 126.72 3kdy s ILE 62 Ca 0.98 0.38 -0.26 0.00 0.00 0.00 0.00 60.65 61.74 3kdy s ILE 62 Cb -0.34 -0.16 -0.12 0.00 0.01 0.00 0.00 42.46 41.86 3kdy s ILE 62 CO 0.36 0.16 1.14 0.00 0.00 0.00 0.00 174.94 176.60 3kdy n TYR 63 N 5.09 1.69 -0.91 3.97 9.36 -1.26 -0.25 117.16 134.85 3kdy n TYR 63 Ca -0.08 0.57 0.00 0.00 3.32 0.00 0.00 57.90 61.71 3kdy n TYR 63 Cb 0.50 -2.31 0.00 0.00 -0.63 0.00 0.00 39.34 36.90 3kdy n TYR 63 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3kdy n GLY 64 N 1.00 0.06 0.40 2.98 0.00 -1.25 -4.61 105.19 103.77 3kdy n GLY 64 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3kdy n GLY 64 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kdy n VAL 65 N -2.08 0.00 -0.63 1.61 0.31 -0.63 -4.36 118.33 112.55 3kdy n VAL 65 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3kdy n VAL 65 Cb 0.36 -0.56 0.00 0.00 -0.91 0.00 0.00 33.84 32.73 3kdy n VAL 65 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3kdy n THR 66 N -2.34 0.41 -4.24 2.52 -2.24 0.66 -4.87 114.28 104.17 3kdy n THR 66 Ca 0.00 -0.41 -0.13 0.00 -2.27 0.00 0.00 64.05 61.24 3kdy n THR 66 Cb 0.32 0.79 -0.10 0.00 -2.10 0.00 0.00 70.33 69.24 3kdy n THR 66 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3kdy s THR 67 N -0.42 0.65 1.37 4.28 -4.23 -1.20 0.60 115.64 116.69 3kdy s THR 67 Ca 0.00 -1.98 -0.20 0.00 -1.18 0.00 0.00 61.69 58.34 3kdy s THR 67 Cb 0.00 -2.14 0.35 0.00 1.34 0.00 0.00 72.50 72.06 3kdy s THR 67 CO 0.00 -0.46 0.94 -0.83 -0.54 0.00 0.00 174.62 173.73 3kdy s GLY 68 N -3.17 1.43 -0.05 3.99 0.00 0.22 -3.81 107.32 105.93 3kdy s GLY 68 Ca 0.24 -0.57 -0.01 0.00 0.00 0.00 0.00 44.72 44.38 3kdy s GLY 68 CO 0.04 0.36 0.04 -0.19 0.00 0.00 0.00 173.10 173.35 3kdy s TYR 69 N -2.24 3.23 0.00 1.90 1.51 -1.25 -4.12 117.35 116.37 3kdy s TYR 69 Ca 0.68 0.21 0.00 0.00 -1.01 0.00 0.00 57.07 56.96 3kdy s TYR 69 Cb -0.18 -1.77 0.00 0.00 -0.11 0.00 0.00 41.96 39.90 3kdy s TYR 69 CO 0.61 0.52 0.00 0.41 -1.11 0.00 0.00 175.55 175.98 3kdy n GLY 70 N 1.74 3.43 0.35 0.71 0.00 -1.26 -1.77 105.19 108.40 3kdy n GLY 70 Ca -0.17 -0.08 0.18 0.00 0.00 0.00 0.00 46.02 45.95 3kdy n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kdy h ALA 71 N -0.83 1.83 -0.32 4.61 0.00 -1.95 -1.30 119.26 121.30 3kdy h ALA 71 Ca 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 3kdy h ALA 71 Cb 0.00 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 3kdy h ALA 71 CO 0.00 -0.40 0.14 -1.33 0.00 0.00 0.00 179.25 177.66 3kdy n MET 72 N -3.66 2.02 0.00 0.00 2.00 -0.73 -4.17 117.12 112.58 3kdy n MET 72 Ca 0.03 -1.25 0.06 0.00 0.00 0.00 0.00 57.70 56.54 3kdy n MET 72 Cb 0.41 -1.64 0.30 0.00 0.00 0.00 0.00 33.22 32.29 3kdy n MET 72 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 175.97 177.48 3kdy n ILE 73 N 0.03 0.96 0.91 2.02 3.06 -0.49 -1.39 119.36 124.46 3kdy n ILE 73 Ca 0.18 0.24 0.14 0.00 -2.50 0.00 0.00 62.75 60.81 3kdy n ILE 73 Cb 0.82 -1.02 0.53 0.00 0.54 0.00 0.00 39.64 40.50 3kdy n ILE 73 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3kdy n TYR 74 N -1.43 0.21 -3.16 9.51 4.11 -1.26 -4.40 117.16 120.74 3kdy n TYR 74 Ca 0.04 0.06 -0.40 0.00 -0.00 0.00 0.00 57.90 57.60 3kdy n TYR 74 Cb 0.14 -0.57 -0.06 0.00 -0.00 0.00 0.00 39.34 38.84 3kdy n TYR 74 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.86 175.22 3kdy s MET 75 N -3.03 4.15 -0.21 -3.48 -1.94 -0.49 -4.96 119.30 109.35 3kdy s MET 75 Ca 0.13 0.50 -0.15 0.00 -1.71 0.00 0.00 55.69 54.46 3kdy s MET 75 Cb 0.17 -3.61 -0.04 0.00 2.01 0.00 0.00 34.83 33.36 3kdy s MET 75 CO 0.57 -0.30 0.36 -0.65 -0.01 0.00 0.00 175.02 174.99 3kdy s GLN 76 N 2.13 4.15 -0.17 2.03 -1.52 -1.26 0.73 119.66 125.76 3kdy s GLN 76 Ca 0.26 0.13 -0.04 0.00 -1.95 0.00 0.00 55.36 53.76 3kdy s GLN 76 Cb -0.16 -3.54 -0.02 0.00 -0.22 0.00 0.00 33.01 29.07 3kdy s GLN 76 CO 0.09 -0.03 -0.04 0.08 -0.25 0.00 0.00 175.29 175.14 3kdy s VAL 77 N 1.29 3.73 0.48 1.09 1.01 0.20 -4.94 120.40 123.26 3kdy s VAL 77 Ca 0.17 -0.41 -0.23 0.00 0.00 0.00 0.00 61.98 61.52 3kdy s VAL 77 Cb -0.15 -2.65 -0.07 0.00 0.00 0.00 0.00 36.38 33.52 3kdy s VAL 77 CO 0.07 0.47 1.22 -0.62 0.00 0.00 0.00 175.10 176.24 3kdy s ASP 78 N 0.65 5.94 0.03 3.32 2.15 -1.26 -4.50 116.67 123.00 3kdy s ASP 78 Ca -0.03 2.43 0.02 0.00 0.43 0.00 0.00 52.55 55.40 3kdy s ASP 78 Cb -0.14 -2.61 0.11 0.00 -0.30 0.00 0.00 42.92 39.98 3kdy s ASP 78 CO 0.02 -1.08 1.05 2.29 -0.17 0.00 0.00 175.17 177.28 3kdy n LYS 79 N -0.61 0.01 0.28 4.34 2.85 -1.26 -1.83 118.16 121.94 3kdy n LYS 79 Ca 0.08 0.50 0.18 0.00 -1.05 0.00 0.00 58.31 58.02 3kdy n LYS 79 Cb 0.47 -1.56 0.86 0.00 -0.65 0.00 0.00 35.03 34.16 3kdy n LYS 79 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3kdy h SER 80 N 0.00 0.00 -0.47 -5.58 4.64 -1.98 -2.16 113.55 108.00 3kdy h SER 80 Ca 0.00 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.06 3kdy h SER 80 Cb 0.03 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 61.96 3kdy h SER 80 CO 0.00 0.00 -0.02 0.29 -0.87 0.00 0.00 176.83 176.23 3kdy n LYS 81 N -2.93 2.02 -0.24 4.77 4.76 -0.76 -4.79 118.16 120.98 3kdy n LYS 81 Ca -0.01 -3.25 0.05 0.00 -2.87 0.00 0.00 58.31 52.23 3kdy n LYS 81 Cb 0.19 -1.91 0.17 0.00 -1.84 0.00 0.00 35.03 31.64 3kdy n LYS 81 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 3kdy h GLU 82 N 1.12 0.26 0.07 1.97 4.81 -1.58 -0.79 114.58 120.45 3kdy h GLU 82 Ca 0.29 -0.02 -0.25 0.00 -0.13 0.00 0.00 59.36 59.26 3kdy h GLU 82 Cb 1.73 -0.06 0.02 0.00 0.63 0.00 0.00 28.75 31.08 3kdy h GLU 82 CO 0.54 0.17 -1.03 0.28 -0.73 0.00 0.00 179.01 178.24 3kdy h VAL 83 N 0.27 1.33 -0.55 0.32 2.07 -1.87 -3.26 116.25 114.56 3kdy h VAL 83 Ca 0.40 -2.34 -0.06 0.00 0.82 0.00 0.00 66.70 65.52 3kdy h VAL 83 Cb 0.68 2.66 -0.02 0.00 -1.52 0.00 0.00 31.29 33.08 3kdy h VAL 83 CO -0.50 0.70 0.11 -0.08 0.02 0.00 0.00 177.57 177.83 3kdy h GLU 84 N 0.16 0.86 -0.63 1.57 4.81 -1.83 -0.58 114.58 118.94 3kdy h GLU 84 Ca -0.15 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 58.89 3kdy h GLU 84 Cb 1.72 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.95 3kdy h GLU 84 CO 0.20 0.79 0.37 1.25 -0.73 0.00 0.00 179.01 180.89 3kdy h LEU 85 N 0.82 0.76 -0.18 1.64 5.85 -1.24 0.28 115.31 123.24 3kdy h LEU 85 Ca 0.18 -0.07 -0.19 0.00 0.84 0.00 0.00 57.88 58.64 3kdy h LEU 85 Cb 0.33 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3kdy h LEU 85 CO 0.00 0.60 -0.91 1.56 -0.34 0.00 0.00 178.44 179.35 3kdy h GLN 86 N 0.85 0.01 0.12 1.25 1.08 -1.56 -3.09 115.11 113.77 3kdy h GLN 86 Ca 0.22 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.40 3kdy h GLN 86 Cb -0.01 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 3kdy h GLN 86 CO -0.04 0.91 -0.06 1.15 -0.95 0.00 0.00 178.83 179.85 3kdy h THR 87 N 0.00 1.04 -0.51 -0.54 2.02 -0.78 -2.89 112.91 111.24 3kdy h THR 87 Ca -0.01 -1.21 0.15 0.00 0.77 0.00 0.00 66.41 66.11 3kdy h THR 87 Cb 1.61 1.73 -0.02 0.00 -1.74 0.00 0.00 68.15 69.73 3kdy h THR 87 CO 0.12 0.26 0.39 0.78 0.37 0.00 0.00 175.52 177.44 3kdy h ASN 88 N -0.78 0.00 0.23 4.18 4.21 -0.57 -2.17 115.58 120.68 3kdy h ASN 88 Ca -0.02 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.48 3kdy h ASN 88 Cb 0.55 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.76 3kdy h ASN 88 CO 0.03 0.00 -0.11 0.25 -1.29 0.00 0.00 177.43 176.31 3kdy h LEU 89 N 0.00 -0.26 -0.69 1.61 5.85 -1.50 -0.80 115.31 119.53 3kdy h LEU 89 Ca 0.24 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.76 3kdy h LEU 89 Cb 1.01 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.06 3kdy h LEU 89 CO -0.00 0.14 0.41 0.58 -0.34 0.00 0.00 178.44 179.23 3kdy h VAL 90 N -0.72 1.05 0.53 1.05 2.07 -1.20 -1.12 116.25 117.91 3kdy h VAL 90 Ca -0.03 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 3kdy h VAL 90 Cb 0.49 0.19 0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3kdy h VAL 90 CO 0.05 0.14 -0.25 0.03 0.02 0.00 0.00 177.57 177.56 3kdy h ARG 91 N 0.79 -0.68 -0.47 1.57 3.08 -1.48 -2.11 114.38 115.08 3kdy h ARG 91 Ca 0.29 0.05 0.14 0.00 0.07 0.00 0.00 59.98 60.52 3kdy h ARG 91 Cb 0.08 0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 3kdy h ARG 91 CO -0.13 -0.46 0.43 0.66 -1.07 0.00 0.00 179.97 179.40 3kdy h SER 92 N -1.07 0.00 -0.13 7.04 4.64 -1.13 0.16 113.55 123.06 3kdy h SER 92 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3kdy h SER 92 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3kdy h SER 92 CO 0.12 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.49 3kdy n HIS 93 N -3.94 0.15 -2.09 4.77 8.25 -0.43 -4.62 115.22 117.31 3kdy n HIS 93 Ca 0.09 -0.07 -0.42 0.00 -0.26 0.00 0.00 57.72 57.05 3kdy n HIS 93 Cb 0.63 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.74 3kdy n HIS 93 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3kdy n SER 94 N 1.25 4.54 -1.83 0.41 7.64 0.56 -4.28 113.62 121.91 3kdy n SER 94 Ca 0.16 -2.98 -0.10 0.00 1.01 0.00 0.00 58.87 56.96 3kdy n SER 94 Cb 0.57 -1.57 0.07 0.00 -1.01 0.00 0.00 64.21 62.27 3kdy n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kdy n ALA 95 N 5.11 3.99 -1.77 -0.43 0.00 -1.26 -5.00 120.51 121.15 3kdy n ALA 95 Ca 0.46 -3.35 -0.37 0.00 0.00 0.00 0.00 53.44 50.18 3kdy n ALA 95 Cb 0.38 -0.48 -0.03 0.00 0.00 0.00 0.00 19.45 19.33 3kdy n ALA 95 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kdy s GLY 96 N -3.42 2.80 0.33 0.00 0.00 -1.26 -4.89 107.32 100.88 3kdy s GLY 96 Ca 0.42 0.85 0.03 0.00 0.00 0.00 0.00 44.72 46.02 3kdy s GLY 96 CO -0.02 1.32 0.10 -1.34 0.00 0.00 0.00 173.10 173.16 3kdy s VAL 97 N -1.54 0.77 0.00 1.40 -7.23 0.04 -4.88 120.40 108.96 3kdy s VAL 97 Ca 0.59 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 3kdy s VAL 97 Cb -0.27 -2.60 0.00 0.00 0.56 0.00 0.00 36.38 34.07 3kdy s VAL 97 CO 0.33 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.73 3kdy n GLY 98 N -0.68 -1.84 3.76 2.32 0.00 -1.26 -1.73 105.19 105.76 3kdy n GLY 98 Ca -0.02 -1.69 -0.31 0.00 0.00 0.00 0.00 46.02 44.00 3kdy n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kdy s PRO 99 N 0.00 2.17 0.16 1.61 0.04 -1.26 -4.63 135.00 133.09 3kdy s PRO 99 Ca 0.00 1.14 -0.16 0.00 0.04 0.00 0.00 61.00 62.03 3kdy s PRO 99 Cb 0.00 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 32.58 3kdy s PRO 99 CO 0.00 -1.70 0.59 -0.51 0.04 0.00 0.00 177.00 175.42 3kdy s LEU 100 N -5.95 4.34 0.55 -3.56 1.43 -1.26 -0.27 118.68 113.95 3kdy s LEU 100 Ca 0.61 1.16 -0.20 0.00 -1.03 0.00 0.00 54.13 54.67 3kdy s LEU 100 Cb -0.17 -3.34 -0.05 0.00 0.03 0.00 0.00 46.19 42.65 3kdy s LEU 100 CO 0.56 0.09 1.21 -0.36 0.23 0.00 0.00 176.35 178.07 3kdy s PHE 101 N -1.48 2.53 0.53 0.29 0.40 0.44 -4.85 117.98 115.83 3kdy s PHE 101 Ca 0.39 1.51 -0.21 0.00 -0.60 0.00 0.00 56.93 58.01 3kdy s PHE 101 Cb -0.15 -3.47 -0.05 0.00 0.51 0.00 0.00 43.02 39.85 3kdy s PHE 101 CO 0.20 -2.05 1.24 0.00 0.70 0.00 0.00 175.22 175.31 3kdy s ALA 102 N -1.57 2.78 0.23 5.36 0.00 -1.26 -4.62 121.76 122.67 3kdy s ALA 102 Ca 0.73 1.09 -0.18 0.00 0.00 0.00 0.00 51.96 53.60 3kdy s ALA 102 Cb -0.30 -3.47 0.23 0.00 0.00 0.00 0.00 23.12 19.59 3kdy s ALA 102 CO 0.34 -1.06 1.55 1.49 0.00 0.00 0.00 175.76 178.09 3kdy h GLU 103 N 1.46 -0.01 -0.53 0.00 4.81 -1.96 0.34 114.58 118.69 3kdy h GLU 103 Ca -0.50 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 58.74 3kdy h GLU 103 Cb 1.28 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.63 3kdy h GLU 103 CO 0.57 -0.01 0.34 0.38 -0.73 0.00 0.00 179.01 179.56 3kdy h ASP 104 N -0.01 0.57 0.34 1.04 3.04 -1.91 -1.25 116.42 118.23 3kdy h ASP 104 Ca 0.34 -0.01 -0.01 0.00 -3.24 0.00 0.00 57.03 54.11 3kdy h ASP 104 Cb 0.60 -0.13 -0.00 0.00 -1.04 0.00 0.00 39.33 38.75 3kdy h ASP 104 CO -0.96 0.41 -0.19 -0.33 -2.04 0.00 0.00 179.24 176.12 3kdy h GLU 105 N 0.68 -0.48 -0.93 4.15 5.08 -0.84 -1.10 114.58 121.15 3kdy h GLU 105 Ca 0.21 0.03 0.16 0.00 -1.00 0.00 0.00 59.36 58.76 3kdy h GLU 105 Cb -0.03 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.25 3kdy h GLU 105 CO -0.07 -0.32 0.59 0.00 -1.00 0.00 0.00 179.01 178.22 3kdy h ALA 106 N 0.16 1.82 -0.32 3.43 0.00 -0.31 -1.19 119.26 122.84 3kdy h ALA 106 Ca -0.04 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3kdy h ALA 106 Cb 0.40 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3kdy h ALA 106 CO 0.05 -0.09 -0.12 0.00 0.00 0.00 0.00 179.25 179.09 3kdy h ARG 107 N 0.71 0.65 -0.81 0.00 3.08 -0.76 -2.22 114.38 115.02 3kdy h ARG 107 Ca 0.48 -0.27 0.02 0.00 0.07 0.00 0.00 59.98 60.29 3kdy h ARG 107 Cb 0.78 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.76 3kdy h ARG 107 CO -0.24 0.85 0.53 0.00 -1.07 0.00 0.00 179.97 180.04 3kdy h ALA 108 N 0.78 1.06 0.51 0.04 0.00 -0.09 0.21 119.26 121.77 3kdy h ALA 108 Ca 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3kdy h ALA 108 Cb 0.64 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kdy h ALA 108 CO 0.04 0.37 -0.30 0.82 0.00 0.00 0.00 179.25 180.19 3kdy h ILE 109 N 1.04 0.39 -0.81 0.00 2.04 -1.14 0.21 117.51 119.24 3kdy h ILE 109 Ca 0.32 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.19 3kdy h ILE 109 Cb -0.04 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 36.39 3kdy h ILE 109 CO -0.10 0.00 0.53 0.58 0.00 0.00 0.00 178.15 179.16 3kdy h VAL 110 N -0.76 1.18 -0.81 1.67 2.07 -1.14 -1.51 116.25 116.95 3kdy h VAL 110 Ca -0.06 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.12 3kdy h VAL 110 Cb 0.61 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 3kdy h VAL 110 CO 0.07 0.19 0.53 0.00 0.02 0.00 0.00 177.57 178.39 3kdy h ALA 111 N 1.31 1.47 -0.28 1.67 0.00 -0.33 0.11 119.26 123.21 3kdy h ALA 111 Ca 0.31 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.03 3kdy h ALA 111 Cb -0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 3kdy h ALA 111 CO -0.08 0.47 -0.39 0.00 0.00 0.00 0.00 179.25 179.25 3kdy h ALA 112 N 1.51 0.80 -0.05 0.00 0.00 -0.12 -2.46 119.26 118.94 3kdy h ALA 112 Ca 0.31 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3kdy h ALA 112 Cb -0.04 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3kdy h ALA 112 CO -0.08 0.65 -0.07 -0.09 0.00 0.00 0.00 179.25 179.66 3kdy h ARG 113 N 0.54 0.14 -0.57 0.00 9.65 -0.51 -2.16 114.38 121.48 3kdy h ARG 113 Ca 0.05 -0.08 0.11 0.00 -1.10 0.00 0.00 59.98 58.96 3kdy h ARG 113 Cb 0.91 0.01 -0.09 0.00 -1.39 0.00 0.00 29.97 29.41 3kdy h ARG 113 CO 0.08 0.62 0.07 1.25 2.80 0.00 0.00 179.97 184.79 3kdy h LEU 114 N -0.33 -0.11 -1.67 3.80 5.85 -0.81 0.15 115.31 122.19 3kdy h LEU 114 Ca 0.01 0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 3kdy h LEU 114 Cb 0.61 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 3kdy h LEU 114 CO 0.02 -0.04 -0.17 -1.13 -0.34 0.00 0.00 178.44 176.78 3kdy h ASN 115 N 0.19 0.00 0.42 1.25 -0.73 -1.42 -1.56 115.58 113.73 3kdy h ASN 115 Ca 0.30 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.45 3kdy h ASN 115 Cb 0.45 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.05 3kdy h ASN 115 CO -0.43 0.17 -0.20 0.74 -0.37 0.00 0.00 177.43 177.34 3kdy h THR 116 N 0.00 0.35 0.00 -3.57 2.02 -0.05 -3.16 112.91 108.50 3kdy h THR 116 Ca -0.00 -0.59 -0.00 0.00 0.77 0.00 0.00 66.41 66.58 3kdy h THR 116 Cb 0.45 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.40 3kdy h THR 116 CO 0.02 0.07 -0.01 -0.07 0.37 0.00 0.00 175.52 175.90 3kdy h LEU 117 N -1.01 0.00 -0.42 2.58 3.38 -1.29 -2.49 115.31 116.07 3kdy h LEU 117 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3kdy h LEU 117 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3kdy h LEU 117 CO 0.10 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.64 3kdy n ALA 118 N -2.10 1.86 0.44 1.53 0.00 -0.59 -2.72 120.51 118.93 3kdy n ALA 118 Ca -0.01 0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.54 3kdy n ALA 118 Cb 0.24 -1.40 0.33 0.00 0.00 0.00 0.00 19.45 18.61 3kdy n ALA 118 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3kdy n LYS 119 N -2.15 0.04 -2.72 0.00 4.81 -0.94 -4.53 118.16 112.67 3kdy n LYS 119 Ca 0.03 0.31 -0.07 0.00 -0.87 0.00 0.00 58.31 57.71 3kdy n LYS 119 Cb 0.29 -1.58 0.03 0.00 0.02 0.00 0.00 35.03 33.78 3kdy n LYS 119 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kdy n GLY 120 N -0.14 0.37 0.00 3.14 0.00 -1.10 -4.95 105.19 102.51 3kdy n GLY 120 Ca 0.03 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3kdy n GLY 120 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3kdy n HIS 121 N -2.87 0.00 0.76 1.61 -0.00 -1.26 -4.77 115.22 108.69 3kdy n HIS 121 Ca -0.03 -0.01 0.12 0.00 -0.00 0.00 0.00 57.72 57.80 3kdy n HIS 121 Cb 0.53 -0.00 0.17 0.00 -0.00 0.00 0.00 29.99 30.69 3kdy n HIS 121 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 3kdy n SER 122 N -0.01 3.10 -3.94 0.41 7.64 -1.26 -1.29 113.62 118.27 3kdy n SER 122 Ca 0.00 -1.97 -0.26 0.00 1.01 0.00 0.00 58.87 57.65 3kdy n SER 122 Cb 0.20 -0.10 -0.02 0.00 -1.01 0.00 0.00 64.21 63.28 3kdy n SER 122 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kdy n ALA 123 N 1.35 -2.04 -2.70 -0.43 0.00 -1.26 -4.92 120.51 110.50 3kdy n ALA 123 Ca 0.16 -0.27 -0.25 0.00 0.00 0.00 0.00 53.44 53.08 3kdy n ALA 123 Cb 0.59 -1.60 -0.07 0.00 0.00 0.00 0.00 19.45 18.37 3kdy n ALA 123 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kdy s VAL 124 N -3.93 3.90 0.64 0.00 1.01 -1.26 -4.78 120.40 115.96 3kdy s VAL 124 Ca 0.02 -1.43 -0.15 0.00 0.00 0.00 0.00 61.98 60.42 3kdy s VAL 124 Cb -0.01 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 3kdy s VAL 124 CO 0.89 -0.17 1.09 -0.13 0.00 0.00 0.00 175.10 176.78 3kdy s ARG 125 N -3.17 2.98 0.41 2.72 0.52 -1.26 -4.62 118.95 116.52 3kdy s ARG 125 Ca 0.29 1.34 0.12 0.00 -0.52 0.00 0.00 55.73 56.96 3kdy s ARG 125 Cb -0.09 -1.98 0.86 0.00 0.52 0.00 0.00 34.95 34.26 3kdy s ARG 125 CO 0.20 -1.10 1.93 -1.35 0.02 0.00 0.00 175.30 175.00 3kdy h PRO 126 N 0.19 0.12 -0.99 3.54 0.11 -1.89 -2.59 132.00 130.48 3kdy h PRO 126 Ca -0.47 -0.03 0.22 0.00 0.11 0.00 0.00 66.00 65.83 3kdy h PRO 126 Cb 1.24 -0.02 -0.12 0.00 0.11 0.00 0.00 31.00 32.22 3kdy h PRO 126 CO 0.55 0.30 0.58 0.97 -0.21 0.00 0.00 178.00 180.19 3kdy h ILE 127 N 0.11 0.60 -0.48 4.15 6.09 -1.98 0.32 117.51 126.33 3kdy h ILE 127 Ca 0.02 -0.22 -0.01 0.00 -1.37 0.00 0.00 64.86 63.28 3kdy h ILE 127 Cb 0.39 -0.09 -0.02 0.00 0.47 0.00 0.00 36.82 37.57 3kdy h ILE 127 CO 0.03 0.12 0.24 0.40 -3.07 0.00 0.00 178.15 175.86 3kdy h ILE 128 N 0.64 1.18 -0.44 2.19 5.03 -1.84 0.49 117.51 124.76 3kdy h ILE 128 Ca 0.61 -0.49 -0.05 0.00 -0.12 0.00 0.00 64.86 64.80 3kdy h ILE 128 Cb 1.06 0.63 -0.02 0.00 -3.03 0.00 0.00 36.82 35.47 3kdy h ILE 128 CO -0.44 0.20 0.07 -0.07 -0.68 0.00 0.00 178.15 177.23 3kdy h LEU 129 N 0.63 0.69 -0.47 1.44 3.38 -0.86 -1.83 115.31 118.28 3kdy h LEU 129 Ca 0.17 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3kdy h LEU 129 Cb 0.09 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3kdy h LEU 129 CO -0.02 0.78 0.19 -0.33 0.09 0.00 0.00 178.44 179.14 3kdy h GLU 130 N 0.58 0.71 0.37 1.13 5.08 -0.15 -1.80 114.58 120.49 3kdy h GLU 130 Ca 0.13 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3kdy h GLU 130 Cb 0.38 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3kdy h GLU 130 CO 0.01 0.64 -0.18 -0.09 -1.00 0.00 0.00 179.01 178.39 3kdy h ARG 131 N 0.62 -0.48 -0.62 2.33 9.65 0.11 0.10 114.38 126.10 3kdy h ARG 131 Ca 0.16 0.03 0.09 0.00 -1.10 0.00 0.00 59.98 59.16 3kdy h ARG 131 Cb 0.19 0.11 -0.07 0.00 -1.39 0.00 0.00 29.97 28.81 3kdy h ARG 131 CO -0.01 -0.32 0.25 -0.07 2.80 0.00 0.00 179.97 182.62 3kdy h LEU 132 N -0.50 0.27 -1.06 3.80 3.38 -1.30 -1.01 115.31 118.89 3kdy h LEU 132 Ca -0.05 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3kdy h LEU 132 Cb 0.38 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 3kdy h LEU 132 CO 0.08 0.16 0.29 0.00 0.09 0.00 0.00 178.44 179.06 3kdy h ALA 133 N 1.41 1.26 -0.25 1.53 0.00 -1.02 -2.59 119.26 119.60 3kdy h ALA 133 Ca 0.31 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3kdy h ALA 133 Cb 0.36 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3kdy h ALA 133 CO -0.29 0.56 0.12 0.37 0.00 0.00 0.00 179.25 180.01 3kdy h GLN 134 N 0.95 0.25 -0.49 0.00 4.15 0.52 -1.67 115.11 118.82 3kdy h GLN 134 Ca 0.23 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.67 3kdy h GLN 134 Cb 0.15 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.74 3kdy h GLN 134 CO -0.02 0.17 0.26 1.88 -1.93 0.00 0.00 178.83 179.18 3kdy h TYR 135 N 0.26 0.48 -0.06 3.99 -1.99 -1.14 0.81 116.97 119.31 3kdy h TYR 135 Ca 0.10 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.81 3kdy h TYR 135 Cb 0.03 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 38.60 3kdy h TYR 135 CO -0.09 0.25 -0.14 -0.07 -0.00 0.00 0.00 178.16 178.11 3kdy h LEU 136 N 0.51 0.09 0.09 3.88 3.38 -1.12 0.20 115.31 122.35 3kdy h LEU 136 Ca 0.21 -0.02 -0.36 0.00 0.09 0.00 0.00 57.88 57.81 3kdy h LEU 136 Cb 0.09 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3kdy h LEU 136 CO -0.13 0.24 -2.00 0.59 0.09 0.00 0.00 178.44 177.23 3kdy n ASN 137 N -4.33 2.07 0.00 -0.43 5.03 -0.66 -4.16 115.26 112.78 3kdy n ASN 137 Ca -0.02 0.19 0.13 0.00 0.87 0.00 0.00 54.58 55.75 3kdy n ASN 137 Cb 0.24 -0.81 0.63 0.00 -1.02 0.00 0.00 39.78 38.81 3kdy n ASN 137 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3kdy n GLU 138 N -3.58 0.32 -2.26 3.52 1.02 0.27 -4.90 120.64 115.03 3kdy n GLU 138 Ca -0.35 0.05 -0.01 0.00 -0.02 0.00 0.00 57.16 56.83 3kdy n GLU 138 Cb 0.99 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.92 3kdy n GLU 138 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kdy n GLY 139 N 0.92 0.58 3.35 0.62 0.00 -0.30 -5.01 105.19 105.35 3kdy n GLY 139 Ca 0.11 -0.75 -0.46 0.00 0.00 0.00 0.00 46.02 44.92 3kdy n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kdy s ILE 140 N -2.49 5.34 -0.21 -0.61 1.01 0.57 -5.03 121.20 119.77 3kdy s ILE 140 Ca 0.01 -2.03 -0.20 0.00 0.00 0.00 0.00 60.65 58.43 3kdy s ILE 140 Cb -0.01 -4.50 -0.02 0.00 0.01 0.00 0.00 42.46 37.94 3kdy s ILE 140 CO 0.02 -1.08 0.62 -0.89 0.00 0.00 0.00 174.94 173.60 3kdy s THR 141 N 1.03 5.02 0.47 2.92 2.01 -1.26 -4.60 115.64 121.24 3kdy s THR 141 Ca 0.17 1.14 -0.21 0.00 0.31 0.00 0.00 61.69 63.10 3kdy s THR 141 Cb -0.14 -3.93 -0.08 0.00 0.01 0.00 0.00 72.50 68.36 3kdy s THR 141 CO -0.05 0.10 1.08 -2.84 -0.69 0.00 0.00 174.62 172.21 3kdy s PRO 142 N 2.03 3.79 -0.73 4.92 0.02 -1.26 0.87 135.00 144.64 3kdy s PRO 142 Ca 0.27 1.50 -0.23 0.00 0.02 0.00 0.00 61.00 62.57 3kdy s PRO 142 Cb -0.16 -2.22 0.07 0.00 0.02 0.00 0.00 34.50 32.21 3kdy s PRO 142 CO 0.10 -0.47 1.07 0.00 -0.33 0.00 0.00 177.00 177.37 3kdy s ALA 143 N -1.81 3.05 -0.31 -1.55 0.00 0.12 -4.24 121.76 117.03 3kdy s ALA 143 Ca 0.66 -1.89 -0.11 0.00 0.00 0.00 0.00 51.96 50.62 3kdy s ALA 143 Cb -0.21 -4.00 -0.01 0.00 0.00 0.00 0.00 23.12 18.90 3kdy s ALA 143 CO 0.25 -2.95 0.18 0.42 0.00 0.00 0.00 175.76 173.66 3kdy s ILE 144 N 4.26 4.84 0.25 0.00 1.01 -1.26 -4.73 121.20 125.56 3kdy s ILE 144 Ca 0.27 -0.31 -0.30 0.00 0.00 0.00 0.00 60.65 60.31 3kdy s ILE 144 Cb -0.13 -3.45 -0.10 0.00 0.01 0.00 0.00 42.46 38.79 3kdy s ILE 144 CO 0.07 0.07 1.39 -2.84 0.00 0.00 0.00 174.94 173.64 3kdy s PRO 145 N 1.66 4.30 0.27 2.79 0.02 -1.26 -0.42 135.00 142.36 3kdy s PRO 145 Ca 0.05 2.24 -0.01 0.00 0.02 0.00 0.00 61.00 63.30 3kdy s PRO 145 Cb -0.17 -3.12 0.38 0.00 0.02 0.00 0.00 34.50 31.61 3kdy s PRO 145 CO 0.08 -0.35 1.81 0.93 -0.33 0.00 0.00 177.00 179.13 3kdy h GLU 146 N 4.85 0.82 -5.90 5.54 5.08 -0.72 -3.42 114.58 120.82 3kdy h GLU 146 Ca -0.46 -0.18 -0.68 0.00 -1.00 0.00 0.00 59.36 57.04 3kdy h GLU 146 Cb 1.22 -0.12 -0.14 0.00 0.50 0.00 0.00 28.75 30.21 3kdy h GLU 146 CO 0.76 0.76 -0.61 0.42 -1.00 0.00 0.00 179.01 179.34 3kdy s ILE 147 N -5.14 4.43 0.00 3.13 1.01 -0.71 -4.75 121.20 119.17 3kdy s ILE 147 Ca -0.10 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.35 3kdy s ILE 147 Cb 0.15 -2.88 0.00 0.00 0.01 0.00 0.00 42.46 39.75 3kdy s ILE 147 CO 0.80 0.60 0.00 0.61 0.00 0.00 0.00 174.94 176.95 3kdy n GLY 148 N 2.21 2.46 3.77 6.18 0.00 -1.26 -0.78 105.19 117.77 3kdy n GLY 148 Ca -0.19 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 3kdy n GLY 148 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kdy s SER 149 N 0.00 6.71 0.00 1.61 1.04 -1.26 -4.64 113.70 117.15 3kdy s SER 149 Ca 0.00 2.74 0.24 0.00 0.48 0.00 0.00 55.95 59.42 3kdy s SER 149 Cb 0.00 -2.65 0.29 0.00 0.10 0.00 0.00 66.02 63.76 3kdy s SER 149 CO 0.00 -0.59 1.32 0.18 0.98 0.00 0.00 173.24 175.13 3kdy n LEU 150 N 0.76 2.93 -1.35 2.42 4.77 -1.26 -4.81 117.00 120.46 3kdy n LEU 150 Ca 0.00 -1.02 0.00 0.00 -0.03 0.00 0.00 56.01 54.96 3kdy n LEU 150 Cb 0.41 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 3kdy n LEU 150 CO 0.60 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.78 3kdy n GLY 151 N 1.35 -0.40 2.44 -0.72 0.00 -1.26 -0.39 105.19 106.21 3kdy n GLY 151 Ca 0.15 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 3kdy n GLY 151 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kdy n ASP 155 N -0.64 0.64 0.28 1.61 8.00 -1.08 -2.41 116.55 122.94 3kdy n ASP 155 Ca 0.00 -2.92 -0.15 0.00 0.71 0.00 0.00 54.79 52.43 3kdy n ASP 155 Cb 0.19 -0.28 -0.08 0.00 -0.02 0.00 0.00 41.12 40.93 3kdy n ASP 155 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3kdy h LEU 156 N 2.94 -0.59 0.30 0.64 3.38 -1.84 -2.47 115.31 117.67 3kdy h LEU 156 Ca -0.01 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3kdy h LEU 156 Cb 1.08 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 3kdy h LEU 156 CO 0.44 -0.29 -0.39 0.00 0.09 0.00 0.00 178.44 178.29 3kdy h ALA 157 N -0.54 -1.01 -0.60 1.53 0.00 -1.83 0.24 119.26 117.05 3kdy h ALA 157 Ca -0.07 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 54.80 3kdy h ALA 157 Cb 0.61 0.66 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 3kdy h ALA 157 CO 0.12 -1.06 0.22 -1.00 0.00 0.00 0.00 179.25 177.54 3kdy h PRO 158 N -0.71 0.39 0.00 0.00 0.13 -1.82 -0.55 132.00 129.45 3kdy h PRO 158 Ca -0.04 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 65.00 3kdy h PRO 158 Cb 0.64 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 3kdy h PRO 158 CO -0.09 0.26 -0.32 -0.07 -0.23 0.00 0.00 178.00 177.55 3kdy h LEU 159 N 0.41 0.00 -0.69 1.56 3.38 -1.31 -2.67 115.31 115.98 3kdy h LEU 159 Ca 0.30 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.13 3kdy h LEU 159 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3kdy h LEU 159 CO -0.30 0.32 -0.49 0.28 0.09 0.00 0.00 178.44 178.34 3kdy h SER 160 N 0.00 0.44 -0.00 -0.43 0.02 0.10 -0.22 113.55 113.46 3kdy h SER 160 Ca -0.00 -0.22 -0.13 0.00 -0.84 0.00 0.00 61.79 60.60 3kdy h SER 160 Cb 0.69 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 3kdy h SER 160 CO 0.04 0.86 -0.40 0.45 -1.14 0.00 0.00 176.83 176.64 3kdy h HIS 161 N 0.32 0.61 0.48 3.45 3.86 -0.99 -1.58 115.15 121.31 3kdy h HIS 161 Ca 0.02 -0.17 -0.02 0.00 -1.16 0.00 0.00 60.37 59.03 3kdy h HIS 161 Cb 0.98 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 29.32 3kdy h HIS 161 CO 0.03 0.84 -0.23 0.28 0.86 0.00 0.00 177.93 179.70 3kdy h VAL 162 N 0.42 0.31 -1.02 2.45 2.07 -1.23 -3.03 116.25 116.22 3kdy h VAL 162 Ca 0.04 -0.50 0.27 0.00 0.82 0.00 0.00 66.70 67.33 3kdy h VAL 162 Cb 0.89 0.46 -0.07 0.00 -1.52 0.00 0.00 31.29 31.04 3kdy h VAL 162 CO 0.08 0.05 0.69 0.00 0.02 0.00 0.00 177.57 178.41 3kdy h ALA 163 N -0.79 2.46 -0.78 1.67 0.00 -1.03 0.24 119.26 121.03 3kdy h ALA 163 Ca -0.07 0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.93 3kdy h ALA 163 Cb 0.59 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 3kdy h ALA 163 CO 0.11 -0.81 0.51 0.77 0.00 0.00 0.00 179.25 179.83 3kdy h SER 164 N 0.28 0.74 1.02 0.00 0.02 -1.16 0.04 113.55 114.49 3kdy h SER 164 Ca 0.55 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.50 3kdy h SER 164 Cb 1.60 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.99 3kdy h SER 164 CO -0.19 0.48 0.00 0.71 -1.14 0.00 0.00 176.83 176.69 3kdy h THR 165 N 0.84 0.00 0.00 -2.27 1.35 -0.40 0.39 112.91 112.83 3kdy h THR 165 Ca 0.34 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 3kdy h THR 165 Cb 0.24 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 3kdy h THR 165 CO -0.12 0.00 0.00 -0.07 -0.25 0.00 0.00 175.52 175.08 3kdy h LEU 166 N 0.00 0.00 -2.94 3.87 3.38 -0.96 -3.11 115.31 115.54 3kdy h LEU 166 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kdy h LEU 166 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3kdy h LEU 166 CO 0.00 0.00 0.00 2.30 0.09 0.00 0.00 178.44 180.83 3kdy n ILE 167 N -2.56 1.12 -1.39 1.22 -5.35 -1.02 -2.19 119.36 109.19 3kdy n ILE 167 Ca 0.04 -1.10 0.00 0.00 -0.27 0.00 0.00 62.75 61.43 3kdy n ILE 167 Cb 0.43 0.43 0.00 0.00 -1.74 0.00 0.00 39.64 38.76 3kdy n ILE 167 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kdy n GLY 168 N 0.12 0.38 3.02 3.28 0.00 -1.14 -4.63 105.19 106.21 3kdy n GLY 168 Ca 0.09 -1.01 -0.26 0.00 0.00 0.00 0.00 46.02 44.84 3kdy n GLY 168 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kdy n GLU 169 N -2.20 0.96 0.00 1.61 1.02 0.14 -3.09 120.64 119.07 3kdy n GLU 169 Ca 0.00 -3.02 0.00 0.00 -0.02 0.00 0.00 57.16 54.12 3kdy n GLU 169 Cb 0.20 0.75 0.00 0.00 -0.02 0.00 0.00 31.44 32.36 3kdy n GLU 169 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kdy n GLY 170 N -0.06 1.80 3.12 0.62 0.00 -1.26 -2.95 105.19 106.46 3kdy n GLY 170 Ca -0.15 -0.55 -0.11 0.00 0.00 0.00 0.00 46.02 45.21 3kdy n GLY 170 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kdy s TYR 171 N 0.00 0.07 -0.05 1.61 1.51 -1.26 -3.34 117.35 115.89 3kdy s TYR 171 Ca 0.00 -0.22 0.04 0.00 -1.01 0.00 0.00 57.07 55.88 3kdy s TYR 171 Cb 0.00 -0.06 -0.02 0.00 -0.11 0.00 0.00 41.96 41.76 3kdy s TYR 171 CO 0.00 -0.33 -0.15 0.14 -1.11 0.00 0.00 175.55 174.10 3kdy s VAL 172 N -1.83 2.99 -0.18 0.71 -7.23 0.59 -0.70 120.40 114.75 3kdy s VAL 172 Ca -0.11 -0.75 -0.26 0.00 -1.81 0.00 0.00 61.98 59.04 3kdy s VAL 172 Cb -0.05 -2.16 -0.01 0.00 0.56 0.00 0.00 36.38 34.72 3kdy s VAL 172 CO -0.00 0.59 0.89 -0.22 -0.31 0.00 0.00 175.10 176.05 3kdy s LEU 173 N -0.68 4.16 -0.22 1.32 2.96 0.25 -0.47 118.68 126.00 3kdy s LEU 173 Ca 0.10 1.25 -0.04 0.00 -0.22 0.00 0.00 54.13 55.23 3kdy s LEU 173 Cb -0.11 -3.33 0.10 0.00 0.50 0.00 0.00 46.19 43.35 3kdy s LEU 173 CO 0.01 -0.46 0.21 -0.60 -1.32 0.00 0.00 176.35 174.18 3kdy s ARG 174 N 2.38 0.19 -0.63 1.98 3.52 -0.03 -4.46 118.95 121.91 3kdy s ARG 174 Ca 0.40 0.04 -0.01 0.00 -0.13 0.00 0.00 55.73 56.03 3kdy s ARG 174 Cb -0.16 -1.20 0.00 0.00 -1.56 0.00 0.00 34.95 32.02 3kdy s ARG 174 CO 0.12 -0.75 0.09 -0.25 -0.81 0.00 0.00 175.30 173.69 3kdy n ASP 175 N 5.31 -2.99 0.00 -2.12 8.00 -1.26 -3.08 116.55 120.41 3kdy n ASP 175 Ca -0.05 -0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.40 3kdy n ASP 175 Cb 0.48 -2.15 0.00 0.00 -0.02 0.00 0.00 41.12 39.43 3kdy n ASP 175 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kdy n GLY 176 N -1.02 2.72 3.77 0.44 0.00 -1.26 -5.01 105.19 104.83 3kdy n GLY 176 Ca -0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 3kdy n GLY 176 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kdy s ARG 177 N -0.21 2.79 -0.00 1.61 0.52 -1.18 -4.98 118.95 117.51 3kdy s ARG 177 Ca 0.00 -0.90 -0.21 0.00 -0.52 0.00 0.00 55.73 54.11 3kdy s ARG 177 Cb 0.00 -2.59 -0.05 0.00 0.52 0.00 0.00 34.95 32.82 3kdy s ARG 177 CO 0.00 0.49 0.60 -1.25 0.02 0.00 0.00 175.30 175.16 3kdy s PRO 178 N -2.98 4.32 -0.03 3.54 0.04 -1.26 -0.85 135.00 137.78 3kdy s PRO 178 Ca 0.30 0.75 0.04 0.00 0.04 0.00 0.00 61.00 62.12 3kdy s PRO 178 Cb -0.10 -3.34 -0.00 0.00 0.04 0.00 0.00 34.50 31.10 3kdy s PRO 178 CO 0.22 0.37 -0.13 0.08 0.04 0.00 0.00 177.00 177.58 3kdy s VAL 179 N -0.20 1.12 0.02 -0.36 1.01 0.38 -4.90 120.40 117.47 3kdy s VAL 179 Ca 0.31 -0.55 -0.39 0.00 0.00 0.00 0.00 61.98 61.35 3kdy s VAL 179 Cb -0.18 -0.97 -0.20 0.00 0.00 0.00 0.00 36.38 35.04 3kdy s VAL 179 CO 0.17 0.33 1.03 -0.62 0.00 0.00 0.00 175.10 176.02 3kdy n GLU 180 N 3.14 0.04 -0.06 2.72 1.02 -1.26 -0.30 120.64 125.95 3kdy n GLU 180 Ca -0.18 0.01 -0.03 0.00 -0.02 0.00 0.00 57.16 56.95 3kdy n GLU 180 Cb 0.54 -1.48 0.21 0.00 -0.02 0.00 0.00 31.44 30.69 3kdy n GLU 180 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3kdy h THR 181 N 2.84 1.23 0.55 2.62 2.02 -1.76 -2.93 112.91 117.48 3kdy h THR 181 Ca -0.49 -0.98 -0.03 0.00 0.77 0.00 0.00 66.41 65.68 3kdy h THR 181 Cb 1.43 0.98 0.01 0.00 -1.74 0.00 0.00 68.15 68.82 3kdy h THR 181 CO 0.65 0.34 -0.27 0.00 0.37 0.00 0.00 175.52 176.61 3kdy h ALA 182 N 1.34 -0.75 -0.80 6.16 0.00 -1.85 -0.93 119.26 122.43 3kdy h ALA 182 Ca 0.12 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 55.00 3kdy h ALA 182 Cb 0.45 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 3kdy h ALA 182 CO 0.02 -0.87 0.53 0.37 0.00 0.00 0.00 179.25 179.31 3kdy h GLN 183 N -0.85 0.45 -0.01 0.00 4.15 -1.90 -0.49 115.11 116.46 3kdy h GLN 183 Ca -0.08 -0.03 -0.21 0.00 0.77 0.00 0.00 58.65 59.11 3kdy h GLN 183 Cb 0.61 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.20 3kdy h GLN 183 CO 0.13 0.30 -0.89 0.28 -1.93 0.00 0.00 178.83 176.72 3kdy h VAL 184 N 0.46 1.42 -0.35 2.39 2.07 -1.33 -2.84 116.25 118.08 3kdy h VAL 184 Ca 0.40 -2.43 -0.04 0.00 0.82 0.00 0.00 66.70 65.46 3kdy h VAL 184 Cb 0.87 2.37 -0.01 0.00 -1.52 0.00 0.00 31.29 33.00 3kdy h VAL 184 CO -0.14 0.72 0.08 -0.07 0.02 0.00 0.00 177.57 178.18 3kdy h LEU 185 N 0.21 0.53 -1.48 2.57 3.38 0.30 -1.84 115.31 118.98 3kdy h LEU 185 Ca -0.06 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.69 3kdy h LEU 185 Cb 1.51 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 42.09 3kdy h LEU 185 CO 0.15 0.63 0.37 0.00 0.09 0.00 0.00 178.44 179.68 3kdy h ALA 186 N 0.92 1.66 0.00 1.53 0.00 -1.29 0.63 119.26 122.71 3kdy h ALA 186 Ca 0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3kdy h ALA 186 Cb 0.31 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3kdy h ALA 186 CO 0.00 0.30 -0.17 0.93 0.00 0.00 0.00 179.25 180.31 3kdy h GLU 187 N 0.70 0.00 0.00 0.00 5.08 -1.19 -2.79 114.58 116.39 3kdy h GLU 187 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3kdy h GLU 187 Cb -0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3kdy h GLU 187 CO -0.05 0.17 -1.30 0.54 -1.00 0.00 0.00 179.01 177.37 3kdy n ARG 188 N -3.32 0.22 -0.57 2.33 5.12 -0.09 -4.97 116.66 115.38 3kdy n ARG 188 Ca 0.00 -0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.86 3kdy n ARG 188 Cb 0.41 -1.51 0.00 0.00 -1.16 0.00 0.00 32.46 30.19 3kdy n ARG 188 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kdy n GLY 189 N 1.42 1.15 3.77 -0.13 0.00 0.20 -5.03 105.19 106.57 3kdy n GLY 189 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3kdy n GLY 189 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kdy s ILE 190 N -3.29 3.24 -0.28 -0.61 1.01 -0.76 -4.95 121.20 115.57 3kdy s ILE 190 Ca 0.00 1.18 -0.11 0.00 0.00 0.00 0.00 60.65 61.72 3kdy s ILE 190 Cb 0.00 -3.72 -0.05 0.00 0.01 0.00 0.00 42.46 38.70 3kdy s ILE 190 CO 0.00 0.23 0.18 -0.70 0.00 0.00 0.00 174.94 174.65 3kdy s GLU 191 N -1.81 3.91 0.32 2.79 2.12 -1.26 -4.41 118.70 120.36 3kdy s GLU 191 Ca 0.49 -0.34 -0.27 0.00 0.36 0.00 0.00 54.97 55.21 3kdy s GLU 191 Cb -0.33 -3.63 -0.13 0.00 0.26 0.00 0.00 34.13 30.30 3kdy s GLU 191 CO 0.42 -0.19 1.02 -0.35 -0.54 0.00 0.00 175.26 175.63 3kdy n PRO 192 N 5.05 1.40 -1.91 4.30 -0.04 -1.26 -4.98 135.00 137.56 3kdy n PRO 192 Ca -0.14 0.49 -0.29 0.00 -0.04 0.00 0.00 63.50 63.52 3kdy n PRO 192 Cb 0.52 -1.90 0.08 0.00 -0.04 0.00 0.00 33.50 32.16 3kdy n PRO 192 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3kdy s LEU 193 N 0.23 2.58 -0.20 1.53 1.43 -0.93 -4.95 118.68 118.37 3kdy s LEU 193 Ca 0.59 0.83 0.01 0.00 -1.03 0.00 0.00 54.13 54.53 3kdy s LEU 193 Cb -0.67 -3.38 0.05 0.00 0.03 0.00 0.00 46.19 42.22 3kdy s LEU 193 CO 0.60 -1.80 -0.08 -0.70 0.23 0.00 0.00 176.35 174.60 3kdy s GLU 194 N -5.53 1.85 0.33 1.70 2.12 -1.26 -4.41 118.70 113.50 3kdy s GLU 194 Ca 0.61 -0.83 -0.28 0.00 0.36 0.00 0.00 54.97 54.83 3kdy s GLU 194 Cb -0.11 -2.40 -0.13 0.00 0.26 0.00 0.00 34.13 31.75 3kdy s GLU 194 CO 0.49 -0.47 1.18 1.28 -0.54 0.00 0.00 175.26 177.21 3kdy n LEU 195 N 4.71 2.94 0.00 2.70 4.77 -1.26 -5.01 117.00 125.85 3kdy n LEU 195 Ca -0.14 1.19 0.00 0.00 -0.03 0.00 0.00 56.01 57.03 3kdy n LEU 195 Cb 0.46 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.14 3kdy n LEU 195 CO 0.19 -0.85 0.00 0.54 -1.33 0.00 0.00 177.39 175.94 3kdy n ARG 196 N 0.56 3.18 -1.56 3.23 5.12 -1.26 -4.59 116.66 121.35 3kdy n ARG 196 Ca 0.07 0.00 -0.50 0.00 -1.93 0.00 0.00 57.85 55.48 3kdy n ARG 196 Cb 0.35 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.59 3kdy n ARG 196 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 3kdy n PHE 197 N -0.07 1.88 -0.87 -1.55 3.72 -1.26 -0.96 117.46 118.36 3kdy n PHE 197 Ca 0.00 0.20 0.00 0.00 -0.05 0.00 0.00 57.45 57.60 3kdy n PHE 197 Cb 0.00 -2.58 0.00 0.00 -0.94 0.00 0.00 39.48 35.96 3kdy n PHE 197 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3kdy n LYS 198 N 7.50 -0.84 -0.13 -1.08 4.81 -1.26 -4.84 118.16 122.32 3kdy n LYS 198 Ca 0.33 0.21 -0.12 0.00 -0.87 0.00 0.00 58.31 57.86 3kdy n LYS 198 Cb 0.25 -4.17 -0.02 0.00 0.02 0.00 0.00 35.03 31.12 3kdy n LYS 198 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 3kdy h GLU 199 N 0.57 0.92 -0.15 1.64 4.81 -1.40 -2.22 114.58 118.75 3kdy h GLU 199 Ca 0.00 -0.44 -0.14 0.00 -0.13 0.00 0.00 59.36 58.66 3kdy h GLU 199 Cb 0.42 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3kdy h GLU 199 CO 0.00 1.09 -0.49 0.78 -0.73 0.00 0.00 179.01 179.66 3kdy h GLY 200 N 0.75 0.45 1.48 1.92 0.00 -1.82 -3.11 103.07 102.75 3kdy h GLY 200 Ca 0.08 -0.49 -0.20 0.00 0.00 0.00 0.00 47.33 46.72 3kdy h GLY 200 CO 0.08 0.44 -0.80 -2.00 0.00 0.00 0.00 176.54 174.25 3kdy h LEU 201 N 0.33 0.60 -1.30 3.11 5.85 -1.84 -3.17 115.31 118.89 3kdy h LEU 201 Ca 0.02 -0.42 -0.02 0.00 0.84 0.00 0.00 57.88 58.30 3kdy h LEU 201 Cb 0.99 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 3kdy h LEU 201 CO 0.09 1.19 -0.09 0.00 -0.34 0.00 0.00 178.44 179.28 3kdy h ALA 202 N 0.79 1.02 0.10 1.25 0.00 -1.41 -1.10 119.26 119.92 3kdy h ALA 202 Ca -0.05 -0.08 -0.27 0.00 0.00 0.00 0.00 54.91 54.51 3kdy h ALA 202 Cb 1.41 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 3kdy h ALA 202 CO 0.14 0.11 -1.29 -0.07 0.00 0.00 0.00 179.25 178.15 3kdy h LEU 203 N 0.00 0.34 0.00 0.00 3.38 -1.51 -3.38 115.31 114.14 3kdy h LEU 203 Ca -0.00 -0.39 -0.31 0.00 0.09 0.00 0.00 57.88 57.27 3kdy h LEU 203 Cb 0.61 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 3kdy h LEU 203 CO 0.01 1.31 -2.30 2.30 0.09 0.00 0.00 178.44 179.86 3kdy n ILE 204 N -3.47 1.19 -2.55 1.22 -5.35 -1.19 -4.80 119.36 104.41 3kdy n ILE 204 Ca -0.09 -0.80 -0.42 0.00 -0.27 0.00 0.00 62.75 61.17 3kdy n ILE 204 Cb 1.02 -0.42 -0.01 0.00 -1.74 0.00 0.00 39.64 38.49 3kdy n ILE 204 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3kdy s ASN 205 N -5.37 6.66 0.13 7.28 2.47 -0.42 -4.14 114.94 121.55 3kdy s ASN 205 Ca -0.09 -2.16 -0.24 0.00 0.42 0.00 0.00 52.86 50.78 3kdy s ASN 205 Cb 0.07 -2.58 0.08 0.00 -1.45 0.00 0.00 41.25 37.38 3kdy s ASN 205 CO 0.84 -1.35 1.10 -0.83 -3.72 0.00 0.00 177.10 173.13 3kdy s GLY 206 N 4.55 0.01 -0.29 1.21 0.00 -1.26 -3.96 107.32 107.58 3kdy s GLY 206 Ca 0.53 -0.16 0.11 0.00 0.00 0.00 0.00 44.72 45.20 3kdy s GLY 206 CO 0.04 2.72 1.68 -1.30 0.00 0.00 0.00 173.10 176.24 3kdy n THR 207 N -0.71 2.76 0.20 0.90 -2.24 -1.26 -2.64 114.28 111.28 3kdy n THR 207 Ca -0.02 -1.85 0.04 0.00 -2.27 0.00 0.00 64.05 59.95 3kdy n THR 207 Cb 0.60 -0.33 0.46 0.00 -2.10 0.00 0.00 70.33 68.95 3kdy n THR 207 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3kdy h SER 208 N 2.27 0.04 0.58 3.42 0.02 -1.91 -0.34 113.55 117.64 3kdy h SER 208 Ca 0.20 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 3kdy h SER 208 Cb 2.06 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 64.60 3kdy h SER 208 CO 0.58 0.25 -0.28 1.23 -1.14 0.00 0.00 176.83 177.48 3kdy h GLY 209 N 0.68 -0.81 2.00 -3.77 0.00 -1.85 -0.28 103.07 99.04 3kdy h GLY 209 Ca 0.01 0.30 -0.12 0.00 0.00 0.00 0.00 47.33 47.51 3kdy h GLY 209 CO 0.03 -0.29 -0.57 0.00 0.00 0.00 0.00 176.54 175.70 3kdy h MET 210 N -0.84 0.00 -0.10 4.80 -0.00 -1.87 -2.61 114.93 114.31 3kdy h MET 210 Ca -0.08 0.00 -0.22 0.00 -0.00 0.00 0.00 59.70 59.40 3kdy h MET 210 Cb 0.62 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.23 3kdy h MET 210 CO 0.13 0.57 -0.78 1.15 -0.00 0.00 0.00 176.91 177.98 3kdy h THR 211 N 0.00 1.30 -0.04 -0.10 2.02 -1.00 0.24 112.91 115.33 3kdy h THR 211 Ca -0.01 -2.01 -0.02 0.00 0.77 0.00 0.00 66.41 65.14 3kdy h THR 211 Cb 1.14 2.14 -0.00 0.00 -1.74 0.00 0.00 68.15 69.69 3kdy h THR 211 CO 0.07 0.63 -0.06 1.23 0.37 0.00 0.00 175.52 177.76 3kdy h GLY 212 N 0.40 0.12 0.93 2.16 0.00 -1.10 -0.60 103.07 104.99 3kdy h GLY 212 Ca -0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 3kdy h GLY 212 CO 0.16 0.12 0.14 -2.00 0.00 0.00 0.00 176.54 174.96 3kdy h LEU 213 N -0.38 0.46 -1.67 3.11 5.85 -1.55 -2.60 115.31 118.54 3kdy h LEU 213 Ca 0.00 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 3kdy h LEU 213 Cb 0.60 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3kdy h LEU 213 CO 0.01 0.50 -0.13 1.23 -0.34 0.00 0.00 178.44 179.71 3kdy h GLY 214 N 0.40 0.05 0.81 3.75 0.00 -0.55 -2.41 103.07 105.11 3kdy h GLY 214 Ca 0.11 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 3kdy h GLY 214 CO -0.01 0.02 0.01 1.76 0.00 0.00 0.00 176.54 178.33 3kdy h SER 215 N 0.05 0.06 -0.40 0.19 0.02 -0.72 -1.58 113.55 111.16 3kdy h SER 215 Ca 0.01 -0.20 0.02 0.00 -0.84 0.00 0.00 61.79 60.78 3kdy h SER 215 Cb 0.26 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 3kdy h SER 215 CO 0.02 0.24 0.22 -0.07 -1.14 0.00 0.00 176.83 176.10 3kdy h LEU 216 N -0.13 0.34 0.76 5.07 3.38 -1.23 -1.39 115.31 122.12 3kdy h LEU 216 Ca 0.01 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3kdy h LEU 216 Cb 0.21 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3kdy h LEU 216 CO -0.00 0.25 -0.46 0.58 0.09 0.00 0.00 178.44 178.89 3kdy h VAL 217 N 0.45 0.07 -1.00 1.22 2.07 -1.32 0.35 116.25 118.08 3kdy h VAL 217 Ca 0.17 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.77 3kdy h VAL 217 Cb 0.04 0.07 -0.07 0.00 -1.52 0.00 0.00 31.29 29.81 3kdy h VAL 217 CO -0.10 0.00 0.64 0.58 0.02 0.00 0.00 177.57 178.72 3kdy h VAL 218 N -1.15 1.03 0.05 2.57 2.07 -1.27 1.59 116.25 121.15 3kdy h VAL 218 Ca -0.10 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.04 3kdy h VAL 218 Cb 0.92 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3kdy h VAL 218 CO 0.11 0.20 -0.05 1.23 0.02 0.00 0.00 177.57 179.08 3kdy h GLY 219 N 1.12 -0.10 2.00 2.17 0.00 -1.04 -1.41 103.07 105.81 3kdy h GLY 219 Ca 0.45 0.06 -0.10 0.00 0.00 0.00 0.00 47.33 47.74 3kdy h GLY 219 CO -0.20 -0.06 -0.49 3.21 0.00 0.00 0.00 176.54 179.00 3kdy h ARG 220 N -0.12 0.00 -0.77 4.80 3.08 0.01 -2.98 114.38 118.40 3kdy h ARG 220 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kdy h ARG 220 Cb 0.12 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 3kdy h ARG 220 CO -0.02 0.49 0.49 0.00 -1.07 0.00 0.00 179.97 179.86 3kdy h ALA 221 N 1.51 0.98 -0.24 0.04 0.00 0.28 0.26 119.26 122.09 3kdy h ALA 221 Ca -0.00 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 3kdy h ALA 221 Cb 0.94 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3kdy h ALA 221 CO 0.06 0.43 -0.30 -0.07 0.00 0.00 0.00 179.25 179.37 3kdy h LEU 222 N 1.05 0.49 -0.73 0.00 3.38 -1.14 -0.33 115.31 118.02 3kdy h LEU 222 Ca 0.28 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 3kdy h LEU 222 Cb -0.08 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3kdy h LEU 222 CO -0.06 0.76 -0.29 -0.33 0.09 0.00 0.00 178.44 178.62 3kdy h GLU 223 N 0.41 0.64 -0.54 1.13 5.08 -1.22 -1.71 114.58 118.38 3kdy h GLU 223 Ca 0.05 -0.28 -0.11 0.00 -1.00 0.00 0.00 59.36 58.03 3kdy h GLU 223 Cb 0.73 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 3kdy h GLU 223 CO 0.06 0.86 -0.08 0.37 -1.00 0.00 0.00 179.01 179.22 3kdy h GLN 224 N 0.55 1.00 -0.56 2.33 4.15 -0.02 -0.77 115.11 121.79 3kdy h GLN 224 Ca 0.07 -0.35 -0.02 0.00 0.77 0.00 0.00 58.65 59.13 3kdy h GLN 224 Cb 0.78 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.37 3kdy h GLN 224 CO 0.06 1.03 0.29 0.00 -1.93 0.00 0.00 178.83 178.28 3kdy h ALA 225 N 1.00 0.72 -0.16 3.38 0.00 -0.77 0.71 119.26 124.14 3kdy h ALA 225 Ca 0.15 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3kdy h ALA 225 Cb 0.63 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3kdy h ALA 225 CO 0.04 0.26 0.07 1.96 0.00 0.00 0.00 179.25 181.58 3kdy h GLN 226 N 0.75 0.23 0.00 0.00 4.20 -1.09 -2.00 115.11 117.20 3kdy h GLN 226 Ca 0.19 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 3kdy h GLN 226 Cb 0.08 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 3kdy h GLN 226 CO -0.03 0.31 -0.10 1.96 -0.67 0.00 0.00 178.83 180.30 3kdy h GLN 227 N 0.11 0.00 -0.09 1.46 4.20 -0.90 0.42 115.11 120.31 3kdy h GLN 227 Ca 0.05 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.67 3kdy h GLN 227 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 3kdy h GLN 227 CO -0.01 0.10 -0.31 0.00 -0.67 0.00 0.00 178.83 177.95 3kdy h ALA 228 N 1.90 0.16 -0.31 3.87 0.00 -0.45 -2.51 119.26 121.92 3kdy h ALA 228 Ca -0.00 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 3kdy h ALA 228 Cb 0.34 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3kdy h ALA 228 CO 0.01 0.20 -0.12 0.93 0.00 0.00 0.00 179.25 180.27 3kdy h GLU 229 N -0.10 0.53 0.35 0.00 5.08 -0.80 -1.14 114.58 118.50 3kdy h GLU 229 Ca -0.01 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 3kdy h GLU 229 Cb 0.94 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.13 3kdy h GLU 229 CO 0.06 0.65 -0.18 0.82 -1.00 0.00 0.00 179.01 179.36 3kdy h ILE 230 N 0.49 0.63 -0.22 3.13 2.04 -0.86 -1.22 117.51 121.49 3kdy h ILE 230 Ca 0.09 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.84 3kdy h ILE 230 Cb 0.50 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 3kdy h ILE 230 CO 0.03 0.00 -0.32 1.62 0.00 0.00 0.00 178.15 179.48 3kdy h VAL 231 N -0.49 1.28 -0.52 1.67 3.04 -1.37 -2.83 116.25 117.03 3kdy h VAL 231 Ca -0.04 -1.39 -0.03 0.00 -1.01 0.00 0.00 66.70 64.23 3kdy h VAL 231 Cb 0.38 1.46 -0.03 0.00 -2.01 0.00 0.00 31.29 31.10 3kdy h VAL 231 CO 0.07 0.43 0.19 0.74 -1.01 0.00 0.00 177.57 177.99 3kdy h THR 232 N 0.39 1.20 -0.34 3.17 2.02 -1.01 -1.03 112.91 117.31 3kdy h THR 232 Ca 0.05 -0.64 -0.08 0.00 0.77 0.00 0.00 66.41 66.51 3kdy h THR 232 Cb 0.75 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 3kdy h THR 232 CO 0.06 0.25 -0.11 0.00 0.37 0.00 0.00 175.52 176.09 3kdy h ALA 233 N 1.47 0.47 -0.07 6.16 0.00 -1.01 -1.10 119.26 125.18 3kdy h ALA 233 Ca 0.18 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3kdy h ALA 233 Cb 0.18 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3kdy h ALA 233 CO -0.01 0.34 0.02 1.25 0.00 0.00 0.00 179.25 180.85 3kdy h LEU 234 N 0.45 0.03 -0.91 0.00 5.85 -1.22 -1.38 115.31 118.13 3kdy h LEU 234 Ca 0.08 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.85 3kdy h LEU 234 Cb 0.62 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 3kdy h LEU 234 CO 0.04 0.03 0.59 0.25 -0.34 0.00 0.00 178.44 179.00 3kdy h LEU 235 N 0.06 0.97 -0.62 2.25 5.85 -1.14 0.92 115.31 123.60 3kdy h LEU 235 Ca 0.03 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.75 3kdy h LEU 235 Cb 0.02 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 3kdy h LEU 235 CO -0.03 0.66 0.41 0.40 -0.34 0.00 0.00 178.44 179.54 3kdy h ILE 236 N 1.13 1.15 -0.11 4.05 2.04 -0.76 -1.00 117.51 124.01 3kdy h ILE 236 Ca 0.36 -0.29 -0.12 0.00 1.00 0.00 0.00 64.86 65.81 3kdy h ILE 236 Cb 0.02 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 3kdy h ILE 236 CO -0.12 0.15 -0.48 -0.33 0.00 0.00 0.00 178.15 177.37 3kdy h GLU 237 N 0.84 0.29 -0.47 2.37 5.08 -0.58 0.18 114.58 122.28 3kdy h GLU 237 Ca 0.23 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 3kdy h GLU 237 Cb -0.09 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3kdy h GLU 237 CO -0.05 0.71 0.09 0.00 -1.00 0.00 0.00 179.01 178.76 3kdy h ALA 238 N 1.27 0.63 -0.01 3.43 0.00 -0.14 -2.60 119.26 121.83 3kdy h ALA 238 Ca 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3kdy h ALA 238 Cb 0.93 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3kdy h ALA 238 CO 0.08 0.34 -0.13 1.33 0.00 0.00 0.00 179.25 180.87 3kdy n VAL 239 N -4.46 0.00 -3.19 0.00 0.24 -0.44 -4.94 118.33 105.54 3kdy n VAL 239 Ca 0.01 -0.13 -0.15 0.00 -2.04 0.00 0.00 64.34 62.02 3kdy n VAL 239 Cb 0.24 0.21 0.06 0.00 -1.47 0.00 0.00 33.84 32.88 3kdy n VAL 239 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3kdy n ARG 240 N -0.55 -5.26 -0.98 7.34 1.74 -0.39 -4.98 116.66 113.57 3kdy n ARG 240 Ca 0.15 0.57 -0.30 0.00 -0.77 0.00 0.00 57.85 57.51 3kdy n ARG 240 Cb 0.31 -4.81 0.23 0.00 -1.02 0.00 0.00 32.46 27.18 3kdy n ARG 240 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3kdy s GLY 241 N -3.37 1.56 0.52 -0.13 0.00 0.48 -4.38 107.32 102.00 3kdy s GLY 241 Ca 0.32 -0.77 -0.06 0.00 0.00 0.00 0.00 44.72 44.20 3kdy s GLY 241 CO 0.50 0.06 0.83 -0.45 0.00 0.00 0.00 173.10 174.05 3kdy s SER 242 N -3.64 6.15 0.00 1.64 0.15 -1.26 -1.90 113.70 114.84 3kdy s SER 242 Ca 0.69 0.95 0.12 0.00 0.70 0.00 0.00 55.95 58.41 3kdy s SER 242 Cb -0.13 -2.18 -0.13 0.00 -1.71 0.00 0.00 66.02 61.87 3kdy s SER 242 CO 0.57 -0.69 0.52 0.35 1.20 0.00 0.00 173.24 175.19 3kdy n THR 243 N -2.37 0.00 -0.33 6.45 -2.24 -0.66 -4.62 114.28 110.51 3kdy n THR 243 Ca 0.02 -0.22 0.12 0.00 -2.27 0.00 0.00 64.05 61.70 3kdy n THR 243 Cb 0.55 1.00 0.31 0.00 -2.10 0.00 0.00 70.33 70.09 3kdy n THR 243 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 3kdy h SER 244 N 0.04 0.67 0.12 3.42 0.87 -1.95 0.31 113.55 117.02 3kdy h SER 244 Ca 0.00 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 3kdy h SER 244 Cb 0.29 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 3kdy h SER 244 CO 0.00 0.21 0.00 -2.65 -0.53 0.00 0.00 176.83 173.86 3kdy n PRO 245 N -4.83 0.02 -0.09 2.24 -0.02 -1.26 -1.74 135.00 129.32 3kdy n PRO 245 Ca 0.22 0.36 0.03 0.00 -2.02 0.00 0.00 63.50 62.09 3kdy n PRO 245 Cb 0.57 -1.50 0.08 0.00 -0.02 0.00 0.00 33.50 32.63 3kdy n PRO 245 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3kdy n PHE 246 N -1.41 0.23 -2.04 6.00 3.72 0.09 -4.86 117.46 119.19 3kdy n PHE 246 Ca 0.01 -0.53 -0.41 0.00 -0.05 0.00 0.00 57.45 56.48 3kdy n PHE 246 Cb 0.04 -0.05 -0.02 0.00 -0.94 0.00 0.00 39.48 38.51 3kdy n PHE 246 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3kdy s LEU 247 N -1.12 4.40 0.44 4.37 1.43 -0.71 -4.74 118.68 122.74 3kdy s LEU 247 Ca 0.13 2.72 0.10 0.00 -1.03 0.00 0.00 54.13 56.05 3kdy s LEU 247 Cb 0.07 -3.64 0.97 0.00 0.03 0.00 0.00 46.19 43.62 3kdy s LEU 247 CO 0.07 -0.64 2.06 0.00 0.23 0.00 0.00 176.35 178.08 3kdy h ALA 248 N 3.95 1.82 -0.96 4.21 0.00 -1.94 -2.84 119.26 123.50 3kdy h ALA 248 Ca -0.48 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 54.55 3kdy h ALA 248 Cb 1.22 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.81 3kdy h ALA 248 CO 0.70 0.14 0.61 0.93 0.00 0.00 0.00 179.25 181.63 3kdy h GLU 249 N 0.42 0.84 0.00 0.00 3.07 -1.97 0.23 114.58 117.17 3kdy h GLU 249 Ca 0.14 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 3kdy h GLU 249 Cb 0.06 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 27.78 3kdy h GLU 249 CO -0.03 0.55 0.00 0.41 -1.40 0.00 0.00 179.01 178.54 3kdy n GLY 250 N -1.38 -1.29 1.15 -3.84 0.00 -1.07 -1.82 105.19 96.94 3kdy n GLY 250 Ca 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3kdy n GLY 250 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3kdy n HIS 251 N -1.72 -0.21 0.05 1.61 8.25 -0.45 -2.54 115.22 120.21 3kdy n HIS 251 Ca 0.05 0.04 0.22 0.00 -0.26 0.00 0.00 57.72 57.76 3kdy n HIS 251 Cb 0.26 0.07 0.71 0.00 1.12 0.00 0.00 29.99 32.16 3kdy n HIS 251 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 3kdy h ASP 252 N 0.00 0.00 0.00 0.41 5.19 -0.81 -2.36 116.42 118.84 3kdy h ASP 252 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3kdy h ASP 252 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3kdy h ASP 252 CO 0.00 0.00 -0.03 -0.38 -3.12 0.00 0.00 179.24 175.71 3kdy n ILE 253 N -3.67 0.10 -0.03 0.35 5.41 -1.21 -4.67 119.36 115.65 3kdy n ILE 253 Ca 0.10 0.18 -0.08 0.00 1.00 0.00 0.00 62.75 63.95 3kdy n ILE 253 Cb 0.74 -1.23 -0.02 0.00 -0.71 0.00 0.00 39.64 38.42 3kdy n ILE 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kdy h ALA 254 N -0.67 0.00 -2.97 -1.39 0.00 -1.45 -3.35 119.26 109.44 3kdy h ALA 254 Ca 0.00 0.07 -0.61 0.00 0.00 0.00 0.00 54.91 54.37 3kdy h ALA 254 Cb 0.03 0.30 -0.40 0.00 0.00 0.00 0.00 17.79 17.71 3kdy h ALA 254 CO 0.00 -0.57 -0.72 0.50 0.00 0.00 0.00 179.25 178.46 3kdy s ARG 255 N -6.16 1.58 0.00 0.00 3.52 -1.02 -4.94 118.95 111.93 3kdy s ARG 255 Ca -0.14 -2.40 0.00 0.00 -0.13 0.00 0.00 55.73 53.06 3kdy s ARG 255 Cb 0.11 -2.57 0.00 0.00 -1.56 0.00 0.00 34.95 30.93 3kdy s ARG 255 CO 0.68 -1.21 1.02 -0.35 -0.81 0.00 0.00 175.30 174.62 3kdy n PRO 256 N 3.04 0.58 -2.45 5.12 -0.04 -0.92 -4.43 135.00 135.89 3kdy n PRO 256 Ca 0.14 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.17 3kdy n PRO 256 Cb 0.36 -1.21 -0.02 0.00 -0.04 0.00 0.00 33.50 32.59 3kdy n PRO 256 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3kdy s HIS 257 N 0.74 2.86 0.04 0.54 3.76 -1.26 -4.95 115.29 117.02 3kdy s HIS 257 Ca 0.00 1.03 -0.09 0.00 -0.15 0.00 0.00 55.06 55.85 3kdy s HIS 257 Cb 0.00 -3.58 -0.02 0.00 1.11 0.00 0.00 32.58 30.09 3kdy s HIS 257 CO 0.00 -1.56 1.15 1.49 -0.85 0.00 0.00 174.74 174.97 3kdy h GLU 258 N 8.39 -0.04 -0.92 1.40 4.81 -1.94 -0.34 114.58 125.94 3kdy h GLU 258 Ca -0.25 0.00 0.22 0.00 -0.13 0.00 0.00 59.36 59.20 3kdy h GLU 258 Cb 1.10 0.01 -0.12 0.00 0.63 0.00 0.00 28.75 30.36 3kdy h GLU 258 CO 0.99 -0.03 0.43 0.78 -0.73 0.00 0.00 179.01 180.46 3kdy h GLY 259 N -0.04 1.61 1.00 1.92 0.00 -1.93 -0.02 103.07 105.61 3kdy h GLY 259 Ca 0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 3kdy h GLY 259 CO -0.22 -0.26 0.34 -1.61 0.00 0.00 0.00 176.54 174.79 3kdy h GLN 260 N 0.44 0.89 -0.52 4.80 4.15 -1.23 -1.81 115.11 121.83 3kdy h GLN 260 Ca 0.58 -0.11 -0.05 0.00 0.77 0.00 0.00 58.65 59.83 3kdy h GLN 260 Cb 1.09 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.59 3kdy h GLN 260 CO -0.52 0.68 0.11 0.82 -1.93 0.00 0.00 178.83 178.00 3kdy h ILE 261 N 0.87 1.24 0.25 2.39 2.04 0.47 -2.04 117.51 122.73 3kdy h ILE 261 Ca 0.22 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 3kdy h ILE 261 Cb 0.06 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3kdy h ILE 261 CO -0.03 0.32 -0.14 0.44 0.00 0.00 0.00 178.15 178.73 3kdy h ASP 262 N 0.72 -0.35 -0.18 1.72 3.45 -1.05 -0.93 116.42 119.80 3kdy h ASP 262 Ca 0.16 0.02 0.04 0.00 0.43 0.00 0.00 57.03 57.68 3kdy h ASP 262 Cb 0.35 0.10 -0.04 0.00 -0.56 0.00 0.00 39.33 39.19 3kdy h ASP 262 CO 0.00 -0.23 -0.08 0.74 -1.57 0.00 0.00 179.24 178.10 3kdy h THR 263 N -0.37 0.74 -0.66 0.35 2.02 -1.29 0.16 112.91 113.86 3kdy h THR 263 Ca -0.03 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.22 3kdy h THR 263 Cb 0.30 0.74 -0.06 0.00 -1.74 0.00 0.00 68.15 67.39 3kdy h THR 263 CO 0.03 0.00 0.34 0.00 0.37 0.00 0.00 175.52 176.27 3kdy h ALA 264 N 1.10 0.89 -0.52 6.16 0.00 -1.24 0.62 119.26 126.26 3kdy h ALA 264 Ca 0.10 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3kdy h ALA 264 Cb 0.20 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3kdy h ALA 264 CO -0.22 -0.01 0.05 0.00 0.00 0.00 0.00 179.25 179.07 3kdy h ALA 265 N 1.37 0.70 -0.52 0.00 0.00 -0.60 -0.89 119.26 119.31 3kdy h ALA 265 Ca 0.31 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3kdy h ALA 265 Cb 0.25 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3kdy h ALA 265 CO -0.21 0.47 0.15 -0.91 0.00 0.00 0.00 179.25 178.75 3kdy h ASN 266 N 0.77 0.72 -0.19 0.00 4.21 0.07 -2.13 115.58 119.03 3kdy h ASN 266 Ca 0.15 -0.11 -0.16 0.00 1.21 0.00 0.00 56.30 57.39 3kdy h ASN 266 Cb 0.45 -0.19 0.00 0.00 -1.12 0.00 0.00 38.32 37.47 3kdy h ASN 266 CO 0.02 0.70 -0.51 0.24 -1.29 0.00 0.00 177.43 176.58 3kdy h MET 267 N 0.76 0.69 -0.66 0.81 2.86 -0.67 -1.69 114.93 117.03 3kdy h MET 267 Ca 0.17 -0.48 0.04 0.00 -2.06 0.00 0.00 59.70 57.37 3kdy h MET 267 Cb 0.24 0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.93 3kdy h MET 267 CO -0.01 1.10 0.40 0.00 1.06 0.00 0.00 176.91 179.46 3kdy h ARG 268 N 0.39 0.73 -0.18 1.72 3.08 -0.90 -1.68 114.38 117.54 3kdy h ARG 268 Ca -0.01 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.86 3kdy h ARG 268 Cb 1.13 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.01 3kdy h ARG 268 CO 0.11 0.49 -0.42 0.00 -1.07 0.00 0.00 179.97 179.08 3kdy h ALA 269 N 1.31 0.29 -0.32 0.04 0.00 -1.41 -3.01 119.26 116.16 3kdy h ALA 269 Ca 0.28 -0.46 0.04 0.00 0.00 0.00 0.00 54.91 54.77 3kdy h ALA 269 Cb 0.09 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3kdy h ALA 269 CO -0.14 0.41 0.22 -0.07 0.00 0.00 0.00 179.25 179.67 3kdy h LEU 270 N 0.26 0.22 -3.35 0.00 3.38 -1.01 -1.22 115.31 113.59 3kdy h LEU 270 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kdy h LEU 270 Cb 1.03 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3kdy h LEU 270 CO 0.09 0.15 0.00 0.23 0.09 0.00 0.00 178.44 179.00 3kdy n MET 271 N -4.48 4.31 -2.32 1.13 2.81 -0.66 -4.32 117.12 113.59 3kdy n MET 271 Ca 0.03 -3.04 -0.42 0.00 -1.81 0.00 0.00 57.70 52.46 3kdy n MET 271 Cb 0.21 -2.08 -0.03 0.00 -0.71 0.00 0.00 33.22 30.61 3kdy n MET 271 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 3kdy s ARG 272 N -2.31 4.31 0.00 0.03 3.00 -0.46 -3.47 118.95 120.05 3kdy s ARG 272 Ca 0.53 1.84 0.00 0.00 -1.00 0.00 0.00 55.73 57.10 3kdy s ARG 272 Cb 0.37 -3.56 0.00 0.00 0.00 0.00 0.00 34.95 31.76 3kdy s ARG 272 CO 0.20 -0.52 0.00 0.41 0.00 0.00 0.00 175.30 175.39 3kdy n GLY 273 N 3.52 0.96 3.58 8.12 0.00 -1.26 -4.04 105.19 116.07 3kdy n GLY 273 Ca 0.12 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 3kdy n GLY 273 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kdy s SER 274 N -2.86 4.73 0.00 1.61 0.15 -1.23 -4.03 113.70 112.07 3kdy s SER 274 Ca 0.00 -0.01 0.23 0.00 0.70 0.00 0.00 55.95 56.87 3kdy s SER 274 Cb 0.00 -1.27 0.45 0.00 -1.71 0.00 0.00 66.02 63.49 3kdy s SER 274 CO 0.00 0.34 1.41 0.61 1.20 0.00 0.00 173.24 176.81 3kdy n GLY 275 N 2.35 1.82 0.13 9.45 0.00 -0.81 -4.42 105.19 113.71 3kdy n GLY 275 Ca -0.18 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 44.82 3kdy n GLY 275 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kdy n LEU 276 N 1.51 1.96 -4.74 0.99 4.77 -1.17 -4.98 117.00 115.35 3kdy n LEU 276 Ca 0.20 0.35 -0.37 0.00 -0.03 0.00 0.00 56.01 56.15 3kdy n LEU 276 Cb 0.61 -0.86 0.06 0.00 -2.33 0.00 0.00 43.42 40.90 3kdy n LEU 276 CO 0.16 0.52 0.93 0.42 -1.33 0.00 0.00 177.39 178.09 3kdy s THR 277 N -2.48 2.03 0.19 -5.08 -4.23 -1.26 -4.64 115.64 100.17 3kdy s THR 277 Ca -0.36 0.02 0.10 0.00 -1.18 0.00 0.00 61.69 60.26 3kdy s THR 277 Cb 0.13 -3.01 -0.04 0.00 1.34 0.00 0.00 72.50 70.91 3kdy s THR 277 CO 0.52 -0.00 -0.20 0.68 -0.54 0.00 0.00 174.62 175.08 3kdy s VAL 278 N -1.36 2.02 0.10 2.29 -7.23 -0.80 -5.00 120.40 110.42 3kdy s VAL 278 Ca 0.79 -2.03 0.03 0.00 -1.81 0.00 0.00 61.98 58.96 3kdy s VAL 278 Cb -0.39 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 3kdy s VAL 278 CO 0.42 -0.30 0.14 -0.70 -0.31 0.00 0.00 175.10 174.35 3kdy s GLU 279 N -2.93 3.05 0.26 4.82 2.12 -1.26 -1.65 118.70 123.11 3kdy s GLU 279 Ca 0.19 -0.67 -0.04 0.00 0.36 0.00 0.00 54.97 54.81 3kdy s GLU 279 Cb -0.06 -2.80 0.52 0.00 0.26 0.00 0.00 34.13 32.05 3kdy s GLU 279 CO 0.08 0.55 1.63 1.25 -0.54 0.00 0.00 175.26 178.24 3kdy h HIS 280 N 2.94 0.04 0.00 5.30 -0.00 -1.96 0.61 115.15 122.09 3kdy h HIS 280 Ca -0.47 0.06 0.00 0.00 -0.00 0.00 0.00 60.37 59.96 3kdy h HIS 280 Cb 1.17 0.11 0.00 0.00 -0.00 0.00 0.00 27.41 28.69 3kdy h HIS 280 CO 0.59 -0.24 0.20 0.00 -0.00 0.00 0.00 177.93 178.48 3kdy h ALA 281 N 1.74 1.15 0.07 5.26 0.00 -1.99 0.26 119.26 125.76 3kdy h ALA 281 Ca 0.46 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.99 3kdy h ALA 281 Cb 0.84 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 3kdy h ALA 281 CO -0.68 -0.15 -2.19 -0.25 0.00 0.00 0.00 179.25 175.98 3kdy n ASP 282 N -2.30 2.07 -0.11 0.00 8.00 0.21 -3.36 116.55 121.06 3kdy n ASP 282 Ca -0.01 0.07 -0.10 0.00 0.71 0.00 0.00 54.79 55.46 3kdy n ASP 282 Cb 0.23 -0.68 -0.02 0.00 -0.02 0.00 0.00 41.12 40.63 3kdy n ASP 282 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3kdy h LEU 283 N 0.02 0.48 -0.98 0.64 3.38 -0.64 0.18 115.31 118.39 3kdy h LEU 283 Ca -0.49 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.18 3kdy h LEU 283 Cb 1.97 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.58 3kdy h LEU 283 CO 0.01 0.57 -0.21 0.08 0.09 0.00 0.00 178.44 178.98 3kdy h ARG 284 N 0.37 0.49 -0.44 1.13 0.11 -1.36 0.28 114.38 114.96 3kdy h ARG 284 Ca 0.10 -0.17 -0.09 0.00 0.10 0.00 0.00 59.98 59.92 3kdy h ARG 284 Cb 0.27 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.30 3kdy h ARG 284 CO -0.00 0.67 -0.09 0.00 0.10 0.00 0.00 179.97 180.65 3kdy h ARG 285 N 0.44 0.84 0.00 0.08 3.08 -1.49 0.46 114.38 117.79 3kdy h ARG 285 Ca 0.07 -0.32 -0.09 0.00 0.07 0.00 0.00 59.98 59.72 3kdy h ARG 285 Cb 0.62 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 3kdy h ARG 285 CO 0.04 0.95 -0.41 1.49 -1.07 0.00 0.00 179.97 180.97 3kdy h GLU 286 N 0.68 0.00 0.00 0.04 4.81 -0.29 -3.10 114.58 116.72 3kdy h GLU 286 Ca 0.11 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3kdy h GLU 286 Cb 0.63 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.01 3kdy h GLU 286 CO 0.04 0.41 -0.00 -0.07 -0.73 0.00 0.00 179.01 178.66 3kdy h LEU 287 N 0.00 -0.00 -1.95 1.64 3.38 -0.27 -2.79 115.31 115.33 3kdy h LEU 287 Ca -0.00 -0.97 0.00 0.00 0.09 0.00 0.00 57.88 57.00 3kdy h LEU 287 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3kdy h LEU 287 CO 0.05 0.97 0.07 -0.61 0.09 0.00 0.00 178.44 179.01 3kdy h GLN 288 N -0.98 0.00 0.00 1.13 4.15 -0.98 0.30 115.11 118.73 3kdy h GLN 288 Ca -0.00 0.00 -0.27 0.00 0.77 0.00 0.00 58.65 59.15 3kdy h GLN 288 Cb 0.97 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.61 3kdy h GLN 288 CO 0.00 0.00 -1.78 1.63 -1.93 0.00 0.00 178.83 176.75 3kdy n LYS 289 N -2.57 0.64 0.13 1.69 5.02 -1.17 -4.03 118.16 117.87 3kdy n LYS 289 Ca -0.02 0.20 -0.01 0.00 -2.02 0.00 0.00 58.31 56.46 3kdy n LYS 289 Cb 0.11 -1.73 0.15 0.00 -0.02 0.00 0.00 35.03 33.53 3kdy n LYS 289 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 3kdy h ASP 290 N 0.00 0.00 0.00 4.39 1.82 -0.67 -2.87 116.42 119.09 3kdy h ASP 290 Ca -0.30 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.34 3kdy h ASP 290 Cb 1.93 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.94 3kdy h ASP 290 CO 0.06 0.64 0.00 0.29 -1.61 0.00 0.00 179.24 178.62 3kdy n LYS 291 N -3.70 0.46 0.22 0.28 5.02 -0.77 -3.94 118.16 115.72 3kdy n LYS 291 Ca -0.01 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.34 3kdy n LYS 291 Cb 0.65 -1.10 0.34 0.00 -0.02 0.00 0.00 35.03 34.90 3kdy n LYS 291 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 3kdy h GLU 292 N 0.23 0.00 -7.13 1.97 9.09 -1.73 -3.41 114.58 113.60 3kdy h GLU 292 Ca 0.00 0.00 -0.54 0.00 0.05 0.00 0.00 59.36 58.87 3kdy h GLU 292 Cb 0.10 0.00 0.18 0.00 -1.65 0.00 0.00 28.75 27.38 3kdy h GLU 292 CO 0.00 0.00 0.28 0.00 0.05 0.00 0.00 179.01 179.34 3kdy n ALA 293 N -1.56 -0.02 -0.33 1.06 0.00 -1.25 -4.88 120.51 113.52 3kdy n ALA 293 Ca -0.01 -0.28 -0.10 0.00 0.00 0.00 0.00 53.44 53.06 3kdy n ALA 293 Cb 0.50 -2.22 -0.08 0.00 0.00 0.00 0.00 19.45 17.65 3kdy n ALA 293 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3kdy h GLY 294 N -0.66 -1.13 -1.22 0.00 0.00 -1.99 -3.47 103.07 94.61 3kdy h GLY 294 Ca -0.47 0.85 0.21 0.00 0.00 0.00 0.00 47.33 47.92 3kdy h GLY 294 CO 0.46 -0.13 0.58 1.17 0.00 0.00 0.00 176.54 178.63 3kdy n LYS 295 N -4.91 0.21 0.00 4.80 4.81 -1.26 -5.19 118.16 116.61 3kdy n LYS 295 Ca 0.01 -0.67 0.00 0.00 -0.87 0.00 0.00 58.31 56.79 3kdy n LYS 295 Cb 0.23 1.03 0.00 0.00 0.02 0.00 0.00 35.03 36.30 3kdy n LYS 295 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3kdy n ASP 296 N -0.87 0.00 -4.61 3.14 8.00 -1.26 -4.64 116.55 116.30 3kdy n ASP 296 Ca 0.02 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.09 3kdy n ASP 296 Cb 0.41 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.49 3kdy n ASP 296 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3kdy s VAL 297 N 0.00 4.25 -0.12 2.53 1.01 -1.26 -5.00 120.40 121.81 3kdy s VAL 297 Ca 0.00 1.33 -0.02 0.00 0.00 0.00 0.00 61.98 63.29 3kdy s VAL 297 Cb 0.00 -4.50 -0.03 0.00 0.00 0.00 0.00 36.38 31.86 3kdy s VAL 297 CO 0.00 -0.83 -0.06 -1.10 0.00 0.00 0.00 175.10 173.11 3kdy s GLN 298 N 4.29 3.33 -0.30 2.72 -0.21 -1.26 -5.10 119.66 123.13 3kdy s GLN 298 Ca 0.49 -0.55 -0.10 0.00 0.02 0.00 0.00 55.36 55.22 3kdy s GLN 298 Cb -0.09 -2.77 -0.02 0.00 1.00 0.00 0.00 33.01 31.13 3kdy s GLN 298 CO 0.27 0.38 0.16 1.03 -2.12 0.00 0.00 175.29 175.01 3kdy s ARG 299 N -0.03 3.50 0.13 2.91 0.52 -1.26 -5.09 118.95 119.63 3kdy s ARG 299 Ca 0.00 -0.61 0.10 0.00 -0.52 0.00 0.00 55.73 54.70 3kdy s ARG 299 Cb -0.13 -3.57 -0.04 0.00 0.52 0.00 0.00 34.95 31.72 3kdy s ARG 299 CO 0.03 -0.35 -0.20 0.45 0.02 0.00 0.00 175.30 175.25 3kdy s SER 300 N 1.65 3.72 0.00 0.23 0.15 -1.26 -5.02 113.70 113.17 3kdy s SER 300 Ca 0.05 -0.64 0.27 0.00 0.70 0.00 0.00 55.95 56.34 3kdy s SER 300 Cb -0.17 -0.45 0.92 0.00 -1.71 0.00 0.00 66.02 64.62 3kdy s SER 300 CO 0.07 0.17 1.67 -0.62 1.20 0.00 0.00 173.24 175.73 3kdy n GLU 301 N 0.74 1.25 -3.80 5.44 1.02 -1.26 -4.86 120.64 119.16 3kdy n GLU 301 Ca -0.16 -0.72 -0.36 0.00 -0.02 0.00 0.00 57.16 55.90 3kdy n GLU 301 Cb 0.53 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 30.40 3kdy n GLU 301 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3kdy s ILE 302 N -2.25 5.45 -0.34 -3.67 -4.36 -1.26 -5.07 121.20 109.70 3kdy s ILE 302 Ca 0.31 0.25 -0.10 0.00 -0.26 0.00 0.00 60.65 60.85 3kdy s ILE 302 Cb 0.20 -3.45 0.01 0.00 1.25 0.00 0.00 42.46 40.48 3kdy s ILE 302 CO 0.42 0.55 0.17 -0.31 0.24 0.00 0.00 174.94 176.02 3kdy s TYR 303 N -0.56 3.21 0.65 1.37 2.02 -1.26 -4.94 117.35 117.84 3kdy s TYR 303 Ca 0.13 -0.79 0.34 0.00 -0.37 0.00 0.00 57.07 56.39 3kdy s TYR 303 Cb -0.12 -2.38 1.89 0.00 -0.40 0.00 0.00 41.96 40.95 3kdy s TYR 303 CO 0.03 -0.56 2.09 1.25 -1.57 0.00 0.00 175.55 176.79 3kdy h LEU 304 N 8.38 0.00 0.00 -1.29 5.85 -1.98 -3.43 115.31 122.84 3kdy h LEU 304 Ca -0.29 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.43 3kdy h LEU 304 Cb 1.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.15 3kdy h LEU 304 CO 0.64 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.74 3kdy n GLN 305 N -3.12 0.00 -4.14 1.25 6.02 -1.26 -4.98 117.38 111.15 3kdy n GLN 305 Ca -0.01 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.88 3kdy n GLN 305 Cb 0.28 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.44 3kdy n GLN 305 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3kdy s LYS 306 N -0.77 0.88 0.72 -1.09 -0.14 -1.26 -5.01 119.74 113.07 3kdy s LYS 306 Ca 0.00 -1.41 -0.16 0.00 -1.36 0.00 0.00 55.97 53.04 3kdy s LYS 306 Cb 0.00 0.20 0.00 0.00 -1.68 0.00 0.00 37.83 36.36 3kdy s LYS 306 CO 0.00 -0.22 0.98 0.00 -0.76 0.00 0.00 175.35 175.34 3kdy n ALA 307 N -0.07 -0.20 -0.39 5.17 0.00 -1.26 -4.58 120.51 119.18 3kdy n ALA 307 Ca -0.07 -0.18 0.31 0.00 0.00 0.00 0.00 53.44 53.50 3kdy n ALA 307 Cb 0.63 -2.12 0.59 0.00 0.00 0.00 0.00 19.45 18.55 3kdy n ALA 307 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3kdy h TYR 308 N -0.22 0.56 -0.13 0.00 -1.99 -2.00 0.18 116.97 113.37 3kdy h TYR 308 Ca -0.47 0.02 0.04 0.00 2.00 0.00 0.00 58.73 60.32 3kdy h TYR 308 Cb 1.33 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 39.91 3kdy h TYR 308 CO 0.40 -0.08 0.16 0.66 -0.00 0.00 0.00 178.16 179.30 3kdy h SER 309 N 0.22 0.00 0.00 3.88 4.64 -1.94 -0.08 113.55 120.27 3kdy h SER 309 Ca 0.71 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 62.02 3kdy h SER 309 Cb 2.10 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 64.16 3kdy h SER 309 CO -0.35 0.00 -0.26 0.18 -0.87 0.00 0.00 176.83 175.53 3kdy n LEU 310 N -3.76 1.99 0.00 5.97 4.77 0.60 -4.70 117.00 121.88 3kdy n LEU 310 Ca 0.00 -2.90 0.00 0.00 -0.03 0.00 0.00 56.01 53.08 3kdy n LEU 310 Cb 0.27 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 3kdy n LEU 310 CO 0.27 0.79 -0.17 -1.14 -1.33 0.00 0.00 177.39 175.81 3kdy n ARG 311 N -1.02 0.00 -1.10 3.23 0.63 -0.68 -4.84 116.66 112.88 3kdy n ARG 311 Ca 0.14 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.83 3kdy n ARG 311 Cb 0.69 -0.43 0.12 0.00 0.45 0.00 0.00 32.46 33.30 3kdy n ARG 311 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3kdy n ALA 312 N -2.25 5.43 -0.14 5.13 0.00 -0.13 -4.56 120.51 123.99 3kdy n ALA 312 Ca 0.00 -2.62 -0.09 0.00 0.00 0.00 0.00 53.44 50.73 3kdy n ALA 312 Cb 0.17 -1.48 -0.00 0.00 0.00 0.00 0.00 19.45 18.14 3kdy n ALA 312 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3kdy h ILE 313 N 0.90 1.19 -0.58 0.00 2.04 -1.84 -2.11 117.51 117.11 3kdy h ILE 313 Ca 0.53 -0.58 0.01 0.00 1.00 0.00 0.00 64.86 65.82 3kdy h ILE 313 Cb 1.97 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.82 3kdy h ILE 313 CO 1.08 0.21 0.38 -0.65 0.00 0.00 0.00 178.15 179.17 3kdy h PRO 314 N 0.53 0.74 0.04 2.37 0.11 -1.89 -1.02 132.00 132.88 3kdy h PRO 314 Ca 0.14 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 3kdy h PRO 314 Cb 0.17 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3kdy h PRO 314 CO -0.01 0.49 -0.02 1.96 -0.21 0.00 0.00 178.00 180.21 3kdy h GLN 315 N 0.76 -0.05 0.64 1.05 7.50 -1.84 0.14 115.11 123.31 3kdy h GLN 315 Ca 0.22 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.34 3kdy h GLN 315 Cb -0.06 0.01 0.01 0.00 0.05 0.00 0.00 27.48 27.49 3kdy h GLN 315 CO -0.06 0.24 -0.31 0.28 -1.50 0.00 0.00 178.83 177.48 3kdy h VAL 316 N -0.34 0.00 0.00 -0.54 2.07 -1.34 -1.01 116.25 115.10 3kdy h VAL 316 Ca -0.00 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 3kdy h VAL 316 Cb 0.31 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.08 3kdy h VAL 316 CO 0.01 0.00 -0.10 0.58 0.02 0.00 0.00 177.57 178.08 3kdy h VAL 317 N -1.22 0.47 -0.39 2.57 2.07 -1.32 -1.98 116.25 116.45 3kdy h VAL 317 Ca -0.09 -0.49 -0.15 0.00 0.82 0.00 0.00 66.70 66.79 3kdy h VAL 317 Cb 0.66 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 3kdy h VAL 317 CO 0.14 0.10 -0.34 1.23 0.02 0.00 0.00 177.57 178.72 3kdy h GLY 318 N 0.90 0.99 1.59 2.17 0.00 -0.65 -1.09 103.07 106.98 3kdy h GLY 318 Ca -0.00 -0.99 -0.11 0.00 0.00 0.00 0.00 47.33 46.22 3kdy h GLY 318 CO 0.01 0.90 -0.35 0.00 0.00 0.00 0.00 176.54 177.10 3kdy h ALA 319 N 0.78 1.00 -0.62 3.60 0.00 -0.50 -2.14 119.26 121.38 3kdy h ALA 319 Ca 0.07 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 3kdy h ALA 319 Cb 0.93 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 3kdy h ALA 319 CO 0.09 0.60 0.17 0.28 0.00 0.00 0.00 179.25 180.39 3kdy h VAL 320 N 0.39 1.25 -0.35 0.00 2.07 -1.22 -2.65 116.25 115.74 3kdy h VAL 320 Ca 0.04 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 3kdy h VAL 320 Cb 0.80 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3kdy h VAL 320 CO 0.06 0.34 0.21 0.03 0.02 0.00 0.00 177.57 178.23 3kdy h ARG 321 N 0.91 0.48 -0.01 1.57 3.08 -0.85 -2.01 114.38 117.55 3kdy h ARG 321 Ca 0.20 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.23 3kdy h ARG 321 Cb 0.33 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 3kdy h ARG 321 CO -0.00 0.37 -0.24 -0.44 -1.07 0.00 0.00 179.97 178.59 3kdy h ASP 322 N 0.46 -0.71 -0.64 7.04 3.32 -1.23 0.18 116.42 124.82 3kdy h ASP 322 Ca 0.13 0.10 0.12 0.00 0.02 0.00 0.00 57.03 57.40 3kdy h ASP 322 Cb 0.01 0.29 -0.09 0.00 0.22 0.00 0.00 39.33 39.77 3kdy h ASP 322 CO -0.02 -0.31 0.17 0.74 -1.72 0.00 0.00 179.24 178.09 3kdy h THR 323 N -0.37 0.63 -0.88 0.35 2.02 -1.33 0.46 112.91 113.79 3kdy h THR 323 Ca 0.06 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 3kdy h THR 323 Cb 0.46 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 3kdy h THR 323 CO -0.22 0.05 0.49 -0.07 0.37 0.00 0.00 175.52 176.15 3kdy h LEU 324 N 0.30 1.09 -0.25 2.58 3.38 -0.53 -0.96 115.31 120.92 3kdy h LEU 324 Ca 0.34 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 3kdy h LEU 324 Cb 0.52 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3kdy h LEU 324 CO -0.41 0.87 0.11 1.88 0.09 0.00 0.00 178.44 180.98 3kdy h TYR 325 N 1.23 0.37 -0.69 1.13 0.05 0.10 -0.07 116.97 119.10 3kdy h TYR 325 Ca 0.31 -0.02 0.02 0.00 0.05 0.00 0.00 58.73 59.09 3kdy h TYR 325 Cb 0.01 -0.11 -0.04 0.00 1.01 0.00 0.00 36.73 37.60 3kdy h TYR 325 CO 0.01 0.37 0.45 1.25 -1.05 0.00 0.00 178.16 179.19 3kdy h HIS 326 N 0.26 0.82 -0.12 4.88 2.76 -0.62 -0.31 115.15 122.81 3kdy h HIS 326 Ca 0.08 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.23 3kdy h HIS 326 Cb 0.15 -0.28 -0.00 0.00 1.55 0.00 0.00 27.41 28.84 3kdy h HIS 326 CO -0.01 0.49 -0.09 0.00 -1.30 0.00 0.00 177.93 177.01 3kdy h ALA 327 N 1.59 0.18 -1.00 5.26 0.00 -0.77 -2.28 119.26 122.24 3kdy h ALA 327 Ca 0.27 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3kdy h ALA 327 Cb -0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 3kdy h ALA 327 CO -0.07 0.00 0.66 -0.09 0.00 0.00 0.00 179.25 179.75 3kdy h ARG 328 N -0.10 1.27 0.63 0.00 2.43 -0.59 0.24 114.38 118.26 3kdy h ARG 328 Ca 0.02 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 3kdy h ARG 328 Cb 0.59 -0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 3kdy h ARG 328 CO 0.02 0.84 -0.39 1.25 -1.51 0.00 0.00 179.97 180.18 3kdy h HIS 329 N 1.31 -1.05 -0.52 2.20 2.76 -1.00 0.43 115.15 119.28 3kdy h HIS 329 Ca 0.38 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.57 3kdy h HIS 329 Cb -0.08 0.37 -0.04 0.00 1.55 0.00 0.00 27.41 29.22 3kdy h HIS 329 CO -0.00 -0.59 0.30 0.87 -1.30 0.00 0.00 177.93 177.20 3kdy h LYS 330 N -0.97 0.57 -0.90 5.26 1.79 -1.15 -0.50 116.57 120.67 3kdy h LYS 330 Ca -0.08 -0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.38 3kdy h LYS 330 Cb 0.79 -0.13 -0.05 0.00 -1.58 0.00 0.00 32.23 31.26 3kdy h LYS 330 CO 0.08 0.38 0.60 -0.07 -1.08 0.00 0.00 179.45 179.35 3kdy h LEU 331 N 0.59 1.01 0.28 2.94 3.38 -0.32 0.19 115.31 123.38 3kdy h LEU 331 Ca 0.22 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3kdy h LEU 331 Cb 0.06 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3kdy h LEU 331 CO -0.12 0.71 -0.14 -0.09 0.09 0.00 0.00 178.44 178.90 3kdy h ARG 332 N 1.18 -0.37 -0.41 1.13 2.43 0.73 -0.36 114.38 118.71 3kdy h ARG 332 Ca 0.34 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.59 3kdy h ARG 332 Cb -0.06 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 3kdy h ARG 332 CO -0.09 -0.14 0.16 0.82 -1.51 0.00 0.00 179.97 179.21 3kdy h ILE 333 N -0.54 0.90 -0.22 1.20 2.04 -0.68 -2.46 117.51 117.75 3kdy h ILE 333 Ca -0.04 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 3kdy h ILE 333 Cb 0.40 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3kdy h ILE 333 CO 0.06 0.06 0.12 -0.08 0.00 0.00 0.00 178.15 178.32 3kdy h GLU 334 N 0.34 0.30 -0.65 2.37 4.57 -0.57 -2.74 114.58 118.19 3kdy h GLU 334 Ca 0.19 -0.03 0.14 0.00 -1.18 0.00 0.00 59.36 58.47 3kdy h GLU 334 Cb 0.16 -0.06 -0.10 0.00 -0.16 0.00 0.00 28.75 28.58 3kdy h GLU 334 CO -0.18 0.27 0.08 -0.07 -1.18 0.00 0.00 179.01 177.93 3kdy h LEU 335 N 0.25 -0.14 -5.72 1.64 3.38 -0.78 -1.72 115.31 112.21 3kdy h LEU 335 Ca 0.08 0.14 -0.76 0.00 0.09 0.00 0.00 57.88 57.43 3kdy h LEU 335 Cb 0.06 0.23 -0.23 0.00 0.09 0.00 0.00 40.66 40.80 3kdy h LEU 335 CO -0.01 -0.07 1.25 0.59 0.09 0.00 0.00 178.44 180.29 3kdy n ASN 336 N -5.22 7.46 -3.79 -0.43 3.02 -0.95 -4.48 115.26 110.86 3kdy n ASN 336 Ca 0.11 -3.58 -0.13 0.00 -0.03 0.00 0.00 54.58 50.95 3kdy n ASN 336 Cb 0.38 -1.19 -0.10 0.00 -0.61 0.00 0.00 39.78 38.27 3kdy n ASN 336 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3kdy s SER 337 N -0.82 -0.16 -1.48 6.41 1.04 -0.65 -4.75 113.70 113.30 3kdy s SER 337 Ca 0.46 0.13 -0.11 0.00 0.48 0.00 0.00 55.95 56.91 3kdy s SER 337 Cb 0.26 0.35 0.02 0.00 0.10 0.00 0.00 66.02 66.75 3kdy s SER 337 CO -0.19 -0.34 2.46 0.00 0.98 0.00 0.00 173.24 176.15 3kdy n ALA 338 N 1.73 6.42 -1.91 5.32 0.00 -1.26 -4.71 120.51 126.10 3kdy n ALA 338 Ca -0.20 -3.84 -0.34 0.00 0.00 0.00 0.00 53.44 49.06 3kdy n ALA 338 Cb 0.56 -3.30 -0.04 0.00 0.00 0.00 0.00 19.45 16.67 3kdy n ALA 338 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kdy s ASN 339 N 2.12 4.97 -0.02 0.00 4.22 -1.26 -4.77 114.94 120.20 3kdy s ASN 339 Ca 0.55 0.25 -0.30 0.00 -2.14 0.00 0.00 52.86 51.21 3kdy s ASN 339 Cb 0.15 -2.53 0.12 0.00 1.28 0.00 0.00 41.25 40.27 3kdy s ASN 339 CO -0.07 -2.68 1.30 -0.62 -2.04 0.00 0.00 177.10 173.00 3kdy s ASP 340 N 9.11 -0.05 -0.28 3.54 2.15 -1.25 -4.33 116.67 125.56 3kdy s ASP 340 Ca 0.76 -0.13 -0.21 0.00 0.43 0.00 0.00 52.55 53.40 3kdy s ASP 340 Cb -0.12 0.15 0.13 0.00 -0.30 0.00 0.00 42.92 42.77 3kdy s ASP 340 CO 0.16 -0.27 0.98 0.21 -0.17 0.00 0.00 175.17 176.08 3kdy s ASN 341 N -3.06 -0.52 0.81 -0.34 2.47 -1.26 -4.12 114.94 108.92 3kdy s ASN 341 Ca 0.16 0.90 -0.11 0.00 0.42 0.00 0.00 52.86 54.23 3kdy s ASN 341 Cb 0.05 1.06 0.11 0.00 -1.45 0.00 0.00 41.25 41.01 3kdy s ASN 341 CO -0.04 -0.15 1.16 -2.16 -3.72 0.00 0.00 177.10 172.19 3kdy s PRO 342 N 0.79 1.67 0.02 0.43 0.04 -1.26 -4.83 135.00 131.85 3kdy s PRO 342 Ca -0.03 -0.21 0.07 0.00 0.04 0.00 0.00 61.00 60.87 3kdy s PRO 342 Cb -0.04 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 3kdy s PRO 342 CO -0.11 -1.69 -0.18 -0.51 0.04 0.00 0.00 177.00 174.55 3kdy s LEU 343 N -5.53 2.57 -0.09 -3.56 1.43 -0.30 -4.85 118.68 108.34 3kdy s LEU 343 Ca 0.65 -0.39 -0.07 0.00 -1.03 0.00 0.00 54.13 53.29 3kdy s LEU 343 Cb -0.09 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 3kdy s LEU 343 CO 0.48 0.28 0.17 0.12 0.23 0.00 0.00 176.35 177.64 3kdy s PHE 344 N -0.85 3.60 -0.11 0.29 5.36 -0.41 0.59 117.98 126.45 3kdy s PHE 344 Ca 0.13 0.55 -0.04 0.00 -0.96 0.00 0.00 56.93 56.61 3kdy s PHE 344 Cb -0.10 -1.95 0.05 0.00 -0.34 0.00 0.00 43.02 40.67 3kdy s PHE 344 CO 0.04 0.72 0.09 -0.06 -1.46 0.00 0.00 175.22 174.54 3kdy s PHE 345 N -1.08 0.09 -0.17 10.12 0.08 -1.26 -4.70 117.98 121.06 3kdy s PHE 345 Ca 0.18 0.02 -0.41 0.00 0.12 0.00 0.00 56.93 56.84 3kdy s PHE 345 Cb -0.12 -0.56 -0.19 0.00 -0.57 0.00 0.00 43.02 41.58 3kdy s PHE 345 CO 0.07 -0.36 1.38 -1.91 -0.10 0.00 0.00 175.22 174.30 3kdy n GLU 346 N 5.29 0.41 -2.95 0.44 2.13 -1.26 -0.72 120.64 123.98 3kdy n GLU 346 Ca -0.05 0.15 -0.15 0.00 0.66 0.00 0.00 57.16 57.76 3kdy n GLU 346 Cb 0.50 -1.70 0.04 0.00 0.27 0.00 0.00 31.44 30.54 3kdy n GLU 346 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kdy n GLY 347 N 2.82 -0.09 3.27 8.31 0.00 -1.26 -5.01 105.19 113.22 3kdy n GLY 347 Ca 0.24 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 3kdy n GLY 347 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kdy s LYS 348 N -5.54 0.96 0.40 1.61 1.02 0.10 -5.15 119.74 113.15 3kdy s LYS 348 Ca 0.28 -0.77 -0.24 0.00 0.02 0.00 0.00 55.97 55.25 3kdy s LYS 348 Cb -0.12 0.41 -0.09 0.00 -0.52 0.00 0.00 37.83 37.51 3kdy s LYS 348 CO 0.34 -0.35 1.09 -1.21 -0.92 0.00 0.00 175.35 174.31 3kdy s GLU 349 N -3.68 4.11 0.03 1.68 0.41 -1.26 -4.61 118.70 115.37 3kdy s GLU 349 Ca 0.03 1.61 -0.35 0.00 -0.41 0.00 0.00 54.97 55.85 3kdy s GLU 349 Cb 0.03 -2.57 -0.14 0.00 -1.78 0.00 0.00 34.13 29.67 3kdy s GLU 349 CO -0.11 -0.21 1.64 -0.89 -0.49 0.00 0.00 175.26 175.20 3kdy n ILE 350 N -0.06 0.20 -2.24 -1.63 5.41 -1.26 -4.69 119.36 115.08 3kdy n ILE 350 Ca 0.05 -0.04 -0.42 0.00 1.00 0.00 0.00 62.75 63.34 3kdy n ILE 350 Cb 0.49 -1.47 -0.03 0.00 -0.71 0.00 0.00 39.64 37.92 3kdy n ILE 350 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 3kdy s PHE 351 N 2.03 2.78 -0.58 1.39 5.36 0.20 -4.87 117.98 124.29 3kdy s PHE 351 Ca 0.86 0.80 0.02 0.00 -0.96 0.00 0.00 56.93 57.65 3kdy s PHE 351 Cb -0.78 -3.65 0.15 0.00 -0.34 0.00 0.00 43.02 38.40 3kdy s PHE 351 CO 0.46 -2.42 0.35 -1.01 -1.46 0.00 0.00 175.22 171.15 3kdy s HIS 352 N 2.69 3.30 0.00 10.12 3.76 -1.26 -1.15 115.29 132.75 3kdy s HIS 352 Ca 0.63 -3.07 0.00 0.00 -0.15 0.00 0.00 55.06 52.47 3kdy s HIS 352 Cb -0.30 -2.93 0.00 0.00 1.11 0.00 0.00 32.58 30.46 3kdy s HIS 352 CO 0.25 -0.75 0.00 0.41 -0.85 0.00 0.00 174.74 173.80 3kdy n GLY 353 N 3.06 5.41 2.24 -2.22 0.00 -1.26 -5.10 105.19 107.32 3kdy n GLY 353 Ca 0.08 -1.28 -0.19 0.00 0.00 0.00 0.00 46.02 44.63 3kdy n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kdy n ALA 354 N -3.00 1.88 1.55 4.61 0.00 -1.26 -4.90 120.51 119.39 3kdy n ALA 354 Ca 0.00 -3.23 0.14 0.00 0.00 0.00 0.00 53.44 50.35 3kdy n ALA 354 Cb 0.00 -0.92 0.62 0.00 0.00 0.00 0.00 19.45 19.16 3kdy n ALA 354 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kdy n ASN 355 N 0.68 0.81 0.20 0.00 3.02 -1.26 -3.14 115.26 115.58 3kdy n ASN 355 Ca 0.22 -1.04 0.12 0.00 -0.03 0.00 0.00 54.58 53.85 3kdy n ASN 355 Cb 0.62 -0.01 0.20 0.00 -0.61 0.00 0.00 39.78 39.98 3kdy n ASN 355 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 3kdy h PHE 356 N 1.18 0.00 -2.55 3.10 -5.15 -1.86 -3.33 116.94 108.33 3kdy h PHE 356 Ca 0.00 0.00 -0.54 0.00 -0.20 0.00 0.00 57.97 57.23 3kdy h PHE 356 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.52 3kdy h PHE 356 CO 0.00 0.00 1.12 -1.58 -2.00 0.00 0.00 178.31 175.85 3kdy s HIS 357 N -3.20 1.83 -0.54 6.09 2.46 -1.19 -4.12 115.29 116.62 3kdy s HIS 357 Ca 0.07 0.02 0.00 0.00 0.47 0.00 0.00 55.06 55.62 3kdy s HIS 357 Cb 0.06 -4.02 0.48 0.00 -0.13 0.00 0.00 32.58 28.97 3kdy s HIS 357 CO 0.66 -4.36 1.97 0.41 -2.47 0.00 0.00 174.74 170.96 3kdy n GLY 358 N 4.23 5.14 0.16 1.59 0.00 -1.01 -4.65 105.19 110.65 3kdy n GLY 358 Ca 0.18 -1.73 -0.07 0.00 0.00 0.00 0.00 46.02 44.40 3kdy n GLY 358 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3kdy h GLN 359 N 1.57 0.38 -0.75 1.61 5.75 -1.91 0.33 115.11 122.09 3kdy h GLN 359 Ca 0.57 -0.02 0.06 0.00 -0.15 0.00 0.00 58.65 59.10 3kdy h GLN 359 Cb 1.49 -0.09 -0.06 0.00 1.07 0.00 0.00 27.48 29.90 3kdy h GLN 359 CO 1.31 0.25 0.45 -1.00 -2.65 0.00 0.00 178.83 177.19 3kdy h PRO 360 N 0.39 0.80 0.02 -2.39 0.13 -2.00 0.13 132.00 129.09 3kdy h PRO 360 Ca 0.14 -0.05 -0.22 0.00 -0.87 0.00 0.00 66.00 65.01 3kdy h PRO 360 Cb 0.03 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 30.97 3kdy h PRO 360 CO -0.08 0.53 -0.96 0.82 -0.23 0.00 0.00 178.00 178.08 3kdy h ILE 361 N 0.82 1.50 -0.41 -3.56 1.08 -1.86 -2.32 117.51 112.76 3kdy h ILE 361 Ca 0.33 -2.73 -0.01 0.00 -0.39 0.00 0.00 64.86 62.06 3kdy h ILE 361 Cb 0.17 2.57 -0.02 0.00 -3.07 0.00 0.00 36.82 36.47 3kdy h ILE 361 CO -0.17 0.80 0.22 0.00 -0.69 0.00 0.00 178.15 178.31 3kdy h ALA 362 N 0.88 0.53 -0.55 1.87 0.00 0.33 -0.46 119.26 121.85 3kdy h ALA 362 Ca -0.06 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 3kdy h ALA 362 Cb 1.61 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 3kdy h ALA 362 CO 0.15 0.05 0.05 0.74 0.00 0.00 0.00 179.25 180.24 3kdy h PHE 363 N 0.53 1.02 0.47 0.00 -1.00 -0.78 -2.23 116.94 114.95 3kdy h PHE 363 Ca 0.14 -0.16 -0.02 0.00 2.81 0.00 0.00 57.97 60.75 3kdy h PHE 363 Cb 0.06 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 39.35 3kdy h PHE 363 CO -0.02 0.91 -0.25 0.00 -1.61 0.00 0.00 178.31 177.34 3kdy h ALA 364 N 0.98 -0.67 -0.96 2.45 0.00 -1.07 -2.06 119.26 117.93 3kdy h ALA 364 Ca 0.16 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3kdy h ALA 364 Cb 0.47 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 3kdy h ALA 364 CO 0.02 -0.88 0.62 0.52 0.00 0.00 0.00 179.25 179.53 3kdy h MET 365 N -0.67 1.27 -0.76 0.00 2.86 -1.10 -0.92 114.93 115.62 3kdy h MET 365 Ca -0.06 -0.08 0.05 0.00 -2.06 0.00 0.00 59.70 57.55 3kdy h MET 365 Cb 0.53 -0.28 -0.05 0.00 0.06 0.00 0.00 31.60 31.86 3kdy h MET 365 CO 0.08 0.85 0.50 -0.44 1.06 0.00 0.00 176.91 178.96 3kdy h ASP 366 N 1.30 0.76 0.57 1.22 5.19 -1.26 -0.73 116.42 123.48 3kdy h ASP 366 Ca 0.35 -0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.60 3kdy h ASP 366 Cb -0.13 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.19 3kdy h ASP 366 CO -0.07 0.51 -0.69 -0.26 -3.12 0.00 0.00 179.24 175.60 3kdy h PHE 367 N 0.87 0.14 -0.33 4.55 0.04 -0.47 -2.71 116.94 119.03 3kdy h PHE 367 Ca 0.32 -0.06 -0.15 0.00 2.80 0.00 0.00 57.97 60.88 3kdy h PHE 367 Cb 0.15 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 3kdy h PHE 367 CO -0.00 0.76 -0.38 0.28 -0.60 0.00 0.00 178.31 178.37 3kdy h VAL 368 N 0.07 1.28 -0.11 -0.55 2.07 -0.33 0.08 116.25 118.76 3kdy h VAL 368 Ca -0.01 -1.56 0.02 0.00 0.82 0.00 0.00 66.70 65.97 3kdy h VAL 368 Cb 1.23 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.42 3kdy h VAL 368 CO 0.10 0.51 -0.01 0.74 0.02 0.00 0.00 177.57 178.92 3kdy h THR 369 N 0.65 0.91 0.14 2.57 2.02 -1.03 0.28 112.91 118.45 3kdy h THR 369 Ca 0.06 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 3kdy h THR 369 Cb 0.94 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 3kdy h THR 369 CO 0.09 0.00 -0.07 0.40 0.37 0.00 0.00 175.52 176.31 3kdy h ILE 370 N 0.02 0.95 -0.54 3.11 2.04 -1.38 -1.50 117.51 120.20 3kdy h ILE 370 Ca 0.05 -0.38 0.07 0.00 1.00 0.00 0.00 64.86 65.60 3kdy h ILE 370 Cb 0.07 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.28 3kdy h ILE 370 CO -0.10 0.09 0.22 0.00 0.00 0.00 0.00 178.15 178.37 3kdy h ALA 371 N 0.47 0.69 -0.36 1.87 0.00 -0.81 -1.91 119.26 119.21 3kdy h ALA 371 Ca -0.02 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3kdy h ALA 371 Cb 0.29 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3kdy h ALA 371 CO 0.03 -0.16 -0.07 -0.07 0.00 0.00 0.00 179.25 178.98 3kdy h LEU 372 N 0.42 0.58 -0.62 0.00 3.38 -0.38 -2.40 115.31 116.29 3kdy h LEU 372 Ca 0.26 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.10 3kdy h LEU 372 Cb 0.26 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 3kdy h LEU 372 CO -0.24 0.70 0.39 0.74 0.09 0.00 0.00 178.44 180.12 3kdy h THR 373 N 0.56 1.11 -0.03 0.22 2.02 -0.48 -1.93 112.91 114.38 3kdy h THR 373 Ca 0.11 -0.27 -0.10 0.00 0.77 0.00 0.00 66.41 66.92 3kdy h THR 373 Cb 0.47 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 3kdy h THR 373 CO 0.02 0.14 -0.44 -0.61 0.37 0.00 0.00 175.52 175.01 3kdy h GLN 374 N 0.79 0.07 -0.85 6.66 5.75 -1.20 -1.11 115.11 125.22 3kdy h GLN 374 Ca 0.24 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.68 3kdy h GLN 374 Cb -0.03 -0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.48 3kdy h GLN 374 CO -0.08 0.50 0.42 1.25 -2.65 0.00 0.00 178.83 178.27 3kdy h LEU 375 N 0.06 1.10 -0.61 -2.39 5.85 -0.88 -1.72 115.31 116.71 3kdy h LEU 375 Ca 0.00 -0.12 -0.15 0.00 0.84 0.00 0.00 57.88 58.45 3kdy h LEU 375 Cb 0.80 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 3kdy h LEU 375 CO 0.06 0.91 -0.52 1.23 -0.34 0.00 0.00 178.44 179.79 3kdy h GLY 376 N 1.21 0.51 0.92 3.75 0.00 -0.83 -2.65 103.07 105.98 3kdy h GLY 376 Ca 0.29 -0.57 0.02 0.00 0.00 0.00 0.00 47.33 47.06 3kdy h GLY 376 CO -0.04 0.52 0.23 -2.08 0.00 0.00 0.00 176.54 175.17 3kdy h VAL 377 N 0.37 1.05 0.20 4.60 2.07 -0.67 -1.08 116.25 122.79 3kdy h VAL 377 Ca 0.01 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 3kdy h VAL 377 Cb 1.03 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3kdy h VAL 377 CO 0.09 0.09 -0.10 0.25 0.02 0.00 0.00 177.57 177.92 3kdy h LEU 378 N 0.47 -0.24 -0.63 2.57 5.85 -1.23 -2.25 115.31 119.84 3kdy h LEU 378 Ca 0.15 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.92 3kdy h LEU 378 Cb 0.00 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 3kdy h LEU 378 CO -0.07 -0.17 0.37 0.00 -0.34 0.00 0.00 178.44 178.23 3kdy h ALA 379 N 0.52 0.83 -0.40 1.25 0.00 -1.32 -1.32 119.26 118.81 3kdy h ALA 379 Ca -0.03 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3kdy h ALA 379 Cb 0.22 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3kdy h ALA 379 CO 0.04 0.08 0.21 1.49 0.00 0.00 0.00 179.25 181.07 3kdy h GLU 380 N 0.70 0.42 0.00 0.00 4.57 -1.07 -0.93 114.58 118.28 3kdy h GLU 380 Ca 0.27 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.36 3kdy h GLU 380 Cb 0.10 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 3kdy h GLU 380 CO -0.14 0.28 -0.28 0.00 -1.18 0.00 0.00 179.01 177.69 3kdy h ARG 381 N 0.43 0.00 -0.23 1.92 2.47 -1.00 -0.89 114.38 117.09 3kdy h ARG 381 Ca 0.17 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.73 3kdy h ARG 381 Cb 0.06 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.37 3kdy h ARG 381 CO -0.10 0.28 -0.50 1.96 0.56 0.00 0.00 179.97 182.16 3kdy h GLN 382 N 0.00 0.63 -0.12 0.04 4.20 -0.44 -1.88 115.11 117.53 3kdy h GLN 382 Ca -0.00 -0.38 -0.02 0.00 0.06 0.00 0.00 58.65 58.31 3kdy h GLN 382 Cb 0.57 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.38 3kdy h GLN 382 CO 0.04 0.99 -0.00 0.82 -0.67 0.00 0.00 178.83 180.00 3kdy h ILE 383 N 0.50 1.26 -0.37 2.54 2.04 -0.58 -2.64 117.51 120.26 3kdy h ILE 383 Ca 0.02 -0.84 0.11 0.00 1.00 0.00 0.00 64.86 65.14 3kdy h ILE 383 Cb 1.05 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 3kdy h ILE 383 CO 0.10 0.24 0.26 -1.13 0.00 0.00 0.00 178.15 177.63 3kdy h ASN 384 N -0.05 0.00 0.61 1.72 -1.24 -1.11 -2.48 115.58 113.03 3kdy h ASN 384 Ca 0.03 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.01 3kdy h ASN 384 Cb 0.38 -0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.43 3kdy h ASN 384 CO 0.01 0.00 -0.29 -0.09 -1.29 0.00 0.00 177.43 175.77 3kdy h ARG 385 N 0.01 -0.79 0.00 6.67 9.65 -0.97 -2.22 114.38 126.72 3kdy h ARG 385 Ca 0.17 0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 59.08 3kdy h ARG 385 Cb 0.69 0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 29.45 3kdy h ARG 385 CO -0.00 -0.48 -0.15 -0.39 2.80 0.00 0.00 179.97 181.75 3kdy h VAL 386 N -1.03 0.61 0.00 0.20 -1.51 -1.37 -2.14 116.25 111.01 3kdy h VAL 386 Ca -0.08 -0.64 0.00 0.00 -1.23 0.00 0.00 66.70 64.74 3kdy h VAL 386 Cb 0.68 1.41 0.00 0.00 -2.13 0.00 0.00 31.29 31.25 3kdy h VAL 386 CO 0.14 0.14 -0.27 0.18 -1.23 0.00 0.00 177.57 176.53 3kdy n LEU 387 N -3.64 0.55 -4.42 4.19 4.77 -0.96 -4.51 117.00 112.98 3kdy n LEU 387 Ca -0.02 0.36 -0.44 0.00 -0.03 0.00 0.00 56.01 55.89 3kdy n LEU 387 Cb 0.27 -0.31 -0.07 0.00 -2.33 0.00 0.00 43.42 40.98 3kdy n LEU 387 CO 0.31 -0.05 0.17 0.21 -1.33 0.00 0.00 177.39 176.69 3kdy s ASN 388 N -3.86 6.18 0.50 -1.43 3.84 -0.82 -1.49 114.94 117.86 3kdy s ASN 388 Ca 0.10 -1.09 0.32 0.00 0.21 0.00 0.00 52.86 52.40 3kdy s ASN 388 Cb 0.15 -2.23 1.43 0.00 -0.55 0.00 0.00 41.25 40.04 3kdy s ASN 388 CO 0.64 -0.75 1.77 0.08 -2.79 0.00 0.00 177.10 176.05 3kdy h ARG 389 N 8.86 0.11 0.00 0.43 0.11 -1.83 1.04 114.38 123.09 3kdy h ARG 389 Ca -0.28 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.79 3kdy h ARG 389 Cb 1.10 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.16 3kdy h ARG 389 CO 0.91 0.08 0.00 0.72 0.10 0.00 0.00 179.97 181.77 3kdy n HIS 390 N -4.33 0.63 -0.41 4.08 8.25 -1.26 -3.79 115.22 118.38 3kdy n HIS 390 Ca 0.27 0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.92 3kdy n HIS 390 Cb 1.19 -0.81 0.00 0.00 1.12 0.00 0.00 29.99 31.49 3kdy n HIS 390 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3kdy n LEU 391 N -2.02 0.53 -0.06 2.41 4.77 0.28 -4.72 117.00 118.19 3kdy n LEU 391 Ca 0.06 -0.54 0.16 0.00 -0.03 0.00 0.00 56.01 55.65 3kdy n LEU 391 Cb 0.38 0.00 0.86 0.00 -2.33 0.00 0.00 43.42 42.33 3kdy n LEU 391 CO 0.28 0.13 1.06 -1.54 -1.33 0.00 0.00 177.39 175.99 3kdy n SER 392 N -0.04 0.19 -3.18 -1.43 3.41 0.28 -4.69 113.62 108.17 3kdy n SER 392 Ca 0.00 -0.91 -0.23 0.00 -0.26 0.00 0.00 58.87 57.47 3kdy n SER 392 Cb 0.10 -0.04 0.04 0.00 -0.26 0.00 0.00 64.21 64.05 3kdy n SER 392 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3kdy n TYR 393 N -0.91 -2.17 0.00 7.33 0.53 -1.26 -3.37 117.16 117.31 3kdy n TYR 393 Ca 0.22 0.63 0.00 0.00 -1.02 0.00 0.00 57.90 57.73 3kdy n TYR 393 Cb 0.16 -4.54 0.00 0.00 -1.03 0.00 0.00 39.34 33.93 3kdy n TYR 393 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3kdy n GLY 394 N -1.62 0.85 3.82 2.72 0.00 -1.26 -5.08 105.19 104.61 3kdy n GLY 394 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 3kdy n GLY 394 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kdy s LEU 395 N 0.00 4.23 0.48 0.99 1.43 -1.22 -5.02 118.68 119.58 3kdy s LEU 395 Ca 0.00 1.51 -0.22 0.00 -1.03 0.00 0.00 54.13 54.39 3kdy s LEU 395 Cb 0.00 -3.90 -0.10 0.00 0.03 0.00 0.00 46.19 42.23 3kdy s LEU 395 CO 0.00 -0.09 0.77 -2.65 0.23 0.00 0.00 176.35 174.62 3kdy n PRO 396 N 0.29 0.89 -1.76 1.29 -0.02 -1.26 -4.57 135.00 129.86 3kdy n PRO 396 Ca 0.01 0.33 -0.42 0.00 -2.02 0.00 0.00 63.50 61.40 3kdy n PRO 396 Cb 0.52 -1.84 -0.03 0.00 -0.02 0.00 0.00 33.50 32.13 3kdy n PRO 396 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3kdy s GLU 397 N -2.02 4.15 -1.73 -0.52 1.03 -1.26 -1.66 118.70 116.68 3kdy s GLU 397 Ca 0.66 2.55 0.00 0.00 0.03 0.00 0.00 54.97 58.22 3kdy s GLU 397 Cb -0.52 -3.41 0.00 0.00 -0.80 0.00 0.00 34.13 29.40 3kdy s GLU 397 CO 0.55 -0.79 0.00 1.19 -1.33 0.00 0.00 175.26 174.88 3kdy n PHE 398 N 5.04 -0.04 -2.41 4.83 3.01 -0.56 -2.83 117.46 124.50 3kdy n PHE 398 Ca 0.17 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.43 3kdy n PHE 398 Cb 0.38 -2.88 -0.01 0.00 -0.01 0.00 0.00 39.48 36.96 3kdy n PHE 398 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3kdy n LEU 399 N -1.90 -1.86 -4.67 4.37 4.77 -0.67 -1.72 117.00 115.32 3kdy n LEU 399 Ca -0.17 0.01 -0.43 0.00 -0.03 0.00 0.00 56.01 55.39 3kdy n LEU 399 Cb 0.55 -2.85 -0.02 0.00 -2.33 0.00 0.00 43.42 38.76 3kdy n LEU 399 CO 0.25 -0.20 0.96 -0.69 -1.33 0.00 0.00 177.39 176.38 3kdy s VAL 400 N -2.99 4.42 0.05 4.08 1.01 -1.13 -4.75 120.40 121.09 3kdy s VAL 400 Ca 0.00 1.72 0.08 0.00 0.00 0.00 0.00 61.98 63.79 3kdy s VAL 400 Cb -0.00 -4.11 -0.22 0.00 0.00 0.00 0.00 36.38 32.04 3kdy s VAL 400 CO 0.00 -0.07 1.01 0.77 0.00 0.00 0.00 175.10 176.81 3kdy h SER 401 N 7.63 0.03 0.00 3.32 4.64 -1.81 -3.45 113.55 123.90 3kdy h SER 401 Ca -0.29 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3kdy h SER 401 Cb 1.12 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3kdy h SER 401 CO 0.92 1.03 0.00 0.61 -0.87 0.00 0.00 176.83 178.53 3kdy n GLY 402 N 1.45 0.66 3.54 -0.77 0.00 -1.26 -5.02 105.19 103.79 3kdy n GLY 402 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 3kdy n GLY 402 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kdy s ASP 403 N -1.00 6.04 1.07 1.61 1.01 -1.26 -5.07 116.67 119.07 3kdy s ASP 403 Ca 0.00 -0.33 -0.14 0.00 0.71 0.00 0.00 52.55 52.79 3kdy s ASP 403 Cb 0.00 -2.13 0.17 0.00 1.01 0.00 0.00 42.92 41.97 3kdy s ASP 403 CO 0.00 -0.19 0.66 -2.65 0.21 0.00 0.00 175.17 173.20 3kdy n PRO 404 N 5.09 -1.47 0.00 8.23 -0.02 -1.26 -1.67 135.00 143.91 3kdy n PRO 404 Ca -0.13 -0.39 0.00 0.00 -2.02 0.00 0.00 63.50 60.96 3kdy n PRO 404 Cb 0.50 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3kdy n PRO 404 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kdy n GLY 405 N 1.23 1.34 0.36 -1.23 0.00 -1.26 -4.14 105.19 101.49 3kdy n GLY 405 Ca 0.05 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.12 3kdy n GLY 405 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kdy h LEU 406 N 0.00 0.72 -8.58 0.99 5.85 -2.00 -3.40 115.31 108.89 3kdy h LEU 406 Ca 0.00 0.01 -0.69 0.00 0.84 0.00 0.00 57.88 58.04 3kdy h LEU 406 Cb 0.00 -0.14 -0.29 0.00 0.37 0.00 0.00 40.66 40.59 3kdy h LEU 406 CO 0.00 0.45 -0.85 -1.00 -0.34 0.00 0.00 178.44 176.70 3kdy s HIS 407 N -5.73 2.52 -0.31 1.25 3.76 -0.67 -5.02 115.29 111.09 3kdy s HIS 407 Ca -0.10 -0.59 0.23 0.00 -0.15 0.00 0.00 55.06 54.45 3kdy s HIS 407 Cb 0.20 -1.62 0.09 0.00 1.11 0.00 0.00 32.58 32.36 3kdy s HIS 407 CO 0.78 -0.13 1.17 0.77 -0.85 0.00 0.00 174.74 176.48 3kdy h SER 408 N 5.96 0.00 0.00 1.40 0.02 -1.89 -3.41 113.55 115.63 3kdy h SER 408 Ca -0.35 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 3kdy h SER 408 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 3kdy h SER 408 CO 0.49 0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.79 3kdy n GLY 409 N 1.18 2.79 1.00 -3.77 0.00 -1.26 -2.07 105.19 103.05 3kdy n GLY 409 Ca 0.01 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.10 3kdy n GLY 409 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kdy n PHE 410 N 8.64 0.48 -0.22 1.61 3.01 -0.70 -4.61 117.46 125.66 3kdy n PHE 410 Ca 0.00 -0.29 0.03 0.00 1.01 0.00 0.00 57.45 58.20 3kdy n PHE 410 Cb 0.00 -0.00 0.13 0.00 -0.01 0.00 0.00 39.48 39.59 3kdy n PHE 410 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kdy h ALA 411 N 3.74 0.71 0.00 4.37 0.00 -1.63 0.60 119.26 127.06 3kdy h ALA 411 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3kdy h ALA 411 Cb 0.88 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3kdy h ALA 411 CO 0.00 -0.39 0.00 0.78 0.00 0.00 0.00 179.25 179.64 3kdy h GLY 412 N 0.15 0.00 2.00 0.00 0.00 -1.82 -3.18 103.07 100.22 3kdy h GLY 412 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 3kdy h GLY 412 CO -0.55 0.00 0.00 0.00 0.00 0.00 0.00 176.54 175.99 3kdy n ALA 413 N -1.98 2.27 0.08 3.60 0.00 0.19 -3.64 120.51 121.03 3kdy n ALA 413 Ca 0.03 -0.02 -0.14 0.00 0.00 0.00 0.00 53.44 53.31 3kdy n ALA 413 Cb 0.40 -1.47 -0.14 0.00 0.00 0.00 0.00 19.45 18.25 3kdy n ALA 413 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3kdy h GLN 414 N 0.00 0.20 -0.73 0.00 4.15 -1.49 -3.38 115.11 113.87 3kdy h GLN 414 Ca 0.00 -0.34 0.08 0.00 0.77 0.00 0.00 58.65 59.16 3kdy h GLN 414 Cb 0.72 0.13 -0.07 0.00 0.21 0.00 0.00 27.48 28.48 3kdy h GLN 414 CO 0.00 1.12 0.40 1.88 -1.93 0.00 0.00 178.83 180.30 3kdy h TYR 415 N 0.05 0.73 -0.46 3.99 0.05 -1.73 0.10 116.97 119.70 3kdy h TYR 415 Ca -0.14 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.66 3kdy h TYR 415 Cb 1.94 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 39.44 3kdy h TYR 415 CO 0.05 0.31 0.24 -1.00 -1.05 0.00 0.00 178.16 176.70 3kdy h PRO 416 N 0.70 0.63 -0.15 4.88 0.13 -1.78 0.78 132.00 137.19 3kdy h PRO 416 Ca 0.34 -0.07 -0.13 0.00 -0.87 0.00 0.00 66.00 65.28 3kdy h PRO 416 Cb 0.29 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.29 3kdy h PRO 416 CO -0.23 0.48 -0.40 0.00 -0.23 0.00 0.00 178.00 177.63 3kdy h ALA 417 N 1.62 0.26 -0.52 -0.56 0.00 -1.33 -2.38 119.26 116.35 3kdy h ALA 417 Ca 0.16 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 3kdy h ALA 417 Cb 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3kdy h ALA 417 CO -0.02 0.35 0.04 1.15 0.00 0.00 0.00 179.25 180.77 3kdy h THR 418 N 0.18 1.26 -0.07 0.00 2.02 -0.34 -2.63 112.91 113.33 3kdy h THR 418 Ca -0.01 -1.02 -0.03 0.00 0.77 0.00 0.00 66.41 66.12 3kdy h THR 418 Cb 1.01 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 3kdy h THR 418 CO 0.09 0.36 -0.11 0.00 0.37 0.00 0.00 175.52 176.23 3kdy h ALA 419 N 0.96 1.70 -0.24 6.16 0.00 0.55 -2.96 119.26 125.43 3kdy h ALA 419 Ca 0.15 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 3kdy h ALA 419 Cb 0.47 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3kdy h ALA 419 CO 0.02 0.22 -0.43 -0.07 0.00 0.00 0.00 179.25 178.99 3kdy h LEU 420 N 0.09 0.79 -0.89 0.00 3.38 -1.06 -2.30 115.31 115.32 3kdy h LEU 420 Ca 0.02 -0.54 0.10 0.00 0.09 0.00 0.00 57.88 57.55 3kdy h LEU 420 Cb 0.26 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 40.71 3kdy h LEU 420 CO 0.02 1.17 0.53 0.58 0.09 0.00 0.00 178.44 180.83 3kdy h VAL 421 N 0.43 0.93 -0.39 1.22 2.07 -1.33 0.11 116.25 119.29 3kdy h VAL 421 Ca 0.01 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 3kdy h VAL 421 Cb 1.03 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3kdy h VAL 421 CO 0.10 0.16 0.07 0.00 0.02 0.00 0.00 177.57 177.91 3kdy h ALA 422 N 1.48 0.51 -0.18 1.67 0.00 -1.50 -2.36 119.26 118.87 3kdy h ALA 422 Ca 0.43 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3kdy h ALA 422 Cb 0.38 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3kdy h ALA 422 CO -0.24 0.22 0.09 1.49 0.00 0.00 0.00 179.25 180.80 3kdy h GLU 423 N 0.49 0.27 -0.19 0.00 4.81 -0.72 -2.12 114.58 117.11 3kdy h GLU 423 Ca 0.12 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.36 3kdy h GLU 423 Cb 0.36 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 3kdy h GLU 423 CO 0.01 0.30 0.15 -0.91 -0.73 0.00 0.00 179.01 177.83 3kdy h ASN 424 N 0.17 0.00 1.26 1.04 2.35 -0.78 -0.74 115.58 118.88 3kdy h ASN 424 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3kdy h ASN 424 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 3kdy h ASN 424 CO -0.01 0.00 0.00 0.54 -1.65 0.00 0.00 177.43 176.31 3kdy n ARG 425 N -4.30 0.22 -0.01 0.81 1.74 -0.82 -2.97 116.66 111.34 3kdy n ARG 425 Ca 0.02 0.24 0.14 0.00 -0.77 0.00 0.00 57.85 57.48 3kdy n ARG 425 Cb 0.28 -1.79 0.58 0.00 -1.02 0.00 0.00 32.46 30.52 3kdy n ARG 425 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3kdy n THR 426 N -2.19 0.02 -3.21 0.55 -2.24 -0.28 -4.76 114.28 102.17 3kdy n THR 426 Ca 0.05 -0.21 -0.43 0.00 -2.27 0.00 0.00 64.05 61.18 3kdy n THR 426 Cb 0.38 0.31 -0.07 0.00 -2.10 0.00 0.00 70.33 68.84 3kdy n THR 426 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3kdy s ILE 427 N -1.98 4.95 0.16 2.28 1.01 -1.16 -5.05 121.20 121.41 3kdy s ILE 427 Ca 0.39 -0.22 -0.03 0.00 0.00 0.00 0.00 60.65 60.79 3kdy s ILE 427 Cb 0.21 -4.15 -0.05 0.00 0.01 0.00 0.00 42.46 38.48 3kdy s ILE 427 CO 0.33 -0.56 0.37 -0.83 0.00 0.00 0.00 174.94 174.25 3kdy s GLY 428 N 2.06 2.05 0.33 6.18 0.00 -1.26 -4.99 107.32 111.68 3kdy s GLY 428 Ca 0.16 -0.69 -0.27 0.00 0.00 0.00 0.00 44.72 43.92 3kdy s GLY 428 CO 0.15 -0.63 1.06 -1.55 0.00 0.00 0.00 173.10 172.13 3kdy n PRO 429 N -0.22 1.51 -0.00 2.90 -0.04 -1.26 -4.92 135.00 132.97 3kdy n PRO 429 Ca -0.04 0.53 0.07 0.00 -0.04 0.00 0.00 63.50 64.02 3kdy n PRO 429 Cb 0.52 -1.99 -0.09 0.00 -0.04 0.00 0.00 33.50 31.90 3kdy n PRO 429 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kdy n ALA 430 N 0.07 3.08 0.51 0.55 0.00 -1.26 -4.51 120.51 118.95 3kdy n ALA 430 Ca 0.08 -0.35 0.07 0.00 0.00 0.00 0.00 53.44 53.24 3kdy n ALA 430 Cb 0.35 -0.47 0.30 0.00 0.00 0.00 0.00 19.45 19.63 3kdy n ALA 430 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kdy n SER 431 N -1.66 0.00 -0.64 0.00 3.41 -1.25 -1.66 113.62 111.82 3kdy n SER 431 Ca -0.00 0.38 0.06 0.00 -0.26 0.00 0.00 58.87 59.05 3kdy n SER 431 Cb 0.28 -0.44 0.14 0.00 -0.26 0.00 0.00 64.21 63.94 3kdy n SER 431 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3kdy n THR 432 N -1.44 0.80 -1.08 6.66 -2.24 -1.26 -4.66 114.28 111.07 3kdy n THR 432 Ca 0.04 -0.90 -0.09 0.00 -2.27 0.00 0.00 64.05 60.83 3kdy n THR 432 Cb 0.14 0.65 0.29 0.00 -2.10 0.00 0.00 70.33 69.31 3kdy n THR 432 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kdy n GLN 433 N 0.59 3.50 -1.56 -0.78 1.13 -0.66 -5.02 117.38 114.58 3kdy n GLN 433 Ca 0.11 -3.09 -0.44 0.00 -1.94 0.00 0.00 57.00 51.64 3kdy n GLN 433 Cb 0.41 -2.21 -0.01 0.00 0.11 0.00 0.00 30.24 28.53 3kdy n GLN 433 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3kdy n SER 434 N -0.32 0.83 -3.90 1.08 2.88 -1.26 -5.00 113.62 107.93 3kdy n SER 434 Ca 0.44 1.13 -0.23 0.00 -1.33 0.00 0.00 58.87 58.88 3kdy n SER 434 Cb 1.44 -1.25 -0.17 0.00 -0.75 0.00 0.00 64.21 63.49 3kdy n SER 434 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3kdy s VAL 435 N -1.12 0.73 0.11 2.46 1.01 -1.26 -4.97 120.40 117.36 3kdy s VAL 435 Ca 0.60 -0.18 -0.31 0.00 0.00 0.00 0.00 61.98 62.09 3kdy s VAL 435 Cb -0.70 -0.76 -0.08 0.00 0.00 0.00 0.00 36.38 34.84 3kdy s VAL 435 CO 0.59 0.29 1.47 -2.16 0.00 0.00 0.00 175.10 175.29 3kdy s PRO 436 N 1.26 4.27 0.23 2.72 0.04 -1.26 -4.83 135.00 137.43 3kdy s PRO 436 Ca -0.05 2.16 -0.02 0.00 0.04 0.00 0.00 61.00 63.14 3kdy s PRO 436 Cb -0.14 -3.31 -0.03 0.00 0.04 0.00 0.00 34.50 31.06 3kdy s PRO 436 CO -0.02 -0.53 0.22 -1.54 0.04 0.00 0.00 177.00 175.17 3kdy s SER 437 N 1.37 0.33 -0.95 6.66 1.04 -1.11 -4.84 113.70 116.20 3kdy s SER 437 Ca 0.67 -1.37 -0.03 0.00 0.48 0.00 0.00 55.95 55.70 3kdy s SER 437 Cb -0.38 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.15 3kdy s SER 437 CO 0.30 -0.94 0.82 -3.20 0.98 0.00 0.00 173.24 171.20 3kdy n ASN 438 N -0.50 -4.64 -1.97 7.02 5.15 -1.26 -2.37 115.26 116.70 3kdy n ASN 438 Ca 0.02 -0.59 -0.19 0.00 -0.60 0.00 0.00 54.58 53.22 3kdy n ASN 438 Cb 0.65 -4.54 -0.03 0.00 -0.53 0.00 0.00 39.78 35.32 3kdy n ASN 438 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kdy n GLY 439 N -1.21 0.29 3.23 8.20 0.00 -1.26 -1.60 105.19 112.83 3kdy n GLY 439 Ca -0.13 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3kdy n GLY 439 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kdy n ASP 440 N -1.49 0.00 -0.20 1.61 8.00 -1.13 -4.85 116.55 118.50 3kdy n ASP 440 Ca -0.22 0.00 0.22 0.00 0.71 0.00 0.00 54.79 55.51 3kdy n ASP 440 Cb 0.66 -0.21 0.60 0.00 -0.02 0.00 0.00 41.12 42.15 3kdy n ASP 440 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 3kdy h ASN 441 N 0.00 0.24 -2.55 -2.24 -1.24 -1.32 -1.74 115.58 106.73 3kdy h ASN 441 Ca 0.00 0.03 -0.72 0.00 0.71 0.00 0.00 56.30 56.31 3kdy h ASN 441 Cb 0.00 -0.02 -0.34 0.00 0.73 0.00 0.00 38.32 38.70 3kdy h ASN 441 CO 0.00 0.09 0.25 0.00 -1.29 0.00 0.00 177.43 176.49 3kdy n GLN 442 N -4.42 3.87 0.22 6.67 6.02 -1.00 -4.82 117.38 123.92 3kdy n GLN 442 Ca 0.18 -4.64 0.14 0.00 -0.01 0.00 0.00 57.00 52.68 3kdy n GLN 442 Cb 0.78 -2.40 0.45 0.00 1.02 0.00 0.00 30.24 30.09 3kdy n GLN 442 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 3kdy h ASP 443 N 4.68 0.00 -3.10 1.08 3.04 -1.57 -2.93 116.42 117.63 3kdy h ASP 443 Ca 0.23 0.00 -0.45 0.00 -3.24 0.00 0.00 57.03 53.57 3kdy h ASP 443 Cb 0.59 0.00 -0.41 0.00 -1.04 0.00 0.00 39.33 38.47 3kdy h ASP 443 CO 1.12 0.00 -0.75 -0.69 -2.04 0.00 0.00 179.24 176.88 3kdy s VAL 444 N -3.41 -0.06 0.46 4.15 1.01 -1.26 -4.43 120.40 116.85 3kdy s VAL 444 Ca 0.05 -0.09 0.04 0.00 0.00 0.00 0.00 61.98 61.98 3kdy s VAL 444 Cb 0.08 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 3kdy s VAL 444 CO 0.58 -0.21 0.05 0.68 0.00 0.00 0.00 175.10 176.19 3kdy s VAL 445 N 2.13 1.65 -0.17 2.92 -7.23 -1.26 -5.08 120.40 113.35 3kdy s VAL 445 Ca 0.02 -1.94 0.14 0.00 -1.81 0.00 0.00 61.98 58.39 3kdy s VAL 445 Cb -0.15 -2.59 -0.21 0.00 0.56 0.00 0.00 36.38 33.99 3kdy s VAL 445 CO -0.08 0.00 0.04 -1.54 -0.31 0.00 0.00 175.10 173.21 3kdy n SER 446 N -1.17 0.88 -2.52 4.85 3.41 -1.19 -4.51 113.62 113.38 3kdy n SER 446 Ca -0.11 -0.01 -0.20 0.00 -0.26 0.00 0.00 58.87 58.29 3kdy n SER 446 Cb 0.67 0.81 0.01 0.00 -0.26 0.00 0.00 64.21 65.44 3kdy n SER 446 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 3kdy n MET 447 N -2.68 -3.15 -0.31 4.33 1.56 0.47 -3.95 117.12 113.39 3kdy n MET 447 Ca -0.29 0.89 -0.02 0.00 -0.27 0.00 0.00 57.70 58.01 3kdy n MET 447 Cb 1.05 -5.54 0.15 0.00 2.15 0.00 0.00 33.22 31.02 3kdy n MET 447 CO 0.00 0.00 0.00 0.78 -0.73 0.00 0.00 175.97 176.02 3kdy h GLY 448 N -0.69 1.27 1.55 -5.12 0.00 -1.83 -2.49 103.07 95.76 3kdy h GLY 448 Ca -0.48 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.32 3kdy h GLY 448 CO 0.53 0.50 0.21 -2.00 0.00 0.00 0.00 176.54 175.79 3kdy h LEU 449 N 1.21 0.52 -0.64 3.11 5.85 -1.90 -1.20 115.31 122.27 3kdy h LEU 449 Ca 0.32 -0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.89 3kdy h LEU 449 Cb -0.07 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 3kdy h LEU 449 CO -0.06 0.45 -0.14 0.40 -0.34 0.00 0.00 178.44 178.75 3kdy h ILE 450 N 0.59 1.27 -0.45 4.05 2.04 -1.77 -2.34 117.51 120.90 3kdy h ILE 450 Ca 0.15 -1.27 -0.04 0.00 1.00 0.00 0.00 64.86 64.70 3kdy h ILE 450 Cb 0.06 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3kdy h ILE 450 CO -0.02 0.44 0.14 0.28 0.00 0.00 0.00 178.15 178.99 3kdy h SER 451 N 0.82 0.65 -0.91 1.72 0.02 -1.16 -1.72 113.55 112.97 3kdy h SER 451 Ca 0.13 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 3kdy h SER 451 Cb 0.68 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.01 3kdy h SER 451 CO 0.05 0.69 0.51 0.00 -1.14 0.00 0.00 176.83 176.94 3kdy h ALA 452 N 0.99 1.16 -0.17 3.77 0.00 -1.14 -1.76 119.26 122.10 3kdy h ALA 452 Ca 0.14 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 3kdy h ALA 452 Cb 0.27 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3kdy h ALA 452 CO -0.00 0.65 -0.54 0.00 0.00 0.00 0.00 179.25 179.35 3kdy h ARG 453 N 1.26 0.51 -0.13 0.00 3.08 -1.27 -1.62 114.38 116.22 3kdy h ARG 453 Ca 0.32 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kdy h ARG 453 Cb -0.00 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3kdy h ARG 453 CO -0.05 0.92 0.08 -0.91 -1.07 0.00 0.00 179.97 178.94 3kdy h ASN 454 N 0.40 0.15 -0.97 7.04 2.35 -1.00 -1.23 115.58 122.32 3kdy h ASN 454 Ca 0.01 -0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.78 3kdy h ASN 454 Cb 1.07 -0.04 -0.05 0.00 0.05 0.00 0.00 38.32 39.35 3kdy h ASN 454 CO 0.10 0.12 0.64 0.00 -1.65 0.00 0.00 177.43 176.63 3kdy h ALA 455 N 1.04 1.36 -0.64 -0.83 0.00 -1.19 -1.56 119.26 117.44 3kdy h ALA 455 Ca 0.05 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3kdy h ALA 455 Cb -0.01 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 3kdy h ALA 455 CO -0.01 0.55 0.21 -0.09 0.00 0.00 0.00 179.25 179.92 3kdy h ARG 456 N 1.24 0.96 0.07 0.00 2.43 -0.90 -0.07 114.38 118.11 3kdy h ARG 456 Ca 0.38 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 59.37 3kdy h ARG 456 Cb -0.02 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.37 3kdy h ARG 456 CO -0.11 0.81 -0.04 -0.09 -1.51 0.00 0.00 179.97 179.04 3kdy h ARG 457 N 0.93 -0.10 -0.92 0.20 2.43 -0.42 0.98 114.38 117.49 3kdy h ARG 457 Ca 0.21 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.42 3kdy h ARG 457 Cb 0.24 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.76 3kdy h ARG 457 CO -0.01 0.24 0.60 0.28 -1.51 0.00 0.00 179.97 179.57 3kdy h VAL 458 N -0.45 1.17 0.21 0.20 2.07 -1.23 0.29 116.25 118.51 3kdy h VAL 458 Ca -0.01 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 3kdy h VAL 458 Cb 0.39 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 3kdy h VAL 458 CO 0.02 0.21 -0.16 0.25 0.02 0.00 0.00 177.57 177.91 3kdy h LEU 459 N 1.18 -0.42 -0.33 2.57 5.85 -0.89 -0.42 115.31 122.85 3kdy h LEU 459 Ca 0.36 0.03 0.04 0.00 0.84 0.00 0.00 57.88 59.16 3kdy h LEU 459 Cb -0.02 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 3kdy h LEU 459 CO -0.11 -0.25 0.11 -1.28 -0.34 0.00 0.00 178.44 176.56 3kdy h SER 460 N -0.38 0.11 -1.00 1.25 0.87 -0.09 -2.20 113.55 112.10 3kdy h SER 460 Ca -0.01 0.04 0.07 0.00 -1.23 0.00 0.00 61.79 60.66 3kdy h SER 460 Cb 0.34 0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 62.26 3kdy h SER 460 CO -0.01 0.10 0.65 0.78 -0.53 0.00 0.00 176.83 177.81 3kdy h ASN 461 N 0.24 1.04 -0.27 6.23 2.35 -0.25 -2.18 115.58 122.74 3kdy h ASN 461 Ca 0.15 0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.92 3kdy h ASN 461 Cb 0.13 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 3kdy h ASN 461 CO -0.16 0.66 0.18 0.78 -1.65 0.00 0.00 177.43 177.24 3kdy h ASN 462 N 1.17 0.27 -0.71 5.81 2.35 -0.43 -1.72 115.58 122.32 3kdy h ASN 462 Ca 0.44 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 56.17 3kdy h ASN 462 Cb 0.18 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 3kdy h ASN 462 CO -0.18 0.19 0.40 0.78 -1.65 0.00 0.00 177.43 176.98 3kdy h ASN 463 N 0.32 0.89 -0.39 5.81 2.35 -1.24 0.18 115.58 123.49 3kdy h ASN 463 Ca 0.10 -0.09 -0.09 0.00 -0.55 0.00 0.00 56.30 55.68 3kdy h ASN 463 Cb 0.02 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 3kdy h ASN 463 CO -0.02 0.72 -0.06 0.11 -1.65 0.00 0.00 177.43 176.53 3kdy h LYS 464 N 0.98 0.82 -0.25 0.81 1.79 -1.37 0.95 116.57 120.30 3kdy h LYS 464 Ca 0.25 -0.25 -0.08 0.00 -2.18 0.00 0.00 60.65 58.39 3kdy h LYS 464 Cb 0.02 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.59 3kdy h LYS 464 CO -0.04 0.86 -0.16 0.82 -1.08 0.00 0.00 179.45 179.85 3kdy h ILE 465 N 0.75 1.31 0.00 1.86 2.04 -1.05 -2.76 117.51 119.65 3kdy h ILE 465 Ca 0.13 -1.27 -0.04 0.00 1.00 0.00 0.00 64.86 64.69 3kdy h ILE 465 Cb 0.54 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 3kdy h ILE 465 CO 0.03 0.40 -0.19 -0.07 0.00 0.00 0.00 178.15 178.31 3kdy h LEU 466 N 0.27 0.00 -0.42 1.44 3.38 -0.47 -2.44 115.31 117.07 3kdy h LEU 466 Ca 0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3kdy h LEU 466 Cb 0.68 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3kdy h LEU 466 CO 0.04 0.19 0.12 0.00 0.09 0.00 0.00 178.44 178.89 3kdy h ALA 467 N 1.81 0.55 -0.31 1.53 0.00 -0.54 -0.22 119.26 122.09 3kdy h ALA 467 Ca -0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 3kdy h ALA 467 Cb 0.45 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3kdy h ALA 467 CO 0.02 0.21 -0.16 0.28 0.00 0.00 0.00 179.25 179.61 3kdy h VAL 468 N 0.54 1.25 -0.31 0.00 2.07 -1.21 -2.08 116.25 116.50 3kdy h VAL 468 Ca 0.13 -1.13 -0.15 0.00 0.82 0.00 0.00 66.70 66.37 3kdy h VAL 468 Cb 0.28 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3kdy h VAL 468 CO -0.00 0.37 -0.42 -0.08 0.02 0.00 0.00 177.57 177.46 3kdy h GLU 469 N 0.50 0.78 -0.16 1.57 4.81 -1.12 -0.63 114.58 120.32 3kdy h GLU 469 Ca 0.09 -0.42 -0.03 0.00 -0.13 0.00 0.00 59.36 58.87 3kdy h GLU 469 Cb 0.57 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 3kdy h GLU 469 CO 0.04 1.04 -0.03 1.88 -0.73 0.00 0.00 179.01 181.21 3kdy h TYR 470 N 0.63 0.34 -0.45 0.92 -1.99 -0.88 -0.82 116.97 114.73 3kdy h TYR 470 Ca 0.05 -0.07 -0.01 0.00 2.00 0.00 0.00 58.73 60.69 3kdy h TYR 470 Cb 0.98 -0.08 -0.02 0.00 2.00 0.00 0.00 36.73 39.60 3kdy h TYR 470 CO 0.05 0.57 0.22 -0.07 -0.00 0.00 0.00 178.16 178.94 3kdy h LEU 471 N 0.01 0.58 -0.18 3.88 3.38 -1.38 -1.66 115.31 119.95 3kdy h LEU 471 Ca 0.04 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.92 3kdy h LEU 471 Cb 0.46 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3kdy h LEU 471 CO 0.01 0.53 0.01 0.00 0.09 0.00 0.00 178.44 179.09 3kdy h ALA 472 N 1.07 0.16 0.25 1.53 0.00 -1.06 -0.39 119.26 120.81 3kdy h ALA 472 Ca 0.15 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3kdy h ALA 472 Cb 0.10 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3kdy h ALA 472 CO -0.02 -0.43 -0.53 0.00 0.00 0.00 0.00 179.25 178.27 3kdy h ALA 473 N 1.14 -1.06 -0.65 0.00 0.00 -0.90 0.28 119.26 118.07 3kdy h ALA 473 Ca 0.08 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 54.99 3kdy h ALA 473 Cb 0.09 0.85 -0.10 0.00 0.00 0.00 0.00 17.79 18.64 3kdy h ALA 473 CO -0.13 -1.15 0.11 0.00 0.00 0.00 0.00 179.25 178.07 3kdy h ALA 474 N -0.65 0.76 -0.38 0.00 0.00 -1.15 0.93 119.26 118.77 3kdy h ALA 474 Ca -0.03 0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.08 3kdy h ALA 474 Cb 0.81 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 3kdy h ALA 474 CO -0.22 -0.34 0.16 0.37 0.00 0.00 0.00 179.25 179.22 3kdy h GLN 475 N 0.22 0.33 -0.93 0.00 5.75 -0.51 -1.63 115.11 118.33 3kdy h GLN 475 Ca 0.35 -0.02 0.10 0.00 -0.15 0.00 0.00 58.65 58.93 3kdy h GLN 475 Cb 0.56 -0.07 -0.07 0.00 1.07 0.00 0.00 27.48 28.97 3kdy h GLN 475 CO -0.48 0.22 0.60 0.00 -2.65 0.00 0.00 178.83 176.52 3kdy h ALA 476 N 1.22 1.59 -0.48 3.38 0.00 0.18 0.09 119.26 125.24 3kdy h ALA 476 Ca 0.17 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3kdy h ALA 476 Cb 0.11 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3kdy h ALA 476 CO -0.14 0.23 0.23 0.28 0.00 0.00 0.00 179.25 179.85 3kdy h VAL 477 N 0.94 1.19 -0.05 0.00 2.07 -0.07 -1.45 116.25 118.88 3kdy h VAL 477 Ca 0.43 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 3kdy h VAL 477 Cb 0.39 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3kdy h VAL 477 CO -0.19 0.21 -0.01 0.44 0.02 0.00 0.00 177.57 178.03 3kdy h ASP 478 N 0.63 0.10 -0.34 0.57 3.32 -0.70 0.47 116.42 120.46 3kdy h ASP 478 Ca 0.17 -0.38 0.07 0.00 0.02 0.00 0.00 57.03 56.91 3kdy h ASP 478 Cb 0.12 -0.03 -0.07 0.00 0.22 0.00 0.00 39.33 39.57 3kdy h ASP 478 CO -0.02 0.45 -0.13 0.40 -1.72 0.00 0.00 179.24 178.22 3kdy h ILE 479 N -0.26 0.56 0.00 0.35 1.08 -0.94 -0.98 117.51 117.32 3kdy h ILE 479 Ca 0.01 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.48 3kdy h ILE 479 Cb 0.41 0.56 0.00 0.00 -3.07 0.00 0.00 36.82 34.73 3kdy h ILE 479 CO 0.01 0.00 0.00 0.77 -0.69 0.00 0.00 178.15 178.24 3kdy h SER 480 N -0.06 0.00 -5.93 1.72 4.64 -1.28 -3.47 113.55 109.17 3kdy h SER 480 Ca 0.17 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 61.09 3kdy h SER 480 Cb 0.32 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 62.52 3kdy h SER 480 CO -0.39 0.00 -0.72 0.61 -0.87 0.00 0.00 176.83 175.46 3kdy n GLY 481 N 0.96 -0.49 1.55 -0.77 0.00 0.11 -4.91 105.19 101.65 3kdy n GLY 481 Ca 0.04 0.21 -0.12 0.00 0.00 0.00 0.00 46.02 46.15 3kdy n GLY 481 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kdy n ARG 482 N -4.76 2.05 -0.17 1.61 1.74 -0.95 -4.68 116.66 111.50 3kdy n ARG 482 Ca -0.05 -3.19 -0.10 0.00 -0.77 0.00 0.00 57.85 53.74 3kdy n ARG 482 Cb 0.58 -1.96 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 3kdy n ARG 482 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3kdy h PHE 483 N 1.09 0.99 0.00 -1.55 3.57 -1.91 -2.21 116.94 116.92 3kdy h PHE 483 Ca 0.36 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.68 3kdy h PHE 483 Cb 1.96 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 40.45 3kdy h PHE 483 CO 1.22 0.93 0.00 -0.25 -2.23 0.00 0.00 178.31 177.98 3kdy n ASP 484 N -4.29 0.37 0.00 0.41 8.00 -1.26 -1.75 116.55 118.03 3kdy n ASP 484 Ca 0.01 0.60 0.11 0.00 0.71 0.00 0.00 54.79 56.22 3kdy n ASP 484 Cb 0.34 -0.67 0.06 0.00 -0.02 0.00 0.00 41.12 40.82 3kdy n ASP 484 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kdy n GLY 485 N -0.20 -1.12 3.75 0.44 0.00 -0.85 -4.93 105.19 102.28 3kdy n GLY 485 Ca 0.02 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 3kdy n GLY 485 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kdy s LEU 486 N -3.01 3.57 1.05 0.99 1.43 -0.71 -1.93 118.68 120.07 3kdy s LEU 486 Ca 0.09 2.34 -0.17 0.00 -1.03 0.00 0.00 54.13 55.37 3kdy s LEU 486 Cb 0.17 -4.59 0.23 0.00 0.03 0.00 0.00 46.19 42.02 3kdy s LEU 486 CO 0.79 -1.73 1.23 -0.94 0.23 0.00 0.00 176.35 175.92 3kdy s SER 487 N -1.78 2.32 0.13 2.29 1.04 -1.26 -4.66 113.70 111.78 3kdy s SER 487 Ca 0.76 0.46 -0.18 0.00 0.48 0.00 0.00 55.95 57.47 3kdy s SER 487 Cb -0.29 -0.63 -0.03 0.00 0.10 0.00 0.00 66.02 65.17 3kdy s SER 487 CO 0.36 -3.24 1.78 -0.65 0.98 0.00 0.00 173.24 172.47 3kdy h PRO 488 N -1.98 0.40 -0.38 4.02 0.11 -1.70 -0.12 132.00 132.34 3kdy h PRO 488 Ca -0.45 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.47 3kdy h PRO 488 Cb 1.27 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3kdy h PRO 488 CO 0.39 0.29 -0.39 0.00 -0.21 0.00 0.00 178.00 178.07 3kdy h ALA 489 N 1.09 0.58 -0.54 -0.75 0.00 -1.84 -2.92 119.26 114.88 3kdy h ALA 489 Ca 0.11 -0.46 0.03 0.00 0.00 0.00 0.00 54.91 54.60 3kdy h ALA 489 Cb -0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3kdy h ALA 489 CO -0.02 0.68 0.31 0.00 0.00 0.00 0.00 179.25 180.21 3kdy h ALA 490 N 0.79 0.70 -0.96 0.00 0.00 -1.70 -1.07 119.26 117.02 3kdy h ALA 490 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3kdy h ALA 490 Cb 0.98 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 3kdy h ALA 490 CO 0.10 -0.01 0.63 0.87 0.00 0.00 0.00 179.25 180.84 3kdy h LYS 491 N 0.60 1.23 -0.19 0.00 1.57 -0.97 0.70 116.57 119.50 3kdy h LYS 491 Ca 0.23 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3kdy h LYS 491 Cb 0.07 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 3kdy h LYS 491 CO -0.12 0.81 0.06 0.00 -0.57 0.00 0.00 179.45 179.63 3kdy h ALA 492 N 1.37 0.25 0.11 3.86 0.00 -1.21 -0.77 119.26 122.87 3kdy h ALA 492 Ca 0.36 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.15 3kdy h ALA 492 Cb -0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3kdy h ALA 492 CO -0.09 -0.13 -0.13 1.15 0.00 0.00 0.00 179.25 180.05 3kdy h THR 493 N 0.14 0.70 -0.12 0.00 2.02 -0.78 0.13 112.91 115.01 3kdy h THR 493 Ca 0.06 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.29 3kdy h THR 493 Cb 0.22 0.70 -0.05 0.00 -1.74 0.00 0.00 68.15 67.28 3kdy h THR 493 CO -0.00 0.00 -0.21 0.22 0.37 0.00 0.00 175.52 175.89 3kdy h TYR 494 N -0.28 -0.56 -0.61 3.16 3.20 -0.77 -1.76 116.97 119.36 3kdy h TYR 494 Ca 0.01 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 3kdy h TYR 494 Cb 0.28 0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.78 3kdy h TYR 494 CO -0.14 -0.29 0.25 0.93 -1.64 0.00 0.00 178.16 177.27 3kdy h GLU 495 N -0.28 0.88 -0.48 1.82 5.08 -0.97 0.11 114.58 120.75 3kdy h GLU 495 Ca 0.10 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3kdy h GLU 495 Cb 0.42 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3kdy h GLU 495 CO -0.28 0.71 0.32 0.00 -1.00 0.00 0.00 179.01 178.76 3kdy h ALA 496 N 1.41 1.67 0.10 3.43 0.00 -0.06 0.01 119.26 125.82 3kdy h ALA 496 Ca 0.21 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 3kdy h ALA 496 Cb 0.15 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.77 3kdy h ALA 496 CO -0.02 0.30 -0.77 0.28 0.00 0.00 0.00 179.25 179.04 3kdy h VAL 497 N 0.64 1.46 0.00 0.00 2.07 -0.56 -3.32 116.25 116.53 3kdy h VAL 497 Ca 0.18 -2.46 -0.01 0.00 0.82 0.00 0.00 66.70 65.23 3kdy h VAL 497 Cb -0.05 3.11 -0.00 0.00 -1.52 0.00 0.00 31.29 32.83 3kdy h VAL 497 CO -0.04 0.67 -0.04 0.03 0.02 0.00 0.00 177.57 178.21 3kdy h ARG 498 N -0.53 0.00 0.00 1.57 2.47 -0.54 0.19 114.38 117.54 3kdy h ARG 498 Ca -0.15 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.46 3kdy h ARG 498 Cb 1.51 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.81 3kdy h ARG 498 CO 0.08 0.04 -0.51 0.00 0.56 0.00 0.00 179.97 180.14 3kdy h ARG 499 N 0.00 0.00 0.08 0.04 3.08 -1.10 -3.29 114.38 113.19 3kdy h ARG 499 Ca -0.00 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.70 3kdy h ARG 499 Cb 0.10 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 3kdy h ARG 499 CO 0.01 0.51 -1.92 1.28 -1.07 0.00 0.00 179.97 178.78 3kdy n LEU 500 N -3.81 2.48 -3.93 3.04 4.77 -0.23 -4.93 117.00 114.40 3kdy n LEU 500 Ca -0.01 0.22 -0.21 0.00 -0.03 0.00 0.00 56.01 55.98 3kdy n LEU 500 Cb 0.55 -1.05 -0.16 0.00 -2.33 0.00 0.00 43.42 40.42 3kdy n LEU 500 CO 0.40 0.73 -0.42 -0.69 -1.33 0.00 0.00 177.39 176.08 3kdy s VAL 501 N -2.51 0.65 0.81 4.08 1.01 0.51 -5.05 120.40 119.89 3kdy s VAL 501 Ca -0.26 -0.20 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 3kdy s VAL 501 Cb 0.07 -0.64 0.08 0.00 0.00 0.00 0.00 36.38 35.89 3kdy s VAL 501 CO 0.70 0.24 1.09 -2.16 0.00 0.00 0.00 175.10 174.98 3kdy s PRO 502 N 0.77 2.00 0.54 2.72 0.04 -1.26 -3.91 135.00 135.91 3kdy s PRO 502 Ca -0.11 0.71 -0.22 0.00 0.04 0.00 0.00 61.00 61.42 3kdy s PRO 502 Cb -0.14 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 3kdy s PRO 502 CO 0.01 -1.70 1.34 -2.37 0.04 0.00 0.00 177.00 174.32 3kdy n THR 503 N -3.50 3.78 -2.76 1.26 5.66 -1.26 -4.92 114.28 112.53 3kdy n THR 503 Ca 0.07 -0.50 -0.42 0.00 -3.05 0.00 0.00 64.05 60.15 3kdy n THR 503 Cb 0.56 -1.65 -0.04 0.00 -1.55 0.00 0.00 70.33 67.65 3kdy n THR 503 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 3kdy s LEU 504 N -3.32 3.96 -0.05 1.09 2.96 -1.26 -4.88 118.68 117.18 3kdy s LEU 504 Ca 0.71 -0.65 -0.02 0.00 -0.22 0.00 0.00 54.13 53.95 3kdy s LEU 504 Cb -0.42 -2.59 -0.01 0.00 0.50 0.00 0.00 46.19 43.67 3kdy s LEU 504 CO 0.49 -1.50 -0.04 1.23 -1.32 0.00 0.00 176.35 175.22 3kdy h GLY 505 N 11.72 0.00 -3.76 7.98 0.00 -1.98 -3.42 103.07 113.62 3kdy h GLY 505 Ca -0.28 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.44 3kdy h GLY 505 CO 1.19 0.00 -0.66 -1.34 0.00 0.00 0.00 176.54 175.73 3kdy s VAL 506 N -1.39 3.79 0.42 4.60 -7.23 -1.26 -4.31 120.40 115.01 3kdy s VAL 506 Ca -0.03 -1.33 -0.23 0.00 -1.81 0.00 0.00 61.98 58.58 3kdy s VAL 506 Cb 0.00 -2.89 -0.12 0.00 0.56 0.00 0.00 36.38 33.94 3kdy s VAL 506 CO 0.05 -0.06 0.66 0.47 -0.31 0.00 0.00 175.10 175.90 3kdy n ASP 507 N 0.01 -0.37 -3.53 4.85 9.92 -1.26 -4.98 116.55 121.19 3kdy n ASP 507 Ca -0.10 0.94 -0.08 0.00 -0.53 0.00 0.00 54.79 55.03 3kdy n ASP 507 Cb 0.54 -1.17 -0.02 0.00 -0.64 0.00 0.00 41.12 39.84 3kdy n ASP 507 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3kdy s ARG 508 N -1.68 0.81 -0.25 -1.24 1.70 -1.26 -5.12 118.95 111.91 3kdy s ARG 508 Ca 0.63 -0.31 -0.41 0.00 -0.47 0.00 0.00 55.73 55.17 3kdy s ARG 508 Cb -0.60 0.36 -0.17 0.00 -0.57 0.00 0.00 34.95 33.97 3kdy s ARG 508 CO 0.58 -0.36 1.62 0.98 -1.08 0.00 0.00 175.30 177.04 3kdy n TYR 509 N -0.25 1.84 -0.06 5.89 9.36 -1.26 -4.86 117.16 127.81 3kdy n TYR 509 Ca -0.08 0.70 -0.05 0.00 3.32 0.00 0.00 57.90 61.79 3kdy n TYR 509 Cb 0.61 -2.38 -0.12 0.00 -0.63 0.00 0.00 39.34 36.83 3kdy n TYR 509 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 3kdy n MET 510 N 4.47 1.36 -0.39 2.98 2.81 -1.26 -4.61 117.12 122.48 3kdy n MET 510 Ca 0.26 -0.03 -0.03 0.00 -1.81 0.00 0.00 57.70 56.08 3kdy n MET 510 Cb 0.10 -1.39 0.01 0.00 -0.71 0.00 0.00 33.22 31.23 3kdy n MET 510 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kdy n ALA 511 N -2.48 -0.24 -0.21 3.04 0.00 -1.26 -0.25 120.51 119.11 3kdy n ALA 511 Ca -0.21 0.95 -0.05 0.00 0.00 0.00 0.00 53.44 54.13 3kdy n ALA 511 Cb 0.90 -0.37 0.11 0.00 0.00 0.00 0.00 19.45 20.09 3kdy n ALA 511 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3kdy h ASP 512 N 0.00 0.96 -0.51 0.00 3.32 -1.99 -2.19 116.42 116.01 3kdy h ASP 512 Ca 0.30 -0.18 0.03 0.00 0.02 0.00 0.00 57.03 57.20 3kdy h ASP 512 Cb 0.55 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 3kdy h ASP 512 CO -0.97 0.91 0.30 0.44 -1.72 0.00 0.00 179.24 178.20 3kdy h ASP 513 N 0.99 0.48 -0.22 6.45 5.19 -0.88 -0.95 116.42 127.48 3kdy h ASP 513 Ca 0.21 0.01 -0.18 0.00 -0.62 0.00 0.00 57.03 56.45 3kdy h ASP 513 Cb 0.31 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 39.72 3kdy h ASP 513 CO -0.00 0.34 -0.53 0.40 -3.12 0.00 0.00 179.24 176.33 3kdy h ILE 514 N 0.59 1.28 -0.05 0.35 2.04 -1.11 -2.87 117.51 117.75 3kdy h ILE 514 Ca 0.21 -1.72 -0.06 0.00 1.00 0.00 0.00 64.86 64.28 3kdy h ILE 514 Cb 0.03 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 3kdy h ILE 514 CO -0.10 0.56 -0.25 -0.33 0.00 0.00 0.00 178.15 178.03 3kdy h GLU 515 N 0.62 0.08 -0.22 2.37 4.39 -1.20 -0.20 114.58 120.41 3kdy h GLU 515 Ca 0.02 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 3kdy h GLU 515 Cb 1.12 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.75 3kdy h GLU 515 CO 0.11 0.32 -0.05 1.25 -1.16 0.00 0.00 179.01 179.48 3kdy h LEU 516 N 0.07 0.43 -0.27 1.33 5.85 -1.01 -2.26 115.31 119.45 3kdy h LEU 516 Ca 0.01 -0.37 -0.21 0.00 0.84 0.00 0.00 57.88 58.16 3kdy h LEU 516 Cb 0.48 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 3kdy h LEU 516 CO 0.03 0.70 -0.84 0.58 -0.34 0.00 0.00 178.44 178.57 3kdy h VAL 517 N 0.16 1.39 -0.99 1.05 2.07 -1.33 -2.62 116.25 115.99 3kdy h VAL 517 Ca 0.06 -2.31 0.05 0.00 0.82 0.00 0.00 66.70 65.32 3kdy h VAL 517 Cb 0.51 2.27 -0.06 0.00 -1.52 0.00 0.00 31.29 32.49 3kdy h VAL 517 CO 0.02 0.69 0.64 0.00 0.02 0.00 0.00 177.57 178.95 3kdy h ALA 518 N 0.82 1.39 -0.29 1.67 0.00 -1.02 0.81 119.26 122.64 3kdy h ALA 518 Ca -0.06 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3kdy h ALA 518 Cb 1.45 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3kdy h ALA 518 CO 0.15 0.49 0.01 -0.44 0.00 0.00 0.00 179.25 179.45 3kdy h ASP 519 N 1.20 0.50 -0.02 0.00 5.19 -1.32 -1.70 116.42 120.28 3kdy h ASP 519 Ca 0.41 -0.30 0.02 0.00 -0.62 0.00 0.00 57.03 56.54 3kdy h ASP 519 Cb 0.09 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 39.44 3kdy h ASP 519 CO -0.15 0.68 -0.13 0.00 -3.12 0.00 0.00 179.24 176.53 3kdy h ALA 520 N 0.84 -0.13 -0.61 3.45 0.00 -0.96 -1.12 119.26 120.72 3kdy h ALA 520 Ca 0.08 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.10 3kdy h ALA 520 Cb 0.42 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 3kdy h ALA 520 CO 0.01 -0.61 0.41 -0.07 0.00 0.00 0.00 179.25 178.99 3kdy h LEU 521 N -0.21 0.43 -0.87 0.00 3.38 -0.82 -0.43 115.31 116.79 3kdy h LEU 521 Ca 0.05 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 3kdy h LEU 521 Cb 0.27 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3kdy h LEU 521 CO -0.14 0.27 0.28 -1.28 0.09 0.00 0.00 178.44 177.65 3kdy h SER 522 N 0.48 1.02 -0.27 -0.43 0.87 -0.26 -1.99 113.55 112.97 3kdy h SER 522 Ca 0.28 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 3kdy h SER 522 Cb 0.46 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 3kdy h SER 522 CO -0.08 0.92 0.00 0.54 -0.53 0.00 0.00 176.83 177.68 3kdy n ARG 523 N -4.28 2.55 -3.50 2.24 1.74 -0.33 -4.87 116.66 110.21 3kdy n ARG 523 Ca 0.06 -1.35 -0.26 0.00 -0.77 0.00 0.00 57.85 55.53 3kdy n ARG 523 Cb 0.19 -1.73 0.01 0.00 -1.02 0.00 0.00 32.46 29.91 3kdy n ARG 523 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kdy n GLY 524 N 0.41 -0.49 0.20 -0.13 0.00 -0.75 -4.85 105.19 99.58 3kdy n GLY 524 Ca 0.12 0.12 0.05 0.00 0.00 0.00 0.00 46.02 46.31 3kdy n GLY 524 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kdy h GLU 525 N -1.32 0.00 0.11 1.61 4.39 -1.36 -2.28 114.58 115.73 3kdy h GLU 525 Ca -0.49 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 58.92 3kdy h GLU 525 Cb 1.33 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.97 3kdy h GLU 525 CO 0.59 0.34 -1.43 0.74 -1.16 0.00 0.00 179.01 178.09 3kdy h PHE 526 N 0.00 0.43 0.00 4.33 0.04 -1.89 -2.44 116.94 117.42 3kdy h PHE 526 Ca -0.00 -0.32 -0.05 0.00 2.80 0.00 0.00 57.97 60.40 3kdy h PHE 526 Cb 0.68 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.80 3kdy h PHE 526 CO 0.00 1.32 -0.23 1.25 -0.60 0.00 0.00 178.31 180.06 3kdy h LEU 527 N 0.07 0.00 0.29 1.54 5.85 -1.91 -2.99 115.31 118.15 3kdy h LEU 527 Ca -0.20 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 3kdy h LEU 527 Cb 1.99 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.03 3kdy h LEU 527 CO 0.17 0.23 -0.14 -0.09 -0.34 0.00 0.00 178.44 178.27 3kdy h ARG 528 N 0.00 -0.37 -0.83 1.25 9.65 -1.39 -3.14 114.38 119.55 3kdy h ARG 528 Ca -0.00 0.03 0.24 0.00 -1.10 0.00 0.00 59.98 59.14 3kdy h ARG 528 Cb 0.48 0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 29.11 3kdy h ARG 528 CO 0.03 -0.25 1.03 0.00 2.80 0.00 0.00 179.97 183.58 3kdy h ALA 529 N -1.43 2.71 0.13 2.80 0.00 -1.41 0.93 119.26 122.99 3kdy h ALA 529 Ca -0.04 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.57 3kdy h ALA 529 Cb 0.30 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3kdy h ALA 529 CO 0.07 -1.46 -1.26 0.82 0.00 0.00 0.00 179.25 177.41 3kdy h ILE 530 N 0.00 1.48 -0.01 0.00 1.08 -1.54 -2.37 117.51 116.15 3kdy h ILE 530 Ca 0.39 -3.05 -0.25 0.00 -0.39 0.00 0.00 64.86 61.56 3kdy h ILE 530 Cb 2.46 2.94 0.01 0.00 -3.07 0.00 0.00 36.82 39.16 3kdy h ILE 530 CO -0.00 0.89 -0.99 0.00 -0.69 0.00 0.00 178.15 177.35 3kdy h ALA 531 N 0.58 0.22 0.00 1.87 0.00 0.93 -2.61 119.26 120.24 3kdy h ALA 531 Ca -0.14 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.08 3kdy h ALA 531 Cb 1.98 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.79 3kdy h ALA 531 CO 0.20 0.72 -0.63 0.54 0.00 0.00 0.00 179.25 180.09 3kdy n ARG 532 N -3.83 0.16 0.00 0.00 1.74 -0.85 -3.99 116.66 109.89 3kdy n ARG 532 Ca -0.09 0.03 0.06 0.00 -0.77 0.00 0.00 57.85 57.08 3kdy n ARG 532 Cb 0.86 -1.59 -0.04 0.00 -1.02 0.00 0.00 32.46 30.67 3kdy n ARG 532 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3kdy n GLU 533 N -1.81 2.54 -4.14 5.56 -0.58 -0.89 -5.03 120.64 116.29 3kdy n GLU 533 Ca 0.04 -0.32 -0.11 0.00 -0.42 0.00 0.00 57.16 56.35 3kdy n GLU 533 Cb 0.39 -1.11 -0.08 0.00 -0.57 0.00 0.00 31.44 30.07 3kdy n GLU 533 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3kdy s THR 534 N -1.87 0.00 -1.01 2.62 -4.23 -0.98 -4.96 115.64 105.20 3kdy s THR 534 Ca 0.07 -1.82 0.13 0.00 -1.18 0.00 0.00 61.69 58.90 3kdy s THR 534 Cb 0.09 -2.42 0.59 0.00 1.34 0.00 0.00 72.50 72.11 3kdy s THR 534 CO 0.41 0.00 1.45 0.47 -0.54 0.00 0.00 174.62 176.41 3kdy n ASP 535 N -0.35 4.09 -4.72 3.99 8.00 -1.26 -4.66 116.55 121.64 3kdy n ASP 535 Ca 0.01 -2.45 -0.42 0.00 0.71 0.00 0.00 54.79 52.64 3kdy n ASP 535 Cb 0.65 -0.55 -0.04 0.00 -0.02 0.00 0.00 41.12 41.16 3kdy n ASP 535 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kdy s ILE 536 N -1.94 4.61 -0.32 0.53 1.01 -1.26 -5.03 121.20 118.80 3kdy s ILE 536 Ca 0.41 1.99 -0.07 0.00 0.00 0.00 0.00 60.65 62.98 3kdy s ILE 536 Cb 0.28 -4.27 0.02 0.00 0.01 0.00 0.00 42.46 38.49 3kdy s ILE 536 CO 0.18 0.22 0.11 -1.10 0.00 0.00 0.00 174.94 174.34 3kdy s GLN 537 N 0.58 2.91 -0.14 2.79 -1.52 -1.26 -4.67 119.66 118.33 3kdy s GLN 537 Ca 0.51 -0.99 -0.17 0.00 -1.95 0.00 0.00 55.36 52.76 3kdy s GLN 537 Cb -0.23 -3.45 -0.04 0.00 -0.22 0.00 0.00 33.01 29.07 3kdy s GLN 537 CO 0.29 -0.55 0.44 -0.51 -0.25 0.00 0.00 175.29 174.71 3kdy s LEU 538 N 1.48 4.24 0.00 2.90 1.43 -1.26 -5.01 118.68 122.46 3kdy s LEU 538 Ca 0.01 0.71 0.21 0.00 -1.03 0.00 0.00 54.13 54.03 3kdy s LEU 538 Cb -0.18 -2.62 1.26 0.00 0.03 0.00 0.00 46.19 44.68 3kdy s LEU 538 CO 0.03 -0.01 1.64 0.54 0.23 0.00 0.00 176.35 178.78