#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ith n ILE 2 N 0.00 1.84 -2.21 4.25 -5.35 -1.26 -4.84 119.36 111.79 3ith n ILE 2 Ca 0.00 -0.42 -0.43 0.00 -0.27 0.00 0.00 62.75 61.63 3ith n ILE 2 Cb 0.00 -0.71 -0.02 0.00 -1.74 0.00 0.00 39.64 37.17 3ith n ILE 2 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3ith s SER 3 N -1.39 6.29 0.00 7.28 1.04 -1.25 -4.86 113.70 120.81 3ith s SER 3 Ca 0.66 1.22 0.00 0.00 0.48 0.00 0.00 55.95 58.31 3ith s SER 3 Cb -0.37 -2.53 0.01 0.00 0.10 0.00 0.00 66.02 63.22 3ith s SER 3 CO 0.58 -1.40 0.21 -2.65 0.98 0.00 0.00 173.24 170.96 3ith n PRO 4 N 7.93 0.19 -2.08 4.02 -0.02 -1.26 -4.59 135.00 139.20 3ith n PRO 4 Ca 0.18 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.23 3ith n PRO 4 Cb 0.47 -1.01 -0.03 0.00 -0.02 0.00 0.00 33.50 32.91 3ith n PRO 4 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3ith s ILE 5 N -2.00 3.58 1.13 4.25 1.09 -1.26 -4.95 121.20 123.04 3ith s ILE 5 Ca 0.00 0.59 -0.15 0.00 -1.10 0.00 0.00 60.65 59.99 3ith s ILE 5 Cb 0.00 -3.76 0.18 0.00 -1.06 0.00 0.00 42.46 37.82 3ith s ILE 5 CO 0.00 -0.47 0.50 -0.62 -0.10 0.00 0.00 174.94 174.25 3ith n GLU 6 N 8.31 -1.86 -3.29 2.79 1.02 -1.26 -4.81 120.64 121.53 3ith n GLU 6 Ca 0.21 -0.52 -0.22 0.00 -0.02 0.00 0.00 57.16 56.62 3ith n GLU 6 Cb 0.47 -1.93 0.05 0.00 -0.02 0.00 0.00 31.44 30.00 3ith n GLU 6 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3ith n THR 7 N -4.61 0.00 -3.63 2.62 -2.24 -1.26 -5.01 114.28 100.14 3ith n THR 7 Ca 0.02 -2.05 -0.38 0.00 -2.27 0.00 0.00 64.05 59.37 3ith n THR 7 Cb 0.58 -0.35 -0.11 0.00 -2.10 0.00 0.00 70.33 68.35 3ith n THR 7 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3ith s VAL 8 N -2.70 4.91 0.08 2.28 1.01 -1.26 -4.96 120.40 119.76 3ith s VAL 8 Ca 0.52 -0.09 -0.31 0.00 0.00 0.00 0.00 61.98 62.09 3ith s VAL 8 Cb -0.04 -3.39 -0.11 0.00 0.00 0.00 0.00 36.38 32.84 3ith s VAL 8 CO 0.33 0.19 1.86 -0.81 0.00 0.00 0.00 175.10 176.68 3ith n PRO 9 N 5.02 2.71 -4.38 2.72 -0.04 -1.26 -4.26 135.00 135.50 3ith n PRO 9 Ca -0.14 0.99 -0.19 0.00 -0.04 0.00 0.00 63.50 64.12 3ith n PRO 9 Cb 0.51 -2.88 -0.15 0.00 -0.04 0.00 0.00 33.50 30.94 3ith n PRO 9 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3ith s VAL 10 N 3.21 0.72 0.04 0.52 1.01 -1.26 -5.10 120.40 119.55 3ith s VAL 10 Ca 0.85 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.46 3ith s VAL 10 Cb -0.51 -0.61 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 3ith s VAL 10 CO 0.40 0.21 -0.08 -0.54 0.00 0.00 0.00 175.10 175.08 3ith s LYS 11 N -0.20 0.56 0.71 2.72 1.02 -1.26 -4.68 119.74 118.61 3ith s LYS 11 Ca 0.03 -0.72 -0.16 0.00 0.02 0.00 0.00 55.97 55.15 3ith s LYS 11 Cb -0.04 -0.37 0.03 0.00 -0.52 0.00 0.00 37.83 36.93 3ith s LYS 11 CO -0.00 0.07 1.24 -0.51 -0.92 0.00 0.00 175.35 175.24 3ith s LEU 12 N -1.43 3.39 0.27 3.17 1.43 -1.26 -2.59 118.68 121.65 3ith s LEU 12 Ca -0.08 2.48 -0.29 0.00 -1.03 0.00 0.00 54.13 55.21 3ith s LEU 12 Cb -0.09 -4.60 -0.14 0.00 0.03 0.00 0.00 46.19 41.39 3ith s LEU 12 CO 0.01 -2.25 1.14 0.29 0.23 0.00 0.00 176.35 175.77 3ith n LYS 13 N -2.50 1.55 -1.59 1.70 5.02 -0.70 -4.57 118.16 117.08 3ith n LYS 13 Ca 0.14 0.55 -0.59 0.00 -2.02 0.00 0.00 58.31 56.39 3ith n LYS 13 Cb 0.49 -2.02 -0.08 0.00 -0.02 0.00 0.00 35.03 33.41 3ith n LYS 13 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3ith n PRO 14 N 1.08 0.31 -0.98 1.97 -0.04 -1.26 -1.78 135.00 134.31 3ith n PRO 14 Ca 0.10 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 3ith n PRO 14 Cb 0.31 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 3ith n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ith n GLY 15 N 2.43 0.91 3.91 0.55 0.00 -1.26 -5.00 105.19 106.73 3ith n GLY 15 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.06 3.58 0.22 1.61 -1.94 -0.73 -5.12 119.30 116.87 3ith s MET 16 Ca 0.00 -0.18 0.03 0.00 -1.71 0.00 0.00 55.69 53.84 3ith s MET 16 Cb 0.00 -2.80 0.04 0.00 2.01 0.00 0.00 34.83 34.07 3ith s MET 16 CO 0.00 0.39 0.31 -3.47 -0.01 0.00 0.00 175.02 172.24 3ith n ASP 17 N -0.42 0.77 -4.90 3.03 2.03 -1.26 -4.82 116.55 110.98 3ith n ASP 17 Ca -0.03 -1.57 -0.29 0.00 0.52 0.00 0.00 54.79 53.42 3ith n ASP 17 Cb 0.53 -0.17 0.09 0.00 -0.72 0.00 0.00 41.12 40.85 3ith n ASP 17 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3ith s GLY 18 N -3.03 1.59 0.40 0.27 0.00 -1.26 -4.96 107.32 100.34 3ith s GLY 18 Ca 0.23 -0.63 -0.25 0.00 0.00 0.00 0.00 44.72 44.07 3ith s GLY 18 CO 0.15 -0.15 1.22 2.56 0.00 0.00 0.00 173.10 176.88 3ith s PRO 19 N -5.56 4.01 -0.44 2.90 0.04 -1.26 -4.95 135.00 129.73 3ith s PRO 19 Ca 0.62 1.96 0.10 0.00 0.04 0.00 0.00 61.00 63.71 3ith s PRO 19 Cb -0.11 -2.70 0.37 0.00 0.04 0.00 0.00 34.50 32.10 3ith s PRO 19 CO 0.49 -0.40 0.88 1.63 0.04 0.00 0.00 177.00 179.64 3ith n LYS 20 N 0.08 2.03 -3.24 4.56 5.02 -1.25 -1.15 118.16 124.22 3ith n LYS 20 Ca 0.04 -3.99 -0.39 0.00 -2.02 0.00 0.00 58.31 51.96 3ith n LYS 20 Cb 0.45 -1.88 -0.06 0.00 -0.02 0.00 0.00 35.03 33.52 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 -3.56 4.99 0.11 -0.18 1.01 -0.81 -4.84 120.40 117.12 3ith s VAL 21 Ca 0.42 1.17 -0.30 0.00 0.00 0.00 0.00 61.98 63.27 3ith s VAL 21 Cb 0.35 -3.90 -0.06 0.00 0.00 0.00 0.00 36.38 32.77 3ith s VAL 21 CO -0.10 0.39 1.00 -0.54 0.00 0.00 0.00 175.10 175.85 3ith s LYS 22 N 0.02 4.66 0.13 2.72 -0.14 -1.26 -3.99 119.74 121.87 3ith s LYS 22 Ca 0.30 1.51 -0.31 0.00 -1.36 0.00 0.00 55.97 56.11 3ith s LYS 22 Cb -0.17 -3.37 -0.08 0.00 -1.68 0.00 0.00 37.83 32.53 3ith s LYS 22 CO 0.15 0.15 1.31 -1.14 -0.76 0.00 0.00 175.35 175.07 3ith s GLN 23 N 0.07 4.37 0.51 1.68 2.00 -1.26 -4.71 119.66 122.32 3ith s GLN 23 Ca 0.48 1.99 -0.07 0.00 -2.00 0.00 0.00 55.36 55.76 3ith s GLN 23 Cb -0.24 -3.25 -0.04 0.00 0.80 0.00 0.00 33.01 30.27 3ith s GLN 23 CO 0.30 -0.33 0.84 1.67 -0.50 0.00 0.00 175.29 177.28 3ith s TRP 24 N 0.76 3.57 0.32 1.67 -2.14 -1.26 -5.02 118.94 116.84 3ith s TRP 24 Ca 0.60 0.95 -0.29 0.00 2.66 0.00 0.00 56.10 60.03 3ith s TRP 24 Cb -0.35 -2.42 -0.11 0.00 -3.10 0.00 0.00 33.47 27.50 3ith s TRP 24 CO 0.32 -0.36 1.46 -1.25 -2.66 0.00 0.00 176.95 174.46 3ith s PRO 25 N -4.76 4.20 0.33 3.25 0.04 -1.26 -4.96 135.00 131.84 3ith s PRO 25 Ca 0.50 2.44 0.08 0.00 0.04 0.00 0.00 61.00 64.06 3ith s PRO 25 Cb -0.10 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.37 3ith s PRO 25 CO 0.46 -0.46 0.20 -0.51 0.04 0.00 0.00 177.00 176.73 3ith s LEU 26 N -1.31 3.41 0.76 -3.56 1.43 -1.26 -5.14 118.68 113.01 3ith s LEU 26 Ca 0.56 -0.64 -0.12 0.00 -1.03 0.00 0.00 54.13 52.90 3ith s LEU 26 Cb -0.44 -1.95 0.04 0.00 0.03 0.00 0.00 46.19 43.87 3ith s LEU 26 CO 0.53 -0.30 1.12 0.42 0.23 0.00 0.00 176.35 178.35 3ith s THR 27 N -2.36 2.98 0.12 5.49 -4.23 -1.26 -4.86 115.64 111.52 3ith s THR 27 Ca 0.39 0.32 -0.22 0.00 -1.18 0.00 0.00 61.69 61.00 3ith s THR 27 Cb -0.04 -3.27 -0.06 0.00 1.34 0.00 0.00 72.50 70.47 3ith s THR 27 CO 0.24 -0.42 1.70 -0.08 -0.54 0.00 0.00 174.62 175.52 3ith h GLU 28 N -0.86 -0.09 -0.86 3.99 4.81 -2.00 -0.33 114.58 119.23 3ith h GLU 28 Ca -0.46 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 58.86 3ith h GLU 28 Cb 1.28 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.62 3ith h GLU 28 CO 0.64 -0.06 0.56 1.49 -0.73 0.00 0.00 179.01 180.91 3ith h GLU 29 N -0.09 0.87 0.36 1.92 4.81 -1.98 0.94 114.58 121.40 3ith h GLU 29 Ca 0.07 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 3ith h GLU 29 Cb 0.19 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.37 3ith h GLU 29 CO -0.15 0.57 -0.17 0.87 -0.73 0.00 0.00 179.01 179.40 3ith h LYS 30 N 0.89 -0.46 -1.03 1.92 1.57 -1.85 -2.43 116.57 115.18 3ith h LYS 30 Ca 0.39 0.03 0.26 0.00 -1.87 0.00 0.00 60.65 59.46 3ith h LYS 30 Cb 0.33 0.10 -0.11 0.00 0.08 0.00 0.00 32.23 32.64 3ith h LYS 30 CO -0.15 -0.16 0.64 0.82 -0.57 0.00 0.00 179.45 180.02 3ith h ILE 31 N -0.99 0.51 -0.34 1.86 2.04 -0.08 0.75 117.51 121.26 3ith h ILE 31 Ca -0.05 -0.16 -0.12 0.00 1.00 0.00 0.00 64.86 65.53 3ith h ILE 31 Cb 0.51 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 3ith h ILE 31 CO 0.08 0.09 -0.25 0.11 0.00 0.00 0.00 178.15 178.18 3ith h LYS 32 N 0.48 0.77 -0.08 2.37 1.57 0.90 -2.52 116.57 120.05 3ith h LYS 32 Ca 0.63 -0.37 -0.08 0.00 -1.87 0.00 0.00 60.65 58.96 3ith h LYS 32 Cb 1.41 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.71 3ith h LYS 32 CO -0.40 1.00 -0.30 0.00 -0.57 0.00 0.00 179.45 179.17 3ith h ALA 33 N 0.75 1.35 0.00 3.86 0.00 -0.43 -2.86 119.26 121.94 3ith h ALA 33 Ca 0.06 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 3ith h ALA 33 Cb 0.81 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3ith h ALA 33 CO 0.07 0.46 -0.63 -0.07 0.00 0.00 0.00 179.25 179.07 3ith h LEU 34 N 0.13 0.00 0.04 0.00 3.38 -0.92 -2.61 115.31 115.33 3ith h LEU 34 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3ith h LEU 34 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3ith h LEU 34 CO 0.04 0.63 -0.02 0.58 0.09 0.00 0.00 178.44 179.77 3ith h VAL 35 N 0.00 1.23 0.12 1.22 2.07 -1.24 -0.49 116.25 119.16 3ith h VAL 35 Ca -0.01 -0.90 0.01 0.00 0.82 0.00 0.00 66.70 66.63 3ith h VAL 35 Cb 1.25 1.82 -0.05 0.00 -1.52 0.00 0.00 31.29 32.79 3ith h VAL 35 CO 0.08 0.23 -0.52 -0.08 0.02 0.00 0.00 177.57 177.29 3ith h GLU 36 N -0.45 -0.72 -0.74 1.57 4.81 -1.59 0.93 114.58 118.39 3ith h GLU 36 Ca -0.01 0.05 0.15 0.00 -0.13 0.00 0.00 59.36 59.42 3ith h GLU 36 Cb 0.41 0.16 -0.10 0.00 0.63 0.00 0.00 28.75 29.86 3ith h GLU 36 CO 0.01 -0.48 0.24 0.82 -0.73 0.00 0.00 179.01 178.87 3ith h ILE 37 N -0.75 0.59 0.11 2.32 2.04 -1.47 -2.69 117.51 117.66 3ith h ILE 37 Ca -0.00 -0.12 -0.28 0.00 1.00 0.00 0.00 64.86 65.45 3ith h ILE 37 Cb 0.76 0.21 0.02 0.00 -0.74 0.00 0.00 36.82 37.06 3ith h ILE 37 CO -0.29 0.06 -1.20 0.00 0.00 0.00 0.00 178.15 176.73 3ith h THR 39 N 0.19 0.42 -0.74 0.00 2.02 -0.63 0.32 112.91 114.48 3ith h THR 39 Ca -0.16 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 3ith h THR 39 Cb 1.89 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 68.68 3ith h THR 39 CO 0.22 0.00 0.35 -0.33 0.37 0.00 0.00 175.52 176.13 3ith h GLU 40 N -0.03 1.08 -0.02 6.66 4.39 -1.46 -1.46 114.58 123.73 3ith h GLU 40 Ca 0.25 -0.16 -0.11 0.00 0.34 0.00 0.00 59.36 59.68 3ith h GLU 40 Cb 0.42 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 3ith h GLU 40 CO -0.57 0.84 -0.51 0.52 -1.16 0.00 0.00 179.01 178.14 3ith h MET 41 N 1.05 0.05 0.24 2.33 2.86 -0.81 -0.62 114.93 120.02 3ith h MET 41 Ca 0.26 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.85 3ith h MET 41 Cb 0.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.79 3ith h MET 41 CO -0.03 0.55 -0.12 1.49 1.06 0.00 0.00 176.91 179.86 3ith h GLU 42 N 0.04 -0.31 -0.70 1.72 4.81 0.07 0.12 114.58 120.34 3ith h GLU 42 Ca -0.00 0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.40 3ith h GLU 42 Cb 0.91 0.07 -0.12 0.00 0.63 0.00 0.00 28.75 30.24 3ith h GLU 42 CO 0.07 0.05 0.03 0.87 -0.73 0.00 0.00 179.01 179.30 3ith h LYS 43 N -0.77 0.13 0.00 1.92 1.57 -1.30 0.16 116.57 118.29 3ith h LYS 43 Ca -0.03 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3ith h LYS 43 Cb 0.50 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3ith h LYS 43 CO 0.05 0.09 0.00 0.39 -0.57 0.00 0.00 179.45 179.41 3ith n GLU 44 N -5.29 0.73 -1.09 3.15 1.02 -0.24 -4.84 120.64 114.09 3ith n GLU 44 Ca 0.12 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.23 3ith n GLU 44 Cb 0.42 -1.45 -0.01 0.00 -0.02 0.00 0.00 31.44 30.38 3ith n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ith n GLY 45 N 0.44 0.56 0.08 0.62 0.00 0.58 -4.90 105.19 102.58 3ith n GLY 45 Ca 0.16 -0.25 -0.05 0.00 0.00 0.00 0.00 46.02 45.88 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 0.39 0.00 -5.28 1.61 1.79 -1.00 -3.45 116.57 110.63 3ith h LYS 46 Ca -0.06 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 58.03 3ith h LYS 46 Cb 0.44 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 30.92 3ith h LYS 46 CO 0.09 0.82 -0.74 0.96 -1.08 0.00 0.00 179.45 179.50 3ith s ILE 47 N -2.76 1.27 -0.05 1.86 -4.36 -1.08 -1.36 121.20 114.73 3ith s ILE 47 Ca 0.01 -1.82 0.03 0.00 -0.26 0.00 0.00 60.65 58.60 3ith s ILE 47 Cb 0.09 -1.62 0.01 0.00 1.25 0.00 0.00 42.46 42.20 3ith s ILE 47 CO 0.81 -0.53 -0.11 -0.44 0.24 0.00 0.00 174.94 174.90 3ith s SER 48 N -2.68 1.60 0.61 4.36 0.01 -0.67 -4.28 113.70 112.65 3ith s SER 48 Ca 0.11 -0.26 -0.18 0.00 1.31 0.00 0.00 55.95 56.93 3ith s SER 48 Cb -0.03 -0.63 -0.05 0.00 0.21 0.00 0.00 66.02 65.53 3ith s SER 48 CO 0.02 0.05 0.87 0.29 0.41 0.00 0.00 173.24 174.88 3ith n LYS 49 N 3.60 0.76 -3.17 12.44 5.02 -1.26 -1.63 118.16 133.92 3ith n LYS 49 Ca -0.21 0.30 -0.11 0.00 -2.02 0.00 0.00 58.31 56.27 3ith n LYS 49 Cb 0.52 -2.08 -0.04 0.00 -0.02 0.00 0.00 35.03 33.42 3ith n LYS 49 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3ith n ILE 50 N -1.84 0.00 -4.11 -0.18 -5.35 0.36 -4.83 119.36 103.41 3ith n ILE 50 Ca 0.13 -1.24 -0.05 0.00 -0.27 0.00 0.00 62.75 61.32 3ith n ILE 50 Cb 0.48 0.57 -0.01 0.00 -1.74 0.00 0.00 39.64 38.93 3ith n ILE 50 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ith n GLY 51 N -0.01 3.94 0.01 3.28 0.00 -1.26 -4.63 105.19 106.52 3ith n GLY 51 Ca 0.02 -1.99 0.06 0.00 0.00 0.00 0.00 46.02 44.11 3ith n GLY 51 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ith n PRO 52 N -0.20 0.02 0.00 1.61 -0.04 -1.26 -3.14 135.00 131.99 3ith n PRO 52 Ca -0.02 0.31 0.15 0.00 -0.04 0.00 0.00 63.50 63.90 3ith n PRO 52 Cb 0.13 -1.54 0.71 0.00 -0.04 0.00 0.00 33.50 32.76 3ith n PRO 52 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3ith n GLU 53 N -1.58 0.67 -3.44 0.54 0.00 -1.26 -4.34 120.64 111.23 3ith n GLU 53 Ca 0.03 -0.14 -0.43 0.00 0.00 0.00 0.00 57.16 56.62 3ith n GLU 53 Cb 0.15 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 30.01 3ith n GLU 53 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 3ith s ASN 54 N -2.43 5.96 0.00 -1.84 3.84 -1.19 -4.96 114.94 114.33 3ith s ASN 54 Ca 0.32 -1.62 0.22 0.00 0.21 0.00 0.00 52.86 51.99 3ith s ASN 54 Cb 0.20 -2.12 1.18 0.00 -0.55 0.00 0.00 41.25 39.97 3ith s ASN 54 CO 0.45 -0.70 1.73 -0.81 -2.79 0.00 0.00 177.10 174.98 3ith n PRO 55 N 5.10 0.40 -3.69 0.43 -0.04 -1.26 -4.87 135.00 131.07 3ith n PRO 55 Ca -0.11 0.06 -0.32 0.00 -0.04 0.00 0.00 63.50 63.08 3ith n PRO 55 Cb 0.42 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.33 3ith n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3ith s TYR 56 N -2.45 3.51 0.05 0.54 2.02 -1.26 -4.78 117.35 114.97 3ith s TYR 56 Ca 0.24 0.57 -0.13 0.00 -0.37 0.00 0.00 57.07 57.38 3ith s TYR 56 Cb 0.15 -2.01 0.02 0.00 -0.40 0.00 0.00 41.96 39.72 3ith s TYR 56 CO 0.32 0.48 0.29 1.21 -1.57 0.00 0.00 175.55 176.28 3ith s ASN 57 N -2.23 -0.09 -0.03 2.29 3.84 -0.30 -4.52 114.94 113.90 3ith s ASN 57 Ca 0.37 -0.25 -0.03 0.00 0.21 0.00 0.00 52.86 53.16 3ith s ASN 57 Cb -0.13 0.35 0.01 0.00 -0.55 0.00 0.00 41.25 40.94 3ith s ASN 57 CO 0.23 -0.63 0.09 -0.89 -2.79 0.00 0.00 177.10 173.11 3ith s THR 58 N -2.71 0.01 0.79 -5.21 2.01 -0.85 -1.93 115.64 107.75 3ith s THR 58 Ca -0.04 -0.06 -0.13 0.00 0.31 0.00 0.00 61.69 61.78 3ith s THR 58 Cb -0.00 -0.16 0.07 0.00 0.01 0.00 0.00 72.50 72.43 3ith s THR 58 CO -0.04 -0.03 1.16 -2.84 -0.69 0.00 0.00 174.62 172.17 3ith s PRO 59 N -0.06 1.85 0.02 4.92 0.02 -1.26 -4.17 135.00 136.30 3ith s PRO 59 Ca -0.01 1.56 0.01 0.00 0.02 0.00 0.00 61.00 62.57 3ith s PRO 59 Cb -0.01 -1.82 -0.01 0.00 0.02 0.00 0.00 34.50 32.68 3ith s PRO 59 CO 0.00 -2.02 -0.04 0.54 -0.33 0.00 0.00 177.00 175.15 3ith s VAL 60 N -2.40 0.29 0.02 3.83 0.11 -1.26 -2.72 120.40 118.27 3ith s VAL 60 Ca 0.69 -0.57 -0.01 0.00 -2.93 0.00 0.00 61.98 59.16 3ith s VAL 60 Cb -0.24 -0.33 0.00 0.00 -1.53 0.00 0.00 36.38 34.28 3ith s VAL 60 CO 0.51 -0.19 0.04 2.22 -3.33 0.00 0.00 175.10 174.35 3ith n PHE 61 N 2.25 -1.03 -4.17 1.54 -1.74 -0.62 -4.87 117.46 108.82 3ith n PHE 61 Ca -0.18 -0.10 -0.17 0.00 -0.56 0.00 0.00 57.45 56.44 3ith n PHE 61 Cb 0.57 0.05 -0.12 0.00 1.52 0.00 0.00 39.48 41.49 3ith n PHE 61 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3ith s ALA 62 N -1.10 0.91 0.36 1.98 0.00 -1.26 -0.68 121.76 121.96 3ith s ALA 62 Ca 0.01 -0.82 0.07 0.00 0.00 0.00 0.00 51.96 51.22 3ith s ALA 62 Cb -0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 3ith s ALA 62 CO 0.01 0.11 0.25 0.44 0.00 0.00 0.00 175.76 176.56 3ith n ILE 63 N 1.61 0.00 -3.79 0.00 -5.35 -1.12 -4.97 119.36 105.74 3ith n ILE 63 Ca -0.20 -2.45 -0.27 0.00 -0.27 0.00 0.00 62.75 59.56 3ith n ILE 63 Cb 0.55 1.13 -0.17 0.00 -1.74 0.00 0.00 39.64 39.41 3ith n ILE 63 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3ith s LYS 64 N -3.43 0.90 0.00 6.28 1.02 -1.26 -1.51 119.74 121.73 3ith s LYS 64 Ca 0.35 -0.36 0.00 0.00 0.02 0.00 0.00 55.97 55.98 3ith s LYS 64 Cb 0.02 -1.87 0.00 0.00 -0.52 0.00 0.00 37.83 35.46 3ith s LYS 64 CO 0.25 -0.51 0.00 1.63 -0.92 0.00 0.00 175.35 175.79 3ith n LYS 65 N 5.01 0.00 -1.39 1.68 5.02 -1.26 -4.48 118.16 122.74 3ith n LYS 65 Ca -0.09 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.05 3ith n LYS 65 Cb 0.48 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.34 3ith n LYS 65 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3ith n LYS 66 N 0.00 0.08 -2.23 1.97 4.01 -1.26 -0.81 118.16 119.92 3ith n LYS 66 Ca 0.00 -0.22 -0.12 0.00 -0.51 0.00 0.00 58.31 57.46 3ith n LYS 66 Cb 0.00 -1.56 -0.01 0.00 -0.51 0.00 0.00 35.03 32.96 3ith n LYS 66 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 3ith n ASP 67 N 8.01 -3.84 -0.56 4.39 8.00 -1.26 -2.99 116.55 128.30 3ith n ASP 67 Ca 0.47 -0.01 -0.07 0.00 0.71 0.00 0.00 54.79 55.88 3ith n ASP 67 Cb 0.29 -3.05 -0.03 0.00 -0.02 0.00 0.00 41.12 38.31 3ith n ASP 67 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3ith n SER 68 N -0.30 -4.08 0.00 -2.24 2.88 0.01 -4.99 113.62 104.90 3ith n SER 68 Ca -0.14 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 3ith n SER 68 Cb 0.61 -2.22 0.00 0.00 -0.75 0.00 0.00 64.21 61.84 3ith n SER 68 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 3ith n THR 69 N -2.72 0.00 -4.02 2.46 5.66 -1.16 -4.90 114.28 109.59 3ith n THR 69 Ca -0.07 0.11 -0.11 0.00 -3.05 0.00 0.00 64.05 60.93 3ith n THR 69 Cb 0.27 -0.62 -0.11 0.00 -1.55 0.00 0.00 70.33 68.33 3ith n THR 69 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3ith s LYS 70 N 0.00 0.42 -0.16 1.09 1.02 -1.26 -5.06 119.74 115.78 3ith s LYS 70 Ca 0.00 -0.70 -0.38 0.00 0.02 0.00 0.00 55.97 54.91 3ith s LYS 70 Cb 0.00 -0.07 -0.15 0.00 -0.52 0.00 0.00 37.83 37.09 3ith s LYS 70 CO 0.00 -0.01 1.70 0.91 -0.92 0.00 0.00 175.35 177.03 3ith n TRP 71 N 1.48 2.03 -3.30 3.18 7.02 -1.26 -4.74 117.44 121.85 3ith n TRP 71 Ca -0.23 0.43 -0.19 0.00 -1.02 0.00 0.00 57.50 56.49 3ith n TRP 71 Cb 0.55 -2.48 0.00 0.00 -2.42 0.00 0.00 31.31 26.96 3ith n TRP 71 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 3ith s ARG 72 N 3.05 3.04 -0.07 -0.99 3.52 -0.57 -4.98 118.95 121.95 3ith s ARG 72 Ca 0.94 -0.98 0.02 0.00 -0.13 0.00 0.00 55.73 55.59 3ith s ARG 72 Cb -0.96 -2.77 -0.02 0.00 -1.56 0.00 0.00 34.95 29.64 3ith s ARG 72 CO 0.59 -0.06 -0.12 0.21 -0.81 0.00 0.00 175.30 175.11 3ith s LYS 73 N -4.27 2.77 -0.10 5.12 2.20 -1.26 -2.80 119.74 121.40 3ith s LYS 73 Ca 0.47 -0.65 -0.01 0.00 -0.36 0.00 0.00 55.97 55.42 3ith s LYS 73 Cb -0.10 -2.50 0.03 0.00 -1.51 0.00 0.00 37.83 33.76 3ith s LYS 73 CO 0.33 0.54 -0.02 -1.17 -0.36 0.00 0.00 175.35 174.67 3ith s LEU 74 N -0.50 0.83 -0.20 5.43 2.96 0.14 -4.95 118.68 122.39 3ith s LEU 74 Ca 0.07 -0.24 -0.10 0.00 -0.22 0.00 0.00 54.13 53.64 3ith s LEU 74 Cb -0.12 -0.57 -0.05 0.00 0.50 0.00 0.00 46.19 45.95 3ith s LEU 74 CO 0.02 -0.19 0.15 -0.69 -1.32 0.00 0.00 176.35 174.32 3ith s VAL 75 N 1.88 5.39 -1.22 1.68 1.01 -1.26 -1.60 120.40 126.29 3ith s VAL 75 Ca 0.04 0.22 -0.15 0.00 0.00 0.00 0.00 61.98 62.10 3ith s VAL 75 Cb -0.13 -3.49 0.15 0.00 0.00 0.00 0.00 36.38 32.91 3ith s VAL 75 CO -0.06 0.42 1.48 -0.62 0.00 0.00 0.00 175.10 176.32 3ith s ASP 76 N 0.49 7.03 -0.01 3.32 2.15 -1.10 -4.80 116.67 123.74 3ith s ASP 76 Ca 0.09 -2.89 0.02 0.00 0.43 0.00 0.00 52.55 50.19 3ith s ASP 76 Cb -0.12 -2.43 0.06 0.00 -0.30 0.00 0.00 42.92 40.14 3ith s ASP 76 CO -0.00 -0.82 0.81 0.49 -0.17 0.00 0.00 175.17 175.47 3ith n PHE 77 N 6.14 0.14 -0.19 -5.34 3.72 -1.26 -4.37 117.46 116.29 3ith n PHE 77 Ca 0.39 -0.05 -0.01 0.00 -0.05 0.00 0.00 57.45 57.72 3ith n PHE 77 Cb 0.43 -0.07 0.06 0.00 -0.94 0.00 0.00 39.48 38.96 3ith n PHE 77 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ith h ARG 78 N 0.36 0.02 -0.57 -1.08 3.08 -1.88 -0.00 114.38 114.30 3ith h ARG 78 Ca 0.00 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3ith h ARG 78 Cb 0.38 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 3ith h ARG 78 CO 0.02 0.01 0.31 1.49 -1.07 0.00 0.00 179.97 180.73 3ith h GLU 79 N 0.02 0.80 0.00 0.04 4.57 -2.00 -2.53 114.58 115.48 3ith h GLU 79 Ca 0.28 -0.10 -0.07 0.00 -1.18 0.00 0.00 59.36 58.30 3ith h GLU 79 Cb 0.44 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 3ith h GLU 79 CO -0.58 0.62 -0.32 1.25 -1.18 0.00 0.00 179.01 178.80 3ith h LEU 80 N 0.77 0.00 -0.32 1.64 5.85 -1.49 -2.96 115.31 118.81 3ith h LEU 80 Ca 0.20 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.72 3ith h LEU 80 Cb 0.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.09 3ith h LEU 80 CO -0.03 0.32 -0.75 0.78 -0.34 0.00 0.00 178.44 178.42 3ith h ASN 81 N 0.00 0.63 0.00 1.25 2.35 -0.75 -2.47 115.58 116.59 3ith h ASN 81 Ca -0.00 -0.42 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 3ith h ASN 81 Cb 0.57 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.75 3ith h ASN 81 CO 0.04 1.18 0.00 0.29 -1.65 0.00 0.00 177.43 177.29 3ith n LYS 82 N -3.87 0.50 0.00 0.81 5.02 -0.98 -2.86 118.16 116.78 3ith n LYS 82 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 3ith n LYS 82 Cb 0.72 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.26 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 -0.98 1.54 -3.83 1.97 1.74 -1.03 -4.97 116.66 111.11 3ith n ARG 83 Ca 0.11 -1.04 -0.35 0.00 -0.77 0.00 0.00 57.85 55.81 3ith n ARG 83 Cb 0.05 -0.86 -0.09 0.00 -1.02 0.00 0.00 32.46 30.55 3ith n ARG 83 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3ith s THR 84 N -0.57 5.18 0.22 0.55 2.01 -0.96 -1.72 115.64 120.36 3ith s THR 84 Ca 0.00 0.11 -0.31 0.00 0.31 0.00 0.00 61.69 61.79 3ith s THR 84 Cb 0.00 -3.36 -0.14 0.00 0.01 0.00 0.00 72.50 69.01 3ith s THR 84 CO 0.00 0.44 1.28 1.67 -0.69 0.00 0.00 174.62 177.33 3ith n GLN 85 N 3.56 1.67 -1.82 4.92 -0.06 -1.07 -4.61 117.38 119.97 3ith n GLN 85 Ca -0.16 0.59 -0.41 0.00 -2.00 0.00 0.00 57.00 55.02 3ith n GLN 85 Cb 0.52 -2.17 -0.01 0.00 -4.06 0.00 0.00 30.24 24.53 3ith n GLN 85 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 3ith s ASP 86 N 0.09 6.39 -1.16 1.69 1.01 -1.26 -4.93 116.67 118.50 3ith s ASP 86 Ca 0.69 2.97 -0.10 0.00 0.71 0.00 0.00 52.55 56.82 3ith s ASP 86 Cb -0.72 -2.65 0.24 0.00 1.01 0.00 0.00 42.92 40.79 3ith s ASP 86 CO 0.52 -0.86 1.37 0.49 0.21 0.00 0.00 175.17 176.90 3ith n PHE 87 N 1.31 4.44 0.00 4.23 3.01 -1.26 -4.86 117.46 124.32 3ith n PHE 87 Ca 0.04 -3.40 0.00 0.00 1.01 0.00 0.00 57.45 55.11 3ith n PHE 87 Cb 0.39 -1.82 0.00 0.00 -0.01 0.00 0.00 39.48 38.03 3ith n PHE 87 CO 0.00 0.00 0.00 -2.67 1.01 0.00 0.00 176.76 175.10 3ith n TRP 88 N 3.57 0.00 -0.22 1.38 -0.00 -1.26 -3.41 117.44 117.50 3ith n TRP 88 Ca 0.30 0.00 0.09 0.00 -0.00 0.00 0.00 57.50 57.89 3ith n TRP 88 Cb 0.39 -0.23 0.17 0.00 -0.00 0.00 0.00 31.31 31.64 3ith n TRP 88 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 177.69 176.84 3ith n GLU 89 N -1.19 -0.05 0.14 -2.67 -0.00 -1.26 -4.44 120.64 111.18 3ith n GLU 89 Ca 0.00 0.93 0.00 0.00 -0.00 0.00 0.00 57.16 58.09 3ith n GLU 89 Cb 0.15 -1.47 0.00 0.00 -0.00 0.00 0.00 31.44 30.12 3ith n GLU 89 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 3ith n VAL 90 N -4.82 0.00 0.00 3.84 0.31 -1.22 -5.09 118.33 111.35 3ith n VAL 90 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 3ith n VAL 90 Cb 0.46 -0.09 0.00 0.00 -0.91 0.00 0.00 33.84 33.30 3ith n VAL 90 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ith n GLN 91 N -3.15 0.00 -1.38 5.55 10.64 -1.26 -5.01 117.38 122.77 3ith n GLN 91 Ca 0.00 0.00 -0.39 0.00 -1.83 0.00 0.00 57.00 54.78 3ith n GLN 91 Cb 0.00 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.36 3ith n GLN 91 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 3ith n LEU 92 N 0.00 8.29 0.00 2.61 7.94 -1.26 -4.79 117.00 129.79 3ith n LEU 92 Ca 0.00 -4.28 0.00 0.00 -1.11 0.00 0.00 56.01 50.62 3ith n LEU 92 Cb 0.00 -1.57 0.00 0.00 0.53 0.00 0.00 43.42 42.38 3ith n LEU 92 CO 0.00 1.84 0.00 0.61 -1.11 0.00 0.00 177.39 178.73 3ith n GLY 93 N 3.70 -1.20 3.61 -3.96 0.00 -1.26 -4.76 105.19 101.30 3ith n GLY 93 Ca 0.73 -2.20 -0.30 0.00 0.00 0.00 0.00 46.02 44.25 3ith n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ith s ILE 94 N -0.43 2.05 -0.23 -0.61 1.01 -1.26 -4.60 121.20 117.13 3ith s ILE 94 Ca 0.00 0.02 -0.32 0.00 0.00 0.00 0.00 60.65 60.35 3ith s ILE 94 Cb 0.00 -2.04 -0.08 0.00 0.01 0.00 0.00 42.46 40.34 3ith s ILE 94 CO 0.00 -0.02 2.15 -0.81 0.00 0.00 0.00 174.94 176.26 3ith n PRO 95 N -4.50 1.74 -1.74 2.79 -0.04 -1.26 -4.80 135.00 127.19 3ith n PRO 95 Ca 0.09 0.51 -0.66 0.00 -0.04 0.00 0.00 63.50 63.40 3ith n PRO 95 Cb 0.53 -2.88 -0.10 0.00 -0.04 0.00 0.00 33.50 31.01 3ith n PRO 95 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 3ith n HIS 96 N 10.14 1.78 -1.86 0.54 -0.00 -1.26 -4.82 115.22 119.75 3ith n HIS 96 Ca 0.32 1.06 -0.43 0.00 0.46 0.00 0.00 57.72 59.14 3ith n HIS 96 Cb 0.35 -2.26 -0.03 0.00 -0.12 0.00 0.00 29.99 27.93 3ith n HIS 96 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 3ith s PRO 97 N 3.02 3.64 0.53 1.57 0.04 -1.26 -4.90 135.00 137.65 3ith s PRO 97 Ca 1.04 1.97 0.31 0.00 0.04 0.00 0.00 61.00 64.35 3ith s PRO 97 Cb -1.43 -4.17 1.36 0.00 0.04 0.00 0.00 34.50 30.29 3ith s PRO 97 CO 0.79 -1.50 1.99 0.00 0.04 0.00 0.00 177.00 178.32 3ith h ALA 98 N 12.12 1.05 -0.01 8.56 0.00 -1.94 -3.13 119.26 135.91 3ith h ALA 98 Ca -0.39 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3ith h ALA 98 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3ith h ALA 98 CO 0.98 0.10 -0.48 0.41 0.00 0.00 0.00 179.25 180.26 3ith n GLY 99 N -0.14 -0.58 0.36 0.00 0.00 -1.26 -3.78 105.19 99.79 3ith n GLY 99 Ca -0.00 -0.50 0.12 0.00 0.00 0.00 0.00 46.02 45.64 3ith n GLY 99 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ith h LEU 100 N 1.19 0.46 -1.13 0.99 5.85 -1.87 -1.68 115.31 119.12 3ith h LEU 100 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3ith h LEU 100 Cb 0.58 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.53 3ith h LEU 100 CO 0.00 0.26 0.00 0.07 -0.34 0.00 0.00 178.44 178.43 3ith h LYS 101 N 0.50 0.00 0.00 1.25 2.10 -1.77 -3.01 116.57 115.64 3ith h LYS 101 Ca 0.34 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.82 3ith h LYS 101 Cb 0.62 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.92 3ith h LYS 101 CO -0.11 0.00 -1.40 1.63 -2.00 0.00 0.00 179.45 177.57 3ith n LYS 102 N -2.36 0.62 -2.02 0.07 4.76 -0.63 -4.59 118.16 114.01 3ith n LYS 102 Ca 0.01 0.22 -0.41 0.00 -2.87 0.00 0.00 58.31 55.26 3ith n LYS 102 Cb 0.16 -1.81 -0.02 0.00 -1.84 0.00 0.00 35.03 31.52 3ith n LYS 102 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3ith s LYS 103 N -2.93 4.28 0.38 1.97 -0.14 -1.14 -4.82 119.74 117.33 3ith s LYS 103 Ca -0.03 2.29 0.16 0.00 -1.36 0.00 0.00 55.97 57.03 3ith s LYS 103 Cb 0.09 -3.11 1.03 0.00 -1.68 0.00 0.00 37.83 34.17 3ith s LYS 103 CO 0.81 -0.40 1.77 -0.22 -0.76 0.00 0.00 175.35 176.56 3ith h LYS 104 N 4.84 0.45 -4.13 1.68 3.64 -1.84 -3.38 116.57 117.82 3ith h LYS 104 Ca -0.46 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 58.76 3ith h LYS 104 Cb 1.22 -0.10 -0.14 0.00 -0.41 0.00 0.00 32.23 32.80 3ith h LYS 104 CO 0.76 0.29 -0.52 -1.54 -2.27 0.00 0.00 179.45 176.18 3ith s SER 105 N -5.30 0.25 -0.15 4.20 1.04 -1.25 -4.44 113.70 108.05 3ith s SER 105 Ca -0.09 -0.97 -0.07 0.00 0.48 0.00 0.00 55.95 55.30 3ith s SER 105 Cb 0.25 0.32 0.06 0.00 0.10 0.00 0.00 66.02 66.76 3ith s SER 105 CO 0.80 -0.74 0.34 -0.69 0.98 0.00 0.00 173.24 173.92 3ith s VAL 106 N -3.96 -0.27 0.14 5.02 1.01 -0.78 -1.69 120.40 119.87 3ith s VAL 106 Ca 0.15 0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.35 3ith s VAL 106 Cb 0.06 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 3ith s VAL 106 CO -0.04 0.07 0.05 -0.89 0.00 0.00 0.00 175.10 174.29 3ith s THR 107 N 1.90 4.13 -0.31 3.92 2.01 -0.17 -1.65 115.64 125.47 3ith s THR 107 Ca -0.05 -1.14 0.03 0.00 0.31 0.00 0.00 61.69 60.84 3ith s THR 107 Cb -0.11 -3.05 0.08 0.00 0.01 0.00 0.00 72.50 69.43 3ith s THR 107 CO -0.11 -0.03 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.08 3ith s VAL 108 N -1.60 2.26 0.22 3.82 1.01 -1.22 -0.85 120.40 124.04 3ith s VAL 108 Ca 0.28 -2.03 -0.12 0.00 0.00 0.00 0.00 61.98 60.12 3ith s VAL 108 Cb -0.10 -2.52 -0.07 0.00 0.00 0.00 0.00 36.38 33.68 3ith s VAL 108 CO 0.20 -0.35 0.58 -0.76 0.00 0.00 0.00 175.10 174.78 3ith s LEU 109 N 1.00 4.20 -0.48 3.92 1.43 0.89 -4.35 118.68 125.29 3ith s LEU 109 Ca 0.02 1.03 -0.16 0.00 -1.03 0.00 0.00 54.13 54.00 3ith s LEU 109 Cb -0.20 -3.63 0.08 0.00 0.03 0.00 0.00 46.19 42.48 3ith s LEU 109 CO -0.07 -0.04 0.42 -0.62 0.23 0.00 0.00 176.35 176.27 3ith s ASP 110 N -2.15 6.16 -0.56 2.29 -1.08 -1.26 0.13 116.67 120.20 3ith s ASP 110 Ca 0.46 -1.37 0.02 0.00 -0.52 0.00 0.00 52.55 51.14 3ith s ASP 110 Cb -0.12 -2.19 0.42 0.00 -1.46 0.00 0.00 42.92 39.56 3ith s ASP 110 CO 0.20 -0.68 1.56 1.33 0.52 0.00 0.00 175.17 178.10 3ith n VAL 111 N 5.22 2.99 1.03 1.11 0.24 0.02 -4.71 118.33 124.22 3ith n VAL 111 Ca -0.12 -4.20 0.11 0.00 -2.04 0.00 0.00 64.34 58.09 3ith n VAL 111 Cb 0.43 -1.21 0.08 0.00 -1.47 0.00 0.00 33.84 31.67 3ith n VAL 111 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ith n GLY 112 N -0.64 -0.88 0.02 7.63 0.00 -1.25 -3.52 105.19 106.56 3ith n GLY 112 Ca 0.49 -0.50 0.12 0.00 0.00 0.00 0.00 46.02 46.13 3ith n GLY 112 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ith n ASP 113 N -1.17 0.14 -0.01 1.61 8.00 -1.26 -3.72 116.55 120.13 3ith n ASP 113 Ca 0.06 0.52 -0.12 0.00 0.71 0.00 0.00 54.79 55.96 3ith n ASP 113 Cb 0.35 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 3ith n ASP 113 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ith h ALA 114 N 2.76 0.54 -0.02 2.24 0.00 -1.90 -2.98 119.26 119.89 3ith h ALA 114 Ca 0.00 -0.56 0.01 0.00 0.00 0.00 0.00 54.91 54.36 3ith h ALA 114 Cb 0.45 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3ith h ALA 114 CO 0.00 0.70 0.02 1.88 0.00 0.00 0.00 179.25 181.86 3ith h TYR 115 N 0.46 0.00 0.00 0.00 0.05 -1.80 -3.08 116.97 112.60 3ith h TYR 115 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 3ith h TYR 115 Cb 1.23 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.97 3ith h TYR 115 CO 0.06 0.00 0.00 1.19 -1.05 0.00 0.00 178.16 178.36 3ith n PHE 116 N -4.01 0.00 -0.08 4.88 3.01 -1.13 -2.54 117.46 117.59 3ith n PHE 116 Ca -0.02 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.30 3ith n PHE 116 Cb 0.11 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.54 3ith n PHE 116 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3ith n SER 117 N -0.67 1.69 -4.65 4.37 3.41 -1.16 -4.90 113.62 111.71 3ith n SER 117 Ca 0.02 0.28 -0.42 0.00 -0.26 0.00 0.00 58.87 58.49 3ith n SER 117 Cb 0.01 -0.65 -0.03 0.00 -0.26 0.00 0.00 64.21 63.28 3ith n SER 117 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3ith s VAL 118 N -2.61 3.26 0.89 -3.33 1.01 -1.05 -3.93 120.40 114.64 3ith s VAL 118 Ca -0.26 0.31 -0.12 0.00 0.00 0.00 0.00 61.98 61.92 3ith s VAL 118 Cb 0.06 -3.23 0.12 0.00 0.00 0.00 0.00 36.38 33.33 3ith s VAL 118 CO 0.36 -0.06 1.09 -2.16 0.00 0.00 0.00 175.10 174.33 3ith s PRO 119 N 4.69 1.33 -0.16 2.72 0.04 -1.26 -1.76 135.00 140.60 3ith s PRO 119 Ca 0.84 0.77 -0.02 0.00 0.04 0.00 0.00 61.00 62.62 3ith s PRO 119 Cb -0.36 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 3ith s PRO 119 CO 0.36 -2.18 -0.07 -1.17 0.04 0.00 0.00 177.00 173.97 3ith s LEU 120 N -6.17 2.99 -0.06 -3.56 2.96 -1.18 -4.54 118.68 109.12 3ith s LEU 120 Ca 0.63 -0.25 -0.14 0.00 -0.22 0.00 0.00 54.13 54.15 3ith s LEU 120 Cb -0.17 -1.71 -0.07 0.00 0.50 0.00 0.00 46.19 44.74 3ith s LEU 120 CO 0.56 0.13 0.42 -0.67 -1.32 0.00 0.00 176.35 175.47 3ith n ASP 121 N 3.77 0.15 0.23 3.68 2.03 -1.26 -4.77 116.55 120.38 3ith n ASP 121 Ca -0.18 0.38 0.07 0.00 0.52 0.00 0.00 54.79 55.58 3ith n ASP 121 Cb 0.52 -0.29 0.53 0.00 -0.72 0.00 0.00 41.12 41.16 3ith n ASP 121 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3ith h GLU 122 N 1.23 0.00 0.00 -0.67 4.22 -1.96 -2.49 114.58 114.90 3ith h GLU 122 Ca -0.16 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.28 3ith h GLU 122 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3ith h GLU 122 CO 0.25 0.21 0.00 -0.44 -2.18 0.00 0.00 179.01 176.85 3ith h ASP 123 N 0.00 0.00 0.82 1.04 3.32 -1.94 -3.26 116.42 116.40 3ith h ASP 123 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ith h ASP 123 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3ith h ASP 123 CO 0.03 0.00 -0.72 0.15 -1.72 0.00 0.00 179.24 176.98 3ith h PHE 124 N 0.00 0.00 -0.49 4.55 3.57 -1.72 -3.39 116.94 119.46 3ith h PHE 124 Ca 0.00 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.55 3ith h PHE 124 Cb 0.95 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.66 3ith h PHE 124 CO 0.00 0.00 0.33 0.00 -2.23 0.00 0.00 178.31 176.41 3ith h ARG 125 N 0.00 0.46 0.00 1.11 3.08 -1.60 -1.29 114.38 116.14 3ith h ARG 125 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3ith h ARG 125 Cb 0.77 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.72 3ith h ARG 125 CO 0.00 0.31 0.00 1.57 -1.07 0.00 0.00 179.97 180.78 3ith h LYS 126 N 0.48 0.00 -0.23 0.04 2.10 -1.84 -1.18 116.57 115.94 3ith h LYS 126 Ca 0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.86 3ith h LYS 126 Cb 0.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.54 3ith h LYS 126 CO -0.05 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.06 3ith n TYR 127 N -2.88 0.30 -0.65 0.07 4.01 -0.49 -3.60 117.16 113.92 3ith n TYR 127 Ca -0.02 -0.15 0.08 0.00 -0.16 0.00 0.00 57.90 57.65 3ith n TYR 127 Cb 0.12 0.00 0.27 0.00 -0.31 0.00 0.00 39.34 39.42 3ith n TYR 127 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3ith n THR 128 N 0.35 1.83 -1.72 -0.72 -2.24 -0.45 -4.70 114.28 106.63 3ith n THR 128 Ca 0.14 -1.40 -0.37 0.00 -2.27 0.00 0.00 64.05 60.15 3ith n THR 128 Cb 0.30 0.07 0.07 0.00 -2.10 0.00 0.00 70.33 68.67 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 -2.02 2.35 0.15 6.98 0.00 -1.24 -4.13 121.76 123.85 3ith s ALA 129 Ca 0.40 1.18 -0.24 0.00 0.00 0.00 0.00 51.96 53.31 3ith s ALA 129 Cb 0.28 -3.55 0.07 0.00 0.00 0.00 0.00 23.12 19.92 3ith s ALA 129 CO 0.16 -1.62 0.72 -0.59 0.00 0.00 0.00 175.76 174.43 3ith s PHE 130 N -1.45 -0.39 -0.14 0.00 -0.71 -0.75 -2.01 117.98 112.52 3ith s PHE 130 Ca 0.82 0.15 -0.03 0.00 -1.04 0.00 0.00 56.93 56.83 3ith s PHE 130 Cb -0.37 0.59 0.05 0.00 -1.21 0.00 0.00 43.02 42.08 3ith s PHE 130 CO 0.40 -0.85 0.03 0.99 -1.34 0.00 0.00 175.22 174.45 3ith s THR 131 N -3.60 0.38 -0.12 -4.49 2.01 -1.26 -2.23 115.64 106.32 3ith s THR 131 Ca 0.05 -0.25 -0.29 0.00 0.31 0.00 0.00 61.69 61.51 3ith s THR 131 Cb -0.02 -0.78 -0.02 0.00 0.01 0.00 0.00 72.50 71.69 3ith s THR 131 CO -0.07 -0.05 1.28 -0.63 -0.69 0.00 0.00 174.62 174.46 3ith s ILE 132 N 1.94 4.21 0.80 1.82 1.01 -0.81 -4.71 121.20 125.47 3ith s ILE 132 Ca 0.02 1.49 -0.11 0.00 0.00 0.00 0.00 60.65 62.05 3ith s ILE 132 Cb -0.15 -3.96 0.10 0.00 0.01 0.00 0.00 42.46 38.46 3ith s ILE 132 CO -0.07 -0.09 1.15 -2.16 0.00 0.00 0.00 174.94 173.77 3ith s PRO 133 N 3.15 1.77 0.01 2.79 0.04 -1.26 -2.36 135.00 139.14 3ith s PRO 133 Ca 0.56 -0.14 0.04 0.00 0.04 0.00 0.00 61.00 61.50 3ith s PRO 133 Cb -0.24 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 3ith s PRO 133 CO 0.18 -1.64 -0.13 -1.54 0.04 0.00 0.00 177.00 173.91 3ith s SER 134 N -4.63 1.53 0.25 6.66 1.04 -1.26 -4.90 113.70 112.40 3ith s SER 134 Ca 0.64 -0.30 -0.30 0.00 0.48 0.00 0.00 55.95 56.47 3ith s SER 134 Cb -0.09 -0.15 -0.14 0.00 0.10 0.00 0.00 66.02 65.74 3ith s SER 134 CO 0.48 0.12 1.20 -0.38 0.98 0.00 0.00 173.24 175.64 3ith n ILE 135 N 2.50 1.40 -0.55 -1.02 5.41 -1.26 -1.34 119.36 124.50 3ith n ILE 135 Ca -0.15 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.25 3ith n ILE 135 Cb 0.55 -1.16 0.00 0.00 -0.71 0.00 0.00 39.64 38.32 3ith n ILE 135 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 3ith n ASN 136 N 1.65 -1.62 -0.90 4.38 5.15 -1.26 -2.82 115.26 119.84 3ith n ASN 136 Ca 0.11 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.98 3ith n ASN 136 Cb 0.30 -2.35 -0.04 0.00 -0.53 0.00 0.00 39.78 37.17 3ith n ASN 136 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3ith n ASN 137 N -0.09 -4.08 -0.03 1.20 3.02 -0.45 -4.90 115.26 109.93 3ith n ASN 137 Ca 0.00 0.20 -0.15 0.00 -0.03 0.00 0.00 54.58 54.59 3ith n ASN 137 Cb 0.14 -2.71 -0.10 0.00 -0.61 0.00 0.00 39.78 36.50 3ith n ASN 137 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3ith h GLU 138 N 0.00 0.35 -5.99 3.52 5.08 -1.75 -3.43 114.58 112.36 3ith h GLU 138 Ca -0.22 -0.30 -0.61 0.00 -1.00 0.00 0.00 59.36 57.22 3ith h GLU 138 Cb 0.81 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.07 3ith h GLU 138 CO 0.31 0.95 -0.28 0.99 -1.00 0.00 0.00 179.01 179.98 3ith s THR 139 N -3.57 5.15 0.74 1.13 2.01 -1.26 -5.08 115.64 114.76 3ith s THR 139 Ca -0.14 0.51 -0.15 0.00 0.31 0.00 0.00 61.69 62.21 3ith s THR 139 Cb 0.04 -3.63 0.03 0.00 0.01 0.00 0.00 72.50 68.95 3ith s THR 139 CO 0.78 0.43 1.17 -2.65 -0.69 0.00 0.00 174.62 173.67 3ith n PRO 140 N 1.36 0.56 -2.36 4.92 -0.02 -1.26 -4.60 135.00 133.60 3ith n PRO 140 Ca -0.12 0.25 -0.41 0.00 -2.02 0.00 0.00 63.50 61.20 3ith n PRO 140 Cb 0.53 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 3ith n PRO 140 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3ith s GLY 141 N -1.77 2.58 -0.14 -1.23 0.00 -1.26 -4.86 107.32 100.65 3ith s GLY 141 Ca 0.76 0.96 -0.29 0.00 0.00 0.00 0.00 44.72 46.14 3ith s GLY 141 CO 0.47 1.92 1.31 -0.42 0.00 0.00 0.00 173.10 176.39 3ith s ILE 142 N 0.18 4.18 -0.22 0.90 -1.09 -1.00 -4.87 121.20 119.28 3ith s ILE 142 Ca 0.55 1.43 -0.05 0.00 -2.23 0.00 0.00 60.65 60.35 3ith s ILE 142 Cb -0.33 -3.93 -0.02 0.00 -1.58 0.00 0.00 42.46 36.61 3ith s ILE 142 CO 0.35 -0.12 0.01 -0.13 -1.23 0.00 0.00 174.94 173.82 3ith s ARG 143 N 3.47 3.57 0.43 2.79 0.52 -1.26 -1.92 118.95 126.55 3ith s ARG 143 Ca 0.57 -0.53 0.06 0.00 -0.52 0.00 0.00 55.73 55.31 3ith s ARG 143 Cb -0.24 -3.12 -0.05 0.00 0.52 0.00 0.00 34.95 32.06 3ith s ARG 143 CO 0.17 -0.08 0.11 0.71 0.02 0.00 0.00 175.30 176.23 3ith s TYR 144 N 1.24 2.45 -0.06 -0.53 2.02 -0.95 -0.49 117.35 121.04 3ith s TYR 144 Ca 0.04 -0.67 -0.04 0.00 -0.37 0.00 0.00 57.07 56.03 3ith s TYR 144 Cb -0.15 -1.86 0.02 0.00 -0.40 0.00 0.00 41.96 39.58 3ith s TYR 144 CO 0.01 0.25 0.14 -1.14 -1.57 0.00 0.00 175.55 173.24 3ith s GLN 145 N -3.85 0.12 0.43 -0.62 0.74 -0.64 -1.81 119.66 114.03 3ith s GLN 145 Ca 0.35 0.26 -0.24 0.00 0.05 0.00 0.00 55.36 55.78 3ith s GLN 145 Cb 0.06 -0.04 -0.08 0.00 1.10 0.00 0.00 33.01 34.05 3ith s GLN 145 CO 0.19 -0.08 1.19 0.71 -0.55 0.00 0.00 175.29 176.74 3ith s TYR 146 N 0.56 2.95 -0.39 1.67 1.51 -1.26 -1.68 117.35 120.72 3ith s TYR 146 Ca -0.04 1.53 0.04 0.00 -1.01 0.00 0.00 57.07 57.58 3ith s TYR 146 Cb -0.06 -3.43 0.06 0.00 -0.11 0.00 0.00 41.96 38.42 3ith s TYR 146 CO -0.03 -1.51 0.81 0.09 -1.11 0.00 0.00 175.55 173.81 3ith n ASN 147 N -0.15 1.72 -3.74 2.29 3.02 -0.46 -4.74 115.26 113.20 3ith n ASN 147 Ca 0.05 -1.51 -0.12 0.00 -0.03 0.00 0.00 54.58 52.98 3ith n ASN 147 Cb 0.47 -0.03 -0.07 0.00 -0.61 0.00 0.00 39.78 39.53 3ith n ASN 147 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3ith s VAL 148 N -0.60 0.08 -0.22 2.41 -7.23 -1.24 -3.09 120.40 110.50 3ith s VAL 148 Ca 0.06 -0.66 -0.40 0.00 -1.81 0.00 0.00 61.98 59.16 3ith s VAL 148 Cb 0.03 -0.94 -0.17 0.00 0.56 0.00 0.00 36.38 35.87 3ith s VAL 148 CO 0.05 -0.36 1.61 0.18 -0.31 0.00 0.00 175.10 176.27 3ith n LEU 149 N 0.57 1.96 -4.81 1.32 4.77 -0.72 -4.74 117.00 115.34 3ith n LEU 149 Ca -0.19 1.10 -0.37 0.00 -0.03 0.00 0.00 56.01 56.52 3ith n LEU 149 Cb 0.59 -1.10 -0.06 0.00 -2.33 0.00 0.00 43.42 40.52 3ith n LEU 149 CO 0.21 -0.68 0.02 -2.16 -1.33 0.00 0.00 177.39 173.44 3ith s PRO 150 N 2.69 3.93 0.31 3.23 0.05 -1.26 -4.23 135.00 139.72 3ith s PRO 150 Ca 0.96 0.21 -0.29 0.00 0.05 0.00 0.00 61.00 61.94 3ith s PRO 150 Cb -1.12 -3.28 -0.13 0.00 0.05 0.00 0.00 34.50 30.02 3ith s PRO 150 CO 0.64 0.56 1.22 1.04 0.05 0.00 0.00 177.00 180.51 3ith n GLN 151 N 2.42 1.86 0.00 4.56 6.02 -1.26 -1.88 117.38 129.10 3ith n GLN 151 Ca -0.14 0.65 0.00 0.00 -0.01 0.00 0.00 57.00 57.50 3ith n GLN 151 Cb 0.53 -2.18 0.00 0.00 1.02 0.00 0.00 30.24 29.61 3ith n GLN 151 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ith n GLY 152 N 1.12 3.15 3.82 1.08 0.00 -1.26 -4.72 105.19 108.37 3ith n GLY 152 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 3ith n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3ith s TRP 153 N -2.84 3.31 0.10 1.61 -0.00 -0.79 -4.60 118.94 115.73 3ith s TRP 153 Ca 0.00 1.58 -0.01 0.00 -0.00 0.00 0.00 56.10 57.67 3ith s TRP 153 Cb 0.00 -2.86 -0.22 0.00 -0.00 0.00 0.00 33.47 30.39 3ith s TRP 153 CO 0.00 -0.21 1.21 1.57 -0.00 0.00 0.00 176.95 179.52 3ith h LYS 154 N 1.70 0.21 0.00 5.86 2.10 -1.93 -3.25 116.57 121.26 3ith h LYS 154 Ca -0.49 -0.33 -0.03 0.00 -2.00 0.00 0.00 60.65 57.81 3ith h LYS 154 Cb 1.18 0.12 -0.00 0.00 -0.90 0.00 0.00 32.23 32.63 3ith h LYS 154 CO 0.61 1.13 -0.14 0.78 -2.00 0.00 0.00 179.45 179.83 3ith h GLY 155 N 1.93 0.00 0.00 0.07 0.00 -1.94 -3.30 103.07 99.83 3ith h GLY 155 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.24 3ith h GLY 155 CO 0.18 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.16 3ith n SER 156 N -4.15 0.00 -0.18 0.19 7.64 -1.23 -0.22 113.62 115.67 3ith n SER 156 Ca -0.02 0.93 0.29 0.00 1.01 0.00 0.00 58.87 61.08 3ith n SER 156 Cb 0.22 -0.43 0.72 0.00 -1.01 0.00 0.00 64.21 63.71 3ith n SER 156 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3ith h PRO 157 N 0.00 0.00 0.09 1.43 0.13 -1.76 -1.98 132.00 129.91 3ith h PRO 157 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.85 3ith h PRO 157 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 3ith h PRO 157 CO 0.00 0.00 -1.18 0.00 -0.23 0.00 0.00 178.00 176.59 3ith h ALA 158 N 1.38 0.07 0.01 -0.56 0.00 -1.26 -2.85 119.26 116.05 3ith h ALA 158 Ca 0.44 -0.77 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 3ith h ALA 158 Cb 1.92 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.78 3ith h ALA 158 CO -0.00 0.73 -0.00 0.82 0.00 0.00 0.00 179.25 180.80 3ith h ILE 159 N 0.27 1.55 0.00 0.00 2.04 -0.04 -3.31 117.51 118.01 3ith h ILE 159 Ca -0.16 -1.71 0.00 0.00 1.00 0.00 0.00 64.86 63.99 3ith h ILE 159 Cb 1.85 2.70 0.00 0.00 -0.74 0.00 0.00 36.82 40.63 3ith h ILE 159 CO 0.22 0.44 0.00 0.33 0.00 0.00 0.00 178.15 179.14 3ith n PHE 160 N -4.74 0.00 -0.06 1.37 7.35 -0.80 -3.85 117.46 116.73 3ith n PHE 160 Ca -0.09 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.51 3ith n PHE 160 Cb 0.36 -0.01 0.06 0.00 0.35 0.00 0.00 39.48 40.23 3ith n PHE 160 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 3ith h GLN 161 N 0.02 0.72 0.47 -4.13 4.15 -1.59 -2.15 115.11 112.60 3ith h GLN 161 Ca 0.00 -0.36 -0.01 0.00 0.77 0.00 0.00 58.65 59.05 3ith h GLN 161 Cb 0.07 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.74 3ith h GLN 161 CO 0.00 0.97 -0.44 0.66 -1.93 0.00 0.00 178.83 178.09 3ith h SER 162 N 0.60 -1.20 -0.71 -0.69 4.64 -1.85 -1.74 113.55 112.60 3ith h SER 162 Ca 0.06 0.10 0.14 0.00 -0.47 0.00 0.00 61.79 61.61 3ith h SER 162 Cb 0.90 0.40 -0.04 0.00 -0.31 0.00 0.00 62.40 63.34 3ith h SER 162 CO 0.08 -0.61 0.47 0.28 -0.87 0.00 0.00 176.83 176.18 3ith h SER 163 N -0.92 0.36 0.51 4.97 0.02 -1.82 -2.82 113.55 113.85 3ith h SER 163 Ca -0.05 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 3ith h SER 163 Cb 0.80 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.29 3ith h SER 163 CO -0.05 0.20 -0.24 -0.03 -1.14 0.00 0.00 176.83 175.57 3ith h MET 164 N 0.39 -0.66 -0.91 3.45 -1.53 -0.88 -0.84 114.93 113.95 3ith h MET 164 Ca 0.34 0.04 0.14 0.00 -3.44 0.00 0.00 59.70 56.78 3ith h MET 164 Cb 0.79 0.15 -0.14 0.00 -0.55 0.00 0.00 31.60 31.84 3ith h MET 164 CO -0.10 -0.36 -0.37 2.41 0.14 0.00 0.00 176.91 178.63 3ith n THR 165 N -5.26 -0.49 0.09 -0.77 -1.04 -0.70 0.19 114.28 106.30 3ith n THR 165 Ca -0.10 2.15 0.02 0.00 -2.04 0.00 0.00 64.05 64.08 3ith n THR 165 Cb 0.31 -2.82 0.38 0.00 -1.82 0.00 0.00 70.33 66.38 3ith n THR 165 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 3ith h LYS 166 N 0.00 0.31 -0.29 -2.82 1.57 -1.42 0.80 116.57 114.73 3ith h LYS 166 Ca 0.30 -0.06 -0.17 0.00 -1.87 0.00 0.00 60.65 58.85 3ith h LYS 166 Cb 0.53 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 3ith h LYS 166 CO -0.90 0.40 -0.50 0.82 -0.57 0.00 0.00 179.45 178.69 3ith h ILE 167 N 0.30 1.28 0.00 1.86 2.04 0.12 -3.17 117.51 119.95 3ith h ILE 167 Ca 0.07 -1.69 -0.16 0.00 1.00 0.00 0.00 64.86 64.07 3ith h ILE 167 Cb 0.32 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 3ith h ILE 167 CO 0.01 0.55 -0.85 -0.07 0.00 0.00 0.00 178.15 177.79 3ith h LEU 168 N 0.64 0.00 -0.13 1.44 3.38 -0.48 -3.40 115.31 116.75 3ith h LEU 168 Ca 0.03 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.01 3ith h LEU 168 Cb 1.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 3ith h LEU 168 CO 0.11 0.69 -0.08 1.21 0.09 0.00 0.00 178.44 180.47 3ith n GLU 169 N -3.21 -0.06 0.03 1.13 4.07 0.27 -1.27 120.64 121.60 3ith n GLU 169 Ca -0.01 0.36 -0.03 0.00 -0.06 0.00 0.00 57.16 57.42 3ith n GLU 169 Cb 0.83 -0.54 -0.02 0.00 -0.06 0.00 0.00 31.44 31.66 3ith n GLU 169 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 3ith h PRO 170 N 0.00 -0.13 -0.99 5.31 0.11 -1.79 -3.03 132.00 131.48 3ith h PRO 170 Ca 0.02 0.01 0.32 0.00 0.11 0.00 0.00 66.00 66.46 3ith h PRO 170 Cb 0.05 0.03 -0.15 0.00 0.11 0.00 0.00 31.00 31.04 3ith h PRO 170 CO -0.13 -0.08 0.54 0.35 -0.21 0.00 0.00 178.00 178.46 3ith h PHE 171 N -0.13 0.87 0.00 0.65 3.04 -1.47 0.95 116.94 120.85 3ith h PHE 171 Ca -0.00 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.98 3ith h PHE 171 Cb 0.12 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 38.41 3ith h PHE 171 CO -0.22 -0.20 0.00 0.87 -2.02 0.00 0.00 178.31 176.74 3ith h LYS 172 N 0.29 0.00 0.00 1.11 1.57 -1.12 -2.91 116.57 115.51 3ith h LYS 172 Ca 0.73 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.51 3ith h LYS 172 Cb 1.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.97 3ith h LYS 172 CO -0.62 0.00 -0.19 -0.22 -0.57 0.00 0.00 179.45 177.84 3ith h LYS 173 N 0.00 0.00 0.00 3.15 3.64 0.10 -3.29 116.57 120.17 3ith h LYS 173 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3ith h LYS 173 Cb 0.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3ith h LYS 173 CO 0.00 0.00 0.01 1.04 -2.27 0.00 0.00 179.45 178.23 3ith n GLN 174 N -3.74 0.00 -3.02 1.90 6.02 -1.10 -2.93 117.38 114.51 3ith n GLN 174 Ca -0.03 0.03 -0.16 0.00 -0.01 0.00 0.00 57.00 56.83 3ith n GLN 174 Cb 0.10 -1.51 -0.02 0.00 1.02 0.00 0.00 30.24 29.83 3ith n GLN 174 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3ith n ASN 175 N -0.93 -1.47 0.00 1.08 3.02 -1.10 -5.03 115.26 110.84 3ith n ASN 175 Ca 0.00 -2.87 0.13 0.00 -0.03 0.00 0.00 54.58 51.81 3ith n ASN 175 Cb 0.01 0.53 0.67 0.00 -0.61 0.00 0.00 39.78 40.38 3ith n ASN 175 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3ith n PRO 176 N 1.95 0.36 -0.03 3.52 -0.04 -1.15 -3.18 135.00 136.43 3ith n PRO 176 Ca 0.18 0.03 0.10 0.00 -0.04 0.00 0.00 63.50 63.78 3ith n PRO 176 Cb 0.56 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.62 3ith n PRO 176 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3ith n ASP 177 N -1.30 2.84 -4.83 3.54 8.00 -1.26 -4.94 116.55 118.59 3ith n ASP 177 Ca 0.12 -1.88 -0.38 0.00 0.71 0.00 0.00 54.79 53.36 3ith n ASP 177 Cb 0.22 -0.04 -0.06 0.00 -0.02 0.00 0.00 41.12 41.22 3ith n ASP 177 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ith s ILE 178 N -1.67 5.04 -0.14 0.53 1.09 -1.19 -4.72 121.20 120.14 3ith s ILE 178 Ca 0.26 0.83 -0.02 0.00 -1.10 0.00 0.00 60.65 60.62 3ith s ILE 178 Cb 0.18 -3.71 -0.03 0.00 -1.06 0.00 0.00 42.46 37.84 3ith s ILE 178 CO 0.26 0.58 -0.06 -0.69 -0.10 0.00 0.00 174.94 174.93 3ith s VAL 179 N -1.05 3.71 -0.22 2.92 1.01 0.23 -4.96 120.40 122.04 3ith s VAL 179 Ca 0.24 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.79 3ith s VAL 179 Cb -0.17 -2.60 0.06 0.00 0.00 0.00 0.00 36.38 33.67 3ith s VAL 179 CO 0.13 0.51 -0.05 -0.63 0.00 0.00 0.00 175.10 175.06 3ith s ILE 180 N 0.22 1.42 -0.08 2.22 1.01 -1.26 0.11 121.20 124.84 3ith s ILE 180 Ca -0.04 -1.10 0.00 0.00 0.00 0.00 0.00 60.65 59.52 3ith s ILE 180 Cb -0.14 -1.68 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 3ith s ILE 180 CO 0.03 -0.07 -0.08 -0.47 0.00 0.00 0.00 174.94 174.35 3ith s TYR 181 N 1.45 2.91 -0.24 3.97 5.04 0.80 -4.93 117.35 126.36 3ith s TYR 181 Ca -0.05 -0.11 -0.06 0.00 -2.44 0.00 0.00 57.07 54.41 3ith s TYR 181 Cb -0.18 -1.75 -0.02 0.00 0.35 0.00 0.00 41.96 40.36 3ith s TYR 181 CO -0.07 0.21 0.04 -1.14 -1.34 0.00 0.00 175.55 173.25 3ith s GLN 182 N -0.52 3.59 -0.26 4.97 0.74 -1.26 0.65 119.66 127.57 3ith s GLN 182 Ca 0.08 -0.51 0.03 0.00 0.05 0.00 0.00 55.36 55.00 3ith s GLN 182 Cb -0.12 -3.23 0.06 0.00 1.10 0.00 0.00 33.01 30.82 3ith s GLN 182 CO 0.02 -0.17 -0.08 -0.47 -0.55 0.00 0.00 175.29 174.04 3ith s TYR 183 N 1.52 3.11 0.00 1.67 5.04 -0.88 -4.64 117.35 123.17 3ith s TYR 183 Ca 0.06 -2.26 0.00 0.00 -2.44 0.00 0.00 57.07 52.43 3ith s TYR 183 Cb -0.15 -1.94 0.00 0.00 0.35 0.00 0.00 41.96 40.22 3ith s TYR 183 CO 0.02 -0.86 0.00 -1.33 -1.34 0.00 0.00 175.55 172.04 3ith n MET 184 N 4.47 0.00 -0.15 4.97 2.81 -1.26 -1.50 117.12 126.46 3ith n MET 184 Ca -0.12 0.00 0.10 0.00 -1.81 0.00 0.00 57.70 55.87 3ith n MET 184 Cb 0.42 0.00 0.29 0.00 -0.71 0.00 0.00 33.22 33.22 3ith n MET 184 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3ith n ASP 185 N 7.28 2.32 -4.80 7.83 8.00 -1.26 -4.58 116.55 131.34 3ith n ASP 185 Ca 0.00 -1.86 -0.32 0.00 0.71 0.00 0.00 54.79 53.31 3ith n ASP 185 Cb 0.00 -0.20 -0.06 0.00 -0.02 0.00 0.00 41.12 40.84 3ith n ASP 185 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3ith s ASP 186 N -1.39 5.77 -0.14 -2.24 1.01 -0.56 -0.80 116.67 118.32 3ith s ASP 186 Ca 0.33 0.15 0.02 0.00 0.71 0.00 0.00 52.55 53.76 3ith s ASP 186 Cb 0.18 -1.67 0.01 0.00 1.01 0.00 0.00 42.92 42.46 3ith s ASP 186 CO 0.26 0.25 -0.19 -0.22 0.21 0.00 0.00 175.17 175.48 3ith s LEU 187 N -1.91 1.94 -0.31 1.23 2.96 0.12 -2.08 118.68 120.63 3ith s LEU 187 Ca 0.25 -0.55 -0.11 0.00 -0.22 0.00 0.00 54.13 53.51 3ith s LEU 187 Cb -0.12 -1.32 -0.02 0.00 0.50 0.00 0.00 46.19 45.23 3ith s LEU 187 CO 0.17 0.03 0.18 -0.31 -1.32 0.00 0.00 176.35 175.10 3ith s TYR 188 N 1.04 3.19 -0.34 5.38 1.51 0.21 -0.08 117.35 128.26 3ith s TYR 188 Ca -0.03 -0.35 -0.07 0.00 -1.01 0.00 0.00 57.07 55.61 3ith s TYR 188 Cb -0.15 -2.39 0.03 0.00 -0.11 0.00 0.00 41.96 39.35 3ith s TYR 188 CO -0.05 -0.38 0.12 0.08 -1.11 0.00 0.00 175.55 174.22 3ith s VAL 189 N 1.67 3.98 -0.14 0.71 1.01 -0.03 -0.14 120.40 127.46 3ith s VAL 189 Ca 0.06 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 61.03 3ith s VAL 189 Cb -0.17 -3.22 0.01 0.00 0.00 0.00 0.00 36.38 33.00 3ith s VAL 189 CO 0.08 -0.16 -0.21 -0.83 0.00 0.00 0.00 175.10 173.97 3ith s GLY 190 N 1.45 1.37 -0.25 4.51 0.00 0.31 -1.00 107.32 113.71 3ith s GLY 190 Ca -0.00 -1.09 -0.02 0.00 0.00 0.00 0.00 44.72 43.60 3ith s GLY 190 CO 0.04 -0.03 0.39 -1.35 0.00 0.00 0.00 173.10 172.15 3ith s SER 191 N 0.80 0.19 0.00 1.64 1.04 -0.68 0.75 113.70 117.44 3ith s SER 191 Ca -0.07 0.21 -0.02 0.00 0.48 0.00 0.00 55.95 56.55 3ith s SER 191 Cb -0.16 1.16 -0.10 0.00 0.10 0.00 0.00 66.02 67.02 3ith s SER 191 CO -0.02 -0.30 1.70 -0.90 0.98 0.00 0.00 173.24 174.71 3ith n ASP 192 N 5.37 2.35 0.00 7.02 5.68 -1.26 -3.77 116.55 131.93 3ith n ASP 192 Ca -0.03 -1.88 0.00 0.00 -0.50 0.00 0.00 54.79 52.38 3ith n ASP 192 Cb 0.50 -0.61 0.00 0.00 -1.14 0.00 0.00 41.12 39.87 3ith n ASP 192 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 3ith n LEU 193 N 2.59 0.00 -3.76 -2.12 0.00 -1.26 -4.72 117.00 107.73 3ith n LEU 193 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 56.01 56.04 3ith n LEU 193 Cb 0.37 0.00 -0.12 0.00 0.00 0.00 0.00 43.42 43.67 3ith n LEU 193 CO 0.16 0.00 -0.09 -0.70 0.00 0.00 0.00 177.39 176.75 3ith s GLU 194 N 0.75 0.26 0.63 1.96 2.12 -1.26 -4.98 118.70 118.17 3ith s GLU 194 Ca 0.00 0.45 0.26 0.00 0.36 0.00 0.00 54.97 56.04 3ith s GLU 194 Cb 0.00 0.02 1.32 0.00 0.26 0.00 0.00 34.13 35.74 3ith s GLU 194 CO 0.00 -0.10 1.75 0.97 -0.54 0.00 0.00 175.26 177.34 3ith h ILE 195 N 5.27 0.16 0.01 -3.70 6.09 -1.98 0.91 117.51 124.26 3ith h ILE 195 Ca -0.33 0.00 -0.37 0.00 -1.37 0.00 0.00 64.86 62.79 3ith h ILE 195 Cb 1.18 0.51 -0.07 0.00 0.47 0.00 0.00 36.82 38.91 3ith h ILE 195 CO 0.36 0.00 -2.37 0.61 -3.07 0.00 0.00 178.15 173.68 3ith n GLY 196 N -1.43 -0.69 0.03 8.18 0.00 -1.26 -3.61 105.19 106.41 3ith n GLY 196 Ca 0.05 -0.24 0.14 0.00 0.00 0.00 0.00 46.02 45.97 3ith n GLY 196 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3ith n GLN 197 N -3.04 0.09 -0.11 1.61 7.27 0.15 -3.18 117.38 120.17 3ith n GLN 197 Ca -0.38 0.07 -0.21 0.00 0.07 0.00 0.00 57.00 56.55 3ith n GLN 197 Cb 1.07 -1.60 -0.12 0.00 2.41 0.00 0.00 30.24 32.01 3ith n GLN 197 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 3ith n HIS 198 N -1.74 0.25 0.51 3.69 -0.00 0.27 -3.37 115.22 114.82 3ith n HIS 198 Ca 0.06 0.06 0.04 0.00 0.46 0.00 0.00 57.72 58.35 3ith n HIS 198 Cb 0.37 -1.03 0.25 0.00 -0.12 0.00 0.00 29.99 29.45 3ith n HIS 198 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 3ith n ARG 199 N -3.53 0.24 -0.09 1.57 1.74 -1.24 -1.98 116.66 113.38 3ith n ARG 199 Ca -0.45 0.04 -0.10 0.00 -0.77 0.00 0.00 57.85 56.57 3ith n ARG 199 Cb 0.97 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.87 3ith n ARG 199 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3ith n THR 200 N -1.05 1.48 0.22 0.55 -2.24 -1.19 -3.70 114.28 108.35 3ith n THR 200 Ca 0.06 0.12 0.10 0.00 -2.27 0.00 0.00 64.05 62.06 3ith n THR 200 Cb 0.04 -2.31 0.55 0.00 -2.10 0.00 0.00 70.33 66.50 3ith n THR 200 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3ith h LYS 201 N -1.00 0.00 0.06 -0.78 1.57 -1.52 1.25 116.57 116.15 3ith h LYS 201 Ca -0.07 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.44 3ith h LYS 201 Cb 0.91 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.24 3ith h LYS 201 CO -0.04 0.00 -1.09 0.82 -0.57 0.00 0.00 179.45 178.56 3ith h ILE 202 N 0.00 1.30 -0.01 1.86 1.08 -1.58 -2.07 117.51 118.08 3ith h ILE 202 Ca 0.00 -2.34 -0.13 0.00 -0.39 0.00 0.00 64.86 62.00 3ith h ILE 202 Cb 0.55 2.58 -0.02 0.00 -3.07 0.00 0.00 36.82 36.86 3ith h ILE 202 CO 0.00 0.71 -0.60 -0.08 -0.69 0.00 0.00 178.15 177.49 3ith h GLU 203 N 0.27 0.05 0.00 2.37 4.57 0.11 -1.65 114.58 120.29 3ith h GLU 203 Ca -0.15 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 3ith h GLU 203 Cb 1.77 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.36 3ith h GLU 203 CO 0.21 0.63 0.00 1.49 -1.18 0.00 0.00 179.01 180.17 3ith h GLU 204 N 0.04 0.00 0.02 1.92 4.81 0.41 -2.86 114.58 118.92 3ith h GLU 204 Ca -0.01 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.85 3ith h GLU 204 Cb 1.07 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.39 3ith h GLU 204 CO 0.08 0.00 -2.30 -0.11 -0.73 0.00 0.00 179.01 175.95 3ith n LEU 205 N -2.63 1.94 0.07 1.64 7.94 -0.78 -3.87 117.00 121.32 3ith n LEU 205 Ca 0.02 0.01 0.02 0.00 -1.11 0.00 0.00 56.01 54.95 3ith n LEU 205 Cb 0.33 -0.48 0.37 0.00 0.53 0.00 0.00 43.42 44.17 3ith n LEU 205 CO 0.26 0.76 0.93 -0.09 -1.11 0.00 0.00 177.39 178.13 3ith h ARG 206 N 0.01 0.35 -0.20 1.96 2.43 -1.19 -0.34 114.38 117.40 3ith h ARG 206 Ca -0.52 -0.07 -0.17 0.00 -0.81 0.00 0.00 59.98 58.41 3ith h ARG 206 Cb 2.03 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 31.52 3ith h ARG 206 CO -0.01 0.42 -0.57 1.96 -1.51 0.00 0.00 179.97 180.26 3ith h GLN 207 N 0.33 0.64 -0.40 0.20 1.08 -1.71 -1.09 115.11 114.16 3ith h GLN 207 Ca 0.07 -0.42 0.08 0.00 -1.45 0.00 0.00 58.65 56.93 3ith h GLN 207 Cb 0.32 0.05 -0.07 0.00 -0.05 0.00 0.00 27.48 27.73 3ith h GLN 207 CO 0.01 1.04 -0.05 1.25 -0.95 0.00 0.00 178.83 180.13 3ith h HIS 208 N 0.49 -0.12 -0.01 2.96 2.76 -1.21 -1.25 115.15 118.76 3ith h HIS 208 Ca 0.00 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.08 3ith h HIS 208 Cb 1.14 0.12 -0.02 0.00 1.55 0.00 0.00 27.41 30.20 3ith h HIS 208 CO 0.05 -0.13 -0.57 -0.07 -1.30 0.00 0.00 177.93 175.91 3ith h LEU 209 N 0.05 0.03 -0.23 0.26 3.38 -1.17 -2.83 115.31 114.79 3ith h LEU 209 Ca 0.19 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.19 3ith h LEU 209 Cb 0.29 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 3ith h LEU 209 CO -0.37 0.60 0.00 0.25 0.09 0.00 0.00 178.44 179.01 3ith h LEU 210 N 0.02 -0.08 0.00 1.67 5.85 -0.30 -1.78 115.31 120.68 3ith h LEU 210 Ca -0.01 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3ith h LEU 210 Cb 1.02 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.14 3ith h LEU 210 CO 0.08 -0.01 0.00 0.54 -0.34 0.00 0.00 178.44 178.70 3ith n ARG 211 N -5.14 0.62 -0.03 1.25 1.74 -0.56 -2.87 116.66 111.67 3ith n ARG 211 Ca -0.02 0.02 0.01 0.00 -0.77 0.00 0.00 57.85 57.10 3ith n ARG 211 Cb 0.12 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.09 3ith n ARG 211 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 3ith n TRP 212 N -1.07 0.08 0.00 -1.55 8.01 -0.93 -5.02 117.44 116.97 3ith n TRP 212 Ca 0.16 -0.35 0.00 0.00 -1.31 0.00 0.00 57.50 56.00 3ith n TRP 212 Cb 0.10 -0.03 0.00 0.00 -2.01 0.00 0.00 31.31 29.37 3ith n TRP 212 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3ith n GLY 213 N -0.13 3.18 3.46 6.99 0.00 -1.08 -5.03 105.19 112.58 3ith n GLY 213 Ca 0.02 -0.88 -0.14 0.00 0.00 0.00 0.00 46.02 45.02 3ith n GLY 213 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ith n LEU 214 N 0.00 0.02 -4.76 0.99 4.32 -0.72 -4.87 117.00 111.99 3ith n LEU 214 Ca 0.00 -1.31 -0.39 0.00 -0.02 0.00 0.00 56.01 54.29 3ith n LEU 214 Cb 0.00 -1.13 0.03 0.00 -1.62 0.00 0.00 43.42 40.70 3ith n LEU 214 CO 0.00 -2.24 1.02 -0.89 -1.22 0.00 0.00 177.39 174.06 3ith s THR 215 N 7.93 2.10 -0.39 -5.08 2.01 -1.26 -3.87 115.64 117.08 3ith s THR 215 Ca 0.90 0.08 0.06 0.00 0.31 0.00 0.00 61.69 63.04 3ith s THR 215 Cb -0.35 -3.04 0.17 0.00 0.01 0.00 0.00 72.50 69.29 3ith s THR 215 CO 0.25 0.00 0.50 -0.89 -0.69 0.00 0.00 174.62 173.80 3ith s THR 216 N -1.26 -0.67 0.97 -0.82 2.01 -1.26 -4.63 115.64 109.98 3ith s THR 216 Ca 0.66 -0.48 -0.11 0.00 0.31 0.00 0.00 61.69 62.07 3ith s THR 216 Cb -0.42 -0.36 0.15 0.00 0.01 0.00 0.00 72.50 71.88 3ith s THR 216 CO 0.51 -0.29 0.94 -0.81 -0.69 0.00 0.00 174.62 174.29 3ith n PRO 217 N 4.37 -0.78 -4.77 4.92 -0.04 -1.26 -5.09 135.00 132.35 3ith n PRO 217 Ca 0.11 -0.17 -0.33 0.00 -0.04 0.00 0.00 63.50 63.06 3ith n PRO 217 Cb 0.51 -2.22 -0.12 0.00 -0.04 0.00 0.00 33.50 31.63 3ith n PRO 217 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3ith s ASP 218 N -2.45 4.27 0.00 3.54 2.15 -1.26 -5.07 116.67 117.84 3ith s ASP 218 Ca 0.65 -0.14 0.00 0.00 0.43 0.00 0.00 52.55 53.49 3ith s ASP 218 Cb -0.23 -0.96 0.00 0.00 -0.30 0.00 0.00 42.92 41.43 3ith s ASP 218 CO 0.61 0.35 0.00 0.61 -0.17 0.00 0.00 175.17 176.57 3ith n GLY 231 N 2.21 1.14 3.46 2.66 0.00 -1.26 -4.86 105.19 108.54 3ith n GLY 231 Ca -0.17 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 3ith n GLY 231 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ith s TYR 232 N 0.74 2.84 -0.96 1.61 5.04 -1.26 -4.93 117.35 120.43 3ith s TYR 232 Ca 0.00 -0.32 -0.03 0.00 -2.44 0.00 0.00 57.07 54.28 3ith s TYR 232 Cb 0.00 -1.77 0.24 0.00 0.35 0.00 0.00 41.96 40.78 3ith s TYR 232 CO 0.00 0.04 0.90 0.39 -1.34 0.00 0.00 175.55 175.54 3ith n GLU 233 N 2.91 2.95 -4.19 4.97 -0.58 -1.26 -3.40 120.64 122.04 3ith n GLU 233 Ca -0.18 -4.49 -0.34 0.00 -0.42 0.00 0.00 57.16 51.73 3ith n GLU 233 Cb 0.53 -2.45 -0.14 0.00 -0.57 0.00 0.00 31.44 28.81 3ith n GLU 233 CO 0.00 0.00 0.00 -0.48 -0.48 0.00 0.00 177.13 176.17 3ith s LEU 234 N -1.48 2.85 -0.41 -4.62 0.05 -0.66 -4.93 118.68 109.49 3ith s LEU 234 Ca 0.29 -0.36 -0.04 0.00 0.05 0.00 0.00 54.13 54.07 3ith s LEU 234 Cb -0.06 -1.70 0.10 0.00 -2.05 0.00 0.00 46.19 42.48 3ith s LEU 234 CO -0.10 0.05 0.21 -1.00 -0.55 0.00 0.00 176.35 174.96 3ith s HIS 235 N 1.06 3.50 -1.62 3.48 3.76 -1.26 -1.86 115.29 122.35 3ith s HIS 235 Ca 0.00 -2.17 0.09 0.00 -0.15 0.00 0.00 55.06 52.83 3ith s HIS 235 Cb -0.15 -3.10 0.49 0.00 1.11 0.00 0.00 32.58 30.93 3ith s HIS 235 CO -0.01 -0.94 1.11 -0.35 -0.85 0.00 0.00 174.74 173.70 3ith n PRO 236 N 4.68 0.18 -0.00 8.40 -0.04 -1.26 -2.26 135.00 144.70 3ith n PRO 236 Ca -0.05 0.13 -0.11 0.00 -0.04 0.00 0.00 63.50 63.43 3ith n PRO 236 Cb 0.42 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.32 3ith n PRO 236 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3ith h ASP 237 N 0.00 0.11 0.25 3.54 3.32 -1.82 -2.61 116.42 119.21 3ith h ASP 237 Ca 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3ith h ASP 237 Cb 0.06 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3ith h ASP 237 CO 0.00 0.12 0.00 0.29 -1.72 0.00 0.00 179.24 177.93 3ith n LYS 238 N -5.00 0.10 -2.29 3.56 5.02 -0.96 -4.28 118.16 114.31 3ith n LYS 238 Ca -0.05 0.50 -0.34 0.00 -2.02 0.00 0.00 58.31 56.39 3ith n LYS 238 Cb 0.05 -1.77 -0.04 0.00 -0.02 0.00 0.00 35.03 33.25 3ith n LYS 238 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3ith s TRP 239 N -3.29 2.25 0.50 2.13 0.51 -0.99 -4.91 118.94 115.15 3ith s TRP 239 Ca 0.01 -0.31 0.09 0.00 -2.12 0.00 0.00 56.10 53.77 3ith s TRP 239 Cb 0.06 -4.34 0.05 0.00 -0.81 0.00 0.00 33.47 28.43 3ith s TRP 239 CO 0.21 -1.60 0.67 0.95 -0.51 0.00 0.00 176.95 176.67 3ith s THR 240 N 7.93 2.52 0.28 2.01 -4.23 -1.26 -5.07 115.64 117.82 3ith s THR 240 Ca 0.61 -1.03 0.05 0.00 -1.18 0.00 0.00 61.69 60.14 3ith s THR 240 Cb -0.00 -2.55 -0.02 0.00 1.34 0.00 0.00 72.50 71.27 3ith s THR 240 CO 0.05 0.00 0.41 0.68 -0.54 0.00 0.00 174.62 175.23 3ith s VAL 241 N -2.53 4.75 -0.88 2.29 -7.23 -1.26 -4.76 120.40 110.78 3ith s VAL 241 Ca 0.57 -0.97 -0.08 0.00 -1.81 0.00 0.00 61.98 59.69 3ith s VAL 241 Cb -0.07 -3.67 0.23 0.00 0.56 0.00 0.00 36.38 33.42 3ith s VAL 241 CO 0.35 -0.26 0.81 -1.58 -0.31 0.00 0.00 175.10 174.11 3ith s GLN 242 N -4.08 3.53 0.41 4.82 2.00 -1.24 -4.93 119.66 120.18 3ith s GLN 242 Ca 0.39 -2.83 -0.26 0.00 -2.00 0.00 0.00 55.36 50.65 3ith s GLN 242 Cb -0.09 -4.26 -0.09 0.00 0.80 0.00 0.00 33.01 29.37 3ith s GLN 242 CO 0.30 -1.25 1.36 -1.25 -0.50 0.00 0.00 175.29 173.95 3ith s PRO 243 N -0.55 3.92 0.31 1.67 0.04 -1.26 -4.83 135.00 134.30 3ith s PRO 243 Ca 0.23 2.28 -0.29 0.00 0.04 0.00 0.00 61.00 63.26 3ith s PRO 243 Cb -0.11 -2.77 -0.10 0.00 0.04 0.00 0.00 34.50 31.56 3ith s PRO 243 CO -0.08 -0.58 1.27 0.42 0.04 0.00 0.00 177.00 178.07 3ith s ILE 244 N -1.22 2.89 0.01 0.56 1.01 -1.26 -5.03 121.20 118.16 3ith s ILE 244 Ca 0.57 0.88 0.04 0.00 0.00 0.00 0.00 60.65 62.14 3ith s ILE 244 Cb -0.41 -3.56 -0.01 0.00 0.01 0.00 0.00 42.46 38.49 3ith s ILE 244 CO 0.53 0.20 -0.12 0.68 0.00 0.00 0.00 174.94 176.23 3ith s VAL 245 N -1.02 0.96 0.36 2.92 -7.23 -1.26 -4.72 120.40 110.40 3ith s VAL 245 Ca 0.49 -0.70 0.00 0.00 -1.81 0.00 0.00 61.98 59.97 3ith s VAL 245 Cb -0.38 -0.83 -0.03 0.00 0.56 0.00 0.00 36.38 35.69 3ith s VAL 245 CO 0.49 0.14 0.56 -0.76 -0.31 0.00 0.00 175.10 175.22 3ith s LEU 246 N -0.64 3.98 0.88 1.32 1.43 -1.26 -5.02 118.68 119.38 3ith s LEU 246 Ca 0.03 0.45 -0.12 0.00 -1.03 0.00 0.00 54.13 53.46 3ith s LEU 246 Cb -0.06 -3.32 0.12 0.00 0.03 0.00 0.00 46.19 42.96 3ith s LEU 246 CO 0.00 -0.33 1.12 -2.84 0.23 0.00 0.00 176.35 174.53 3ith s PRO 247 N -4.34 1.39 -0.23 1.29 0.02 -1.26 -5.07 135.00 126.80 3ith s PRO 247 Ca 0.41 0.47 -0.06 0.00 0.02 0.00 0.00 61.00 61.84 3ith s PRO 247 Cb -0.10 -1.85 0.12 0.00 0.02 0.00 0.00 34.50 32.69 3ith s PRO 247 CO 0.36 -2.06 0.45 -1.83 -0.33 0.00 0.00 177.00 173.60 3ith s GLU 248 N -5.18 0.38 0.20 5.54 1.03 -1.26 -5.17 118.70 114.25 3ith s GLU 248 Ca 0.63 0.96 -0.12 0.00 0.03 0.00 0.00 54.97 56.47 3ith s GLU 248 Cb -0.15 0.22 0.00 0.00 -0.80 0.00 0.00 34.13 33.40 3ith s GLU 248 CO 0.54 -0.37 0.42 0.15 -1.33 0.00 0.00 175.26 174.67 3ith s LYS 249 N 2.66 1.37 0.18 -4.83 -0.14 -1.26 -5.07 119.74 112.64 3ith s LYS 249 Ca 0.03 -1.13 -0.09 0.00 -1.36 0.00 0.00 55.97 53.42 3ith s LYS 249 Cb -0.13 0.45 0.06 0.00 -1.68 0.00 0.00 37.83 36.53 3ith s LYS 249 CO -0.15 -0.55 1.63 -0.44 -0.76 0.00 0.00 175.35 175.09 3ith h ASP 250 N 2.35 1.06 -3.21 2.83 3.32 -2.03 -3.41 116.42 117.33 3ith h ASP 250 Ca -0.29 -0.31 -0.67 0.00 0.02 0.00 0.00 57.03 55.78 3ith h ASP 250 Cb 1.25 -0.29 -0.34 0.00 0.22 0.00 0.00 39.33 40.17 3ith h ASP 250 CO 0.41 1.12 -0.83 -0.44 -1.72 0.00 0.00 179.24 177.78 3ith s SER 251 N -6.59 3.49 -0.11 6.45 0.01 -1.26 -5.02 113.70 110.67 3ith s SER 251 Ca -0.12 -0.69 -0.06 0.00 1.31 0.00 0.00 55.95 56.39 3ith s SER 251 Cb 0.14 -1.54 -0.04 0.00 0.21 0.00 0.00 66.02 64.79 3ith s SER 251 CO 0.86 -0.03 0.13 0.26 0.41 0.00 0.00 173.24 174.87 3ith s TRP 252 N 1.30 3.55 0.66 2.43 0.52 -1.26 -5.04 118.94 121.10 3ith s TRP 252 Ca 0.04 0.48 0.02 0.00 0.02 0.00 0.00 56.10 56.65 3ith s TRP 252 Cb -0.14 -1.92 0.10 0.00 -1.15 0.00 0.00 33.47 30.37 3ith s TRP 252 CO -0.10 0.70 0.91 0.95 0.02 0.00 0.00 176.95 179.43 3ith s THR 253 N -1.03 2.24 0.28 2.01 -4.23 -1.26 -1.19 115.64 112.46 3ith s THR 253 Ca 0.15 -0.69 0.02 0.00 -1.18 0.00 0.00 61.69 59.99 3ith s THR 253 Cb -0.12 -2.54 0.06 0.00 1.34 0.00 0.00 72.50 71.24 3ith s THR 253 CO 0.05 0.00 1.71 0.58 -0.54 0.00 0.00 174.62 176.42 3ith h VAL 254 N -0.27 1.27 -0.02 2.29 2.07 -0.89 -2.50 116.25 118.19 3ith h VAL 254 Ca -0.36 -1.30 -0.00 0.00 0.82 0.00 0.00 66.70 65.86 3ith h VAL 254 Cb 1.28 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 32.42 3ith h VAL 254 CO 0.42 0.41 0.01 -1.13 0.02 0.00 0.00 177.57 177.30 3ith h ASN 255 N 0.42 0.04 -0.85 0.57 -0.00 -1.73 -0.59 115.58 113.43 3ith h ASN 255 Ca 0.06 -0.24 0.13 0.00 -0.00 0.00 0.00 56.30 56.25 3ith h ASN 255 Cb 0.69 -0.01 -0.06 0.00 -0.00 0.00 0.00 38.32 38.94 3ith h ASN 255 CO 0.05 0.26 0.55 0.44 -0.00 0.00 0.00 177.43 178.74 3ith h ASP 256 N -0.19 0.63 0.06 1.15 3.32 -1.83 0.75 116.42 120.32 3ith h ASP 256 Ca 0.01 0.03 -0.18 0.00 0.02 0.00 0.00 57.03 56.90 3ith h ASP 256 Cb 0.24 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 3ith h ASP 256 CO 0.00 0.34 -0.67 0.40 -1.72 0.00 0.00 179.24 177.59 3ith h ILE 257 N 0.68 1.33 -0.43 0.35 2.04 -1.13 -2.17 117.51 118.18 3ith h ILE 257 Ca 0.42 -1.96 -0.12 0.00 1.00 0.00 0.00 64.86 64.19 3ith h ILE 257 Cb 0.65 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 3ith h ILE 257 CO -0.18 0.61 -0.23 1.56 0.00 0.00 0.00 178.15 179.91 3ith h GLN 258 N 0.41 0.88 0.81 2.37 4.20 0.66 0.12 115.11 124.56 3ith h GLN 258 Ca -0.02 -0.37 -0.04 0.00 0.06 0.00 0.00 58.65 58.28 3ith h GLN 258 Cb 1.25 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 29.00 3ith h GLN 258 CO 0.13 1.01 -0.39 0.87 -0.67 0.00 0.00 178.83 179.78 3ith h LYS 259 N 0.76 -1.05 -0.98 1.46 1.79 -0.97 -2.31 116.57 115.27 3ith h LYS 259 Ca 0.10 0.07 0.17 0.00 -2.18 0.00 0.00 60.65 58.81 3ith h LYS 259 Cb 0.77 0.24 -0.17 0.00 -1.58 0.00 0.00 32.23 31.49 3ith h LYS 259 CO 0.06 -0.70 -0.34 -0.11 -1.08 0.00 0.00 179.45 177.28 3ith n LEU 260 N -5.47 -0.55 -0.29 2.94 7.94 -0.82 -0.72 117.00 120.03 3ith n LEU 260 Ca -0.13 1.71 -0.01 0.00 -1.11 0.00 0.00 56.01 56.46 3ith n LEU 260 Cb 0.43 -0.43 0.11 0.00 0.53 0.00 0.00 43.42 44.06 3ith n LEU 260 CO 0.33 -1.57 1.18 0.58 -1.11 0.00 0.00 177.39 176.80 3ith h VAL 261 N 0.00 1.09 -0.03 1.96 2.07 -0.72 -1.06 116.25 119.56 3ith h VAL 261 Ca 0.38 -0.33 -0.13 0.00 0.82 0.00 0.00 66.70 67.44 3ith h VAL 261 Cb 0.63 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3ith h VAL 261 CO -0.99 0.18 -0.58 1.23 0.02 0.00 0.00 177.57 177.43 3ith h GLY 262 N 0.96 0.11 0.48 2.17 0.00 -0.33 -0.39 103.07 106.07 3ith h GLY 262 Ca 0.33 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.53 3ith h GLY 262 CO -0.13 0.12 -0.01 1.70 0.00 0.00 0.00 176.54 178.22 3ith h LYS 263 N 0.08 -0.03 -0.72 4.80 3.64 -0.74 -2.13 116.57 121.47 3ith h LYS 263 Ca -0.00 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 3ith h LYS 263 Cb 1.04 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.82 3ith h LYS 263 CO 0.08 0.48 0.45 -0.07 -2.27 0.00 0.00 179.45 178.12 3ith h LEU 264 N -0.55 0.74 -0.77 5.20 3.38 -1.17 0.11 115.31 122.25 3ith h LEU 264 Ca -0.00 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 3ith h LEU 264 Cb 0.52 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3ith h LEU 264 CO 0.00 0.51 -0.08 -1.13 0.09 0.00 0.00 178.44 177.84 3ith h ASN 265 N 0.88 0.83 0.09 -0.43 -1.24 -1.09 -0.63 115.58 114.00 3ith h ASN 265 Ca 0.29 -0.24 -0.00 0.00 0.71 0.00 0.00 56.30 57.05 3ith h ASN 265 Cb 0.02 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 38.85 3ith h ASN 265 CO -0.11 0.94 -0.04 -0.25 -1.29 0.00 0.00 177.43 176.68 3ith h TRP 266 N 0.77 -0.11 -0.05 0.67 7.01 -1.03 -2.93 115.95 120.28 3ith h TRP 266 Ca 0.13 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.14 3ith h TRP 266 Cb 0.58 0.04 -0.00 0.00 -2.10 0.00 0.00 29.16 27.67 3ith h TRP 266 CO 0.03 0.09 0.19 0.00 -2.79 0.00 0.00 178.44 175.96 3ith h ALA 267 N 0.60 1.34 -0.18 2.65 0.00 -0.30 -1.23 119.26 122.15 3ith h ALA 267 Ca -0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3ith h ALA 267 Cb 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3ith h ALA 267 CO 0.02 -0.22 -0.09 0.66 0.00 0.00 0.00 179.25 179.62 3ith h SER 268 N 0.00 0.26 -0.63 0.00 4.64 -0.93 -0.77 113.55 116.12 3ith h SER 268 Ca 0.02 -0.05 0.17 0.00 -0.47 0.00 0.00 61.79 61.47 3ith h SER 268 Cb 0.40 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.40 3ith h SER 268 CO -0.00 0.39 0.45 1.56 -0.87 0.00 0.00 176.83 178.35 3ith h GLN 269 N 0.27 0.08 0.00 4.77 4.20 -1.36 -2.17 115.11 120.90 3ith h GLN 269 Ca 0.06 -0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.56 3ith h GLN 269 Cb 0.33 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.06 3ith h GLN 269 CO 0.02 0.05 -1.40 -0.89 -0.67 0.00 0.00 178.83 175.94 3ith n ILE 270 N -4.38 1.50 -3.63 2.54 5.41 -0.41 -4.68 119.36 115.71 3ith n ILE 270 Ca 0.12 -0.04 -0.39 0.00 1.00 0.00 0.00 62.75 63.44 3ith n ILE 270 Cb 0.65 -2.14 -0.08 0.00 -0.71 0.00 0.00 39.64 37.36 3ith n ILE 270 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 3ith s TYR 271 N -2.49 3.49 0.67 1.39 1.51 -0.55 -4.95 117.35 116.42 3ith s TYR 271 Ca -0.29 -2.58 0.34 0.00 -1.01 0.00 0.00 57.07 53.54 3ith s TYR 271 Cb 0.07 -3.34 1.86 0.00 -0.11 0.00 0.00 41.96 40.45 3ith s TYR 271 CO 0.45 -0.87 2.05 -1.00 -1.11 0.00 0.00 175.55 175.07 3ith h PRO 272 N 7.13 0.00 -3.07 -1.71 0.13 -1.65 -3.33 132.00 129.51 3ith h PRO 272 Ca 0.02 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.50 3ith h PRO 272 Cb 0.96 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.12 3ith h PRO 272 CO 0.72 0.00 3.75 0.41 -0.23 0.00 0.00 178.00 182.65 3ith n GLY 273 N -1.18 4.17 3.42 1.56 0.00 -1.26 -4.78 105.19 107.12 3ith n GLY 273 Ca -0.02 -1.45 0.01 0.00 0.00 0.00 0.00 46.02 44.55 3ith n GLY 273 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3ith s ILE 274 N 2.31 -0.98 0.25 -0.61 2.07 -1.25 -4.94 121.20 118.04 3ith s ILE 274 Ca 0.67 0.00 0.06 0.00 -1.41 0.00 0.00 60.65 59.97 3ith s ILE 274 Cb 0.17 -0.99 -0.03 0.00 0.13 0.00 0.00 42.46 41.74 3ith s ILE 274 CO -0.06 -0.00 0.32 -0.75 -1.91 0.00 0.00 174.94 172.54 3ith s LYS 275 N 2.87 3.31 0.00 3.50 2.47 -1.26 -4.89 119.74 125.73 3ith s LYS 275 Ca 0.05 -0.84 0.03 0.00 -1.56 0.00 0.00 55.97 53.65 3ith s LYS 275 Cb -0.13 -2.81 -0.01 0.00 -1.46 0.00 0.00 37.83 33.42 3ith s LYS 275 CO -0.20 0.41 0.25 0.28 0.16 0.00 0.00 175.35 176.26 3ith n VAL 276 N -1.36 0.00 -0.24 4.02 0.31 -1.26 -4.89 118.33 114.92 3ith n VAL 276 Ca -0.09 -0.46 -0.04 0.00 -0.01 0.00 0.00 64.34 63.75 3ith n VAL 276 Cb 0.57 1.02 0.02 0.00 -0.91 0.00 0.00 33.84 34.54 3ith n VAL 276 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3ith h ARG 277 N 0.16 -0.12 -1.00 5.55 2.43 -2.00 -0.87 114.38 118.54 3ith h ARG 277 Ca 0.00 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.27 3ith h ARG 277 Cb 0.08 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.58 3ith h ARG 277 CO 0.00 -0.08 0.64 1.96 -1.51 0.00 0.00 179.97 180.98 3ith h GLN 278 N -0.12 1.05 0.19 0.20 1.08 -1.90 -2.88 115.11 112.74 3ith h GLN 278 Ca 0.26 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.39 3ith h GLN 278 Cb 0.56 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 3ith h GLN 278 CO -0.73 0.70 -0.09 -0.07 -0.95 0.00 0.00 178.83 177.68 3ith h LEU 279 N 1.09 -0.21 -1.85 1.46 3.38 -1.49 -2.96 115.31 114.73 3ith h LEU 279 Ca 0.46 -0.29 0.37 0.00 0.09 0.00 0.00 57.88 58.51 3ith h LEU 279 Cb 0.31 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.05 3ith h LEU 279 CO -0.21 0.23 0.91 0.00 0.09 0.00 0.00 178.44 179.45 3ith h LYS 281 N 0.07 0.18 0.00 0.00 1.57 -1.33 -1.81 116.57 115.25 3ith h LYS 281 Ca 0.65 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.40 3ith h LYS 281 Cb 2.39 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.67 3ith h LYS 281 CO -0.09 0.24 0.00 1.28 -0.57 0.00 0.00 179.45 180.31 3ith n LEU 282 N -4.38 0.00 -0.00 2.94 4.77 0.58 -3.03 117.00 117.88 3ith n LEU 282 Ca -0.01 0.23 0.05 0.00 -0.03 0.00 0.00 56.01 56.25 3ith n LEU 282 Cb 0.18 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 40.99 3ith n LEU 282 CO 0.36 -0.03 -0.04 0.18 -1.33 0.00 0.00 177.39 176.54 3ith n LEU 283 N -1.23 0.50 -4.50 2.23 4.77 -0.70 -5.02 117.00 113.05 3ith n LEU 283 Ca 0.14 -0.49 -0.50 0.00 -0.03 0.00 0.00 56.01 55.13 3ith n LEU 283 Cb 0.19 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 3ith n LEU 283 CO 0.19 0.12 0.42 0.54 -1.33 0.00 0.00 177.39 177.33 3ith n ARG 284 N -1.26 0.53 0.00 3.23 1.74 -1.10 -4.61 116.66 115.18 3ith n ARG 284 Ca 0.02 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 3ith n ARG 284 Cb 0.17 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 3ith n ARG 284 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ith n GLY 285 N 1.81 0.75 2.40 -0.13 0.00 -1.26 -4.77 105.19 103.99 3ith n GLY 285 Ca 0.17 -1.75 -0.40 0.00 0.00 0.00 0.00 46.02 44.04 3ith n GLY 285 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ith n THR 286 N 0.79 4.49 -1.48 2.61 -1.04 -1.26 -4.99 114.28 113.41 3ith n THR 286 Ca 0.00 -3.08 -0.29 0.00 -2.04 0.00 0.00 64.05 58.64 3ith n THR 286 Cb 0.00 -2.48 0.16 0.00 -1.82 0.00 0.00 70.33 66.19 3ith n THR 286 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3ith s LYS 287 N 1.39 0.65 0.42 -2.82 1.02 -1.26 -5.05 119.74 114.09 3ith s LYS 287 Ca 0.64 0.18 -0.12 0.00 0.02 0.00 0.00 55.97 56.68 3ith s LYS 287 Cb 0.18 -1.79 -0.07 0.00 -0.52 0.00 0.00 37.83 35.63 3ith s LYS 287 CO -0.07 -2.51 0.81 0.00 -0.92 0.00 0.00 175.35 172.66 3ith s ALA 288 N -3.28 3.29 0.16 5.17 0.00 -1.26 -4.99 121.76 120.85 3ith s ALA 288 Ca 0.66 -0.11 -0.16 0.00 0.00 0.00 0.00 51.96 52.36 3ith s ALA 288 Cb -0.13 -2.79 0.02 0.00 0.00 0.00 0.00 23.12 20.22 3ith s ALA 288 CO 0.54 -0.03 1.81 -0.07 0.00 0.00 0.00 175.76 178.01 3ith h LEU 289 N 1.26 0.50 -0.29 0.00 3.38 -1.96 -3.05 115.31 115.15 3ith h LEU 289 Ca -0.47 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.47 3ith h LEU 289 Cb 1.19 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3ith h LEU 289 CO 0.63 0.38 -0.04 0.35 0.09 0.00 0.00 178.44 179.85 3ith n THR 290 N -4.77 0.00 -2.03 0.22 -2.24 -1.26 -2.17 114.28 102.02 3ith n THR 290 Ca 0.01 -0.08 -0.40 0.00 -2.27 0.00 0.00 64.05 61.31 3ith n THR 290 Cb 0.03 -0.13 -0.01 0.00 -2.10 0.00 0.00 70.33 68.13 3ith n THR 290 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3ith s GLU 291 N -2.22 4.12 -0.12 -0.78 2.12 -1.15 -4.79 118.70 115.87 3ith s GLU 291 Ca 0.37 2.24 -0.21 0.00 0.36 0.00 0.00 54.97 57.74 3ith s GLU 291 Cb 0.21 -2.89 -0.04 0.00 0.26 0.00 0.00 34.13 31.67 3ith s GLU 291 CO 0.41 -0.40 0.60 0.08 -0.54 0.00 0.00 175.26 175.41 3ith s VAL 292 N -1.20 5.09 -0.06 3.70 1.01 -1.26 -1.62 120.40 126.07 3ith s VAL 292 Ca 0.54 1.20 0.04 0.00 0.00 0.00 0.00 61.98 63.76 3ith s VAL 292 Cb -0.40 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 3ith s VAL 292 CO 0.53 0.24 -0.19 -0.63 0.00 0.00 0.00 175.10 175.05 3ith s ILE 293 N 1.02 2.64 0.10 2.22 1.09 -0.33 -4.97 121.20 122.97 3ith s ILE 293 Ca 0.31 -0.87 -0.22 0.00 -1.10 0.00 0.00 60.65 58.78 3ith s ILE 293 Cb -0.16 -2.01 -0.07 0.00 -1.06 0.00 0.00 42.46 39.16 3ith s ILE 293 CO 0.13 0.57 0.66 -2.16 -0.10 0.00 0.00 174.94 174.04 3ith s PRO 294 N -0.41 4.36 -0.03 2.79 0.04 -1.26 -4.06 135.00 136.43 3ith s PRO 294 Ca 0.04 0.91 -0.30 0.00 0.04 0.00 0.00 61.00 61.69 3ith s PRO 294 Cb -0.12 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.12 3ith s PRO 294 CO 0.02 0.57 1.22 -0.51 0.04 0.00 0.00 177.00 178.34 3ith s LEU 295 N -0.99 4.30 -0.37 -3.56 1.43 -1.26 -4.94 118.68 113.29 3ith s LEU 295 Ca 0.32 1.87 -0.32 0.00 -1.03 0.00 0.00 54.13 54.98 3ith s LEU 295 Cb -0.21 -3.56 -0.10 0.00 0.03 0.00 0.00 46.19 42.36 3ith s LEU 295 CO 0.22 -0.58 2.26 0.41 0.23 0.00 0.00 176.35 178.89 3ith n THR 296 N 4.51 0.18 0.13 5.49 -1.04 -1.26 -4.76 114.28 117.54 3ith n THR 296 Ca 0.11 -0.38 0.03 0.00 -2.04 0.00 0.00 64.05 61.77 3ith n THR 296 Cb 0.46 -2.01 0.14 0.00 -1.82 0.00 0.00 70.33 67.11 3ith n THR 296 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 3ith n GLU 297 N 8.49 0.04 -1.02 -2.82 0.00 -1.26 0.28 120.64 124.36 3ith n GLU 297 Ca 0.39 0.45 -0.17 0.00 0.00 0.00 0.00 57.16 57.83 3ith n GLU 297 Cb 0.32 -2.13 0.18 0.00 0.00 0.00 0.00 31.44 29.82 3ith n GLU 297 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3ith n GLU 298 N -1.75 2.38 0.00 3.44 1.02 -1.26 -3.35 120.64 121.12 3ith n GLU 298 Ca -0.00 -2.60 0.00 0.00 -0.02 0.00 0.00 57.16 54.54 3ith n GLU 298 Cb 0.50 -2.03 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 3ith n GLU 298 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ith n ALA 299 N -0.72 0.00 0.41 0.62 0.00 0.81 -4.52 120.51 117.12 3ith n ALA 299 Ca 0.48 0.00 0.13 0.00 0.00 0.00 0.00 53.44 54.05 3ith n ALA 299 Cb 1.45 0.00 0.42 0.00 0.00 0.00 0.00 19.45 21.32 3ith n ALA 299 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3ith h GLU 300 N 0.00 0.00 0.13 0.00 4.81 -0.40 -2.33 114.58 116.80 3ith h GLU 300 Ca 0.00 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.88 3ith h GLU 300 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3ith h GLU 300 CO 0.00 0.00 -1.86 1.25 -0.73 0.00 0.00 179.01 177.67 3ith h LEU 301 N 0.00 0.43 -1.27 1.64 6.46 -1.77 -3.25 115.31 117.55 3ith h LEU 301 Ca 0.00 -0.82 0.07 0.00 -0.12 0.00 0.00 57.88 57.01 3ith h LEU 301 Cb 0.67 -0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 40.41 3ith h LEU 301 CO 0.00 1.72 0.54 -0.08 -0.62 0.00 0.00 178.44 180.00 3ith h GLU 302 N 0.07 0.84 0.72 1.25 4.81 -1.76 -1.64 114.58 118.88 3ith h GLU 302 Ca -0.37 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 58.77 3ith h GLU 302 Cb 2.05 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 31.24 3ith h GLU 302 CO 0.12 0.56 -0.41 1.25 -0.73 0.00 0.00 179.01 179.80 3ith h LEU 303 N 0.87 -1.01 -1.90 1.64 6.46 -1.50 -2.44 115.31 117.43 3ith h LEU 303 Ca 0.36 0.05 0.16 0.00 -0.12 0.00 0.00 57.88 58.33 3ith h LEU 303 Cb 0.28 0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 40.47 3ith h LEU 303 CO -0.13 -0.65 0.44 0.00 -0.62 0.00 0.00 178.44 177.48 3ith h ALA 304 N -1.36 2.44 0.65 1.25 0.00 -1.55 0.65 119.26 121.34 3ith h ALA 304 Ca -0.10 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3ith h ALA 304 Cb 0.83 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3ith h ALA 304 CO 0.12 -0.62 -0.44 0.93 0.00 0.00 0.00 179.25 179.24 3ith h GLU 305 N 0.10 -1.00 -0.26 0.00 4.39 -1.02 -2.74 114.58 114.06 3ith h GLU 305 Ca 0.30 0.07 -0.14 0.00 0.34 0.00 0.00 59.36 59.93 3ith h GLU 305 Cb 1.05 0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.92 3ith h GLU 305 CO -0.03 -0.66 -0.41 -0.91 -1.16 0.00 0.00 179.01 175.83 3ith h ASN 306 N -1.04 0.67 -0.21 1.42 -0.26 -0.79 -2.33 115.58 113.04 3ith h ASN 306 Ca -0.09 -0.31 0.06 0.00 -0.56 0.00 0.00 56.30 55.41 3ith h ASN 306 Cb 0.84 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.91 3ith h ASN 306 CO 0.06 1.00 0.29 -0.09 -1.06 0.00 0.00 177.43 177.63 3ith h ARG 307 N 0.51 0.00 0.04 0.81 2.43 0.29 -0.96 114.38 117.50 3ith h ARG 307 Ca 0.04 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.84 3ith h ARG 307 Cb 0.94 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.43 3ith h ARG 307 CO 0.08 0.00 -2.25 0.39 -1.51 0.00 0.00 179.97 176.68 3ith n GLU 308 N -3.58 0.69 0.13 0.20 -0.58 -1.04 -3.78 120.64 112.69 3ith n GLU 308 Ca 0.02 0.18 0.07 0.00 -0.42 0.00 0.00 57.16 57.02 3ith n GLU 308 Cb 0.41 -1.60 0.40 0.00 -0.57 0.00 0.00 31.44 30.08 3ith n GLU 308 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 3ith n ILE 309 N -3.24 1.07 0.92 -3.67 5.41 -0.48 0.12 119.36 119.49 3ith n ILE 309 Ca -0.37 0.69 0.10 0.00 1.00 0.00 0.00 62.75 64.17 3ith n ILE 309 Cb 1.04 -1.69 0.02 0.00 -0.71 0.00 0.00 39.64 38.30 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 -2.02 2.14 -0.06 1.39 4.32 -0.53 -4.51 117.00 117.73 3ith n LEU 310 Ca -0.01 -0.82 -0.06 0.00 -0.02 0.00 0.00 56.01 55.10 3ith n LEU 310 Cb 0.12 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 41.88 3ith n LEU 310 CO 0.07 0.39 0.00 0.11 -1.22 0.00 0.00 177.39 176.74 3ith h LYS 311 N 2.76 0.00 -6.26 3.23 1.57 0.76 -3.38 116.57 115.26 3ith h LYS 311 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 3ith h LYS 311 Cb 0.75 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 3ith h LYS 311 CO 0.00 0.32 0.74 -2.00 -0.57 0.00 0.00 179.45 177.94 3ith s GLU 312 N -1.88 4.33 0.77 3.15 2.12 -1.14 -4.99 118.70 121.06 3ith s GLU 312 Ca -0.09 1.63 -0.15 0.00 0.36 0.00 0.00 54.97 56.72 3ith s GLU 312 Cb 0.00 -3.61 0.01 0.00 0.26 0.00 0.00 34.13 30.79 3ith s GLU 312 CO 0.25 -0.51 0.79 -0.35 -0.54 0.00 0.00 175.26 174.90 3ith n PRO 313 N 5.57 0.26 -0.89 4.30 -0.04 -1.26 -4.94 135.00 137.98 3ith n PRO 313 Ca 0.11 0.14 -0.31 0.00 -0.04 0.00 0.00 63.50 63.41 3ith n PRO 313 Cb 0.46 -2.08 0.14 0.00 -0.04 0.00 0.00 33.50 31.98 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 -2.00 2.50 0.10 0.52 1.01 -1.26 -5.07 120.40 116.20 3ith s VAL 314 Ca 0.68 0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.81 3ith s VAL 314 Cb -0.32 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 3ith s VAL 314 CO 0.55 -0.21 0.04 -1.00 0.00 0.00 0.00 175.10 174.48 3ith s HIS 315 N -2.74 0.68 0.00 5.22 3.76 -1.26 -4.86 115.29 116.09 3ith s HIS 315 Ca 0.65 -1.13 0.00 0.00 -0.15 0.00 0.00 55.06 54.43 3ith s HIS 315 Cb -0.21 -0.41 0.00 0.00 1.11 0.00 0.00 32.58 33.07 3ith s HIS 315 CO 0.58 -0.47 0.00 0.41 -0.85 0.00 0.00 174.74 174.40 3ith n GLY 316 N -0.02 1.23 3.35 -2.22 0.00 -1.26 -5.05 105.19 101.23 3ith n GLY 316 Ca -0.09 -0.05 -0.46 0.00 0.00 0.00 0.00 46.02 45.42 3ith n GLY 316 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ith s VAL 317 N -2.00 5.79 -0.44 1.61 -7.23 -1.26 -5.00 120.40 111.87 3ith s VAL 317 Ca 0.00 -3.02 -0.23 0.00 -1.81 0.00 0.00 61.98 56.91 3ith s VAL 317 Cb 0.00 -4.59 0.02 0.00 0.56 0.00 0.00 36.38 32.38 3ith s VAL 317 CO 0.00 -1.17 0.80 -0.72 -0.31 0.00 0.00 175.10 173.69 3ith s TYR 318 N -0.53 3.00 -0.33 2.82 -0.85 -1.26 -5.01 117.35 115.20 3ith s TYR 318 Ca 0.27 0.24 -0.29 0.00 -0.52 0.00 0.00 57.07 56.78 3ith s TYR 318 Cb -0.09 -3.65 0.00 0.00 0.38 0.00 0.00 41.96 38.60 3ith s TYR 318 CO -0.08 -0.96 1.38 -0.47 -1.52 0.00 0.00 175.55 173.90 3ith s TYR 319 N 3.30 2.52 -0.31 -3.49 5.04 -1.26 -5.00 117.35 118.15 3ith s TYR 319 Ca 0.31 0.77 -0.12 0.00 -2.44 0.00 0.00 57.07 55.59 3ith s TYR 319 Cb -0.12 -4.05 -0.03 0.00 0.35 0.00 0.00 41.96 38.11 3ith s TYR 319 CO 0.22 -1.95 0.21 0.34 -1.34 0.00 0.00 175.55 173.02 3ith s ASP 320 N 3.36 5.97 0.00 4.32 -1.08 -1.26 -4.96 116.67 123.01 3ith s ASP 320 Ca 0.60 -0.24 0.15 0.00 -0.52 0.00 0.00 52.55 52.54 3ith s ASP 320 Cb -0.17 -2.11 0.69 0.00 -1.46 0.00 0.00 42.92 39.87 3ith s ASP 320 CO 0.27 -0.14 1.48 -2.65 0.52 0.00 0.00 175.17 174.65 3ith n PRO 321 N 5.07 0.06 0.00 4.34 -0.02 -1.26 -2.32 135.00 140.87 3ith n PRO 321 Ca -0.13 0.21 0.12 0.00 -2.02 0.00 0.00 63.50 61.68 3ith n PRO 321 Cb 0.51 -1.50 0.16 0.00 -0.02 0.00 0.00 33.50 32.65 3ith n PRO 321 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3ith n SER 322 N -1.44 1.58 -4.54 2.55 3.41 -1.26 -4.89 113.62 109.02 3ith n SER 322 Ca 0.05 -1.24 -0.34 0.00 -0.26 0.00 0.00 58.87 57.08 3ith n SER 322 Cb 0.17 0.34 -0.12 0.00 -0.26 0.00 0.00 64.21 64.33 3ith n SER 322 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3ith s LYS 323 N -2.49 2.79 0.36 4.33 1.02 -0.98 -5.09 119.74 119.67 3ith s LYS 323 Ca 0.21 -0.58 -0.29 0.00 0.02 0.00 0.00 55.97 55.33 3ith s LYS 323 Cb 0.19 -2.57 -0.11 0.00 -0.52 0.00 0.00 37.83 34.82 3ith s LYS 323 CO 0.55 0.61 1.51 -0.51 -0.92 0.00 0.00 175.35 176.59 3ith s ASP 324 N -0.66 6.36 0.58 2.83 1.01 -1.26 -4.91 116.67 120.62 3ith s ASP 324 Ca 0.10 3.02 -0.17 0.00 0.71 0.00 0.00 52.55 56.21 3ith s ASP 324 Cb -0.11 -2.66 -0.04 0.00 1.01 0.00 0.00 42.92 41.12 3ith s ASP 324 CO 0.02 -0.88 1.08 -0.76 0.21 0.00 0.00 175.17 174.84 3ith s LEU 325 N -1.71 3.57 -0.03 1.23 1.43 -1.26 -4.71 118.68 117.20 3ith s LEU 325 Ca 0.55 1.94 0.00 0.00 -1.03 0.00 0.00 54.13 55.59 3ith s LEU 325 Cb -0.47 -4.55 0.03 0.00 0.03 0.00 0.00 46.19 41.23 3ith s LEU 325 CO 0.59 -1.23 0.01 -0.63 0.23 0.00 0.00 176.35 175.32 3ith s ILE 326 N -2.24 0.14 -0.14 -0.59 1.01 -0.15 -1.75 121.20 117.48 3ith s ILE 326 Ca 0.66 0.11 0.02 0.00 0.00 0.00 0.00 60.65 61.44 3ith s ILE 326 Cb -0.18 -0.24 0.01 0.00 0.01 0.00 0.00 42.46 42.06 3ith s ILE 326 CO 0.34 0.14 -0.22 0.00 0.00 0.00 0.00 174.94 175.20 3ith s ALA 327 N 1.03 2.22 -0.05 9.38 0.00 -1.09 -0.83 121.76 132.42 3ith s ALA 327 Ca -0.10 -1.08 -0.01 0.00 0.00 0.00 0.00 51.96 50.77 3ith s ALA 327 Cb -0.13 -1.00 -0.03 0.00 0.00 0.00 0.00 23.12 21.95 3ith s ALA 327 CO -0.02 -0.05 0.01 -1.21 0.00 0.00 0.00 175.76 174.49 3ith s GLU 328 N 0.85 2.95 0.06 0.00 2.02 -0.27 -1.20 118.70 123.11 3ith s GLU 328 Ca -0.06 -0.46 0.09 0.00 0.02 0.00 0.00 54.97 54.55 3ith s GLU 328 Cb -0.15 -2.77 -0.03 0.00 0.10 0.00 0.00 34.13 31.27 3ith s GLU 328 CO -0.03 0.68 -0.24 0.42 0.02 0.00 0.00 175.26 176.11 3ith s ILE 329 N -0.98 2.36 -0.03 -1.63 1.01 -1.25 -1.46 121.20 119.23 3ith s ILE 329 Ca 0.16 -1.41 0.03 0.00 0.00 0.00 0.00 60.65 59.43 3ith s ILE 329 Cb -0.11 -1.97 -0.00 0.00 0.01 0.00 0.00 42.46 40.38 3ith s ILE 329 CO 0.06 0.30 -0.13 -1.10 0.00 0.00 0.00 174.94 174.07 3ith s GLN 330 N -1.49 1.30 -0.13 2.79 1.11 0.27 -4.51 119.66 119.00 3ith s GLN 330 Ca 0.13 -0.44 -0.26 0.00 0.01 0.00 0.00 55.36 54.80 3ith s GLN 330 Cb -0.10 -1.18 -0.02 0.00 -1.01 0.00 0.00 33.01 30.70 3ith s GLN 330 CO 0.04 0.18 0.84 0.21 0.01 0.00 0.00 175.29 176.57 3ith s LYS 331 N 0.10 4.36 -0.10 2.91 2.20 -1.26 -1.96 119.74 125.99 3ith s LYS 331 Ca -0.03 1.07 0.15 0.00 -0.36 0.00 0.00 55.97 56.80 3ith s LYS 331 Cb -0.10 -3.54 0.48 0.00 -1.51 0.00 0.00 37.83 33.17 3ith s LYS 331 CO 0.01 -0.23 1.40 1.04 -0.36 0.00 0.00 175.35 177.21 3ith n GLN 332 N 4.82 3.09 -1.37 4.03 1.13 -0.76 -4.99 117.38 123.33 3ith n GLN 332 Ca 0.04 -2.55 0.19 0.00 -1.94 0.00 0.00 57.00 52.74 3ith n GLN 332 Cb 0.49 -1.64 -0.05 0.00 0.11 0.00 0.00 30.24 29.16 3ith n GLN 332 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3ith n GLY 333 N 0.19 -1.90 2.23 1.08 0.00 -1.26 -4.72 105.19 100.81 3ith n GLY 333 Ca 0.18 -1.17 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 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 -4.09 -1.75 -2.88 1.61 1.13 -1.26 -1.05 117.38 109.08 3ith n GLN 334 Ca 0.01 0.70 -0.18 0.00 -1.94 0.00 0.00 57.00 55.59 3ith n GLN 334 Cb 0.62 -5.13 0.03 0.00 0.11 0.00 0.00 30.24 25.87 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 -0.55 -0.25 3.42 1.08 0.00 -1.26 -4.75 105.19 102.87 3ith n GLY 335 Ca -0.14 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 3ith n GLY 335 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ith s GLN 336 N -5.48 2.02 -0.07 1.61 2.00 -0.22 -3.29 119.66 116.23 3ith s GLN 336 Ca 0.25 -1.00 -0.03 0.00 -2.00 0.00 0.00 55.36 52.58 3ith s GLN 336 Cb -0.11 -2.13 0.04 0.00 0.80 0.00 0.00 33.01 31.61 3ith s GLN 336 CO 0.31 0.54 0.15 -1.58 -0.50 0.00 0.00 175.29 174.21 3ith s TRP 337 N -0.87 -0.18 0.02 1.67 0.52 0.13 -1.83 118.94 118.40 3ith s TRP 337 Ca 0.13 0.52 -0.02 0.00 0.02 0.00 0.00 56.10 56.76 3ith s TRP 337 Cb -0.10 -0.10 -0.04 0.00 -1.15 0.00 0.00 33.47 32.07 3ith s TRP 337 CO 0.04 -0.19 0.19 0.95 0.02 0.00 0.00 176.95 177.96 3ith s THR 338 N 1.35 5.38 0.00 2.01 -4.23 -0.83 0.15 115.64 119.48 3ith s THR 338 Ca -0.07 -0.26 -0.06 0.00 -1.18 0.00 0.00 61.69 60.12 3ith s THR 338 Cb -0.12 -3.56 -0.00 0.00 1.34 0.00 0.00 72.50 70.17 3ith s THR 338 CO -0.06 0.26 0.11 -0.72 -0.54 0.00 0.00 174.62 173.66 3ith s TYR 339 N -1.39 0.07 -0.06 3.99 -0.85 -0.47 -0.57 117.35 118.07 3ith s TYR 339 Ca 0.30 -0.19 0.02 0.00 -0.52 0.00 0.00 57.07 56.68 3ith s TYR 339 Cb -0.13 -0.07 0.01 0.00 0.38 0.00 0.00 41.96 42.15 3ith s TYR 339 CO 0.22 -0.26 -0.11 -0.65 -1.52 0.00 0.00 175.55 173.23 3ith s GLN 340 N -1.33 1.55 -0.16 -3.49 1.11 -0.54 -2.09 119.66 114.70 3ith s GLN 340 Ca -0.14 -0.38 -0.10 0.00 0.01 0.00 0.00 55.36 54.75 3ith s GLN 340 Cb -0.08 -1.31 -0.05 0.00 -1.01 0.00 0.00 33.01 30.57 3ith s GLN 340 CO 0.01 0.03 0.17 0.42 0.01 0.00 0.00 175.29 175.93 3ith s ILE 341 N 0.62 5.41 0.21 1.08 1.01 -0.59 -1.11 121.20 127.84 3ith s ILE 341 Ca -0.13 0.27 -0.20 0.00 0.00 0.00 0.00 60.65 60.59 3ith s ILE 341 Cb -0.15 -3.48 0.04 0.00 0.01 0.00 0.00 42.46 38.87 3ith s ILE 341 CO 0.03 0.49 0.60 -0.72 0.00 0.00 0.00 174.94 175.34 3ith s TYR 342 N -0.06 -0.23 0.00 3.97 -0.85 -0.01 -0.85 117.35 119.32 3ith s TYR 342 Ca 0.12 -0.11 0.00 0.00 -0.52 0.00 0.00 57.07 56.56 3ith s TYR 342 Cb -0.12 0.52 0.00 0.00 0.38 0.00 0.00 41.96 42.75 3ith s TYR 342 CO 0.01 -1.00 0.00 1.04 -1.52 0.00 0.00 175.55 174.08 3ith n GLN 343 N -0.39 2.47 -5.21 -3.49 6.02 -1.26 -0.97 117.38 114.55 3ith n GLN 343 Ca -0.10 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.59 3ith n GLN 343 Cb 0.62 -0.93 -0.16 0.00 1.02 0.00 0.00 30.24 30.78 3ith n GLN 343 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 3ith s GLU 344 N -1.87 2.20 -0.13 -1.09 2.56 -1.26 -4.96 118.70 114.16 3ith s GLU 344 Ca 0.00 -0.86 -0.37 0.00 0.00 0.00 0.00 54.97 53.74 3ith s GLU 344 Cb 0.00 -1.99 -0.14 0.00 2.00 0.00 0.00 34.13 34.00 3ith s GLU 344 CO 0.00 0.44 1.74 -0.35 -0.56 0.00 0.00 175.26 176.53 3ith n PRO 345 N 2.74 1.64 -1.06 4.30 -0.04 -1.26 -0.66 135.00 140.66 3ith n PRO 345 Ca -0.17 0.60 -0.02 0.00 -0.04 0.00 0.00 63.50 63.87 3ith n PRO 345 Cb 0.52 -2.35 -0.01 0.00 -0.04 0.00 0.00 33.50 31.62 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 5.38 0.00 -3.58 0.54 3.72 -1.26 -4.97 117.46 117.30 3ith n PHE 346 Ca 0.23 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.36 3ith n PHE 346 Cb 0.21 -0.71 -0.10 0.00 -0.94 0.00 0.00 39.48 37.94 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 -2.62 1.70 -2.12 -1.08 5.02 0.17 -4.72 118.16 114.51 3ith n LYS 347 Ca -0.02 -4.21 -0.42 0.00 -2.02 0.00 0.00 58.31 51.64 3ith n LYS 347 Cb 0.11 -2.06 -0.03 0.00 -0.02 0.00 0.00 35.03 33.03 3ith n LYS 347 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3ith s ASN 348 N -1.56 6.77 0.26 4.39 0.01 -1.26 -4.16 114.94 119.38 3ith s ASN 348 Ca 0.32 2.34 0.15 0.00 -0.71 0.00 0.00 52.86 54.96 3ith s ASN 348 Cb 0.06 -2.58 0.04 0.00 0.41 0.00 0.00 41.25 39.18 3ith s ASN 348 CO -0.11 -0.72 1.39 -0.07 -1.51 0.00 0.00 177.10 176.08 3ith h LEU 349 N 7.34 0.00 -7.00 0.60 3.38 -1.36 -3.48 115.31 114.78 3ith h LEU 349 Ca -0.41 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.58 3ith h LEU 349 Cb 1.20 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.80 3ith h LEU 349 CO 0.89 0.53 0.34 -0.75 0.09 0.00 0.00 178.44 179.53 3ith s LYS 350 N -2.95 1.03 0.16 1.13 2.20 -1.01 -5.01 119.74 115.29 3ith s LYS 350 Ca 0.03 -0.25 -0.07 0.00 -0.36 0.00 0.00 55.97 55.33 3ith s LYS 350 Cb 0.08 0.48 -0.02 0.00 -1.51 0.00 0.00 37.83 36.86 3ith s LYS 350 CO 0.75 -0.42 0.23 0.95 -0.36 0.00 0.00 175.35 176.50 3ith s THR 351 N -2.92 0.07 0.00 3.43 -4.23 -1.26 -1.54 115.64 109.19 3ith s THR 351 Ca 0.00 -1.53 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 3ith s THR 351 Cb -0.01 -1.92 0.00 0.00 1.34 0.00 0.00 72.50 71.91 3ith s THR 351 CO -0.07 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 174.30 3ith n GLY 352 N -0.19 0.36 3.99 3.99 0.00 -0.89 -3.65 105.19 108.81 3ith n GLY 352 Ca -0.06 -0.86 -0.19 0.00 0.00 0.00 0.00 46.02 44.91 3ith n GLY 352 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ith s LYS 353 N -2.00 2.58 -0.21 1.61 1.02 -1.26 -1.37 119.74 120.11 3ith s LYS 353 Ca 0.00 -1.46 -0.09 0.00 0.02 0.00 0.00 55.97 54.44 3ith s LYS 353 Cb 0.00 -2.63 0.08 0.00 -0.52 0.00 0.00 37.83 34.76 3ith s LYS 353 CO 0.00 -0.48 0.48 -0.47 -0.92 0.00 0.00 175.35 173.96 3ith s TYR 354 N -2.50 -0.83 -0.42 3.18 5.04 0.12 -4.90 117.35 117.04 3ith s TYR 354 Ca 0.55 1.61 0.05 0.00 -2.44 0.00 0.00 57.07 56.85 3ith s TYR 354 Cb -0.07 0.39 0.19 0.00 0.35 0.00 0.00 41.96 42.82 3ith s TYR 354 CO 0.34 -0.46 0.45 0.00 -1.34 0.00 0.00 175.55 174.53 3ith n ALA 355 N 4.89 1.96 -0.05 3.97 0.00 -1.26 0.17 120.51 130.18 3ith n ALA 355 Ca -0.15 -2.80 -0.00 0.00 0.00 0.00 0.00 53.44 50.49 3ith n ALA 355 Cb 0.52 -0.89 -0.00 0.00 0.00 0.00 0.00 19.45 19.09 3ith n ALA 355 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3ith h ARG 356 N 5.19 0.00 0.00 0.00 9.65 -1.91 -3.44 114.38 123.87 3ith h ARG 356 Ca 0.19 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.07 3ith h ARG 356 Cb 0.94 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.52 3ith h ARG 356 CO 0.33 0.00 0.00 -0.12 2.80 0.00 0.00 179.97 182.98 3ith n MET 357 N -4.75 0.00 -1.43 0.20 0.00 -1.25 -4.60 117.12 105.28 3ith n MET 357 Ca -0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 57.70 57.19 3ith n MET 357 Cb 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 33.22 33.16 3ith n MET 357 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 3ith n ARG 358 N 0.00 0.94 0.00 2.12 5.12 -1.26 -4.05 116.66 119.53 3ith n ARG 358 Ca 0.00 0.24 0.00 0.00 -1.93 0.00 0.00 57.85 56.16 3ith n ARG 358 Cb 0.00 -2.38 0.00 0.00 -1.16 0.00 0.00 32.46 28.92 3ith n ARG 358 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ith n GLY 359 N 6.61 -0.56 0.00 -0.13 0.00 -1.26 -4.97 105.19 104.88 3ith n GLY 359 Ca 0.43 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.67 3ith n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ith n ALA 360 N -0.25 1.14 -2.77 4.61 0.00 -1.26 -5.00 120.51 116.98 3ith n ALA 360 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3ith n ALA 360 Cb 0.00 0.04 0.01 0.00 0.00 0.00 0.00 19.45 19.50 3ith n ALA 360 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3ith n HIS 361 N -0.73 2.53 -1.25 0.00 -0.00 -1.26 -4.85 115.22 109.66 3ith n HIS 361 Ca 0.00 -2.57 -0.25 0.00 -0.00 0.00 0.00 57.72 54.90 3ith n HIS 361 Cb 0.08 -1.25 -0.10 0.00 -0.00 0.00 0.00 29.99 28.72 3ith n HIS 361 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 3ith n THR 362 N 0.63 3.68 -3.97 0.61 -1.04 -1.26 -4.67 114.28 108.26 3ith n THR 362 Ca 0.38 -2.29 -0.34 0.00 -2.04 0.00 0.00 64.05 59.76 3ith n THR 362 Cb 0.29 -2.16 -0.14 0.00 -1.82 0.00 0.00 70.33 66.50 3ith n THR 362 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3ith s ASN 363 N 1.71 4.74 0.18 8.00 3.84 -1.26 -5.03 114.94 127.12 3ith s ASN 363 Ca 0.66 -1.47 -0.23 0.00 0.21 0.00 0.00 52.86 52.03 3ith s ASN 363 Cb 0.27 -1.65 0.08 0.00 -0.55 0.00 0.00 41.25 39.40 3ith s ASN 363 CO -0.06 -0.27 1.57 0.44 -2.79 0.00 0.00 177.10 176.00 3ith h ASP 364 N 7.88 -1.39 -0.58 -4.21 3.32 -1.99 0.12 116.42 119.57 3ith h ASP 364 Ca -0.18 0.25 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 3ith h ASP 364 Cb 1.05 0.65 -0.03 0.00 0.22 0.00 0.00 39.33 41.22 3ith h ASP 364 CO 0.52 -0.32 0.30 0.58 -1.72 0.00 0.00 179.24 178.59 3ith h VAL 365 N -0.18 1.20 0.58 -1.35 2.07 -1.98 0.28 116.25 116.87 3ith h VAL 365 Ca 0.21 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 3ith h VAL 365 Cb 0.56 0.41 0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3ith h VAL 365 CO -0.71 0.23 -0.28 0.50 0.02 0.00 0.00 177.57 177.33 3ith h LYS 366 N 0.86 -0.76 -0.60 1.57 3.64 -1.49 -1.20 116.57 118.59 3ith h LYS 366 Ca 0.21 0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.73 3ith h LYS 366 Cb 0.08 0.17 -0.07 0.00 -0.41 0.00 0.00 32.23 32.00 3ith h LYS 366 CO -0.03 -0.47 0.23 1.96 -2.27 0.00 0.00 179.45 178.88 3ith h GLN 367 N -0.89 0.41 -0.14 1.90 4.20 -0.34 -0.73 115.11 119.51 3ith h GLN 367 Ca -0.08 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 3ith h GLN 367 Cb 0.64 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 3ith h GLN 367 CO 0.13 0.27 0.06 1.25 -0.67 0.00 0.00 178.83 179.88 3ith h LEU 368 N 0.42 0.19 -1.19 1.46 5.85 -0.42 0.16 115.31 121.79 3ith h LEU 368 Ca 0.30 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.93 3ith h LEU 368 Cb 0.36 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 3ith h LEU 368 CO -0.29 0.29 0.56 0.74 -0.34 0.00 0.00 178.44 179.40 3ith h THR 369 N 0.09 1.09 -0.36 1.05 2.02 -0.88 0.22 112.91 116.14 3ith h THR 369 Ca 0.05 -0.34 -0.10 0.00 0.77 0.00 0.00 66.41 66.78 3ith h THR 369 Cb 0.15 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.55 3ith h THR 369 CO -0.00 0.18 -0.18 -0.33 0.37 0.00 0.00 175.52 175.56 3ith h GLU 370 N 1.00 0.76 -0.04 6.66 5.08 -0.73 -2.55 114.58 124.76 3ith h GLU 370 Ca 0.36 -0.34 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 3ith h GLU 370 Cb 0.14 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 3ith h GLU 370 CO -0.12 0.95 -0.30 0.00 -1.00 0.00 0.00 179.01 178.54 3ith h ALA 371 N 0.79 -0.39 -0.74 3.43 0.00 0.52 -0.73 119.26 122.13 3ith h ALA 371 Ca 0.08 0.00 0.20 0.00 0.00 0.00 0.00 54.91 55.19 3ith h ALA 371 Cb 0.73 0.54 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 3ith h ALA 371 CO 0.05 -0.80 0.52 0.28 0.00 0.00 0.00 179.25 179.31 3ith h VAL 372 N -0.42 0.67 -0.00 0.00 2.07 -0.49 0.06 116.25 118.13 3ith h VAL 372 Ca 0.07 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.52 3ith h VAL 372 Cb 0.53 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 3ith h VAL 372 CO -0.28 0.02 -0.16 1.56 0.02 0.00 0.00 177.57 178.72 3ith h GLN 373 N 0.10 0.12 -0.99 1.57 4.20 -0.82 -2.97 115.11 116.32 3ith h GLN 373 Ca 0.36 -0.12 0.20 0.00 0.06 0.00 0.00 58.65 59.14 3ith h GLN 373 Cb 1.26 0.03 -0.10 0.00 0.30 0.00 0.00 27.48 28.98 3ith h GLN 373 CO -0.04 0.87 0.62 0.87 -0.67 0.00 0.00 178.83 180.47 3ith h LYS 374 N -0.59 0.65 0.00 1.46 1.79 0.34 -0.68 116.57 119.55 3ith h LYS 374 Ca -0.02 -0.04 -0.24 0.00 -2.18 0.00 0.00 60.65 58.17 3ith h LYS 374 Cb 0.92 -0.15 0.02 0.00 -1.58 0.00 0.00 32.23 31.45 3ith h LYS 374 CO 0.03 0.43 -0.95 0.82 -1.08 0.00 0.00 179.45 178.71 3ith h ILE 375 N 0.67 1.31 -0.78 1.86 2.04 -1.23 -2.62 117.51 118.76 3ith h ILE 375 Ca 0.56 -2.21 -0.03 0.00 1.00 0.00 0.00 64.86 64.18 3ith h ILE 375 Cb 0.99 2.44 -0.04 0.00 -0.74 0.00 0.00 36.82 39.47 3ith h ILE 375 CO -0.33 0.68 0.37 0.74 0.00 0.00 0.00 178.15 179.61 3ith h THR 376 N 0.28 1.25 -0.24 -0.27 2.02 -1.27 -0.12 112.91 114.56 3ith h THR 376 Ca -0.12 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.36 3ith h THR 376 Cb 1.61 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 3ith h THR 376 CO 0.19 0.30 0.16 0.74 0.37 0.00 0.00 175.52 177.27 3ith h THR 377 N 1.11 1.06 -0.46 3.16 2.02 -1.16 -0.43 112.91 118.22 3ith h THR 377 Ca 0.27 -0.12 0.07 0.00 0.77 0.00 0.00 66.41 67.40 3ith h THR 377 Cb 0.12 0.72 -0.06 0.00 -1.74 0.00 0.00 68.15 67.19 3ith h THR 377 CO -0.03 0.06 0.11 -0.33 0.37 0.00 0.00 175.52 175.69 3ith h GLU 378 N 0.32 0.24 -0.84 6.66 5.08 -1.07 -1.77 114.58 123.21 3ith h GLU 378 Ca 0.09 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3ith h GLU 378 Cb -0.03 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 3ith h GLU 378 CO -0.02 0.16 0.49 0.77 -1.00 0.00 0.00 179.01 179.41 3ith h SER 379 N 0.25 1.03 -0.46 1.42 0.02 -0.65 0.10 113.55 115.26 3ith h SER 379 Ca 0.22 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 3ith h SER 379 Cb 0.27 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 3ith h SER 379 CO -0.28 0.81 0.26 0.40 -1.14 0.00 0.00 176.83 176.88 3ith h ILE 380 N 1.16 1.16 -0.46 3.27 2.04 -0.49 0.23 117.51 124.41 3ith h ILE 380 Ca 0.30 -0.38 -0.10 0.00 1.00 0.00 0.00 64.86 65.68 3ith h ILE 380 Cb -0.02 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 3ith h ILE 380 CO -0.05 0.16 -0.11 0.58 0.00 0.00 0.00 178.15 178.72 3ith h VAL 381 N 0.60 1.26 0.22 1.67 2.07 -0.99 -1.14 116.25 119.94 3ith h VAL 381 Ca 0.16 -1.21 -0.34 0.00 0.82 0.00 0.00 66.70 66.14 3ith h VAL 381 Cb 0.03 1.03 0.03 0.00 -1.52 0.00 0.00 31.29 30.85 3ith h VAL 381 CO -0.03 0.42 -1.55 0.40 0.02 0.00 0.00 177.57 176.83 3ith h ILE 382 N 0.77 1.20 0.00 4.57 2.04 -0.35 -3.40 117.51 122.33 3ith h ILE 382 Ca 0.13 -2.68 0.00 0.00 1.00 0.00 0.00 64.86 63.30 3ith h ILE 382 Cb 0.62 2.95 0.00 0.00 -0.74 0.00 0.00 36.82 39.65 3ith h ILE 382 CO 0.04 0.83 0.00 0.79 0.00 0.00 0.00 178.15 179.81 3ith n TRP 383 N -3.66 0.00 -3.57 1.37 8.01 0.76 -5.00 117.44 115.36 3ith n TRP 383 Ca -0.18 -0.03 -0.25 0.00 -1.31 0.00 0.00 57.50 55.72 3ith n TRP 383 Cb 1.09 -0.00 0.05 0.00 -2.01 0.00 0.00 31.31 30.44 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 -0.03 -0.53 3.26 6.99 0.00 -0.43 -4.93 105.19 109.52 3ith n GLY 384 Ca 0.00 0.21 -0.12 0.00 0.00 0.00 0.00 46.02 46.11 3ith n GLY 384 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ith s LYS 385 N -6.27 0.83 0.09 1.61 1.02 -1.25 -4.90 119.74 110.85 3ith s LYS 385 Ca 0.55 -0.51 -0.09 0.00 0.02 0.00 0.00 55.97 55.94 3ith s LYS 385 Cb -0.25 0.36 -0.06 0.00 -0.52 0.00 0.00 37.83 37.36 3ith s LYS 385 CO 0.68 -0.27 0.40 0.95 -0.92 0.00 0.00 175.35 176.19 3ith s THR 386 N -2.61 5.11 0.58 2.17 -4.23 -1.26 -3.48 115.64 111.92 3ith s THR 386 Ca -0.05 0.40 -0.15 0.00 -1.18 0.00 0.00 61.69 60.71 3ith s THR 386 Cb -0.01 -3.64 -0.05 0.00 1.34 0.00 0.00 72.50 70.15 3ith s THR 386 CO -0.04 0.26 1.03 -2.84 -0.54 0.00 0.00 174.62 172.49 3ith s PRO 387 N -2.00 3.50 -0.39 3.99 0.02 -1.26 -4.55 135.00 134.31 3ith s PRO 387 Ca 0.34 1.07 -0.21 0.00 0.02 0.00 0.00 61.00 62.22 3ith s PRO 387 Cb -0.14 -2.07 0.01 0.00 0.02 0.00 0.00 34.50 32.33 3ith s PRO 387 CO 0.19 -0.65 0.67 0.21 -0.33 0.00 0.00 177.00 177.09 3ith s LYS 388 N -4.25 3.55 0.19 5.54 2.47 -0.71 -4.08 119.74 122.45 3ith s LYS 388 Ca 0.61 -0.06 -0.18 0.00 -1.56 0.00 0.00 55.97 54.78 3ith s LYS 388 Cb -0.13 -3.86 -0.08 0.00 -1.46 0.00 0.00 37.83 32.30 3ith s LYS 388 CO 0.38 -0.86 0.67 -0.06 0.16 0.00 0.00 175.35 175.64 3ith s PHE 389 N 2.84 3.65 -0.65 4.03 0.40 0.70 -2.67 117.98 126.28 3ith s PHE 389 Ca 0.25 1.30 -0.08 0.00 -0.60 0.00 0.00 56.93 57.80 3ith s PHE 389 Cb -0.14 -2.55 0.17 0.00 0.51 0.00 0.00 43.02 41.01 3ith s PHE 389 CO 0.17 0.38 0.52 0.15 0.70 0.00 0.00 175.22 177.13 3ith s LYS 390 N -1.92 2.87 0.11 0.44 1.02 -0.34 -1.17 119.74 120.75 3ith s LYS 390 Ca 0.41 -2.32 -0.29 0.00 0.02 0.00 0.00 55.97 53.78 3ith s LYS 390 Cb -0.16 -4.00 -0.06 0.00 -0.52 0.00 0.00 37.83 33.09 3ith s LYS 390 CO 0.20 -1.22 0.94 -0.51 -0.92 0.00 0.00 175.35 173.85 3ith s LEU 391 N 0.36 4.50 -1.27 3.17 1.43 -0.83 -3.74 118.68 122.30 3ith s LEU 391 Ca 0.14 1.76 -0.17 0.00 -1.03 0.00 0.00 54.13 54.84 3ith s LEU 391 Cb -0.19 -3.55 0.10 0.00 0.03 0.00 0.00 46.19 42.58 3ith s LEU 391 CO -0.04 -0.05 1.65 -2.16 0.23 0.00 0.00 176.35 175.98 3ith s PRO 392 N -0.06 4.01 -0.05 1.29 0.04 -1.26 -1.26 135.00 137.71 3ith s PRO 392 Ca 0.46 -2.13 -0.31 0.00 0.04 0.00 0.00 61.00 59.06 3ith s PRO 392 Cb -0.23 -5.41 0.11 0.00 0.04 0.00 0.00 34.50 29.01 3ith s PRO 392 CO 0.29 -2.13 1.11 -1.50 0.04 0.00 0.00 177.00 174.81 3ith s ILE 393 N 3.54 0.00 -0.03 0.56 2.07 -1.26 -4.98 121.20 121.10 3ith s ILE 393 Ca 0.51 -0.16 -0.18 0.00 -1.41 0.00 0.00 60.65 59.41 3ith s ILE 393 Cb 0.02 -1.39 -0.05 0.00 0.13 0.00 0.00 42.46 41.17 3ith s ILE 393 CO 0.05 0.00 0.51 -1.10 -1.91 0.00 0.00 174.94 172.49 3ith s GLN 394 N -2.74 4.22 0.26 3.50 -0.21 -1.26 -4.32 119.66 119.12 3ith s GLN 394 Ca 0.10 0.56 -0.06 0.00 0.02 0.00 0.00 55.36 55.98 3ith s GLN 394 Cb 0.00 -3.34 0.47 0.00 1.00 0.00 0.00 33.01 31.15 3ith s GLN 394 CO -0.04 0.40 1.45 1.17 -2.12 0.00 0.00 175.29 176.14 3ith n LYS 395 N 2.73 -0.08 -0.05 2.91 4.81 -1.26 -0.34 118.16 126.88 3ith n LYS 395 Ca -0.09 1.44 -0.09 0.00 -0.87 0.00 0.00 58.31 58.69 3ith n LYS 395 Cb 0.51 -2.17 0.06 0.00 0.02 0.00 0.00 35.03 33.45 3ith n LYS 395 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3ith h GLU 396 N 0.00 0.70 0.43 1.64 3.07 -1.98 0.87 114.58 119.31 3ith h GLU 396 Ca 0.46 -0.36 -0.02 0.00 -0.50 0.00 0.00 59.36 58.94 3ith h GLU 396 Cb 0.76 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.68 3ith h GLU 396 CO -0.94 0.98 -0.21 1.15 -1.40 0.00 0.00 179.01 178.59 3ith h THR 397 N 0.57 0.00 -0.96 1.13 2.02 -1.09 -2.56 112.91 112.02 3ith h THR 397 Ca 0.05 -0.08 0.27 0.00 0.77 0.00 0.00 66.41 67.41 3ith h THR 397 Cb 0.94 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.22 3ith h THR 397 CO 0.09 0.00 0.49 -0.25 0.37 0.00 0.00 175.52 176.21 3ith h TRP 398 N -0.66 0.80 0.00 3.16 2.91 -1.26 -1.67 115.95 119.23 3ith h TRP 398 Ca -0.06 0.04 -0.06 0.00 1.13 0.00 0.00 58.89 59.94 3ith h TRP 398 Cb 0.44 -0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 28.88 3ith h TRP 398 CO 0.10 -0.11 -0.29 0.93 -1.03 0.00 0.00 178.44 178.04 3ith h GLU 399 N 0.37 0.00 0.00 2.65 5.08 -0.76 -0.60 114.58 121.33 3ith h GLU 399 Ca 0.65 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.01 3ith h GLU 399 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 3ith h GLU 399 CO -0.57 0.29 -0.36 0.25 -1.00 0.00 0.00 179.01 177.61 3ith n THR 400 N -3.37 0.34 0.00 1.13 -2.24 -0.64 -4.60 114.28 104.91 3ith n THR 400 Ca 0.01 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3ith n THR 400 Cb 0.50 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 3ith n THR 400 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 3ith n TRP 401 N -2.01 0.00 -0.29 4.78 5.03 -1.05 -4.86 117.44 119.04 3ith n TRP 401 Ca 0.05 0.00 0.07 0.00 3.03 0.00 0.00 57.50 60.65 3ith n TRP 401 Cb 0.41 0.00 0.22 0.00 -1.03 0.00 0.00 31.31 30.91 3ith n TRP 401 CO 0.00 0.00 0.00 0.11 -0.03 0.00 0.00 177.69 177.77 3ith h TRP 402 N 0.00 0.74 0.00 -5.99 5.08 -1.36 -2.39 115.95 112.03 3ith h TRP 402 Ca 0.00 0.03 -0.01 0.00 1.08 0.00 0.00 58.89 60.00 3ith h TRP 402 Cb 0.56 -0.20 -0.00 0.00 -3.00 0.00 0.00 29.16 26.51 3ith h TRP 402 CO 0.00 0.17 -0.03 1.79 -1.28 0.00 0.00 178.44 179.09 3ith h THR 403 N 0.60 0.18 0.00 0.12 1.35 -1.89 -1.56 112.91 111.72 3ith h THR 403 Ca 0.46 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 66.07 3ith h THR 403 Cb 0.65 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 3ith h THR 403 CO -0.37 0.03 0.00 -0.62 -0.25 0.00 0.00 175.52 174.31 3ith n GLU 404 N -3.28 0.31 0.00 4.72 -0.58 -0.90 -3.18 120.64 117.73 3ith n GLU 404 Ca -0.02 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 3ith n GLU 404 Cb 0.17 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 3ith n GLU 404 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3ith n TYR 405 N -1.16 0.00 -2.87 -0.32 4.02 -0.60 -5.07 117.16 111.16 3ith n TYR 405 Ca 0.08 -0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.56 3ith n TYR 405 Cb 0.08 -0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.36 3ith n TYR 405 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 176.86 175.39 3ith s TRP 406 N -0.01 3.61 0.00 -0.72 -0.11 -1.14 -4.81 118.94 115.77 3ith s TRP 406 Ca 0.00 1.47 0.00 0.00 1.22 0.00 0.00 56.10 58.79 3ith s TRP 406 Cb 0.00 -2.97 0.00 0.00 -1.50 0.00 0.00 33.47 29.00 3ith s TRP 406 CO 0.00 0.02 0.54 1.04 -4.62 0.00 0.00 176.95 173.93 3ith n GLN 407 N 3.92 0.67 -4.17 5.86 6.02 -1.26 -4.34 117.38 124.08 3ith n GLN 407 Ca 0.03 -0.67 -0.22 0.00 -0.01 0.00 0.00 57.00 56.13 3ith n GLN 407 Cb 0.51 -0.69 -0.06 0.00 1.02 0.00 0.00 30.24 31.03 3ith n GLN 407 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ith s ALA 408 N -0.26 3.41 -1.98 -1.58 0.00 -1.26 -4.52 121.76 115.58 3ith s ALA 408 Ca 0.00 -1.58 0.29 0.00 0.00 0.00 0.00 51.96 50.67 3ith s ALA 408 Cb 0.00 -1.01 1.19 0.00 0.00 0.00 0.00 23.12 23.30 3ith s ALA 408 CO 0.00 0.22 1.83 0.25 0.00 0.00 0.00 175.76 178.06 3ith n THR 409 N -1.07 0.00 -4.50 0.00 -2.24 -1.26 -4.87 114.28 100.35 3ith n THR 409 Ca -0.06 -0.12 -0.30 0.00 -2.27 0.00 0.00 64.05 61.30 3ith n THR 409 Cb 0.59 0.12 -0.07 0.00 -2.10 0.00 0.00 70.33 68.86 3ith n THR 409 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 3ith s TRP 410 N -2.26 2.05 -0.04 4.78 1.48 -1.26 -4.76 118.94 118.92 3ith s TRP 410 Ca 0.34 -0.83 -0.02 0.00 -1.06 0.00 0.00 56.10 54.52 3ith s TRP 410 Cb 0.20 -1.74 0.03 0.00 -1.16 0.00 0.00 33.47 30.80 3ith s TRP 410 CO 0.42 0.14 0.06 0.42 -4.06 0.00 0.00 176.95 173.94 3ith s ILE 411 N -2.79 -0.11 0.93 0.66 1.01 -1.26 -5.04 121.20 114.60 3ith s ILE 411 Ca 0.21 0.42 -0.13 0.00 0.00 0.00 0.00 60.65 61.15 3ith s ILE 411 Cb 0.03 -0.15 0.15 0.00 0.01 0.00 0.00 42.46 42.50 3ith s ILE 411 CO 0.11 0.18 1.15 -2.16 0.00 0.00 0.00 174.94 174.22 3ith s PRO 412 N 2.13 1.01 0.31 2.79 0.04 -1.26 -4.93 135.00 135.08 3ith s PRO 412 Ca 0.05 0.21 -0.04 0.00 0.04 0.00 0.00 61.00 61.26 3ith s PRO 412 Cb -0.12 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.54 3ith s PRO 412 CO -0.03 -2.27 0.56 -2.00 0.04 0.00 0.00 177.00 173.30 3ith s GLU 413 N -5.35 3.59 -0.16 4.56 2.56 -1.26 -4.97 118.70 117.68 3ith s GLU 413 Ca 0.65 -0.07 -0.28 0.00 0.00 0.00 0.00 54.97 55.27 3ith s GLU 413 Cb -0.13 -2.65 0.08 0.00 2.00 0.00 0.00 34.13 33.43 3ith s GLU 413 CO 0.53 0.19 0.73 1.67 -0.56 0.00 0.00 175.26 177.82 3ith s TRP 414 N -2.15 -0.69 0.50 5.30 -2.14 -1.26 -0.21 118.94 118.29 3ith s TRP 414 Ca 0.43 1.44 0.02 0.00 2.66 0.00 0.00 56.10 60.66 3ith s TRP 414 Cb -0.10 0.35 -0.01 0.00 -3.10 0.00 0.00 33.47 30.60 3ith s TRP 414 CO 0.32 -0.48 0.05 -1.83 -2.66 0.00 0.00 176.95 172.35 3ith s GLU 415 N -0.45 2.18 -0.11 3.25 -1.05 -0.32 -4.94 118.70 117.25 3ith s GLU 415 Ca -0.05 -2.32 0.03 0.00 -0.15 0.00 0.00 54.97 52.48 3ith s GLU 415 Cb -0.02 -1.62 -0.00 0.00 -0.44 0.00 0.00 34.13 32.05 3ith s GLU 415 CO 0.05 -0.35 -0.21 -0.06 0.95 0.00 0.00 175.26 175.63 3ith s PHE 416 N -2.84 2.63 0.53 4.83 0.08 -1.26 -1.96 117.98 119.99 3ith s PHE 416 Ca 0.12 -0.98 0.05 0.00 0.12 0.00 0.00 56.93 56.24 3ith s PHE 416 Cb 0.02 -1.75 0.03 0.00 -0.57 0.00 0.00 43.02 40.74 3ith s PHE 416 CO 0.07 -0.39 0.32 0.14 -0.10 0.00 0.00 175.22 175.26 3ith s VAL 417 N 0.39 1.58 -0.38 -0.44 -7.23 -0.39 -4.94 120.40 109.01 3ith s VAL 417 Ca -0.16 -1.59 0.03 0.00 -1.81 0.00 0.00 61.98 58.45 3ith s VAL 417 Cb -0.17 -2.17 0.11 0.00 0.56 0.00 0.00 36.38 34.70 3ith s VAL 417 CO 0.07 0.00 0.10 0.20 -0.31 0.00 0.00 175.10 175.16 3ith s ASN 418 N -4.19 4.58 0.30 4.85 0.01 -1.26 -4.46 114.94 114.75 3ith s ASN 418 Ca 0.29 -2.30 -0.29 0.00 -0.71 0.00 0.00 52.86 49.85 3ith s ASN 418 Cb -0.01 -1.54 -0.10 0.00 0.41 0.00 0.00 41.25 40.00 3ith s ASN 418 CO 0.18 -0.35 1.32 -0.89 -1.51 0.00 0.00 177.10 175.85 3ith s THR 419 N 0.71 2.81 0.00 1.60 2.01 -1.26 -5.06 115.64 116.45 3ith s THR 419 Ca 0.12 0.77 0.00 0.00 0.31 0.00 0.00 61.69 62.89 3ith s THR 419 Cb -0.20 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 68.82 3ith s THR 419 CO -0.08 0.16 0.00 -2.65 -0.69 0.00 0.00 174.62 171.37 3ith n PRO 420 N 1.30 2.79 -1.12 4.92 -0.02 -1.26 -4.97 135.00 136.64 3ith n PRO 420 Ca 0.02 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.28 3ith n PRO 420 Cb 0.42 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 33.92 3ith n PRO 420 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3ith n PRO 421 N 0.00 2.09 0.00 0.52 -0.04 -1.26 -4.00 135.00 132.30 3ith n PRO 421 Ca 0.00 -2.02 0.11 0.00 -0.04 0.00 0.00 63.50 61.55 3ith n PRO 421 Cb 0.00 -1.85 0.02 0.00 -0.04 0.00 0.00 33.50 31.63 3ith n PRO 421 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 3ith n LEU 422 N 0.32 1.36 0.00 1.53 -0.00 -1.26 -3.50 117.00 115.45 3ith n LEU 422 Ca 0.39 -0.52 -0.11 0.00 -0.00 0.00 0.00 56.01 55.77 3ith n LEU 422 Cb 0.57 -0.04 -0.05 0.00 -0.00 0.00 0.00 43.42 43.90 3ith n LEU 422 CO 0.42 0.28 0.87 0.58 -0.00 0.00 0.00 177.39 179.54 3ith h VAL 423 N 1.09 0.95 0.00 1.47 2.07 -1.95 -2.48 116.25 117.40 3ith h VAL 423 Ca 0.00 -0.01 -0.08 0.00 0.82 0.00 0.00 66.70 67.42 3ith h VAL 423 Cb 0.60 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3ith h VAL 423 CO 0.00 0.01 -0.39 0.50 0.02 0.00 0.00 177.57 177.71 3ith h LYS 424 N 0.04 0.00 0.00 1.57 1.63 -1.79 -2.88 116.57 115.15 3ith h LYS 424 Ca 0.04 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 3ith h LYS 424 Cb 0.04 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.67 3ith h LYS 424 CO -0.06 0.39 0.00 -0.07 -3.45 0.00 0.00 179.45 176.25 3ith h LEU 425 N 0.00 0.00 -1.07 5.20 4.07 -1.51 -3.03 115.31 118.97 3ith h LEU 425 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3ith h LEU 425 Cb 0.89 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.63 3ith h LEU 425 CO 0.05 0.00 -0.09 0.79 -1.08 0.00 0.00 178.44 178.11 3ith n TRP 426 N -2.44 0.00 0.00 1.13 7.02 -0.97 -5.00 117.44 117.19 3ith n TRP 426 Ca 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.49 3ith n TRP 426 Cb 0.23 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.12 3ith n TRP 426 CO 0.00 0.00 0.00 0.98 -2.02 0.00 0.00 177.69 176.65