#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 2.63 -0.15 1.45 0.04 -1.26 -4.82 135.00 132.89 3kdy s PRO 12 Ca 0.00 1.92 -0.08 0.00 0.04 0.00 0.00 61.00 62.88 3kdy s PRO 12 Cb 0.00 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 3kdy s PRO 12 CO 0.00 -1.50 0.13 0.08 0.04 0.00 0.00 177.00 175.75 3kdy s VAL 13 N -1.58 5.42 -0.23 -0.36 1.01 0.22 -4.86 120.40 120.01 3kdy s VAL 13 Ca 0.79 0.18 -0.11 0.00 0.00 0.00 0.00 61.98 62.85 3kdy s VAL 13 Cb -0.33 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 3kdy s VAL 13 CO 0.38 0.55 0.16 -0.94 0.00 0.00 0.00 175.10 175.25 3kdy s SER 14 N -0.46 6.14 -1.12 3.32 1.04 -1.24 0.14 113.70 121.52 3kdy s SER 14 Ca 0.12 0.15 -0.14 0.00 0.48 0.00 0.00 55.95 56.56 3kdy s SER 14 Cb -0.12 -2.10 0.18 0.00 0.10 0.00 0.00 66.02 64.08 3kdy s SER 14 CO 0.02 0.09 1.29 -0.69 0.98 0.00 0.00 173.24 174.93 3kdy s VAL 15 N 0.91 5.16 -0.92 5.02 1.01 0.14 -4.44 120.40 127.30 3kdy s VAL 15 Ca 0.08 -2.57 0.22 0.00 0.00 0.00 0.00 61.98 59.71 3kdy s VAL 15 Cb -0.13 -4.82 -0.21 0.00 0.00 0.00 0.00 36.38 31.22 3kdy s VAL 15 CO 0.03 -1.50 0.93 -0.90 0.00 0.00 0.00 175.10 173.66 3kdy n ASP 16 N 5.25 0.87 -0.01 3.32 5.75 -1.26 -4.52 116.55 125.94 3kdy n ASP 16 Ca 0.31 -0.83 -0.00 0.00 -0.01 0.00 0.00 54.79 54.26 3kdy n ASP 16 Cb 0.44 0.99 -0.00 0.00 -1.03 0.00 0.00 41.12 41.51 3kdy n ASP 16 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kdy n GLY 17 N 1.48 0.39 0.00 6.12 0.00 -1.21 -4.03 105.19 107.94 3kdy n GLY 17 Ca 0.04 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 -3.00 2.02 -0.00 1.61 -0.58 -1.26 -4.46 120.64 114.97 3kdy n GLU 18 Ca -0.00 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.75 3kdy n GLU 18 Cb 0.01 -0.35 -0.02 0.00 -0.57 0.00 0.00 31.44 30.51 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 -0.26 0.00 -1.66 2.62 -2.24 -1.26 -4.94 114.28 106.55 3kdy n THR 19 Ca 0.00 -0.26 -0.50 0.00 -2.27 0.00 0.00 64.05 61.02 3kdy n THR 19 Cb 0.00 0.73 -0.05 0.00 -2.10 0.00 0.00 70.33 68.91 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 -1.31 2.65 -4.70 3.22 7.94 -1.26 -4.97 117.00 118.57 3kdy n LEU 20 Ca 0.00 1.07 -0.24 0.00 -1.11 0.00 0.00 56.01 55.73 3kdy n LEU 20 Cb 0.06 -1.31 -0.08 0.00 0.53 0.00 0.00 43.42 42.62 3kdy n LEU 20 CO 0.06 -0.48 -0.22 0.42 -1.11 0.00 0.00 177.39 176.06 3kdy s THR 21 N 1.83 2.56 0.10 1.96 -4.23 -1.26 -4.68 115.64 111.92 3kdy s THR 21 Ca 0.86 -1.79 -0.32 0.00 -1.18 0.00 0.00 61.69 59.26 3kdy s THR 21 Cb -0.82 -2.93 -0.13 0.00 1.34 0.00 0.00 72.50 69.97 3kdy s THR 21 CO 0.47 -0.10 1.60 0.58 -0.54 0.00 0.00 174.62 176.63 3kdy h VAL 22 N 1.59 0.21 -0.72 2.29 2.07 -1.93 -0.82 116.25 118.93 3kdy h VAL 22 Ca -0.43 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.23 3kdy h VAL 22 Cb 1.25 0.21 -0.09 0.00 -1.52 0.00 0.00 31.29 31.13 3kdy h VAL 22 CO 0.68 0.00 0.25 -0.33 0.02 0.00 0.00 177.57 178.19 3kdy h GLU 23 N -0.75 0.37 -1.00 1.57 4.39 -1.97 0.14 114.58 117.34 3kdy h GLU 23 Ca -0.01 -0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.73 3kdy h GLU 23 Cb 0.70 -0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 29.20 3kdy h GLU 23 CO -0.12 0.24 0.65 0.00 -1.16 0.00 0.00 179.01 178.63 3kdy h ALA 24 N 1.54 1.41 -0.58 3.43 0.00 -1.82 0.58 119.26 123.81 3kdy h ALA 24 Ca 0.39 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.19 3kdy h ALA 24 Cb 0.60 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3kdy h ALA 24 CO -0.42 0.44 0.03 0.28 0.00 0.00 0.00 179.25 179.59 3kdy h VAL 25 N 1.18 1.26 0.49 0.00 2.07 0.64 -1.16 116.25 120.73 3kdy h VAL 25 Ca 0.43 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 3kdy h VAL 25 Cb 0.17 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3kdy h VAL 25 CO -0.17 0.40 -0.24 0.03 0.02 0.00 0.00 177.57 177.61 3kdy h ARG 26 N 0.90 -0.64 0.00 1.57 3.08 0.05 0.13 114.38 119.47 3kdy h ARG 26 Ca 0.17 0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.26 3kdy h ARG 26 Cb 0.51 0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.71 3kdy h ARG 26 CO 0.02 -0.36 -0.00 0.07 -1.07 0.00 0.00 179.97 178.63 3kdy h ARG 27 N -0.81 0.00 0.03 0.04 0.11 -0.93 1.66 114.38 114.49 3kdy h ARG 27 Ca -0.07 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.92 3kdy h ARG 27 Cb 0.57 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.66 3kdy h ARG 27 CO 0.11 0.00 -0.38 0.28 0.10 0.00 0.00 179.97 180.09 3kdy h VAL 28 N 0.00 1.58 0.06 0.08 2.07 -0.94 -0.52 116.25 118.58 3kdy h VAL 28 Ca -0.00 -2.18 -0.24 0.00 0.82 0.00 0.00 66.70 65.10 3kdy h VAL 28 Cb 0.01 2.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 3kdy h VAL 28 CO 0.00 0.60 -1.09 0.00 0.02 0.00 0.00 177.57 177.10 3kdy h ALA 29 N 0.17 0.26 -0.15 1.67 0.00 -0.29 -3.06 119.26 117.87 3kdy h ALA 29 Ca -0.06 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 53.98 3kdy h ALA 29 Cb 1.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3kdy h ALA 29 CO 0.07 1.08 0.00 0.39 0.00 0.00 0.00 179.25 180.80 3kdy n GLU 30 N -3.47 0.00 0.00 0.00 1.02 0.56 -4.19 120.64 114.56 3kdy n GLU 30 Ca -0.04 0.29 0.04 0.00 -0.02 0.00 0.00 57.16 57.43 3kdy n GLU 30 Cb 0.96 -0.78 0.24 0.00 -0.02 0.00 0.00 31.44 31.83 3kdy n GLU 30 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3kdy n GLU 31 N -2.13 0.44 -2.35 3.49 1.02 -0.33 -4.80 120.64 115.99 3kdy n GLU 31 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.94 3kdy n GLU 31 Cb 0.00 -1.28 -0.01 0.00 -0.02 0.00 0.00 31.44 30.13 3kdy n GLU 31 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3kdy n ARG 32 N -0.78 -1.59 -0.91 3.49 1.74 -1.04 -4.92 116.66 112.65 3kdy n ARG 32 Ca 0.06 0.98 -0.33 0.00 -0.77 0.00 0.00 57.85 57.79 3kdy n ARG 32 Cb 0.03 -5.58 0.13 0.00 -1.02 0.00 0.00 32.46 26.01 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 -1.83 -1.26 -2.31 7.54 0.00 -0.47 -4.97 120.51 117.21 3kdy n ALA 33 Ca -0.24 -0.47 -0.36 0.00 0.00 0.00 0.00 53.44 52.37 3kdy n ALA 33 Cb 0.68 -2.04 -0.06 0.00 0.00 0.00 0.00 19.45 18.03 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 -2.32 4.79 -0.17 0.00 2.01 -1.26 -4.73 115.64 113.96 3kdy s THR 34 Ca 0.65 0.98 -0.03 0.00 0.31 0.00 0.00 61.69 63.61 3kdy s THR 34 Cb -0.26 -3.79 -0.02 0.00 0.01 0.00 0.00 72.50 68.44 3kdy s THR 34 CO 0.59 0.32 -0.07 0.68 -0.69 0.00 0.00 174.62 175.46 3kdy s VAL 35 N -1.38 3.51 -0.12 3.82 -7.23 -1.25 0.69 120.40 118.44 3kdy s VAL 35 Ca 0.36 -0.48 0.01 0.00 -1.81 0.00 0.00 61.98 60.06 3kdy s VAL 35 Cb -0.16 -2.54 -0.01 0.00 0.56 0.00 0.00 36.38 34.23 3kdy s VAL 35 CO 0.19 0.48 -0.17 -0.62 -0.31 0.00 0.00 175.10 174.67 3kdy s ASP 36 N 0.67 3.67 -0.59 4.85 2.15 0.38 -4.90 116.67 122.90 3kdy s ASP 36 Ca -0.04 -0.42 -0.10 0.00 0.43 0.00 0.00 52.55 52.43 3kdy s ASP 36 Cb -0.15 -1.54 0.15 0.00 -0.30 0.00 0.00 42.92 41.08 3kdy s ASP 36 CO 0.02 0.16 0.48 0.68 -0.17 0.00 0.00 175.17 176.34 3kdy s VAL 37 N 0.36 4.59 -0.24 1.11 -7.23 -1.26 0.27 120.40 117.99 3kdy s VAL 37 Ca -0.14 -2.09 -0.41 0.00 -1.81 0.00 0.00 61.98 57.53 3kdy s VAL 37 Cb -0.17 -3.96 -0.17 0.00 0.56 0.00 0.00 36.38 32.64 3kdy s VAL 37 CO 0.07 -0.86 1.56 -0.81 -0.31 0.00 0.00 175.10 174.75 3kdy n PRO 38 N 4.52 0.72 -0.46 4.82 -0.04 -1.26 -4.62 135.00 138.68 3kdy n PRO 38 Ca -0.01 0.26 0.38 0.00 -0.04 0.00 0.00 63.50 64.09 3kdy n PRO 38 Cb 0.41 -1.87 0.59 0.00 -0.04 0.00 0.00 33.50 32.59 3kdy n PRO 38 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kdy n ALA 39 N 4.09 1.36 0.09 0.55 0.00 -1.26 0.12 120.51 125.46 3kdy n ALA 39 Ca 0.26 0.47 -0.12 0.00 0.00 0.00 0.00 53.44 54.04 3kdy n ALA 39 Cb 0.08 -0.81 -0.05 0.00 0.00 0.00 0.00 19.45 18.67 3kdy n ALA 39 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3kdy h GLU 40 N 0.00 -0.34 -0.63 0.00 3.07 -1.99 0.44 114.58 115.13 3kdy h GLU 40 Ca 0.67 0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 59.53 3kdy h GLU 40 Cb 3.00 0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 30.96 3kdy h GLU 40 CO -0.01 -0.23 0.29 0.77 -1.40 0.00 0.00 179.01 178.44 3kdy h SER 41 N -0.35 0.81 -0.05 1.42 0.02 0.63 -0.92 113.55 115.10 3kdy h SER 41 Ca 0.04 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3kdy h SER 41 Cb 0.39 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 3kdy h SER 41 CO -0.13 0.70 0.03 0.40 -1.14 0.00 0.00 176.83 176.68 3kdy h ILE 42 N 0.89 1.04 0.00 3.27 1.08 -0.95 -0.19 117.51 122.65 3kdy h ILE 42 Ca 0.22 -0.10 -0.06 0.00 -0.39 0.00 0.00 64.86 64.52 3kdy h ILE 42 Cb 0.11 1.02 -0.01 0.00 -3.07 0.00 0.00 36.82 34.87 3kdy h ILE 42 CO -0.03 0.03 -0.30 0.00 -0.69 0.00 0.00 178.15 177.16 3kdy h ALA 43 N 0.99 1.39 -0.16 1.87 0.00 0.09 -0.41 119.26 123.01 3kdy h ALA 43 Ca 0.02 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 3kdy h ALA 43 Cb 0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3kdy h ALA 43 CO -0.00 0.38 -0.07 -0.22 0.00 0.00 0.00 179.25 179.33 3kdy h LYS 44 N 0.00 0.34 -0.14 0.00 3.64 -0.71 0.76 116.57 120.47 3kdy h LYS 44 Ca -0.00 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 3kdy h LYS 44 Cb 0.57 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 3kdy h LYS 44 CO 0.04 0.65 0.02 0.00 -2.27 0.00 0.00 179.45 177.89 3kdy h ALA 45 N 0.68 1.79 0.31 5.00 0.00 -0.58 0.13 119.26 126.60 3kdy h ALA 45 Ca 0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3kdy h ALA 45 Cb 0.54 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3kdy h ALA 45 CO 0.02 0.17 -0.15 0.37 0.00 0.00 0.00 179.25 179.66 3kdy h GLN 46 N 0.19 -0.40 -0.77 0.00 5.75 -0.58 0.96 115.11 120.26 3kdy h GLN 46 Ca 0.05 0.03 0.09 0.00 -0.15 0.00 0.00 58.65 58.66 3kdy h GLN 46 Cb 0.10 0.09 -0.11 0.00 1.07 0.00 0.00 27.48 28.63 3kdy h GLN 46 CO -0.00 -0.07 -0.53 -0.22 -2.65 0.00 0.00 178.83 175.35 3kdy h LYS 47 N -0.93 -0.14 0.12 1.69 3.64 0.12 0.55 116.57 121.62 3kdy h LYS 47 Ca -0.04 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3kdy h LYS 47 Cb 0.51 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 3kdy h LYS 47 CO 0.07 -0.09 -0.14 0.77 -2.27 0.00 0.00 179.45 177.78 3kdy h SER 48 N -0.15 -0.41 0.00 4.20 0.02 -0.73 -2.28 113.55 114.20 3kdy h SER 48 Ca 0.16 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 3kdy h SER 48 Cb 0.51 0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.19 3kdy h SER 48 CO -0.81 -0.18 0.51 -1.14 -1.14 0.00 0.00 176.83 174.06 3kdy n ARG 49 N -3.20 0.06 -0.10 3.45 3.00 0.33 -1.14 116.66 119.06 3kdy n ARG 49 Ca -0.03 0.52 -0.19 0.00 -0.00 0.00 0.00 57.85 58.15 3kdy n ARG 49 Cb 0.13 -2.18 -0.10 0.00 0.00 0.00 0.00 32.46 30.30 3kdy n ARG 49 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 3kdy h GLU 50 N 0.00 0.00 0.06 -0.14 4.22 0.63 -3.33 114.58 116.02 3kdy h GLU 50 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 3kdy h GLU 50 Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 3kdy h GLU 50 CO 0.00 0.87 -0.03 0.82 -2.18 0.00 0.00 179.01 178.49 3kdy h ILE 51 N -1.00 1.20 0.05 2.32 1.08 -0.89 -3.29 117.51 116.98 3kdy h ILE 51 Ca -0.28 -0.97 0.01 0.00 -0.39 0.00 0.00 64.86 63.24 3kdy h ILE 51 Cb 1.17 1.83 -0.03 0.00 -3.07 0.00 0.00 36.82 36.71 3kdy h ILE 51 CO -0.17 0.24 -0.37 0.15 -0.69 0.00 0.00 178.15 177.31 3kdy h PHE 52 N -0.52 -1.07 -1.50 1.37 3.57 -1.51 -0.68 116.94 116.60 3kdy h PHE 52 Ca -0.01 0.03 0.47 0.00 3.53 0.00 0.00 57.97 61.99 3kdy h PHE 52 Cb 0.45 0.46 -0.11 0.00 2.79 0.00 0.00 35.95 39.55 3kdy h PHE 52 CO 0.07 -0.41 1.02 1.49 -2.23 0.00 0.00 178.31 178.25 3kdy h GLU 53 N -0.50 0.05 -0.49 1.11 4.81 -1.69 1.81 114.58 119.68 3kdy h GLU 53 Ca 0.00 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 3kdy h GLU 53 Cb 0.51 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 3kdy h GLU 53 CO -0.22 0.03 -0.08 0.78 -0.73 0.00 0.00 179.01 178.80 3kdy h GLY 54 N 0.05 0.99 0.98 1.92 0.00 -1.20 -2.15 103.07 103.67 3kdy h GLY 54 Ca 0.84 -0.79 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 3kdy h GLY 54 CO -0.27 0.72 0.27 -2.22 0.00 0.00 0.00 176.54 175.04 3kdy h ILE 55 N 0.77 1.20 0.00 2.60 2.04 0.31 -1.85 117.51 122.58 3kdy h ILE 55 Ca 0.13 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 3kdy h ILE 55 Cb 0.62 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.26 3kdy h ILE 55 CO 0.04 0.23 -0.11 0.00 0.00 0.00 0.00 178.15 178.31 3kdy h ALA 56 N 1.10 1.26 -0.39 1.87 0.00 -1.19 -2.13 119.26 119.78 3kdy h ALA 56 Ca 0.19 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 3kdy h ALA 56 Cb 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3kdy h ALA 56 CO -0.02 0.13 -0.24 0.93 0.00 0.00 0.00 179.25 180.05 3kdy h GLU 57 N 0.00 0.79 0.00 0.00 4.39 -0.66 -1.91 114.58 117.19 3kdy h GLU 57 Ca -0.00 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.37 3kdy h GLU 57 Cb 0.33 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 3kdy h GLU 57 CO 0.01 0.95 0.00 1.04 -1.16 0.00 0.00 179.01 179.85 3kdy n GLN 58 N -4.11 0.09 -3.62 2.33 6.02 -0.80 -4.83 117.38 112.47 3kdy n GLN 58 Ca -0.00 0.23 -0.24 0.00 -0.01 0.00 0.00 57.00 56.98 3kdy n GLN 58 Cb 0.44 -1.50 0.07 0.00 1.02 0.00 0.00 30.24 30.28 3kdy n GLN 58 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3kdy n ASN 59 N -1.29 -6.28 -4.85 1.08 5.15 -0.72 -4.99 115.26 103.36 3kdy n ASN 59 Ca 0.03 -0.56 -0.37 0.00 -0.60 0.00 0.00 54.58 53.09 3kdy n ASN 59 Cb 0.05 -4.94 -0.06 0.00 -0.53 0.00 0.00 39.78 34.30 3kdy n ASN 59 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3kdy s ILE 60 N -3.32 5.06 0.12 -1.44 -4.36 -1.26 -4.99 121.20 111.02 3kdy s ILE 60 Ca 0.59 0.69 -0.33 0.00 -0.26 0.00 0.00 60.65 61.34 3kdy s ILE 60 Cb -0.26 -3.68 -0.18 0.00 1.25 0.00 0.00 42.46 39.59 3kdy s ILE 60 CO 0.73 0.46 0.78 -2.65 0.24 0.00 0.00 174.94 174.51 3kdy n PRO 61 N 1.46 0.11 -3.36 0.37 -0.02 -1.26 -4.80 135.00 127.50 3kdy n PRO 61 Ca -0.12 0.04 0.02 0.00 -2.02 0.00 0.00 63.50 61.42 3kdy n PRO 61 Cb 0.52 -1.27 -0.03 0.00 -0.02 0.00 0.00 33.50 32.70 3kdy n PRO 61 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3kdy s ILE 62 N -0.56 -0.83 0.03 4.25 1.01 -1.26 -4.96 121.20 118.87 3kdy s ILE 62 Ca 0.75 0.00 -0.37 0.00 0.00 0.00 0.00 60.65 61.03 3kdy s ILE 62 Cb -1.05 -1.00 -0.16 0.00 0.01 0.00 0.00 42.46 40.26 3kdy s ILE 62 CO 0.56 0.00 1.46 0.00 0.00 0.00 0.00 174.94 176.96 3kdy n TYR 63 N 5.37 1.73 0.00 3.97 9.36 -1.26 0.25 117.16 136.58 3kdy n TYR 63 Ca -0.07 0.55 0.00 0.00 3.32 0.00 0.00 57.90 61.70 3kdy n TYR 63 Cb 0.51 -2.39 0.00 0.00 -0.63 0.00 0.00 39.34 36.83 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 2.99 1.31 0.07 2.98 0.00 -1.24 -4.61 105.19 106.69 3kdy n GLY 64 Ca 0.20 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 3kdy n GLY 64 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kdy h VAL 65 N 0.00 1.59 -0.29 1.61 2.07 -1.56 -3.40 116.25 116.26 3kdy h VAL 65 Ca 0.00 -2.10 -0.24 0.00 0.82 0.00 0.00 66.70 65.18 3kdy h VAL 65 Cb 0.00 2.95 -0.32 0.00 -1.52 0.00 0.00 31.29 32.41 3kdy h VAL 65 CO 0.00 0.52 -0.89 0.35 0.02 0.00 0.00 177.57 177.57 3kdy n THR 66 N -4.66 1.42 -3.91 2.57 -2.24 0.14 -4.83 114.28 102.78 3kdy n THR 66 Ca -0.09 -2.78 -0.08 0.00 -2.27 0.00 0.00 64.05 58.84 3kdy n THR 66 Cb 0.41 0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 68.94 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 -2.84 0.00 1.14 4.28 -4.23 -1.18 -1.76 115.64 111.05 3kdy s THR 67 Ca 0.37 -1.14 -0.19 0.00 -1.18 0.00 0.00 61.69 59.54 3kdy s THR 67 Cb 0.37 -2.07 0.28 0.00 1.34 0.00 0.00 72.50 72.42 3kdy s THR 67 CO -0.06 -0.00 1.04 0.61 -0.54 0.00 0.00 174.62 175.67 3kdy n GLY 68 N -0.43 -2.67 3.42 3.99 0.00 0.18 -3.58 105.19 106.10 3kdy n GLY 68 Ca -0.03 -1.51 -0.32 0.00 0.00 0.00 0.00 46.02 44.16 3kdy n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kdy s TYR 69 N -2.92 2.66 0.00 1.61 1.51 -1.26 -3.87 117.35 115.08 3kdy s TYR 69 Ca 0.67 -0.34 0.00 0.00 -1.01 0.00 0.00 57.07 56.39 3kdy s TYR 69 Cb -0.06 -1.66 0.00 0.00 -0.11 0.00 0.00 41.96 40.13 3kdy s TYR 69 CO 0.51 0.04 0.00 0.41 -1.11 0.00 0.00 175.55 175.40 3kdy n GLY 70 N 2.63 2.75 0.11 0.71 0.00 -1.26 -2.23 105.19 107.91 3kdy n GLY 70 Ca -0.17 -0.25 0.11 0.00 0.00 0.00 0.00 46.02 45.70 3kdy n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kdy n ALA 71 N 11.12 1.60 1.53 4.61 0.00 -1.26 -2.08 120.51 136.04 3kdy n ALA 71 Ca 0.00 0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.58 3kdy n ALA 71 Cb 0.00 -1.35 0.28 0.00 0.00 0.00 0.00 19.45 18.37 3kdy n ALA 71 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3kdy n MET 72 N -2.11 1.38 0.15 0.00 2.00 -0.94 -4.05 117.12 113.54 3kdy n MET 72 Ca 0.02 -0.59 0.19 0.00 0.00 0.00 0.00 57.70 57.32 3kdy n MET 72 Cb 0.20 -1.24 0.77 0.00 0.00 0.00 0.00 33.22 32.95 3kdy n MET 72 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 175.97 176.94 3kdy h ILE 73 N 1.06 0.35 0.00 2.02 2.10 -1.57 0.39 117.51 121.86 3kdy h ILE 73 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3kdy h ILE 73 Cb 0.24 0.69 0.00 0.00 -1.09 0.00 0.00 36.82 36.66 3kdy h ILE 73 CO 0.00 0.00 0.00 0.10 -1.08 0.00 0.00 178.15 177.17 3kdy h TYR 74 N 0.00 0.00 -3.42 2.19 -0.00 -1.86 -3.39 116.97 110.49 3kdy h TYR 74 Ca 0.15 0.00 -0.55 0.00 -0.00 0.00 0.00 58.73 58.33 3kdy h TYR 74 Cb 0.91 0.00 -0.04 0.00 -0.00 0.00 0.00 36.73 37.60 3kdy h TYR 74 CO 0.00 0.00 0.15 -1.64 -0.00 0.00 0.00 178.16 176.67 3kdy s MET 75 N -3.63 4.48 -0.22 0.10 -1.94 0.14 -4.97 119.30 113.26 3kdy s MET 75 Ca 0.01 1.04 -0.04 0.00 -1.71 0.00 0.00 55.69 55.00 3kdy s MET 75 Cb 0.09 -3.35 -0.01 0.00 2.01 0.00 0.00 34.83 33.57 3kdy s MET 75 CO 0.50 0.31 -0.04 -0.65 -0.01 0.00 0.00 175.02 175.13 3kdy s GLN 76 N -0.15 3.38 -0.36 2.03 -1.52 -1.26 -0.64 119.66 121.13 3kdy s GLN 76 Ca 0.38 -0.63 -0.16 0.00 -1.95 0.00 0.00 55.36 53.00 3kdy s GLN 76 Cb -0.20 -3.02 -0.00 0.00 -0.22 0.00 0.00 33.01 29.56 3kdy s GLN 76 CO 0.23 -0.20 0.40 0.08 -0.25 0.00 0.00 175.29 175.54 3kdy s VAL 77 N 1.48 5.13 0.32 1.09 1.01 -0.72 -4.90 120.40 123.81 3kdy s VAL 77 Ca 0.06 0.01 -0.29 0.00 0.00 0.00 0.00 61.98 61.76 3kdy s VAL 77 Cb -0.14 -3.88 -0.12 0.00 0.00 0.00 0.00 36.38 32.24 3kdy s VAL 77 CO -0.03 -0.17 1.52 -0.67 0.00 0.00 0.00 175.10 175.75 3kdy n ASP 78 N 5.47 3.66 -0.54 3.32 -0.08 -1.26 -4.49 116.55 122.64 3kdy n ASP 78 Ca -0.08 1.18 0.43 0.00 -1.51 0.00 0.00 54.79 54.81 3kdy n ASP 78 Cb 0.49 -1.58 0.74 0.00 2.34 0.00 0.00 41.12 43.10 3kdy n ASP 78 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 3kdy h LYS 79 N 3.91 0.04 0.00 -0.67 2.10 -1.91 -1.75 116.57 118.29 3kdy h LYS 79 Ca -0.48 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 3kdy h LYS 79 Cb 1.24 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 3kdy h LYS 79 CO 0.72 0.03 0.02 -1.13 -2.00 0.00 0.00 179.45 177.09 3kdy n SER 80 N -4.30 0.00 -0.21 7.07 3.41 -1.26 -0.19 113.62 118.13 3kdy n SER 80 Ca 0.38 0.05 0.06 0.00 -0.26 0.00 0.00 58.87 59.10 3kdy n SER 80 Cb 1.65 -0.05 0.08 0.00 -0.26 0.00 0.00 64.21 65.63 3kdy n SER 80 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3kdy n LYS 81 N -0.92 0.88 -0.32 4.33 4.76 -0.66 -4.83 118.16 121.39 3kdy n LYS 81 Ca 0.00 -1.97 0.10 0.00 -2.87 0.00 0.00 58.31 53.57 3kdy n LYS 81 Cb 0.02 -1.12 0.21 0.00 -1.84 0.00 0.00 35.03 32.30 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 0.00 0.04 0.35 1.97 4.81 -0.78 -1.22 114.58 119.73 3kdy h GLU 82 Ca 0.00 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3kdy h GLU 82 Cb 1.12 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.50 3kdy h GLU 82 CO 0.00 0.02 -0.17 0.28 -0.73 0.00 0.00 179.01 178.42 3kdy h VAL 83 N 0.04 0.62 0.43 0.32 2.07 -1.85 -3.15 116.25 114.73 3kdy h VAL 83 Ca 0.51 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 3kdy h VAL 83 Cb 0.96 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 3kdy h VAL 83 CO -0.86 0.10 -0.52 -0.08 0.02 0.00 0.00 177.57 176.23 3kdy h GLU 84 N -0.80 -0.94 -0.94 1.57 4.81 -1.66 -2.30 114.58 114.31 3kdy h GLU 84 Ca -0.05 0.06 0.12 0.00 -0.13 0.00 0.00 59.36 59.37 3kdy h GLU 84 Cb 0.52 0.21 -0.14 0.00 0.63 0.00 0.00 28.75 29.97 3kdy h GLU 84 CO 0.08 -0.62 -0.47 1.25 -0.73 0.00 0.00 179.01 178.52 3kdy h LEU 85 N -0.97 -1.70 -2.44 1.64 5.85 -1.37 0.96 115.31 117.28 3kdy h LEU 85 Ca -0.05 0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 3kdy h LEU 85 Cb 0.86 0.82 -0.00 0.00 0.37 0.00 0.00 40.66 42.71 3kdy h LEU 85 CO -0.11 -0.27 -0.02 1.56 -0.34 0.00 0.00 178.44 179.26 3kdy h GLN 86 N -0.03 0.00 0.09 1.25 1.08 -1.48 -2.53 115.11 113.49 3kdy h GLN 86 Ca 0.26 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 57.24 3kdy h GLN 86 Cb 0.53 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.95 3kdy h GLN 86 CO -0.93 0.02 -1.11 1.15 -0.95 0.00 0.00 178.83 177.01 3kdy h THR 87 N 0.00 1.20 -0.94 -0.54 2.02 0.14 -3.28 112.91 111.51 3kdy h THR 87 Ca -0.00 -2.39 0.00 0.00 0.77 0.00 0.00 66.41 64.79 3kdy h THR 87 Cb 0.17 2.83 -0.05 0.00 -1.74 0.00 0.00 68.15 69.36 3kdy h THR 87 CO 0.00 0.65 0.59 0.78 0.37 0.00 0.00 175.52 177.91 3kdy h ASN 88 N -0.49 1.11 0.15 4.18 2.35 -0.58 -2.48 115.58 119.82 3kdy h ASN 88 Ca -0.24 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.46 3kdy h ASN 88 Cb 1.59 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 39.67 3kdy h ASN 88 CO 0.04 0.83 -0.11 0.25 -1.65 0.00 0.00 177.43 176.78 3kdy h LEU 89 N 1.29 -0.29 -1.30 1.61 5.85 -1.60 0.23 115.31 121.09 3kdy h LEU 89 Ca 0.34 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 59.05 3kdy h LEU 89 Cb -0.09 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 3kdy h LEU 89 CO -0.07 -0.18 0.11 0.58 -0.34 0.00 0.00 178.44 178.55 3kdy h VAL 90 N -0.27 1.18 0.23 1.05 2.07 -1.58 -1.50 116.25 117.42 3kdy h VAL 90 Ca -0.01 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 3kdy h VAL 90 Cb 0.24 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3kdy h VAL 90 CO -0.01 0.22 -0.11 0.03 0.02 0.00 0.00 177.57 177.72 3kdy h ARG 91 N 0.58 -0.30 -0.16 1.57 3.08 -1.21 -3.03 114.38 114.92 3kdy h ARG 91 Ca 0.14 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.25 3kdy h ARG 91 Cb 0.20 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3kdy h ARG 91 CO -0.01 -0.12 0.12 0.66 -1.07 0.00 0.00 179.97 179.55 3kdy h SER 92 N -1.06 0.00 -0.25 7.04 4.64 -0.99 -0.23 113.55 122.71 3kdy h SER 92 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3kdy h SER 92 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3kdy h SER 92 CO 0.05 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.42 3kdy n HIS 93 N -4.47 0.33 -1.61 4.77 8.25 -0.57 -4.33 115.22 117.60 3kdy n HIS 93 Ca 0.01 -0.16 -0.31 0.00 -0.26 0.00 0.00 57.72 57.00 3kdy n HIS 93 Cb 0.25 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.31 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 0.49 7.09 -2.28 0.41 7.64 -0.10 -3.96 113.62 122.91 3kdy n SER 94 Ca 0.15 -3.05 -0.33 0.00 1.01 0.00 0.00 58.87 56.65 3kdy n SER 94 Cb 0.34 -1.33 0.07 0.00 -1.01 0.00 0.00 64.21 62.29 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 1.57 6.12 -2.13 -0.43 0.00 -1.26 -4.99 120.51 119.39 3kdy n ALA 95 Ca 0.56 -3.54 -0.41 0.00 0.00 0.00 0.00 53.44 50.04 3kdy n ALA 95 Cb 0.46 -1.53 -0.03 0.00 0.00 0.00 0.00 19.45 18.34 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 -2.13 2.66 0.36 0.00 0.00 -1.26 -4.83 107.32 102.12 3kdy s GLY 96 Ca 0.62 0.90 0.04 0.00 0.00 0.00 0.00 44.72 46.28 3kdy s GLY 96 CO -0.01 1.84 0.07 -1.34 0.00 0.00 0.00 173.10 173.66 3kdy s VAL 97 N 0.12 1.10 0.00 1.40 -7.23 0.09 -4.84 120.40 111.04 3kdy s VAL 97 Ca 0.53 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.70 3kdy s VAL 97 Cb -0.31 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 33.96 3kdy s VAL 97 CO 0.35 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.75 3kdy n GLY 98 N -0.78 -1.84 3.76 2.32 0.00 -1.26 -0.97 105.19 106.41 3kdy n GLY 98 Ca -0.04 -1.70 -0.31 0.00 0.00 0.00 0.00 46.02 43.96 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 2.19 0.00 1.61 0.04 -1.26 -4.57 135.00 133.01 3kdy s PRO 99 Ca 0.00 1.19 -0.18 0.00 0.04 0.00 0.00 61.00 62.05 3kdy s PRO 99 Cb 0.00 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.60 3kdy s PRO 99 CO 0.00 -1.70 0.52 -0.51 0.04 0.00 0.00 177.00 175.35 3kdy s LEU 100 N -5.95 4.45 0.78 -3.56 1.43 -1.26 0.40 118.68 114.96 3kdy s LEU 100 Ca 0.62 1.09 -0.14 0.00 -1.03 0.00 0.00 54.13 54.66 3kdy s LEU 100 Cb -0.18 -2.79 0.07 0.00 0.03 0.00 0.00 46.19 43.32 3kdy s LEU 100 CO 0.56 0.20 1.23 -0.36 0.23 0.00 0.00 176.35 178.21 3kdy s PHE 101 N -0.60 1.83 0.83 0.29 0.40 0.12 -4.87 117.98 115.99 3kdy s PHE 101 Ca 0.28 1.64 -0.11 0.00 -0.60 0.00 0.00 56.93 58.13 3kdy s PHE 101 Cb -0.18 -3.54 0.09 0.00 0.51 0.00 0.00 43.02 39.91 3kdy s PHE 101 CO 0.16 -2.91 1.09 0.00 0.70 0.00 0.00 175.22 174.26 3kdy s ALA 102 N -1.99 1.96 0.16 5.36 0.00 -1.26 -4.74 121.76 121.25 3kdy s ALA 102 Ca 0.75 -0.10 -0.17 0.00 0.00 0.00 0.00 51.96 52.45 3kdy s ALA 102 Cb -0.31 -3.16 0.07 0.00 0.00 0.00 0.00 23.12 19.73 3kdy s ALA 102 CO 0.49 -1.98 1.70 1.49 0.00 0.00 0.00 175.76 177.45 3kdy h GLU 103 N -1.28 0.07 -0.49 0.00 4.81 -1.96 0.91 114.58 116.64 3kdy h GLU 103 Ca -0.48 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.71 3kdy h GLU 103 Cb 1.27 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 3kdy h GLU 103 CO 0.56 0.04 0.14 0.38 -0.73 0.00 0.00 179.01 179.41 3kdy h ASP 104 N 0.07 0.72 0.04 1.04 3.04 -1.93 0.03 116.42 119.43 3kdy h ASP 104 Ca 0.17 -0.22 0.02 0.00 -3.24 0.00 0.00 57.03 53.77 3kdy h ASP 104 Cb 0.25 -0.19 -0.03 0.00 -1.04 0.00 0.00 39.33 38.31 3kdy h ASP 104 CO -0.31 0.75 -0.19 -0.33 -2.04 0.00 0.00 179.24 177.12 3kdy h GLU 105 N 0.66 -0.32 0.40 4.15 5.08 -1.75 0.14 114.58 122.95 3kdy h GLU 105 Ca 0.16 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 3kdy h GLU 105 Cb 0.30 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 3kdy h GLU 105 CO -0.00 -0.21 -0.24 0.00 -1.00 0.00 0.00 179.01 177.56 3kdy h ALA 106 N 0.54 -0.60 -0.99 3.43 0.00 -0.70 -2.01 119.26 118.93 3kdy h ALA 106 Ca 0.05 -0.12 0.16 0.00 0.00 0.00 0.00 54.91 55.00 3kdy h ALA 106 Cb 0.38 0.29 -0.09 0.00 0.00 0.00 0.00 17.79 18.37 3kdy h ALA 106 CO -0.15 -0.85 0.62 0.00 0.00 0.00 0.00 179.25 178.86 3kdy h ARG 107 N -0.61 0.79 -0.06 0.00 3.08 -0.86 0.42 114.38 117.15 3kdy h ARG 107 Ca -0.05 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 3kdy h ARG 107 Cb 0.49 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3kdy h ARG 107 CO 0.05 0.53 -0.11 0.00 -1.07 0.00 0.00 179.97 179.37 3kdy h ALA 108 N 1.60 1.71 0.03 0.04 0.00 -0.24 -1.73 119.26 120.67 3kdy h ALA 108 Ca 0.53 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.25 3kdy h ALA 108 Cb 0.76 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3kdy h ALA 108 CO -0.31 0.22 -0.26 0.82 0.00 0.00 0.00 179.25 179.71 3kdy h ILE 109 N 0.08 1.68 -0.67 0.00 2.04 0.42 -3.01 117.51 118.05 3kdy h ILE 109 Ca 0.02 -2.38 0.12 0.00 1.00 0.00 0.00 64.86 63.62 3kdy h ILE 109 Cb 0.26 3.28 -0.04 0.00 -0.74 0.00 0.00 36.82 39.57 3kdy h ILE 109 CO 0.02 0.62 0.45 0.58 0.00 0.00 0.00 178.15 179.81 3kdy h VAL 110 N -0.86 0.86 0.15 1.67 2.07 -0.66 -1.41 116.25 118.07 3kdy h VAL 110 Ca -0.05 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 3kdy h VAL 110 Cb 1.16 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 3kdy h VAL 110 CO 0.02 0.08 -0.07 0.00 0.02 0.00 0.00 177.57 177.61 3kdy h ALA 111 N 1.67 -0.20 -1.00 1.67 0.00 -1.41 -2.40 119.26 117.58 3kdy h ALA 111 Ca 0.32 -0.19 0.24 0.00 0.00 0.00 0.00 54.91 55.27 3kdy h ALA 111 Cb 0.66 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.44 3kdy h ALA 111 CO -0.09 -0.42 0.64 0.00 0.00 0.00 0.00 179.25 179.38 3kdy h ALA 112 N 0.15 2.10 -0.12 0.00 0.00 -1.15 0.28 119.26 120.52 3kdy h ALA 112 Ca -0.02 0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 3kdy h ALA 112 Cb 0.46 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3kdy h ALA 112 CO 0.03 -0.48 -0.66 -0.09 0.00 0.00 0.00 179.25 178.05 3kdy h ARG 113 N 0.47 0.49 -0.08 0.00 9.65 -1.26 -2.49 114.38 121.17 3kdy h ARG 113 Ca 0.57 -0.37 -0.02 0.00 -1.10 0.00 0.00 59.98 59.06 3kdy h ARG 113 Cb 1.31 0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 29.96 3kdy h ARG 113 CO -0.30 0.99 -0.05 1.25 2.80 0.00 0.00 179.97 184.67 3kdy h LEU 114 N 0.36 0.17 -1.82 3.80 5.85 -0.07 -2.28 115.31 121.31 3kdy h LEU 114 Ca -0.02 -0.43 0.06 0.00 0.84 0.00 0.00 57.88 58.33 3kdy h LEU 114 Cb 1.23 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 3kdy h LEU 114 CO 0.12 0.57 0.24 -1.13 -0.34 0.00 0.00 178.44 177.90 3kdy h ASN 115 N -0.22 0.19 0.14 1.25 -1.24 -0.72 0.49 115.58 115.47 3kdy h ASN 115 Ca 0.02 -0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.02 3kdy h ASN 115 Cb 0.51 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.52 3kdy h ASN 115 CO 0.01 0.13 -0.07 0.74 -1.29 0.00 0.00 177.43 176.95 3kdy h THR 116 N 0.22 1.01 0.00 -3.57 2.02 -1.31 -3.04 112.91 108.24 3kdy h THR 116 Ca 0.15 -1.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.33 3kdy h THR 116 Cb 0.34 1.60 -0.00 0.00 -1.74 0.00 0.00 68.15 68.34 3kdy h THR 116 CO -0.03 0.22 -0.05 -0.07 0.37 0.00 0.00 175.52 175.97 3kdy h LEU 117 N -0.69 0.00 -1.50 2.58 3.38 -0.93 -0.48 115.31 117.66 3kdy h LEU 117 Ca -0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3kdy h LEU 117 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3kdy h LEU 117 CO 0.03 0.05 -0.19 0.00 0.09 0.00 0.00 178.44 178.42 3kdy h ALA 118 N 1.95 1.16 -0.90 1.53 0.00 -0.80 -2.73 119.26 119.47 3kdy h ALA 118 Ca -0.00 -0.17 0.20 0.00 0.00 0.00 0.00 54.91 54.93 3kdy h ALA 118 Cb 0.13 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 3kdy h ALA 118 CO 0.01 0.24 0.59 -0.22 0.00 0.00 0.00 179.25 179.87 3kdy h LYS 119 N 0.00 0.44 0.00 0.00 1.63 -1.00 -3.42 116.57 114.21 3kdy h LYS 119 Ca -0.00 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 3kdy h LYS 119 Cb 0.55 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.09 3kdy h LYS 119 CO 0.02 0.29 0.00 0.41 -3.45 0.00 0.00 179.45 176.72 3kdy n GLY 120 N -1.50 1.17 0.00 5.01 0.00 -1.03 -4.94 105.19 103.91 3kdy n GLY 120 Ca 0.19 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.24 0.00 1.26 1.61 8.25 -1.26 -4.65 115.22 118.20 3kdy n HIS 121 Ca 0.00 -0.01 0.13 0.00 -0.26 0.00 0.00 57.72 57.59 3kdy n HIS 121 Cb 0.13 -0.00 0.47 0.00 1.12 0.00 0.00 29.99 31.71 3kdy n HIS 121 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3kdy n SER 122 N -0.01 0.66 -3.39 0.41 7.64 -1.26 -0.59 113.62 117.08 3kdy n SER 122 Ca 0.00 -0.59 -0.24 0.00 1.01 0.00 0.00 58.87 59.04 3kdy n SER 122 Cb 0.03 0.03 0.01 0.00 -1.01 0.00 0.00 64.21 63.27 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 -0.94 -1.08 -2.93 -0.43 0.00 -1.26 -4.92 120.51 108.94 3kdy n ALA 123 Ca 0.12 0.15 -0.27 0.00 0.00 0.00 0.00 53.44 53.45 3kdy n ALA 123 Cb 0.32 -3.38 -0.03 0.00 0.00 0.00 0.00 19.45 16.35 3kdy n ALA 123 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3kdy s VAL 124 N -3.06 5.28 0.38 0.00 -7.23 -1.26 -4.65 120.40 109.86 3kdy s VAL 124 Ca 0.43 -0.68 -0.28 0.00 -1.81 0.00 0.00 61.98 59.64 3kdy s VAL 124 Cb -0.22 -3.71 -0.11 0.00 0.56 0.00 0.00 36.38 32.91 3kdy s VAL 124 CO 0.53 -0.07 1.45 -0.13 -0.31 0.00 0.00 175.10 176.57 3kdy s ARG 125 N -3.16 4.10 0.55 4.82 0.52 -1.26 -4.55 118.95 119.97 3kdy s ARG 125 Ca 0.34 2.49 0.25 0.00 -0.52 0.00 0.00 55.73 58.29 3kdy s ARG 125 Cb -0.11 -2.95 1.46 0.00 0.52 0.00 0.00 34.95 33.87 3kdy s ARG 125 CO 0.28 -0.50 2.05 -1.35 0.02 0.00 0.00 175.30 175.79 3kdy h PRO 126 N 2.99 0.00 0.00 3.54 0.11 -1.90 0.16 132.00 136.89 3kdy h PRO 126 Ca -0.50 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 3kdy h PRO 126 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 3kdy h PRO 126 CO 0.64 0.00 -0.01 0.97 -0.21 0.00 0.00 178.00 179.39 3kdy h ILE 127 N 0.00 0.40 -0.16 4.15 6.09 -1.98 -1.01 117.51 125.00 3kdy h ILE 127 Ca 0.16 -0.03 -0.02 0.00 -1.37 0.00 0.00 64.86 63.60 3kdy h ILE 127 Cb 0.70 1.02 -0.01 0.00 0.47 0.00 0.00 36.82 39.01 3kdy h ILE 127 CO -0.00 0.01 0.02 0.40 -3.07 0.00 0.00 178.15 175.50 3kdy h ILE 128 N 0.00 1.23 0.00 2.19 1.08 -1.03 0.41 117.51 121.39 3kdy h ILE 128 Ca -0.00 -0.76 -0.10 0.00 -0.39 0.00 0.00 64.86 63.61 3kdy h ILE 128 Cb 0.02 1.43 -0.01 0.00 -3.07 0.00 0.00 36.82 35.19 3kdy h ILE 128 CO 0.00 0.22 -0.49 -0.07 -0.69 0.00 0.00 178.15 177.13 3kdy h LEU 129 N 0.03 0.00 -0.26 1.44 4.07 -1.39 -1.63 115.31 117.57 3kdy h LEU 129 Ca 0.05 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.80 3kdy h LEU 129 Cb 0.33 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.07 3kdy h LEU 129 CO 0.00 0.49 -0.83 -0.33 -1.08 0.00 0.00 178.44 176.70 3kdy h GLU 130 N 0.00 0.50 -0.25 1.13 5.08 -0.97 -0.33 114.58 119.74 3kdy h GLU 130 Ca -0.00 -0.46 -0.17 0.00 -1.00 0.00 0.00 59.36 57.73 3kdy h GLU 130 Cb 0.88 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 3kdy h GLU 130 CO 0.06 1.09 -0.52 -0.09 -1.00 0.00 0.00 179.01 178.55 3kdy h ARG 131 N 0.32 0.72 -0.03 2.33 9.65 0.02 -1.86 114.38 125.53 3kdy h ARG 131 Ca -0.06 -0.44 -0.06 0.00 -1.10 0.00 0.00 59.98 58.33 3kdy h ARG 131 Cb 1.44 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 30.07 3kdy h ARG 131 CO 0.15 1.06 -0.21 -0.07 2.80 0.00 0.00 179.97 183.71 3kdy h LEU 132 N 0.56 0.24 -2.15 3.80 3.38 -1.32 -2.61 115.31 117.21 3kdy h LEU 132 Ca 0.02 -0.68 0.01 0.00 0.09 0.00 0.00 57.88 57.31 3kdy h LEU 132 Cb 1.09 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 3kdy h LEU 132 CO 0.11 0.88 0.02 0.00 0.09 0.00 0.00 178.44 179.54 3kdy h ALA 133 N 0.36 1.87 0.35 1.53 0.00 -1.09 -2.88 119.26 119.40 3kdy h ALA 133 Ca -0.02 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3kdy h ALA 133 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3kdy h ALA 133 CO 0.04 -0.03 -0.17 0.37 0.00 0.00 0.00 179.25 179.46 3kdy h GLN 134 N 0.00 -0.45 -0.82 0.00 4.15 -1.31 -3.08 115.11 113.60 3kdy h GLN 134 Ca 0.01 0.03 0.17 0.00 0.77 0.00 0.00 58.65 59.63 3kdy h GLN 134 Cb 0.05 0.10 -0.16 0.00 0.21 0.00 0.00 27.48 27.69 3kdy h GLN 134 CO -0.00 -0.30 -0.19 0.66 -1.93 0.00 0.00 178.83 177.07 3kdy n TYR 135 N -4.54 0.31 -0.03 3.99 4.02 -0.99 0.16 117.16 120.08 3kdy n TYR 135 Ca -0.06 1.01 0.00 0.00 -0.01 0.00 0.00 57.90 58.84 3kdy n TYR 135 Cb 0.19 -0.99 0.30 0.00 -0.02 0.00 0.00 39.34 38.82 3kdy n TYR 135 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 3kdy h LEU 136 N 0.00 0.55 0.00 7.72 3.38 -1.60 -1.44 115.31 123.92 3kdy h LEU 136 Ca 0.40 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3kdy h LEU 136 Cb 0.63 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3kdy h LEU 136 CO -0.84 0.56 -0.38 0.59 0.09 0.00 0.00 178.44 178.45 3kdy n ASN 137 N -4.32 0.75 -1.00 -0.43 5.03 0.41 -3.95 115.26 111.76 3kdy n ASN 137 Ca 0.02 0.30 -0.01 0.00 0.87 0.00 0.00 54.58 55.77 3kdy n ASN 137 Cb 0.20 -0.21 0.20 0.00 -1.02 0.00 0.00 39.78 38.95 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 -2.17 1.90 -3.01 3.52 1.02 0.41 -4.98 120.64 117.34 3kdy n GLU 138 Ca 0.04 -3.13 -0.18 0.00 -0.02 0.00 0.00 57.16 53.87 3kdy n GLU 138 Cb 0.44 -1.78 -0.00 0.00 -0.02 0.00 0.00 31.44 30.08 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 -1.07 -0.49 3.23 0.62 0.00 -1.08 -4.93 105.19 101.48 3kdy n GLY 139 Ca 0.29 0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 3kdy n GLY 139 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kdy s ILE 140 N -2.79 4.69 -0.16 -0.61 1.10 -0.58 -5.06 121.20 117.79 3kdy s ILE 140 Ca 0.25 -2.30 -0.09 0.00 -0.51 0.00 0.00 60.65 57.99 3kdy s ILE 140 Cb -0.13 -3.99 -0.05 0.00 0.15 0.00 0.00 42.46 38.44 3kdy s ILE 140 CO 0.30 -0.90 0.16 -0.89 -2.11 0.00 0.00 174.94 171.50 3kdy s THR 141 N 0.59 5.42 0.66 4.00 2.01 -1.26 -4.54 115.64 122.52 3kdy s THR 141 Ca 0.13 0.26 -0.11 0.00 0.31 0.00 0.00 61.69 62.27 3kdy s THR 141 Cb -0.19 -3.47 -0.01 0.00 0.01 0.00 0.00 72.50 68.83 3kdy s THR 141 CO -0.04 0.50 1.05 -2.84 -0.69 0.00 0.00 174.62 172.60 3kdy s PRO 142 N -0.18 3.25 -0.64 4.92 0.02 -1.26 0.11 135.00 141.22 3kdy s PRO 142 Ca 0.12 0.82 -0.20 0.00 0.02 0.00 0.00 61.00 61.75 3kdy s PRO 142 Cb -0.12 -2.03 0.09 0.00 0.02 0.00 0.00 34.50 32.46 3kdy s PRO 142 CO 0.01 -0.84 0.84 0.00 -0.33 0.00 0.00 177.00 176.68 3kdy s ALA 143 N -3.13 3.29 -0.33 -1.55 0.00 -0.00 -3.93 121.76 116.10 3kdy s ALA 143 Ca 0.57 -2.11 -0.11 0.00 0.00 0.00 0.00 51.96 50.30 3kdy s ALA 143 Cb -0.12 -3.70 -0.01 0.00 0.00 0.00 0.00 23.12 19.29 3kdy s ALA 143 CO 0.54 -2.57 0.20 0.42 0.00 0.00 0.00 175.76 174.36 3kdy s ILE 144 N 3.24 4.95 0.16 0.00 1.01 -1.26 -4.79 121.20 124.52 3kdy s ILE 144 Ca 0.17 -0.36 -0.30 0.00 0.00 0.00 0.00 60.65 60.16 3kdy s ILE 144 Cb -0.20 -3.56 -0.08 0.00 0.01 0.00 0.00 42.46 38.63 3kdy s ILE 144 CO 0.07 -0.01 1.21 -2.84 0.00 0.00 0.00 174.94 173.37 3kdy s PRO 145 N 1.66 4.47 0.37 2.79 0.02 -1.26 0.14 135.00 143.20 3kdy s PRO 145 Ca 0.05 1.88 0.07 0.00 0.02 0.00 0.00 61.00 63.02 3kdy s PRO 145 Cb -0.17 -3.25 0.74 0.00 0.02 0.00 0.00 34.50 31.83 3kdy s PRO 145 CO 0.08 -0.13 1.92 0.93 -0.33 0.00 0.00 177.00 179.47 3kdy h GLU 146 N 5.55 0.37 -6.24 5.54 5.08 -0.10 -3.43 114.58 121.36 3kdy h GLU 146 Ca -0.44 -0.07 -0.67 0.00 -1.00 0.00 0.00 59.36 57.18 3kdy h GLU 146 Cb 1.21 -0.06 -0.15 0.00 0.50 0.00 0.00 28.75 30.26 3kdy h GLU 146 CO 0.76 0.43 -0.67 0.42 -1.00 0.00 0.00 179.01 178.95 3kdy s ILE 147 N -4.92 3.91 0.00 3.13 1.01 -0.15 -4.71 121.20 119.47 3kdy s ILE 147 Ca -0.07 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 59.85 3kdy s ILE 147 Cb 0.16 -2.74 0.00 0.00 0.01 0.00 0.00 42.46 39.89 3kdy s ILE 147 CO 0.74 0.35 0.00 0.61 0.00 0.00 0.00 174.94 176.64 3kdy n GLY 148 N 1.36 1.09 3.76 6.18 0.00 -1.26 -0.74 105.19 115.58 3kdy n GLY 148 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 3kdy n GLY 148 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kdy s SER 149 N 0.00 7.53 0.00 1.61 0.15 -1.26 -4.57 113.70 117.16 3kdy s SER 149 Ca 0.00 1.81 0.16 0.00 0.70 0.00 0.00 55.95 58.62 3kdy s SER 149 Cb 0.00 -2.56 0.12 0.00 -1.71 0.00 0.00 66.02 61.87 3kdy s SER 149 CO 0.00 0.15 1.01 0.18 1.20 0.00 0.00 173.24 175.78 3kdy n LEU 150 N 1.69 2.32 -2.21 3.45 4.77 -1.26 -4.79 117.00 120.96 3kdy n LEU 150 Ca -0.03 -0.99 -0.02 0.00 -0.03 0.00 0.00 56.01 54.94 3kdy n LEU 150 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3kdy n LEU 150 CO 0.49 0.41 -0.13 0.61 -1.33 0.00 0.00 177.39 177.43 3kdy n GLY 151 N 0.93 -2.44 2.20 -0.72 0.00 -1.26 0.44 105.19 104.34 3kdy n GLY 151 Ca 0.09 0.38 -0.23 0.00 0.00 0.00 0.00 46.02 46.27 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 0.03 0.44 0.08 1.61 8.00 -0.00 -2.47 116.55 124.24 3kdy n ASP 155 Ca 0.03 -2.79 -0.05 0.00 0.71 0.00 0.00 54.79 52.70 3kdy n ASP 155 Cb 0.12 -0.64 -0.03 0.00 -0.02 0.00 0.00 41.12 40.56 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 3.79 -0.37 -0.08 0.64 3.38 -1.82 -2.20 115.31 118.64 3kdy h LEU 156 Ca 0.08 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.10 3kdy h LEU 156 Cb 0.89 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 3kdy h LEU 156 CO 0.48 -0.18 -0.34 0.00 0.09 0.00 0.00 178.44 178.49 3kdy h ALA 157 N -1.54 -0.72 -0.82 1.53 0.00 -1.81 0.93 119.26 116.84 3kdy h ALA 157 Ca -0.02 -0.04 0.20 0.00 0.00 0.00 0.00 54.91 55.05 3kdy h ALA 157 Cb 0.24 0.84 -0.13 0.00 0.00 0.00 0.00 17.79 18.74 3kdy h ALA 157 CO -0.01 -0.84 0.19 -1.00 0.00 0.00 0.00 179.25 177.59 3kdy h PRO 158 N -0.36 0.22 0.00 0.00 0.13 -1.83 0.46 132.00 130.62 3kdy h PRO 158 Ca 0.02 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 3kdy h PRO 158 Cb 0.42 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.50 3kdy h PRO 158 CO -0.27 0.15 0.00 -0.07 -0.23 0.00 0.00 178.00 177.58 3kdy h LEU 159 N 0.23 0.00 -1.14 1.56 3.38 -0.82 -3.08 115.31 115.45 3kdy h LEU 159 Ca 0.49 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.39 3kdy h LEU 159 Cb 0.91 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 3kdy h LEU 159 CO -0.60 0.00 -0.30 0.28 0.09 0.00 0.00 178.44 177.91 3kdy h SER 160 N 0.00 0.00 0.17 -0.43 0.02 0.56 -1.54 113.55 112.34 3kdy h SER 160 Ca 0.00 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.64 3kdy h SER 160 Cb 0.91 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.48 3kdy h SER 160 CO 0.00 0.30 -1.30 0.45 -1.14 0.00 0.00 176.83 175.14 3kdy h HIS 161 N 0.00 0.98 -0.07 3.45 3.86 -1.26 -2.27 115.15 119.84 3kdy h HIS 161 Ca -0.00 -0.66 -0.07 0.00 -1.16 0.00 0.00 60.37 58.48 3kdy h HIS 161 Cb 0.76 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.16 3kdy h HIS 161 CO 0.00 1.50 -0.29 0.28 0.86 0.00 0.00 177.93 180.28 3kdy h VAL 162 N 0.18 1.24 0.00 2.45 2.07 -1.53 -2.04 116.25 118.62 3kdy h VAL 162 Ca -0.21 -1.14 -0.09 0.00 0.82 0.00 0.00 66.70 66.08 3kdy h VAL 162 Cb 1.99 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 33.27 3kdy h VAL 162 CO 0.25 0.34 -0.42 0.00 0.02 0.00 0.00 177.57 177.75 3kdy h ALA 163 N 1.58 0.77 -0.50 1.67 0.00 -1.31 -3.25 119.26 118.23 3kdy h ALA 163 Ca 0.02 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.43 3kdy h ALA 163 Cb 0.59 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3kdy h ALA 163 CO 0.04 0.53 -0.11 1.03 0.00 0.00 0.00 179.25 180.74 3kdy h SER 164 N 0.00 0.96 0.28 0.00 0.87 -0.75 -2.94 113.55 111.97 3kdy h SER 164 Ca -0.00 -0.36 -0.06 0.00 -1.23 0.00 0.00 61.79 60.14 3kdy h SER 164 Cb 1.23 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.92 3kdy h SER 164 CO 0.05 1.09 -0.26 0.71 -0.53 0.00 0.00 176.83 177.90 3kdy h THR 165 N 0.82 1.16 -0.06 2.23 1.35 -1.15 0.70 112.91 117.96 3kdy h THR 165 Ca 0.13 -0.91 -0.10 0.00 -0.55 0.00 0.00 66.41 64.97 3kdy h THR 165 Cb 0.67 1.49 -0.01 0.00 -1.73 0.00 0.00 68.15 68.57 3kdy h THR 165 CO 0.05 0.26 -0.44 -0.07 -0.25 0.00 0.00 175.52 175.06 3kdy h LEU 166 N 0.00 0.13 -2.81 3.87 3.38 -1.58 -2.14 115.31 116.16 3kdy h LEU 166 Ca -0.00 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 3kdy h LEU 166 Cb 0.47 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 3kdy h LEU 166 CO 0.03 0.57 0.11 2.30 0.09 0.00 0.00 178.44 181.54 3kdy n ILE 167 N -4.00 1.95 -1.69 1.22 -5.35 -0.96 -2.30 119.36 108.22 3kdy n ILE 167 Ca -0.02 -0.98 -0.16 0.00 -0.27 0.00 0.00 62.75 61.32 3kdy n ILE 167 Cb 0.49 -0.44 -0.05 0.00 -1.74 0.00 0.00 39.64 37.89 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 0.14 1.11 3.79 3.28 0.00 -0.80 -4.59 105.19 108.12 3kdy n GLY 168 Ca 0.23 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 3kdy n GLY 168 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kdy s GLU 169 N -3.75 2.21 2.56 1.61 2.02 0.24 -3.76 118.70 119.84 3kdy s GLU 169 Ca 0.00 -2.33 0.00 0.00 0.02 0.00 0.00 54.97 52.66 3kdy s GLU 169 Cb 0.00 -1.64 0.00 0.00 0.10 0.00 0.00 34.13 32.59 3kdy s GLU 169 CO 0.00 -0.41 0.00 0.41 0.02 0.00 0.00 175.26 175.28 3kdy n GLY 170 N -1.36 -0.22 3.39 -1.39 0.00 -1.26 -1.84 105.19 102.50 3kdy n GLY 170 Ca -0.16 -1.05 -0.25 0.00 0.00 0.00 0.00 46.02 44.55 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 2.13 0.11 1.61 1.51 -1.26 -1.17 117.35 120.28 3kdy s TYR 171 Ca 0.00 -0.39 0.08 0.00 -1.01 0.00 0.00 57.07 55.74 3kdy s TYR 171 Cb 0.00 -1.07 -0.04 0.00 -0.11 0.00 0.00 41.96 40.74 3kdy s TYR 171 CO 0.00 0.42 -0.12 0.14 -1.11 0.00 0.00 175.55 174.88 3kdy s VAL 172 N -1.69 3.25 -0.19 0.71 -7.23 -0.78 -0.82 120.40 113.64 3kdy s VAL 172 Ca 0.18 -1.33 -0.29 0.00 -1.81 0.00 0.00 61.98 58.73 3kdy s VAL 172 Cb -0.08 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.33 3kdy s VAL 172 CO 0.08 0.10 1.37 -0.22 -0.31 0.00 0.00 175.10 176.13 3kdy s LEU 173 N -2.20 4.08 -0.13 1.32 2.96 0.31 -1.84 118.68 123.18 3kdy s LEU 173 Ca 0.21 1.63 -0.01 0.00 -0.22 0.00 0.00 54.13 55.73 3kdy s LEU 173 Cb -0.11 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.08 3kdy s LEU 173 CO 0.13 -0.93 -0.03 -0.13 -1.32 0.00 0.00 176.35 174.07 3kdy s ARG 174 N 3.89 1.09 -1.49 1.98 1.81 0.48 -4.60 118.95 122.11 3kdy s ARG 174 Ca 0.60 -0.26 -0.03 0.00 -1.72 0.00 0.00 55.73 54.31 3kdy s ARG 174 Cb -0.22 -1.64 0.00 0.00 -0.45 0.00 0.00 34.95 32.65 3kdy s ARG 174 CO 0.20 -0.39 0.06 -0.25 -0.68 0.00 0.00 175.30 174.24 3kdy n ASP 175 N 5.00 0.50 0.00 0.23 9.92 -1.26 0.56 116.55 131.50 3kdy n ASP 175 Ca -0.10 -1.26 0.00 0.00 -0.53 0.00 0.00 54.79 52.90 3kdy n ASP 175 Cb 0.49 -1.56 0.00 0.00 -0.64 0.00 0.00 41.12 39.41 3kdy n ASP 175 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3kdy n GLY 176 N -2.52 2.72 3.87 0.44 0.00 -1.26 -4.99 105.19 103.45 3kdy n GLY 176 Ca -0.30 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.04 2.79 0.32 1.61 0.52 0.19 -5.01 118.95 119.34 3kdy s ARG 177 Ca 0.00 -1.24 0.00 0.00 -0.52 0.00 0.00 55.73 53.97 3kdy s ARG 177 Cb 0.00 -2.53 -0.03 0.00 0.52 0.00 0.00 34.95 32.90 3kdy s ARG 177 CO 0.00 0.11 0.52 -1.25 0.02 0.00 0.00 175.30 174.70 3kdy s PRO 178 N -4.01 3.50 -0.21 3.54 0.04 -1.26 0.18 135.00 136.78 3kdy s PRO 178 Ca 0.41 -0.33 -0.12 0.00 0.04 0.00 0.00 61.00 61.00 3kdy s PRO 178 Cb -0.06 -2.69 0.07 0.00 0.04 0.00 0.00 34.50 31.85 3kdy s PRO 178 CO 0.27 0.19 0.50 0.14 0.04 0.00 0.00 177.00 178.15 3kdy s VAL 179 N -2.24 -0.02 -0.15 -0.36 -7.23 -0.77 -4.85 120.40 104.79 3kdy s VAL 179 Ca 0.40 0.06 -0.27 0.00 -1.81 0.00 0.00 61.98 60.36 3kdy s VAL 179 Cb -0.10 -0.74 -0.12 0.00 0.56 0.00 0.00 36.38 35.98 3kdy s VAL 179 CO 0.34 0.02 0.82 -0.62 -0.31 0.00 0.00 175.10 175.36 3kdy n GLU 180 N 4.23 0.00 0.26 4.82 1.02 -1.26 -1.86 120.64 127.85 3kdy n GLU 180 Ca -0.22 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.02 3kdy n GLU 180 Cb 0.56 -0.93 0.69 0.00 -0.02 0.00 0.00 31.44 31.75 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 2.46 0.84 -0.82 2.62 2.02 -1.38 -2.58 112.91 116.07 3kdy h THR 181 Ca -0.30 -0.25 0.02 0.00 0.77 0.00 0.00 66.41 66.65 3kdy h THR 181 Cb 0.87 1.14 -0.04 0.00 -1.74 0.00 0.00 68.15 68.38 3kdy h THR 181 CO 0.50 0.07 0.54 0.00 0.37 0.00 0.00 175.52 177.00 3kdy h ALA 182 N 1.93 1.45 -0.09 6.16 0.00 -1.83 -1.32 119.26 125.56 3kdy h ALA 182 Ca -0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3kdy h ALA 182 Cb 0.14 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3kdy h ALA 182 CO 0.01 0.49 -0.17 1.96 0.00 0.00 0.00 179.25 181.54 3kdy h GLN 183 N 1.07 0.27 -0.49 0.00 4.20 -1.80 -3.22 115.11 115.13 3kdy h GLN 183 Ca 0.31 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 3kdy h GLN 183 Cb -0.06 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 3kdy h GLN 183 CO -0.08 0.76 0.17 0.28 -0.67 0.00 0.00 178.83 179.29 3kdy h VAL 184 N -0.19 1.22 0.17 -0.54 2.07 -1.50 -1.72 116.25 115.76 3kdy h VAL 184 Ca 0.00 -0.72 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 3kdy h VAL 184 Cb 0.75 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 3kdy h VAL 184 CO 0.04 0.27 -0.18 -0.07 0.02 0.00 0.00 177.57 177.64 3kdy h LEU 185 N 0.65 -0.50 -2.15 2.57 3.38 -1.35 -0.78 115.31 117.14 3kdy h LEU 185 Ca 0.16 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3kdy h LEU 185 Cb 0.24 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3kdy h LEU 185 CO -0.01 -0.24 0.15 0.00 0.09 0.00 0.00 178.44 178.44 3kdy h ALA 186 N -1.44 1.14 -0.26 1.53 0.00 -1.56 0.57 119.26 119.25 3kdy h ALA 186 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kdy h ALA 186 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3kdy h ALA 186 CO -0.03 -0.14 0.00 -1.91 0.00 0.00 0.00 179.25 177.17 3kdy n GLU 187 N -2.76 1.90 0.00 0.00 2.13 -0.34 -3.68 120.64 117.89 3kdy n GLU 187 Ca -0.02 -1.06 0.00 0.00 0.66 0.00 0.00 57.16 56.74 3kdy n GLU 187 Cb 0.21 -1.40 0.00 0.00 0.27 0.00 0.00 31.44 30.52 3kdy n GLU 187 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3kdy n ARG 188 N 0.29 3.09 0.00 5.31 1.74 0.19 -4.98 116.66 122.30 3kdy n ARG 188 Ca 0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 3kdy n ARG 188 Cb 0.35 -0.27 0.00 0.00 -1.02 0.00 0.00 32.46 31.52 3kdy n ARG 188 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kdy n GLY 189 N 0.06 1.06 3.66 -0.13 0.00 -0.69 -5.10 105.19 104.04 3kdy n GLY 189 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 3.79 -0.05 -0.61 1.01 -1.01 -5.00 121.20 117.33 3kdy s ILE 190 Ca 0.00 -1.22 0.05 0.00 0.00 0.00 0.00 60.65 59.48 3kdy s ILE 190 Cb 0.00 -2.85 -0.01 0.00 0.01 0.00 0.00 42.46 39.61 3kdy s ILE 190 CO 0.00 0.01 -0.22 -1.61 0.00 0.00 0.00 174.94 173.13 3kdy s GLU 191 N -2.59 2.25 0.78 2.79 8.01 -1.26 -3.33 118.70 125.35 3kdy s GLU 191 Ca 0.26 -0.78 -0.17 0.00 0.01 0.00 0.00 54.97 54.28 3kdy s GLU 191 Cb -0.11 -1.91 -0.15 0.00 -4.31 0.00 0.00 34.13 27.65 3kdy s GLU 191 CO 0.18 0.31 -0.50 -2.30 0.01 0.00 0.00 175.26 172.96 3kdy n PRO 192 N 3.06 0.00 -3.26 0.39 -0.02 -1.26 -4.98 135.00 128.93 3kdy n PRO 192 Ca -0.18 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.11 3kdy n PRO 192 Cb 0.52 -1.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.01 3kdy n PRO 192 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3kdy s LEU 193 N 6.67 3.43 -0.13 2.45 1.43 -0.97 -4.92 118.68 126.65 3kdy s LEU 193 Ca 0.47 -0.64 0.02 0.00 -1.03 0.00 0.00 54.13 52.95 3kdy s LEU 193 Cb -0.32 -2.22 -0.00 0.00 0.03 0.00 0.00 46.19 43.68 3kdy s LEU 193 CO 0.75 -0.82 -0.20 -0.70 0.23 0.00 0.00 176.35 175.61 3kdy s GLU 194 N -4.31 3.15 -0.29 1.70 2.12 -1.26 -4.62 118.70 115.18 3kdy s GLU 194 Ca 0.52 -0.81 -0.26 0.00 0.36 0.00 0.00 54.97 54.78 3kdy s GLU 194 Cb -0.07 -2.46 0.01 0.00 0.26 0.00 0.00 34.13 31.87 3kdy s GLU 194 CO 0.31 0.11 0.91 -0.51 -0.54 0.00 0.00 175.26 175.55 3kdy s LEU 195 N 0.54 4.04 0.00 2.70 1.43 -1.26 -5.05 118.68 121.08 3kdy s LEU 195 Ca -0.12 0.94 0.00 0.00 -1.03 0.00 0.00 54.13 53.91 3kdy s LEU 195 Cb -0.17 -3.29 0.00 0.00 0.03 0.00 0.00 46.19 42.76 3kdy s LEU 195 CO 0.04 -0.68 0.00 0.54 0.23 0.00 0.00 176.35 176.48 3kdy n ARG 196 N 6.38 0.58 -1.75 1.70 5.12 -1.26 -4.21 116.66 123.22 3kdy n ARG 196 Ca 0.08 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.58 3kdy n ARG 196 Cb 0.47 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.76 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 -1.41 2.91 -0.83 -1.55 3.72 -1.26 -1.65 117.46 117.38 3kdy n PHE 197 Ca 0.00 0.24 0.00 0.00 -0.05 0.00 0.00 57.45 57.64 3kdy n PHE 197 Cb 0.00 -2.61 0.00 0.00 -0.94 0.00 0.00 39.48 35.93 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 2.14 -0.58 0.04 -1.08 4.81 -1.26 -4.85 118.16 117.36 3kdy n LYS 198 Ca 0.08 0.15 -0.14 0.00 -0.87 0.00 0.00 58.31 57.53 3kdy n LYS 198 Cb 0.37 -4.00 -0.04 0.00 0.02 0.00 0.00 35.03 31.38 3kdy n LYS 198 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3kdy h GLU 199 N 0.76 0.53 0.12 1.64 5.08 -1.66 -2.58 114.58 118.47 3kdy h GLU 199 Ca 0.00 -0.50 -0.29 0.00 -1.00 0.00 0.00 59.36 57.57 3kdy h GLU 199 Cb 0.29 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 3kdy h GLU 199 CO 0.00 1.13 -1.39 0.78 -1.00 0.00 0.00 179.01 178.53 3kdy h GLY 200 N 0.99 0.29 1.56 -3.84 0.00 -1.79 -3.18 103.07 97.11 3kdy h GLY 200 Ca -0.07 -0.75 -0.18 0.00 0.00 0.00 0.00 47.33 46.33 3kdy h GLY 200 CO 0.16 0.66 -0.72 -2.00 0.00 0.00 0.00 176.54 174.63 3kdy h LEU 201 N 0.07 0.51 -0.97 3.11 5.85 -1.87 -3.01 115.31 119.00 3kdy h LEU 201 Ca -0.19 -0.33 -0.09 0.00 0.84 0.00 0.00 57.88 58.11 3kdy h LEU 201 Cb 1.99 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.86 3kdy h LEU 201 CO 0.18 1.07 -0.42 0.00 -0.34 0.00 0.00 178.44 178.93 3kdy h ALA 202 N 0.92 1.04 0.01 1.25 0.00 -1.58 0.13 119.26 121.04 3kdy h ALA 202 Ca -0.03 -0.39 -0.20 0.00 0.00 0.00 0.00 54.91 54.30 3kdy h ALA 202 Cb 1.30 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 3kdy h ALA 202 CO 0.13 0.53 -0.94 -0.07 0.00 0.00 0.00 179.25 178.89 3kdy h LEU 203 N 0.00 0.03 0.00 0.00 3.38 -1.51 -3.36 115.31 113.85 3kdy h LEU 203 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3kdy h LEU 203 Cb 0.90 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3kdy h LEU 203 CO 0.06 0.95 -0.52 2.30 0.09 0.00 0.00 178.44 181.32 3kdy n ILE 204 N -3.45 0.00 -2.39 1.22 -5.35 -1.14 -4.79 119.36 103.45 3kdy n ILE 204 Ca -0.01 -0.26 -0.42 0.00 -0.27 0.00 0.00 62.75 61.79 3kdy n ILE 204 Cb 0.88 0.97 0.00 0.00 -1.74 0.00 0.00 39.64 39.76 3kdy n ILE 204 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3kdy n ASN 205 N -1.26 5.67 -2.62 7.28 5.15 0.46 -3.96 115.26 125.98 3kdy n ASN 205 Ca 0.02 -3.17 -0.06 0.00 -0.60 0.00 0.00 54.58 50.77 3kdy n ASN 205 Cb 0.16 -1.43 0.02 0.00 -0.53 0.00 0.00 39.78 38.01 3kdy n ASN 205 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kdy n GLY 206 N 2.40 1.00 2.18 8.20 0.00 -1.25 -3.87 105.19 113.85 3kdy n GLY 206 Ca 0.41 -1.18 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 3kdy n GLY 206 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kdy n THR 207 N -0.50 3.16 0.02 2.61 -2.24 -1.26 -0.82 114.28 115.25 3kdy n THR 207 Ca -0.05 -3.45 -0.05 0.00 -2.27 0.00 0.00 64.05 58.23 3kdy n THR 207 Cb 0.48 -1.13 0.17 0.00 -2.10 0.00 0.00 70.33 67.75 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 2.05 0.48 0.70 3.42 0.02 -1.91 -1.91 113.55 116.40 3kdy h SER 208 Ca 0.50 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 61.23 3kdy h SER 208 Cb 1.15 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.55 3kdy h SER 208 CO 1.22 0.79 -0.43 1.23 -1.14 0.00 0.00 176.83 178.51 3kdy h GLY 209 N 1.08 -1.21 1.51 -3.77 0.00 -1.88 0.34 103.07 99.14 3kdy h GLY 209 Ca 0.04 0.49 -0.10 0.00 0.00 0.00 0.00 47.33 47.77 3kdy h GLY 209 CO 0.06 -0.41 -0.23 0.00 0.00 0.00 0.00 176.54 175.96 3kdy h MET 210 N -1.06 0.58 -0.15 4.80 -0.00 -1.88 -0.58 114.93 116.64 3kdy h MET 210 Ca -0.09 -0.22 -0.06 0.00 -0.00 0.00 0.00 59.70 59.33 3kdy h MET 210 Cb 0.84 -0.03 -0.00 0.00 -0.00 0.00 0.00 31.60 32.41 3kdy h MET 210 CO 0.10 0.76 -0.14 1.15 -0.00 0.00 0.00 176.91 178.78 3kdy h THR 211 N 0.51 1.34 -0.36 -0.10 2.02 -1.31 0.28 112.91 115.30 3kdy h THR 211 Ca 0.08 -1.29 -0.07 0.00 0.77 0.00 0.00 66.41 65.89 3kdy h THR 211 Cb 0.67 1.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.93 3kdy h THR 211 CO 0.05 0.38 -0.06 1.23 0.37 0.00 0.00 175.52 177.49 3kdy h GLY 212 N -0.01 0.72 0.84 2.16 0.00 -0.28 -0.80 103.07 105.71 3kdy h GLY 212 Ca 0.02 -0.58 -0.07 0.00 0.00 0.00 0.00 47.33 46.71 3kdy h GLY 212 CO 0.04 0.53 -0.11 -2.00 0.00 0.00 0.00 176.54 175.00 3kdy h LEU 213 N 0.47 0.51 -0.99 3.11 5.85 -1.13 -3.10 115.31 120.02 3kdy h LEU 213 Ca 0.09 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3kdy h LEU 213 Cb 0.55 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 3kdy h LEU 213 CO 0.03 0.80 0.62 1.23 -0.34 0.00 0.00 178.44 180.78 3kdy h GLY 214 N 0.21 1.40 0.26 3.75 0.00 -0.42 -2.27 103.07 106.00 3kdy h GLY 214 Ca 0.05 -0.55 0.05 0.00 0.00 0.00 0.00 47.33 46.89 3kdy h GLY 214 CO 0.03 0.54 -0.23 1.76 0.00 0.00 0.00 176.54 178.64 3kdy h SER 215 N 1.34 -0.71 -0.18 0.19 0.02 -1.07 0.29 113.55 113.42 3kdy h SER 215 Ca 0.36 0.12 0.01 0.00 -0.84 0.00 0.00 61.79 61.44 3kdy h SER 215 Cb -0.11 0.33 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 3kdy h SER 215 CO -0.07 -0.27 0.10 -0.07 -1.14 0.00 0.00 176.83 175.37 3kdy h LEU 216 N -0.26 0.15 0.57 5.07 3.38 -1.46 -0.80 115.31 121.96 3kdy h LEU 216 Ca 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3kdy h LEU 216 Cb 0.44 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3kdy h LEU 216 CO -0.33 0.12 -0.46 0.58 0.09 0.00 0.00 178.44 178.44 3kdy h VAL 217 N 0.21 0.09 -0.88 1.22 2.07 -0.80 0.23 116.25 118.39 3kdy h VAL 217 Ca 0.07 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.69 3kdy h VAL 217 Cb 0.01 0.09 -0.08 0.00 -1.52 0.00 0.00 31.29 29.79 3kdy h VAL 217 CO -0.04 0.00 0.53 0.58 0.02 0.00 0.00 177.57 178.65 3kdy h VAL 218 N -1.00 0.93 -0.45 2.57 2.07 -0.43 0.90 116.25 120.83 3kdy h VAL 218 Ca -0.07 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 3kdy h VAL 218 Cb 0.85 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3kdy h VAL 218 CO 0.00 0.16 0.23 1.23 0.02 0.00 0.00 177.57 179.21 3kdy h GLY 219 N 0.88 0.69 2.00 2.17 0.00 -0.78 -1.52 103.07 106.51 3kdy h GLY 219 Ca 0.42 -0.33 -0.13 0.00 0.00 0.00 0.00 47.33 47.29 3kdy h GLY 219 CO -0.24 0.32 -0.62 3.21 0.00 0.00 0.00 176.54 179.21 3kdy h ARG 220 N 0.59 0.00 -0.53 4.80 3.08 0.52 -3.11 114.38 119.72 3kdy h ARG 220 Ca 0.16 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 3kdy h ARG 220 Cb 0.10 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 3kdy h ARG 220 CO -0.02 0.62 0.20 0.00 -1.07 0.00 0.00 179.97 179.70 3kdy h ALA 221 N 1.38 0.70 -0.93 0.04 0.00 0.12 -1.76 119.26 118.81 3kdy h ALA 221 Ca -0.01 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.78 3kdy h ALA 221 Cb 1.10 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 3kdy h ALA 221 CO 0.08 0.32 0.61 -0.07 0.00 0.00 0.00 179.25 180.18 3kdy h LEU 222 N 0.73 0.98 -0.44 0.00 3.38 -1.22 -0.89 115.31 117.85 3kdy h LEU 222 Ca 0.18 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 58.00 3kdy h LEU 222 Cb 0.22 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3kdy h LEU 222 CO -0.01 0.66 -0.27 -0.33 0.09 0.00 0.00 178.44 178.58 3kdy h GLU 223 N 1.14 0.96 -0.50 1.13 5.08 -1.50 -2.00 114.58 118.87 3kdy h GLU 223 Ca 0.38 -0.44 0.07 0.00 -1.00 0.00 0.00 59.36 58.36 3kdy h GLU 223 Cb 0.06 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.24 3kdy h GLU 223 CO -0.12 1.11 0.19 0.37 -1.00 0.00 0.00 179.01 179.55 3kdy h GLN 224 N 0.79 0.36 -0.89 2.33 4.15 -0.40 1.10 115.11 122.56 3kdy h GLN 224 Ca 0.09 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.52 3kdy h GLN 224 Cb 0.86 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.41 3kdy h GLN 224 CO 0.08 0.24 0.58 0.00 -1.93 0.00 0.00 178.83 177.80 3kdy h ALA 225 N 1.33 1.17 -0.52 3.38 0.00 -1.02 1.73 119.26 125.32 3kdy h ALA 225 Ca 0.24 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 3kdy h ALA 225 Cb 0.25 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3kdy h ALA 225 CO -0.24 0.45 -0.12 1.96 0.00 0.00 0.00 179.25 181.31 3kdy h GLN 226 N 1.14 1.00 0.00 0.00 4.20 -0.25 -0.98 115.11 120.22 3kdy h GLN 226 Ca 0.35 -0.38 -0.10 0.00 0.06 0.00 0.00 58.65 58.58 3kdy h GLN 226 Cb -0.02 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3kdy h GLN 226 CO -0.11 1.06 -0.47 1.96 -0.67 0.00 0.00 178.83 180.60 3kdy h GLN 227 N 0.86 0.00 -0.42 1.46 4.20 0.20 -0.71 115.11 120.71 3kdy h GLN 227 Ca 0.13 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.71 3kdy h GLN 227 Cb 0.69 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 3kdy h GLN 227 CO 0.05 0.47 -0.24 0.00 -0.67 0.00 0.00 178.83 178.44 3kdy h ALA 228 N 1.53 0.59 -0.17 3.87 0.00 0.28 -2.72 119.26 122.64 3kdy h ALA 228 Ca -0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 3kdy h ALA 228 Cb 1.25 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3kdy h ALA 228 CO 0.06 0.58 -0.48 0.93 0.00 0.00 0.00 179.25 180.34 3kdy h GLU 229 N 0.72 0.44 0.79 0.00 5.08 -1.04 -2.16 114.58 118.40 3kdy h GLU 229 Ca 0.09 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 3kdy h GLU 229 Cb 0.81 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 3kdy h GLU 229 CO 0.07 0.83 -0.49 0.82 -1.00 0.00 0.00 179.01 179.23 3kdy h ILE 230 N 0.35 0.00 -0.34 3.13 2.04 -0.96 -1.70 117.51 120.03 3kdy h ILE 230 Ca 0.02 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.81 3kdy h ILE 230 Cb 0.98 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 3kdy h ILE 230 CO 0.09 0.00 -0.08 1.62 0.00 0.00 0.00 178.15 179.78 3kdy h VAL 231 N -1.20 1.23 -0.91 1.67 3.04 -1.56 -2.41 116.25 116.11 3kdy h VAL 231 Ca -0.11 -0.98 0.08 0.00 -1.01 0.00 0.00 66.70 64.69 3kdy h VAL 231 Cb 0.97 1.05 -0.06 0.00 -2.01 0.00 0.00 31.29 31.24 3kdy h VAL 231 CO 0.10 0.33 0.59 0.74 -1.01 0.00 0.00 177.57 178.32 3kdy h THR 232 N 0.53 1.03 -0.41 3.17 2.02 -1.24 -0.02 112.91 117.98 3kdy h THR 232 Ca 0.10 -0.34 -0.11 0.00 0.77 0.00 0.00 66.41 66.84 3kdy h THR 232 Cb 0.46 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 3kdy h THR 232 CO 0.02 0.18 -0.16 0.00 0.37 0.00 0.00 175.52 175.93 3kdy h ALA 233 N 1.53 0.57 -0.53 6.16 0.00 -0.82 -1.46 119.26 124.71 3kdy h ALA 233 Ca 0.40 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3kdy h ALA 233 Cb 0.28 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3kdy h ALA 233 CO -0.16 0.51 0.34 1.25 0.00 0.00 0.00 179.25 181.19 3kdy h LEU 234 N 0.65 0.59 0.17 0.00 5.85 -0.96 -1.70 115.31 119.90 3kdy h LEU 234 Ca 0.10 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3kdy h LEU 234 Cb 0.71 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.60 3kdy h LEU 234 CO 0.05 0.42 -0.08 0.25 -0.34 0.00 0.00 178.44 178.74 3kdy h LEU 235 N 0.70 -0.19 -1.04 2.25 6.46 -0.94 0.65 115.31 123.19 3kdy h LEU 235 Ca 0.20 -0.09 0.14 0.00 -0.12 0.00 0.00 57.88 58.01 3kdy h LEU 235 Cb -0.06 0.05 -0.09 0.00 -0.73 0.00 0.00 40.66 39.83 3kdy h LEU 235 CO -0.05 -0.03 0.62 0.40 -0.62 0.00 0.00 178.44 178.76 3kdy h ILE 236 N -0.35 0.85 0.04 4.05 2.04 -1.08 0.71 117.51 123.76 3kdy h ILE 236 Ca -0.02 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 3kdy h ILE 236 Cb 0.27 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.22 3kdy h ILE 236 CO 0.04 0.16 -0.02 -0.33 0.00 0.00 0.00 178.15 178.00 3kdy h GLU 237 N 0.90 -0.05 0.00 2.37 5.08 -1.12 0.37 114.58 122.13 3kdy h GLU 237 Ca 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 3kdy h GLU 237 Cb 0.64 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.90 3kdy h GLU 237 CO -0.29 0.48 0.00 0.00 -1.00 0.00 0.00 179.01 178.19 3kdy h ALA 238 N 0.30 1.00 -0.01 3.43 0.00 -0.12 0.65 119.26 124.51 3kdy h ALA 238 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kdy h ALA 238 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3kdy h ALA 238 CO 0.01 0.00 -0.20 1.55 0.00 0.00 0.00 179.25 180.60 3kdy n VAL 239 N -2.37 0.00 -3.15 0.00 3.14 0.17 -4.87 118.33 111.26 3kdy n VAL 239 Ca -0.01 -0.40 -0.14 0.00 -2.96 0.00 0.00 64.34 60.82 3kdy n VAL 239 Cb 0.05 1.20 0.05 0.00 -1.06 0.00 0.00 33.84 34.08 3kdy n VAL 239 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3kdy n ARG 240 N 0.11 -4.88 -1.11 1.45 5.12 0.22 -5.01 116.66 112.56 3kdy n ARG 240 Ca 0.06 0.52 -0.30 0.00 -1.93 0.00 0.00 57.85 56.20 3kdy n ARG 240 Cb 0.31 -4.62 0.24 0.00 -1.16 0.00 0.00 32.46 27.24 3kdy n ARG 240 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3kdy s GLY 241 N -3.29 1.60 0.25 -0.13 0.00 0.12 -4.62 107.32 101.25 3kdy s GLY 241 Ca 0.32 -1.03 0.01 0.00 0.00 0.00 0.00 44.72 44.02 3kdy s GLY 241 CO 0.46 -0.12 0.43 -0.45 0.00 0.00 0.00 173.10 173.42 3kdy s SER 242 N -3.99 6.34 -0.08 1.64 0.15 -1.26 -2.81 113.70 113.68 3kdy s SER 242 Ca 0.72 0.31 0.20 0.00 0.70 0.00 0.00 55.95 57.88 3kdy s SER 242 Cb -0.08 -1.97 -0.28 0.00 -1.71 0.00 0.00 66.02 61.98 3kdy s SER 242 CO 0.56 -0.12 0.37 0.35 1.20 0.00 0.00 173.24 175.59 3kdy n THR 243 N -1.21 0.66 -0.29 6.45 -2.24 -1.17 -4.55 114.28 111.94 3kdy n THR 243 Ca -0.06 -0.66 0.03 0.00 -2.27 0.00 0.00 64.05 61.09 3kdy n THR 243 Cb 0.55 -0.26 0.08 0.00 -2.10 0.00 0.00 70.33 68.61 3kdy n THR 243 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3kdy n SER 244 N -2.52 -0.36 -0.27 3.42 2.88 -1.26 0.31 113.62 115.82 3kdy n SER 244 Ca -0.16 1.34 0.28 0.00 -1.33 0.00 0.00 58.87 59.01 3kdy n SER 244 Cb 0.82 -0.37 0.65 0.00 -0.75 0.00 0.00 64.21 64.56 3kdy n SER 244 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3kdy h PRO 245 N 0.00 0.14 -0.23 -1.46 0.11 -1.89 0.17 132.00 128.84 3kdy h PRO 245 Ca 0.34 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.44 3kdy h PRO 245 Cb 0.53 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.61 3kdy h PRO 245 CO -0.79 0.09 0.00 1.19 -0.21 0.00 0.00 178.00 178.28 3kdy n PHE 246 N -4.36 0.28 -1.57 0.65 3.72 0.15 -4.92 117.46 111.41 3kdy n PHE 246 Ca 0.23 -0.14 -0.38 0.00 -0.05 0.00 0.00 57.45 57.11 3kdy n PHE 246 Cb 1.00 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.59 3kdy n PHE 246 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3kdy n LEU 247 N 1.15 2.73 -0.17 4.37 4.77 0.04 -4.70 117.00 125.19 3kdy n LEU 247 Ca 0.17 0.79 -0.10 0.00 -0.03 0.00 0.00 56.01 56.84 3kdy n LEU 247 Cb 0.54 -1.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.31 3kdy n LEU 247 CO 0.15 -2.24 0.81 0.00 -1.33 0.00 0.00 177.39 174.78 3kdy h ALA 248 N 0.42 0.65 -0.56 -1.18 0.00 -1.90 -3.11 119.26 113.58 3kdy h ALA 248 Ca -0.47 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.20 3kdy h ALA 248 Cb 1.38 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 3kdy h ALA 248 CO 0.50 0.44 0.37 1.05 0.00 0.00 0.00 179.25 181.61 3kdy h GLU 249 N 0.70 0.59 0.00 0.00 9.09 -1.96 -0.95 114.58 122.05 3kdy h GLU 249 Ca 0.14 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.51 3kdy h GLU 249 Cb 0.49 -0.13 0.00 0.00 -1.65 0.00 0.00 28.75 27.46 3kdy h GLU 249 CO 0.02 0.39 0.00 0.41 0.05 0.00 0.00 179.01 179.88 3kdy n GLY 250 N -1.47 -0.83 1.24 1.06 0.00 -1.17 -1.94 105.19 102.06 3kdy n GLY 250 Ca 0.07 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.98 -0.28 0.29 1.61 8.25 -0.45 -3.59 115.22 119.08 3kdy n HIS 251 Ca -0.00 0.05 0.18 0.00 -0.26 0.00 0.00 57.72 57.69 3kdy n HIS 251 Cb 0.06 0.12 0.94 0.00 1.12 0.00 0.00 29.99 32.23 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 -1.50 0.16 116.42 120.68 3kdy h ASP 252 Ca 0.00 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.32 3kdy h ASP 252 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 3kdy h ASP 252 CO 0.00 0.00 -1.01 -0.38 -3.12 0.00 0.00 179.24 174.73 3kdy n ILE 253 N -3.24 1.20 -0.02 0.35 5.41 -1.19 -4.58 119.36 117.30 3kdy n ILE 253 Ca -0.01 0.10 -0.16 0.00 1.00 0.00 0.00 62.75 63.68 3kdy n ILE 253 Cb 0.29 -1.91 -0.09 0.00 -0.71 0.00 0.00 39.64 37.21 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 -0.56 0.14 -2.31 -1.39 0.00 -1.40 -3.41 119.26 110.33 3kdy h ALA 254 Ca -0.14 -0.49 -0.52 0.00 0.00 0.00 0.00 54.91 53.76 3kdy h ALA 254 Cb 0.83 0.00 -0.36 0.00 0.00 0.00 0.00 17.79 18.26 3kdy h ALA 254 CO -0.08 0.29 -0.85 0.50 0.00 0.00 0.00 179.25 179.11 3kdy s ARG 255 N -3.55 0.71 -0.24 0.00 3.52 -0.53 -4.97 118.95 113.89 3kdy s ARG 255 Ca -0.13 -1.51 -0.05 0.00 -0.13 0.00 0.00 55.73 53.90 3kdy s ARG 255 Cb 0.04 -1.17 -0.19 0.00 -1.56 0.00 0.00 34.95 32.07 3kdy s ARG 255 CO 0.80 -1.28 2.92 -0.35 -0.81 0.00 0.00 175.30 176.59 3kdy n PRO 256 N 3.60 1.85 -2.70 5.12 -0.04 0.45 -4.35 135.00 138.94 3kdy n PRO 256 Ca 0.19 -1.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.22 3kdy n PRO 256 Cb 0.43 -2.04 -0.02 0.00 -0.04 0.00 0.00 33.50 31.83 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 1.65 3.43 0.11 0.54 3.76 -1.26 -4.94 115.29 118.58 3kdy s HIS 257 Ca 0.54 1.50 -0.21 0.00 -0.15 0.00 0.00 55.06 56.74 3kdy s HIS 257 Cb 0.24 -3.21 -0.05 0.00 1.11 0.00 0.00 32.58 30.67 3kdy s HIS 257 CO -0.01 -0.34 1.30 -1.91 -0.85 0.00 0.00 174.74 172.93 3kdy n GLU 258 N 5.61 -0.30 -0.33 1.40 2.13 -1.26 0.24 120.64 128.13 3kdy n GLU 258 Ca 0.10 1.28 -0.04 0.00 0.66 0.00 0.00 57.16 59.16 3kdy n GLU 258 Cb 0.48 -1.89 0.08 0.00 0.27 0.00 0.00 31.44 30.38 3kdy n GLU 258 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 3kdy h GLY 259 N 0.00 1.29 1.20 8.31 0.00 -1.92 0.15 103.07 112.10 3kdy h GLY 259 Ca 0.11 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 3kdy h GLY 259 CO -0.65 0.54 0.49 -1.61 0.00 0.00 0.00 176.54 175.31 3kdy h GLN 260 N 1.22 1.07 -0.19 4.80 4.15 -1.02 0.16 115.11 125.30 3kdy h GLN 260 Ca 0.31 -0.08 -0.13 0.00 0.77 0.00 0.00 58.65 59.52 3kdy h GLN 260 Cb -0.02 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.44 3kdy h GLN 260 CO -0.06 0.74 -0.37 0.82 -1.93 0.00 0.00 178.83 178.03 3kdy h ILE 261 N 1.09 1.33 -0.85 2.39 2.04 0.40 -1.91 117.51 122.01 3kdy h ILE 261 Ca 0.29 -1.60 -0.03 0.00 1.00 0.00 0.00 64.86 64.52 3kdy h ILE 261 Cb -0.07 1.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 3kdy h ILE 261 CO -0.06 0.50 0.42 0.44 0.00 0.00 0.00 178.15 179.45 3kdy h ASP 262 N 0.27 1.09 -0.09 1.72 3.32 -0.43 -1.93 116.42 120.38 3kdy h ASP 262 Ca 0.01 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 56.90 3kdy h ASP 262 Cb 0.97 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.24 3kdy h ASP 262 CO 0.08 0.91 -0.09 0.74 -1.72 0.00 0.00 179.24 179.16 3kdy h THR 263 N 1.20 1.36 0.00 0.35 2.02 -0.70 -2.06 112.91 115.09 3kdy h THR 263 Ca 0.29 -1.24 -0.00 0.00 0.77 0.00 0.00 66.41 66.23 3kdy h THR 263 Cb 0.10 2.00 -0.00 0.00 -1.74 0.00 0.00 68.15 68.50 3kdy h THR 263 CO -0.04 0.35 -0.01 0.00 0.37 0.00 0.00 175.52 176.19 3kdy h ALA 264 N 0.57 1.26 0.09 6.16 0.00 -1.18 -0.90 119.26 125.26 3kdy h ALA 264 Ca 0.01 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 3kdy h ALA 264 Cb 0.60 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3kdy h ALA 264 CO 0.02 0.02 -1.55 0.00 0.00 0.00 0.00 179.25 177.74 3kdy h ALA 265 N 1.99 0.37 -0.16 0.00 0.00 -1.31 -3.23 119.26 116.91 3kdy h ALA 265 Ca -0.00 -1.17 -0.15 0.00 0.00 0.00 0.00 54.91 53.59 3kdy h ALA 265 Cb 0.06 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3kdy h ALA 265 CO 0.00 1.23 -0.52 -0.91 0.00 0.00 0.00 179.25 179.05 3kdy h ASN 266 N 0.05 0.51 0.07 0.00 4.21 -0.49 -2.95 115.58 116.98 3kdy h ASN 266 Ca -0.24 -0.26 -0.13 0.00 1.21 0.00 0.00 56.30 56.88 3kdy h ASN 266 Cb 2.00 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 39.04 3kdy h ASN 266 CO 0.14 0.94 -0.43 0.24 -1.29 0.00 0.00 177.43 177.03 3kdy h MET 267 N 0.36 0.45 -0.49 0.81 2.86 -1.34 -2.29 114.93 115.30 3kdy h MET 267 Ca 0.01 -0.23 -0.10 0.00 -2.06 0.00 0.00 59.70 57.32 3kdy h MET 267 Cb 1.03 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.69 3kdy h MET 267 CO 0.09 0.80 -0.08 0.00 1.06 0.00 0.00 176.91 178.78 3kdy h ARG 268 N 0.37 0.91 0.00 1.72 3.08 -1.56 -1.97 114.38 116.92 3kdy h ARG 268 Ca 0.03 -0.33 -0.05 0.00 0.07 0.00 0.00 59.98 59.70 3kdy h ARG 268 Cb 0.91 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 3kdy h ARG 268 CO 0.08 0.98 -0.24 0.00 -1.07 0.00 0.00 179.97 179.72 3kdy h ALA 269 N 0.90 0.98 0.21 0.04 0.00 -1.45 -0.99 119.26 118.95 3kdy h ALA 269 Ca 0.13 -0.22 -0.29 0.00 0.00 0.00 0.00 54.91 54.53 3kdy h ALA 269 Cb 0.62 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.41 3kdy h ALA 269 CO 0.04 0.30 -1.28 -0.07 0.00 0.00 0.00 179.25 178.24 3kdy h LEU 270 N 0.00 0.76 -2.63 0.00 3.38 -1.18 -3.28 115.31 112.35 3kdy h LEU 270 Ca -0.00 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.05 3kdy h LEU 270 Cb 0.82 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3kdy h LEU 270 CO 0.03 1.62 0.00 0.23 0.09 0.00 0.00 178.44 180.41 3kdy n MET 271 N -3.84 3.01 -1.68 1.13 2.81 -0.76 -4.15 117.12 113.65 3kdy n MET 271 Ca -0.16 -2.47 -0.46 0.00 -1.81 0.00 0.00 57.70 52.80 3kdy n MET 271 Cb 1.02 -1.68 -0.04 0.00 -0.71 0.00 0.00 33.22 31.81 3kdy n MET 271 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 3kdy n ARG 272 N 1.21 2.43 -2.86 0.03 0.63 -0.38 -2.81 116.66 114.90 3kdy n ARG 272 Ca 0.23 0.89 -0.11 0.00 -0.92 0.00 0.00 57.85 57.93 3kdy n ARG 272 Cb 0.69 -2.77 0.06 0.00 0.45 0.00 0.00 32.46 30.89 3kdy n ARG 272 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3kdy n GLY 273 N 4.40 -0.49 3.74 5.14 0.00 -1.26 -4.45 105.19 112.28 3kdy n GLY 273 Ca 0.21 0.24 -0.32 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.49 5.43 0.10 1.61 0.15 -1.12 -4.48 113.70 111.90 3kdy s SER 274 Ca 0.24 0.05 0.23 0.00 0.70 0.00 0.00 55.95 57.17 3kdy s SER 274 Cb -0.03 -1.48 0.03 0.00 -1.71 0.00 0.00 66.02 62.83 3kdy s SER 274 CO 0.54 0.25 1.02 0.61 1.20 0.00 0.00 173.24 176.86 3kdy n GLY 275 N 1.06 -1.30 0.11 9.45 0.00 0.63 -4.07 105.19 111.07 3kdy n GLY 275 Ca -0.12 -0.34 0.04 0.00 0.00 0.00 0.00 46.02 45.60 3kdy n GLY 275 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kdy h LEU 276 N 0.00 0.00-10.35 0.99 3.38 -1.83 -3.47 115.31 104.02 3kdy h LEU 276 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 3kdy h LEU 276 Cb 0.85 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.72 3kdy h LEU 276 CO 0.00 0.37 0.32 -0.89 0.09 0.00 0.00 178.44 178.33 3kdy s THR 277 N -3.07 3.24 0.00 0.22 2.01 -1.26 -4.30 115.64 112.48 3kdy s THR 277 Ca -0.01 0.40 0.00 0.00 0.31 0.00 0.00 61.69 62.39 3kdy s THR 277 Cb 0.09 -3.03 -0.00 0.00 0.01 0.00 0.00 72.50 69.57 3kdy s THR 277 CO 0.80 -0.53 -0.01 0.68 -0.69 0.00 0.00 174.62 174.86 3kdy s VAL 278 N -3.02 0.11 0.31 3.82 -7.23 -1.12 -5.01 120.40 108.25 3kdy s VAL 278 Ca 0.61 -0.09 -0.15 0.00 -1.81 0.00 0.00 61.98 60.54 3kdy s VAL 278 Cb -0.16 -0.10 -0.09 0.00 0.56 0.00 0.00 36.38 36.59 3kdy s VAL 278 CO 0.55 0.01 0.73 -1.61 -0.31 0.00 0.00 175.10 174.47 3kdy s GLU 279 N -0.09 4.01 0.13 4.82 0.41 -1.26 -3.06 118.70 123.66 3kdy s GLU 279 Ca -0.00 0.66 -0.23 0.00 -0.41 0.00 0.00 54.97 54.99 3kdy s GLU 279 Cb -0.01 -2.47 -0.03 0.00 -1.78 0.00 0.00 34.13 29.85 3kdy s GLU 279 CO -0.00 0.18 1.66 1.25 -0.49 0.00 0.00 175.26 177.86 3kdy h HIS 280 N 2.33 -0.45 -0.90 1.61 -0.00 -1.97 -1.75 115.15 114.02 3kdy h HIS 280 Ca -0.48 0.02 0.24 0.00 -0.00 0.00 0.00 60.37 60.15 3kdy h HIS 280 Cb 1.18 0.21 -0.16 0.00 -0.00 0.00 0.00 27.41 28.64 3kdy h HIS 280 CO 0.62 -0.25 0.05 0.00 -0.00 0.00 0.00 177.93 178.35 3kdy h ALA 281 N 0.78 1.07 -0.13 5.26 0.00 -1.98 0.66 119.26 124.93 3kdy h ALA 281 Ca 0.09 0.29 -0.15 0.00 0.00 0.00 0.00 54.91 55.14 3kdy h ALA 281 Cb 0.36 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3kdy h ALA 281 CO -0.24 -0.51 -0.57 -0.44 0.00 0.00 0.00 179.25 177.49 3kdy h ASP 282 N 0.07 0.45 -0.19 0.00 3.32 -1.81 -0.63 116.42 117.63 3kdy h ASP 282 Ca 0.54 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 57.32 3kdy h ASP 282 Cb 1.06 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 3kdy h ASP 282 CO -0.81 0.92 0.02 -0.07 -1.72 0.00 0.00 179.24 177.59 3kdy h LEU 283 N 0.31 0.31 -1.36 1.55 3.38 0.76 0.10 115.31 120.35 3kdy h LEU 283 Ca 0.00 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 3kdy h LEU 283 Cb 1.09 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 3kdy h LEU 283 CO 0.10 0.50 0.28 -0.09 0.09 0.00 0.00 178.44 179.32 3kdy h ARG 284 N 0.10 0.71 0.03 1.13 2.43 0.15 -0.74 114.38 118.19 3kdy h ARG 284 Ca 0.06 -0.07 -0.22 0.00 -0.81 0.00 0.00 59.98 58.93 3kdy h ARG 284 Cb 0.33 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 3kdy h ARG 284 CO 0.01 0.53 -0.99 0.00 -1.51 0.00 0.00 179.97 178.01 3kdy h ARG 285 N 0.72 0.22 0.07 0.20 3.08 -0.74 -2.44 114.38 115.50 3kdy h ARG 285 Ca 0.18 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 3kdy h ARG 285 Cb 0.03 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3kdy h ARG 285 CO -0.03 1.04 -0.04 1.49 -1.07 0.00 0.00 179.97 181.37 3kdy h GLU 286 N 0.11 -0.09 -0.20 0.04 4.81 -0.40 -2.85 114.58 116.00 3kdy h GLU 286 Ca -0.07 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.22 3kdy h GLU 286 Cb 1.65 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 31.01 3kdy h GLU 286 CO 0.15 0.37 -0.12 1.25 -0.73 0.00 0.00 179.01 179.94 3kdy h LEU 287 N -0.61 -0.39 -0.66 1.64 5.85 -1.24 -2.10 115.31 117.81 3kdy h LEU 287 Ca -0.01 0.09 0.14 0.00 0.84 0.00 0.00 57.88 58.94 3kdy h LEU 287 Cb 0.51 0.21 -0.11 0.00 0.37 0.00 0.00 40.66 41.64 3kdy h LEU 287 CO 0.02 -0.15 0.05 -0.61 -0.34 0.00 0.00 178.44 177.41 3kdy h GLN 288 N -0.11 0.16 0.00 1.25 5.75 -1.49 0.26 115.11 120.94 3kdy h GLN 288 Ca 0.11 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.58 3kdy h GLN 288 Cb 0.28 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.79 3kdy h GLN 288 CO -0.27 0.10 -0.09 -0.22 -2.65 0.00 0.00 178.83 175.71 3kdy h LYS 289 N 0.16 0.00 0.00 1.69 1.63 -1.14 -1.41 116.57 117.50 3kdy h LYS 289 Ca 0.35 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.15 3kdy h LYS 289 Cb 0.58 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.21 3kdy h LYS 289 CO -0.53 0.09 0.00 -3.47 -3.45 0.00 0.00 179.45 172.10 3kdy n ASP 290 N -4.14 0.00 -4.67 4.20 2.03 0.88 -4.79 116.55 110.05 3kdy n ASP 290 Ca -0.03 0.38 -0.39 0.00 0.52 0.00 0.00 54.79 55.27 3kdy n ASP 290 Cb 0.18 -0.46 -0.07 0.00 -0.72 0.00 0.00 41.12 40.05 3kdy n ASP 290 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3kdy s LYS 291 N -2.92 4.21 0.29 -0.67 1.02 -0.53 -5.04 119.74 116.09 3kdy s LYS 291 Ca 0.17 0.40 -0.24 0.00 0.02 0.00 0.00 55.97 56.32 3kdy s LYS 291 Cb 0.19 -3.55 -0.09 0.00 -0.52 0.00 0.00 37.83 33.86 3kdy s LYS 291 CO 0.51 -0.11 0.87 -1.21 -0.92 0.00 0.00 175.35 174.49 3kdy s GLU 292 N 1.50 4.48 0.52 1.68 2.02 -1.26 -5.01 118.70 122.62 3kdy s GLU 292 Ca 0.24 1.18 -0.22 0.00 0.02 0.00 0.00 54.97 56.19 3kdy s GLU 292 Cb -0.15 -2.84 -0.07 0.00 0.10 0.00 0.00 34.13 31.17 3kdy s GLU 292 CO 0.10 0.33 1.20 0.00 0.02 0.00 0.00 175.26 176.91 3kdy n ALA 293 N 0.65 1.02 0.00 5.21 0.00 -1.26 -4.92 120.51 121.21 3kdy n ALA 293 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3kdy n ALA 293 Cb 0.50 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.71 3kdy n ALA 293 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kdy n GLY 294 N 0.95 0.01 2.65 0.00 0.00 -1.26 -4.96 105.19 102.58 3kdy n GLY 294 Ca 0.10 -1.78 -0.28 0.00 0.00 0.00 0.00 46.02 44.06 3kdy n GLY 294 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kdy n LYS 295 N -1.58 3.39 -1.91 1.61 4.01 -1.26 -5.04 118.16 117.39 3kdy n LYS 295 Ca 0.00 -4.59 0.00 0.00 -0.51 0.00 0.00 58.31 53.21 3kdy n LYS 295 Cb 0.00 -2.25 0.00 0.00 -0.51 0.00 0.00 35.03 32.27 3kdy n LYS 295 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 3kdy n ASP 296 N -0.40 0.69 -4.55 4.39 5.68 -1.26 -5.15 116.55 115.95 3kdy n ASP 296 Ca 0.37 -0.95 -0.34 0.00 -0.50 0.00 0.00 54.79 53.37 3kdy n ASP 296 Cb 0.54 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.41 3kdy n ASP 296 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3kdy s VAL 297 N -1.59 3.90 0.21 2.12 0.11 -1.26 -5.12 120.40 118.76 3kdy s VAL 297 Ca 0.00 -0.37 0.11 0.00 -2.93 0.00 0.00 61.98 58.79 3kdy s VAL 297 Cb 0.00 -2.67 -0.04 0.00 -1.53 0.00 0.00 36.38 32.14 3kdy s VAL 297 CO 0.00 0.54 -0.21 -1.10 -3.33 0.00 0.00 175.10 171.00 3kdy s GLN 298 N -0.11 1.65 -0.23 1.54 -0.21 -1.26 -5.12 119.66 115.91 3kdy s GLN 298 Ca 0.02 -1.52 -0.07 0.00 0.02 0.00 0.00 55.36 53.82 3kdy s GLN 298 Cb -0.13 -1.89 -0.03 0.00 1.00 0.00 0.00 33.01 31.96 3kdy s GLN 298 CO 0.03 0.39 0.05 1.03 -2.12 0.00 0.00 175.29 174.67 3kdy s ARG 299 N -2.84 3.67 0.30 2.91 0.52 -1.26 -5.10 118.95 117.14 3kdy s ARG 299 Ca 0.23 -0.48 0.11 0.00 -0.52 0.00 0.00 55.73 55.07 3kdy s ARG 299 Cb -0.08 -3.25 -0.06 0.00 0.52 0.00 0.00 34.95 32.08 3kdy s ARG 299 CO 0.12 -0.11 -0.16 0.45 0.02 0.00 0.00 175.30 175.62 3kdy s SER 300 N 1.38 3.61 0.00 0.23 0.15 -1.26 -5.03 113.70 112.77 3kdy s SER 300 Ca 0.05 -1.10 0.23 0.00 0.70 0.00 0.00 55.95 55.83 3kdy s SER 300 Cb -0.15 -0.31 0.02 0.00 -1.71 0.00 0.00 66.02 63.87 3kdy s SER 300 CO 0.03 -0.06 1.10 1.21 1.20 0.00 0.00 173.24 176.71 3kdy n GLU 301 N -0.68 0.86 -3.29 5.44 4.07 -1.26 -4.93 120.64 120.85 3kdy n GLU 301 Ca -0.05 -0.70 -0.38 0.00 -0.06 0.00 0.00 57.16 55.97 3kdy n GLU 301 Cb 0.61 -1.49 -0.06 0.00 -0.06 0.00 0.00 31.44 30.45 3kdy n GLU 301 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 3kdy s ILE 302 N -2.62 4.99 -0.36 6.31 1.01 -1.26 -5.06 121.20 124.21 3kdy s ILE 302 Ca 0.16 1.09 -0.08 0.00 0.00 0.00 0.00 60.65 61.83 3kdy s ILE 302 Cb 0.18 -3.86 0.04 0.00 0.01 0.00 0.00 42.46 38.83 3kdy s ILE 302 CO 0.64 0.44 0.16 -0.31 0.00 0.00 0.00 174.94 175.86 3kdy s TYR 303 N -0.23 3.26 0.53 3.97 2.02 -1.26 -4.94 117.35 120.71 3kdy s TYR 303 Ca 0.28 -1.29 0.20 0.00 -0.37 0.00 0.00 57.07 55.89 3kdy s TYR 303 Cb -0.17 -2.41 1.42 0.00 -0.40 0.00 0.00 41.96 40.40 3kdy s TYR 303 CO 0.15 -0.72 2.17 1.25 -1.57 0.00 0.00 175.55 176.83 3kdy h LEU 304 N 8.31 0.00 -7.70 -1.29 5.85 -1.97 -3.41 115.31 115.10 3kdy h LEU 304 Ca -0.24 0.00 -0.38 0.00 0.84 0.00 0.00 57.88 58.10 3kdy h LEU 304 Cb 1.09 0.00 -0.34 0.00 0.37 0.00 0.00 40.66 41.78 3kdy h LEU 304 CO 0.64 0.02 -0.76 -1.10 -0.34 0.00 0.00 178.44 176.90 3kdy s GLN 305 N -4.88 0.61 0.60 1.25 -0.21 -1.26 -5.00 119.66 110.77 3kdy s GLN 305 Ca -0.05 -0.04 -0.10 0.00 0.02 0.00 0.00 55.36 55.18 3kdy s GLN 305 Cb 0.16 -0.68 -0.04 0.00 1.00 0.00 0.00 33.01 33.46 3kdy s GLN 305 CO 0.63 -0.09 1.00 0.15 -2.12 0.00 0.00 175.29 174.87 3kdy s LYS 306 N 0.88 3.60 1.06 2.91 -0.14 -1.26 -5.03 119.74 121.76 3kdy s LYS 306 Ca -0.11 0.70 -0.16 0.00 -1.36 0.00 0.00 55.97 55.04 3kdy s LYS 306 Cb -0.14 -2.11 0.10 0.00 -1.68 0.00 0.00 37.83 34.00 3kdy s LYS 306 CO -0.00 -0.53 0.27 0.00 -0.76 0.00 0.00 175.35 174.33 3kdy n ALA 307 N -2.68 -3.40 -0.26 5.17 0.00 -1.26 -4.50 120.51 113.58 3kdy n ALA 307 Ca 0.05 -1.02 0.05 0.00 0.00 0.00 0.00 53.44 52.53 3kdy n ALA 307 Cb 0.54 -1.68 0.19 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.94 0.59 0.00 0.00 -1.99 -1.96 -0.50 116.97 111.17 3kdy h TYR 308 Ca -0.50 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.26 3kdy h TYR 308 Cb 1.33 -0.15 0.00 0.00 2.00 0.00 0.00 36.73 39.91 3kdy h TYR 308 CO 0.26 0.11 0.00 -1.13 -0.00 0.00 0.00 178.16 177.41 3kdy n SER 309 N -4.95 0.04 0.00 3.88 3.41 -1.26 -0.50 113.62 114.25 3kdy n SER 309 Ca 0.15 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.27 3kdy n SER 309 Cb 0.40 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 3kdy n SER 309 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kdy n LEU 310 N -1.56 0.77 0.00 1.04 4.77 -0.25 -4.77 117.00 117.00 3kdy n LEU 310 Ca -0.00 -0.81 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 3kdy n LEU 310 Cb 0.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3kdy n LEU 310 CO 0.01 0.19 -0.23 -1.14 -1.33 0.00 0.00 177.39 174.89 3kdy n ARG 311 N -0.08 2.80 -0.96 3.23 0.63 -0.55 -4.79 116.66 116.95 3kdy n ARG 311 Ca 0.00 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.83 3kdy n ARG 311 Cb 0.03 -0.69 0.22 0.00 0.45 0.00 0.00 32.46 32.48 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 -0.84 4.69 0.15 5.13 0.00 0.35 -4.67 120.51 125.31 3kdy n ALA 312 Ca 0.00 -2.85 -0.14 0.00 0.00 0.00 0.00 53.44 50.45 3kdy n ALA 312 Cb 0.00 -1.07 -0.08 0.00 0.00 0.00 0.00 19.45 18.30 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 1.35 0.76 -0.95 0.00 5.03 -1.87 -2.09 117.51 119.74 3kdy h ILE 313 Ca 0.35 -0.43 0.18 0.00 -0.12 0.00 0.00 64.86 64.84 3kdy h ILE 313 Cb 2.17 1.00 -0.08 0.00 -3.03 0.00 0.00 36.82 36.88 3kdy h ILE 313 CO 0.68 0.09 0.60 -0.65 -0.68 0.00 0.00 178.15 178.20 3kdy h PRO 314 N -0.61 0.62 0.03 2.37 0.11 -1.88 0.20 132.00 132.83 3kdy h PRO 314 Ca -0.04 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 3kdy h PRO 314 Cb 0.44 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.41 3kdy h PRO 314 CO 0.06 0.41 -0.01 1.96 -0.21 0.00 0.00 178.00 180.21 3kdy h GLN 315 N 0.64 -0.03 0.45 1.05 7.50 -1.85 -2.45 115.11 120.41 3kdy h GLN 315 Ca 0.51 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.64 3kdy h GLN 315 Cb 0.94 0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.48 3kdy h GLN 315 CO -0.26 0.66 -0.21 0.28 -1.50 0.00 0.00 178.83 177.79 3kdy h VAL 316 N -0.80 0.25 -0.39 -0.54 2.07 -1.08 -1.85 116.25 113.90 3kdy h VAL 316 Ca -0.00 -0.58 0.02 0.00 0.82 0.00 0.00 66.70 66.96 3kdy h VAL 316 Cb 0.71 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3kdy h VAL 316 CO 0.01 0.05 0.26 0.58 0.02 0.00 0.00 177.57 178.49 3kdy h VAL 317 N -1.07 1.04 -0.28 2.57 2.07 -0.81 -1.97 116.25 117.81 3kdy h VAL 317 Ca -0.06 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 3kdy h VAL 317 Cb 0.54 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3kdy h VAL 317 CO 0.10 0.08 0.01 1.23 0.02 0.00 0.00 177.57 179.01 3kdy h GLY 318 N 0.44 0.53 0.52 2.17 0.00 -1.46 -1.12 103.07 104.15 3kdy h GLY 318 Ca 0.15 -0.38 0.12 0.00 0.00 0.00 0.00 47.33 47.22 3kdy h GLY 318 CO -0.04 0.35 0.61 0.00 0.00 0.00 0.00 176.54 177.47 3kdy h ALA 319 N 0.83 1.60 -0.26 3.60 0.00 -0.59 0.55 119.26 125.00 3kdy h ALA 319 Ca 0.08 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3kdy h ALA 319 Cb 0.41 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3kdy h ALA 319 CO 0.01 0.16 0.02 0.28 0.00 0.00 0.00 179.25 179.73 3kdy h VAL 320 N 0.92 1.24 -0.46 0.00 2.07 -1.13 -2.74 116.25 116.15 3kdy h VAL 320 Ca 0.47 -0.84 0.06 0.00 0.82 0.00 0.00 66.70 67.22 3kdy h VAL 320 Cb 0.52 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 3kdy h VAL 320 CO -0.24 0.27 0.16 0.03 0.02 0.00 0.00 177.57 177.80 3kdy h ARG 321 N 0.24 0.31 -0.37 1.57 3.08 0.21 -0.56 114.38 118.87 3kdy h ARG 321 Ca 0.08 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.15 3kdy h ARG 321 Cb 0.37 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 3kdy h ARG 321 CO 0.01 0.21 0.25 -0.44 -1.07 0.00 0.00 179.97 178.92 3kdy h ASP 322 N 0.32 0.28 0.18 7.04 3.32 -0.87 0.27 116.42 126.96 3kdy h ASP 322 Ca 0.22 -0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.02 3kdy h ASP 322 Cb 0.23 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 39.73 3kdy h ASP 322 CO -0.23 0.19 -0.98 0.74 -1.72 0.00 0.00 179.24 177.24 3kdy h THR 323 N 0.33 1.34 -0.07 0.35 2.02 -0.91 -2.49 112.91 113.48 3kdy h THR 323 Ca 0.15 -2.34 -0.16 0.00 0.77 0.00 0.00 66.41 64.83 3kdy h THR 323 Cb 0.20 2.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.99 3kdy h THR 323 CO -0.03 0.71 -0.66 -0.07 0.37 0.00 0.00 175.52 175.84 3kdy h LEU 324 N 0.31 0.33 0.17 2.58 3.38 -0.43 -1.72 115.31 119.93 3kdy h LEU 324 Ca -0.10 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 3kdy h LEU 324 Cb 1.62 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.28 3kdy h LEU 324 CO 0.18 0.90 -0.08 1.88 0.09 0.00 0.00 178.44 181.41 3kdy h TYR 325 N 0.20 -0.21 -0.86 1.13 0.05 -0.48 0.96 116.97 117.76 3kdy h TYR 325 Ca -0.02 -0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.77 3kdy h TYR 325 Cb 1.20 0.07 -0.04 0.00 1.01 0.00 0.00 36.73 38.97 3kdy h TYR 325 CO 0.03 -0.02 0.57 1.25 -1.05 0.00 0.00 178.16 178.94 3kdy h HIS 326 N -0.38 1.08 -0.73 4.88 2.76 -1.43 -0.53 115.15 120.80 3kdy h HIS 326 Ca -0.02 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.11 3kdy h HIS 326 Cb 0.29 -0.36 -0.03 0.00 1.55 0.00 0.00 27.41 28.86 3kdy h HIS 326 CO -0.02 0.67 0.21 0.00 -1.30 0.00 0.00 177.93 177.49 3kdy h ALA 327 N 1.32 0.95 -0.10 5.26 0.00 -1.14 -1.55 119.26 124.00 3kdy h ALA 327 Ca 0.32 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3kdy h ALA 327 Cb -0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 3kdy h ALA 327 CO -0.07 0.65 -0.30 -0.09 0.00 0.00 0.00 179.25 179.43 3kdy h ARG 328 N 1.08 0.19 0.40 0.00 2.43 -0.27 -2.30 114.38 115.91 3kdy h ARG 328 Ca 0.23 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 3kdy h ARG 328 Cb 0.33 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3kdy h ARG 328 CO -0.00 0.48 -0.19 1.25 -1.51 0.00 0.00 179.97 179.99 3kdy h HIS 329 N 0.17 -0.50 -0.77 2.20 2.76 -0.48 -1.41 115.15 117.11 3kdy h HIS 329 Ca 0.02 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.24 3kdy h HIS 329 Cb 0.63 0.17 -0.05 0.00 1.55 0.00 0.00 27.41 29.70 3kdy h HIS 329 CO 0.01 -0.18 0.51 0.87 -1.30 0.00 0.00 177.93 177.84 3kdy h LYS 330 N -0.87 0.83 -0.22 5.26 1.79 -1.28 -1.99 116.57 120.09 3kdy h LYS 330 Ca -0.06 -0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.34 3kdy h LYS 330 Cb 0.55 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 3kdy h LYS 330 CO 0.09 0.55 0.03 -0.07 -1.08 0.00 0.00 179.45 178.97 3kdy h LEU 331 N 0.85 0.35 -1.70 2.94 3.38 -1.38 0.50 115.31 120.26 3kdy h LEU 331 Ca 0.33 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 58.07 3kdy h LEU 331 Cb 0.20 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3kdy h LEU 331 CO -0.11 0.52 0.27 -0.09 0.09 0.00 0.00 178.44 179.12 3kdy h ARG 332 N 0.16 0.38 -0.03 1.13 2.43 -0.62 1.07 114.38 118.91 3kdy h ARG 332 Ca 0.07 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 3kdy h ARG 332 Cb 0.32 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3kdy h ARG 332 CO 0.00 0.25 -0.15 0.82 -1.51 0.00 0.00 179.97 179.38 3kdy h ILE 333 N 0.39 1.49 -0.62 1.20 2.04 -1.08 -3.02 117.51 117.91 3kdy h ILE 333 Ca 0.17 -1.68 -0.04 0.00 1.00 0.00 0.00 64.86 64.31 3kdy h ILE 333 Cb 0.17 2.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.74 3kdy h ILE 333 CO -0.04 0.46 0.24 -0.08 0.00 0.00 0.00 178.15 178.73 3kdy h GLU 334 N -0.45 0.93 -0.98 2.37 4.57 -0.03 -2.18 114.58 118.82 3kdy h GLU 334 Ca -0.01 -0.17 0.12 0.00 -1.18 0.00 0.00 59.36 58.11 3kdy h GLU 334 Cb 0.82 -0.15 -0.08 0.00 -0.16 0.00 0.00 28.75 29.18 3kdy h GLU 334 CO 0.03 0.79 0.61 -0.07 -1.18 0.00 0.00 179.01 179.19 3kdy h LEU 335 N 0.87 0.89 -3.90 1.64 3.38 0.11 -1.83 115.31 116.47 3kdy h LEU 335 Ca 0.21 0.05 -0.61 0.00 0.09 0.00 0.00 57.88 57.61 3kdy h LEU 335 Cb 0.21 -0.13 -0.32 0.00 0.09 0.00 0.00 40.66 40.51 3kdy h LEU 335 CO -0.02 0.48 0.34 0.59 0.09 0.00 0.00 178.44 179.92 3kdy n ASN 336 N -4.64 6.50 -4.48 -0.43 3.02 -0.98 -4.31 115.26 109.95 3kdy n ASN 336 Ca 0.18 -3.77 -0.24 0.00 -0.03 0.00 0.00 54.58 50.72 3kdy n ASN 336 Cb 0.35 -0.78 -0.10 0.00 -0.61 0.00 0.00 39.78 38.64 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 -2.34 3.65 -1.33 6.41 1.04 -0.69 -4.64 113.70 115.80 3kdy s SER 337 Ca 0.60 -0.99 -0.06 0.00 0.48 0.00 0.00 55.95 55.98 3kdy s SER 337 Cb 0.48 -0.34 0.11 0.00 0.10 0.00 0.00 66.02 66.36 3kdy s SER 337 CO 0.01 0.04 2.42 0.00 0.98 0.00 0.00 173.24 176.69 3kdy n ALA 338 N -0.57 6.85 -0.97 5.32 0.00 -1.26 -4.61 120.51 125.27 3kdy n ALA 338 Ca -0.06 -4.05 -0.43 0.00 0.00 0.00 0.00 53.44 48.90 3kdy n ALA 338 Cb 0.60 -2.79 -0.08 0.00 0.00 0.00 0.00 19.45 17.17 3kdy n ALA 338 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3kdy n ASN 339 N 1.80 2.02 -2.96 0.00 0.23 -1.26 -4.73 115.26 110.35 3kdy n ASN 339 Ca 0.63 -2.62 -0.15 0.00 -0.53 0.00 0.00 54.58 51.91 3kdy n ASN 339 Cb 0.25 -0.94 -0.04 0.00 -2.08 0.00 0.00 39.78 36.96 3kdy n ASN 339 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 3kdy n ASP 340 N 8.33 -1.08 -3.65 0.53 2.03 -1.25 -3.92 116.55 117.55 3kdy n ASP 340 Ca 0.49 -2.88 -0.02 0.00 0.52 0.00 0.00 54.79 52.89 3kdy n ASP 340 Cb 0.41 2.12 -0.07 0.00 -0.72 0.00 0.00 41.12 42.87 3kdy n ASP 340 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 3kdy s ASN 341 N -3.10 -0.20 1.08 1.67 2.47 -1.26 -4.22 114.94 111.38 3kdy s ASN 341 Ca 0.31 0.34 -0.18 0.00 0.42 0.00 0.00 52.86 53.75 3kdy s ASN 341 Cb 0.00 0.76 0.25 0.00 -1.45 0.00 0.00 41.25 40.81 3kdy s ASN 341 CO 0.22 -0.06 1.28 -2.84 -3.72 0.00 0.00 177.10 171.98 3kdy s PRO 342 N 0.68 -0.27 0.05 0.43 0.02 -1.26 -4.79 135.00 129.86 3kdy s PRO 342 Ca -0.02 -0.43 0.07 0.00 0.02 0.00 0.00 61.00 60.65 3kdy s PRO 342 Cb -0.04 -1.74 -0.03 0.00 0.02 0.00 0.00 34.50 32.71 3kdy s PRO 342 CO -0.12 -3.02 -0.18 -0.51 -0.33 0.00 0.00 177.00 172.84 3kdy s LEU 343 N -6.30 2.63 -0.18 -5.54 1.43 0.07 -4.81 118.68 105.97 3kdy s LEU 343 Ca 0.75 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 53.39 3kdy s LEU 343 Cb -0.04 -1.52 0.00 0.00 0.03 0.00 0.00 46.19 44.66 3kdy s LEU 343 CO 0.54 0.24 -0.13 0.12 0.23 0.00 0.00 176.35 177.36 3kdy s PHE 344 N -0.96 2.84 0.26 0.29 5.36 0.24 -1.54 117.98 124.47 3kdy s PHE 344 Ca 0.15 -1.18 0.10 0.00 -0.96 0.00 0.00 56.93 55.05 3kdy s PHE 344 Cb -0.10 -1.97 -0.05 0.00 -0.34 0.00 0.00 43.02 40.55 3kdy s PHE 344 CO 0.06 -0.60 -0.17 -0.06 -1.46 0.00 0.00 175.22 172.99 3kdy s PHE 345 N 1.18 2.09 0.04 10.12 0.08 -1.26 -4.48 117.98 125.75 3kdy s PHE 345 Ca 0.02 -0.43 -0.20 0.00 0.12 0.00 0.00 56.93 56.44 3kdy s PHE 345 Cb -0.14 -0.94 -0.06 0.00 -0.57 0.00 0.00 43.02 41.30 3kdy s PHE 345 CO -0.05 0.58 0.57 -1.83 -0.10 0.00 0.00 175.22 174.39 3kdy s GLU 346 N -3.56 4.24 0.00 0.44 -1.05 -1.26 -3.82 118.70 113.68 3kdy s GLU 346 Ca 0.28 0.72 0.00 0.00 -0.15 0.00 0.00 54.97 55.82 3kdy s GLU 346 Cb -0.03 -3.28 0.00 0.00 -0.44 0.00 0.00 34.13 30.38 3kdy s GLU 346 CO 0.12 0.54 0.00 0.41 0.95 0.00 0.00 175.26 177.28 3kdy n GLY 347 N 2.01 1.34 3.61 -3.83 0.00 -1.26 -5.00 105.19 102.06 3kdy n GLY 347 Ca -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.00 1.95 0.63 1.61 1.02 -1.25 -5.14 119.74 118.55 3kdy s LYS 348 Ca 0.00 -2.06 -0.09 0.00 0.02 0.00 0.00 55.97 53.84 3kdy s LYS 348 Cb 0.00 -1.68 -0.00 0.00 -0.52 0.00 0.00 37.83 35.63 3kdy s LYS 348 CO 0.00 -0.01 0.98 -1.21 -0.92 0.00 0.00 175.35 174.19 3kdy s GLU 349 N -3.70 3.09 -0.51 1.68 0.41 -1.26 -4.74 118.70 113.68 3kdy s GLU 349 Ca 0.35 0.33 -0.27 0.00 -0.41 0.00 0.00 54.97 54.97 3kdy s GLU 349 Cb 0.08 -2.16 -0.04 0.00 -1.78 0.00 0.00 34.13 30.24 3kdy s GLU 349 CO 0.18 -0.74 2.03 0.42 -0.49 0.00 0.00 175.26 176.66 3kdy s ILE 350 N -3.13 3.25 -0.11 -1.63 -1.09 -1.26 -4.66 121.20 112.57 3kdy s ILE 350 Ca 0.55 0.18 -0.29 0.00 -2.23 0.00 0.00 60.65 58.86 3kdy s ILE 350 Cb -0.11 -3.57 -0.07 0.00 -1.58 0.00 0.00 42.46 37.14 3kdy s ILE 350 CO 0.49 -0.51 2.11 0.33 -1.23 0.00 0.00 174.94 176.14 3kdy n PHE 351 N 13.21 2.20 -3.48 3.97 7.35 -0.59 -4.81 117.46 135.31 3kdy n PHE 351 Ca 0.26 -0.22 -0.43 0.00 -0.76 0.00 0.00 57.45 56.30 3kdy n PHE 351 Cb 0.52 -2.76 -0.06 0.00 0.35 0.00 0.00 39.48 37.53 3kdy n PHE 351 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 3kdy s HIS 352 N 6.59 3.48 0.00 -5.13 3.76 -1.26 -0.75 115.29 121.98 3kdy s HIS 352 Ca 0.96 -1.95 0.00 0.00 -0.15 0.00 0.00 55.06 53.92 3kdy s HIS 352 Cb -0.40 -3.59 0.00 0.00 1.11 0.00 0.00 32.58 29.71 3kdy s HIS 352 CO 0.39 -0.97 0.00 0.41 -0.85 0.00 0.00 174.74 173.72 3kdy n GLY 353 N 4.48 5.26 2.63 -2.22 0.00 -1.26 -5.08 105.19 109.01 3kdy n GLY 353 Ca -0.01 -1.50 -0.09 0.00 0.00 0.00 0.00 46.02 44.42 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 2.28 1.94 4.61 0.00 -1.26 -4.91 120.51 120.17 3kdy n ALA 354 Ca 0.00 -2.42 0.16 0.00 0.00 0.00 0.00 53.44 51.17 3kdy n ALA 354 Cb 0.00 -0.97 0.92 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.19 0.00 -0.02 0.00 5.03 -1.26 -2.42 115.26 116.41 3kdy n ASN 355 Ca 0.06 -0.96 0.14 0.00 0.87 0.00 0.00 54.58 54.69 3kdy n ASN 355 Cb 0.81 -0.00 0.61 0.00 -1.02 0.00 0.00 39.78 40.17 3kdy n ASN 355 CO 0.00 0.00 0.00 2.22 -1.83 0.00 0.00 177.26 177.65 3kdy n PHE 356 N -1.00 0.00 -2.38 3.10 1.16 -1.26 -4.31 117.46 112.76 3kdy n PHE 356 Ca 0.23 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.40 3kdy n PHE 356 Cb 0.11 -0.37 -0.03 0.00 -1.61 0.00 0.00 39.48 37.58 3kdy n PHE 356 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 3kdy s HIS 357 N -2.81 2.20 0.00 2.97 2.46 -1.01 -4.34 115.29 114.76 3kdy s HIS 357 Ca 0.20 0.39 0.00 0.00 0.47 0.00 0.00 55.06 56.11 3kdy s HIS 357 Cb 0.19 -4.41 0.00 0.00 -0.13 0.00 0.00 32.58 28.23 3kdy s HIS 357 CO 0.53 -2.04 1.67 0.41 -2.47 0.00 0.00 174.74 172.83 3kdy n GLY 358 N 5.35 2.32 0.33 1.59 0.00 -1.03 -4.35 105.19 109.39 3kdy n GLY 358 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 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 0.74 1.09 -0.68 1.61 5.75 -1.90 0.43 115.11 122.15 3kdy h GLN 359 Ca 0.00 -0.20 0.03 0.00 -0.15 0.00 0.00 58.65 58.33 3kdy h GLN 359 Cb 0.98 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 29.32 3kdy h GLN 359 CO 0.00 0.89 0.45 -1.35 -2.65 0.00 0.00 178.83 176.17 3kdy h PRO 360 N 1.06 0.80 0.04 -2.39 0.11 -2.00 -1.99 132.00 127.63 3kdy h PRO 360 Ca 0.24 -0.05 -0.29 0.00 0.11 0.00 0.00 66.00 66.01 3kdy h PRO 360 Cb 0.23 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.12 3kdy h PRO 360 CO -0.02 0.53 -1.58 0.82 -0.21 0.00 0.00 178.00 177.54 3kdy h ILE 361 N 0.82 1.03 -0.28 4.15 1.08 -1.84 -3.08 117.51 119.40 3kdy h ILE 361 Ca 0.27 -2.80 0.05 0.00 -0.39 0.00 0.00 64.86 61.99 3kdy h ILE 361 Cb 0.06 2.57 -0.05 0.00 -3.07 0.00 0.00 36.82 36.34 3kdy h ILE 361 CO -0.08 0.68 -0.02 0.00 -0.69 0.00 0.00 178.15 178.05 3kdy h ALA 362 N 0.79 0.23 -0.34 1.87 0.00 -0.46 0.20 119.26 121.55 3kdy h ALA 362 Ca -0.25 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3kdy h ALA 362 Cb 1.98 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.91 3kdy h ALA 362 CO 0.11 -0.43 0.05 0.74 0.00 0.00 0.00 179.25 179.72 3kdy h PHE 363 N 0.06 0.60 -0.36 0.00 0.04 -1.52 -2.08 116.94 113.68 3kdy h PHE 363 Ca 0.13 -0.08 0.07 0.00 2.80 0.00 0.00 57.97 60.89 3kdy h PHE 363 Cb 0.18 -0.16 -0.06 0.00 2.20 0.00 0.00 35.95 38.11 3kdy h PHE 363 CO -0.23 0.63 -0.03 0.00 -0.60 0.00 0.00 178.31 178.08 3kdy h ALA 364 N 0.90 0.30 -0.20 2.45 0.00 -1.27 -0.79 119.26 120.65 3kdy h ALA 364 Ca 0.10 0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.94 3kdy h ALA 364 Cb 0.35 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3kdy h ALA 364 CO 0.01 -0.42 -0.62 0.52 0.00 0.00 0.00 179.25 178.74 3kdy h MET 365 N 0.06 0.69 -0.47 0.00 2.86 -0.60 -2.00 114.93 115.48 3kdy h MET 365 Ca 0.17 -0.48 -0.01 0.00 -2.06 0.00 0.00 59.70 57.32 3kdy h MET 365 Cb 0.25 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 3kdy h MET 365 CO -0.32 1.10 0.24 -0.44 1.06 0.00 0.00 176.91 178.55 3kdy h ASP 366 N 0.51 0.58 0.05 1.22 5.19 -1.09 -0.05 116.42 122.83 3kdy h ASP 366 Ca -0.01 -0.04 -0.15 0.00 -0.62 0.00 0.00 57.03 56.21 3kdy h ASP 366 Cb 1.21 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.56 3kdy h ASP 366 CO 0.12 0.49 -0.50 -0.26 -3.12 0.00 0.00 179.24 175.97 3kdy h PHE 367 N 0.65 0.62 -0.33 4.55 0.04 -0.93 -2.70 116.94 118.84 3kdy h PHE 367 Ca 0.17 -0.20 -0.05 0.00 2.80 0.00 0.00 57.97 60.69 3kdy h PHE 367 Cb 0.05 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.07 3kdy h PHE 367 CO 0.00 0.90 0.03 0.28 -0.60 0.00 0.00 178.31 178.92 3kdy h VAL 368 N 0.40 1.25 -0.52 -0.55 2.07 -0.53 -1.47 116.25 116.89 3kdy h VAL 368 Ca 0.02 -0.89 0.08 0.00 0.82 0.00 0.00 66.70 66.74 3kdy h VAL 368 Cb 1.01 1.18 -0.07 0.00 -1.52 0.00 0.00 31.29 31.90 3kdy h VAL 368 CO 0.09 0.29 0.14 0.74 0.02 0.00 0.00 177.57 178.85 3kdy h THR 369 N 0.38 0.75 -0.36 2.57 2.02 -0.93 0.14 112.91 117.48 3kdy h THR 369 Ca 0.10 -0.10 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 3kdy h THR 369 Cb 0.39 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 3kdy h THR 369 CO 0.01 0.05 0.00 0.40 0.37 0.00 0.00 175.52 176.36 3kdy h ILE 370 N 0.29 1.26 0.15 3.11 2.04 -1.37 -2.20 117.51 120.79 3kdy h ILE 370 Ca 0.26 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 3kdy h ILE 370 Cb 0.33 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 3kdy h ILE 370 CO -0.31 0.33 -0.07 0.00 0.00 0.00 0.00 178.15 178.10 3kdy h ALA 371 N 0.87 -0.20 0.00 1.87 0.00 -0.66 -2.52 119.26 118.62 3kdy h ALA 371 Ca 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3kdy h ALA 371 Cb 0.45 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3kdy h ALA 371 CO 0.02 -0.54 -0.06 -0.07 0.00 0.00 0.00 179.25 178.60 3kdy h LEU 372 N -0.34 0.00 -0.24 0.00 3.38 -0.78 -2.16 115.31 115.17 3kdy h LEU 372 Ca -0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 3kdy h LEU 372 Cb 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3kdy h LEU 372 CO 0.03 0.06 -0.25 0.74 0.09 0.00 0.00 178.44 179.11 3kdy h THR 373 N 0.00 1.32 0.00 0.22 2.02 -1.01 -2.30 112.91 113.15 3kdy h THR 373 Ca -0.00 -1.41 -0.06 0.00 0.77 0.00 0.00 66.41 65.71 3kdy h THR 373 Cb 0.16 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 3kdy h THR 373 CO 0.01 0.44 -0.27 -0.61 0.37 0.00 0.00 175.52 175.46 3kdy h GLN 374 N 0.31 0.00 -0.47 6.66 5.75 -1.00 -1.87 115.11 124.49 3kdy h GLN 374 Ca 0.04 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.44 3kdy h GLN 374 Cb 0.81 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.34 3kdy h GLN 374 CO 0.06 0.27 -0.11 1.25 -2.65 0.00 0.00 178.83 177.66 3kdy h LEU 375 N 0.00 0.84 -0.68 -2.39 5.85 -1.14 -1.89 115.31 115.90 3kdy h LEU 375 Ca -0.00 -0.26 -0.13 0.00 0.84 0.00 0.00 57.88 58.33 3kdy h LEU 375 Cb 0.55 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3kdy h LEU 375 CO 0.04 0.97 -0.38 1.23 -0.34 0.00 0.00 178.44 179.95 3kdy h GLY 376 N 0.97 0.64 1.00 3.75 0.00 -0.84 -2.18 103.07 106.41 3kdy h GLY 376 Ca 0.13 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.83 3kdy h GLY 376 CO 0.04 0.56 0.33 -2.08 0.00 0.00 0.00 176.54 175.40 3kdy h VAL 377 N 0.49 1.14 0.03 4.60 2.07 -0.96 -0.51 116.25 123.11 3kdy h VAL 377 Ca 0.05 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 3kdy h VAL 377 Cb 0.88 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3kdy h VAL 377 CO 0.08 0.14 -0.01 0.25 0.02 0.00 0.00 177.57 178.05 3kdy h LEU 378 N 0.70 -0.03 -0.48 2.57 5.85 -1.23 -2.04 115.31 120.65 3kdy h LEU 378 Ca 0.19 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.77 3kdy h LEU 378 Cb -0.05 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 3kdy h LEU 378 CO -0.04 0.18 0.21 0.00 -0.34 0.00 0.00 178.44 178.45 3kdy h ALA 379 N 0.73 0.60 -0.29 1.25 0.00 -1.23 -1.84 119.26 118.48 3kdy h ALA 379 Ca -0.00 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kdy h ALA 379 Cb 0.22 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3kdy h ALA 379 CO 0.01 -0.16 0.17 1.49 0.00 0.00 0.00 179.25 180.76 3kdy h GLU 380 N 0.42 0.39 0.00 0.00 4.57 -1.04 -1.58 114.58 117.34 3kdy h GLU 380 Ca 0.22 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.35 3kdy h GLU 380 Cb 0.18 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.68 3kdy h GLU 380 CO -0.19 0.31 -0.05 0.00 -1.18 0.00 0.00 179.01 177.90 3kdy h ARG 381 N 0.36 0.00 -0.22 1.92 2.47 -1.07 -0.98 114.38 116.87 3kdy h ARG 381 Ca 0.10 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.70 3kdy h ARG 381 Cb 0.02 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.34 3kdy h ARG 381 CO -0.02 0.05 -0.33 1.96 0.56 0.00 0.00 179.97 182.19 3kdy h GLN 382 N 0.00 0.62 -0.28 0.04 4.20 -0.46 -0.13 115.11 119.10 3kdy h GLN 382 Ca -0.00 -0.37 -0.03 0.00 0.06 0.00 0.00 58.65 58.31 3kdy h GLN 382 Cb 0.16 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 3kdy h GLN 382 CO 0.01 0.98 0.02 0.82 -0.67 0.00 0.00 178.83 179.99 3kdy h ILE 383 N 0.32 1.16 -0.10 2.54 2.04 -0.53 -2.06 117.51 120.87 3kdy h ILE 383 Ca 0.02 -0.61 -0.20 0.00 1.00 0.00 0.00 64.86 65.07 3kdy h ILE 383 Cb 0.92 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 3kdy h ILE 383 CO 0.08 0.21 -0.77 -1.13 0.00 0.00 0.00 178.15 176.54 3kdy h ASN 384 N 0.40 0.68 -0.39 1.72 -1.24 -1.10 -2.66 115.58 113.00 3kdy h ASN 384 Ca 0.09 -0.46 -0.04 0.00 0.71 0.00 0.00 56.30 56.61 3kdy h ASN 384 Cb 0.24 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 39.06 3kdy h ASN 384 CO 0.00 1.22 0.11 -0.09 -1.29 0.00 0.00 177.43 177.39 3kdy h ARG 385 N 0.38 0.69 0.00 6.67 9.65 -0.36 -2.09 114.38 129.33 3kdy h ARG 385 Ca -0.04 -0.13 -0.12 0.00 -1.10 0.00 0.00 59.98 58.58 3kdy h ARG 385 Cb 1.37 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.82 3kdy h ARG 385 CO 0.14 0.63 -0.90 -0.24 2.80 0.00 0.00 179.97 182.41 3kdy h VAL 386 N 0.67 0.67 0.00 0.20 3.04 -1.42 -2.46 116.25 116.95 3kdy h VAL 386 Ca 0.15 -2.06 0.00 0.00 -1.01 0.00 0.00 66.70 63.78 3kdy h VAL 386 Cb 0.26 2.22 0.00 0.00 -2.01 0.00 0.00 31.29 31.75 3kdy h VAL 386 CO -0.00 0.38 -0.63 -0.07 -1.01 0.00 0.00 177.57 176.24 3kdy h LEU 387 N 0.00 0.00 -8.45 3.16 3.38 -1.27 -3.43 115.31 108.70 3kdy h LEU 387 Ca -0.07 -0.13 -0.68 0.00 0.09 0.00 0.00 57.88 57.09 3kdy h LEU 387 Cb 1.45 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 42.02 3kdy h LEU 387 CO 0.05 0.07 0.06 0.21 0.09 0.00 0.00 178.44 178.92 3kdy s ASN 388 N -4.67 6.25 0.55 -0.43 3.84 -0.80 -1.65 114.94 118.03 3kdy s ASN 388 Ca 0.05 -0.74 0.43 0.00 0.21 0.00 0.00 52.86 52.81 3kdy s ASN 388 Cb 0.12 -2.29 1.64 0.00 -0.55 0.00 0.00 41.25 40.16 3kdy s ASN 388 CO 0.73 -0.85 1.69 0.08 -2.79 0.00 0.00 177.10 175.96 3kdy h ARG 389 N 8.95 0.00 0.02 0.43 0.11 -1.84 2.20 114.38 124.25 3kdy h ARG 389 Ca -0.27 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.59 3kdy h ARG 389 Cb 1.10 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.15 3kdy h ARG 389 CO 0.93 0.00 -1.03 0.45 0.10 0.00 0.00 179.97 180.42 3kdy h HIS 390 N 0.00 0.08 -0.01 4.08 3.86 -1.92 -3.28 115.15 117.97 3kdy h HIS 390 Ca 0.74 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.89 3kdy h HIS 390 Cb 3.00 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 31.46 3kdy h HIS 390 CO 0.00 1.04 -0.47 1.28 0.86 0.00 0.00 177.93 180.64 3kdy n LEU 391 N -3.39 1.56 0.20 2.43 4.77 0.31 -4.35 117.00 118.53 3kdy n LEU 391 Ca -0.01 -0.71 0.06 0.00 -0.03 0.00 0.00 56.01 55.32 3kdy n LEU 391 Cb 0.95 0.00 0.41 0.00 -2.33 0.00 0.00 43.42 42.45 3kdy n LEU 391 CO 0.48 0.31 0.74 -1.28 -1.33 0.00 0.00 177.39 176.31 3kdy h SER 392 N 1.58 0.00 -0.56 -1.43 0.87 0.36 -3.42 113.55 110.95 3kdy h SER 392 Ca 0.00 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.49 3kdy h SER 392 Cb 0.57 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.53 3kdy h SER 392 CO 0.00 0.33 -0.09 -1.22 -0.53 0.00 0.00 176.83 175.32 3kdy n TYR 393 N -3.66 -0.18 0.00 2.24 4.01 -1.26 -3.90 117.16 114.42 3kdy n TYR 393 Ca -0.01 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3kdy n TYR 393 Cb 0.44 -1.49 0.00 0.00 -0.31 0.00 0.00 39.34 37.98 3kdy n TYR 393 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kdy n GLY 394 N -0.99 2.12 3.58 2.72 0.00 -1.26 -5.09 105.19 106.28 3kdy n GLY 394 Ca -0.04 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 3kdy n GLY 394 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kdy n LEU 395 N 0.00 2.21 -4.74 0.99 4.77 -1.25 -4.93 117.00 114.05 3kdy n LEU 395 Ca 0.00 1.01 -0.31 0.00 -0.03 0.00 0.00 56.01 56.67 3kdy n LEU 395 Cb 0.00 -1.31 0.11 0.00 -2.33 0.00 0.00 43.42 39.89 3kdy n LEU 395 CO 0.00 -1.73 0.70 -2.16 -1.33 0.00 0.00 177.39 172.87 3kdy s PRO 396 N -1.97 1.96 -0.26 3.23 0.04 -1.26 -4.54 135.00 132.21 3kdy s PRO 396 Ca 0.64 1.31 -0.40 0.00 0.04 0.00 0.00 61.00 62.59 3kdy s PRO 396 Cb -0.56 -1.85 -0.15 0.00 0.04 0.00 0.00 34.50 31.97 3kdy s PRO 396 CO 0.57 -1.89 1.75 0.39 0.04 0.00 0.00 177.00 177.86 3kdy n GLU 397 N -3.59 1.22 -2.98 4.56 4.71 -1.26 -1.25 120.64 122.05 3kdy n GLU 397 Ca 0.10 0.45 -0.16 0.00 -0.01 0.00 0.00 57.16 57.54 3kdy n GLU 397 Cb 0.53 -2.14 -0.01 0.00 -1.01 0.00 0.00 31.44 28.80 3kdy n GLU 397 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 3kdy n PHE 398 N 5.42 -1.69 -3.83 -0.32 3.01 -0.66 -1.50 117.46 117.89 3kdy n PHE 398 Ca 0.26 0.23 -0.25 0.00 1.01 0.00 0.00 57.45 58.70 3kdy n PHE 398 Cb 0.14 -2.24 0.02 0.00 -0.01 0.00 0.00 39.48 37.38 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 -3.16 -2.73 -4.64 4.37 4.77 -0.38 -2.10 117.00 113.12 3kdy n LEU 399 Ca -0.03 -0.86 -0.43 0.00 -0.03 0.00 0.00 56.01 54.66 3kdy n LEU 399 Cb 0.54 -2.52 -0.03 0.00 -2.33 0.00 0.00 43.42 39.08 3kdy n LEU 399 CO 0.32 0.42 0.82 -0.69 -1.33 0.00 0.00 177.39 176.93 3kdy s VAL 400 N -3.63 4.67 0.07 4.08 1.01 -0.56 -4.66 120.40 121.37 3kdy s VAL 400 Ca 0.18 1.68 -0.31 0.00 0.00 0.00 0.00 61.98 63.53 3kdy s VAL 400 Cb -0.09 -4.28 -0.18 0.00 0.00 0.00 0.00 36.38 31.82 3kdy s VAL 400 CO 0.84 -0.28 1.60 -1.28 0.00 0.00 0.00 175.10 175.98 3kdy h SER 401 N 7.84 -0.67 0.00 3.32 0.87 -1.79 -3.45 113.55 119.66 3kdy h SER 401 Ca -0.21 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 3kdy h SER 401 Cb 1.07 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 3kdy h SER 401 CO 0.96 -0.46 0.00 0.61 -0.53 0.00 0.00 176.83 177.41 3kdy n GLY 402 N -1.35 0.93 3.71 5.77 0.00 -1.26 -5.02 105.19 107.97 3kdy n GLY 402 Ca -0.13 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 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 7.24 1.03 1.61 1.01 -1.26 -5.03 116.67 120.27 3kdy s ASP 403 Ca 0.00 1.50 -0.15 0.00 0.71 0.00 0.00 52.55 54.62 3kdy s ASP 403 Cb 0.00 -2.52 0.21 0.00 1.01 0.00 0.00 42.92 41.62 3kdy s ASP 403 CO 0.00 -0.21 1.13 -2.16 0.21 0.00 0.00 175.17 174.14 3kdy s PRO 404 N 0.93 0.14 0.00 8.23 0.04 -1.26 -2.26 135.00 140.82 3kdy s PRO 404 Ca 0.47 0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.72 3kdy s PRO 404 Cb -0.20 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.61 3kdy s PRO 404 CO 0.25 -2.86 0.00 0.41 0.04 0.00 0.00 177.00 174.84 3kdy n GLY 405 N -1.55 1.13 0.25 0.56 0.00 -1.26 -4.18 105.19 100.15 3kdy n GLY 405 Ca 0.08 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 0.86 -8.61 0.99 5.85 -2.00 -3.42 115.31 108.98 3kdy h LEU 406 Ca 0.00 -0.34 -0.68 0.00 0.84 0.00 0.00 57.88 57.69 3kdy h LEU 406 Cb 0.00 -0.23 -0.29 0.00 0.37 0.00 0.00 40.66 40.51 3kdy h LEU 406 CO 0.00 1.00 -0.84 -1.00 -0.34 0.00 0.00 178.44 177.27 3kdy s HIS 407 N -4.88 2.57 -0.04 1.25 3.76 -0.96 -5.01 115.29 111.99 3kdy s HIS 407 Ca -0.12 -0.58 0.13 0.00 -0.15 0.00 0.00 55.06 54.33 3kdy s HIS 407 Cb 0.11 -1.65 -0.16 0.00 1.11 0.00 0.00 32.58 31.99 3kdy s HIS 407 CO 0.83 -0.12 0.94 0.77 -0.85 0.00 0.00 174.74 176.31 3kdy h SER 408 N 6.03 0.00 0.00 1.40 0.02 -1.89 -3.41 113.55 115.70 3kdy h SER 408 Ca -0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 3kdy h SER 408 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 3kdy h SER 408 CO 0.49 0.82 0.00 0.61 -1.14 0.00 0.00 176.83 177.62 3kdy n GLY 409 N 1.42 2.12 1.11 -3.77 0.00 -1.26 -2.79 105.19 102.03 3kdy n GLY 409 Ca -0.09 -0.21 0.11 0.00 0.00 0.00 0.00 46.02 45.83 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 5.77 0.50 -0.22 1.61 3.01 -0.89 -4.58 117.46 122.65 3kdy n PHE 410 Ca 0.00 -0.26 0.03 0.00 1.01 0.00 0.00 57.45 58.22 3kdy n PHE 410 Cb 0.00 -0.00 0.14 0.00 -0.01 0.00 0.00 39.48 39.61 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 4.27 0.81 0.00 4.37 0.00 -1.74 0.01 119.26 126.99 3kdy h ALA 411 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kdy h ALA 411 Cb 0.96 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3kdy h ALA 411 CO 0.00 -0.31 0.00 0.78 0.00 0.00 0.00 179.25 179.72 3kdy h GLY 412 N 0.28 0.00 1.29 0.00 0.00 -1.85 -3.28 103.07 99.51 3kdy h GLY 412 Ca 0.36 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.47 3kdy h GLY 412 CO -0.44 0.00 -0.80 0.00 0.00 0.00 0.00 176.54 175.30 3kdy h ALA 413 N 2.18 0.36 0.00 3.60 0.00 -1.30 -3.22 119.26 120.88 3kdy h ALA 413 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 3kdy h ALA 413 Cb 0.83 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3kdy h ALA 413 CO 0.00 0.71 0.00 0.37 0.00 0.00 0.00 179.25 180.33 3kdy h GLN 414 N 0.46 0.00 -0.18 0.00 4.15 -1.48 -3.22 115.11 114.83 3kdy h GLN 414 Ca -0.06 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.34 3kdy h GLN 414 Cb 1.42 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.10 3kdy h GLN 414 CO 0.16 0.00 0.00 1.88 -1.93 0.00 0.00 178.83 178.94 3kdy h TYR 415 N 0.00 0.35 -0.28 3.99 0.05 -1.73 -1.87 116.97 117.48 3kdy h TYR 415 Ca 0.00 -0.06 -0.03 0.00 0.05 0.00 0.00 58.73 58.69 3kdy h TYR 415 Cb 0.17 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 37.80 3kdy h TYR 415 CO 0.00 0.52 0.06 -1.00 -1.05 0.00 0.00 178.16 176.69 3kdy h PRO 416 N 0.08 0.41 -0.17 4.88 0.13 -1.77 0.93 132.00 136.48 3kdy h PRO 416 Ca 0.05 -0.06 -0.08 0.00 -0.87 0.00 0.00 66.00 65.04 3kdy h PRO 416 Cb 0.38 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.43 3kdy h PRO 416 CO 0.01 0.39 -0.21 0.00 -0.23 0.00 0.00 178.00 177.96 3kdy h ALA 417 N 1.67 0.26 -0.62 -0.56 0.00 -1.69 -1.21 119.26 117.11 3kdy h ALA 417 Ca 0.10 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 3kdy h ALA 417 Cb 0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3kdy h ALA 417 CO -0.00 0.20 0.17 1.15 0.00 0.00 0.00 179.25 180.77 3kdy h THR 418 N 0.09 1.25 -0.73 0.00 2.02 -1.01 -2.55 112.91 111.98 3kdy h THR 418 Ca 0.02 -0.88 -0.05 0.00 0.77 0.00 0.00 66.41 66.27 3kdy h THR 418 Cb 0.77 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 3kdy h THR 418 CO 0.05 0.33 0.25 0.00 0.37 0.00 0.00 175.52 176.52 3kdy h ALA 419 N 1.05 1.07 -0.29 6.16 0.00 -0.79 -2.78 119.26 123.67 3kdy h ALA 419 Ca 0.20 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3kdy h ALA 419 Cb 0.33 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3kdy h ALA 419 CO -0.00 0.64 -0.12 -0.07 0.00 0.00 0.00 179.25 179.70 3kdy h LEU 420 N 1.07 0.48 -1.00 0.00 3.38 -0.95 -1.37 115.31 116.92 3kdy h LEU 420 Ca 0.24 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3kdy h LEU 420 Cb 0.26 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 3kdy h LEU 420 CO -0.01 0.64 0.59 0.58 0.09 0.00 0.00 178.44 180.33 3kdy h VAL 421 N 0.46 1.25 -0.19 1.22 2.07 -1.18 -0.11 116.25 119.79 3kdy h VAL 421 Ca 0.09 -0.52 -0.16 0.00 0.82 0.00 0.00 66.70 66.92 3kdy h VAL 421 Cb 0.49 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 3kdy h VAL 421 CO 0.03 0.26 -0.52 0.00 0.02 0.00 0.00 177.57 177.36 3kdy h ALA 422 N 1.35 0.32 -0.80 1.67 0.00 -1.37 -2.66 119.26 117.78 3kdy h ALA 422 Ca 0.34 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3kdy h ALA 422 Cb -0.09 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3kdy h ALA 422 CO -0.07 0.51 0.37 1.49 0.00 0.00 0.00 179.25 181.55 3kdy h GLU 423 N 0.38 1.15 -0.58 0.00 4.81 -0.97 -2.19 114.58 117.18 3kdy h GLU 423 Ca -0.01 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 59.01 3kdy h GLU 423 Cb 1.14 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 30.28 3kdy h GLU 423 CO 0.11 0.89 0.20 -0.91 -0.73 0.00 0.00 179.01 178.58 3kdy h ASN 424 N 1.14 0.79 0.70 1.04 2.35 -0.99 -2.03 115.58 118.57 3kdy h ASN 424 Ca 0.27 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 3kdy h ASN 424 Cb 0.13 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.30 3kdy h ASN 424 CO -0.03 0.73 0.00 0.54 -1.65 0.00 0.00 177.43 177.01 3kdy n ARG 425 N -4.31 0.13 0.01 0.81 1.74 -0.84 -2.23 116.66 111.97 3kdy n ARG 425 Ca 0.05 0.35 0.13 0.00 -0.77 0.00 0.00 57.85 57.61 3kdy n ARG 425 Cb 0.19 -1.74 0.44 0.00 -1.02 0.00 0.00 32.46 30.32 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 -1.99 0.08 -2.92 0.55 -2.24 -0.76 -4.73 114.28 102.26 3kdy n THR 426 Ca 0.03 -0.05 -0.43 0.00 -2.27 0.00 0.00 64.05 61.33 3kdy n THR 426 Cb 0.22 -0.21 -0.05 0.00 -2.10 0.00 0.00 70.33 68.19 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 -3.02 4.62 0.25 2.28 1.01 -0.95 -5.04 121.20 120.35 3kdy s ILE 427 Ca 0.12 0.64 0.04 0.00 0.00 0.00 0.00 60.65 61.45 3kdy s ILE 427 Cb 0.17 -4.33 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 3kdy s ILE 427 CO 0.61 -0.68 0.39 -0.83 0.00 0.00 0.00 174.94 174.44 3kdy s GLY 428 N 2.09 1.30 0.31 6.18 0.00 -1.26 -4.99 107.32 110.95 3kdy s GLY 428 Ca 0.32 -1.13 -0.28 0.00 0.00 0.00 0.00 44.72 43.63 3kdy s GLY 428 CO 0.22 -1.13 1.18 -1.05 0.00 0.00 0.00 173.10 172.32 3kdy n PRO 429 N -1.38 1.79 -0.00 2.90 -0.02 -1.26 -4.91 135.00 132.11 3kdy n PRO 429 Ca -0.08 0.63 0.03 0.00 -2.02 0.00 0.00 63.50 62.06 3kdy n PRO 429 Cb 0.56 -2.13 -0.05 0.00 -0.02 0.00 0.00 33.50 31.87 3kdy n PRO 429 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kdy n ALA 430 N 0.43 2.45 0.22 3.55 0.00 -1.26 -4.58 120.51 121.32 3kdy n ALA 430 Ca 0.07 -0.17 0.05 0.00 0.00 0.00 0.00 53.44 53.39 3kdy n ALA 430 Cb 0.34 -0.24 0.25 0.00 0.00 0.00 0.00 19.45 19.79 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 -1.57 0.18 -0.55 0.00 3.41 -1.25 -1.49 113.62 112.35 3kdy n SER 431 Ca -0.01 0.56 0.05 0.00 -0.26 0.00 0.00 58.87 59.22 3kdy n SER 431 Cb 0.16 -0.59 0.14 0.00 -0.26 0.00 0.00 64.21 63.65 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 -1.72 1.12 -1.37 6.66 -2.24 -1.26 -4.64 114.28 110.82 3kdy n THR 432 Ca 0.01 -1.09 -0.25 0.00 -2.27 0.00 0.00 64.05 60.45 3kdy n THR 432 Cb 0.08 0.43 0.13 0.00 -2.10 0.00 0.00 70.33 68.87 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 0.24 2.45 -1.73 -0.78 1.13 -0.55 -5.02 117.38 113.11 3kdy n GLN 433 Ca 0.11 -3.24 -0.42 0.00 -1.94 0.00 0.00 57.00 51.50 3kdy n GLN 433 Cb 0.44 -2.17 -0.01 0.00 0.11 0.00 0.00 30.24 28.61 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 -1.03 3.48 -4.02 1.08 2.88 -1.26 -4.97 113.62 109.79 3kdy n SER 434 Ca 0.55 1.18 -0.27 0.00 -1.33 0.00 0.00 58.87 59.00 3kdy n SER 434 Cb 1.15 -1.56 -0.17 0.00 -0.75 0.00 0.00 64.21 62.89 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 -0.52 1.32 0.55 2.46 1.01 -1.26 -4.92 120.40 119.03 3kdy s VAL 435 Ca 0.60 -0.53 -0.21 0.00 0.00 0.00 0.00 61.98 61.84 3kdy s VAL 435 Cb -0.53 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.58 3kdy s VAL 435 CO 0.55 0.41 1.25 -2.16 0.00 0.00 0.00 175.10 175.15 3kdy s PRO 436 N 1.07 3.21 0.19 2.72 0.04 -1.26 -4.78 135.00 136.19 3kdy s PRO 436 Ca -0.06 1.96 -0.23 0.00 0.04 0.00 0.00 61.00 62.72 3kdy s PRO 436 Cb -0.15 -2.16 0.07 0.00 0.04 0.00 0.00 34.50 32.31 3kdy s PRO 436 CO -0.02 -1.05 0.99 -1.54 0.04 0.00 0.00 177.00 175.41 3kdy s SER 437 N -1.31 -0.06 -1.05 6.66 1.04 -1.12 -4.94 113.70 112.91 3kdy s SER 437 Ca 0.72 -0.62 -0.03 0.00 0.48 0.00 0.00 55.95 56.50 3kdy s SER 437 Cb -0.34 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.28 3kdy s SER 437 CO 0.39 -1.03 0.90 -3.20 0.98 0.00 0.00 173.24 171.28 3kdy n ASN 438 N -0.95 -4.31 -2.69 7.02 5.15 -1.26 -1.92 115.26 116.29 3kdy n ASN 438 Ca -0.05 -0.63 -0.21 0.00 -0.60 0.00 0.00 54.58 53.10 3kdy n ASN 438 Cb 0.60 -4.89 0.01 0.00 -0.53 0.00 0.00 39.78 34.97 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 -1.19 -0.51 3.22 8.20 0.00 -1.26 -0.79 105.19 112.85 3kdy n GLY 439 Ca -0.16 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.22 -1.05 -0.02 1.61 8.00 -1.08 -4.84 116.55 116.96 3kdy n ASP 440 Ca -0.18 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.35 3kdy n ASP 440 Cb 0.65 -1.31 0.39 0.00 -0.02 0.00 0.00 41.12 40.83 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 0.50 -2.41 -2.24 -0.73 -0.88 -2.79 115.58 107.04 3kdy h ASN 441 Ca 0.00 -0.03 -0.71 0.00 1.87 0.00 0.00 56.30 57.43 3kdy h ASN 441 Cb 0.11 -0.13 -0.34 0.00 0.27 0.00 0.00 38.32 38.23 3kdy h ASN 441 CO 0.00 0.40 0.24 0.00 -0.37 0.00 0.00 177.43 177.71 3kdy n GLN 442 N -4.43 4.10 0.26 6.67 6.02 -0.81 -4.82 117.38 124.37 3kdy n GLN 442 Ca 0.03 -4.69 0.15 0.00 -0.01 0.00 0.00 57.00 52.48 3kdy n GLN 442 Cb 0.09 -2.38 0.61 0.00 1.02 0.00 0.00 30.24 29.58 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 4.20 0.00 -3.12 1.08 3.04 -1.72 -2.96 116.42 116.94 3kdy h ASP 443 Ca 0.29 0.00 -0.47 0.00 -3.24 0.00 0.00 57.03 53.61 3kdy h ASP 443 Cb 0.50 0.00 -0.41 0.00 -1.04 0.00 0.00 39.33 38.39 3kdy h ASP 443 CO 1.06 0.05 -0.75 -0.69 -2.04 0.00 0.00 179.24 176.87 3kdy s VAL 444 N -3.65 0.07 0.30 4.15 1.01 -1.26 -4.27 120.40 116.76 3kdy s VAL 444 Ca 0.01 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 61.78 3kdy s VAL 444 Cb 0.09 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.82 3kdy s VAL 444 CO 0.57 -0.23 0.15 1.33 0.00 0.00 0.00 175.10 176.92 3kdy n VAL 445 N 5.22 0.00 0.00 2.92 0.24 -1.26 -5.07 118.33 120.37 3kdy n VAL 445 Ca -0.07 -1.29 0.00 0.00 -2.04 0.00 0.00 64.34 60.94 3kdy n VAL 445 Cb 0.49 -0.06 -0.00 0.00 -1.47 0.00 0.00 33.84 32.80 3kdy n VAL 445 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3kdy n SER 446 N -1.66 3.78 -3.38 -1.34 3.41 -0.84 -4.55 113.62 109.03 3kdy n SER 446 Ca -0.05 -0.12 -0.23 0.00 -0.26 0.00 0.00 58.87 58.20 3kdy n SER 446 Cb 0.36 1.00 -0.01 0.00 -0.26 0.00 0.00 64.21 65.30 3kdy n SER 446 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3kdy n MET 447 N -1.38 -3.26 -0.31 4.33 2.81 0.17 -3.97 117.12 115.52 3kdy n MET 447 Ca -0.00 0.45 -0.01 0.00 -1.81 0.00 0.00 57.70 56.33 3kdy n MET 447 Cb 0.00 -5.14 0.12 0.00 -0.71 0.00 0.00 33.22 27.48 3kdy n MET 447 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3kdy h GLY 448 N -0.94 1.24 1.35 3.03 0.00 -1.82 -2.16 103.07 103.78 3kdy h GLY 448 Ca -0.42 -0.40 0.01 0.00 0.00 0.00 0.00 47.33 46.52 3kdy h GLY 448 CO 0.53 0.32 0.43 -2.00 0.00 0.00 0.00 176.54 175.82 3kdy h LEU 449 N 1.02 0.72 -0.53 3.11 5.85 -1.88 -0.41 115.31 123.20 3kdy h LEU 449 Ca 0.35 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.97 3kdy h LEU 449 Cb 0.06 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 3kdy h LEU 449 CO -0.14 0.52 0.02 0.40 -0.34 0.00 0.00 178.44 178.90 3kdy h ILE 450 N 0.85 1.26 -0.46 4.05 2.04 -1.71 -2.03 117.51 121.50 3kdy h ILE 450 Ca 0.24 -1.08 0.01 0.00 1.00 0.00 0.00 64.86 65.03 3kdy h ILE 450 Cb -0.07 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 3kdy h ILE 450 CO -0.06 0.38 0.30 0.28 0.00 0.00 0.00 178.15 179.06 3kdy h SER 451 N 0.80 0.51 -0.83 1.72 0.02 -0.81 -1.07 113.55 113.90 3kdy h SER 451 Ca 0.15 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 3kdy h SER 451 Cb 0.51 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.89 3kdy h SER 451 CO 0.02 0.37 0.45 0.00 -1.14 0.00 0.00 176.83 176.53 3kdy h ALA 452 N 1.18 1.06 -0.65 3.77 0.00 -0.96 -2.33 119.26 121.33 3kdy h ALA 452 Ca 0.17 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3kdy h ALA 452 Cb -0.05 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.38 3kdy h ALA 452 CO -0.05 0.58 0.10 0.00 0.00 0.00 0.00 179.25 179.88 3kdy h ARG 453 N 1.16 1.09 -0.55 0.00 3.08 -1.04 -1.66 114.38 116.46 3kdy h ARG 453 Ca 0.29 -0.30 0.09 0.00 0.07 0.00 0.00 59.98 60.14 3kdy h ARG 453 Cb 0.04 -0.12 -0.07 0.00 0.08 0.00 0.00 29.97 29.89 3kdy h ARG 453 CO -0.05 1.00 0.14 -0.91 -1.07 0.00 0.00 179.97 179.09 3kdy h ASN 454 N 1.00 0.07 0.00 7.04 2.35 -0.68 0.92 115.58 126.28 3kdy h ASN 454 Ca 0.20 0.09 -0.12 0.00 -0.55 0.00 0.00 56.30 55.92 3kdy h ASN 454 Cb 0.45 0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 3kdy h ASN 454 CO 0.01 0.06 -0.36 0.00 -1.65 0.00 0.00 177.43 175.49 3kdy h ALA 455 N 1.41 0.97 -0.25 -0.83 0.00 -1.20 -2.41 119.26 116.96 3kdy h ALA 455 Ca 0.28 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3kdy h ALA 455 Cb 0.37 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3kdy h ALA 455 CO -0.33 0.61 -0.02 -0.09 0.00 0.00 0.00 179.25 179.42 3kdy h ARG 456 N 0.41 0.37 0.01 0.00 2.43 -0.14 -0.41 114.38 117.04 3kdy h ARG 456 Ca 0.04 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3kdy h ARG 456 Cb 0.81 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 3kdy h ARG 456 CO 0.07 0.41 -0.00 -0.09 -1.51 0.00 0.00 179.97 178.84 3kdy h ARG 457 N 0.36 -0.01 -0.34 0.20 2.43 -0.56 -2.19 114.38 114.26 3kdy h ARG 457 Ca 0.08 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 3kdy h ARG 457 Cb 0.27 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 3kdy h ARG 457 CO 0.01 0.70 0.11 0.28 -1.51 0.00 0.00 179.97 179.56 3kdy h VAL 458 N -0.74 1.15 -0.27 0.20 2.07 -1.38 0.13 116.25 117.41 3kdy h VAL 458 Ca -0.00 -0.49 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 3kdy h VAL 458 Cb 0.71 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3kdy h VAL 458 CO 0.00 0.18 -0.01 0.25 0.02 0.00 0.00 177.57 178.02 3kdy h LEU 459 N 0.49 0.48 -0.60 2.57 5.85 -1.10 0.25 115.31 123.24 3kdy h LEU 459 Ca 0.12 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.46 3kdy h LEU 459 Cb 0.14 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3kdy h LEU 459 CO -0.01 0.68 0.13 -1.28 -0.34 0.00 0.00 178.44 177.62 3kdy h SER 460 N 0.27 0.92 -0.58 1.25 0.87 -0.88 -2.80 113.55 112.59 3kdy h SER 460 Ca 0.08 -0.24 -0.04 0.00 -1.23 0.00 0.00 61.79 60.36 3kdy h SER 460 Cb 0.44 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.12 3kdy h SER 460 CO 0.02 0.93 0.24 0.78 -0.53 0.00 0.00 176.83 178.27 3kdy h ASN 461 N 0.88 0.83 0.29 6.23 2.35 -0.61 -2.57 115.58 122.98 3kdy h ASN 461 Ca 0.19 -0.11 -0.05 0.00 -0.55 0.00 0.00 56.30 55.77 3kdy h ASN 461 Cb 0.38 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 3kdy h ASN 461 CO 0.01 0.75 -0.23 0.78 -1.65 0.00 0.00 177.43 177.08 3kdy h ASN 462 N 0.89 0.00 -0.41 5.81 2.35 -0.69 -2.43 115.58 121.10 3kdy h ASN 462 Ca 0.21 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.90 3kdy h ASN 462 Cb 0.18 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 3kdy h ASN 462 CO -0.02 0.23 0.07 0.78 -1.65 0.00 0.00 177.43 176.84 3kdy h ASN 463 N 0.00 0.70 0.10 5.81 2.35 -1.25 -0.14 115.58 123.16 3kdy h ASN 463 Ca -0.00 -0.14 -0.19 0.00 -0.55 0.00 0.00 56.30 55.42 3kdy h ASN 463 Cb 0.44 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.62 3kdy h ASN 463 CO 0.03 0.73 -0.70 0.11 -1.65 0.00 0.00 177.43 175.94 3kdy h LYS 464 N 0.72 0.54 0.14 0.81 1.57 -1.49 -0.72 116.57 118.14 3kdy h LYS 464 Ca 0.15 -0.42 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 3kdy h LYS 464 Cb 0.33 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3kdy h LYS 464 CO 0.01 1.05 -0.06 0.82 -0.57 0.00 0.00 179.45 180.69 3kdy h ILE 465 N 0.38 0.94 0.00 1.86 2.04 -1.08 -2.22 117.51 119.43 3kdy h ILE 465 Ca -0.03 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.48 3kdy h ILE 465 Cb 1.29 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 3kdy h ILE 465 CO 0.13 0.07 -0.20 -0.07 0.00 0.00 0.00 178.15 178.09 3kdy h LEU 466 N -0.33 0.00 -0.61 1.44 3.38 -1.05 -2.10 115.31 116.04 3kdy h LEU 466 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3kdy h LEU 466 Cb 0.26 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3kdy h LEU 466 CO 0.03 0.20 0.38 0.00 0.09 0.00 0.00 178.44 179.14 3kdy h ALA 467 N 1.80 0.78 -0.06 1.53 0.00 -0.69 0.48 119.26 123.10 3kdy h ALA 467 Ca -0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 3kdy h ALA 467 Cb 0.36 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3kdy h ALA 467 CO 0.03 0.24 -0.52 0.28 0.00 0.00 0.00 179.25 179.28 3kdy h VAL 468 N 0.83 1.36 -0.31 0.00 2.07 -0.93 -2.25 116.25 117.01 3kdy h VAL 468 Ca 0.22 -1.79 -0.15 0.00 0.82 0.00 0.00 66.70 65.80 3kdy h VAL 468 Cb -0.04 1.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 3kdy h VAL 468 CO -0.04 0.52 -0.40 -0.08 0.02 0.00 0.00 177.57 177.60 3kdy h GLU 469 N 0.12 0.82 -0.08 1.57 4.81 -0.67 -1.02 114.58 120.13 3kdy h GLU 469 Ca 0.00 -0.46 -0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3kdy h GLU 469 Cb 0.96 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.37 3kdy h GLU 469 CO 0.08 1.10 0.04 1.88 -0.73 0.00 0.00 179.01 181.37 3kdy h TYR 470 N 0.59 0.12 -0.02 0.92 -1.99 0.05 0.10 116.97 116.73 3kdy h TYR 470 Ca 0.04 -0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.76 3kdy h TYR 470 Cb 0.99 -0.04 -0.00 0.00 2.00 0.00 0.00 36.73 39.68 3kdy h TYR 470 CO 0.07 0.21 0.01 -0.07 -0.00 0.00 0.00 178.16 178.38 3kdy h LEU 471 N -0.01 0.02 -0.70 3.88 3.38 -1.42 -0.64 115.31 119.82 3kdy h LEU 471 Ca 0.03 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 57.98 3kdy h LEU 471 Cb 0.14 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 3kdy h LEU 471 CO -0.00 0.07 0.42 0.00 0.09 0.00 0.00 178.44 179.02 3kdy h ALA 472 N 0.95 0.93 -0.04 1.53 0.00 -1.11 -0.98 119.26 120.54 3kdy h ALA 472 Ca 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kdy h ALA 472 Cb 0.05 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3kdy h ALA 472 CO -0.00 0.16 0.03 0.00 0.00 0.00 0.00 179.25 179.43 3kdy h ALA 473 N 1.33 0.06 -0.82 0.00 0.00 -0.52 -0.15 119.26 119.16 3kdy h ALA 473 Ca 0.29 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.21 3kdy h ALA 473 Cb 0.09 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 3kdy h ALA 473 CO -0.14 -0.42 0.54 0.00 0.00 0.00 0.00 179.25 179.23 3kdy h ALA 474 N 0.96 1.49 -0.52 0.00 0.00 -0.79 -1.80 119.26 118.61 3kdy h ALA 474 Ca 0.02 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3kdy h ALA 474 Cb 0.05 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3kdy h ALA 474 CO -0.00 0.43 -0.12 0.37 0.00 0.00 0.00 179.25 179.93 3kdy h GLN 475 N 1.02 0.98 -0.48 0.00 5.75 -0.76 -2.56 115.11 119.07 3kdy h GLN 475 Ca 0.32 -0.36 -0.02 0.00 -0.15 0.00 0.00 58.65 58.44 3kdy h GLN 475 Cb 0.02 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.48 3kdy h GLN 475 CO -0.09 1.03 0.19 0.00 -2.65 0.00 0.00 178.83 177.31 3kdy h ALA 476 N 0.99 1.44 0.42 3.38 0.00 -0.23 -1.86 119.26 123.40 3kdy h ALA 476 Ca 0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3kdy h ALA 476 Cb 0.67 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3kdy h ALA 476 CO 0.05 0.43 -0.22 0.28 0.00 0.00 0.00 179.25 179.79 3kdy h VAL 477 N 0.68 0.00 0.00 0.00 2.07 -0.96 -2.86 116.25 115.18 3kdy h VAL 477 Ca 0.17 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.69 3kdy h VAL 477 Cb 0.13 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 3kdy h VAL 477 CO -0.02 0.00 0.00 -0.90 0.02 0.00 0.00 177.57 176.67 3kdy n ASP 478 N -3.66 0.85 -0.02 0.57 5.68 -1.10 -2.18 116.55 116.69 3kdy n ASP 478 Ca -0.07 -1.94 0.06 0.00 -0.50 0.00 0.00 54.79 52.33 3kdy n ASP 478 Cb 0.24 -0.42 -0.12 0.00 -1.14 0.00 0.00 41.12 39.67 3kdy n ASP 478 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3kdy n ILE 479 N -0.05 0.16 -0.04 2.12 3.06 -0.71 -4.46 119.36 119.43 3kdy n ILE 479 Ca 0.00 -0.40 0.00 0.00 -2.50 0.00 0.00 62.75 59.85 3kdy n ILE 479 Cb 0.21 0.02 0.00 0.00 0.54 0.00 0.00 39.64 40.41 3kdy n ILE 479 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 3kdy n SER 480 N -2.13 1.36 -3.51 9.51 3.41 -1.07 -4.99 113.62 116.20 3kdy n SER 480 Ca -0.06 -1.40 -0.19 0.00 -0.26 0.00 0.00 58.87 56.95 3kdy n SER 480 Cb 0.50 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.51 3kdy n SER 480 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kdy n GLY 481 N -0.20 -0.56 0.53 5.00 0.00 -0.93 -4.92 105.19 104.11 3kdy n GLY 481 Ca 0.00 0.24 0.06 0.00 0.00 0.00 0.00 46.02 46.32 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 -4.00 2.72 -0.18 1.61 1.74 -1.08 -4.69 116.66 112.78 3kdy n ARG 482 Ca -0.23 -2.26 -0.06 0.00 -0.77 0.00 0.00 57.85 54.53 3kdy n ARG 482 Cb 0.66 -1.42 0.04 0.00 -1.02 0.00 0.00 32.46 30.71 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 1.35 0.64 0.00 -1.55 3.57 -1.92 -1.84 116.94 117.19 3kdy h PHE 483 Ca 0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 3kdy h PHE 483 Cb 0.94 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.47 3kdy h PHE 483 CO 0.24 0.38 -0.07 -0.44 -2.23 0.00 0.00 178.31 176.19 3kdy h ASP 484 N 0.68 0.00 1.72 0.41 3.32 -1.98 -1.11 116.42 119.46 3kdy h ASP 484 Ca 0.21 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 3kdy h ASP 484 Cb -0.02 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3kdy h ASP 484 CO -0.08 0.07 -0.28 1.23 -1.72 0.00 0.00 179.24 178.46 3kdy h GLY 485 N 0.32 0.00 -2.55 2.75 0.00 -1.69 -3.47 103.07 98.42 3kdy h GLY 485 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 3kdy h GLY 485 CO 0.01 0.00 0.12 1.04 0.00 0.00 0.00 176.54 177.71 3kdy n LEU 486 N -3.09 3.75 -4.96 3.11 4.77 -0.42 -0.27 117.00 119.89 3kdy n LEU 486 Ca 0.03 0.79 -0.27 0.00 -0.03 0.00 0.00 56.01 56.52 3kdy n LEU 486 Cb 0.60 -1.39 0.16 0.00 -2.33 0.00 0.00 43.42 40.46 3kdy n LEU 486 CO 0.37 -1.90 0.73 -0.94 -1.33 0.00 0.00 177.39 174.32 3kdy s SER 487 N -1.30 3.59 0.28 -1.43 1.04 -1.26 -4.64 113.70 109.98 3kdy s SER 487 Ca 0.77 -0.08 -0.01 0.00 0.48 0.00 0.00 55.95 57.11 3kdy s SER 487 Cb -0.41 -0.08 0.46 0.00 0.10 0.00 0.00 66.02 66.10 3kdy s SER 487 CO 0.46 -2.39 1.90 -0.65 0.98 0.00 0.00 173.24 173.54 3kdy h PRO 488 N -1.17 1.08 0.09 4.02 0.11 -1.79 -0.58 132.00 133.77 3kdy h PRO 488 Ca -0.40 -0.07 -0.14 0.00 0.11 0.00 0.00 66.00 65.51 3kdy h PRO 488 Cb 1.24 -0.24 0.02 0.00 0.11 0.00 0.00 31.00 32.13 3kdy h PRO 488 CO 0.37 0.72 -0.60 0.00 -0.21 0.00 0.00 178.00 178.28 3kdy h ALA 489 N 1.48 -0.05 -0.32 -0.75 0.00 -1.88 -3.00 119.26 114.73 3kdy h ALA 489 Ca 0.41 -0.63 0.06 0.00 0.00 0.00 0.00 54.91 54.75 3kdy h ALA 489 Cb 0.18 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 3kdy h ALA 489 CO -0.16 0.28 0.01 0.00 0.00 0.00 0.00 179.25 179.38 3kdy h ALA 490 N 0.09 0.30 -0.60 0.00 0.00 -1.69 0.65 119.26 118.01 3kdy h ALA 490 Ca -0.10 0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.01 3kdy h ALA 490 Cb 1.45 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 19.30 3kdy h ALA 490 CO 0.11 -0.39 0.14 0.87 0.00 0.00 0.00 179.25 179.98 3kdy h LYS 491 N 0.11 0.27 -0.50 0.00 1.57 -1.20 0.78 116.57 117.60 3kdy h LYS 491 Ca 0.16 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 3kdy h LYS 491 Cb 0.21 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 3kdy h LYS 491 CO -0.25 0.18 0.32 0.00 -0.57 0.00 0.00 179.45 179.12 3kdy h ALA 492 N 1.48 0.63 0.38 3.86 0.00 -1.09 0.22 119.26 124.74 3kdy h ALA 492 Ca 0.32 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 3kdy h ALA 492 Cb 0.47 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3kdy h ALA 492 CO -0.39 0.05 -0.18 1.15 0.00 0.00 0.00 179.25 179.87 3kdy h THR 493 N 0.65 0.62 -0.83 0.00 2.02 0.82 -1.57 112.91 114.63 3kdy h THR 493 Ca 0.19 -0.28 0.14 0.00 0.77 0.00 0.00 66.41 67.23 3kdy h THR 493 Cb -0.05 0.76 -0.09 0.00 -1.74 0.00 0.00 68.15 67.03 3kdy h THR 493 CO -0.06 0.05 0.41 0.22 0.37 0.00 0.00 175.52 176.52 3kdy h TYR 494 N -0.68 0.72 -0.13 3.16 3.20 0.68 -1.65 116.97 122.28 3kdy h TYR 494 Ca -0.05 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.85 3kdy h TYR 494 Cb 0.48 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 3kdy h TYR 494 CO -0.01 0.16 0.08 1.49 -1.64 0.00 0.00 178.16 178.24 3kdy h GLU 495 N 0.59 0.16 -0.61 1.82 4.57 -0.40 -2.50 114.58 118.21 3kdy h GLU 495 Ca 0.45 -0.01 0.15 0.00 -1.18 0.00 0.00 59.36 58.77 3kdy h GLU 495 Cb 0.64 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.16 3kdy h GLU 495 CO -0.37 0.11 0.43 0.00 -1.18 0.00 0.00 179.01 178.00 3kdy h ALA 496 N 1.05 2.37 0.10 2.92 0.00 -0.32 -2.20 119.26 123.17 3kdy h ALA 496 Ca 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3kdy h ALA 496 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3kdy h ALA 496 CO -0.01 -0.54 -0.05 0.28 0.00 0.00 0.00 179.25 178.93 3kdy h VAL 497 N 0.14 1.12 -0.47 0.00 2.07 -1.13 -3.29 116.25 114.70 3kdy h VAL 497 Ca 0.29 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.55 3kdy h VAL 497 Cb 0.96 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 3kdy h VAL 497 CO -0.04 0.29 0.31 0.03 0.02 0.00 0.00 177.57 178.17 3kdy h ARG 498 N -0.76 0.62 -0.02 1.57 2.47 -1.26 0.17 114.38 117.16 3kdy h ARG 498 Ca -0.01 -0.04 0.01 0.00 -1.26 0.00 0.00 59.98 58.68 3kdy h ARG 498 Cb 0.57 -0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 28.75 3kdy h ARG 498 CO 0.02 0.41 0.13 0.00 0.56 0.00 0.00 179.97 181.09 3kdy h ARG 499 N 0.63 0.00 0.00 0.04 3.08 -1.47 -2.91 114.38 113.75 3kdy h ARG 499 Ca 0.17 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.04 3kdy h ARG 499 Cb -0.07 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 3kdy h ARG 499 CO -0.04 0.00 -1.67 1.28 -1.07 0.00 0.00 179.97 178.47 3kdy n LEU 500 N -3.15 2.97 -3.90 3.04 4.77 -0.50 -5.02 117.00 115.21 3kdy n LEU 500 Ca -0.02 -0.06 -0.19 0.00 -0.03 0.00 0.00 56.01 55.71 3kdy n LEU 500 Cb 0.20 -0.41 -0.16 0.00 -2.33 0.00 0.00 43.42 40.72 3kdy n LEU 500 CO 0.19 0.70 -0.41 -0.69 -1.33 0.00 0.00 177.39 175.85 3kdy s VAL 501 N -2.24 0.49 0.83 4.08 1.01 0.48 -5.05 120.40 120.01 3kdy s VAL 501 Ca -0.16 -0.13 -0.11 0.00 0.00 0.00 0.00 61.98 61.58 3kdy s VAL 501 Cb 0.04 -0.51 0.09 0.00 0.00 0.00 0.00 36.38 36.01 3kdy s VAL 501 CO 0.27 0.20 1.10 -2.84 0.00 0.00 0.00 175.10 173.83 3kdy s PRO 502 N 0.71 1.78 0.54 2.72 0.02 -1.26 -3.55 135.00 135.97 3kdy s PRO 502 Ca -0.09 0.71 -0.20 0.00 0.02 0.00 0.00 61.00 61.43 3kdy s PRO 502 Cb -0.12 -1.88 -0.05 0.00 0.02 0.00 0.00 34.50 32.47 3kdy s PRO 502 CO 0.00 -1.85 1.21 -0.08 -0.33 0.00 0.00 177.00 175.96 3kdy s THR 503 N -3.07 2.72 -0.55 0.99 -1.32 -1.26 -4.92 115.64 108.23 3kdy s THR 503 Ca 0.62 0.49 -0.28 0.00 -1.21 0.00 0.00 61.69 61.31 3kdy s THR 503 Cb -0.16 -3.22 0.02 0.00 -1.51 0.00 0.00 72.50 67.63 3kdy s THR 503 CO 0.55 -0.06 1.34 -0.22 -2.21 0.00 0.00 174.62 174.02 3kdy s LEU 504 N -3.66 3.44 -0.18 9.08 2.96 -1.26 -4.86 118.68 124.20 3kdy s LEU 504 Ca 0.72 0.30 -0.24 0.00 -0.22 0.00 0.00 54.13 54.69 3kdy s LEU 504 Cb -0.31 -3.16 -0.22 0.00 0.50 0.00 0.00 46.19 43.01 3kdy s LEU 504 CO 0.35 -1.60 0.44 1.23 -1.32 0.00 0.00 176.35 175.45 3kdy h GLY 505 N 12.60 0.00 -3.75 7.98 0.00 -1.98 -3.41 103.07 114.51 3kdy h GLY 505 Ca -0.26 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.95 3kdy h GLY 505 CO 1.17 0.00 -0.51 -1.34 0.00 0.00 0.00 176.54 175.86 3kdy s VAL 506 N -2.30 0.15 0.09 4.60 -7.23 -1.26 -4.24 120.40 110.20 3kdy s VAL 506 Ca -0.25 -1.20 -0.35 0.00 -1.81 0.00 0.00 61.98 58.37 3kdy s VAL 506 Cb 0.02 -1.06 -0.19 0.00 0.56 0.00 0.00 36.38 35.71 3kdy s VAL 506 CO 0.63 -0.66 0.88 0.47 -0.31 0.00 0.00 175.10 176.10 3kdy n ASP 507 N 0.52 -0.36 -3.52 4.85 9.92 -1.26 -4.95 116.55 121.75 3kdy n ASP 507 Ca -0.18 1.15 -0.08 0.00 -0.53 0.00 0.00 54.79 55.15 3kdy n ASP 507 Cb 0.60 -0.95 -0.02 0.00 -0.64 0.00 0.00 41.12 40.10 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 -0.39 0.87 0.07 -1.24 1.70 -1.26 -5.12 118.95 113.58 3kdy s ARG 508 Ca 0.80 -0.34 -0.34 0.00 -0.47 0.00 0.00 55.73 55.38 3kdy s ARG 508 Cb -1.11 0.39 -0.18 0.00 -0.57 0.00 0.00 34.95 33.48 3kdy s ARG 508 CO 0.56 -0.38 0.83 0.98 -1.08 0.00 0.00 175.30 176.21 3kdy n TYR 509 N -0.27 0.22 -0.02 5.89 9.36 -1.26 -4.88 117.16 126.21 3kdy n TYR 509 Ca -0.09 0.98 -0.00 0.00 3.32 0.00 0.00 57.90 62.11 3kdy n TYR 509 Cb 0.62 -1.95 -0.04 0.00 -0.63 0.00 0.00 39.34 37.34 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 1.26 2.05 -0.29 2.98 2.81 -1.26 -4.76 117.12 119.91 3kdy n MET 510 Ca 0.18 -0.02 -0.04 0.00 -1.81 0.00 0.00 57.70 56.02 3kdy n MET 510 Cb 0.13 -1.12 0.01 0.00 -0.71 0.00 0.00 33.22 31.53 3kdy n MET 510 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kdy h ALA 511 N 0.33 0.00 0.10 3.04 0.00 -2.00 -1.44 119.26 119.30 3kdy h ALA 511 Ca -0.08 0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3kdy h ALA 511 Cb 0.90 0.93 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 3kdy h ALA 511 CO 0.00 -0.68 -0.13 -0.44 0.00 0.00 0.00 179.25 178.01 3kdy h ASP 512 N -0.09 -0.35 -0.90 0.00 3.32 -1.99 -1.04 116.42 115.37 3kdy h ASP 512 Ca 0.28 0.04 0.12 0.00 0.02 0.00 0.00 57.03 57.48 3kdy h ASP 512 Cb 0.57 0.13 -0.08 0.00 0.22 0.00 0.00 39.33 40.17 3kdy h ASP 512 CO -0.83 -0.20 0.53 0.44 -1.72 0.00 0.00 179.24 177.46 3kdy h ASP 513 N -0.28 0.74 0.20 6.45 5.19 -1.67 0.13 116.42 127.18 3kdy h ASP 513 Ca 0.01 0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.47 3kdy h ASP 513 Cb 0.28 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.71 3kdy h ASP 513 CO -0.05 0.38 -0.09 0.40 -3.12 0.00 0.00 179.24 176.75 3kdy h ILE 514 N 0.83 0.90 0.00 0.35 2.04 -0.95 -1.92 117.51 118.75 3kdy h ILE 514 Ca 0.45 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 3kdy h ILE 514 Cb 0.49 1.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.86 3kdy h ILE 514 CO -0.28 0.15 -0.06 -0.33 0.00 0.00 0.00 178.15 177.62 3kdy h GLU 515 N -0.61 0.00 -0.01 2.37 3.07 -0.87 -0.98 114.58 117.54 3kdy h GLU 515 Ca -0.03 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.75 3kdy h GLU 515 Cb 0.45 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.36 3kdy h GLU 515 CO 0.04 0.06 -0.33 1.25 -1.40 0.00 0.00 179.01 178.64 3kdy h LEU 516 N 0.00 0.31 -0.97 1.33 5.85 -0.61 -1.25 115.31 119.96 3kdy h LEU 516 Ca -0.00 -0.75 -0.10 0.00 0.84 0.00 0.00 57.88 57.87 3kdy h LEU 516 Cb 0.17 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 3kdy h LEU 516 CO 0.01 1.01 -0.41 0.58 -0.34 0.00 0.00 178.44 179.29 3kdy h VAL 517 N -0.37 1.31 -0.15 1.05 2.07 -1.03 -2.25 116.25 116.87 3kdy h VAL 517 Ca -0.04 -1.51 -0.09 0.00 0.82 0.00 0.00 66.70 65.88 3kdy h VAL 517 Cb 1.05 1.70 -0.00 0.00 -1.52 0.00 0.00 31.29 32.52 3kdy h VAL 517 CO 0.06 0.45 -0.25 0.00 0.02 0.00 0.00 177.57 177.86 3kdy h ALA 518 N 1.40 0.24 0.00 1.67 0.00 -1.23 -1.19 119.26 120.15 3kdy h ALA 518 Ca 0.02 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3kdy h ALA 518 Cb 0.81 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 3kdy h ALA 518 CO 0.06 0.21 -0.03 -0.44 0.00 0.00 0.00 179.25 179.06 3kdy h ASP 519 N 0.06 0.00 0.01 0.00 5.19 -1.10 -1.88 116.42 118.70 3kdy h ASP 519 Ca 0.01 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.34 3kdy h ASP 519 Cb 0.82 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.34 3kdy h ASP 519 CO 0.06 0.03 -0.33 0.00 -3.12 0.00 0.00 179.24 175.87 3kdy h ALA 520 N 1.97 0.03 -0.81 3.45 0.00 -1.26 -3.26 119.26 119.38 3kdy h ALA 520 Ca -0.00 -0.50 0.13 0.00 0.00 0.00 0.00 54.91 54.54 3kdy h ALA 520 Cb 0.05 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.77 3kdy h ALA 520 CO 0.00 0.14 0.41 -0.07 0.00 0.00 0.00 179.25 179.74 3kdy h LEU 521 N -0.44 0.51 -2.45 0.00 3.38 -0.64 0.21 115.31 115.88 3kdy h LEU 521 Ca -0.04 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3kdy h LEU 521 Cb 1.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 3kdy h LEU 521 CO 0.06 0.24 -0.03 0.77 0.09 0.00 0.00 178.44 179.58 3kdy h SER 522 N 0.62 0.00 1.13 -0.43 4.64 -1.43 -0.79 113.55 117.29 3kdy h SER 522 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 3kdy h SER 522 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3kdy h SER 522 CO -0.34 0.03 -0.87 0.03 -0.87 0.00 0.00 176.83 174.81 3kdy h ARG 523 N 0.00 0.00 -0.17 4.77 3.08 -0.65 -3.48 114.38 117.92 3kdy h ARG 523 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kdy h ARG 523 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3kdy h ARG 523 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 3kdy n GLY 524 N 1.17 0.79 0.25 0.04 0.00 -0.30 -4.97 105.19 102.17 3kdy n GLY 524 Ca 0.01 -0.65 0.02 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 0.30 0.13 1.61 4.39 -1.75 -2.44 114.58 116.81 3kdy h GLU 525 Ca 0.00 -0.06 -0.29 0.00 0.34 0.00 0.00 59.36 59.35 3kdy h GLU 525 Cb 0.78 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 3kdy h GLU 525 CO 0.00 0.40 -1.35 0.74 -1.16 0.00 0.00 179.01 177.64 3kdy h PHE 526 N 0.29 0.50 -0.78 4.33 0.04 -1.90 -2.21 116.94 117.20 3kdy h PHE 526 Ca 0.06 -0.36 -0.05 0.00 2.80 0.00 0.00 57.97 60.42 3kdy h PHE 526 Cb 0.33 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.43 3kdy h PHE 526 CO 0.01 1.32 0.30 1.25 -0.60 0.00 0.00 178.31 180.58 3kdy h LEU 527 N 0.07 1.10 -0.05 1.54 5.85 -1.90 -3.05 115.31 118.87 3kdy h LEU 527 Ca -0.17 -0.18 -0.09 0.00 0.84 0.00 0.00 57.88 58.28 3kdy h LEU 527 Cb 1.99 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 42.74 3kdy h LEU 527 CO 0.19 0.98 -0.30 0.08 -0.34 0.00 0.00 178.44 179.05 3kdy h ARG 528 N 1.15 0.30 -1.29 1.25 0.11 -1.51 -3.10 114.38 111.29 3kdy h ARG 528 Ca 0.26 -0.25 0.37 0.00 0.10 0.00 0.00 59.98 60.46 3kdy h ARG 528 Cb 0.24 0.05 -0.05 0.00 1.11 0.00 0.00 29.97 31.32 3kdy h ARG 528 CO -0.02 0.90 0.97 0.00 0.10 0.00 0.00 179.97 181.93 3kdy h ALA 529 N 0.40 3.20 0.01 0.08 0.00 -1.32 0.28 119.26 121.92 3kdy h ALA 529 Ca -0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kdy h ALA 529 Cb 0.97 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3kdy h ALA 529 CO 0.06 -1.64 -0.00 0.82 0.00 0.00 0.00 179.25 178.49 3kdy h ILE 530 N 0.00 1.41 -0.31 0.00 1.08 -1.49 -2.13 117.51 116.07 3kdy h ILE 530 Ca 0.61 -1.98 0.09 0.00 -0.39 0.00 0.00 64.86 63.19 3kdy h ILE 530 Cb 2.55 2.64 -0.01 0.00 -3.07 0.00 0.00 36.82 38.93 3kdy h ILE 530 CO -0.01 0.47 0.23 0.00 -0.69 0.00 0.00 178.15 178.15 3kdy h ALA 531 N -0.16 2.28 -2.84 1.87 0.00 -0.92 -0.45 119.26 119.04 3kdy h ALA 531 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kdy h ALA 531 Cb 0.77 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3kdy h ALA 531 CO 0.00 -0.39 0.00 -2.13 0.00 0.00 0.00 179.25 176.73 3kdy n ARG 532 N -4.42 0.00 0.08 0.00 0.63 -0.51 -2.62 116.66 109.82 3kdy n ARG 532 Ca 0.05 0.01 0.03 0.00 -0.92 0.00 0.00 57.85 57.01 3kdy n ARG 532 Cb 0.40 -0.21 0.15 0.00 0.45 0.00 0.00 32.46 33.25 3kdy n ARG 532 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3kdy n GLU 533 N -1.20 0.04 0.00 -0.14 -0.58 -0.80 -2.95 120.64 115.01 3kdy n GLU 533 Ca 0.00 0.41 0.00 0.00 -0.42 0.00 0.00 57.16 57.15 3kdy n GLU 533 Cb 0.00 -1.93 0.00 0.00 -0.57 0.00 0.00 31.44 28.94 3kdy n GLU 533 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3kdy n THR 534 N -1.63 0.00 -0.60 2.62 -1.04 -0.27 -4.98 114.28 108.39 3kdy n THR 534 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3kdy n THR 534 Cb 0.31 -0.51 0.00 0.00 -1.82 0.00 0.00 70.33 68.32 3kdy n THR 534 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 3kdy n ASP 535 N -2.05 0.00 -4.69 8.00 5.75 -0.67 -4.99 116.55 117.90 3kdy n ASP 535 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.36 3kdy n ASP 535 Cb 0.38 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.44 3kdy n ASP 535 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3kdy s ILE 536 N -3.27 3.49 -1.07 2.12 1.01 -1.23 -4.94 121.20 117.31 3kdy s ILE 536 Ca 0.00 0.88 -0.12 0.00 0.00 0.00 0.00 60.65 61.42 3kdy s ILE 536 Cb 0.00 -3.57 0.24 0.00 0.01 0.00 0.00 42.46 39.14 3kdy s ILE 536 CO 0.00 -0.01 1.11 -1.10 0.00 0.00 0.00 174.94 174.95 3kdy s GLN 537 N 2.55 4.03 0.34 2.79 1.11 -1.26 -4.08 119.66 125.15 3kdy s GLN 537 Ca 0.67 -2.86 -0.28 0.00 0.01 0.00 0.00 55.36 52.90 3kdy s GLN 537 Cb -0.34 -4.66 -0.10 0.00 -1.01 0.00 0.00 33.01 26.90 3kdy s GLN 537 CO 0.28 -1.39 1.28 -0.51 0.01 0.00 0.00 175.29 174.97 3kdy s LEU 538 N -0.18 4.39 0.00 2.90 1.43 -1.26 -5.07 118.68 120.90 3kdy s LEU 538 Ca 0.31 2.64 0.27 0.00 -1.03 0.00 0.00 54.13 56.31 3kdy s LEU 538 Cb -0.08 -3.70 1.60 0.00 0.03 0.00 0.00 46.19 44.03 3kdy s LEU 538 CO -0.07 -0.56 1.95 0.54 0.23 0.00 0.00 176.35 178.44