#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ith s ILE 2 N 0.00 5.17 0.37 0.52 1.01 -1.26 -4.73 121.20 122.27 3ith s ILE 2 Ca 0.00 0.79 -0.28 0.00 0.00 0.00 0.00 60.65 61.16 3ith s ILE 2 Cb 0.00 -3.77 -0.11 0.00 0.01 0.00 0.00 42.46 38.59 3ith s ILE 2 CO 0.00 0.23 1.50 -0.24 0.00 0.00 0.00 174.94 176.43 3ith n SER 3 N 4.52 3.79 0.06 3.58 2.88 -1.26 -4.82 113.62 122.37 3ith n SER 3 Ca -0.07 1.22 0.08 0.00 -1.33 0.00 0.00 58.87 58.76 3ith n SER 3 Cb 0.51 -1.62 0.35 0.00 -0.75 0.00 0.00 64.21 62.71 3ith n SER 3 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3ith n PRO 4 N 0.67 0.08 -0.96 -1.46 -0.02 -1.26 -4.43 135.00 127.62 3ith n PRO 4 Ca 0.02 0.40 -0.34 0.00 -2.02 0.00 0.00 63.50 61.56 3ith n PRO 4 Cb 0.39 -1.68 0.10 0.00 -0.02 0.00 0.00 33.50 32.28 3ith n PRO 4 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 3ith n ILE 5 N -1.84 0.56 -2.86 4.25 0.13 -1.26 -4.90 119.36 113.45 3ith n ILE 5 Ca 0.02 -0.28 -0.41 0.00 -1.10 0.00 0.00 62.75 60.98 3ith n ILE 5 Cb 0.14 -0.61 -0.04 0.00 -0.84 0.00 0.00 39.64 38.29 3ith n ILE 5 CO 0.00 0.00 0.00 -1.61 2.80 0.00 0.00 176.55 177.74 3ith s GLU 6 N -3.24 4.36 0.18 9.51 2.02 -1.26 -4.80 118.70 125.47 3ith s GLU 6 Ca 0.58 1.10 -0.32 0.00 0.02 0.00 0.00 54.97 56.36 3ith s GLU 6 Cb -0.25 -3.54 -0.11 0.00 0.10 0.00 0.00 34.13 30.32 3ith s GLU 6 CO 0.66 -0.26 1.69 0.95 0.02 0.00 0.00 175.26 178.32 3ith s THR 7 N 1.87 2.30 0.10 3.63 -4.23 -1.26 -4.96 115.64 113.09 3ith s THR 7 Ca 0.41 0.16 -0.31 0.00 -1.18 0.00 0.00 61.69 60.77 3ith s THR 7 Cb -0.17 -3.10 -0.09 0.00 1.34 0.00 0.00 72.50 70.47 3ith s THR 7 CO 0.15 0.01 1.68 -0.69 -0.54 0.00 0.00 174.62 175.23 3ith s VAL 8 N 1.44 2.82 0.04 2.29 1.01 -1.26 -4.89 120.40 121.85 3ith s VAL 8 Ca 0.74 0.37 -0.30 0.00 0.00 0.00 0.00 61.98 62.79 3ith s VAL 8 Cb -0.47 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 3ith s VAL 8 CO 0.32 0.01 1.17 -2.16 0.00 0.00 0.00 175.10 174.44 3ith s PRO 9 N 2.34 4.44 0.09 2.72 0.04 -1.26 -4.13 135.00 139.24 3ith s PRO 9 Ca 0.75 1.71 0.10 0.00 0.04 0.00 0.00 61.00 63.60 3ith s PRO 9 Cb -0.42 -3.39 -0.04 0.00 0.04 0.00 0.00 34.50 30.69 3ith s PRO 9 CO 0.33 -0.26 -0.25 0.08 0.04 0.00 0.00 177.00 176.94 3ith s VAL 10 N 1.22 2.34 0.11 -0.36 1.01 -1.26 -5.09 120.40 118.37 3ith s VAL 10 Ca 0.58 -1.55 0.04 0.00 0.00 0.00 0.00 61.98 61.05 3ith s VAL 10 Cb -0.28 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3ith s VAL 10 CO 0.28 0.21 -0.10 -0.54 0.00 0.00 0.00 175.10 174.95 3ith s LYS 11 N -1.72 0.90 0.33 2.72 1.02 -1.26 -4.78 119.74 116.95 3ith s LYS 11 Ca 0.14 -1.24 -0.13 0.00 0.02 0.00 0.00 55.97 54.75 3ith s LYS 11 Cb -0.10 -0.54 -0.08 0.00 -0.52 0.00 0.00 37.83 36.59 3ith s LYS 11 CO 0.05 0.07 0.71 -0.51 -0.92 0.00 0.00 175.35 174.75 3ith s LEU 12 N -2.67 4.02 0.98 3.17 1.43 -1.26 -0.36 118.68 123.99 3ith s LEU 12 Ca 0.09 1.17 -0.15 0.00 -1.03 0.00 0.00 54.13 54.21 3ith s LEU 12 Cb -0.01 -3.99 -0.06 0.00 0.03 0.00 0.00 46.19 42.17 3ith s LEU 12 CO -0.00 -0.23 -0.23 0.29 0.23 0.00 0.00 176.35 176.40 3ith n LYS 13 N -0.58 -0.18 -2.30 1.70 5.02 -0.60 -4.61 118.16 116.61 3ith n LYS 13 Ca 0.03 -0.03 -0.39 0.00 -2.02 0.00 0.00 58.31 55.89 3ith n LYS 13 Cb 0.53 -1.42 -0.02 0.00 -0.02 0.00 0.00 35.03 34.09 3ith n LYS 13 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3ith s PRO 14 N -2.81 4.21 -1.47 1.97 0.04 -1.26 -2.98 135.00 132.69 3ith s PRO 14 Ca 0.48 1.89 -0.04 0.00 0.04 0.00 0.00 61.00 63.38 3ith s PRO 14 Cb -0.18 -2.83 0.02 0.00 0.04 0.00 0.00 34.50 31.54 3ith s PRO 14 CO 0.75 -0.20 0.35 0.41 0.04 0.00 0.00 177.00 178.34 3ith n GLY 15 N 0.75 -0.51 3.81 0.56 0.00 -1.26 -4.97 105.19 103.57 3ith n GLY 15 Ca 0.03 0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 3ith n GLY 15 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ith s MET 16 N -5.50 2.21 0.11 1.61 -1.94 -1.16 -5.16 119.30 109.46 3ith s MET 16 Ca 0.20 -2.20 -0.14 0.00 -1.71 0.00 0.00 55.69 51.84 3ith s MET 16 Cb -0.10 -1.79 0.03 0.00 2.01 0.00 0.00 34.83 34.98 3ith s MET 16 CO 0.25 -0.43 0.34 0.34 -0.01 0.00 0.00 175.02 175.51 3ith s ASP 17 N -4.03 -0.14 0.87 3.03 2.15 -1.26 -4.94 116.67 112.35 3ith s ASP 17 Ca 0.20 -0.37 -0.10 0.00 0.43 0.00 0.00 52.55 52.71 3ith s ASP 17 Cb 0.01 0.43 0.12 0.00 -0.30 0.00 0.00 42.92 43.17 3ith s ASP 17 CO 0.12 -0.79 1.12 -0.83 -0.17 0.00 0.00 175.17 174.61 3ith s GLY 18 N -2.72 1.68 0.52 2.66 0.00 -1.26 -4.96 107.32 103.24 3ith s GLY 18 Ca 0.02 0.43 -0.21 0.00 0.00 0.00 0.00 44.72 44.96 3ith s GLY 18 CO -0.11 0.83 1.21 2.56 0.00 0.00 0.00 173.10 177.60 3ith s PRO 19 N -4.75 3.39 -0.42 2.90 0.04 -1.26 -4.99 135.00 129.91 3ith s PRO 19 Ca 0.65 1.87 0.10 0.00 0.04 0.00 0.00 61.00 63.65 3ith s PRO 19 Cb -0.21 -2.21 0.31 0.00 0.04 0.00 0.00 34.50 32.44 3ith s PRO 19 CO 0.57 -0.88 0.69 1.63 0.04 0.00 0.00 177.00 179.05 3ith n LYS 20 N -0.97 1.22 -2.92 4.56 5.02 -1.25 -2.56 118.16 121.26 3ith n LYS 20 Ca 0.10 -3.57 -0.26 0.00 -2.02 0.00 0.00 58.31 52.56 3ith n LYS 20 Cb 0.48 -1.64 -0.01 0.00 -0.02 0.00 0.00 35.03 33.84 3ith n LYS 20 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3ith s VAL 21 N -2.24 4.97 0.22 -0.18 1.01 -0.41 -4.94 120.40 118.84 3ith s VAL 21 Ca 0.39 -0.01 0.11 0.00 0.00 0.00 0.00 61.98 62.48 3ith s VAL 21 Cb 0.27 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 3ith s VAL 21 CO -0.09 -0.72 -0.22 -0.54 0.00 0.00 0.00 175.10 173.53 3ith s LYS 22 N -4.51 1.56 0.14 2.72 3.01 -1.26 -4.48 119.74 116.91 3ith s LYS 22 Ca 0.45 -1.61 0.10 0.00 -1.01 0.00 0.00 55.97 53.90 3ith s LYS 22 Cb -0.10 -1.78 -0.04 0.00 -1.01 0.00 0.00 37.83 34.90 3ith s LYS 22 CO 0.41 0.36 -0.24 -1.14 0.51 0.00 0.00 175.35 175.25 3ith s GLN 23 N -3.00 1.53 -0.38 1.68 0.74 -1.26 -4.86 119.66 114.11 3ith s GLN 23 Ca 0.24 -1.33 -0.08 0.00 0.05 0.00 0.00 55.36 54.24 3ith s GLN 23 Cb -0.07 -1.95 0.06 0.00 1.10 0.00 0.00 33.01 32.15 3ith s GLN 23 CO 0.11 0.45 0.19 1.67 -0.55 0.00 0.00 175.29 177.16 3ith s TRP 24 N -1.18 3.32 -0.89 1.67 -2.14 -1.26 -5.03 118.94 113.43 3ith s TRP 24 Ca 0.16 -1.53 -0.26 0.00 2.66 0.00 0.00 56.10 57.13 3ith s TRP 24 Cb -0.10 -2.66 -0.17 0.00 -3.10 0.00 0.00 33.47 27.44 3ith s TRP 24 CO 0.08 -0.80 2.31 -1.25 -2.66 0.00 0.00 176.95 174.63 3ith s PRO 25 N 1.40 1.46 -0.12 3.25 0.04 -1.26 -4.91 135.00 134.85 3ith s PRO 25 Ca 0.01 0.18 -0.06 0.00 0.04 0.00 0.00 61.00 61.17 3ith s PRO 25 Cb -0.21 -4.85 -0.04 0.00 0.04 0.00 0.00 34.50 29.44 3ith s PRO 25 CO 0.02 -4.81 0.09 -1.17 0.04 0.00 0.00 177.00 171.17 3ith s LEU 26 N 15.54 4.08 -0.00 -3.56 0.20 -1.26 -4.83 118.68 128.85 3ith s LEU 26 Ca 0.89 0.31 -0.00 0.00 0.69 0.00 0.00 54.13 56.02 3ith s LEU 26 Cb -0.10 -1.99 0.00 0.00 -0.43 0.00 0.00 46.19 43.67 3ith s LEU 26 CO 0.11 0.36 0.00 1.07 -0.29 0.00 0.00 176.35 177.60 3ith n THR 27 N 2.32 -1.78 0.10 3.68 5.66 -1.26 -4.70 114.28 118.30 3ith n THR 27 Ca -0.19 0.33 0.07 0.00 -3.05 0.00 0.00 64.05 61.20 3ith n THR 27 Cb 0.54 -2.86 0.36 0.00 -1.55 0.00 0.00 70.33 66.81 3ith n THR 27 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3ith n GLU 28 N 1.80 0.08 0.21 1.09 -0.58 -1.26 -0.99 120.64 120.99 3ith n GLU 28 Ca -0.00 0.58 0.10 0.00 -0.42 0.00 0.00 57.16 57.42 3ith n GLU 28 Cb 0.29 -1.80 0.30 0.00 -0.57 0.00 0.00 31.44 29.66 3ith n GLU 28 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 3ith h GLU 29 N 0.00 0.00 0.00 3.49 4.81 -2.02 -3.03 114.58 117.83 3ith h GLU 29 Ca 0.00 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.02 3ith h GLU 29 Cb 0.04 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 3ith h GLU 29 CO 0.00 0.18 -1.05 0.87 -0.73 0.00 0.00 179.01 178.28 3ith h LYS 30 N 0.00 0.00 0.00 1.92 1.79 -1.34 -3.25 116.57 115.69 3ith h LYS 30 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3ith h LYS 30 Cb 0.94 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.59 3ith h LYS 30 CO 0.02 0.93 0.00 -0.89 -1.08 0.00 0.00 179.45 178.43 3ith n ILE 31 N -3.31 0.00 -0.75 1.86 2.08 -1.15 0.18 119.36 118.28 3ith n ILE 31 Ca -0.02 0.00 0.07 0.00 0.56 0.00 0.00 62.75 63.37 3ith n ILE 31 Cb 0.94 -0.20 0.11 0.00 -0.75 0.00 0.00 39.64 39.74 3ith n ILE 31 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 3ith n LYS 32 N 0.08 1.94 0.00 0.38 4.76 -1.23 -4.43 118.16 119.66 3ith n LYS 32 Ca 0.00 -2.29 0.00 0.00 -2.87 0.00 0.00 58.31 53.15 3ith n LYS 32 Cb 0.00 -1.39 0.00 0.00 -1.84 0.00 0.00 35.03 31.80 3ith n LYS 32 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ith n ALA 33 N -1.04 1.86 -2.69 7.82 0.00 0.48 -4.48 120.51 122.46 3ith n ALA 33 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.15 3ith n ALA 33 Cb 0.55 0.27 -0.04 0.00 0.00 0.00 0.00 19.45 20.23 3ith n ALA 33 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ith s LEU 34 N -3.79 4.23 0.00 0.00 1.43 -0.75 -0.59 118.68 119.20 3ith s LEU 34 Ca 0.00 1.20 0.00 0.00 -1.03 0.00 0.00 54.13 54.30 3ith s LEU 34 Cb 0.00 -3.20 0.00 0.00 0.03 0.00 0.00 46.19 43.02 3ith s LEU 34 CO 0.00 -0.30 0.00 0.52 0.23 0.00 0.00 176.35 176.80 3ith n VAL 35 N 4.40 0.00 0.12 -1.59 0.31 -1.26 -4.39 118.33 115.91 3ith n VAL 35 Ca 0.03 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.45 3ith n VAL 35 Cb 0.50 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.45 3ith n VAL 35 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3ith h GLU 36 N 0.00 0.00 0.03 5.55 4.81 -1.78 -3.19 114.58 119.99 3ith h GLU 36 Ca 0.00 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.86 3ith h GLU 36 Cb 0.00 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 3ith h GLU 36 CO 0.00 0.06 -2.16 -0.89 -0.73 0.00 0.00 179.01 175.29 3ith n ILE 37 N -2.80 1.58 -0.12 2.32 5.41 0.24 -4.06 119.36 121.93 3ith n ILE 37 Ca -0.01 -0.45 -0.05 0.00 1.00 0.00 0.00 62.75 63.24 3ith n ILE 37 Cb 0.59 -1.72 0.03 0.00 -0.71 0.00 0.00 39.64 37.83 3ith n ILE 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3ith h THR 39 N 0.23 0.89 -0.23 0.00 1.35 -1.78 1.09 112.91 114.46 3ith h THR 39 Ca 0.19 -0.17 -0.04 0.00 -0.55 0.00 0.00 66.41 65.84 3ith h THR 39 Cb 0.22 0.36 -0.01 0.00 -1.73 0.00 0.00 68.15 66.99 3ith h THR 39 CO -0.24 0.09 -0.05 -0.08 -0.25 0.00 0.00 175.52 174.99 3ith h GLU 40 N 0.48 0.35 -0.14 4.72 4.57 -1.56 0.35 114.58 123.35 3ith h GLU 40 Ca 0.26 -0.07 -0.11 0.00 -1.18 0.00 0.00 59.36 58.26 3ith h GLU 40 Cb 0.23 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 3ith h GLU 40 CO -0.22 0.41 -0.35 0.52 -1.18 0.00 0.00 179.01 178.20 3ith h MET 41 N 0.33 0.48 -0.50 1.92 2.86 0.13 -2.62 114.93 117.55 3ith h MET 41 Ca 0.07 -0.34 0.06 0.00 -2.06 0.00 0.00 59.70 57.44 3ith h MET 41 Cb 0.30 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 3ith h MET 41 CO 0.01 0.95 0.33 1.49 1.06 0.00 0.00 176.91 180.76 3ith h GLU 42 N 0.10 0.41 -0.59 1.72 4.81 0.19 -0.07 114.58 121.15 3ith h GLU 42 Ca -0.00 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 3ith h GLU 42 Cb 0.96 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.22 3ith h GLU 42 CO 0.08 0.27 0.24 -0.22 -0.73 0.00 0.00 179.01 178.65 3ith h LYS 43 N 0.42 0.88 0.00 1.92 3.64 -0.22 -2.92 116.57 120.29 3ith h LYS 43 Ca 0.22 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3ith h LYS 43 Cb 0.32 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3ith h LYS 43 CO -0.06 0.74 -0.07 0.93 -2.27 0.00 0.00 179.45 178.73 3ith h GLU 44 N 0.82 0.00 0.00 1.90 4.39 -0.90 -3.47 114.58 117.31 3ith h GLU 44 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 3ith h GLU 44 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 3ith h GLU 44 CO -0.02 0.07 0.00 0.41 -1.16 0.00 0.00 179.01 178.31 3ith n GLY 45 N 1.03 1.09 0.18 -3.84 0.00 -0.14 -4.75 105.19 98.76 3ith n GLY 45 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.10 3ith n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ith h LYS 46 N 3.07 0.00 -4.50 1.61 1.79 -1.62 -3.43 116.57 113.49 3ith h LYS 46 Ca 0.00 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.20 3ith h LYS 46 Cb 0.00 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 30.52 3ith h LYS 46 CO 0.00 0.40 -0.50 0.96 -1.08 0.00 0.00 179.45 179.23 3ith s ILE 47 N -3.81 0.00 -0.13 1.86 -4.36 -1.25 -0.51 121.20 112.98 3ith s ILE 47 Ca -0.01 -1.90 -0.08 0.00 -0.26 0.00 0.00 60.65 58.40 3ith s ILE 47 Cb 0.12 -2.48 0.05 0.00 1.25 0.00 0.00 42.46 41.41 3ith s ILE 47 CO 0.70 0.00 0.33 -0.44 0.24 0.00 0.00 174.94 175.77 3ith s SER 48 N -3.19 -0.38 0.48 4.36 0.01 -0.84 -4.49 113.70 109.65 3ith s SER 48 Ca 0.37 0.70 -0.24 0.00 1.31 0.00 0.00 55.95 58.09 3ith s SER 48 Cb 0.04 0.60 -0.07 0.00 0.21 0.00 0.00 66.02 66.80 3ith s SER 48 CO 0.16 -0.17 1.38 -0.75 0.41 0.00 0.00 173.24 174.27 3ith s LYS 49 N 1.17 3.53 0.08 12.44 2.36 -1.26 -2.29 119.74 135.77 3ith s LYS 49 Ca -0.08 2.30 0.04 0.00 -2.55 0.00 0.00 55.97 55.68 3ith s LYS 49 Cb -0.08 -2.52 -0.03 0.00 -1.05 0.00 0.00 37.83 34.15 3ith s LYS 49 CO -0.09 -0.90 -0.12 0.96 1.55 0.00 0.00 175.35 176.75 3ith s ILE 50 N -1.26 0.97 0.08 5.43 -4.36 0.11 -4.91 121.20 117.26 3ith s ILE 50 Ca 0.64 -1.43 -0.31 0.00 -0.26 0.00 0.00 60.65 59.29 3ith s ILE 50 Cb -0.41 -1.14 -0.09 0.00 1.25 0.00 0.00 42.46 42.06 3ith s ILE 50 CO 0.52 -0.40 1.77 -0.83 0.24 0.00 0.00 174.94 176.24 3ith s GLY 51 N -2.05 1.45 0.39 6.27 0.00 -1.26 -4.66 107.32 107.45 3ith s GLY 51 Ca 0.00 1.31 0.35 0.00 0.00 0.00 0.00 44.72 46.38 3ith s GLY 51 CO 0.01 3.09 1.11 -1.05 0.00 0.00 0.00 173.10 176.26 3ith n PRO 52 N 6.01 -0.00 -0.63 2.90 -0.02 -1.26 -3.24 135.00 138.77 3ith n PRO 52 Ca 0.17 0.78 -0.12 0.00 -2.02 0.00 0.00 63.50 62.31 3ith n PRO 52 Cb 0.40 -1.77 0.06 0.00 -0.02 0.00 0.00 33.50 32.16 3ith n PRO 52 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3ith n GLU 53 N -3.42 1.58 -3.30 -0.52 1.02 -1.26 -4.72 120.64 110.03 3ith n GLU 53 Ca 0.31 -1.28 -0.46 0.00 -0.02 0.00 0.00 57.16 55.71 3ith n GLU 53 Cb 1.41 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 31.31 3ith n GLU 53 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3ith s ASN 54 N 0.19 6.83 0.00 1.62 3.84 -1.20 -4.97 114.94 121.24 3ith s ASN 54 Ca 0.25 -2.75 0.00 0.00 0.21 0.00 0.00 52.86 50.56 3ith s ASN 54 Cb 0.20 -2.23 0.00 0.00 -0.55 0.00 0.00 41.25 38.68 3ith s ASN 54 CO 0.03 -0.58 0.00 -2.65 -2.79 0.00 0.00 177.10 171.11 3ith n PRO 55 N 4.04 0.00 -4.40 0.43 -0.02 -1.26 -4.74 135.00 129.05 3ith n PRO 55 Ca 0.16 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.44 3ith n PRO 55 Cb 0.46 -0.87 -0.10 0.00 -0.02 0.00 0.00 33.50 32.97 3ith n PRO 55 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3ith s TYR 56 N -0.82 1.81 0.00 6.00 2.02 -1.26 -4.82 117.35 120.29 3ith s TYR 56 Ca 0.00 -0.91 0.00 0.00 -0.37 0.00 0.00 57.07 55.79 3ith s TYR 56 Cb 0.00 -1.11 0.00 0.00 -0.40 0.00 0.00 41.96 40.45 3ith s TYR 56 CO 0.00 0.02 0.00 -1.71 -1.57 0.00 0.00 175.55 172.29 3ith n ASN 57 N -0.57 0.00 -4.19 2.29 2.85 -1.06 -4.75 115.26 109.83 3ith n ASN 57 Ca -0.04 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.30 3ith n ASN 57 Cb 0.65 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.57 3ith n ASN 57 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 3ith s THR 58 N -2.00 0.12 0.73 -0.44 -4.23 -0.83 -1.28 115.64 107.70 3ith s THR 58 Ca 0.00 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.37 3ith s THR 58 Cb 0.00 -2.53 0.04 0.00 1.34 0.00 0.00 72.50 71.35 3ith s THR 58 CO 0.00 0.00 1.15 -2.84 -0.54 0.00 0.00 174.62 172.39 3ith s PRO 59 N -4.11 2.25 -0.05 3.99 0.02 -1.26 -4.45 135.00 131.39 3ith s PRO 59 Ca 0.39 1.54 -0.02 0.00 0.02 0.00 0.00 61.00 62.92 3ith s PRO 59 Cb 0.07 -1.87 0.03 0.00 0.02 0.00 0.00 34.50 32.76 3ith s PRO 59 CO 0.13 -1.71 0.12 0.08 -0.33 0.00 0.00 177.00 175.29 3ith s VAL 60 N -2.29 -0.05 0.19 3.83 1.01 -1.26 -3.04 120.40 118.79 3ith s VAL 60 Ca 0.69 0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.87 3ith s VAL 60 Cb -0.24 -0.20 -0.05 0.00 0.00 0.00 0.00 36.38 35.89 3ith s VAL 60 CO 0.47 0.07 -0.00 -0.36 0.00 0.00 0.00 175.10 175.27 3ith s PHE 61 N 1.05 1.34 -0.08 5.22 0.08 -1.00 -5.01 117.98 119.58 3ith s PHE 61 Ca -0.08 -0.98 0.01 0.00 0.12 0.00 0.00 56.93 56.00 3ith s PHE 61 Cb -0.11 -0.76 0.02 0.00 -0.57 0.00 0.00 43.02 41.60 3ith s PHE 61 CO -0.05 -0.14 -0.09 0.00 -0.10 0.00 0.00 175.22 174.84 3ith s ALA 62 N -3.56 1.23 0.00 5.36 0.00 -1.26 -1.21 121.76 122.32 3ith s ALA 62 Ca 0.25 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.78 3ith s ALA 62 Cb 0.06 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.47 3ith s ALA 62 CO 0.06 -0.13 0.00 1.51 0.00 0.00 0.00 175.76 177.20 3ith n ILE 63 N 4.33 0.00 -1.79 0.00 3.06 -1.26 -5.00 119.36 118.70 3ith n ILE 63 Ca -0.18 0.12 -0.42 0.00 -2.50 0.00 0.00 62.75 59.76 3ith n ILE 63 Cb 0.51 -0.98 -0.03 0.00 0.54 0.00 0.00 39.64 39.68 3ith n ILE 63 CO 0.00 0.00 0.00 -0.75 -2.50 0.00 0.00 176.55 173.30 3ith s LYS 64 N -0.45 4.16 1.01 9.51 2.47 -1.26 -4.99 119.74 130.18 3ith s LYS 64 Ca 0.00 2.47 -0.17 0.00 -1.56 0.00 0.00 55.97 56.72 3ith s LYS 64 Cb 0.00 -3.96 0.26 0.00 -1.46 0.00 0.00 37.83 32.67 3ith s LYS 64 CO 0.00 -0.88 0.61 1.63 0.16 0.00 0.00 175.35 176.86 3ith n LYS 65 N 6.92 -3.93 -2.83 4.03 5.02 -1.26 -3.94 118.16 122.18 3ith n LYS 65 Ca 0.18 -1.02 -0.43 0.00 -2.02 0.00 0.00 58.31 55.02 3ith n LYS 65 Cb 0.41 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 3ith n LYS 65 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3ith n LYS 66 N -4.60 3.83 -3.35 1.97 4.81 -1.26 -4.18 118.16 115.38 3ith n LYS 66 Ca 0.10 -4.06 -0.26 0.00 -0.87 0.00 0.00 58.31 53.22 3ith n LYS 66 Cb 0.41 -2.76 -0.08 0.00 0.02 0.00 0.00 35.03 32.63 3ith n LYS 66 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3ith n ASP 67 N 3.23 2.22 -0.97 3.14 9.92 -1.26 -4.82 116.55 128.00 3ith n ASP 67 Ca 0.32 -3.11 -0.11 0.00 -0.53 0.00 0.00 54.79 51.36 3ith n ASP 67 Cb 0.37 -0.66 -0.03 0.00 -0.64 0.00 0.00 41.12 40.16 3ith n ASP 67 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 3ith n SER 68 N 1.17 -4.08 -3.74 -2.24 2.88 -1.26 -5.01 113.62 101.34 3ith n SER 68 Ca 0.26 0.18 -0.12 0.00 -1.33 0.00 0.00 58.87 57.86 3ith n SER 68 Cb 0.46 -2.80 -0.11 0.00 -0.75 0.00 0.00 64.21 61.01 3ith n SER 68 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 3ith s THR 69 N -2.45 -0.01 -0.64 2.46 2.01 -1.26 -5.13 115.64 110.62 3ith s THR 69 Ca 0.00 0.04 -0.20 0.00 0.31 0.00 0.00 61.69 61.84 3ith s THR 69 Cb 0.00 -0.50 0.09 0.00 0.01 0.00 0.00 72.50 72.10 3ith s THR 69 CO 0.00 0.02 0.83 -0.75 -0.69 0.00 0.00 174.62 174.03 3ith s LYS 70 N 0.61 3.11 0.00 4.92 2.20 -1.26 -4.33 119.74 124.99 3ith s LYS 70 Ca -0.03 -1.16 0.00 0.00 -0.36 0.00 0.00 55.97 54.41 3ith s LYS 70 Cb -0.05 -4.29 0.00 0.00 -1.51 0.00 0.00 37.83 31.98 3ith s LYS 70 CO -0.04 -1.67 0.00 0.91 -0.36 0.00 0.00 175.35 174.20 3ith n TRP 71 N 6.87 0.00 -1.89 4.03 8.01 -1.25 -4.92 117.44 128.29 3ith n TRP 71 Ca -0.05 0.00 0.15 0.00 -1.31 0.00 0.00 57.50 56.28 3ith n TRP 71 Cb 0.44 0.00 -0.04 0.00 -2.01 0.00 0.00 31.31 29.70 3ith n TRP 71 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 3ith n ARG 72 N 0.00 -2.15 -4.26 -0.99 5.12 -1.26 -4.33 116.66 108.78 3ith n ARG 72 Ca 0.00 1.42 -0.14 0.00 -1.93 0.00 0.00 57.85 57.19 3ith n ARG 72 Cb 0.00 -2.63 -0.10 0.00 -1.16 0.00 0.00 32.46 28.57 3ith n ARG 72 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 3ith s LYS 73 N -1.73 1.30 -0.25 5.56 -2.85 -1.26 -4.21 119.74 116.30 3ith s LYS 73 Ca 0.00 -1.69 -0.01 0.00 -1.00 0.00 0.00 55.97 53.27 3ith s LYS 73 Cb 0.00 -0.05 0.07 0.00 -2.06 0.00 0.00 37.83 35.79 3ith s LYS 73 CO 0.00 -0.32 0.04 -0.51 0.10 0.00 0.00 175.35 174.66 3ith s LEU 74 N -3.24 1.92 0.18 2.77 1.02 -0.35 -4.96 118.68 116.02 3ith s LEU 74 Ca 0.37 -1.21 -0.29 0.00 0.02 0.00 0.00 54.13 53.02 3ith s LEU 74 Cb 0.07 -0.84 -0.08 0.00 0.02 0.00 0.00 46.19 45.37 3ith s LEU 74 CO 0.12 -0.33 0.90 -0.69 0.02 0.00 0.00 176.35 176.37 3ith s VAL 75 N 1.65 4.29 -0.44 -1.59 1.01 -1.26 -2.37 120.40 121.69 3ith s VAL 75 Ca 0.02 1.98 -0.09 0.00 0.00 0.00 0.00 61.98 63.89 3ith s VAL 75 Cb -0.18 -4.28 0.10 0.00 0.00 0.00 0.00 36.38 32.02 3ith s VAL 75 CO -0.14 0.45 0.29 -0.62 0.00 0.00 0.00 175.10 175.08 3ith s ASP 76 N -0.77 5.64 0.00 3.32 2.15 -1.17 -4.75 116.67 121.09 3ith s ASP 76 Ca 0.41 -1.69 0.22 0.00 0.43 0.00 0.00 52.55 51.93 3ith s ASP 76 Cb -0.24 -1.99 0.13 0.00 -0.30 0.00 0.00 42.92 40.52 3ith s ASP 76 CO 0.30 -0.60 1.17 0.49 -0.17 0.00 0.00 175.17 176.36 3ith n PHE 77 N 4.90 0.00 -0.00 -5.34 3.72 -1.26 -4.11 117.46 115.37 3ith n PHE 77 Ca -0.09 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.31 3ith n PHE 77 Cb 0.42 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.96 3ith n PHE 77 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 3ith n ARG 78 N 0.90 -0.00 0.32 -1.08 0.63 -1.26 0.94 116.66 117.12 3ith n ARG 78 Ca 0.12 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.92 3ith n ARG 78 Cb 0.53 -0.01 -0.06 0.00 0.45 0.00 0.00 32.46 33.37 3ith n ARG 78 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 3ith h GLU 79 N 0.00 -0.81 -0.64 -0.14 4.22 -2.02 -3.15 114.58 112.04 3ith h GLU 79 Ca 0.00 0.06 0.13 0.00 0.08 0.00 0.00 59.36 59.63 3ith h GLU 79 Cb 0.00 0.18 -0.10 0.00 0.50 0.00 0.00 28.75 29.33 3ith h GLU 79 CO -0.00 -0.54 0.08 1.25 -2.18 0.00 0.00 179.01 177.62 3ith h LEU 80 N -0.84 -0.13 -0.77 1.64 5.85 0.27 -1.93 115.31 119.40 3ith h LEU 80 Ca -0.08 0.14 0.17 0.00 0.84 0.00 0.00 57.88 58.95 3ith h LEU 80 Cb 0.65 0.22 -0.11 0.00 0.37 0.00 0.00 40.66 41.79 3ith h LEU 80 CO 0.12 -0.06 0.23 0.78 -0.34 0.00 0.00 178.44 179.17 3ith h ASN 81 N 0.19 0.09 0.00 1.25 2.35 -0.57 -0.59 115.58 118.30 3ith h ASN 81 Ca 0.34 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 56.24 3ith h ASN 81 Cb 0.56 0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.10 3ith h ASN 81 CO -0.49 -0.02 0.07 0.29 -1.65 0.00 0.00 177.43 175.63 3ith n LYS 82 N -5.12 0.03 -0.01 0.81 5.02 -0.73 -2.50 118.16 115.67 3ith n LYS 82 Ca 0.16 0.49 0.01 0.00 -2.02 0.00 0.00 58.31 56.94 3ith n LYS 82 Cb 0.49 -1.69 0.01 0.00 -0.02 0.00 0.00 35.03 33.82 3ith n LYS 82 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3ith n ARG 83 N -1.65 0.90 -3.86 1.97 1.74 -0.23 -4.99 116.66 110.54 3ith n ARG 83 Ca -0.00 -1.02 -0.30 0.00 -0.77 0.00 0.00 57.85 55.76 3ith n ARG 83 Cb 0.08 -1.02 -0.04 0.00 -1.02 0.00 0.00 32.46 30.46 3ith n ARG 83 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3ith s THR 84 N -0.51 5.32 0.91 0.55 -4.23 -1.04 -1.55 115.64 115.09 3ith s THR 84 Ca 0.02 -0.37 -0.13 0.00 -1.18 0.00 0.00 61.69 60.04 3ith s THR 84 Cb 0.01 -3.66 0.05 0.00 1.34 0.00 0.00 72.50 70.24 3ith s THR 84 CO 0.02 0.06 0.61 0.00 -0.54 0.00 0.00 174.62 174.76 3ith n GLN 85 N 0.03 -0.21 -2.94 3.99 10.64 0.51 -4.51 117.38 124.89 3ith n GLN 85 Ca -0.05 -0.01 -0.36 0.00 -1.83 0.00 0.00 57.00 54.75 3ith n GLN 85 Cb 0.52 -1.99 -0.06 0.00 -0.86 0.00 0.00 30.24 27.84 3ith n GLN 85 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3ith s ASP 86 N -2.07 7.13 0.35 2.61 1.11 -1.26 -4.95 116.67 119.60 3ith s ASP 86 Ca 0.61 1.61 0.08 0.00 0.18 0.00 0.00 52.55 55.03 3ith s ASP 86 Cb -0.24 -2.50 -0.03 0.00 1.07 0.00 0.00 42.92 41.22 3ith s ASP 86 CO 0.63 -0.08 0.24 -0.36 1.18 0.00 0.00 175.17 176.78 3ith s PHE 87 N -1.69 2.78 -0.28 4.23 0.40 -1.26 -5.11 117.98 117.05 3ith s PHE 87 Ca 0.49 -0.38 -0.08 0.00 -0.60 0.00 0.00 56.93 56.37 3ith s PHE 87 Cb -0.16 -1.79 -0.01 0.00 0.51 0.00 0.00 43.02 41.57 3ith s PHE 87 CO 0.21 0.21 0.10 -0.46 0.70 0.00 0.00 175.22 175.98 3ith s TRP 88 N -2.40 3.13 -0.46 0.36 -0.11 -1.26 -5.04 118.94 113.17 3ith s TRP 88 Ca 0.41 -0.62 -0.28 0.00 1.22 0.00 0.00 56.10 56.83 3ith s TRP 88 Cb -0.03 -2.28 -0.01 0.00 -1.50 0.00 0.00 33.47 29.64 3ith s TRP 88 CO 0.25 -0.45 1.75 -1.21 -4.62 0.00 0.00 176.95 172.67 3ith s GLU 89 N 1.59 3.10 0.00 5.86 0.41 -1.26 -4.86 118.70 123.53 3ith s GLU 89 Ca 0.05 0.99 0.07 0.00 -0.41 0.00 0.00 54.97 55.67 3ith s GLU 89 Cb -0.16 -4.24 0.39 0.00 -1.78 0.00 0.00 34.13 28.34 3ith s GLU 89 CO 0.04 -2.15 1.09 1.33 -0.49 0.00 0.00 175.26 175.08 3ith n VAL 90 N 7.26 0.00 -4.42 2.63 0.24 -1.26 -4.78 118.33 118.00 3ith n VAL 90 Ca 0.20 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.25 3ith n VAL 90 Cb 0.49 -0.22 -0.10 0.00 -1.47 0.00 0.00 33.84 32.54 3ith n VAL 90 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3ith s GLN 91 N -2.00 1.73 0.03 7.34 1.11 -1.26 -5.05 119.66 121.56 3ith s GLN 91 Ca 0.10 -1.61 -0.18 0.00 0.01 0.00 0.00 55.36 53.69 3ith s GLN 91 Cb 0.05 -1.88 -0.24 0.00 -1.01 0.00 0.00 33.01 29.93 3ith s GLN 91 CO 0.08 0.37 1.12 -0.07 0.01 0.00 0.00 175.29 176.79 3ith h LEU 92 N 2.58 0.69 0.00 2.90 3.38 -2.03 -3.50 115.31 119.34 3ith h LEU 92 Ca -0.43 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 56.77 3ith h LEU 92 Cb 1.24 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3ith h LEU 92 CO 0.56 1.37 0.00 0.61 0.09 0.00 0.00 178.44 181.07 3ith n GLY 93 N 1.13 1.76 3.75 0.83 0.00 -1.26 -5.16 105.19 106.24 3ith n GLY 93 Ca -0.11 -0.81 -0.37 0.00 0.00 0.00 0.00 46.02 44.73 3ith n GLY 93 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3ith s ILE 94 N -2.62 5.24 0.57 -0.61 -1.16 -1.26 -5.04 121.20 116.32 3ith s ILE 94 Ca 0.00 0.68 -0.20 0.00 -0.51 0.00 0.00 60.65 60.62 3ith s ILE 94 Cb 0.00 -3.68 -0.05 0.00 0.61 0.00 0.00 42.46 39.34 3ith s ILE 94 CO 0.00 0.42 1.05 -2.65 -2.81 0.00 0.00 174.94 170.95 3ith n PRO 95 N 3.21 1.10 -4.75 3.50 -0.02 -1.26 -5.02 135.00 131.77 3ith n PRO 95 Ca -0.11 0.42 -0.33 0.00 -2.02 0.00 0.00 63.50 61.45 3ith n PRO 95 Cb 0.52 -2.23 -0.12 0.00 -0.02 0.00 0.00 33.50 31.64 3ith n PRO 95 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3ith s HIS 96 N -1.44 2.82 0.46 6.00 2.46 -1.26 -5.03 115.29 119.31 3ith s HIS 96 Ca 0.74 -0.07 0.13 0.00 0.47 0.00 0.00 55.06 56.33 3ith s HIS 96 Cb -0.43 -1.67 1.08 0.00 -0.13 0.00 0.00 32.58 31.42 3ith s HIS 96 CO 0.48 0.26 2.07 -1.35 -2.47 0.00 0.00 174.74 173.73 3ith h PRO 97 N 5.31 0.28 0.00 2.88 0.11 -1.96 0.10 132.00 138.72 3ith h PRO 97 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3ith h PRO 97 Cb 1.16 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3ith h PRO 97 CO 0.51 0.19 0.00 0.00 -0.21 0.00 0.00 178.00 178.49 3ith n ALA 98 N -2.52 2.12 0.03 -0.75 0.00 -1.26 -1.19 120.51 116.93 3ith n ALA 98 Ca 0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 53.44 53.34 3ith n ALA 98 Cb 0.18 -1.26 -0.09 0.00 0.00 0.00 0.00 19.45 18.28 3ith n ALA 98 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3ith h GLY 99 N 2.66 0.00 -3.48 0.00 0.00 -1.24 -3.31 103.07 97.70 3ith h GLY 99 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 3ith h GLY 99 CO 0.00 0.00 0.22 1.04 0.00 0.00 0.00 176.54 177.80 3ith n LEU 100 N -3.00 3.16 -4.83 3.11 4.77 -0.33 -4.73 117.00 115.15 3ith n LEU 100 Ca -0.10 1.00 -0.25 0.00 -0.03 0.00 0.00 56.01 56.62 3ith n LEU 100 Cb 0.91 -1.39 -0.05 0.00 -2.33 0.00 0.00 43.42 40.56 3ith n LEU 100 CO 0.44 -1.39 -0.18 -0.54 -1.33 0.00 0.00 177.39 174.38 3ith s LYS 101 N -2.23 3.02 0.21 3.23 1.02 -1.26 -1.89 119.74 121.83 3ith s LYS 101 Ca 0.66 -0.86 -0.31 0.00 0.02 0.00 0.00 55.97 55.48 3ith s LYS 101 Cb -0.51 -2.69 -0.10 0.00 -0.52 0.00 0.00 37.83 34.01 3ith s LYS 101 CO 0.55 0.47 1.48 0.21 -0.92 0.00 0.00 175.35 177.14 3ith s LYS 102 N -3.32 4.25 0.12 1.68 2.20 -1.26 -4.91 119.74 118.50 3ith s LYS 102 Ca 0.32 2.31 0.06 0.00 -0.36 0.00 0.00 55.97 58.30 3ith s LYS 102 Cb -0.10 -3.13 -0.04 0.00 -1.51 0.00 0.00 37.83 33.05 3ith s LYS 102 CO 0.25 -0.49 -0.13 0.15 -0.36 0.00 0.00 175.35 174.76 3ith s LYS 103 N 0.26 1.02 0.04 4.03 -0.14 -1.26 -5.05 119.74 118.63 3ith s LYS 103 Ca 0.64 -1.25 -0.25 0.00 -1.36 0.00 0.00 55.97 53.75 3ith s LYS 103 Cb -0.42 -0.86 -0.17 0.00 -1.68 0.00 0.00 37.83 34.69 3ith s LYS 103 CO 0.38 0.16 1.50 -0.22 -0.76 0.00 0.00 175.35 176.41 3ith h LYS 104 N 3.46 -0.05 -5.72 1.68 3.64 -1.77 -3.45 116.57 114.35 3ith h LYS 104 Ca -0.39 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.44 3ith h LYS 104 Cb 1.20 0.01 -0.29 0.00 -0.41 0.00 0.00 32.23 32.74 3ith h LYS 104 CO 0.52 0.19 -0.83 -1.12 -2.27 0.00 0.00 179.45 175.93 3ith s SER 105 N -5.37 2.11 -0.18 4.20 0.01 0.28 -5.02 113.70 109.73 3ith s SER 105 Ca -0.14 -0.35 -0.05 0.00 1.31 0.00 0.00 55.95 56.71 3ith s SER 105 Cb 0.04 -0.22 0.09 0.00 0.21 0.00 0.00 66.02 66.13 3ith s SER 105 CO 0.66 0.20 0.34 -0.69 0.41 0.00 0.00 173.24 174.16 3ith s VAL 106 N -0.48 -0.53 0.12 3.43 1.01 -1.26 -0.47 120.40 122.21 3ith s VAL 106 Ca 0.07 0.16 0.09 0.00 0.00 0.00 0.00 61.98 62.29 3ith s VAL 106 Cb -0.07 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 3ith s VAL 106 CO -0.00 0.04 -0.19 -0.89 0.00 0.00 0.00 175.10 174.06 3ith s THR 107 N 2.51 2.77 -0.29 3.92 2.01 0.14 -4.98 115.64 121.71 3ith s THR 107 Ca 0.02 -1.53 0.02 0.00 0.31 0.00 0.00 61.69 60.52 3ith s THR 107 Cb -0.13 -2.26 0.07 0.00 0.01 0.00 0.00 72.50 70.19 3ith s THR 107 CO -0.12 0.11 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.19 3ith s VAL 108 N -1.13 2.41 0.81 3.82 1.01 -1.26 0.04 120.40 126.10 3ith s VAL 108 Ca 0.17 -1.77 -0.11 0.00 0.00 0.00 0.00 61.98 60.27 3ith s VAL 108 Cb -0.10 -2.51 0.08 0.00 0.00 0.00 0.00 36.38 33.85 3ith s VAL 108 CO 0.09 -0.21 1.09 -0.76 0.00 0.00 0.00 175.10 175.32 3ith s LEU 109 N 1.09 2.62 0.09 3.92 1.43 -1.17 -4.89 118.68 121.76 3ith s LEU 109 Ca -0.03 1.47 0.09 0.00 -1.03 0.00 0.00 54.13 54.63 3ith s LEU 109 Cb -0.20 -4.07 -0.04 0.00 0.03 0.00 0.00 46.19 41.92 3ith s LEU 109 CO -0.05 -2.12 -0.22 -0.62 0.23 0.00 0.00 176.35 173.57 3ith s ASP 110 N -3.67 3.55 -0.60 2.29 2.15 -1.26 -2.70 116.67 116.42 3ith s ASP 110 Ca 0.61 -0.59 0.01 0.00 0.43 0.00 0.00 52.55 53.00 3ith s ASP 110 Cb -0.16 -0.41 0.15 0.00 -0.30 0.00 0.00 42.92 42.20 3ith s ASP 110 CO 0.55 0.21 0.38 -0.69 -0.17 0.00 0.00 175.17 175.46 3ith s VAL 111 N -1.00 3.22 0.19 1.11 1.01 -0.64 -4.48 120.40 119.82 3ith s VAL 111 Ca 0.15 -3.23 0.00 0.00 0.00 0.00 0.00 61.98 58.89 3ith s VAL 111 Cb -0.10 -3.14 -0.09 0.00 0.00 0.00 0.00 36.38 33.04 3ith s VAL 111 CO 0.06 -0.86 1.46 1.23 0.00 0.00 0.00 175.10 176.99 3ith h GLY 112 N 6.66 0.38 -4.00 4.51 0.00 -1.89 -2.98 103.07 105.76 3ith h GLY 112 Ca -0.03 -0.54 -0.03 0.00 0.00 0.00 0.00 47.33 46.73 3ith h GLY 112 CO 0.71 0.48 0.05 1.22 0.00 0.00 0.00 176.54 179.00 3ith n ASP 113 N -3.83 2.21 0.00 0.19 8.00 -1.26 -4.77 116.55 117.09 3ith n ASP 113 Ca -0.04 -1.72 0.00 0.00 0.71 0.00 0.00 54.79 53.74 3ith n ASP 113 Cb 0.69 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 3ith n ASP 113 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ith n ALA 114 N 2.20 0.00 1.12 2.24 0.00 -1.13 -3.63 120.51 121.32 3ith n ALA 114 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.63 3ith n ALA 114 Cb 0.28 0.00 0.18 0.00 0.00 0.00 0.00 19.45 19.91 3ith n ALA 114 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3ith n TYR 115 N 0.00 0.00 -0.64 0.00 4.01 -1.26 -4.14 117.16 115.13 3ith n TYR 115 Ca 0.00 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.56 3ith n TYR 115 Cb 0.00 -0.03 0.11 0.00 -0.31 0.00 0.00 39.34 39.11 3ith n TYR 115 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3ith n PHE 116 N 0.03 2.16 -3.29 -0.72 3.72 -1.26 -3.24 117.46 114.85 3ith n PHE 116 Ca 0.12 -1.62 0.00 0.00 -0.05 0.00 0.00 57.45 55.90 3ith n PHE 116 Cb 0.44 -0.81 0.00 0.00 -0.94 0.00 0.00 39.48 38.17 3ith n PHE 116 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3ith n SER 117 N -0.56 0.68 -2.25 4.37 7.64 -1.24 -4.85 113.62 117.41 3ith n SER 117 Ca 0.42 -0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.01 3ith n SER 117 Cb 1.19 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.39 3ith n SER 117 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3ith n VAL 118 N 0.00-11.95 -1.83 0.44 0.31 -1.26 -3.98 118.33 100.06 3ith n VAL 118 Ca 0.00 2.88 -0.33 0.00 -0.01 0.00 0.00 64.34 66.89 3ith n VAL 118 Cb 0.00 -5.39 0.04 0.00 -0.91 0.00 0.00 33.84 27.57 3ith n VAL 118 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3ith s PRO 119 N -0.51 2.98 -0.13 5.55 0.04 -1.26 -3.07 135.00 138.59 3ith s PRO 119 Ca 0.00 1.28 -0.11 0.00 0.04 0.00 0.00 61.00 62.21 3ith s PRO 119 Cb 0.00 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.51 3ith s PRO 119 CO 0.00 -1.09 0.24 -1.17 0.04 0.00 0.00 177.00 175.01 3ith s LEU 120 N -4.82 4.31 -0.49 -3.56 2.96 0.21 -4.73 118.68 112.55 3ith s LEU 120 Ca 0.65 0.51 -0.44 0.00 -0.22 0.00 0.00 54.13 54.62 3ith s LEU 120 Cb -0.18 -2.27 -0.19 0.00 0.50 0.00 0.00 46.19 44.05 3ith s LEU 120 CO 0.41 0.23 1.94 -0.67 -1.32 0.00 0.00 176.35 176.95 3ith n ASP 121 N 2.87 0.89 -0.35 3.68 2.03 -1.26 -4.80 116.55 119.62 3ith n ASP 121 Ca -0.15 0.84 -0.02 0.00 0.52 0.00 0.00 54.79 55.97 3ith n ASP 121 Cb 0.53 -0.88 0.02 0.00 -0.72 0.00 0.00 41.12 40.06 3ith n ASP 121 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 3ith n GLU 122 N 6.30 -0.24 0.19 -0.67 4.07 -1.26 -0.91 120.64 128.11 3ith n GLU 122 Ca 0.47 1.36 0.18 0.00 -0.06 0.00 0.00 57.16 59.11 3ith n GLU 122 Cb -0.05 -2.02 0.80 0.00 -0.06 0.00 0.00 31.44 30.12 3ith n GLU 122 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 3ith h ASP 123 N 0.00 0.00 -0.00 4.31 3.32 -1.96 -2.67 116.42 119.43 3ith h ASP 123 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 3ith h ASP 123 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 3ith h ASP 123 CO -0.87 0.00 -0.75 0.33 -1.72 0.00 0.00 179.24 176.22 3ith n PHE 124 N -3.55 0.00 -0.08 4.55 7.35 -0.09 -4.58 117.46 121.06 3ith n PHE 124 Ca 0.03 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.65 3ith n PHE 124 Cb 0.46 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.29 3ith n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3ith h ARG 125 N 0.14 0.13 -0.35 -4.13 3.08 -1.29 -3.06 114.38 108.89 3ith h ARG 125 Ca 0.00 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.07 3ith h ARG 125 Cb 0.41 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.39 3ith h ARG 125 CO 0.00 0.09 -0.21 0.36 -1.07 0.00 0.00 179.97 179.14 3ith n LYS 126 N -5.12 -0.15 -0.27 0.04 2.85 -1.26 -0.88 118.16 113.37 3ith n LYS 126 Ca -0.00 0.84 0.32 0.00 -1.05 0.00 0.00 58.31 58.42 3ith n LYS 126 Cb 0.14 -1.25 0.54 0.00 -0.65 0.00 0.00 35.03 33.81 3ith n LYS 126 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 177.40 179.23 3ith h TYR 127 N 0.00 0.00 -0.56 5.58 0.05 -1.87 -0.20 116.97 119.97 3ith h TYR 127 Ca 0.06 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.59 3ith h TYR 127 Cb 0.14 0.00 -0.15 0.00 1.01 0.00 0.00 36.73 37.74 3ith h TYR 127 CO -0.66 0.00 0.31 0.25 -1.05 0.00 0.00 178.16 177.02 3ith n THR 128 N -3.43 2.22 -2.21 -2.88 -2.24 -0.06 -4.67 114.28 101.03 3ith n THR 128 Ca 0.25 -1.12 -0.41 0.00 -2.27 0.00 0.00 64.05 60.50 3ith n THR 128 Cb 1.52 -0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 69.13 3ith n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ith s ALA 129 N -2.07 3.51 0.26 6.98 0.00 -0.09 -3.96 121.76 126.38 3ith s ALA 129 Ca 0.35 1.14 0.04 0.00 0.00 0.00 0.00 51.96 53.50 3ith s ALA 129 Cb 0.29 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.89 3ith s ALA 129 CO 0.08 -0.53 -0.00 -0.59 0.00 0.00 0.00 175.76 174.71 3ith s PHE 130 N -0.47 1.71 0.10 0.00 -0.71 -0.43 -1.97 117.98 116.21 3ith s PHE 130 Ca 0.53 -0.89 0.03 0.00 -1.04 0.00 0.00 56.93 55.56 3ith s PHE 130 Cb -0.37 -1.01 -0.04 0.00 -1.21 0.00 0.00 43.02 40.39 3ith s PHE 130 CO 0.44 0.03 -0.08 0.95 -1.34 0.00 0.00 175.22 175.21 3ith s THR 131 N -3.32 0.80 -0.15 -4.49 -4.23 -1.26 -1.80 115.64 101.18 3ith s THR 131 Ca 0.30 -1.76 -0.04 0.00 -1.18 0.00 0.00 61.69 59.01 3ith s THR 131 Cb 0.06 -1.47 -0.03 0.00 1.34 0.00 0.00 72.50 72.39 3ith s THR 131 CO 0.11 -0.71 0.00 -0.63 -0.54 0.00 0.00 174.62 172.85 3ith s ILE 132 N -2.97 4.26 -0.41 2.99 1.01 0.23 -4.88 121.20 121.43 3ith s ILE 132 Ca 0.08 -0.23 -0.28 0.00 0.00 0.00 0.00 60.65 60.21 3ith s ILE 132 Cb 0.01 -2.86 -0.01 0.00 0.01 0.00 0.00 42.46 39.60 3ith s ILE 132 CO -0.02 0.51 1.74 -2.16 0.00 0.00 0.00 174.94 175.01 3ith s PRO 133 N 0.05 3.21 1.12 2.79 0.04 -1.26 -1.81 135.00 139.14 3ith s PRO 133 Ca 0.02 1.15 -0.15 0.00 0.04 0.00 0.00 61.00 62.06 3ith s PRO 133 Cb -0.13 -4.21 0.17 0.00 0.04 0.00 0.00 34.50 30.37 3ith s PRO 133 CO 0.02 -2.01 0.51 -1.13 0.04 0.00 0.00 177.00 174.43 3ith n SER 134 N 10.60 -1.94 -4.65 6.66 3.41 -1.26 -4.87 113.62 121.56 3ith n SER 134 Ca 0.21 -0.06 -0.43 0.00 -0.26 0.00 0.00 58.87 58.33 3ith n SER 134 Cb 0.48 -1.13 -0.02 0.00 -0.26 0.00 0.00 64.21 63.28 3ith n SER 134 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3ith s ILE 135 N -2.34 3.99 -0.09 -1.33 -0.00 -1.26 -4.39 121.20 115.77 3ith s ILE 135 Ca 0.62 1.18 -0.03 0.00 -0.00 0.00 0.00 60.65 62.41 3ith s ILE 135 Cb -0.19 -3.82 0.00 0.00 -0.00 0.00 0.00 42.46 38.46 3ith s ILE 135 CO 0.65 -0.17 0.10 0.59 -0.00 0.00 0.00 174.94 176.11 3ith n ASN 136 N 7.11 -0.77 -3.83 4.36 4.13 -1.26 -3.41 115.26 121.59 3ith n ASN 136 Ca 0.16 -0.08 -0.22 0.00 1.68 0.00 0.00 54.58 56.12 3ith n ASN 136 Cb 0.44 -0.24 0.01 0.00 -1.54 0.00 0.00 39.78 38.45 3ith n ASN 136 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3ith n ASN 137 N 0.44 -1.95 0.00 6.41 3.02 -1.26 -4.70 115.26 117.21 3ith n ASN 137 Ca -0.03 -0.61 0.00 0.00 -0.03 0.00 0.00 54.58 53.91 3ith n ASN 137 Cb 0.10 -0.74 0.00 0.00 -0.61 0.00 0.00 39.78 38.53 3ith n ASN 137 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3ith n GLU 138 N -2.77 3.61 -4.02 3.52 4.07 -1.22 -5.09 120.64 118.73 3ith n GLU 138 Ca -0.06 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 56.96 3ith n GLU 138 Cb 0.27 -0.40 -0.09 0.00 -0.06 0.00 0.00 31.44 31.16 3ith n GLU 138 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 3ith s THR 139 N -0.28 0.16 0.99 6.31 -4.23 -1.26 -5.14 115.64 112.19 3ith s THR 139 Ca 0.00 -1.61 -0.12 0.00 -1.18 0.00 0.00 61.69 58.78 3ith s THR 139 Cb 0.00 -1.62 0.19 0.00 1.34 0.00 0.00 72.50 72.41 3ith s THR 139 CO 0.00 -0.71 1.08 -2.16 -0.54 0.00 0.00 174.62 172.29 3ith s PRO 140 N -3.94 0.46 0.62 3.99 0.04 -1.26 -4.68 135.00 130.22 3ith s PRO 140 Ca 0.11 0.77 -0.04 0.00 0.04 0.00 0.00 61.00 61.88 3ith s PRO 140 Cb 0.06 -1.72 0.13 0.00 0.04 0.00 0.00 34.50 33.01 3ith s PRO 140 CO -0.07 -2.78 0.84 0.41 0.04 0.00 0.00 177.00 175.45 3ith n GLY 141 N -0.60 0.04 3.61 0.56 0.00 -1.26 -4.47 105.19 103.08 3ith n GLY 141 Ca 0.06 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 3ith n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ith s ILE 142 N -2.59 4.81 -0.42 -0.61 -1.09 -0.75 -4.85 121.20 115.70 3ith s ILE 142 Ca 0.53 1.17 -0.15 0.00 -2.23 0.00 0.00 60.65 59.97 3ith s ILE 142 Cb -0.02 -4.13 0.03 0.00 -1.58 0.00 0.00 42.46 36.76 3ith s ILE 142 CO 0.36 -0.23 0.31 -0.13 -1.23 0.00 0.00 174.94 174.03 3ith s ARG 143 N 2.91 2.96 -0.03 2.79 0.52 -1.26 -0.60 118.95 126.24 3ith s ARG 143 Ca 0.32 -1.11 0.06 0.00 -0.52 0.00 0.00 55.73 54.48 3ith s ARG 143 Cb -0.14 -4.00 -0.02 0.00 0.52 0.00 0.00 34.95 31.31 3ith s ARG 143 CO 0.12 -0.81 -0.19 0.71 0.02 0.00 0.00 175.30 175.15 3ith s TYR 144 N 1.66 2.56 0.24 -0.53 2.02 -0.75 0.05 117.35 122.60 3ith s TYR 144 Ca 0.05 -0.27 0.10 0.00 -0.37 0.00 0.00 57.07 56.58 3ith s TYR 144 Cb -0.20 -1.57 -0.04 0.00 -0.40 0.00 0.00 41.96 39.75 3ith s TYR 144 CO 0.09 0.12 -0.05 1.14 -1.57 0.00 0.00 175.55 175.27 3ith s GLN 145 N -0.77 2.16 0.19 -0.62 -2.07 -0.97 -1.31 119.66 116.27 3ith s GLN 145 Ca 0.11 -1.40 -0.11 0.00 -1.82 0.00 0.00 55.36 52.14 3ith s GLN 145 Cb -0.10 -2.12 -0.07 0.00 -1.09 0.00 0.00 33.01 29.62 3ith s GLN 145 CO 0.00 0.38 0.53 0.71 -1.32 0.00 0.00 175.29 175.60 3ith s TYR 146 N -2.15 3.50 -0.11 9.60 1.51 -1.25 -1.98 117.35 126.46 3ith s TYR 146 Ca 0.29 0.91 -0.01 0.00 -1.01 0.00 0.00 57.07 57.25 3ith s TYR 146 Cb -0.07 -2.27 -0.07 0.00 -0.11 0.00 0.00 41.96 39.44 3ith s TYR 146 CO 0.18 0.35 -0.11 0.09 -1.11 0.00 0.00 175.55 174.95 3ith n ASN 147 N 0.25 2.64 -3.66 2.29 3.02 0.33 -4.73 115.26 115.40 3ith n ASN 147 Ca -0.02 -0.01 -0.14 0.00 -0.03 0.00 0.00 54.58 54.38 3ith n ASN 147 Cb 0.52 -0.21 0.06 0.00 -0.61 0.00 0.00 39.78 39.54 3ith n ASN 147 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3ith n VAL 148 N -2.98 0.00 -2.41 2.41 0.24 -1.24 0.65 118.33 114.99 3ith n VAL 148 Ca -0.20 -1.05 -0.43 0.00 -2.04 0.00 0.00 64.34 60.62 3ith n VAL 148 Cb 0.70 -0.95 -0.02 0.00 -1.47 0.00 0.00 33.84 32.09 3ith n VAL 148 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3ith s LEU 149 N 0.00 3.64 0.33 1.34 1.43 -1.17 -4.55 118.68 119.69 3ith s LEU 149 Ca 0.40 0.81 -0.27 0.00 -1.03 0.00 0.00 54.13 54.04 3ith s LEU 149 Cb -0.03 -3.54 -0.13 0.00 0.03 0.00 0.00 46.19 42.52 3ith s LEU 149 CO 0.26 -1.35 0.94 -2.65 0.23 0.00 0.00 176.35 173.79 3ith n PRO 150 N 7.92 1.22 0.12 1.29 -0.02 -1.26 -4.39 135.00 139.87 3ith n PRO 150 Ca 0.15 0.43 0.10 0.00 -2.02 0.00 0.00 63.50 62.16 3ith n PRO 150 Cb 0.48 -1.82 0.47 0.00 -0.02 0.00 0.00 33.50 32.61 3ith n PRO 150 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3ith n GLN 151 N 0.60 0.13 -0.04 -0.52 -0.06 -1.26 -3.41 117.38 112.82 3ith n GLN 151 Ca 0.10 0.52 -0.08 0.00 -2.00 0.00 0.00 57.00 55.54 3ith n GLN 151 Cb 0.34 -1.84 -0.03 0.00 -4.06 0.00 0.00 30.24 24.64 3ith n GLN 151 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3ith n GLY 152 N -0.77 -0.13 0.00 1.69 0.00 -1.26 -5.06 105.19 99.66 3ith n GLY 152 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3ith n GLY 152 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3ith n TRP 153 N -3.09 0.00 0.16 1.61 -0.00 -1.22 -4.82 117.44 110.08 3ith n TRP 153 Ca -0.16 0.00 0.01 0.00 -0.00 0.00 0.00 57.50 57.35 3ith n TRP 153 Cb 0.64 0.00 0.27 0.00 -0.00 0.00 0.00 31.31 32.22 3ith n TRP 153 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 177.69 177.47 3ith h LYS 154 N 0.00 0.00 0.00 5.87 3.64 -1.91 -2.85 116.57 121.32 3ith h LYS 154 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3ith h LYS 154 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3ith h LYS 154 CO 0.00 0.48 -0.07 0.41 -2.27 0.00 0.00 179.45 178.00 3ith n GLY 155 N -0.12 -1.55 0.33 5.01 0.00 -1.26 -4.56 105.19 103.03 3ith n GLY 155 Ca -0.02 -0.10 -0.17 0.00 0.00 0.00 0.00 46.02 45.74 3ith n GLY 155 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ith h SER 156 N 0.00 -0.66 -0.12 1.61 0.02 -1.80 -1.00 113.55 111.60 3ith h SER 156 Ca 0.00 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.84 3ith h SER 156 Cb 0.59 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 3ith h SER 156 CO 0.00 -0.42 -0.25 1.55 -1.14 0.00 0.00 176.83 176.57 3ith h PRO 157 N -0.86 0.57 -0.31 3.45 0.13 -1.82 0.21 132.00 133.38 3ith h PRO 157 Ca -0.08 -0.22 -0.01 0.00 -0.87 0.00 0.00 66.00 64.82 3ith h PRO 157 Cb 0.63 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 3ith h PRO 157 CO 0.13 0.77 0.16 0.00 -0.23 0.00 0.00 178.00 178.83 3ith h ALA 158 N 1.23 0.39 -0.14 -0.56 0.00 -1.79 -0.85 119.26 117.54 3ith h ALA 158 Ca 0.07 -0.08 -0.22 0.00 0.00 0.00 0.00 54.91 54.68 3ith h ALA 158 Cb 0.70 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.38 3ith h ALA 158 CO 0.05 -0.07 -0.78 0.82 0.00 0.00 0.00 179.25 179.27 3ith h ILE 159 N 0.37 1.28 0.43 0.00 2.04 -1.13 -2.48 117.51 118.02 3ith h ILE 159 Ca 0.11 -1.98 -0.01 0.00 1.00 0.00 0.00 64.86 63.98 3ith h ILE 159 Cb 0.08 2.03 -0.03 0.00 -0.74 0.00 0.00 36.82 38.17 3ith h ILE 159 CO -0.02 0.63 -0.47 0.15 0.00 0.00 0.00 178.15 178.44 3ith h PHE 160 N 0.50 -1.30 -0.38 1.37 3.57 -0.86 0.49 116.94 120.33 3ith h PHE 160 Ca -0.06 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.56 3ith h PHE 160 Cb 1.42 0.51 -0.02 0.00 2.79 0.00 0.00 35.95 40.65 3ith h PHE 160 CO 0.09 -0.63 0.27 0.37 -2.23 0.00 0.00 178.31 176.19 3ith h GLN 161 N -0.92 0.04 0.32 1.11 4.15 -1.19 0.27 115.11 118.89 3ith h GLN 161 Ca -0.04 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 3ith h GLN 161 Cb 0.82 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.50 3ith h GLN 161 CO -0.09 0.02 -0.15 1.03 -1.93 0.00 0.00 178.83 177.71 3ith h SER 162 N 0.04 -0.37 -0.91 -0.69 0.87 -0.88 -2.05 113.55 109.56 3ith h SER 162 Ca 0.18 -0.18 0.17 0.00 -1.23 0.00 0.00 61.79 60.73 3ith h SER 162 Cb 0.67 0.09 -0.07 0.00 -0.44 0.00 0.00 62.40 62.65 3ith h SER 162 CO -0.01 0.07 0.59 0.28 -0.53 0.00 0.00 176.83 177.23 3ith h SER 163 N -0.91 0.60 -0.40 6.23 0.02 0.20 0.00 113.55 119.28 3ith h SER 163 Ca -0.04 0.05 -0.14 0.00 -0.84 0.00 0.00 61.79 60.82 3ith h SER 163 Cb 0.52 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 3ith h SER 163 CO 0.07 0.27 -0.27 -0.03 -1.14 0.00 0.00 176.83 175.73 3ith h MET 164 N 0.62 0.92 -0.50 3.45 -1.53 -0.52 -2.31 114.93 115.07 3ith h MET 164 Ca 0.48 -0.42 -0.04 0.00 -3.44 0.00 0.00 59.70 56.28 3ith h MET 164 Cb 0.89 -0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.90 3ith h MET 164 CO -0.22 1.07 0.16 1.15 0.14 0.00 0.00 176.91 179.20 3ith h THR 165 N 0.78 1.23 0.00 -0.77 2.02 -0.28 -0.88 112.91 115.01 3ith h THR 165 Ca 0.09 -0.77 -0.03 0.00 0.77 0.00 0.00 66.41 66.47 3ith h THR 165 Cb 0.84 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 68.03 3ith h THR 165 CO 0.07 0.28 -0.16 0.11 0.37 0.00 0.00 175.52 176.19 3ith h LYS 166 N 0.67 0.00 0.00 6.66 1.57 -1.20 -2.11 116.57 122.16 3ith h LYS 166 Ca 0.16 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.77 3ith h LYS 166 Cb 0.27 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 3ith h LYS 166 CO -0.00 0.16 -1.33 0.82 -0.57 0.00 0.00 179.45 178.53 3ith h ILE 167 N 0.00 0.59 0.00 1.86 2.04 -0.89 -3.33 117.51 117.77 3ith h ILE 167 Ca -0.00 -2.10 -0.20 0.00 1.00 0.00 0.00 64.86 63.55 3ith h ILE 167 Cb 0.32 2.12 -0.03 0.00 -0.74 0.00 0.00 36.82 38.49 3ith h ILE 167 CO 0.02 0.33 -1.17 -0.07 0.00 0.00 0.00 178.15 177.26 3ith h LEU 168 N 0.00 0.00 -0.81 1.44 3.38 -1.03 -3.39 115.31 114.90 3ith h LEU 168 Ca -0.15 0.00 0.14 0.00 0.09 0.00 0.00 57.88 57.96 3ith h LEU 168 Cb 1.60 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 42.21 3ith h LEU 168 CO 0.05 0.82 -0.33 -0.08 0.09 0.00 0.00 178.44 179.00 3ith h GLU 169 N 0.00 -0.06 -0.04 1.13 4.81 -1.50 0.36 114.58 119.28 3ith h GLU 169 Ca -0.11 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.13 3ith h GLU 169 Cb 1.73 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 31.12 3ith h GLU 169 CO 0.09 -0.04 0.03 -1.35 -0.73 0.00 0.00 179.01 177.01 3ith h PRO 170 N -0.06 0.00 0.00 0.92 0.11 -1.79 -2.45 132.00 128.73 3ith h PRO 170 Ca 0.32 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.41 3ith h PRO 170 Cb 0.59 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.69 3ith h PRO 170 CO -0.85 0.00 -0.17 0.35 -0.21 0.00 0.00 178.00 177.13 3ith h PHE 171 N 0.00 0.00 -0.59 0.65 3.04 -0.65 -3.20 116.94 116.20 3ith h PHE 171 Ca 0.02 0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.07 3ith h PHE 171 Cb 0.08 0.00 -0.11 0.00 2.56 0.00 0.00 35.95 38.47 3ith h PHE 171 CO 0.00 0.25 -0.37 0.87 -2.02 0.00 0.00 178.31 177.04 3ith h LYS 172 N -1.00 -0.18 -0.73 1.11 1.57 -0.93 0.01 116.57 116.42 3ith h LYS 172 Ca -0.02 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 58.93 3ith h LYS 172 Cb 0.34 0.04 -0.11 0.00 0.08 0.00 0.00 32.23 32.58 3ith h LYS 172 CO -0.01 -0.12 0.15 0.87 -0.57 0.00 0.00 179.45 179.77 3ith h LYS 173 N -0.19 0.24 0.00 3.15 1.57 -1.60 0.12 116.57 119.85 3ith h LYS 173 Ca 0.21 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3ith h LYS 173 Cb 0.56 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.81 3ith h LYS 173 CO -0.68 0.16 0.00 0.94 -0.57 0.00 0.00 179.45 179.29 3ith n GLN 174 N -5.18 0.05 -3.48 3.15 7.27 -0.17 -4.21 117.38 114.81 3ith n GLN 174 Ca 0.14 0.07 -0.27 0.00 0.07 0.00 0.00 57.00 57.02 3ith n GLN 174 Cb 0.46 -1.56 -0.10 0.00 2.41 0.00 0.00 30.24 31.45 3ith n GLN 174 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 3ith n ASN 175 N -1.64 1.00 -0.07 1.69 5.03 0.41 -4.99 115.26 116.69 3ith n ASN 175 Ca 0.06 -2.77 -0.07 0.00 0.87 0.00 0.00 54.58 52.67 3ith n ASN 175 Cb 0.33 -0.63 -0.01 0.00 -1.02 0.00 0.00 39.78 38.45 3ith n ASN 175 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.26 174.78 3ith h PRO 176 N 5.07 0.01 -1.86 3.52 0.11 -1.72 -2.86 132.00 134.27 3ith h PRO 176 Ca 0.19 -0.00 0.55 0.00 0.11 0.00 0.00 66.00 66.85 3ith h PRO 176 Cb 0.84 -0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.86 3ith h PRO 176 CO 0.53 0.01 1.33 -0.44 -0.21 0.00 0.00 178.00 179.21 3ith h ASP 177 N 0.01 0.03 -3.20 -2.05 3.32 -1.94 -3.41 116.42 109.19 3ith h ASP 177 Ca 0.13 0.02 -0.65 0.00 0.02 0.00 0.00 57.03 56.55 3ith h ASP 177 Cb 0.19 0.02 -0.15 0.00 0.22 0.00 0.00 39.33 39.62 3ith h ASP 177 CO -0.27 -0.03 -0.58 -0.63 -1.72 0.00 0.00 179.24 176.01 3ith s ILE 178 N -4.92 4.66 -0.17 0.35 1.01 -1.08 -4.46 121.20 116.58 3ith s ILE 178 Ca -0.05 -0.10 -0.06 0.00 0.00 0.00 0.00 60.65 60.43 3ith s ILE 178 Cb 0.27 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 3ith s ILE 178 CO 0.88 0.54 0.04 0.68 0.00 0.00 0.00 174.94 177.08 3ith s VAL 179 N -0.27 4.62 -0.20 2.92 -7.23 -0.51 -4.98 120.40 114.75 3ith s VAL 179 Ca 0.08 -0.10 0.01 0.00 -1.81 0.00 0.00 61.98 60.16 3ith s VAL 179 Cb -0.12 -3.06 0.04 0.00 0.56 0.00 0.00 36.38 33.80 3ith s VAL 179 CO 0.02 0.48 -0.11 -0.63 -0.31 0.00 0.00 175.10 174.54 3ith s ILE 180 N 0.25 1.70 -0.14 -0.62 1.01 -1.26 -1.24 121.20 120.90 3ith s ILE 180 Ca 0.03 -1.01 -0.03 0.00 0.00 0.00 0.00 60.65 59.63 3ith s ILE 180 Cb -0.13 -1.74 -0.03 0.00 0.01 0.00 0.00 42.46 40.57 3ith s ILE 180 CO 0.01 0.21 -0.04 -0.31 0.00 0.00 0.00 174.94 174.81 3ith s TYR 181 N 1.38 3.03 -0.18 3.97 2.02 -0.40 -5.01 117.35 122.15 3ith s TYR 181 Ca -0.01 -0.21 -0.16 0.00 -0.37 0.00 0.00 57.07 56.31 3ith s TYR 181 Cb -0.16 -1.92 -0.04 0.00 -0.40 0.00 0.00 41.96 39.44 3ith s TYR 181 CO -0.09 0.05 0.42 -1.14 -1.57 0.00 0.00 175.55 173.23 3ith s GLN 182 N 0.13 4.21 -0.39 -0.62 -0.44 -1.26 -2.31 119.66 118.98 3ith s GLN 182 Ca -0.01 0.27 0.03 0.00 -2.50 0.00 0.00 55.36 53.15 3ith s GLN 182 Cb -0.14 -3.51 0.16 0.00 -1.64 0.00 0.00 33.01 27.88 3ith s GLN 182 CO 0.03 -0.00 0.38 -0.47 0.50 0.00 0.00 175.29 175.72 3ith s TYR 183 N 1.18 0.04 0.00 1.67 5.04 -0.65 -5.05 117.35 119.58 3ith s TYR 183 Ca 0.21 -1.26 0.00 0.00 -2.44 0.00 0.00 57.07 53.58 3ith s TYR 183 Cb -0.15 -0.53 0.00 0.00 0.35 0.00 0.00 41.96 41.64 3ith s TYR 183 CO 0.08 -0.95 0.00 -1.33 -1.34 0.00 0.00 175.55 172.01 3ith n MET 184 N 3.77 0.00 -0.36 4.97 2.81 -1.26 -2.92 117.12 124.13 3ith n MET 184 Ca 0.16 0.00 0.26 0.00 -1.81 0.00 0.00 57.70 56.31 3ith n MET 184 Cb 0.45 0.00 0.54 0.00 -0.71 0.00 0.00 33.22 33.50 3ith n MET 184 CO 0.00 0.00 0.00 0.38 1.51 0.00 0.00 175.97 177.86 3ith h ASP 185 N 9.03 0.41 -3.57 7.83 3.04 -1.99 -3.42 116.42 127.76 3ith h ASP 185 Ca 0.00 0.11 -0.52 0.00 -3.24 0.00 0.00 57.03 53.38 3ith h ASP 185 Cb 0.00 0.06 -0.02 0.00 -1.04 0.00 0.00 39.33 38.32 3ith h ASP 185 CO 0.00 -0.01 0.35 -1.81 -2.04 0.00 0.00 179.24 175.73 3ith s ASP 186 N -5.02 7.49 -0.56 4.15 1.01 -1.15 -1.61 116.67 120.98 3ith s ASP 186 Ca -0.09 1.78 0.04 0.00 0.71 0.00 0.00 52.55 55.00 3ith s ASP 186 Cb 0.27 -2.58 0.17 0.00 1.01 0.00 0.00 42.92 41.79 3ith s ASP 186 CO 0.80 -0.04 0.41 -0.22 0.21 0.00 0.00 175.17 176.34 3ith s LEU 187 N -0.12 3.16 0.08 1.23 2.96 -1.10 -1.64 118.68 123.25 3ith s LEU 187 Ca 0.46 -3.44 -0.31 0.00 -0.22 0.00 0.00 54.13 50.62 3ith s LEU 187 Cb -0.23 -1.06 -0.09 0.00 0.50 0.00 0.00 46.19 45.31 3ith s LEU 187 CO 0.30 -0.13 1.75 -0.47 -1.32 0.00 0.00 176.35 176.48 3ith s TYR 188 N -0.68 2.17 -0.22 5.38 6.14 -0.98 -3.06 117.35 126.10 3ith s TYR 188 Ca 0.28 0.10 0.00 0.00 0.64 0.00 0.00 57.07 58.10 3ith s TYR 188 Cb -0.01 -4.07 0.06 0.00 0.42 0.00 0.00 41.96 38.35 3ith s TYR 188 CO -0.17 -4.42 -0.04 0.08 0.64 0.00 0.00 175.55 171.64 3ith s VAL 189 N 2.94 1.35 0.17 3.14 1.01 0.11 -1.27 120.40 127.84 3ith s VAL 189 Ca 0.78 -1.08 0.07 0.00 0.00 0.00 0.00 61.98 61.75 3ith s VAL 189 Cb -0.42 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 3ith s VAL 189 CO 0.35 -0.11 -0.15 -0.83 0.00 0.00 0.00 175.10 174.36 3ith s GLY 190 N 1.48 1.32 0.13 4.51 0.00 -0.37 -0.68 107.32 113.71 3ith s GLY 190 Ca -0.05 -1.52 -0.26 0.00 0.00 0.00 0.00 44.72 42.90 3ith s GLY 190 CO -0.07 -1.59 1.02 -1.35 0.00 0.00 0.00 173.10 171.12 3ith s SER 191 N -2.90 -0.14 0.03 1.64 1.04 0.38 -1.43 113.70 112.32 3ith s SER 191 Ca 0.17 -0.38 0.22 0.00 0.48 0.00 0.00 55.95 56.44 3ith s SER 191 Cb -0.03 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 3ith s SER 191 CO 0.06 -0.81 0.94 0.47 0.98 0.00 0.00 173.24 174.88 3ith n ASP 192 N -0.53 0.60 -4.24 7.02 8.00 -1.26 -0.55 116.55 125.59 3ith n ASP 192 Ca -0.06 -0.32 -0.35 0.00 0.71 0.00 0.00 54.79 54.77 3ith n ASP 192 Cb 0.61 0.97 0.07 0.00 -0.02 0.00 0.00 41.12 42.76 3ith n ASP 192 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3ith n LEU 193 N -1.91 -2.77 -4.82 0.64 4.77 -1.26 -4.77 117.00 106.89 3ith n LEU 193 Ca 0.02 0.33 -0.31 0.00 -0.03 0.00 0.00 56.01 56.02 3ith n LEU 193 Cb 0.43 -1.00 0.07 0.00 -2.33 0.00 0.00 43.42 40.59 3ith n LEU 193 CO 0.41 -4.66 0.71 -0.70 -1.33 0.00 0.00 177.39 171.82 3ith s GLU 194 N -2.65 2.59 0.15 3.23 2.56 -1.26 -4.46 118.70 118.87 3ith s GLU 194 Ca 0.51 0.81 0.08 0.00 0.00 0.00 0.00 54.97 56.37 3ith s GLU 194 Cb -0.24 -1.96 0.45 0.00 2.00 0.00 0.00 34.13 34.38 3ith s GLU 194 CO 0.73 -1.31 1.17 -0.89 -0.56 0.00 0.00 175.26 174.40 3ith n ILE 195 N -3.25 1.23 -0.05 -3.70 5.41 -1.26 -0.56 119.36 117.18 3ith n ILE 195 Ca 0.07 0.61 -0.07 0.00 1.00 0.00 0.00 62.75 64.36 3ith n ILE 195 Cb 0.55 -1.61 -0.05 0.00 -0.71 0.00 0.00 39.64 37.81 3ith n ILE 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3ith n GLY 196 N -1.35 -0.15 0.05 7.39 0.00 -1.26 -3.91 105.19 105.97 3ith n GLY 196 Ca -0.01 -0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 3ith n GLY 196 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3ith h GLN 197 N 0.00 0.03 0.13 1.61 4.20 -1.71 -2.17 115.11 117.20 3ith h GLN 197 Ca -0.24 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.48 3ith h GLN 197 Cb 1.37 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.10 3ith h GLN 197 CO -0.04 0.24 -0.52 1.25 -0.67 0.00 0.00 178.83 179.10 3ith h HIS 198 N -0.18 -1.49 -0.67 2.96 2.76 -1.07 -1.36 115.15 116.10 3ith h HIS 198 Ca 0.01 0.04 0.19 0.00 -2.20 0.00 0.00 60.37 58.41 3ith h HIS 198 Cb 0.22 0.63 -0.03 0.00 1.55 0.00 0.00 27.41 29.79 3ith h HIS 198 CO -0.00 -0.59 0.83 -0.09 -1.30 0.00 0.00 177.93 176.78 3ith h ARG 199 N -0.75 0.00 0.08 5.26 1.12 -1.65 0.16 114.38 118.60 3ith h ARG 199 Ca -0.00 0.00 -0.33 0.00 -1.11 0.00 0.00 59.98 58.53 3ith h ARG 199 Cb 0.76 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.69 3ith h ARG 199 CO -0.28 0.00 -1.85 1.15 -3.11 0.00 0.00 179.97 175.88 3ith h THR 200 N 0.00 0.75 -0.52 0.20 2.02 -0.61 -3.27 112.91 111.48 3ith h THR 200 Ca 0.32 -2.51 0.07 0.00 0.77 0.00 0.00 66.41 65.06 3ith h THR 200 Cb 1.97 2.50 -0.03 0.00 -1.74 0.00 0.00 68.15 70.85 3ith h THR 200 CO -0.00 0.74 0.35 0.11 0.37 0.00 0.00 175.52 177.09 3ith h LYS 201 N 0.05 0.39 0.30 6.66 1.79 0.25 -2.05 116.57 123.95 3ith h LYS 201 Ca -0.36 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.09 3ith h LYS 201 Cb 2.03 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 32.56 3ith h LYS 201 CO 0.09 0.26 -0.34 0.82 -1.08 0.00 0.00 179.45 179.20 3ith h ILE 202 N 0.40 0.29 -0.69 1.86 1.08 -1.45 0.24 117.51 119.25 3ith h ILE 202 Ca 0.23 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.84 3ith h ILE 202 Cb 0.39 0.29 -0.13 0.00 -3.07 0.00 0.00 36.82 34.30 3ith h ILE 202 CO -0.06 0.00 -0.12 -0.33 -0.69 0.00 0.00 178.15 176.95 3ith h GLU 203 N -0.68 0.03 0.42 2.37 5.08 -1.44 0.61 114.58 120.95 3ith h GLU 203 Ca -0.01 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3ith h GLU 203 Cb 0.64 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 3ith h GLU 203 CO -0.09 0.02 -0.43 0.93 -1.00 0.00 0.00 179.01 178.44 3ith h GLU 204 N 0.03 -0.83 -0.90 2.33 5.08 -1.10 0.33 114.58 119.51 3ith h GLU 204 Ca 0.34 0.06 0.25 0.00 -1.00 0.00 0.00 59.36 59.01 3ith h GLU 204 Cb 0.54 0.19 -0.15 0.00 0.50 0.00 0.00 28.75 29.83 3ith h GLU 204 CO -0.68 -0.55 0.26 1.25 -1.00 0.00 0.00 179.01 178.29 3ith h LEU 205 N -0.86 0.03 -0.10 1.33 5.85 0.20 0.72 115.31 122.48 3ith h LEU 205 Ca -0.04 0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 3ith h LEU 205 Cb 0.77 0.27 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 3ith h LEU 205 CO -0.07 -0.17 -0.01 0.03 -0.34 0.00 0.00 178.44 177.87 3ith h ARG 206 N 0.20 0.19 0.21 1.25 3.08 0.12 -0.23 114.38 119.19 3ith h ARG 206 Ca 0.58 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.57 3ith h ARG 206 Cb 1.20 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.20 3ith h ARG 206 CO -0.67 0.48 -0.45 1.96 -1.07 0.00 0.00 179.97 180.22 3ith h GLN 207 N -0.12 -0.72 -0.30 0.04 4.20 0.11 0.56 115.11 118.88 3ith h GLN 207 Ca 0.03 0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.81 3ith h GLN 207 Cb 0.40 0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.31 3ith h GLN 207 CO 0.01 -0.48 -0.19 1.25 -0.67 0.00 0.00 178.83 178.75 3ith h HIS 208 N -0.74 -0.62 -0.96 2.96 2.76 -0.94 0.11 115.15 117.73 3ith h HIS 208 Ca -0.00 0.04 0.30 0.00 -2.20 0.00 0.00 60.37 58.51 3ith h HIS 208 Cb 0.73 0.31 -0.15 0.00 1.55 0.00 0.00 27.41 29.85 3ith h HIS 208 CO -0.35 -0.13 0.41 -0.07 -1.30 0.00 0.00 177.93 176.49 3ith h LEU 209 N -0.02 0.25 -0.28 0.26 3.38 -0.44 0.41 115.31 118.87 3ith h LEU 209 Ca 0.05 0.21 -0.05 0.00 0.09 0.00 0.00 57.88 58.18 3ith h LEU 209 Cb 0.14 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3ith h LEU 209 CO -0.29 -0.19 -0.01 0.25 0.09 0.00 0.00 178.44 178.29 3ith h LEU 210 N 0.23 0.50 -1.78 1.67 6.46 0.55 0.12 115.31 123.07 3ith h LEU 210 Ca 0.67 -0.31 0.44 0.00 -0.12 0.00 0.00 57.88 58.56 3ith h LEU 210 Cb 1.51 -0.13 -0.08 0.00 -0.73 0.00 0.00 40.66 41.22 3ith h LEU 210 CO -0.66 0.69 1.03 0.03 -0.62 0.00 0.00 178.44 178.91 3ith h ARG 211 N 0.29 0.06 -0.52 1.25 3.08 0.23 2.29 114.38 121.06 3ith h ARG 211 Ca 0.08 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3ith h ARG 211 Cb 0.44 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3ith h ARG 211 CO 0.02 0.04 0.00 0.91 -1.07 0.00 0.00 179.97 179.86 3ith n TRP 212 N -4.28 0.69 -1.40 3.04 7.02 -0.94 -4.89 117.44 116.68 3ith n TRP 212 Ca 0.35 -0.34 -0.01 0.00 -1.02 0.00 0.00 57.50 56.48 3ith n TRP 212 Cb 1.53 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 30.41 3ith n TRP 212 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3ith n GLY 213 N 1.51 0.40 3.56 6.99 0.00 0.77 -3.99 105.19 114.43 3ith n GLY 213 Ca 0.21 -0.98 -0.37 0.00 0.00 0.00 0.00 46.02 44.87 3ith n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ith s LEU 214 N -0.20 3.86 -0.09 0.99 2.01 0.39 -4.42 118.68 121.22 3ith s LEU 214 Ca 0.00 -0.05 -0.22 0.00 0.01 0.00 0.00 54.13 53.87 3ith s LEU 214 Cb 0.00 -2.05 -0.04 0.00 0.01 0.00 0.00 46.19 44.11 3ith s LEU 214 CO 0.00 -0.02 0.65 0.42 1.01 0.00 0.00 176.35 178.41 3ith s THR 215 N 1.56 5.07 -0.40 5.49 -4.23 -1.26 -2.64 115.64 119.22 3ith s THR 215 Ca 0.07 1.33 -0.09 0.00 -1.18 0.00 0.00 61.69 61.81 3ith s THR 215 Cb -0.15 -3.99 0.07 0.00 1.34 0.00 0.00 72.50 69.76 3ith s THR 215 CO 0.08 0.25 0.24 0.42 -0.54 0.00 0.00 174.62 175.06 3ith s THR 216 N 0.89 4.26 0.54 3.99 -4.23 -1.26 -4.22 115.64 115.61 3ith s THR 216 Ca 0.34 -1.28 -0.21 0.00 -1.18 0.00 0.00 61.69 59.37 3ith s THR 216 Cb -0.17 -3.55 -0.06 0.00 1.34 0.00 0.00 72.50 70.06 3ith s THR 216 CO 0.16 -0.43 1.09 -2.65 -0.54 0.00 0.00 174.62 172.24 3ith n PRO 217 N 4.92 1.24 -1.52 3.99 -0.02 -1.26 -4.85 135.00 137.51 3ith n PRO 217 Ca -0.11 0.46 -0.42 0.00 -2.02 0.00 0.00 63.50 61.41 3ith n PRO 217 Cb 0.44 -2.25 -0.06 0.00 -0.02 0.00 0.00 33.50 31.60 3ith n PRO 217 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3ith n ASP 218 N -0.52 2.05 0.00 2.55 -0.08 -1.26 -4.79 116.55 114.51 3ith n ASP 218 Ca 0.12 -0.02 0.00 0.00 -1.51 0.00 0.00 54.79 53.37 3ith n ASP 218 Cb 0.45 -1.37 0.00 0.00 2.34 0.00 0.00 41.12 42.53 3ith n ASP 218 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3ith n LYS 219 N 8.65 0.00 -2.75 -0.67 5.02 -1.26 -4.47 118.16 122.69 3ith n LYS 219 Ca 0.42 0.26 -0.40 0.00 -2.02 0.00 0.00 58.31 56.57 3ith n LYS 219 Cb 0.35 -1.61 -0.06 0.00 -0.02 0.00 0.00 35.03 33.69 3ith n LYS 219 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3ith s LYS 220 N -2.44 4.85 0.00 1.97 1.02 -1.26 -4.79 119.74 119.09 3ith s LYS 220 Ca 0.00 1.49 0.00 0.00 0.02 0.00 0.00 55.97 57.48 3ith s LYS 220 Cb 0.00 -3.27 0.00 0.00 -0.52 0.00 0.00 37.83 34.04 3ith s LYS 220 CO 0.00 0.51 0.00 1.58 -0.92 0.00 0.00 175.35 176.52 3ith n HIS 221 N 1.47 -0.06 0.00 3.18 -0.00 -1.26 -5.03 115.22 113.53 3ith n HIS 221 Ca -0.02 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.16 3ith n HIS 221 Cb 0.47 0.01 0.00 0.00 -0.12 0.00 0.00 29.99 30.35 3ith n HIS 221 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3ith n GLN 222 N -0.84 0.00 -0.00 1.57 10.64 -1.26 -5.01 117.38 122.48 3ith n GLN 222 Ca 0.00 0.00 0.09 0.00 -1.83 0.00 0.00 57.00 55.26 3ith n GLN 222 Cb 0.00 0.00 -0.11 0.00 -0.86 0.00 0.00 30.24 29.27 3ith n GLN 222 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 3ith n LYS 223 N 0.00 1.02 0.19 2.61 4.81 -1.26 -4.53 118.16 121.00 3ith n LYS 223 Ca 0.00 -0.03 0.13 0.00 -0.87 0.00 0.00 58.31 57.55 3ith n LYS 223 Cb 0.00 -1.36 0.65 0.00 0.02 0.00 0.00 35.03 34.34 3ith n LYS 223 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 3ith h GLU 224 N 0.00 0.00 0.86 1.64 9.09 -1.95 -3.31 114.58 120.91 3ith h GLU 224 Ca 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.37 3ith h GLU 224 Cb 0.49 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.59 3ith h GLU 224 CO 0.00 0.00 -0.44 -1.35 0.05 0.00 0.00 179.01 177.27 3ith h PRO 225 N 0.00 -1.15 0.39 1.06 0.11 -2.01 -3.31 132.00 127.08 3ith h PRO 225 Ca 0.00 0.08 -0.02 0.00 0.11 0.00 0.00 66.00 66.17 3ith h PRO 225 Cb 0.17 0.26 0.00 0.00 0.11 0.00 0.00 31.00 31.54 3ith h PRO 225 CO 0.00 -0.77 -0.19 -1.00 -0.21 0.00 0.00 178.00 175.83 3ith h PRO 226 N -1.20 -0.51 0.00 1.05 0.13 -1.94 -3.50 132.00 126.04 3ith h PRO 226 Ca -0.12 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 3ith h PRO 226 Cb 0.93 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.17 3ith h PRO 226 CO 0.18 -0.34 0.00 0.34 -0.23 0.00 0.00 178.00 177.95 3ith n PHE 227 N -3.47 0.00 -5.13 1.56 7.35 -1.25 -4.56 117.46 111.97 3ith n PHE 227 Ca -0.07 0.00 -0.32 0.00 -0.76 0.00 0.00 57.45 56.30 3ith n PHE 227 Cb 0.21 0.00 -0.16 0.00 0.35 0.00 0.00 39.48 39.88 3ith n PHE 227 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 3ith s LEU 228 N 0.00 2.27 -0.09 -2.13 1.02 -1.26 -1.20 118.68 117.30 3ith s LEU 228 Ca 0.00 -0.45 -0.00 0.00 0.02 0.00 0.00 54.13 53.70 3ith s LEU 228 Cb 0.00 -1.44 0.02 0.00 0.02 0.00 0.00 46.19 44.79 3ith s LEU 228 CO 0.00 0.23 -0.05 0.86 0.02 0.00 0.00 176.35 177.41 3ith s TRP 229 N -0.06 1.09 -0.55 0.29 -0.00 -0.43 -4.82 118.94 114.46 3ith s TRP 229 Ca -0.06 -0.45 0.00 0.00 -0.00 0.00 0.00 56.10 55.59 3ith s TRP 229 Cb -0.14 -1.00 0.00 0.00 -0.00 0.00 0.00 33.47 32.32 3ith s TRP 229 CO 0.05 -0.40 0.00 -1.33 -0.00 0.00 0.00 176.95 175.27 3ith n MET 230 N 4.87 -1.85 -0.11 5.86 2.81 -1.26 0.11 117.12 127.55 3ith n MET 230 Ca -0.12 0.66 0.00 0.00 -1.81 0.00 0.00 57.70 56.43 3ith n MET 230 Cb 0.50 -5.06 0.00 0.00 -0.71 0.00 0.00 33.22 27.95 3ith n MET 230 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ith n GLY 231 N 0.61 0.54 3.66 3.03 0.00 -1.26 -5.04 105.19 106.73 3ith n GLY 231 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 3ith n GLY 231 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ith s TYR 232 N -2.25 3.38 -0.47 1.61 2.02 0.31 -4.69 117.35 117.25 3ith s TYR 232 Ca 0.00 0.95 -0.29 0.00 -0.37 0.00 0.00 57.07 57.36 3ith s TYR 232 Cb 0.00 -2.81 0.03 0.00 -0.40 0.00 0.00 41.96 38.77 3ith s TYR 232 CO 0.00 -0.18 1.11 -2.00 -1.57 0.00 0.00 175.55 172.91 3ith s GLU 233 N 1.94 3.73 -0.39 -0.62 2.12 -0.23 -1.31 118.70 123.93 3ith s GLU 233 Ca 0.29 0.56 -0.13 0.00 0.36 0.00 0.00 54.97 56.05 3ith s GLU 233 Cb -0.16 -3.90 0.03 0.00 0.26 0.00 0.00 34.13 30.36 3ith s GLU 233 CO 0.10 -1.34 0.24 -0.51 -0.54 0.00 0.00 175.26 173.22 3ith s LEU 234 N 4.33 4.88 0.00 2.70 1.43 -0.34 -0.75 118.68 130.94 3ith s LEU 234 Ca 0.47 -0.97 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 3ith s LEU 234 Cb -0.08 -2.08 0.03 0.00 0.03 0.00 0.00 46.19 44.10 3ith s LEU 234 CO 0.30 -0.42 0.20 1.41 0.23 0.00 0.00 176.35 178.08 3ith n HIS 235 N 5.06 -3.21 0.03 0.29 8.25 -0.41 -4.77 115.22 120.46 3ith n HIS 235 Ca -0.11 -0.38 -0.19 0.00 -0.26 0.00 0.00 57.72 56.78 3ith n HIS 235 Cb 0.46 -0.14 -0.14 0.00 1.12 0.00 0.00 29.99 31.29 3ith n HIS 235 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3ith h PRO 236 N 0.00 0.25 -0.01 -0.41 0.13 -1.98 -3.39 132.00 126.59 3ith h PRO 236 Ca -0.07 -0.43 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 3ith h PRO 236 Cb 0.25 0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.54 3ith h PRO 236 CO 0.07 1.11 -0.07 -0.44 -0.23 0.00 0.00 178.00 178.45 3ith h ASP 237 N 0.07 0.08 -3.17 1.44 3.32 -1.97 -3.46 116.42 112.72 3ith h ASP 237 Ca -0.36 -0.68 -0.19 0.00 0.02 0.00 0.00 57.03 55.82 3ith h ASP 237 Cb 2.04 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 41.52 3ith h ASP 237 CO 0.12 0.75 -0.13 2.29 -1.72 0.00 0.00 179.24 180.55 3ith n LYS 238 N -4.69 0.38 -4.15 3.56 2.85 -1.26 -4.34 118.16 110.51 3ith n LYS 238 Ca -0.09 -1.75 -0.16 0.00 -1.05 0.00 0.00 58.31 55.26 3ith n LYS 238 Cb 0.37 1.62 -0.12 0.00 -0.65 0.00 0.00 35.03 36.26 3ith n LYS 238 CO 0.00 0.00 0.00 1.67 -0.05 0.00 0.00 177.40 179.02 3ith s TRP 239 N -3.55 0.97 0.28 5.58 1.48 -0.98 -1.28 118.94 121.45 3ith s TRP 239 Ca 0.19 -0.45 0.08 0.00 -1.06 0.00 0.00 56.10 54.86 3ith s TRP 239 Cb -0.00 -0.56 -0.06 0.00 -1.16 0.00 0.00 33.47 31.69 3ith s TRP 239 CO 0.13 -0.00 -0.11 0.99 -4.06 0.00 0.00 176.95 173.90 3ith s THR 240 N -1.23 1.96 -0.14 0.66 2.01 0.07 -2.95 115.64 116.02 3ith s THR 240 Ca -0.05 -2.21 -0.01 0.00 0.31 0.00 0.00 61.69 59.74 3ith s THR 240 Cb -0.09 -2.40 0.03 0.00 0.01 0.00 0.00 72.50 70.04 3ith s THR 240 CO 0.01 -0.34 -0.06 -0.69 -0.69 0.00 0.00 174.62 172.85 3ith s VAL 241 N -2.82 1.04 0.46 3.82 1.01 -0.61 -1.07 120.40 122.24 3ith s VAL 241 Ca 0.29 -0.45 -0.22 0.00 0.00 0.00 0.00 61.98 61.60 3ith s VAL 241 Cb 0.01 -1.15 -0.08 0.00 0.00 0.00 0.00 36.38 35.16 3ith s VAL 241 CO 0.13 0.24 1.10 -1.10 0.00 0.00 0.00 175.10 175.46 3ith s GLN 242 N 1.68 3.84 0.36 2.72 -1.52 -1.26 -2.70 119.66 122.77 3ith s GLN 242 Ca 0.03 1.59 -0.25 0.00 -1.95 0.00 0.00 55.36 54.78 3ith s GLN 242 Cb -0.14 -2.33 -0.13 0.00 -0.22 0.00 0.00 33.01 30.19 3ith s GLN 242 CO -0.08 -0.44 0.73 -0.35 -0.25 0.00 0.00 175.29 174.90 3ith n PRO 243 N -0.57 0.82 -3.25 2.91 -0.04 -1.26 -4.90 135.00 128.70 3ith n PRO 243 Ca 0.08 0.29 -0.38 0.00 -0.04 0.00 0.00 63.50 63.44 3ith n PRO 243 Cb 0.50 -1.61 -0.06 0.00 -0.04 0.00 0.00 33.50 32.29 3ith n PRO 243 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3ith s ILE 244 N -1.28 5.08 -0.31 0.52 1.09 -1.05 -5.05 121.20 120.20 3ith s ILE 244 Ca 0.62 1.11 -0.06 0.00 -1.10 0.00 0.00 60.65 61.22 3ith s ILE 244 Cb -0.66 -3.88 0.02 0.00 -1.06 0.00 0.00 42.46 36.88 3ith s ILE 244 CO 0.58 0.36 0.08 0.68 -0.10 0.00 0.00 174.94 176.53 3ith s VAL 245 N 0.31 3.80 0.01 2.92 -7.23 -1.26 -4.64 120.40 114.30 3ith s VAL 245 Ca 0.29 -0.88 -0.24 0.00 -1.81 0.00 0.00 61.98 59.34 3ith s VAL 245 Cb -0.16 -3.03 -0.05 0.00 0.56 0.00 0.00 36.38 33.70 3ith s VAL 245 CO 0.14 -0.00 0.73 -0.76 -0.31 0.00 0.00 175.10 174.90 3ith s LEU 246 N 1.45 4.41 0.79 1.32 1.02 -1.26 -5.04 118.68 121.36 3ith s LEU 246 Ca 0.01 1.34 -0.15 0.00 0.02 0.00 0.00 54.13 55.35 3ith s LEU 246 Cb -0.18 -3.16 -0.00 0.00 0.02 0.00 0.00 46.19 42.87 3ith s LEU 246 CO 0.02 -0.02 0.62 -0.81 0.02 0.00 0.00 176.35 176.19 3ith n PRO 247 N 3.09 0.16 -5.06 1.29 -0.04 -1.26 -5.02 135.00 128.17 3ith n PRO 247 Ca -0.02 0.11 -0.30 0.00 -0.04 0.00 0.00 63.50 63.24 3ith n PRO 247 Cb 0.51 -1.95 -0.15 0.00 -0.04 0.00 0.00 33.50 31.87 3ith n PRO 247 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3ith s GLU 248 N -3.20 1.90 0.00 0.54 2.02 -1.26 -5.11 118.70 113.60 3ith s GLU 248 Ca 0.65 -1.03 0.00 0.00 0.02 0.00 0.00 54.97 54.61 3ith s GLU 248 Cb -0.31 -1.98 0.00 0.00 0.10 0.00 0.00 34.13 31.95 3ith s GLU 248 CO 0.59 0.52 0.00 0.36 0.02 0.00 0.00 175.26 176.75 3ith n LYS 249 N 2.06 -1.01 0.00 1.61 2.85 -1.26 -4.98 118.16 117.42 3ith n LYS 249 Ca -0.16 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.10 3ith n LYS 249 Cb 0.52 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.90 3ith n LYS 249 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 3ith n ASP 250 N 1.37 1.28 -4.52 -5.58 2.03 -1.26 -4.97 116.55 104.91 3ith n ASP 250 Ca 0.00 -0.10 -0.43 0.00 0.52 0.00 0.00 54.79 54.78 3ith n ASP 250 Cb 0.00 0.45 -0.01 0.00 -0.72 0.00 0.00 41.12 40.84 3ith n ASP 250 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3ith s SER 251 N -0.71 6.76 -0.30 1.67 1.04 -1.26 -4.63 113.70 116.27 3ith s SER 251 Ca 0.00 -2.23 -0.00 0.00 0.48 0.00 0.00 55.95 54.20 3ith s SER 251 Cb 0.00 -2.50 0.06 0.00 0.10 0.00 0.00 66.02 63.68 3ith s SER 251 CO 0.00 -1.14 -0.01 0.26 0.98 0.00 0.00 173.24 173.33 3ith s TRP 252 N 3.50 3.32 1.05 5.02 0.52 -1.26 -5.08 118.94 126.01 3ith s TRP 252 Ca 0.45 -2.09 -0.14 0.00 0.02 0.00 0.00 56.10 54.34 3ith s TRP 252 Cb -0.00 -2.18 0.21 0.00 -1.15 0.00 0.00 33.47 30.35 3ith s TRP 252 CO -0.02 -0.84 1.10 0.95 0.02 0.00 0.00 176.95 178.15 3ith s THR 253 N 1.19 1.93 0.19 2.01 -4.23 -1.26 -1.87 115.64 113.60 3ith s THR 253 Ca -0.04 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.36 3ith s THR 253 Cb -0.20 -2.49 0.12 0.00 1.34 0.00 0.00 72.50 71.27 3ith s THR 253 CO -0.03 0.00 1.80 0.58 -0.54 0.00 0.00 174.62 176.43 3ith h VAL 254 N -2.06 1.22 -0.69 2.29 2.07 -1.68 -1.61 116.25 115.79 3ith h VAL 254 Ca -0.53 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 3ith h VAL 254 Cb 1.33 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 3ith h VAL 254 CO 0.53 0.25 0.36 -1.13 0.02 0.00 0.00 177.57 177.60 3ith h ASN 255 N 0.95 0.88 0.09 0.57 -0.00 -1.88 0.99 115.58 117.17 3ith h ASN 255 Ca 0.24 -0.11 -0.01 0.00 -0.00 0.00 0.00 56.30 56.42 3ith h ASN 255 Cb 0.06 -0.23 -0.00 0.00 -0.00 0.00 0.00 38.32 38.16 3ith h ASN 255 CO -0.04 0.74 -0.06 0.44 -0.00 0.00 0.00 177.43 178.51 3ith h ASP 256 N 0.95 0.00 0.14 1.15 3.32 -1.77 -1.25 116.42 118.96 3ith h ASP 256 Ca 0.24 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.10 3ith h ASP 256 Cb 0.07 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.64 3ith h ASP 256 CO -0.04 0.06 -0.86 0.40 -1.72 0.00 0.00 179.24 177.09 3ith h ILE 257 N 0.00 1.47 0.50 0.35 2.04 -0.31 -2.67 117.51 118.90 3ith h ILE 257 Ca -0.00 -2.52 -0.01 0.00 1.00 0.00 0.00 64.86 63.32 3ith h ILE 257 Cb 0.12 3.16 -0.02 0.00 -0.74 0.00 0.00 36.82 39.35 3ith h ILE 257 CO 0.01 0.71 -0.41 1.56 0.00 0.00 0.00 178.15 180.02 3ith h GLN 258 N -0.38 -0.87 -0.75 2.37 4.20 -0.66 -1.34 115.11 117.68 3ith h GLN 258 Ca -0.16 0.06 0.16 0.00 0.06 0.00 0.00 58.65 58.77 3ith h GLN 258 Cb 1.64 0.20 -0.10 0.00 0.30 0.00 0.00 27.48 29.52 3ith h GLN 258 CO 0.14 -0.58 0.24 0.87 -0.67 0.00 0.00 178.83 178.83 3ith h LYS 259 N -0.90 0.34 -0.50 1.46 1.57 -1.37 -0.77 116.57 116.39 3ith h LYS 259 Ca -0.05 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3ith h LYS 259 Cb 0.77 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 3ith h LYS 259 CO -0.01 0.22 0.27 1.25 -0.57 0.00 0.00 179.45 180.61 3ith h LEU 260 N 0.35 0.63 -2.10 2.94 5.85 -1.15 0.11 115.31 121.92 3ith h LEU 260 Ca 0.42 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 59.03 3ith h LEU 260 Cb 0.69 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 3ith h LEU 260 CO -0.46 0.54 -0.07 0.58 -0.34 0.00 0.00 178.44 178.68 3ith h VAL 261 N 0.66 0.38 0.60 1.05 2.07 -0.35 -2.32 116.25 118.35 3ith h VAL 261 Ca 0.18 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 3ith h VAL 261 Cb 0.05 1.27 0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3ith h VAL 261 CO -0.03 0.07 -0.29 1.23 0.02 0.00 0.00 177.57 178.57 3ith h GLY 262 N 0.79 -0.85 1.77 2.17 0.00 0.62 -3.13 103.07 104.45 3ith h GLY 262 Ca -0.00 0.31 -0.10 0.00 0.00 0.00 0.00 47.33 47.55 3ith h GLY 262 CO 0.01 -0.31 -0.35 1.70 0.00 0.00 0.00 176.54 177.59 3ith h LYS 263 N -1.12 0.26 -0.87 4.80 3.64 -1.37 -2.96 116.57 118.94 3ith h LYS 263 Ca -0.08 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.18 3ith h LYS 263 Cb 0.67 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.43 3ith h LYS 263 CO 0.14 0.59 0.52 -0.07 -2.27 0.00 0.00 179.45 178.35 3ith h LEU 264 N 0.22 1.04 0.49 5.20 3.38 -1.51 -2.48 115.31 121.66 3ith h LEU 264 Ca 0.03 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3ith h LEU 264 Cb 0.74 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3ith h LEU 264 CO 0.06 0.81 -0.23 0.78 0.09 0.00 0.00 178.44 179.94 3ith h ASN 265 N 1.20 -0.56 -1.20 -0.43 2.35 -1.46 -2.74 115.58 112.75 3ith h ASN 265 Ca 0.31 -0.07 0.34 0.00 -0.55 0.00 0.00 56.30 56.33 3ith h ASN 265 Cb -0.04 0.14 -0.06 0.00 0.05 0.00 0.00 38.32 38.42 3ith h ASN 265 CO -0.06 -0.22 0.85 -0.25 -1.65 0.00 0.00 177.43 176.10 3ith h TRP 266 N -0.91 0.09 0.00 1.19 7.01 -1.48 0.44 115.95 122.30 3ith h TRP 266 Ca -0.07 0.00 -0.10 0.00 2.11 0.00 0.00 58.89 60.84 3ith h TRP 266 Cb 0.59 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.61 3ith h TRP 266 CO 0.00 0.00 -0.47 0.00 -2.79 0.00 0.00 178.44 175.18 3ith h ALA 267 N 1.43 1.19 -0.53 2.65 0.00 -1.14 -3.31 119.26 119.55 3ith h ALA 267 Ca 0.59 -0.43 0.09 0.00 0.00 0.00 0.00 54.91 55.16 3ith h ALA 267 Cb 2.23 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 19.87 3ith h ALA 267 CO -0.05 0.59 0.09 0.77 0.00 0.00 0.00 179.25 180.65 3ith h SER 268 N 0.00 -0.03 -0.65 0.00 0.02 0.03 0.24 113.55 113.16 3ith h SER 268 Ca -0.00 0.10 0.05 0.00 -0.84 0.00 0.00 61.79 61.09 3ith h SER 268 Cb 0.85 0.14 -0.04 0.00 0.14 0.00 0.00 62.40 63.49 3ith h SER 268 CO 0.06 0.01 0.43 1.56 -1.14 0.00 0.00 176.83 177.75 3ith h GLN 269 N 0.23 0.69 0.00 3.45 1.08 -1.70 -3.22 115.11 115.64 3ith h GLN 269 Ca 0.27 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.41 3ith h GLN 269 Cb 0.38 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 27.65 3ith h GLN 269 CO -0.36 0.46 -0.32 0.82 -0.95 0.00 0.00 178.83 178.47 3ith h ILE 270 N 0.71 0.22 -3.34 2.54 5.03 -1.59 -3.48 117.51 117.59 3ith h ILE 270 Ca 0.27 -1.20 -0.57 0.00 -0.12 0.00 0.00 64.86 63.24 3ith h ILE 270 Cb 0.18 0.45 -0.06 0.00 -3.03 0.00 0.00 36.82 34.35 3ith h ILE 270 CO -0.08 0.07 -0.02 -0.31 -0.68 0.00 0.00 178.15 177.13 3ith s TYR 271 N -1.96 3.56 -0.70 1.37 2.02 0.79 -4.90 117.35 117.54 3ith s TYR 271 Ca -0.10 1.10 -0.27 0.00 -0.37 0.00 0.00 57.07 57.43 3ith s TYR 271 Cb 0.01 -2.68 0.01 0.00 -0.40 0.00 0.00 41.96 38.91 3ith s TYR 271 CO 0.20 0.15 1.48 -1.25 -1.57 0.00 0.00 175.55 174.56 3ith s PRO 272 N 0.61 2.99 0.00 -1.71 0.04 -1.26 -4.42 135.00 131.26 3ith s PRO 272 Ca 0.32 0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.41 3ith s PRO 272 Cb -0.17 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 30.12 3ith s PRO 272 CO 0.15 -2.35 0.00 0.41 0.04 0.00 0.00 177.00 175.24 3ith n GLY 273 N 5.49 0.88 3.06 0.56 0.00 -1.26 -4.87 105.19 109.05 3ith n GLY 273 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 3ith n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ith s ILE 274 N -0.64 3.99 0.41 -0.61 1.01 -1.26 -4.89 121.20 119.20 3ith s ILE 274 Ca 0.00 -3.88 -0.27 0.00 0.00 0.00 0.00 60.65 56.50 3ith s ILE 274 Cb 0.00 -3.51 -0.09 0.00 0.01 0.00 0.00 42.46 38.87 3ith s ILE 274 CO 0.00 -1.05 1.43 -0.54 0.00 0.00 0.00 174.94 174.78 3ith s LYS 275 N -1.26 3.91 -0.39 2.79 -0.14 -1.26 -4.93 119.74 118.45 3ith s LYS 275 Ca 0.26 2.44 0.12 0.00 -1.36 0.00 0.00 55.97 57.43 3ith s LYS 275 Cb -0.08 -2.81 0.38 0.00 -1.68 0.00 0.00 37.83 33.65 3ith s LYS 275 CO -0.12 -0.65 0.85 0.28 -0.76 0.00 0.00 175.35 174.95 3ith n VAL 276 N 0.14 0.81 0.12 3.17 0.31 -1.26 -4.85 118.33 116.77 3ith n VAL 276 Ca 0.03 -4.37 0.01 0.00 -0.01 0.00 0.00 64.34 60.01 3ith n VAL 276 Cb 0.41 -0.27 -0.01 0.00 -0.91 0.00 0.00 33.84 33.07 3ith n VAL 276 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3ith n ARG 277 N 0.06 3.93 -0.00 5.55 0.63 -1.26 -4.31 116.66 121.25 3ith n ARG 277 Ca 0.23 -0.22 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 3ith n ARG 277 Cb 0.66 -0.76 -0.02 0.00 0.45 0.00 0.00 32.46 32.79 3ith n ARG 277 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3ith n GLN 278 N -0.66 1.50 0.05 -0.14 1.13 -1.26 -4.47 117.38 113.53 3ith n GLN 278 Ca 0.01 -0.01 0.09 0.00 -1.94 0.00 0.00 57.00 55.15 3ith n GLN 278 Cb 0.05 -1.05 -0.08 0.00 0.11 0.00 0.00 30.24 29.27 3ith n GLN 278 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 3ith n LEU 279 N -1.77 0.49 0.03 1.08 7.94 -1.26 -3.74 117.00 119.76 3ith n LEU 279 Ca -0.01 0.19 0.03 0.00 -1.11 0.00 0.00 56.01 55.11 3ith n LEU 279 Cb 0.26 -0.00 0.41 0.00 0.53 0.00 0.00 43.42 44.61 3ith n LEU 279 CO 0.04 -0.06 1.08 0.00 -1.11 0.00 0.00 177.39 177.34 3ith h LYS 281 N 0.47 0.52 -0.35 0.00 3.64 -1.78 -1.49 116.57 117.59 3ith h LYS 281 Ca 0.12 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3ith h LYS 281 Cb 0.07 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3ith h LYS 281 CO -0.02 0.35 0.00 1.28 -2.27 0.00 0.00 179.45 178.79 3ith n LEU 282 N -4.54 0.35 0.00 5.20 4.77 -1.06 -4.16 117.00 117.56 3ith n LEU 282 Ca 0.18 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3ith n LEU 282 Cb 0.58 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3ith n LEU 282 CO 0.30 0.09 0.00 0.18 -1.33 0.00 0.00 177.39 176.62 3ith n LEU 283 N -0.20 0.63 -4.73 2.23 4.77 -0.56 -4.92 117.00 114.22 3ith n LEU 283 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 3ith n LEU 283 Cb 0.09 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 3ith n LEU 283 CO 0.00 0.00 1.23 -0.13 -1.33 0.00 0.00 177.39 177.16 3ith s ARG 284 N 0.00 4.20 0.00 3.23 0.52 -1.26 -2.57 118.95 123.07 3ith s ARG 284 Ca 0.00 2.41 0.00 0.00 -0.52 0.00 0.00 55.73 57.62 3ith s ARG 284 Cb 0.00 -3.12 0.00 0.00 0.52 0.00 0.00 34.95 32.35 3ith s ARG 284 CO 0.00 -0.59 0.00 0.41 0.02 0.00 0.00 175.30 175.14 3ith n GLY 285 N 3.30 1.63 1.51 -3.53 0.00 -1.26 -5.10 105.19 101.75 3ith n GLY 285 Ca 0.12 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 3ith n GLY 285 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ith n THR 286 N 0.00 0.00 -3.33 2.61 -2.24 -1.06 -5.09 114.28 105.17 3ith n THR 286 Ca 0.00 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.80 3ith n THR 286 Cb 0.00 -0.39 -0.04 0.00 -2.10 0.00 0.00 70.33 67.80 3ith n THR 286 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3ith s LYS 287 N -3.45 0.23 0.37 -0.78 2.36 -1.26 -5.13 119.74 112.07 3ith s LYS 287 Ca 0.27 0.57 0.00 0.00 -2.55 0.00 0.00 55.97 54.25 3ith s LYS 287 Cb -0.05 0.34 0.00 0.00 -1.05 0.00 0.00 37.83 37.07 3ith s LYS 287 CO 0.22 -0.10 0.00 0.00 1.55 0.00 0.00 175.35 177.03 3ith n ALA 288 N 4.94 -1.96 -0.47 3.13 0.00 -1.26 -4.53 120.51 120.35 3ith n ALA 288 Ca -0.08 0.35 -0.16 0.00 0.00 0.00 0.00 53.44 53.55 3ith n ALA 288 Cb 0.53 -1.19 0.12 0.00 0.00 0.00 0.00 19.45 18.91 3ith n ALA 288 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3ith n LEU 289 N -0.62 5.46 -0.12 0.00 -0.00 -1.26 -2.85 117.00 117.60 3ith n LEU 289 Ca 0.00 -2.89 0.02 0.00 -0.00 0.00 0.00 56.01 53.15 3ith n LEU 289 Cb 0.00 -0.72 0.03 0.00 -0.00 0.00 0.00 43.42 42.73 3ith n LEU 289 CO 0.00 0.86 0.39 0.41 -0.00 0.00 0.00 177.39 179.05 3ith n THR 290 N -0.58 0.67 -1.68 1.47 -1.04 -1.26 -2.73 114.28 109.12 3ith n THR 290 Ca 0.39 -0.75 -0.23 0.00 -2.04 0.00 0.00 64.05 61.42 3ith n THR 290 Cb 1.27 0.49 -0.09 0.00 -1.82 0.00 0.00 70.33 70.19 3ith n THR 290 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3ith n GLU 291 N -0.44 0.78 -1.49 -2.82 2.13 -1.13 -4.77 120.64 112.90 3ith n GLU 291 Ca 0.03 -1.98 -0.51 0.00 0.66 0.00 0.00 57.16 55.36 3ith n GLU 291 Cb 0.50 -3.71 -0.07 0.00 0.27 0.00 0.00 31.44 28.43 3ith n GLU 291 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3ith n VAL 292 N 8.28 0.24 -3.79 6.31 0.31 -1.26 -3.95 118.33 124.48 3ith n VAL 292 Ca 0.43 -0.23 -0.35 0.00 -0.01 0.00 0.00 64.34 64.18 3ith n VAL 292 Cb 0.46 -1.64 -0.08 0.00 -0.91 0.00 0.00 33.84 31.67 3ith n VAL 292 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3ith s ILE 293 N 6.67 5.34 -0.13 2.52 1.01 -0.78 -4.97 121.20 130.86 3ith s ILE 293 Ca 1.07 0.16 -0.29 0.00 0.00 0.00 0.00 60.65 61.59 3ith s ILE 293 Cb -0.85 -3.42 -0.05 0.00 0.01 0.00 0.00 42.46 38.14 3ith s ILE 293 CO 0.51 0.47 1.89 -2.16 0.00 0.00 0.00 174.94 175.64 3ith s PRO 294 N 0.18 3.76 -0.01 2.79 0.04 -1.26 -4.54 135.00 135.97 3ith s PRO 294 Ca 0.08 2.10 -0.33 0.00 0.04 0.00 0.00 61.00 62.89 3ith s PRO 294 Cb -0.11 -4.16 -0.11 0.00 0.04 0.00 0.00 34.50 30.15 3ith s PRO 294 CO -0.01 -1.37 1.86 1.28 0.04 0.00 0.00 177.00 178.80 3ith n LEU 295 N 8.91 3.62 0.00 -3.56 4.77 -1.26 -4.97 117.00 124.51 3ith n LEU 295 Ca 0.22 0.97 0.00 0.00 -0.03 0.00 0.00 56.01 57.17 3ith n LEU 295 Cb 0.44 -1.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.10 3ith n LEU 295 CO 0.66 -0.01 0.00 0.35 -1.33 0.00 0.00 177.39 177.06 3ith n THR 296 N 4.96 0.00 -0.10 -5.08 -2.24 -1.26 -4.85 114.28 105.71 3ith n THR 296 Ca 0.21 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.76 3ith n THR 296 Cb 0.33 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.44 3ith n THR 296 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3ith n GLU 297 N 0.00 0.59 0.03 -0.78 0.00 -1.26 -3.87 120.64 115.36 3ith n GLU 297 Ca 0.00 0.48 -0.10 0.00 0.00 0.00 0.00 57.16 57.54 3ith n GLU 297 Cb 0.00 -1.69 -0.13 0.00 0.00 0.00 0.00 31.44 29.62 3ith n GLU 297 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 3ith h GLU 298 N -0.87 0.06 0.00 3.44 4.39 -1.94 -2.49 114.58 117.16 3ith h GLU 298 Ca -0.43 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.18 3ith h GLU 298 Cb 1.45 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.13 3ith h GLU 298 CO -0.22 0.86 0.00 0.00 -1.16 0.00 0.00 179.01 178.49 3ith n ALA 299 N -2.48 1.06 -0.02 3.43 0.00 -1.26 0.28 120.51 121.51 3ith n ALA 299 Ca -0.09 0.10 0.03 0.00 0.00 0.00 0.00 53.44 53.48 3ith n ALA 299 Cb 1.00 -1.17 -0.14 0.00 0.00 0.00 0.00 19.45 19.14 3ith n ALA 299 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3ith n GLU 300 N -1.89 0.66 0.07 0.00 4.07 -1.04 -3.04 120.64 119.47 3ith n GLU 300 Ca -0.01 -0.05 -0.23 0.00 -0.06 0.00 0.00 57.16 56.82 3ith n GLU 300 Cb 0.03 -1.60 -0.15 0.00 -0.06 0.00 0.00 31.44 29.66 3ith n GLU 300 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 3ith h LEU 301 N 0.00 0.60 0.00 4.31 5.85 0.50 -3.15 115.31 123.42 3ith h LEU 301 Ca -0.18 -0.93 0.00 0.00 0.84 0.00 0.00 57.88 57.61 3ith h LEU 301 Cb 1.44 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.27 3ith h LEU 301 CO 0.02 1.76 0.00 -0.62 -0.34 0.00 0.00 178.44 179.25 3ith n GLU 302 N -3.66 0.00 -0.29 1.25 1.02 0.78 0.12 120.64 119.86 3ith n GLU 302 Ca -0.24 0.47 0.34 0.00 -0.02 0.00 0.00 57.16 57.71 3ith n GLU 302 Cb 1.05 -1.46 0.71 0.00 -0.02 0.00 0.00 31.44 31.71 3ith n GLU 302 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3ith h LEU 303 N 0.00 0.00 -0.00 -4.62 6.46 -1.73 1.26 115.31 116.69 3ith h LEU 303 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3ith h LEU 303 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 3ith h LEU 303 CO 0.00 0.00 -0.97 0.00 -0.62 0.00 0.00 178.44 176.85 3ith n ALA 304 N -2.63 4.68 -0.04 1.25 0.00 -1.18 -3.58 120.51 119.01 3ith n ALA 304 Ca 0.25 -0.58 -0.21 0.00 0.00 0.00 0.00 53.44 52.90 3ith n ALA 304 Cb 1.30 -0.75 -0.13 0.00 0.00 0.00 0.00 19.45 19.87 3ith n ALA 304 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3ith h GLU 305 N 0.00 0.13 -0.22 0.00 4.57 0.92 -3.37 114.58 116.62 3ith h GLU 305 Ca 0.00 -0.23 0.06 0.00 -1.18 0.00 0.00 59.36 58.01 3ith h GLU 305 Cb 0.48 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.15 3ith h GLU 305 CO 0.00 1.11 0.16 -0.91 -1.18 0.00 0.00 179.01 178.19 3ith h ASN 306 N -0.58 0.00 -0.28 1.04 -0.26 -0.11 -2.25 115.58 113.14 3ith h ASN 306 Ca -0.30 0.00 0.02 0.00 -0.56 0.00 0.00 56.30 55.45 3ith h ASN 306 Cb 1.55 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.79 3ith h ASN 306 CO -0.04 0.00 0.15 0.03 -1.06 0.00 0.00 177.43 176.51 3ith h ARG 307 N 0.00 0.30 0.00 0.81 3.08 -1.71 0.19 114.38 117.05 3ith h ARG 307 Ca 0.11 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 3ith h ARG 307 Cb 0.43 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 3ith h ARG 307 CO -0.00 0.20 -0.09 1.49 -1.07 0.00 0.00 179.97 180.50 3ith h GLU 308 N 0.31 0.00 0.00 0.04 4.57 -1.58 -0.88 114.58 117.04 3ith h GLU 308 Ca 0.12 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 3ith h GLU 308 Cb 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 3ith h GLU 308 CO -0.07 0.09 0.00 -0.89 -1.18 0.00 0.00 179.01 176.96 3ith n ILE 309 N -4.28 0.00 0.29 2.32 5.41 -0.96 -3.87 119.36 118.26 3ith n ILE 309 Ca -0.03 0.92 0.00 0.00 1.00 0.00 0.00 62.75 64.64 3ith n ILE 309 Cb 0.17 -1.92 0.00 0.00 -0.71 0.00 0.00 39.64 37.18 3ith n ILE 309 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3ith n LEU 310 N -2.00 0.03 -0.02 1.39 4.77 0.63 -3.32 117.00 118.48 3ith n LEU 310 Ca 0.00 -0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 55.84 3ith n LEU 310 Cb 0.00 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 40.98 3ith n LEU 310 CO 0.00 0.01 0.64 0.50 -1.33 0.00 0.00 177.39 177.20 3ith h LYS 311 N 0.14 0.04 -6.33 3.23 3.64 -1.27 -2.78 116.57 113.23 3ith h LYS 311 Ca 0.00 -0.02 -0.60 0.00 -1.27 0.00 0.00 60.65 58.76 3ith h LYS 311 Cb 0.01 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 31.72 3ith h LYS 311 CO 0.00 0.51 -0.66 -1.21 -2.27 0.00 0.00 179.45 175.82 3ith s GLU 312 N -4.30 2.39 1.20 1.90 2.02 -1.21 -4.65 118.70 116.04 3ith s GLU 312 Ca -0.16 -1.14 -0.17 0.00 0.02 0.00 0.00 54.97 53.52 3ith s GLU 312 Cb 0.02 -2.33 0.23 0.00 0.10 0.00 0.00 34.13 32.15 3ith s GLU 312 CO 0.68 0.44 0.55 -0.35 0.02 0.00 0.00 175.26 176.61 3ith n PRO 313 N -0.21 -2.62 -3.73 0.39 -0.04 -1.26 -4.61 135.00 122.93 3ith n PRO 313 Ca -0.09 -0.75 -0.14 0.00 -0.04 0.00 0.00 63.50 62.48 3ith n PRO 313 Cb 0.56 -1.88 -0.14 0.00 -0.04 0.00 0.00 33.50 31.99 3ith n PRO 313 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3ith s VAL 314 N -2.26 -0.08 0.23 0.52 1.01 -1.10 -4.97 120.40 113.75 3ith s VAL 314 Ca 0.61 0.19 0.10 0.00 0.00 0.00 0.00 61.98 62.88 3ith s VAL 314 Cb -0.17 -0.29 -0.05 0.00 0.00 0.00 0.00 36.38 35.88 3ith s VAL 314 CO 0.61 0.08 -0.19 -1.00 0.00 0.00 0.00 175.10 174.61 3ith s HIS 315 N 1.35 2.03 -0.04 5.22 3.76 -1.26 -1.57 115.29 124.78 3ith s HIS 315 Ca -0.08 -0.43 -0.31 0.00 -0.15 0.00 0.00 55.06 54.09 3ith s HIS 315 Cb -0.11 -0.93 0.12 0.00 1.11 0.00 0.00 32.58 32.76 3ith s HIS 315 CO -0.07 0.51 1.23 0.20 -0.85 0.00 0.00 174.74 175.77 3ith s GLY 316 N -3.19 -0.37 0.68 -2.22 0.00 -1.15 -4.89 107.32 96.18 3ith s GLY 316 Ca 0.24 0.88 0.03 0.00 0.00 0.00 0.00 44.72 45.86 3ith s GLY 316 CO 0.10 0.22 0.94 0.14 0.00 0.00 0.00 173.10 174.50 3ith s VAL 317 N -2.51 2.10 0.66 1.40 1.01 -0.68 -2.32 120.40 120.05 3ith s VAL 317 Ca 0.13 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.43 3ith s VAL 317 Cb 0.03 -2.37 0.11 0.00 0.00 0.00 0.00 36.38 34.15 3ith s VAL 317 CO -0.04 0.00 0.91 -0.31 0.00 0.00 0.00 175.10 175.66 3ith s TYR 318 N -3.01 1.33 -0.19 5.22 2.02 -1.26 -4.50 117.35 116.96 3ith s TYR 318 Ca 0.65 -0.56 -0.09 0.00 -0.37 0.00 0.00 57.07 56.70 3ith s TYR 318 Cb -0.05 -2.57 -0.05 0.00 -0.40 0.00 0.00 41.96 38.90 3ith s TYR 318 CO 0.43 -1.49 0.11 -0.47 -1.57 0.00 0.00 175.55 172.56 3ith s TYR 319 N -2.92 3.38 -0.45 2.71 5.04 -0.80 -4.95 117.35 119.37 3ith s TYR 319 Ca 0.65 0.28 -0.02 0.00 -2.44 0.00 0.00 57.07 55.54 3ith s TYR 319 Cb -0.05 -2.11 0.12 0.00 0.35 0.00 0.00 41.96 40.27 3ith s TYR 319 CO 0.42 0.30 0.25 0.34 -1.34 0.00 0.00 175.55 175.52 3ith s ASP 320 N 0.22 5.20 0.00 4.32 2.15 -1.26 -4.20 116.67 123.10 3ith s ASP 320 Ca 0.07 -2.24 0.00 0.00 0.43 0.00 0.00 52.55 50.81 3ith s ASP 320 Cb -0.11 -1.82 0.00 0.00 -0.30 0.00 0.00 42.92 40.69 3ith s ASP 320 CO -0.01 -0.49 0.17 -0.81 -0.17 0.00 0.00 175.17 173.86 3ith n PRO 321 N 4.30 0.21 0.00 4.34 -0.04 -1.26 -1.61 135.00 140.93 3ith n PRO 321 Ca 0.00 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.52 3ith n PRO 321 Cb 0.40 -1.04 -0.07 0.00 -0.04 0.00 0.00 33.50 32.75 3ith n PRO 321 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3ith n SER 322 N -0.15 0.59 -4.39 3.54 2.88 -1.26 -4.96 113.62 109.87 3ith n SER 322 Ca 0.00 -0.79 -0.20 0.00 -1.33 0.00 0.00 58.87 56.54 3ith n SER 322 Cb 0.02 1.00 -0.10 0.00 -0.75 0.00 0.00 64.21 64.38 3ith n SER 322 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3ith s LYS 323 N -2.17 1.45 0.94 -1.46 1.02 -0.64 -5.14 119.74 113.75 3ith s LYS 323 Ca 0.05 -1.66 -0.12 0.00 0.02 0.00 0.00 55.97 54.26 3ith s LYS 323 Cb 0.09 -1.30 0.15 0.00 -0.52 0.00 0.00 37.83 36.25 3ith s LYS 323 CO 0.51 0.21 1.09 -0.51 -0.92 0.00 0.00 175.35 175.72 3ith s ASP 324 N -3.39 3.07 -0.25 2.83 1.11 -1.26 -4.94 116.67 113.84 3ith s ASP 324 Ca 0.25 1.53 -0.08 0.00 0.18 0.00 0.00 52.55 54.43 3ith s ASP 324 Cb -0.01 -2.19 -0.03 0.00 1.07 0.00 0.00 42.92 41.75 3ith s ASP 324 CO 0.10 -2.90 0.10 -0.76 1.18 0.00 0.00 175.17 172.89 3ith s LEU 325 N -6.39 3.61 -0.10 1.23 1.43 -1.26 -4.61 118.68 112.59 3ith s LEU 325 Ca 0.64 -0.14 -0.03 0.00 -1.03 0.00 0.00 54.13 53.57 3ith s LEU 325 Cb -0.19 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 3ith s LEU 325 CO 0.58 -0.03 0.04 -0.63 0.23 0.00 0.00 176.35 176.54 3ith s ILE 326 N 1.60 4.64 -0.04 -0.59 1.01 0.07 -0.78 121.20 127.10 3ith s ILE 326 Ca 0.06 -0.12 0.04 0.00 0.00 0.00 0.00 60.65 60.64 3ith s ILE 326 Cb -0.15 -2.98 -0.00 0.00 0.01 0.00 0.00 42.46 39.34 3ith s ILE 326 CO 0.05 0.60 -0.18 0.00 0.00 0.00 0.00 174.94 175.42 3ith s ALA 327 N -0.84 1.57 -0.06 9.38 0.00 0.28 -0.79 121.76 131.30 3ith s ALA 327 Ca 0.13 -0.71 0.03 0.00 0.00 0.00 0.00 51.96 51.41 3ith s ALA 327 Cb -0.12 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.49 3ith s ALA 327 CO 0.03 0.28 -0.15 -2.00 0.00 0.00 0.00 175.76 173.92 3ith s GLU 328 N 0.04 1.80 0.20 0.00 2.12 0.58 -0.49 118.70 122.95 3ith s GLU 328 Ca -0.04 -0.52 0.11 0.00 0.36 0.00 0.00 54.97 54.87 3ith s GLU 328 Cb -0.12 -1.50 -0.04 0.00 0.26 0.00 0.00 34.13 32.73 3ith s GLU 328 CO 0.02 0.13 -0.19 0.42 -0.54 0.00 0.00 175.26 175.11 3ith s ILE 329 N 0.36 2.65 -0.02 -3.70 1.01 -1.14 0.48 121.20 120.85 3ith s ILE 329 Ca -0.10 -1.95 -0.08 0.00 0.00 0.00 0.00 60.65 58.52 3ith s ILE 329 Cb -0.14 -2.30 0.01 0.00 0.01 0.00 0.00 42.46 40.04 3ith s ILE 329 CO 0.03 -0.15 0.17 -1.10 0.00 0.00 0.00 174.94 173.90 3ith s GLN 330 N -2.83 0.45 -0.20 2.79 1.11 0.35 -4.38 119.66 116.96 3ith s GLN 330 Ca 0.23 -0.21 -0.29 0.00 0.01 0.00 0.00 55.36 55.10 3ith s GLN 330 Cb -0.08 0.19 0.00 0.00 -1.01 0.00 0.00 33.01 32.12 3ith s GLN 330 CO 0.12 -0.10 1.05 0.21 0.01 0.00 0.00 175.29 176.58 3ith s LYS 331 N -1.03 4.29 0.00 2.91 2.20 -1.26 -1.60 119.74 125.25 3ith s LYS 331 Ca -0.11 1.40 0.21 0.00 -0.36 0.00 0.00 55.97 57.11 3ith s LYS 331 Cb -0.06 -3.63 0.54 0.00 -1.51 0.00 0.00 37.83 33.18 3ith s LYS 331 CO 0.02 -0.57 1.45 0.94 -0.36 0.00 0.00 175.35 176.82 3ith n GLN 332 N 6.06 2.19 -0.74 4.03 -0.06 -0.71 -4.75 117.38 123.41 3ith n GLN 332 Ca 0.11 -1.81 0.00 0.00 -2.00 0.00 0.00 57.00 53.31 3ith n GLN 332 Cb 0.46 -1.45 0.00 0.00 -4.06 0.00 0.00 30.24 25.19 3ith n GLN 332 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3ith n GLY 333 N 1.35 -1.37 2.41 1.69 0.00 -1.25 -4.85 105.19 103.17 3ith n GLY 333 Ca 0.18 -0.59 -0.03 0.00 0.00 0.00 0.00 46.02 45.58 3ith n GLY 333 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ith n GLN 334 N 0.40 -3.44 -0.74 1.61 1.13 -1.26 -4.05 117.38 111.03 3ith n GLN 334 Ca 0.00 2.72 0.00 0.00 -1.94 0.00 0.00 57.00 57.78 3ith n GLN 334 Cb 0.00 -4.38 0.00 0.00 0.11 0.00 0.00 30.24 25.97 3ith n GLN 334 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3ith n GLY 335 N 1.10 0.92 3.35 1.08 0.00 -1.26 -4.96 105.19 105.43 3ith n GLY 335 Ca -0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 3ith n GLY 335 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ith s GLN 336 N -0.24 2.82 -0.01 1.61 -1.52 -1.26 -3.18 119.66 117.88 3ith s GLN 336 Ca 0.00 -0.78 0.00 0.00 -1.95 0.00 0.00 55.36 52.63 3ith s GLN 336 Cb 0.00 -2.37 0.01 0.00 -0.22 0.00 0.00 33.01 30.44 3ith s GLN 336 CO 0.00 0.38 0.00 -1.58 -0.25 0.00 0.00 175.29 173.85 3ith s TRP 337 N -0.13 0.10 0.36 0.91 0.52 0.10 -1.74 118.94 119.07 3ith s TRP 337 Ca -0.03 0.03 0.08 0.00 0.02 0.00 0.00 56.10 56.20 3ith s TRP 337 Cb -0.14 -0.15 -0.06 0.00 -1.15 0.00 0.00 33.47 31.98 3ith s TRP 337 CO 0.04 -0.04 0.05 0.95 0.02 0.00 0.00 176.95 177.97 3ith s THR 338 N 0.41 2.49 0.15 2.01 -4.23 -0.63 0.14 115.64 115.99 3ith s THR 338 Ca -0.04 -1.91 -0.23 0.00 -1.18 0.00 0.00 61.69 58.34 3ith s THR 338 Cb -0.05 -2.87 0.07 0.00 1.34 0.00 0.00 72.50 70.98 3ith s THR 338 CO -0.01 -0.13 0.58 -0.72 -0.54 0.00 0.00 174.62 173.80 3ith s TYR 339 N -2.56 -0.51 -0.01 3.99 -0.85 -0.90 -0.50 117.35 116.01 3ith s TYR 339 Ca 0.36 0.31 0.03 0.00 -0.52 0.00 0.00 57.07 57.24 3ith s TYR 339 Cb 0.02 0.53 -0.01 0.00 0.38 0.00 0.00 41.96 42.88 3ith s TYR 339 CO 0.20 -0.83 -0.09 -0.65 -1.52 0.00 0.00 175.55 172.66 3ith s GLN 340 N -3.71 0.69 -0.22 -3.49 1.11 0.18 -3.11 119.66 111.11 3ith s GLN 340 Ca 0.01 -0.31 0.02 0.00 0.01 0.00 0.00 55.36 55.09 3ith s GLN 340 Cb -0.01 -0.67 0.04 0.00 -1.01 0.00 0.00 33.01 31.36 3ith s GLN 340 CO -0.13 0.18 -0.15 0.42 0.01 0.00 0.00 175.29 175.63 3ith s ILE 341 N -0.21 2.18 0.28 1.08 1.01 -0.47 -0.31 121.20 124.76 3ith s ILE 341 Ca 0.03 -1.23 -0.04 0.00 0.00 0.00 0.00 60.65 59.40 3ith s ILE 341 Cb -0.03 -2.09 -0.01 0.00 0.01 0.00 0.00 42.46 40.34 3ith s ILE 341 CO -0.00 0.28 0.38 -0.72 0.00 0.00 0.00 174.94 174.87 3ith s TYR 342 N 1.22 0.93 0.00 3.97 1.13 0.03 -0.03 117.35 124.59 3ith s TYR 342 Ca -0.01 -1.17 0.00 0.00 -1.41 0.00 0.00 57.07 54.48 3ith s TYR 342 Cb -0.16 -0.16 0.00 0.00 -1.10 0.00 0.00 41.96 40.54 3ith s TYR 342 CO -0.09 -0.96 0.00 1.04 -2.51 0.00 0.00 175.55 173.03 3ith n GLN 343 N -0.45 0.00 -4.44 -3.49 6.02 -1.26 -0.75 117.38 113.01 3ith n GLN 343 Ca 0.01 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.66 3ith n GLN 343 Cb 0.63 -0.65 -0.11 0.00 1.02 0.00 0.00 30.24 31.13 3ith n GLN 343 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3ith s GLU 344 N -1.92 3.32 -0.35 -1.09 2.02 -1.26 -4.89 118.70 114.52 3ith s GLU 344 Ca 0.00 -0.50 -0.42 0.00 0.02 0.00 0.00 54.97 54.07 3ith s GLU 344 Cb 0.00 -2.82 -0.17 0.00 0.10 0.00 0.00 34.13 31.25 3ith s GLU 344 CO 0.00 0.44 1.73 -0.35 0.02 0.00 0.00 175.26 177.10 3ith n PRO 345 N 2.93 0.83 -0.04 0.39 -0.04 -1.26 -1.10 135.00 136.70 3ith n PRO 345 Ca -0.18 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 3ith n PRO 345 Cb 0.53 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 32.04 3ith n PRO 345 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3ith n PHE 346 N 5.21 0.00 -3.10 0.54 3.72 -1.26 -4.92 117.46 117.65 3ith n PHE 346 Ca 0.29 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.29 3ith n PHE 346 Cb 0.08 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.61 3ith n PHE 346 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3ith n LYS 347 N -2.00 4.07 -1.67 -1.08 5.02 -0.26 -5.04 118.16 117.20 3ith n LYS 347 Ca 0.00 -4.58 -0.44 0.00 -2.02 0.00 0.00 58.31 51.27 3ith n LYS 347 Cb 0.00 -2.46 -0.02 0.00 -0.02 0.00 0.00 35.03 32.53 3ith n LYS 347 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3ith n ASN 348 N 1.26 2.52 -0.07 4.39 3.02 -1.26 -4.28 115.26 120.84 3ith n ASN 348 Ca 0.27 1.17 -0.09 0.00 -0.03 0.00 0.00 54.58 55.90 3ith n ASN 348 Cb 0.35 -1.43 -0.06 0.00 -0.61 0.00 0.00 39.78 38.03 3ith n ASN 348 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3ith h LEU 349 N 3.22 0.00 -7.68 3.41 3.38 -0.75 -1.81 115.31 115.07 3ith h LEU 349 Ca -0.45 -0.39 -0.17 0.00 0.09 0.00 0.00 57.88 56.96 3ith h LEU 349 Cb 1.29 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.80 3ith h LEU 349 CO 0.68 0.90 -0.54 -0.75 0.09 0.00 0.00 178.44 178.82 3ith s LYS 350 N -2.05 0.29 0.15 1.13 2.20 -0.87 -4.48 119.74 116.11 3ith s LYS 350 Ca -0.14 -0.10 0.05 0.00 -0.36 0.00 0.00 55.97 55.42 3ith s LYS 350 Cb 0.01 0.13 -0.04 0.00 -1.51 0.00 0.00 37.83 36.41 3ith s LYS 350 CO 0.36 -0.06 -0.11 0.95 -0.36 0.00 0.00 175.35 176.13 3ith s THR 351 N -0.60 1.28 0.03 3.43 -4.23 -1.26 -1.37 115.64 112.92 3ith s THR 351 Ca -0.07 -2.02 -0.28 0.00 -1.18 0.00 0.00 61.69 58.14 3ith s THR 351 Cb -0.04 -1.82 0.10 0.00 1.34 0.00 0.00 72.50 72.08 3ith s THR 351 CO 0.01 -0.67 1.22 -0.83 -0.54 0.00 0.00 174.62 173.81 3ith s GLY 352 N -3.06 -0.19 0.06 3.99 0.00 -1.18 -4.82 107.32 102.11 3ith s GLY 352 Ca 0.16 0.21 0.02 0.00 0.00 0.00 0.00 44.72 45.11 3ith s GLY 352 CO 0.02 2.65 -0.06 -1.59 0.00 0.00 0.00 173.10 174.11 3ith s LYS 353 N -2.29 0.63 -0.16 2.90 -2.85 -1.26 -2.13 119.74 114.59 3ith s LYS 353 Ca 0.21 -1.01 -0.01 0.00 -1.00 0.00 0.00 55.97 54.17 3ith s LYS 353 Cb 0.01 -0.18 -0.01 0.00 -2.06 0.00 0.00 37.83 35.59 3ith s LYS 353 CO -0.01 0.00 -0.13 0.71 0.10 0.00 0.00 175.35 176.03 3ith s TYR 354 N -2.47 2.83 -0.53 1.78 2.02 0.38 -4.85 117.35 116.51 3ith s TYR 354 Ca -0.01 -0.93 0.04 0.00 -0.37 0.00 0.00 57.07 55.80 3ith s TYR 354 Cb -0.03 -1.92 0.14 0.00 -0.40 0.00 0.00 41.96 39.75 3ith s TYR 354 CO -0.03 -0.43 0.29 0.00 -1.57 0.00 0.00 175.55 173.81 3ith s ALA 355 N 0.83 3.14 0.00 3.71 0.00 -1.25 0.00 121.76 128.19 3ith s ALA 355 Ca -0.04 -3.22 0.00 0.00 0.00 0.00 0.00 51.96 48.70 3ith s ALA 355 Cb -0.15 -2.10 0.00 0.00 0.00 0.00 0.00 23.12 20.87 3ith s ALA 355 CO 0.00 -2.04 0.00 0.54 0.00 0.00 0.00 175.76 174.27 3ith n ARG 356 N 3.03 0.00 -3.56 0.00 1.74 -1.19 -5.03 116.66 111.64 3ith n ARG 356 Ca 0.08 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.08 3ith n ARG 356 Cb 0.33 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.74 3ith n ARG 356 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ith s MET 357 N 0.75 0.55 0.55 5.56 0.23 -1.26 -4.81 119.30 120.87 3ith s MET 357 Ca 0.00 -0.07 0.35 0.00 -1.03 0.00 0.00 55.69 54.94 3ith s MET 357 Cb 0.00 0.26 1.56 0.00 -1.53 0.00 0.00 34.83 35.12 3ith s MET 357 CO 0.00 -0.21 2.04 -0.09 -2.03 0.00 0.00 175.02 174.73 3ith h ARG 358 N 2.21 0.00 0.00 3.16 2.43 -1.94 -3.48 114.38 116.75 3ith h ARG 358 Ca -0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 3ith h ARG 358 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 3ith h ARG 358 CO 0.28 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 179.15 3ith n GLY 359 N -0.23 0.05 0.20 2.80 0.00 -1.26 -4.92 105.19 101.83 3ith n GLY 359 Ca -0.00 -0.72 -0.08 0.00 0.00 0.00 0.00 46.02 45.21 3ith n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ith h ALA 360 N 0.00 0.57 -3.28 4.61 0.00 -1.97 -3.42 119.26 115.77 3ith h ALA 360 Ca 0.00 -0.12 -0.50 0.00 0.00 0.00 0.00 54.91 54.29 3ith h ALA 360 Cb 0.00 -0.17 -0.38 0.00 0.00 0.00 0.00 17.79 17.23 3ith h ALA 360 CO 0.00 0.14 -0.78 -1.01 0.00 0.00 0.00 179.25 177.60 3ith s HIS 361 N -5.68 1.15 0.35 0.00 3.76 -1.26 -3.04 115.29 110.57 3ith s HIS 361 Ca -0.13 -0.70 0.04 0.00 -0.15 0.00 0.00 55.06 54.12 3ith s HIS 361 Cb 0.11 -1.06 -0.06 0.00 1.11 0.00 0.00 32.58 32.68 3ith s HIS 361 CO 0.75 -0.52 0.06 -0.08 -0.85 0.00 0.00 174.74 174.11 3ith s THR 362 N 1.82 1.19 0.27 1.30 -1.32 -1.20 -4.88 115.64 112.81 3ith s THR 362 Ca 0.02 -2.00 0.03 0.00 -1.21 0.00 0.00 61.69 58.53 3ith s THR 362 Cb -0.15 -2.74 -0.03 0.00 -1.51 0.00 0.00 72.50 68.07 3ith s THR 362 CO -0.07 0.00 0.22 0.54 -2.21 0.00 0.00 174.62 173.10 3ith s ASN 363 N -3.54 0.95 0.22 8.08 2.20 -1.26 -2.43 114.94 119.16 3ith s ASN 363 Ca 0.34 -1.57 -0.08 0.00 -0.94 0.00 0.00 52.86 50.60 3ith s ASN 363 Cb 0.08 0.48 0.19 0.00 -2.00 0.00 0.00 41.25 40.00 3ith s ASN 363 CO 0.15 -0.97 1.85 0.44 -2.94 0.00 0.00 177.10 175.62 3ith h ASP 364 N 2.35 1.07 1.16 3.54 3.32 -1.94 -1.73 116.42 124.19 3ith h ASP 364 Ca -0.30 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 56.63 3ith h ASP 364 Cb 1.24 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.52 3ith h ASP 364 CO 0.44 0.86 -0.09 1.62 -1.72 0.00 0.00 179.24 180.35 3ith h VAL 365 N 1.19 0.20 0.53 -1.35 3.04 -1.95 0.13 116.25 118.04 3ith h VAL 365 Ca 0.30 -0.83 -0.03 0.00 -1.01 0.00 0.00 66.70 65.13 3ith h VAL 365 Cb 0.03 1.70 0.01 0.00 -2.01 0.00 0.00 31.29 31.01 3ith h VAL 365 CO -0.05 0.09 -0.25 0.11 -1.01 0.00 0.00 177.57 176.45 3ith h LYS 366 N 0.00 -0.68 -0.82 4.17 1.57 -1.78 -2.92 116.57 116.11 3ith h LYS 366 Ca -0.00 0.05 0.08 0.00 -1.87 0.00 0.00 60.65 58.91 3ith h LYS 366 Cb 0.69 0.15 -0.05 0.00 0.08 0.00 0.00 32.23 33.10 3ith h LYS 366 CO 0.01 -0.41 0.53 1.96 -0.57 0.00 0.00 179.45 180.98 3ith h GLN 367 N -1.12 0.81 -0.47 3.15 4.20 -0.84 0.01 115.11 120.85 3ith h GLN 367 Ca -0.07 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.62 3ith h GLN 367 Cb 0.59 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 28.15 3ith h GLN 367 CO 0.12 0.53 0.25 1.25 -0.67 0.00 0.00 178.83 180.31 3ith h LEU 368 N 0.83 0.38 -0.47 1.46 5.85 -0.84 0.16 115.31 122.69 3ith h LEU 368 Ca 0.37 0.02 0.08 0.00 0.84 0.00 0.00 57.88 59.18 3ith h LEU 368 Cb 0.33 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 3ith h LEU 368 CO -0.14 0.27 0.10 0.74 -0.34 0.00 0.00 178.44 179.07 3ith h THR 369 N 0.50 0.75 -0.60 1.05 2.02 -0.80 -0.02 112.91 115.81 3ith h THR 369 Ca 0.20 -0.08 -0.05 0.00 0.77 0.00 0.00 66.41 67.25 3ith h THR 369 Cb 0.08 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 3ith h THR 369 CO -0.12 0.04 0.19 -0.33 0.37 0.00 0.00 175.52 175.67 3ith h GLU 370 N 0.23 0.93 0.03 6.66 5.08 -0.88 0.12 114.58 126.76 3ith h GLU 370 Ca 0.23 -0.20 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 3ith h GLU 370 Cb 0.30 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 3ith h GLU 370 CO -0.30 0.83 -0.39 0.00 -1.00 0.00 0.00 179.01 178.15 3ith h ALA 371 N 1.06 -0.62 -0.84 3.43 0.00 0.00 0.56 119.26 122.85 3ith h ALA 371 Ca 0.19 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.14 3ith h ALA 371 Cb 0.29 0.67 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 3ith h ALA 371 CO -0.01 -0.92 0.55 0.28 0.00 0.00 0.00 179.25 179.15 3ith h VAL 372 N -0.56 1.00 -0.47 0.00 2.07 -0.80 0.05 116.25 117.53 3ith h VAL 372 Ca 0.04 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.21 3ith h VAL 372 Cb 0.63 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3ith h VAL 372 CO -0.28 0.16 0.08 1.56 0.02 0.00 0.00 177.57 179.11 3ith h GLN 373 N 0.87 0.77 -0.27 1.57 4.20 0.47 -1.79 115.11 120.93 3ith h GLN 373 Ca 0.38 -0.20 -0.18 0.00 0.06 0.00 0.00 58.65 58.71 3ith h GLN 373 Cb 0.33 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 3ith h GLN 373 CO -0.15 0.78 -0.54 -0.22 -0.67 0.00 0.00 178.83 178.04 3ith h LYS 374 N 0.65 0.80 -0.39 1.46 3.11 0.18 -2.65 116.57 119.73 3ith h LYS 374 Ca 0.14 -0.50 -0.08 0.00 -2.81 0.00 0.00 60.65 57.41 3ith h LYS 374 Cb 0.38 0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.65 3ith h LYS 374 CO 0.01 1.13 -0.09 0.82 -2.81 0.00 0.00 179.45 178.51 3ith h ILE 375 N 0.61 1.24 -0.23 2.00 2.04 -1.10 -2.27 117.51 119.81 3ith h ILE 375 Ca 0.02 -1.07 -0.05 0.00 1.00 0.00 0.00 64.86 64.76 3ith h ILE 375 Cb 1.13 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 3ith h ILE 375 CO 0.12 0.36 -0.08 0.74 0.00 0.00 0.00 178.15 179.29 3ith h THR 376 N 0.61 1.19 0.00 -0.27 2.02 -1.07 -1.31 112.91 114.08 3ith h THR 376 Ca 0.11 -0.79 -0.20 0.00 0.77 0.00 0.00 66.41 66.30 3ith h THR 376 Cb 0.51 1.10 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 3ith h THR 376 CO 0.03 0.26 -0.98 0.74 0.37 0.00 0.00 175.52 175.94 3ith h THR 377 N 0.35 1.53 0.39 3.16 2.02 -1.33 -2.47 112.91 116.55 3ith h THR 377 Ca 0.07 -3.20 -0.02 0.00 0.77 0.00 0.00 66.41 64.04 3ith h THR 377 Cb 0.36 2.75 0.00 0.00 -1.74 0.00 0.00 68.15 69.53 3ith h THR 377 CO 0.02 0.87 -0.19 -0.33 0.37 0.00 0.00 175.52 176.26 3ith h GLU 378 N 0.00 -0.50 -1.01 6.66 5.08 -1.14 -2.66 114.58 121.01 3ith h GLU 378 Ca -0.03 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.48 3ith h GLU 378 Cb 1.73 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 31.01 3ith h GLU 378 CO 0.12 -0.25 0.64 0.77 -1.00 0.00 0.00 179.01 179.29 3ith h SER 379 N -0.67 0.95 -0.53 1.42 0.02 -1.31 -0.55 113.55 112.88 3ith h SER 379 Ca -0.05 0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 3ith h SER 379 Cb 0.48 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 3ith h SER 379 CO 0.09 0.52 0.15 0.40 -1.14 0.00 0.00 176.83 176.85 3ith h ILE 380 N 1.03 1.24 0.54 3.27 2.04 -1.39 -1.70 117.51 122.54 3ith h ILE 380 Ca 0.49 -0.82 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 3ith h ILE 380 Cb 0.44 0.76 0.01 0.00 -0.74 0.00 0.00 36.82 37.29 3ith h ILE 380 CO -0.25 0.30 -0.26 0.58 0.00 0.00 0.00 178.15 178.52 3ith h VAL 381 N 0.74 0.44 -0.33 1.67 2.07 -0.79 0.28 116.25 120.33 3ith h VAL 381 Ca 0.17 -0.14 -0.14 0.00 0.82 0.00 0.00 66.70 67.40 3ith h VAL 381 Cb 0.31 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 3ith h VAL 381 CO -0.00 0.02 -0.35 0.40 0.02 0.00 0.00 177.57 177.66 3ith h ILE 382 N -0.82 1.29 0.00 4.57 2.04 -1.25 -3.38 117.51 119.95 3ith h ILE 382 Ca -0.07 -1.52 0.00 0.00 1.00 0.00 0.00 64.86 64.26 3ith h ILE 382 Cb 0.60 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 3ith h ILE 382 CO 0.12 0.50 -0.88 0.79 0.00 0.00 0.00 178.15 178.68 3ith n TRP 383 N -4.15 0.00 -1.52 1.37 8.01 -0.69 -4.67 117.44 115.78 3ith n TRP 383 Ca -0.03 0.00 -0.01 0.00 -1.31 0.00 0.00 57.50 56.15 3ith n TRP 383 Cb 0.52 -0.03 -0.00 0.00 -2.01 0.00 0.00 31.31 29.78 3ith n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3ith n GLY 384 N 2.11 0.39 3.63 6.99 0.00 0.97 -5.01 105.19 114.27 3ith n GLY 384 Ca -0.00 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 3ith n GLY 384 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ith s LYS 385 N -3.06 1.55 0.14 1.61 -2.85 -1.23 -4.93 119.74 110.97 3ith s LYS 385 Ca 0.00 -1.09 -0.00 0.00 -1.00 0.00 0.00 55.97 53.88 3ith s LYS 385 Cb 0.00 0.51 -0.04 0.00 -2.06 0.00 0.00 37.83 36.24 3ith s LYS 385 CO 0.00 -0.66 0.31 0.95 0.10 0.00 0.00 175.35 176.04 3ith s THR 386 N -3.96 5.29 0.23 3.79 -4.23 -1.26 -3.50 115.64 112.00 3ith s THR 386 Ca 0.16 -0.40 -0.05 0.00 -1.18 0.00 0.00 61.69 60.22 3ith s THR 386 Cb -0.02 -3.69 -0.05 0.00 1.34 0.00 0.00 72.50 70.08 3ith s THR 386 CO 0.05 -0.03 0.48 -2.16 -0.54 0.00 0.00 174.62 172.43 3ith s PRO 387 N -2.97 3.63 0.26 3.99 0.04 -1.26 -4.73 135.00 133.96 3ith s PRO 387 Ca 0.37 -0.05 -0.30 0.00 0.04 0.00 0.00 61.00 61.06 3ith s PRO 387 Cb -0.12 -2.73 -0.09 0.00 0.04 0.00 0.00 34.50 31.60 3ith s PRO 387 CO 0.28 0.31 1.16 0.15 0.04 0.00 0.00 177.00 178.94 3ith s LYS 388 N -3.24 4.56 0.00 4.56 -0.14 0.04 -4.72 119.74 120.79 3ith s LYS 388 Ca 0.43 1.88 0.00 0.00 -1.36 0.00 0.00 55.97 56.92 3ith s LYS 388 Cb -0.11 -3.19 -0.04 0.00 -1.68 0.00 0.00 37.83 32.81 3ith s LYS 388 CO 0.28 0.07 0.07 -0.06 -0.76 0.00 0.00 175.35 174.94 3ith s PHE 389 N -0.83 3.24 -0.26 3.18 0.08 0.54 -0.56 117.98 123.37 3ith s PHE 389 Ca 0.47 0.17 -0.00 0.00 0.12 0.00 0.00 56.93 57.70 3ith s PHE 389 Cb -0.33 -1.72 0.04 0.00 -0.57 0.00 0.00 43.02 40.44 3ith s PHE 389 CO 0.41 0.53 -0.06 0.15 -0.10 0.00 0.00 175.22 176.15 3ith s LYS 390 N -1.75 2.54 0.08 0.44 -0.14 0.36 -0.58 119.74 120.69 3ith s LYS 390 Ca 0.23 -1.17 0.09 0.00 -1.36 0.00 0.00 55.97 53.76 3ith s LYS 390 Cb -0.12 -3.00 -0.03 0.00 -1.68 0.00 0.00 37.83 33.00 3ith s LYS 390 CO 0.14 -0.51 -0.24 -0.51 -0.76 0.00 0.00 175.35 173.47 3ith s LEU 391 N 1.24 2.36 -0.35 3.17 1.43 -0.85 -2.87 118.68 122.80 3ith s LEU 391 Ca -0.04 -0.61 -0.05 0.00 -1.03 0.00 0.00 54.13 52.40 3ith s LEU 391 Cb -0.18 -1.34 -0.10 0.00 0.03 0.00 0.00 46.19 44.60 3ith s LEU 391 CO -0.04 0.22 3.16 -0.81 0.23 0.00 0.00 176.35 179.11 3ith n PRO 392 N 1.34 2.40 -3.72 1.29 -0.04 -1.26 -1.28 135.00 133.73 3ith n PRO 392 Ca -0.17 -1.77 -0.16 0.00 -0.04 0.00 0.00 63.50 61.36 3ith n PRO 392 Cb 0.52 -2.14 -0.16 0.00 -0.04 0.00 0.00 33.50 31.69 3ith n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3ith s ILE 393 N -0.45 -0.12 0.61 0.52 2.07 -1.26 -1.19 121.20 121.38 3ith s ILE 393 Ca 0.63 0.28 -0.19 0.00 -1.41 0.00 0.00 60.65 59.96 3ith s ILE 393 Cb 0.33 -0.20 -0.03 0.00 0.13 0.00 0.00 42.46 42.69 3ith s ILE 393 CO -0.10 0.11 1.23 1.67 -1.91 0.00 0.00 174.94 175.94 3ith n GLN 394 N 4.67 1.20 0.32 3.50 -0.06 -1.26 -4.75 117.38 121.00 3ith n GLN 394 Ca -0.17 0.46 -0.14 0.00 -2.00 0.00 0.00 57.00 55.15 3ith n GLN 394 Cb 0.50 -2.45 -0.07 0.00 -4.06 0.00 0.00 30.24 24.17 3ith n GLN 394 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 3ith h LYS 395 N 0.74 -0.83 -0.96 3.69 1.79 -1.99 -2.86 116.57 116.15 3ith h LYS 395 Ca -0.50 0.06 0.15 0.00 -2.18 0.00 0.00 60.65 58.18 3ith h LYS 395 Cb 1.34 0.19 -0.16 0.00 -1.58 0.00 0.00 32.23 32.02 3ith h LYS 395 CO 0.53 -0.56 -0.37 0.93 -1.08 0.00 0.00 179.45 178.91 3ith h GLU 396 N -0.87 -0.01 -1.04 3.15 3.07 -1.98 0.49 114.58 117.38 3ith h GLU 396 Ca -0.08 0.00 0.27 0.00 -0.50 0.00 0.00 59.36 59.05 3ith h GLU 396 Cb 0.69 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 28.50 3ith h GLU 396 CO 0.09 -0.01 0.66 1.15 -1.40 0.00 0.00 179.01 179.51 3ith h THR 397 N -0.01 0.52 0.00 1.13 2.02 -1.90 0.33 112.91 114.99 3ith h THR 397 Ca 0.35 -0.14 -0.18 0.00 0.77 0.00 0.00 66.41 67.21 3ith h THR 397 Cb 0.61 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 3ith h THR 397 CO -0.97 0.07 -0.87 -0.25 0.37 0.00 0.00 175.52 173.88 3ith h TRP 398 N 0.41 0.00 0.77 3.16 2.91 0.14 -3.07 115.95 120.27 3ith h TRP 398 Ca 0.60 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 60.58 3ith h TRP 398 Cb 1.49 0.00 0.01 0.00 -0.51 0.00 0.00 29.16 30.15 3ith h TRP 398 CO -0.00 0.87 -0.37 0.93 -1.03 0.00 0.00 178.44 178.83 3ith h GLU 399 N 0.00 -1.00 0.00 2.65 4.39 0.95 -2.11 114.58 119.46 3ith h GLU 399 Ca -0.01 0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.72 3ith h GLU 399 Cb 1.56 0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 30.43 3ith h GLU 399 CO 0.11 -0.65 -0.19 1.79 -1.16 0.00 0.00 179.01 178.91 3ith h THR 400 N -1.13 0.96 0.34 1.13 1.35 -1.43 -2.00 112.91 112.13 3ith h THR 400 Ca -0.11 -0.71 -0.02 0.00 -0.55 0.00 0.00 66.41 65.03 3ith h THR 400 Cb 0.81 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 3ith h THR 400 CO 0.17 0.19 -0.16 -0.25 -0.25 0.00 0.00 175.52 175.22 3ith h TRP 401 N 0.00 -0.42 0.00 4.73 2.91 -1.42 -0.18 115.95 121.56 3ith h TRP 401 Ca -0.00 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 59.99 3ith h TRP 401 Cb 0.38 0.14 -0.00 0.00 -0.51 0.00 0.00 29.16 29.17 3ith h TRP 401 CO 0.00 -0.26 -0.10 0.11 -1.03 0.00 0.00 178.44 177.16 3ith h TRP 402 N -0.78 0.00 0.00 2.65 -0.00 -1.37 -0.57 115.95 115.88 3ith h TRP 402 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.84 3ith h TRP 402 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.51 3ith h TRP 402 CO 0.04 0.10 0.00 2.41 -0.00 0.00 0.00 178.44 180.99 3ith n THR 403 N -4.10 0.00 1.18 0.12 -1.04 -0.75 -3.56 114.28 106.11 3ith n THR 403 Ca -0.03 1.50 0.00 0.00 -2.04 0.00 0.00 64.05 63.48 3ith n THR 403 Cb 0.18 -2.45 0.00 0.00 -1.82 0.00 0.00 70.33 66.24 3ith n THR 403 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3ith n GLU 404 N -2.09 0.69 -4.18 -2.82 1.02 -0.08 -4.76 120.64 108.43 3ith n GLU 404 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.82 3ith n GLU 404 Cb 0.00 -1.11 -0.08 0.00 -0.02 0.00 0.00 31.44 30.24 3ith n GLU 404 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 3ith s TYR 405 N -1.70 3.17 -0.03 -0.32 5.04 -0.29 -5.02 117.35 118.20 3ith s TYR 405 Ca 0.00 0.13 -0.05 0.00 -2.44 0.00 0.00 57.07 54.71 3ith s TYR 405 Cb 0.00 -1.69 -0.28 0.00 0.35 0.00 0.00 41.96 40.34 3ith s TYR 405 CO 0.00 0.51 0.72 0.11 -1.34 0.00 0.00 175.55 175.55 3ith h TRP 406 N 4.12 0.51 -3.99 4.97 5.08 -1.88 -3.46 115.95 121.30 3ith h TRP 406 Ca -0.49 -0.37 -0.45 0.00 1.08 0.00 0.00 58.89 58.66 3ith h TRP 406 Cb 1.18 -0.02 0.15 0.00 -3.00 0.00 0.00 29.16 27.47 3ith h TRP 406 CO 0.62 1.50 0.24 -0.65 -1.28 0.00 0.00 178.44 178.87 3ith s GLN 407 N -2.60 0.54 -0.83 0.12 -0.21 -1.26 -4.98 119.66 110.44 3ith s GLN 407 Ca -0.13 0.33 -0.18 0.00 0.02 0.00 0.00 55.36 55.40 3ith s GLN 407 Cb 0.06 -1.77 0.14 0.00 1.00 0.00 0.00 33.01 32.45 3ith s GLN 407 CO 0.84 -2.62 0.97 0.00 -2.12 0.00 0.00 175.29 172.37 3ith s ALA 408 N -3.13 3.50 0.15 6.09 0.00 -1.26 -5.04 121.76 122.07 3ith s ALA 408 Ca 0.65 -2.72 -0.08 0.00 0.00 0.00 0.00 51.96 49.81 3ith s ALA 408 Cb -0.16 -3.84 -0.06 0.00 0.00 0.00 0.00 23.12 19.06 3ith s ALA 408 CO 0.56 -2.72 0.43 0.99 0.00 0.00 0.00 175.76 175.02 3ith s THR 409 N 2.28 5.07 -0.03 0.00 2.01 -1.26 -5.11 115.64 118.60 3ith s THR 409 Ca 0.25 0.29 -0.30 0.00 0.31 0.00 0.00 61.69 62.25 3ith s THR 409 Cb -0.10 -3.63 0.07 0.00 0.01 0.00 0.00 72.50 68.85 3ith s THR 409 CO -0.05 0.09 0.66 0.86 -0.69 0.00 0.00 174.62 175.48 3ith s TRP 410 N -1.62 -0.63 -0.01 4.92 -0.00 -1.26 -4.99 118.94 115.35 3ith s TRP 410 Ca 0.40 1.04 0.02 0.00 -0.00 0.00 0.00 56.10 57.56 3ith s TRP 410 Cb -0.12 0.41 -0.00 0.00 -0.00 0.00 0.00 33.47 33.75 3ith s TRP 410 CO 0.22 -0.62 -0.07 0.42 -0.00 0.00 0.00 176.95 176.90 3ith s ILE 411 N -1.38 0.54 0.00 5.86 1.01 -1.26 -5.00 121.20 120.97 3ith s ILE 411 Ca -0.10 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.26 3ith s ILE 411 Cb -0.00 -0.45 0.00 0.00 0.01 0.00 0.00 42.46 42.01 3ith s ILE 411 CO 0.08 0.15 0.00 -2.65 0.00 0.00 0.00 174.94 172.52 3ith n PRO 412 N 2.94 3.05 -2.47 2.79 -0.02 -1.26 -4.89 135.00 135.14 3ith n PRO 412 Ca -0.13 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.92 3ith n PRO 412 Cb 0.57 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 34.03 3ith n PRO 412 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3ith s GLU 413 N 0.00 3.64 -0.06 -0.52 0.41 -1.26 -4.97 118.70 115.94 3ith s GLU 413 Ca 0.00 0.74 -0.03 0.00 -0.41 0.00 0.00 54.97 55.28 3ith s GLU 413 Cb 0.00 -3.97 0.04 0.00 -1.78 0.00 0.00 34.13 28.42 3ith s GLU 413 CO 0.00 -1.49 0.13 1.67 -0.49 0.00 0.00 175.26 175.08 3ith s TRP 414 N 4.98 -0.14 0.11 1.61 1.48 -1.25 0.20 118.94 125.93 3ith s TRP 414 Ca 0.55 0.45 0.04 0.00 -1.06 0.00 0.00 56.10 56.08 3ith s TRP 414 Cb -0.10 -0.14 -0.04 0.00 -1.16 0.00 0.00 33.47 32.03 3ith s TRP 414 CO 0.32 -0.17 0.12 -1.83 -4.06 0.00 0.00 176.95 171.33 3ith s GLU 415 N 1.36 2.94 0.65 3.25 -1.05 0.25 -4.94 118.70 121.16 3ith s GLU 415 Ca -0.07 -0.74 -0.17 0.00 -0.15 0.00 0.00 54.97 53.84 3ith s GLU 415 Cb -0.12 -2.72 -0.01 0.00 -0.44 0.00 0.00 34.13 30.84 3ith s GLU 415 CO -0.05 0.53 1.17 0.12 0.95 0.00 0.00 175.26 177.98 3ith s PHE 416 N -1.55 2.40 -0.44 4.83 5.36 -1.26 -2.01 117.98 125.30 3ith s PHE 416 Ca 0.30 1.56 0.05 0.00 -0.96 0.00 0.00 56.93 57.88 3ith s PHE 416 Cb -0.11 -3.35 0.18 0.00 -0.34 0.00 0.00 43.02 39.39 3ith s PHE 416 CO 0.23 -2.08 0.45 1.55 -1.46 0.00 0.00 175.22 173.91 3ith n VAL 417 N -2.15 -0.89 -1.02 3.12 3.14 -0.40 -4.72 118.33 115.41 3ith n VAL 417 Ca 0.12 -2.82 -0.11 0.00 -2.96 0.00 0.00 64.34 58.58 3ith n VAL 417 Cb 0.51 -0.97 -0.04 0.00 -1.06 0.00 0.00 33.84 32.28 3ith n VAL 417 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 3ith n ASN 418 N 2.81 -0.52 -2.38 6.55 2.85 -1.26 -4.53 115.26 118.78 3ith n ASN 418 Ca 0.26 -1.53 -0.04 0.00 -0.11 0.00 0.00 54.58 53.17 3ith n ASN 418 Cb 0.50 -0.61 -0.01 0.00 1.24 0.00 0.00 39.78 40.91 3ith n ASN 418 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 3ith n THR 419 N 5.51 0.00 0.00 -0.44 -2.24 -1.26 -5.06 114.28 110.78 3ith n THR 419 Ca 0.16 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3ith n THR 419 Cb 0.40 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 3ith n THR 419 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3ith n PRO 420 N -0.28 0.00 -3.10 -0.78 -0.02 -1.26 -3.51 135.00 126.04 3ith n PRO 420 Ca -0.02 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.02 3ith n PRO 420 Cb 0.09 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.51 3ith n PRO 420 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3ith s PRO 421 N 0.00 3.20 0.50 0.52 0.05 -1.26 -5.07 135.00 132.94 3ith s PRO 421 Ca 0.00 -0.63 -0.21 0.00 0.05 0.00 0.00 61.00 60.21 3ith s PRO 421 Cb 0.00 -4.04 -0.09 0.00 0.05 0.00 0.00 34.50 30.42 3ith s PRO 421 CO 0.00 -1.18 0.75 1.28 0.05 0.00 0.00 177.00 177.90 3ith n LEU 422 N 6.36 1.65 -4.72 -3.56 4.77 -1.23 -4.69 117.00 115.58 3ith n LEU 422 Ca -0.04 0.87 -0.42 0.00 -0.03 0.00 0.00 56.01 56.40 3ith n LEU 422 Cb 0.47 -1.25 -0.03 0.00 -2.33 0.00 0.00 43.42 40.27 3ith n LEU 422 CO 0.55 -2.36 0.74 -0.69 -1.33 0.00 0.00 177.39 174.30 3ith s VAL 423 N -1.50 4.47 0.03 4.08 1.01 -0.33 -5.03 120.40 123.13 3ith s VAL 423 Ca 0.67 1.86 0.01 0.00 0.00 0.00 0.00 61.98 64.52 3ith s VAL 423 Cb -0.51 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 31.66 3ith s VAL 423 CO 0.54 0.19 -0.04 -0.54 0.00 0.00 0.00 175.10 175.25 3ith s LYS 424 N 0.66 0.40 0.04 2.72 1.02 -1.26 -4.65 119.74 118.67 3ith s LYS 424 Ca 0.52 -0.72 -0.30 0.00 0.02 0.00 0.00 55.97 55.49 3ith s LYS 424 Cb -0.25 0.01 -0.04 0.00 -0.52 0.00 0.00 37.83 37.03 3ith s LYS 424 CO 0.29 -0.03 1.09 -0.51 -0.92 0.00 0.00 175.35 175.27 3ith s LEU 425 N -1.65 4.38 0.00 3.17 1.43 -1.26 -4.69 118.68 120.05 3ith s LEU 425 Ca -0.12 1.85 0.22 0.00 -1.03 0.00 0.00 54.13 55.05 3ith s LEU 425 Cb -0.08 -3.58 0.56 0.00 0.03 0.00 0.00 46.19 43.12 3ith s LEU 425 CO -0.01 -0.35 1.46 0.79 0.23 0.00 0.00 176.35 178.46 3ith n TRP 426 N 3.84 0.36 0.00 0.29 7.02 -1.26 -4.91 117.44 122.77 3ith n TRP 426 Ca 0.07 -0.18 0.00 0.00 -1.02 0.00 0.00 57.50 56.37 3ith n TRP 426 Cb 0.49 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.38 3ith n TRP 426 CO 0.00 0.00 0.00 2.48 -2.02 0.00 0.00 177.69 178.15 3ith n TYR 427 N 0.96 0.00 -4.37 -5.99 4.11 -1.26 -4.44 117.16 106.18 3ith n TYR 427 Ca 0.18 0.00 -0.21 0.00 -0.00 0.00 0.00 57.90 57.87 3ith n TYR 427 Cb 0.48 0.00 -0.16 0.00 -0.00 0.00 0.00 39.34 39.66 3ith n TYR 427 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.86 178.00 3ith s GLN 428 N -2.00 1.07 0.38 -3.48 -2.07 -1.26 -5.02 119.66 107.29 3ith s GLN 428 Ca 0.00 -0.27 -0.25 0.00 -1.82 0.00 0.00 55.36 53.02 3ith s GLN 428 Cb 0.00 -0.98 -0.09 0.00 -1.09 0.00 0.00 33.01 30.85 3ith s GLN 428 CO 0.00 0.04 1.07 -0.51 -1.32 0.00 0.00 175.29 174.57 3ith s LEU 429 N 0.50 4.21 0.60 2.60 1.43 -1.26 -4.70 118.68 122.06 3ith s LEU 429 Ca -0.08 2.11 -0.17 0.00 -1.03 0.00 0.00 54.13 54.96 3ith s LEU 429 Cb -0.12 -4.08 -0.03 0.00 0.03 0.00 0.00 46.19 41.99 3ith s LEU 429 CO 0.01 -0.47 1.13 -1.61 0.23 0.00 0.00 176.35 175.64 3ith s GLU 430 N -2.32 3.04 -0.02 1.70 0.41 -0.66 -4.97 118.70 115.89 3ith s GLU 430 Ca 0.56 1.53 0.20 0.00 -0.41 0.00 0.00 54.97 56.85 3ith s GLU 430 Cb -0.25 -1.97 -0.28 0.00 -1.78 0.00 0.00 34.13 29.86 3ith s GLU 430 CO 0.31 -1.09 0.64 1.63 -0.49 0.00 0.00 175.26 176.26 3ith n LYS 431 N -1.87 0.50 -4.33 1.61 5.02 -1.26 -4.70 118.16 113.13 3ith n LYS 431 Ca 0.11 -0.10 -0.19 0.00 -2.02 0.00 0.00 58.31 56.11 3ith n LYS 431 Cb 0.51 -1.47 -0.15 0.00 -0.02 0.00 0.00 35.03 33.90 3ith n LYS 431 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3ith s GLU 432 N -3.19 0.77 0.45 1.97 0.41 -1.26 -5.13 118.70 112.72 3ith s GLU 432 Ca -0.01 -0.28 -0.21 0.00 -0.41 0.00 0.00 54.97 54.07 3ith s GLU 432 Cb 0.14 -0.74 -0.13 0.00 -1.78 0.00 0.00 34.13 31.62 3ith s GLU 432 CO 0.85 0.13 0.38 -0.35 -0.49 0.00 0.00 175.26 175.77 3ith n PRO 433 N 3.13 0.38 -3.37 0.39 -0.04 -1.26 -4.89 135.00 129.33 3ith n PRO 433 Ca -0.16 0.14 -0.44 0.00 -0.04 0.00 0.00 63.50 63.00 3ith n PRO 433 Cb 0.56 -1.38 -0.08 0.00 -0.04 0.00 0.00 33.50 32.55 3ith n PRO 433 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3ith s ILE 434 N -1.62 5.20 0.17 0.52 1.01 -1.26 -5.03 121.20 120.19 3ith s ILE 434 Ca 0.63 -0.91 -0.33 0.00 0.00 0.00 0.00 60.65 60.03 3ith s ILE 434 Cb -0.57 -4.11 -0.14 0.00 0.01 0.00 0.00 42.46 37.65 3ith s ILE 434 CO 0.59 -0.55 1.56 0.52 0.00 0.00 0.00 174.94 177.05 3ith n VAL 435 N 5.25 0.13 -1.07 2.92 0.31 -1.26 -1.50 118.33 123.11 3ith n VAL 435 Ca -0.11 -0.03 -0.02 0.00 -0.01 0.00 0.00 64.34 64.16 3ith n VAL 435 Cb 0.44 -1.54 -0.01 0.00 -0.91 0.00 0.00 33.84 31.83 3ith n VAL 435 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ith n GLY 436 N 3.25 0.51 3.91 2.92 0.00 -1.26 -5.00 105.19 109.52 3ith n GLY 436 Ca 0.16 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 3ith n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ith s ALA 437 N -1.82 3.89 0.06 4.61 0.00 -0.56 -5.05 121.76 122.90 3ith s ALA 437 Ca 0.00 -0.69 -0.31 0.00 0.00 0.00 0.00 51.96 50.97 3ith s ALA 437 Cb 0.00 -1.99 -0.06 0.00 0.00 0.00 0.00 23.12 21.07 3ith s ALA 437 CO 0.00 0.74 1.32 -2.00 0.00 0.00 0.00 175.76 175.82 3ith s GLU 438 N -2.51 4.35 -0.35 0.00 2.12 -1.26 -4.68 118.70 116.37 3ith s GLU 438 Ca 0.37 1.93 -0.19 0.00 0.36 0.00 0.00 54.97 57.44 3ith s GLU 438 Cb -0.13 -3.37 -0.00 0.00 0.26 0.00 0.00 34.13 30.90 3ith s GLU 438 CO 0.25 -0.41 0.57 0.99 -0.54 0.00 0.00 175.26 176.12 3ith s THR 439 N 1.43 4.96 -0.27 -1.70 2.01 -1.26 -2.01 115.64 118.80 3ith s THR 439 Ca 0.62 0.45 -0.15 0.00 0.31 0.00 0.00 61.69 62.93 3ith s THR 439 Cb -0.33 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 3ith s THR 439 CO 0.29 -0.26 0.36 -0.36 -0.69 0.00 0.00 174.62 173.95 3ith s PHE 440 N 2.54 3.24 -0.51 4.92 0.40 0.80 -2.76 117.98 126.61 3ith s PHE 440 Ca 0.21 0.37 -0.16 0.00 -0.60 0.00 0.00 56.93 56.75 3ith s PHE 440 Cb -0.15 -2.56 0.10 0.00 0.51 0.00 0.00 43.02 40.91 3ith s PHE 440 CO 0.14 -0.23 0.46 0.71 0.70 0.00 0.00 175.22 176.99 3ith s TYR 441 N 2.05 3.24 0.46 0.36 1.51 0.23 -0.89 117.35 124.30 3ith s TYR 441 Ca 0.14 -1.08 0.03 0.00 -1.01 0.00 0.00 57.07 55.15 3ith s TYR 441 Cb -0.16 -3.49 0.01 0.00 -0.11 0.00 0.00 41.96 38.21 3ith s TYR 441 CO 0.10 -0.92 0.66 0.14 -1.11 0.00 0.00 175.55 174.42 3ith s VAL 442 N 1.68 3.45 0.00 0.71 -7.23 -0.87 -1.25 120.40 116.89 3ith s VAL 442 Ca 0.04 -0.70 0.00 0.00 -1.81 0.00 0.00 61.98 59.51 3ith s VAL 442 Cb -0.27 -3.25 0.00 0.00 0.56 0.00 0.00 36.38 33.42 3ith s VAL 442 CO 0.05 -0.15 0.00 -0.67 -0.31 0.00 0.00 175.10 174.02 3ith n ASP 443 N -2.06 0.00 -3.90 4.85 -0.08 -0.87 -4.54 116.55 109.96 3ith n ASP 443 Ca 0.04 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.23 3ith n ASP 443 Cb 0.59 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.99 3ith n ASP 443 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 3ith s GLY 444 N 0.00 0.31 0.00 0.27 0.00 -1.26 -1.55 107.32 105.09 3ith s GLY 444 Ca 0.00 -0.68 -0.28 0.00 0.00 0.00 0.00 44.72 43.77 3ith s GLY 444 CO 0.00 -0.62 0.78 0.00 0.00 0.00 0.00 173.10 173.26 3ith s ALA 445 N -3.95 -1.77 0.01 3.20 0.00 -0.52 -4.78 121.76 113.96 3ith s ALA 445 Ca 0.16 1.04 -0.15 0.00 0.00 0.00 0.00 51.96 53.00 3ith s ALA 445 Cb 0.01 0.25 0.02 0.00 0.00 0.00 0.00 23.12 23.41 3ith s ALA 445 CO 0.01 -0.57 0.33 0.00 0.00 0.00 0.00 175.76 175.53 3ith s ALA 446 N -2.49 -0.80 -0.32 0.00 0.00 -1.26 -1.61 121.76 115.27 3ith s ALA 446 Ca -0.01 0.23 -0.11 0.00 0.00 0.00 0.00 51.96 52.07 3ith s ALA 446 Cb -0.01 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.30 3ith s ALA 446 CO -0.04 -0.35 0.20 1.21 0.00 0.00 0.00 175.76 176.78 3ith s ASN 447 N -1.69 5.82 0.17 0.00 2.47 0.45 -4.79 114.94 117.36 3ith s ASN 447 Ca -0.09 -0.46 -0.15 0.00 0.42 0.00 0.00 52.86 52.58 3ith s ASN 447 Cb -0.03 -2.07 0.06 0.00 -1.45 0.00 0.00 41.25 37.76 3ith s ASN 447 CO 0.01 -0.21 1.81 0.03 -3.72 0.00 0.00 177.10 175.01 3ith h ARG 448 N 8.42 0.54 0.81 0.43 2.47 -1.94 -0.17 114.38 124.94 3ith h ARG 448 Ca -0.32 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.33 3ith h ARG 448 Cb 1.15 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 29.35 3ith h ARG 448 CO 0.62 0.36 -0.50 0.93 0.56 0.00 0.00 179.97 181.94 3ith h GLU 449 N 0.55 -1.18 0.00 0.04 5.08 -1.97 -3.37 114.58 113.74 3ith h GLU 449 Ca 0.18 0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3ith h GLU 449 Cb -0.00 0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3ith h GLU 449 CO -0.07 -0.79 -0.63 0.25 -1.00 0.00 0.00 179.01 176.77 3ith n THR 450 N -5.62 0.18 -1.00 1.13 -2.24 -1.13 -4.95 114.28 100.65 3ith n THR 450 Ca -0.15 -0.16 -0.00 0.00 -2.27 0.00 0.00 64.05 61.47 3ith n THR 450 Cb 0.51 0.08 -0.00 0.00 -2.10 0.00 0.00 70.33 68.81 3ith n THR 450 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3ith n LYS 451 N -1.84 -1.06 -3.80 -0.78 5.02 -0.09 -4.78 118.16 110.84 3ith n LYS 451 Ca 0.04 0.27 -0.33 0.00 -2.02 0.00 0.00 58.31 56.27 3ith n LYS 451 Cb 0.40 -4.07 -0.05 0.00 -0.02 0.00 0.00 35.03 31.29 3ith n LYS 451 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ith s LEU 452 N -0.02 4.34 0.36 -0.35 1.43 -1.26 0.19 118.68 123.37 3ith s LEU 452 Ca 0.00 0.47 -0.16 0.00 -1.03 0.00 0.00 54.13 53.40 3ith s LEU 452 Cb 0.00 -2.89 0.06 0.00 0.03 0.00 0.00 46.19 43.39 3ith s LEU 452 CO 0.00 0.18 0.83 -0.83 0.23 0.00 0.00 176.35 176.77 3ith s GLY 453 N -2.11 0.35 0.03 -3.19 0.00 0.11 -0.41 107.32 102.09 3ith s GLY 453 Ca 0.33 -0.71 0.02 0.00 0.00 0.00 0.00 44.72 44.36 3ith s GLY 453 CO 0.21 0.11 -0.08 0.54 0.00 0.00 0.00 173.10 173.89 3ith s LYS 454 N -2.22 0.55 -0.05 2.90 1.02 -0.64 0.97 119.74 122.27 3ith s LYS 454 Ca 0.17 -0.60 0.03 0.00 0.02 0.00 0.00 55.97 55.58 3ith s LYS 454 Cb -0.05 -0.41 0.01 0.00 -0.52 0.00 0.00 37.83 36.87 3ith s LYS 454 CO 0.11 0.09 -0.12 0.00 -0.92 0.00 0.00 175.35 174.50 3ith s ALA 455 N -0.97 1.24 0.39 5.17 0.00 -0.59 -1.43 121.76 125.56 3ith s ALA 455 Ca -0.05 -0.44 -0.13 0.00 0.00 0.00 0.00 51.96 51.34 3ith s ALA 455 Cb -0.08 -0.52 0.05 0.00 0.00 0.00 0.00 23.12 22.58 3ith s ALA 455 CO 0.00 0.15 0.74 0.20 0.00 0.00 0.00 175.76 176.85 3ith s GLY 456 N 0.49 0.63 0.31 0.00 0.00 -0.59 -0.96 107.32 107.20 3ith s GLY 456 Ca -0.11 -0.94 0.02 0.00 0.00 0.00 0.00 44.72 43.69 3ith s GLY 456 CO 0.03 -0.46 0.37 1.58 0.00 0.00 0.00 173.10 174.62 3ith n TYR 457 N -0.55 -1.12 -3.64 1.90 4.11 -0.66 -2.04 117.16 115.17 3ith n TYR 457 Ca -0.07 -2.32 -0.08 0.00 -0.00 0.00 0.00 57.90 55.43 3ith n TYR 457 Cb 0.60 0.41 -0.07 0.00 -0.00 0.00 0.00 39.34 40.28 3ith n TYR 457 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 3ith s VAL 458 N -2.96 0.00 0.37 -3.48 1.01 -0.38 -2.83 120.40 112.13 3ith s VAL 458 Ca 0.31 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.32 3ith s VAL 458 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3ith s VAL 458 CO 0.22 0.00 0.10 0.42 0.00 0.00 0.00 175.10 175.83 3ith s THR 459 N 0.45 0.84 0.14 3.92 -4.23 -0.83 0.75 115.64 116.67 3ith s THR 459 Ca 0.01 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.53 3ith s THR 459 Cb -0.05 -2.53 -0.19 0.00 1.34 0.00 0.00 72.50 71.07 3ith s THR 459 CO -0.07 0.00 1.31 -0.55 -0.54 0.00 0.00 174.62 174.76 3ith h ASN 460 N 1.93 0.28 0.00 3.99 -0.00 -1.85 -3.15 115.58 116.79 3ith h ASN 460 Ca -0.38 -0.25 0.00 0.00 -0.00 0.00 0.00 56.30 55.67 3ith h ASN 460 Cb 1.26 -0.09 0.00 0.00 -0.00 0.00 0.00 38.32 39.50 3ith h ASN 460 CO 0.63 1.10 0.00 0.29 -0.00 0.00 0.00 177.43 179.45 3ith n LYS 461 N -3.59 0.71 -0.48 4.14 4.76 -1.26 -4.82 118.16 117.61 3ith n LYS 461 Ca -0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 3ith n LYS 461 Cb 0.88 -1.15 0.00 0.00 -1.84 0.00 0.00 35.03 32.92 3ith n LYS 461 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ith n GLY 462 N 0.65 0.68 3.73 0.72 0.00 -1.19 -4.96 105.19 104.82 3ith n GLY 462 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3ith n GLY 462 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ith s ARG 463 N -0.40 4.45 0.29 1.61 3.52 -1.26 -4.88 118.95 122.29 3ith s ARG 463 Ca 0.00 1.86 0.04 0.00 -0.13 0.00 0.00 55.73 57.50 3ith s ARG 463 Cb 0.00 -3.28 -0.06 0.00 -1.56 0.00 0.00 34.95 30.05 3ith s ARG 463 CO 0.00 -0.18 0.02 -0.65 -0.81 0.00 0.00 175.30 173.68 3ith s GLN 464 N 0.36 1.56 -0.08 5.12 -0.21 -1.26 -1.96 119.66 123.18 3ith s GLN 464 Ca 0.56 -1.83 -0.30 0.00 0.02 0.00 0.00 55.36 53.81 3ith s GLN 464 Cb -0.32 -0.86 0.10 0.00 1.00 0.00 0.00 33.01 32.93 3ith s GLN 464 CO 0.33 -0.12 0.87 0.21 -2.12 0.00 0.00 175.29 174.46 3ith s LYS 465 N -3.85 0.81 -0.30 2.91 2.20 -1.13 -4.96 119.74 115.42 3ith s LYS 465 Ca 0.33 0.04 -0.00 0.00 -0.36 0.00 0.00 55.97 55.98 3ith s LYS 465 Cb 0.07 0.38 0.19 0.00 -1.51 0.00 0.00 37.83 36.96 3ith s LYS 465 CO 0.13 -0.28 0.61 0.08 -0.36 0.00 0.00 175.35 175.53 3ith s VAL 466 N -1.74 -0.98 -0.19 4.02 1.01 -1.26 -1.65 120.40 119.61 3ith s VAL 466 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.89 3ith s VAL 466 Cb -0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 3ith s VAL 466 CO 0.01 0.00 0.03 -0.69 0.00 0.00 0.00 175.10 174.45 3ith s VAL 467 N 2.86 4.41 -0.05 2.92 1.01 -0.13 -4.97 120.40 126.44 3ith s VAL 467 Ca 0.19 -0.16 -0.26 0.00 0.00 0.00 0.00 61.98 61.74 3ith s VAL 467 Cb -0.14 -2.99 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 3ith s VAL 467 CO -0.22 0.44 0.81 -2.16 0.00 0.00 0.00 175.10 173.98 3ith s PRO 468 N 0.66 4.47 0.03 2.72 0.04 -1.26 -1.54 135.00 140.12 3ith s PRO 468 Ca 0.02 1.08 0.08 0.00 0.04 0.00 0.00 61.00 62.22 3ith s PRO 468 Cb -0.14 -3.46 -0.03 0.00 0.04 0.00 0.00 34.50 30.92 3ith s PRO 468 CO 0.02 -0.01 -0.25 -0.51 0.04 0.00 0.00 177.00 176.30 3ith s LEU 469 N 0.98 2.14 -0.04 -3.56 1.43 0.27 -4.98 118.68 114.93 3ith s LEU 469 Ca 0.43 -0.54 0.06 0.00 -1.03 0.00 0.00 54.13 53.05 3ith s LEU 469 Cb -0.19 -1.20 -0.02 0.00 0.03 0.00 0.00 46.19 44.81 3ith s LEU 469 CO 0.21 0.24 -0.24 0.42 0.23 0.00 0.00 176.35 177.22 3ith s THR 470 N -0.75 2.23 -0.41 5.49 -4.23 -1.26 -0.72 115.64 116.00 3ith s THR 470 Ca 0.10 -1.02 -0.00 0.00 -1.18 0.00 0.00 61.69 59.58 3ith s THR 470 Cb -0.10 -1.81 0.00 0.00 1.34 0.00 0.00 72.50 71.94 3ith s THR 470 CO 0.01 0.58 0.34 -3.20 -0.54 0.00 0.00 174.62 171.81 3ith n ASN 471 N 2.63 -2.22 -0.58 3.99 5.15 0.50 -4.97 115.26 119.76 3ith n ASN 471 Ca -0.17 -0.20 0.00 0.00 -0.60 0.00 0.00 54.58 53.61 3ith n ASN 471 Cb 0.52 -2.04 0.00 0.00 -0.53 0.00 0.00 39.78 37.73 3ith n ASN 471 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3ith n THR 472 N -2.22 0.00 -3.89 -0.44 -2.24 -0.58 -5.04 114.28 99.87 3ith n THR 472 Ca -0.08 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.59 3ith n THR 472 Cb 0.55 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.67 3ith n THR 472 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3ith s THR 473 N -1.59 0.07 0.50 4.28 -4.23 -1.26 -4.62 115.64 108.80 3ith s THR 473 Ca 0.00 -0.58 0.37 0.00 -1.18 0.00 0.00 61.69 60.30 3ith s THR 473 Cb 0.00 -0.32 0.58 0.00 1.34 0.00 0.00 72.50 74.10 3ith s THR 473 CO 0.00 -0.32 1.68 -1.13 -0.54 0.00 0.00 174.62 174.31 3ith h ASN 474 N 4.79 0.11 0.28 3.99 -0.73 -1.87 0.37 115.58 122.52 3ith h ASN 474 Ca -0.30 0.05 -0.33 0.00 1.87 0.00 0.00 56.30 57.59 3ith h ASN 474 Cb 1.20 0.04 0.04 0.00 0.27 0.00 0.00 38.32 39.86 3ith h ASN 474 CO 0.41 -0.04 -1.44 1.56 -0.37 0.00 0.00 177.43 177.55 3ith h GLN 475 N 0.06 0.53 -0.16 6.67 7.50 -1.97 -3.26 115.11 124.49 3ith h GLN 475 Ca 0.76 -0.89 -0.01 0.00 0.50 0.00 0.00 58.65 59.01 3ith h GLN 475 Cb 2.75 0.33 -0.01 0.00 0.05 0.00 0.00 27.48 30.60 3ith h GLN 475 CO -0.15 1.42 0.05 0.87 -1.50 0.00 0.00 178.83 179.52 3ith h LYS 476 N 0.16 0.25 -0.24 1.46 1.57 -0.70 -3.10 116.57 115.98 3ith h LYS 476 Ca -0.24 -0.06 0.07 0.00 -1.87 0.00 0.00 60.65 58.55 3ith h LYS 476 Cb 2.13 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 34.40 3ith h LYS 476 CO 0.27 0.38 0.17 1.79 -0.57 0.00 0.00 179.45 181.49 3ith h THR 477 N 0.08 0.88 0.00 -0.16 1.35 -1.37 -0.58 112.91 113.11 3ith h THR 477 Ca 0.05 -0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.88 3ith h THR 477 Cb 0.23 0.87 -0.00 0.00 -1.73 0.00 0.00 68.15 67.52 3ith h THR 477 CO -0.00 0.00 -0.12 1.56 -0.25 0.00 0.00 175.52 176.71 3ith h GLN 478 N 0.01 0.00 0.01 4.72 1.08 -1.57 0.12 115.11 119.47 3ith h GLN 478 Ca 0.11 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 57.02 3ith h GLN 478 Cb 0.45 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.84 3ith h GLN 478 CO -0.00 0.12 -1.72 1.28 -0.95 0.00 0.00 178.83 177.56 3ith n LEU 479 N -4.33 1.05 -0.01 1.46 4.77 -0.28 -3.26 117.00 116.39 3ith n LEU 479 Ca -0.03 0.41 -0.10 0.00 -0.03 0.00 0.00 56.01 56.26 3ith n LEU 479 Cb 0.20 0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.29 3ith n LEU 479 CO 0.35 0.43 0.84 -0.61 -1.33 0.00 0.00 177.39 177.07 3ith h GLN 480 N 0.01 -0.01 -0.59 3.23 5.75 -1.10 0.31 115.11 122.71 3ith h GLN 480 Ca -0.29 0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.25 3ith h GLN 480 Cb 2.01 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 30.52 3ith h GLN 480 CO 0.08 -0.00 0.34 0.00 -2.65 0.00 0.00 178.83 176.59 3ith h ALA 481 N 1.13 0.78 -0.56 3.38 0.00 -1.07 0.01 119.26 122.92 3ith h ALA 481 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3ith h ALA 481 Cb 0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3ith h ALA 481 CO -0.14 0.03 0.15 0.82 0.00 0.00 0.00 179.25 180.11 3ith h ILE 482 N 0.65 1.23 -0.75 0.00 2.04 -1.45 -1.98 117.51 117.25 3ith h ILE 482 Ca 0.25 -0.81 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 3ith h ILE 482 Cb 0.10 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 3ith h ILE 482 CO -0.14 0.30 0.43 0.22 0.00 0.00 0.00 178.15 178.96 3ith h TYR 483 N 0.83 1.00 0.54 1.37 3.20 0.11 -1.81 116.97 122.19 3ith h TYR 483 Ca 0.18 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 3ith h TYR 483 Cb 0.29 -0.32 0.01 0.00 1.54 0.00 0.00 36.73 38.24 3ith h TYR 483 CO 0.02 0.68 -0.26 -0.07 -1.64 0.00 0.00 178.16 176.89 3ith h LEU 484 N 1.04 -0.61 -0.95 2.82 3.38 -0.54 -0.33 115.31 120.12 3ith h LEU 484 Ca 0.27 -0.05 0.29 0.00 0.09 0.00 0.00 57.88 58.47 3ith h LEU 484 Cb -0.01 0.16 -0.15 0.00 0.09 0.00 0.00 40.66 40.74 3ith h LEU 484 CO -0.05 -0.26 0.35 0.00 0.09 0.00 0.00 178.44 178.58 3ith h ALA 485 N -0.72 1.59 -0.48 1.53 0.00 -1.31 0.72 119.26 120.58 3ith h ALA 485 Ca -0.07 0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 3ith h ALA 485 Cb 0.63 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3ith h ALA 485 CO 0.12 -0.57 -0.22 -0.07 0.00 0.00 0.00 179.25 178.51 3ith h LEU 486 N 0.19 1.03 0.00 0.00 3.38 -1.04 -2.87 115.31 116.00 3ith h LEU 486 Ca 0.65 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3ith h LEU 486 Cb 1.45 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3ith h LEU 486 CO -0.69 1.20 0.00 0.00 0.09 0.00 0.00 178.44 179.04 3ith n GLN 487 N -4.11 0.03 0.00 1.13 6.02 0.24 -2.87 117.38 117.82 3ith n GLN 487 Ca 0.00 0.21 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 3ith n GLN 487 Cb 0.46 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.22 3ith n GLN 487 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3ith n ASP 488 N -1.48 1.25 -4.99 1.08 9.92 -0.63 -5.06 116.55 116.64 3ith n ASP 488 Ca 0.04 -1.43 -0.20 0.00 -0.53 0.00 0.00 54.79 52.67 3ith n ASP 488 Cb 0.18 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 40.69 3ith n ASP 488 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3ith s SER 489 N -0.43 5.13 0.00 -2.24 1.04 -1.09 -5.06 113.70 111.04 3ith s SER 489 Ca 0.00 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.61 3ith s SER 489 Cb 0.00 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.16 3ith s SER 489 CO 0.00 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 173.72 3ith n GLY 490 N -2.01 0.12 0.28 7.32 0.00 -1.26 -4.94 105.19 104.70 3ith n GLY 490 Ca 0.10 -1.44 0.13 0.00 0.00 0.00 0.00 46.02 44.81 3ith n GLY 490 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ith n LEU 491 N 0.00 1.13 -3.79 0.99 4.77 -1.26 -4.77 117.00 114.06 3ith n LEU 491 Ca 0.00 -0.31 -0.15 0.00 -0.03 0.00 0.00 56.01 55.51 3ith n LEU 491 Cb 0.00 -0.11 -0.16 0.00 -2.33 0.00 0.00 43.42 40.82 3ith n LEU 491 CO 0.00 0.21 -0.36 -1.61 -1.33 0.00 0.00 177.39 174.30 3ith s GLU 492 N -2.48 0.06 -0.08 3.23 2.02 -1.26 -0.54 118.70 119.66 3ith s GLU 492 Ca 0.24 0.14 -0.20 0.00 0.02 0.00 0.00 54.97 55.17 3ith s GLU 492 Cb 0.19 -0.29 0.04 0.00 0.10 0.00 0.00 34.13 34.17 3ith s GLU 492 CO 0.52 -0.14 0.48 0.54 0.02 0.00 0.00 175.26 176.67 3ith s VAL 493 N 0.97 0.02 -0.10 2.63 0.11 -1.08 -4.22 120.40 118.74 3ith s VAL 493 Ca -0.09 -0.20 -0.00 0.00 -2.93 0.00 0.00 61.98 58.77 3ith s VAL 493 Cb -0.12 -0.75 -0.03 0.00 -1.53 0.00 0.00 36.38 33.95 3ith s VAL 493 CO -0.02 -0.11 -0.08 0.20 -3.33 0.00 0.00 175.10 171.76 3ith s ASN 494 N -0.82 4.55 0.20 3.54 0.02 -0.85 -2.13 114.94 119.45 3ith s ASN 494 Ca -0.09 -0.10 0.11 0.00 -1.02 0.00 0.00 52.86 51.76 3ith s ASN 494 Cb -0.03 -1.35 -0.04 0.00 0.02 0.00 0.00 41.25 39.84 3ith s ASN 494 CO 0.05 0.29 -0.21 -0.63 0.02 0.00 0.00 177.10 176.62 3ith s ILE 495 N -0.37 2.20 -0.19 0.60 1.01 0.60 -0.14 121.20 124.91 3ith s ILE 495 Ca 0.05 -2.09 -0.04 0.00 0.00 0.00 0.00 60.65 58.58 3ith s ILE 495 Cb -0.12 -2.08 0.09 0.00 0.01 0.00 0.00 42.46 40.36 3ith s ILE 495 CO 0.02 -0.25 0.26 -0.69 0.00 0.00 0.00 174.94 174.28 3ith s VAL 496 N -2.01 -0.40 0.40 2.92 1.01 -0.07 -1.05 120.40 121.19 3ith s VAL 496 Ca 0.21 0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.28 3ith s VAL 496 Cb -0.06 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 3ith s VAL 496 CO 0.10 -0.09 0.31 0.42 0.00 0.00 0.00 175.10 175.83 3ith s THR 497 N 2.39 2.78 -1.46 3.92 -4.23 -0.88 -2.04 115.64 116.13 3ith s THR 497 Ca 0.06 -1.44 0.14 0.00 -1.18 0.00 0.00 61.69 59.27 3ith s THR 497 Cb -0.15 -3.03 0.03 0.00 1.34 0.00 0.00 72.50 70.70 3ith s THR 497 CO -0.12 -0.05 0.84 -0.90 -0.54 0.00 0.00 174.62 173.85 3ith n ASP 498 N -1.43 1.70 -4.53 3.99 5.68 -1.26 -2.37 116.55 118.34 3ith n ASP 498 Ca 0.01 -1.35 -0.42 0.00 -0.50 0.00 0.00 54.79 52.53 3ith n ASP 498 Cb 0.62 0.34 -0.03 0.00 -1.14 0.00 0.00 41.12 40.91 3ith n ASP 498 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3ith s SER 499 N -1.60 6.29 0.16 -1.12 0.15 -1.26 -4.57 113.70 111.75 3ith s SER 499 Ca 0.13 -0.41 -0.17 0.00 0.70 0.00 0.00 55.95 56.21 3ith s SER 499 Cb 0.12 -2.48 0.08 0.00 -1.71 0.00 0.00 66.02 62.02 3ith s SER 499 CO 0.31 -1.46 1.70 1.56 1.20 0.00 0.00 173.24 176.55 3ith h GLN 500 N 9.57 0.07 -0.68 5.44 1.08 -1.96 0.29 115.11 128.93 3ith h GLN 500 Ca -0.27 -0.00 0.08 0.00 -1.45 0.00 0.00 58.65 57.01 3ith h GLN 500 Cb 1.06 -0.02 -0.11 0.00 -0.05 0.00 0.00 27.48 28.37 3ith h GLN 500 CO 1.17 0.05 -0.50 -0.92 -0.95 0.00 0.00 178.83 177.68 3ith h TYR 501 N 0.08 -1.52 -0.43 2.96 3.20 -1.99 0.61 116.97 119.88 3ith h TYR 501 Ca 0.18 0.10 0.00 0.00 3.14 0.00 0.00 58.73 62.14 3ith h TYR 501 Cb 0.25 0.76 -0.02 0.00 1.54 0.00 0.00 36.73 39.25 3ith h TYR 501 CO -0.27 -0.43 0.28 0.00 -1.64 0.00 0.00 178.16 176.10 3ith h ALA 502 N 0.50 0.54 -0.21 1.82 0.00 -1.76 -2.94 119.26 117.21 3ith h ALA 502 Ca 0.16 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.08 3ith h ALA 502 Cb 0.54 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 3ith h ALA 502 CO -0.75 0.01 -0.08 1.25 0.00 0.00 0.00 179.25 179.67 3ith h LEU 503 N 0.57 -0.28 0.64 0.00 5.85 0.10 -2.96 115.31 119.23 3ith h LEU 503 Ca 0.16 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 3ith h LEU 503 Cb -0.05 0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 3ith h LEU 503 CO -0.03 -0.11 -0.36 1.23 -0.34 0.00 0.00 178.44 178.83 3ith h GLY 504 N -0.05 -0.99 -0.76 3.75 0.00 -0.82 -1.10 103.07 103.10 3ith h GLY 504 Ca 0.11 0.40 0.37 0.00 0.00 0.00 0.00 47.33 48.21 3ith h GLY 504 CO -0.24 -0.36 0.69 -2.22 0.00 0.00 0.00 176.54 174.42 3ith h ILE 505 N -0.93 0.22 0.04 2.60 2.04 -1.51 -1.46 117.51 118.51 3ith h ILE 505 Ca -0.08 -0.07 -0.12 0.00 1.00 0.00 0.00 64.86 65.59 3ith h ILE 505 Cb 0.74 0.01 0.01 0.00 -0.74 0.00 0.00 36.82 36.84 3ith h ILE 505 CO 0.10 0.04 -0.48 0.40 0.00 0.00 0.00 178.15 178.21 3ith h ILE 506 N 0.20 1.53 -0.76 -0.67 1.08 -1.20 -3.31 117.51 114.37 3ith h ILE 506 Ca 0.76 -2.18 0.17 0.00 -0.39 0.00 0.00 64.86 63.22 3ith h ILE 506 Cb 2.08 2.89 -0.12 0.00 -3.07 0.00 0.00 36.82 38.60 3ith h ILE 506 CO -0.51 0.61 0.15 1.56 -0.69 0.00 0.00 178.15 179.27 3ith h GLN 507 N -0.39 0.22 -1.57 2.37 1.08 -0.16 -1.67 115.11 114.98 3ith h GLN 507 Ca -0.07 -0.01 0.47 0.00 -1.45 0.00 0.00 58.65 57.59 3ith h GLN 507 Cb 1.27 -0.05 -0.09 0.00 -0.05 0.00 0.00 27.48 28.56 3ith h GLN 507 CO 0.09 0.14 1.09 0.00 -0.95 0.00 0.00 178.83 179.21 3ith h ALA 508 N 1.66 3.29 -3.46 3.87 0.00 -1.54 -3.45 119.26 119.62 3ith h ALA 508 Ca 0.43 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 55.12 3ith h ALA 508 Cb 0.77 0.15 0.07 0.00 0.00 0.00 0.00 17.79 18.78 3ith h ALA 508 CO -0.56 -1.83 -0.38 1.04 0.00 0.00 0.00 179.25 177.52 3ith n GLN 509 N -4.27 -4.03 -1.08 0.00 6.02 -0.63 -4.95 117.38 108.43 3ith n GLN 509 Ca 0.38 0.49 -0.32 0.00 -0.01 0.00 0.00 57.00 57.53 3ith n GLN 509 Cb 1.63 -4.48 0.12 0.00 1.02 0.00 0.00 30.24 28.54 3ith n GLN 509 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3ith s PRO 510 N -5.58 1.70 0.00 -1.09 0.04 -1.26 -4.78 135.00 124.02 3ith s PRO 510 Ca 0.29 1.52 0.01 0.00 0.04 0.00 0.00 61.00 62.86 3ith s PRO 510 Cb -0.13 -1.81 0.02 0.00 0.04 0.00 0.00 34.50 32.62 3ith s PRO 510 CO 0.35 -2.12 0.84 -0.40 0.04 0.00 0.00 177.00 175.72 3ith n ASP 511 N -3.55 1.71 -3.64 6.66 5.68 -1.02 -4.95 116.55 117.45 3ith n ASP 511 Ca 0.12 -1.66 -0.10 0.00 -0.50 0.00 0.00 54.79 52.65 3ith n ASP 511 Cb 0.52 -0.01 -0.07 0.00 -1.14 0.00 0.00 41.12 40.42 3ith n ASP 511 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 3ith s LYS 512 N -0.67 0.66 0.22 0.11 2.20 -1.23 -5.01 119.74 116.02 3ith s LYS 512 Ca 0.01 0.90 -0.06 0.00 -0.36 0.00 0.00 55.97 56.47 3ith s LYS 512 Cb 0.01 0.26 -0.03 0.00 -1.51 0.00 0.00 37.83 36.56 3ith s LYS 512 CO 0.01 -0.10 0.27 0.45 -0.36 0.00 0.00 175.35 175.62 3ith s SER 513 N 0.75 0.05 0.04 1.43 0.15 -1.26 -3.25 113.70 111.61 3ith s SER 513 Ca -0.03 -1.19 0.23 0.00 0.70 0.00 0.00 55.95 55.66 3ith s SER 513 Cb -0.05 0.46 0.13 0.00 -1.71 0.00 0.00 66.02 64.85 3ith s SER 513 CO -0.08 -0.96 1.11 -1.84 1.20 0.00 0.00 173.24 172.67 3ith n GLU 514 N -0.31 0.19 -3.80 5.44 0.28 -1.17 -4.85 120.64 116.43 3ith n GLU 514 Ca 0.00 0.00 -0.36 0.00 -0.16 0.00 0.00 57.16 56.65 3ith n GLU 514 Cb 0.64 -1.57 -0.11 0.00 1.43 0.00 0.00 31.44 31.84 3ith n GLU 514 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3ith s SER 515 N -3.64 5.67 0.25 -1.84 0.15 -1.26 -4.98 113.70 108.05 3ith s SER 515 Ca 0.06 -0.00 -0.03 0.00 0.70 0.00 0.00 55.95 56.67 3ith s SER 515 Cb 0.15 -2.01 0.46 0.00 -1.71 0.00 0.00 66.02 62.91 3ith s SER 515 CO 0.78 0.06 1.76 -0.33 1.20 0.00 0.00 173.24 176.71 3ith h GLU 516 N 7.55 0.56 -0.13 5.44 4.39 -1.99 -0.56 114.58 129.84 3ith h GLU 516 Ca -0.37 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.34 3ith h GLU 516 Cb 1.17 -0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 29.64 3ith h GLU 516 CO 0.63 0.37 -0.23 1.25 -1.16 0.00 0.00 179.01 179.87 3ith h LEU 517 N 0.57 -0.71 -1.07 1.33 5.85 -1.99 0.45 115.31 119.74 3ith h LEU 517 Ca 0.42 0.12 -0.04 0.00 0.84 0.00 0.00 57.88 59.22 3ith h LEU 517 Cb 0.57 0.32 -0.03 0.00 0.37 0.00 0.00 40.66 41.89 3ith h LEU 517 CO -0.35 -0.28 0.23 0.58 -0.34 0.00 0.00 178.44 178.28 3ith h VAL 518 N -0.29 1.22 -0.94 1.05 2.07 -1.62 -0.10 116.25 117.63 3ith h VAL 518 Ca 0.10 -0.70 0.10 0.00 0.82 0.00 0.00 66.70 67.02 3ith h VAL 518 Cb 0.44 0.50 -0.07 0.00 -1.52 0.00 0.00 31.29 30.65 3ith h VAL 518 CO -0.30 0.28 0.60 0.78 0.02 0.00 0.00 177.57 178.95 3ith h ASN 519 N 0.88 0.87 -0.22 0.57 2.35 -0.03 0.23 115.58 120.24 3ith h ASN 519 Ca 0.21 0.03 -0.13 0.00 -0.55 0.00 0.00 56.30 55.85 3ith h ASN 519 Cb 0.19 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 3ith h ASN 519 CO -0.02 0.51 -0.38 1.56 -1.65 0.00 0.00 177.43 177.45 3ith h GLN 520 N 0.96 0.65 -0.75 0.81 4.20 0.39 -2.16 115.11 119.22 3ith h GLN 520 Ca 0.44 -0.40 0.02 0.00 0.06 0.00 0.00 58.65 58.77 3ith h GLN 520 Cb 0.39 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.18 3ith h GLN 520 CO -0.20 1.02 0.48 0.82 -0.67 0.00 0.00 178.83 180.28 3ith h ILE 521 N 0.35 1.14 0.68 2.54 2.04 -0.16 -2.41 117.51 121.69 3ith h ILE 521 Ca 0.01 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 3ith h ILE 521 Cb 0.98 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 3ith h ILE 521 CO 0.09 0.17 -0.42 0.40 0.00 0.00 0.00 178.15 178.39 3ith h ILE 522 N 0.96 0.15 -0.99 -0.67 1.08 -0.43 -1.56 117.51 116.06 3ith h ILE 522 Ca 0.29 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.89 3ith h ILE 522 Cb -0.04 0.15 -0.09 0.00 -3.07 0.00 0.00 36.82 33.78 3ith h ILE 522 CO -0.09 0.00 0.62 1.05 -0.69 0.00 0.00 178.15 179.04 3ith h GLU 523 N -1.03 0.91 -0.13 2.37 4.11 -1.28 0.15 114.58 119.68 3ith h GLU 523 Ca -0.09 -0.05 0.02 0.00 0.07 0.00 0.00 59.36 59.31 3ith h GLU 523 Cb 0.83 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 3ith h GLU 523 CO 0.08 0.60 0.02 1.96 0.07 0.00 0.00 179.01 181.74 3ith h GLN 524 N 0.93 0.06 -0.30 1.06 1.08 -1.18 -1.18 115.11 115.59 3ith h GLN 524 Ca 0.50 -0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.65 3ith h GLN 524 Cb 0.57 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.97 3ith h GLN 524 CO -0.27 0.04 -0.01 -0.07 -0.95 0.00 0.00 178.83 177.57 3ith h LEU 525 N 0.07 0.43 -0.07 1.46 3.38 0.23 -0.30 115.31 120.52 3ith h LEU 525 Ca 0.06 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 57.98 3ith h LEU 525 Cb 0.05 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 3ith h LEU 525 CO -0.08 0.51 -0.18 0.40 0.09 0.00 0.00 178.44 179.18 3ith h ILE 526 N 0.45 0.55 -0.83 1.22 2.04 -0.72 -2.93 117.51 117.30 3ith h ILE 526 Ca 0.10 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.05 3ith h ILE 526 Cb 0.31 0.55 -0.06 0.00 -0.74 0.00 0.00 36.82 36.89 3ith h ILE 526 CO 0.01 0.00 0.54 0.50 0.00 0.00 0.00 178.15 179.20 3ith h LYS 527 N -0.26 0.76 -7.34 2.37 3.64 0.18 -3.44 116.57 112.49 3ith h LYS 527 Ca 0.08 -0.05 -0.49 0.00 -1.27 0.00 0.00 60.65 58.92 3ith h LYS 527 Cb 0.36 -0.17 0.14 0.00 -0.41 0.00 0.00 32.23 32.15 3ith h LYS 527 CO -0.22 0.51 0.28 0.15 -2.27 0.00 0.00 179.45 177.90 3ith s LYS 528 N -5.72 1.70 -0.22 1.90 -0.14 -0.74 -5.01 119.74 111.50 3ith s LYS 528 Ca -0.10 0.89 -0.03 0.00 -1.36 0.00 0.00 55.97 55.37 3ith s LYS 528 Cb 0.21 -1.85 -0.19 0.00 -1.68 0.00 0.00 37.83 34.31 3ith s LYS 528 CO 0.78 -1.95 -0.04 0.39 -0.76 0.00 0.00 175.35 173.77 3ith n GLU 529 N -3.70 0.67 -3.80 1.68 1.02 0.30 -4.97 120.64 111.84 3ith n GLU 529 Ca 0.08 0.22 -0.12 0.00 -0.02 0.00 0.00 57.16 57.31 3ith n GLU 529 Cb 0.55 -1.58 -0.11 0.00 -0.02 0.00 0.00 31.44 30.27 3ith n GLU 529 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3ith s LYS 530 N -2.52 0.33 -0.10 3.49 1.02 -0.90 -5.03 119.74 116.04 3ith s LYS 530 Ca -0.31 0.17 -0.04 0.00 0.02 0.00 0.00 55.97 55.81 3ith s LYS 530 Cb 0.09 0.15 0.05 0.00 -0.52 0.00 0.00 37.83 37.60 3ith s LYS 530 CO 0.64 -0.06 0.19 0.08 -0.92 0.00 0.00 175.35 175.29 3ith s VAL 531 N -0.22 -0.27 -0.27 3.17 1.01 -1.26 -2.64 120.40 119.92 3ith s VAL 531 Ca -0.03 0.30 -0.06 0.00 0.00 0.00 0.00 61.98 62.19 3ith s VAL 531 Cb -0.03 -0.34 0.00 0.00 0.00 0.00 0.00 36.38 36.02 3ith s VAL 531 CO 0.01 0.13 0.04 -0.47 0.00 0.00 0.00 175.10 174.80 3ith s TYR 532 N 2.13 3.09 -0.22 5.22 6.14 -0.91 -1.65 117.35 131.16 3ith s TYR 532 Ca 0.00 -0.94 -0.14 0.00 0.64 0.00 0.00 57.07 56.63 3ith s TYR 532 Cb -0.12 -2.20 -0.04 0.00 0.42 0.00 0.00 41.96 40.02 3ith s TYR 532 CO -0.07 -0.55 0.33 -0.51 0.64 0.00 0.00 175.55 175.39 3ith s LEU 533 N 1.50 4.14 0.11 6.97 2.01 -1.26 -0.29 118.68 131.85 3ith s LEU 533 Ca 0.04 0.39 0.09 0.00 0.01 0.00 0.00 54.13 54.66 3ith s LEU 533 Cb -0.16 -2.39 -0.04 0.00 0.01 0.00 0.00 46.19 43.61 3ith s LEU 533 CO 0.01 -0.04 -0.24 0.00 1.01 0.00 0.00 176.35 177.09 3ith s ALA 534 N 1.28 2.05 0.07 4.21 0.00 -0.22 -4.97 121.76 124.19 3ith s ALA 534 Ca 0.16 -1.32 0.07 0.00 0.00 0.00 0.00 51.96 50.86 3ith s ALA 534 Cb -0.14 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 3ith s ALA 534 CO 0.07 0.44 -0.14 -0.46 0.00 0.00 0.00 175.76 175.67 3ith s TRP 535 N -1.08 2.65 -0.03 0.00 -0.00 -1.26 -2.06 118.94 117.16 3ith s TRP 535 Ca 0.10 -0.20 -0.11 0.00 -0.00 0.00 0.00 56.10 55.89 3ith s TRP 535 Cb -0.10 -1.45 0.02 0.00 -0.00 0.00 0.00 33.47 31.94 3ith s TRP 535 CO 0.05 0.35 0.24 0.14 -0.00 0.00 0.00 176.95 177.73 3ith s VAL 536 N -1.06 0.05 0.21 5.86 -7.23 -1.00 -4.98 120.40 112.25 3ith s VAL 536 Ca 0.18 -0.44 -0.32 0.00 -1.81 0.00 0.00 61.98 59.59 3ith s VAL 536 Cb -0.11 -0.50 -0.11 0.00 0.56 0.00 0.00 36.38 36.22 3ith s VAL 536 CO 0.09 -0.24 1.65 -2.16 -0.31 0.00 0.00 175.10 174.13 3ith s PRO 537 N -1.01 4.15 1.10 4.82 0.04 -1.26 -4.06 135.00 138.77 3ith s PRO 537 Ca -0.11 2.53 -0.15 0.00 0.04 0.00 0.00 61.00 63.31 3ith s PRO 537 Cb -0.05 -3.09 0.16 0.00 0.04 0.00 0.00 34.50 31.56 3ith s PRO 537 CO 0.02 -0.69 0.49 0.00 0.04 0.00 0.00 177.00 176.87 3ith n ALA 538 N 3.71 -3.24 -0.73 8.56 0.00 -1.26 -4.58 120.51 122.97 3ith n ALA 538 Ca 0.14 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.49 3ith n ALA 538 Cb 0.37 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.04 3ith n ALA 538 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3ith n HIS 539 N -4.47 0.00 -0.01 0.00 8.25 -1.26 -4.73 115.22 113.00 3ith n HIS 539 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 3ith n HIS 539 Cb 0.57 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.68 3ith n HIS 539 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3ith n LYS 540 N 14.00 0.00 -0.93 -0.41 4.76 -1.26 -3.72 118.16 130.60 3ith n LYS 540 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3ith n LYS 540 Cb 0.00 -2.38 0.00 0.00 -1.84 0.00 0.00 35.03 30.81 3ith n LYS 540 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ith n GLY 541 N -1.17 0.56 3.75 0.72 0.00 -1.26 -5.03 105.19 102.76 3ith n GLY 541 Ca 0.00 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 3ith n GLY 541 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ith s ILE 542 N -2.00 3.96 0.00 -0.61 -1.09 -1.24 -4.85 121.20 115.37 3ith s ILE 542 Ca 0.00 1.96 0.00 0.00 -2.23 0.00 0.00 60.65 60.38 3ith s ILE 542 Cb 0.00 -4.24 0.00 0.00 -1.58 0.00 0.00 42.46 36.64 3ith s ILE 542 CO 0.00 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 174.78 3ith n GLY 543 N 1.47 0.00 0.17 6.18 0.00 -1.26 -1.65 105.19 110.10 3ith n GLY 543 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.02 3ith n GLY 543 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ith h GLY 544 N 0.00 0.00 0.30 -0.02 0.00 -1.97 -3.18 103.07 98.21 3ith h GLY 544 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 3ith h GLY 544 CO 0.00 0.00 -0.09 -0.57 0.00 0.00 0.00 176.54 175.88 3ith h ASN 545 N 0.00 -0.34 -0.55 0.19 -0.73 -1.83 -2.67 115.58 109.66 3ith h ASN 545 Ca -0.00 0.11 0.07 0.00 1.87 0.00 0.00 56.30 58.34 3ith h ASN 545 Cb 0.88 0.22 -0.06 0.00 0.27 0.00 0.00 38.32 39.63 3ith h ASN 545 CO 0.06 -0.12 0.22 -0.08 -0.37 0.00 0.00 177.43 177.14 3ith h GLU 546 N -0.01 0.41 -0.28 6.67 4.81 -1.29 0.27 114.58 125.17 3ith h GLU 546 Ca 0.17 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.38 3ith h GLU 546 Cb 0.26 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 3ith h GLU 546 CO -0.36 0.27 0.15 1.96 -0.73 0.00 0.00 179.01 180.30 3ith h GLN 547 N 0.42 0.31 -0.54 1.92 7.50 -1.64 -1.08 115.11 122.00 3ith h GLN 547 Ca 0.26 -0.02 -0.06 0.00 0.50 0.00 0.00 58.65 59.33 3ith h GLN 547 Cb 0.27 -0.07 -0.02 0.00 0.05 0.00 0.00 27.48 27.71 3ith h GLN 547 CO -0.24 0.20 0.10 0.28 -1.50 0.00 0.00 178.83 177.67 3ith h VAL 548 N 0.32 1.25 -0.15 -0.54 2.07 -1.22 -0.81 116.25 117.16 3ith h VAL 548 Ca 0.11 -0.94 0.02 0.00 0.82 0.00 0.00 66.70 66.71 3ith h VAL 548 Cb 0.01 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3ith h VAL 548 CO -0.06 0.34 -0.24 -0.78 0.02 0.00 0.00 177.57 176.85 3ith h ASP 549 N 0.78 -0.79 -0.87 0.57 3.58 -0.86 0.04 116.42 118.87 3ith h ASP 549 Ca 0.17 0.10 0.17 0.00 0.42 0.00 0.00 57.03 57.89 3ith h ASP 549 Cb 0.39 0.32 -0.17 0.00 1.72 0.00 0.00 39.33 41.60 3ith h ASP 549 CO 0.01 -0.18 -0.22 0.50 -2.88 0.00 0.00 179.24 176.47 3ith h LYS 550 N -0.19 -0.00 -0.45 0.28 3.64 -1.01 0.14 116.57 118.98 3ith h LYS 550 Ca 0.03 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.30 3ith h LYS 550 Cb 0.26 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 3ith h LYS 550 CO -0.24 -0.00 -0.16 -0.07 -2.27 0.00 0.00 179.45 176.71 3ith h LEU 551 N -0.00 0.86 0.00 5.20 3.38 -0.59 -3.29 115.31 120.87 3ith h LEU 551 Ca 0.42 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3ith h LEU 551 Cb 0.63 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3ith h LEU 551 CO -0.90 1.01 -1.36 0.55 0.09 0.00 0.00 178.44 177.83 3ith n VAL 552 N -4.14 0.06 -1.52 1.22 3.14 -0.05 -4.01 118.33 113.03 3ith n VAL 552 Ca 0.01 -0.26 -0.31 0.00 -2.96 0.00 0.00 64.34 60.82 3ith n VAL 552 Cb 0.41 0.38 0.07 0.00 -1.06 0.00 0.00 33.84 33.64 3ith n VAL 552 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 3ith n SER 553 N -1.93 6.75 -0.56 6.55 3.41 0.37 -4.37 113.62 123.84 3ith n SER 553 Ca 0.00 -3.78 0.00 0.00 -0.26 0.00 0.00 58.87 54.84 3ith n SER 553 Cb 0.45 -0.79 0.03 0.00 -0.26 0.00 0.00 64.21 63.64 3ith n SER 553 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ith n ALA 554 N -0.87 2.59 -1.99 7.33 0.00 -1.26 -2.64 120.51 123.67 3ith n ALA 554 Ca 0.57 -0.12 -0.30 0.00 0.00 0.00 0.00 53.44 53.59 3ith n ALA 554 Cb 0.78 -1.01 0.03 0.00 0.00 0.00 0.00 19.45 19.25 3ith n ALA 554 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ith n GLY 555 N 0.07 6.03 3.64 0.00 0.00 -1.26 -5.15 105.19 108.51 3ith n GLY 555 Ca 0.02 -2.59 0.00 0.00 0.00 0.00 0.00 46.02 43.45 3ith n GLY 555 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71