#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t03 n ILE 2 N 0.00 0.00 -3.65 0.52 -6.64 -1.26 -4.58 119.36 103.75 1t03 n ILE 2 Ca 0.00 0.00 -0.14 0.00 -1.77 0.00 0.00 62.75 60.84 1t03 n ILE 2 Cb 0.00 0.00 -0.08 0.00 -1.44 0.00 0.00 39.64 38.12 1t03 n ILE 2 CO 0.00 0.00 0.00 -0.55 -1.77 0.00 0.00 176.55 174.23 1t03 s SER 3 N -2.12 -0.61 0.21 7.28 0.15 -1.26 -4.91 113.70 112.44 1t03 s SER 3 Ca 0.00 1.05 -0.04 0.00 0.70 0.00 0.00 55.95 57.67 1t03 s SER 3 Cb 0.00 1.05 0.17 0.00 -1.71 0.00 0.00 66.02 65.53 1t03 s SER 3 CO 0.00 -0.30 1.59 -0.65 1.20 0.00 0.00 173.24 175.08 1t03 h PRO 4 N 4.69 0.68 -3.49 5.44 0.11 -1.96 -3.45 132.00 134.03 1t03 h PRO 4 Ca -0.28 -0.32 -0.38 0.00 0.11 0.00 0.00 66.00 65.12 1t03 h PRO 4 Cb 1.16 -0.01 0.07 0.00 0.11 0.00 0.00 31.00 32.34 1t03 h PRO 4 CO 0.19 0.93 -0.37 -0.89 -0.21 0.00 0.00 178.00 177.65 1t03 n ILE 5 N -4.06 0.96 -2.54 4.15 5.41 -1.26 -4.85 119.36 117.17 1t03 n ILE 5 Ca -0.01 -0.29 -0.42 0.00 1.00 0.00 0.00 62.75 63.02 1t03 n ILE 5 Cb 0.49 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.40 1t03 n ILE 5 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1t03 s GLU 6 N -0.58 4.38 0.13 0.38 2.56 -1.26 -4.79 118.70 119.52 1t03 s GLU 6 Ca 0.37 1.57 -0.31 0.00 0.00 0.00 0.00 54.97 56.59 1t03 s GLU 6 Cb -0.50 -3.54 -0.09 0.00 2.00 0.00 0.00 34.13 32.00 1t03 s GLU 6 CO 0.34 -0.39 1.51 -0.08 -0.56 0.00 0.00 175.26 176.07 1t03 s THR 7 N 2.09 2.95 -0.00 -1.70 -1.32 -1.26 -5.01 115.64 111.39 1t03 s THR 7 Ca 0.53 0.65 -0.20 0.00 -1.21 0.00 0.00 61.69 61.46 1t03 s THR 7 Cb -0.22 -3.42 -0.05 0.00 -1.51 0.00 0.00 72.50 67.30 1t03 s THR 7 CO 0.21 0.04 0.59 0.54 -2.21 0.00 0.00 174.62 173.79 1t03 s VAL 8 N 1.33 4.90 0.25 5.08 0.11 -1.26 -4.92 120.40 125.89 1t03 s VAL 8 Ca 0.68 1.25 -0.30 0.00 -2.93 0.00 0.00 61.98 60.68 1t03 s VAL 8 Cb -0.40 -3.93 -0.09 0.00 -1.53 0.00 0.00 36.38 30.42 1t03 s VAL 8 CO 0.31 0.42 1.22 -2.84 -3.33 0.00 0.00 175.10 170.88 1t03 s PRO 9 N -0.24 4.48 -0.07 1.54 0.02 -1.26 -4.20 135.00 135.28 1t03 s PRO 9 Ca 0.31 1.98 0.01 0.00 0.02 0.00 0.00 61.00 63.31 1t03 s PRO 9 Cb -0.18 -3.17 0.02 0.00 0.02 0.00 0.00 34.50 31.19 1t03 s PRO 9 CO 0.17 -0.05 -0.06 0.08 -0.33 0.00 0.00 177.00 176.81 1t03 s VAL 10 N -0.64 0.77 -0.21 3.83 1.01 -1.26 -5.10 120.40 118.81 1t03 s VAL 10 Ca 0.50 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 62.27 1t03 s VAL 10 Cb -0.35 -0.79 0.06 0.00 0.00 0.00 0.00 36.38 35.29 1t03 s VAL 10 CO 0.42 0.30 -0.03 -1.59 0.00 0.00 0.00 175.10 174.20 1t03 s LYS 11 N 1.26 1.32 0.83 2.72 -2.85 -1.26 -4.66 119.74 117.11 1t03 s LYS 11 Ca -0.05 -0.73 -0.15 0.00 -1.00 0.00 0.00 55.97 54.04 1t03 s LYS 11 Cb -0.14 -2.33 -0.04 0.00 -2.06 0.00 0.00 37.83 33.26 1t03 s LYS 11 CO -0.02 -0.57 0.19 1.28 0.10 0.00 0.00 175.35 176.33 1t03 n LEU 12 N 4.82 -1.15 -4.55 2.77 4.32 -1.26 -4.81 117.00 117.14 1t03 n LEU 12 Ca -0.11 0.43 -0.49 0.00 -0.02 0.00 0.00 56.01 55.82 1t03 n LEU 12 Cb 0.46 -1.10 -0.04 0.00 -1.62 0.00 0.00 43.42 41.12 1t03 n LEU 12 CO 0.16 -3.96 0.60 0.29 -1.22 0.00 0.00 177.39 173.25 1t03 n LYS 13 N -0.27 0.96 -1.67 3.23 4.76 0.24 -4.84 118.16 120.58 1t03 n LYS 13 Ca 0.07 0.34 -0.40 0.00 -2.87 0.00 0.00 58.31 55.44 1t03 n LYS 13 Cb 0.52 -1.76 0.02 0.00 -1.84 0.00 0.00 35.03 31.97 1t03 n LYS 13 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1t03 n PRO 14 N 1.49 1.61 -1.88 1.97 -0.04 -1.26 -2.81 135.00 134.09 1t03 n PRO 14 Ca 0.15 0.58 -0.12 0.00 -0.04 0.00 0.00 63.50 64.07 1t03 n PRO 14 Cb 0.24 -2.28 -0.02 0.00 -0.04 0.00 0.00 33.50 31.40 1t03 n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1t03 n GLY 15 N 0.97 0.44 2.79 0.55 0.00 -1.26 -5.01 105.19 103.68 1t03 n GLY 15 Ca 0.09 -0.42 -0.15 0.00 0.00 0.00 0.00 46.02 45.54 1t03 n GLY 15 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1t03 s MET 16 N -3.96 -0.03 0.64 1.61 -1.94 -1.12 -5.16 119.30 109.33 1t03 s MET 16 Ca 0.00 0.17 0.01 0.00 -1.71 0.00 0.00 55.69 54.16 1t03 s MET 16 Cb 0.00 -0.21 0.08 0.00 2.01 0.00 0.00 34.83 36.71 1t03 s MET 16 CO 0.00 -0.15 0.89 0.34 -0.01 0.00 0.00 175.02 176.09 1t03 s ASP 17 N 0.94 4.81 1.26 3.03 2.15 -1.26 -4.75 116.67 122.85 1t03 s ASP 17 Ca -0.08 -0.22 -0.17 0.00 0.43 0.00 0.00 52.55 52.51 1t03 s ASP 17 Cb -0.11 -0.40 0.31 0.00 -0.30 0.00 0.00 42.92 42.42 1t03 s ASP 17 CO -0.03 -1.51 1.00 -0.83 -0.17 0.00 0.00 175.17 173.63 1t03 s GLY 18 N -4.59 1.49 0.26 2.66 0.00 -1.26 -4.94 107.32 100.94 1t03 s GLY 18 Ca 0.62 -0.49 -0.30 0.00 0.00 0.00 0.00 44.72 44.55 1t03 s GLY 18 CO 0.41 0.35 1.27 2.56 0.00 0.00 0.00 173.10 177.70 1t03 s PRO 19 N -4.80 4.42 -0.38 2.90 0.04 -1.26 -4.96 135.00 130.96 1t03 s PRO 19 Ca 0.68 2.06 0.12 0.00 0.04 0.00 0.00 61.00 63.91 1t03 s PRO 19 Cb -0.19 -3.15 0.42 0.00 0.04 0.00 0.00 34.50 31.62 1t03 s PRO 19 CO 0.61 -0.15 0.95 1.63 0.04 0.00 0.00 177.00 180.09 1t03 n LYS 20 N 1.77 1.90 -3.25 4.56 5.02 -1.25 -0.77 118.16 126.13 1t03 n LYS 20 Ca 0.03 -3.75 -0.35 0.00 -2.02 0.00 0.00 58.31 52.21 1t03 n LYS 20 Cb 0.43 -1.68 -0.06 0.00 -0.02 0.00 0.00 35.03 33.70 1t03 n LYS 20 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1t03 s VAL 21 N -3.75 4.75 0.48 -0.18 1.01 -1.23 -4.88 120.40 116.60 1t03 s VAL 21 Ca 0.37 0.97 -0.11 0.00 0.00 0.00 0.00 61.98 63.21 1t03 s VAL 21 Cb 0.41 -3.76 -0.06 0.00 0.00 0.00 0.00 36.38 32.98 1t03 s VAL 21 CO -0.06 0.17 0.86 -0.75 0.00 0.00 0.00 175.10 175.32 1t03 s LYS 22 N -2.12 3.72 -0.36 2.72 2.20 -1.26 -3.87 119.74 120.77 1t03 s LYS 22 Ca 0.42 0.55 -0.19 0.00 -0.36 0.00 0.00 55.97 56.39 1t03 s LYS 22 Cb -0.15 -2.28 0.00 0.00 -1.51 0.00 0.00 37.83 33.89 1t03 s LYS 22 CO 0.20 -0.22 0.56 -1.14 -0.36 0.00 0.00 175.35 174.39 1t03 s GLN 23 N -4.34 3.61 0.56 4.03 2.00 -1.26 -4.54 119.66 119.72 1t03 s GLN 23 Ca 0.52 -0.11 -0.18 0.00 -2.00 0.00 0.00 55.36 53.60 1t03 s GLN 23 Cb -0.10 -3.82 -0.05 0.00 0.80 0.00 0.00 33.01 29.84 1t03 s GLN 23 CO 0.39 -0.70 1.07 1.67 -0.50 0.00 0.00 175.29 177.21 1t03 s TRP 24 N 2.52 2.91 0.40 1.67 -2.14 -1.26 -4.96 118.94 118.08 1t03 s TRP 24 Ca 0.21 1.54 -0.24 0.00 2.66 0.00 0.00 56.10 60.27 1t03 s TRP 24 Cb -0.15 -3.08 -0.12 0.00 -3.10 0.00 0.00 33.47 27.02 1t03 s TRP 24 CO 0.14 -1.15 0.83 -2.30 -2.66 0.00 0.00 176.95 171.82 1t03 n PRO 25 N -1.61 1.02 -4.39 3.25 -0.02 -1.26 -4.93 135.00 127.05 1t03 n PRO 25 Ca 0.09 0.37 -0.19 0.00 -2.02 0.00 0.00 63.50 61.75 1t03 n PRO 25 Cb 0.52 -1.80 -0.14 0.00 -0.02 0.00 0.00 33.50 32.06 1t03 n PRO 25 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1t03 s LEU 26 N 0.44 2.08 0.20 2.45 1.43 -1.26 -5.13 118.68 118.90 1t03 s LEU 26 Ca 0.63 -0.30 -0.25 0.00 -1.03 0.00 0.00 54.13 53.18 1t03 s LEU 26 Cb -0.60 -0.53 -0.08 0.00 0.03 0.00 0.00 46.19 45.00 1t03 s LEU 26 CO 0.57 0.08 0.81 0.28 0.23 0.00 0.00 176.35 178.32 1t03 s THR 27 N -0.51 4.33 0.01 5.49 -1.32 -1.26 -4.84 115.64 117.54 1t03 s THR 27 Ca 0.02 1.72 -0.01 0.00 -1.21 0.00 0.00 61.69 62.21 1t03 s THR 27 Cb -0.06 -4.12 -0.00 0.00 -1.51 0.00 0.00 72.50 66.82 1t03 s THR 27 CO 0.00 0.43 0.62 1.21 -2.21 0.00 0.00 174.62 174.67 1t03 n GLU 28 N 1.33 -0.02 -0.17 7.08 2.13 -1.26 0.89 120.64 130.63 1t03 n GLU 28 Ca -0.04 0.62 0.09 0.00 0.66 0.00 0.00 57.16 58.49 1t03 n GLU 28 Cb 0.49 -0.93 0.18 0.00 0.27 0.00 0.00 31.44 31.45 1t03 n GLU 28 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1t03 n GLU 29 N -2.73 -0.04 0.10 5.31 2.13 -1.26 0.24 120.64 124.39 1t03 n GLU 29 Ca 0.00 0.76 -0.14 0.00 0.66 0.00 0.00 57.16 58.43 1t03 n GLU 29 Cb 0.01 -1.23 -0.13 0.00 0.27 0.00 0.00 31.44 30.36 1t03 n GLU 29 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1t03 h LYS 30 N 0.00 0.24 0.34 5.31 1.57 0.15 -2.96 116.57 121.22 1t03 h LYS 30 Ca 0.33 -0.39 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1t03 h LYS 30 Cb 0.73 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.19 1t03 h LYS 30 CO -0.47 1.18 -0.16 0.82 -0.57 0.00 0.00 179.45 180.25 1t03 h ILE 31 N 0.07 0.00 -0.78 1.86 2.04 0.41 0.60 117.51 121.72 1t03 h ILE 31 Ca -0.11 -0.16 0.12 0.00 1.00 0.00 0.00 64.86 65.71 1t03 h ILE 31 Cb 1.91 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.86 1t03 h ILE 31 CO 0.19 0.00 -0.30 1.17 0.00 0.00 0.00 178.15 179.21 1t03 n LYS 32 N -3.66 -0.18 0.27 2.37 4.81 0.56 0.80 118.16 123.14 1t03 n LYS 32 Ca -0.06 1.20 -0.16 0.00 -0.87 0.00 0.00 58.31 58.42 1t03 n LYS 32 Cb 0.18 -1.78 -0.08 0.00 0.02 0.00 0.00 35.03 33.37 1t03 n LYS 32 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1t03 h ALA 33 N 1.10 -0.65 -0.97 3.14 0.00 -1.43 -2.60 119.26 117.85 1t03 h ALA 33 Ca 0.28 -0.16 0.16 0.00 0.00 0.00 0.00 54.91 55.19 1t03 h ALA 33 Cb 0.47 0.25 -0.10 0.00 0.00 0.00 0.00 17.79 18.42 1t03 h ALA 33 CO -0.77 -0.84 0.58 1.25 0.00 0.00 0.00 179.25 179.47 1t03 h LEU 34 N -0.71 0.78 0.20 0.00 5.85 0.62 -1.45 115.31 120.60 1t03 h LEU 34 Ca -0.07 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1t03 h LEU 34 Cb 0.53 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 1t03 h LEU 34 CO 0.11 0.33 -0.13 0.58 -0.34 0.00 0.00 178.44 178.98 1t03 h VAL 35 N 0.80 0.00 -0.43 1.05 2.07 0.54 -1.41 116.25 118.86 1t03 h VAL 35 Ca 0.53 0.00 0.05 0.00 0.82 0.00 0.00 66.70 68.10 1t03 h VAL 35 Cb 0.73 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.43 1t03 h VAL 35 CO -0.35 0.00 -0.44 -0.08 0.02 0.00 0.00 177.57 176.72 1t03 h GLU 36 N -0.32 -0.23 0.00 1.57 4.81 -1.14 0.46 114.58 119.73 1t03 h GLU 36 Ca -0.03 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1t03 h GLU 36 Cb 0.26 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1t03 h GLU 36 CO 0.02 -0.15 0.16 0.97 -0.73 0.00 0.00 179.01 179.28 1t03 h ILE 37 N -0.24 0.00 0.09 2.32 2.10 -1.31 -1.28 117.51 119.19 1t03 h ILE 37 Ca 0.07 0.00 -0.26 0.00 1.08 0.00 0.00 64.86 65.76 1t03 h ILE 37 Cb 0.43 0.76 -0.01 0.00 -1.09 0.00 0.00 36.82 36.91 1t03 h ILE 37 CO -0.53 0.00 -1.34 0.00 -1.08 0.00 0.00 178.15 175.20 1t03 h THR 39 N -0.45 0.00 0.00 0.00 2.02 0.53 0.21 112.91 115.23 1t03 h THR 39 Ca -0.30 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1t03 h THR 39 Cb 1.65 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1t03 h THR 39 CO 0.01 0.00 0.03 1.21 0.37 0.00 0.00 175.52 177.14 1t03 n GLU 40 N -3.98 0.00 -0.03 6.66 4.07 -0.99 -0.23 120.64 126.15 1t03 n GLU 40 Ca -0.03 0.30 -0.08 0.00 -0.06 0.00 0.00 57.16 57.29 1t03 n GLU 40 Cb 0.18 -1.53 -0.14 0.00 -0.06 0.00 0.00 31.44 29.90 1t03 n GLU 40 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 1t03 n MET 41 N -1.29 0.64 -0.02 5.31 2.81 0.66 -3.68 117.12 121.55 1t03 n MET 41 Ca 0.00 0.27 -0.16 0.00 -1.81 0.00 0.00 57.70 56.00 1t03 n MET 41 Cb 0.03 -1.77 -0.10 0.00 -0.71 0.00 0.00 33.22 30.67 1t03 n MET 41 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 1t03 h GLU 42 N 0.00 0.41 0.00 0.03 4.57 0.29 0.21 114.58 120.09 1t03 h GLU 42 Ca -0.30 -0.37 0.00 0.00 -1.18 0.00 0.00 59.36 57.51 1t03 h GLU 42 Cb 2.01 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 30.69 1t03 h GLU 42 CO 0.07 1.03 0.00 1.63 -1.18 0.00 0.00 179.01 180.56 1t03 n LYS 43 N -4.30 0.00 0.00 1.92 5.02 -0.70 0.96 118.16 121.07 1t03 n LYS 43 Ca -0.09 0.68 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 1t03 n LYS 43 Cb 0.59 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 1t03 n LYS 43 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1t03 n GLU 44 N -2.33 0.00 -3.45 1.97 1.02 -1.24 -4.76 120.64 111.84 1t03 n GLU 44 Ca 0.00 0.04 -0.23 0.00 -0.02 0.00 0.00 57.16 56.95 1t03 n GLU 44 Cb 0.00 -1.51 0.07 0.00 -0.02 0.00 0.00 31.44 29.98 1t03 n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1t03 n GLY 45 N -0.96 -0.50 0.10 0.62 0.00 0.27 -4.83 105.19 99.90 1t03 n GLY 45 Ca 0.00 0.20 -0.02 0.00 0.00 0.00 0.00 46.02 46.21 1t03 n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1t03 h LYS 46 N -2.38 0.00 -5.63 1.61 1.57 -0.79 -3.46 116.57 107.49 1t03 h LYS 46 Ca -0.55 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.68 1t03 h LYS 46 Cb 1.36 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.53 1t03 h LYS 46 CO 0.54 0.56 -0.66 0.42 -0.57 0.00 0.00 179.45 179.75 1t03 s ILE 47 N -2.84 1.83 -0.01 1.86 1.09 -1.09 -1.99 121.20 120.06 1t03 s ILE 47 Ca 0.00 -2.11 -0.01 0.00 -1.10 0.00 0.00 60.65 57.43 1t03 s ILE 47 Cb 0.08 -2.64 -0.00 0.00 -1.06 0.00 0.00 42.46 38.84 1t03 s ILE 47 CO 0.79 -0.18 0.02 -0.44 -0.10 0.00 0.00 174.94 175.03 1t03 s SER 48 N -3.54 0.01 0.68 3.58 0.01 -0.60 -4.48 113.70 109.36 1t03 s SER 48 Ca 0.32 -0.03 -0.13 0.00 1.31 0.00 0.00 55.95 57.41 1t03 s SER 48 Cb 0.05 0.07 0.01 0.00 0.21 0.00 0.00 66.02 66.36 1t03 s SER 48 CO 0.15 -0.07 1.09 -0.54 0.41 0.00 0.00 173.24 174.28 1t03 s LYS 49 N -0.26 2.81 0.14 12.44 1.02 -1.26 -1.33 119.74 133.30 1t03 s LYS 49 Ca -0.03 1.23 -0.17 0.00 0.02 0.00 0.00 55.97 57.02 1t03 s LYS 49 Cb -0.02 -1.96 0.04 0.00 -0.52 0.00 0.00 37.83 35.36 1t03 s LYS 49 CO -0.00 -1.22 0.43 0.96 -0.92 0.00 0.00 175.35 174.60 1t03 s ILE 50 N -2.61 0.06 0.00 2.17 -4.36 -1.13 -4.80 121.20 110.54 1t03 s ILE 50 Ca 0.63 -0.59 0.00 0.00 -0.26 0.00 0.00 60.65 60.43 1t03 s ILE 50 Cb -0.18 -1.24 0.00 0.00 1.25 0.00 0.00 42.46 42.30 1t03 s ILE 50 CO 0.46 -0.26 0.00 0.61 0.24 0.00 0.00 174.94 175.99 1t03 n GLY 51 N -0.25 5.23 0.37 6.27 0.00 -1.26 -4.25 105.19 111.29 1t03 n GLY 51 Ca -0.15 -1.97 0.08 0.00 0.00 0.00 0.00 46.02 43.98 1t03 n GLY 51 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1t03 h PRO 52 N 0.00 0.82 0.00 1.61 0.11 -2.01 -2.85 132.00 129.69 1t03 h PRO 52 Ca 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1t03 h PRO 52 Cb 0.00 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 30.92 1t03 h PRO 52 CO 0.00 0.55 0.66 1.05 -0.21 0.00 0.00 178.00 180.05 1t03 h GLU 53 N 0.85 0.00 -4.70 1.05 9.09 -2.02 -3.34 114.58 115.51 1t03 h GLU 53 Ca 0.42 0.00 -0.71 0.00 0.05 0.00 0.00 59.36 59.12 1t03 h GLU 53 Cb 0.46 0.00 -0.20 0.00 -1.65 0.00 0.00 28.75 27.36 1t03 h GLU 53 CO -0.18 0.00 -0.15 1.21 0.05 0.00 0.00 179.01 179.94 1t03 s ASN 54 N -3.58 6.19 0.00 3.06 3.84 -1.08 -4.95 114.94 118.43 1t03 s ASN 54 Ca -0.01 -1.01 0.20 0.00 0.21 0.00 0.00 52.86 52.24 1t03 s ASN 54 Cb 0.04 -2.24 1.19 0.00 -0.55 0.00 0.00 41.25 39.69 1t03 s ASN 54 CO 0.12 -0.73 1.60 -0.81 -2.79 0.00 0.00 177.10 174.49 1t03 n PRO 55 N 5.69 0.71 -2.96 0.43 -0.04 -1.26 -4.84 135.00 132.74 1t03 n PRO 55 Ca -0.09 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.18 1t03 n PRO 55 Cb 0.45 -1.44 0.05 0.00 -0.04 0.00 0.00 33.50 32.53 1t03 n PRO 55 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1t03 n TYR 56 N -0.94 -2.10 -3.70 0.54 4.02 -1.26 -4.84 117.16 108.87 1t03 n TYR 56 Ca 0.15 -2.00 0.03 0.00 -0.01 0.00 0.00 57.90 56.07 1t03 n TYR 56 Cb 0.07 -0.50 0.00 0.00 -0.02 0.00 0.00 39.34 38.89 1t03 n TYR 56 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1t03 s ASN 57 N -4.30 -0.02 -0.04 7.72 2.47 0.05 -4.83 114.94 115.98 1t03 s ASN 57 Ca 0.53 -0.08 -0.29 0.00 0.42 0.00 0.00 52.86 53.44 1t03 s ASN 57 Cb -0.04 0.08 0.09 0.00 -1.45 0.00 0.00 41.25 39.93 1t03 s ASN 57 CO 0.33 -0.14 0.80 -0.89 -3.72 0.00 0.00 177.10 173.48 1t03 s THR 58 N -2.14 0.00 0.24 -5.21 2.01 -0.96 -3.47 115.64 106.11 1t03 s THR 58 Ca 0.19 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 62.16 1t03 s THR 58 Cb 0.05 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.51 1t03 s THR 58 CO -0.04 0.00 0.47 -2.16 -0.69 0.00 0.00 174.62 172.19 1t03 s PRO 59 N -1.90 3.59 0.10 4.92 0.04 -1.26 -4.00 135.00 136.49 1t03 s PRO 59 Ca -0.04 -0.14 0.02 0.00 0.04 0.00 0.00 61.00 60.88 1t03 s PRO 59 Cb -0.00 -2.74 -0.04 0.00 0.04 0.00 0.00 34.50 31.75 1t03 s PRO 59 CO 0.01 0.32 -0.07 0.14 0.04 0.00 0.00 177.00 177.43 1t03 s VAL 60 N -1.95 0.74 0.17 -0.36 -7.23 -1.26 -0.40 120.40 110.10 1t03 s VAL 60 Ca 0.41 -1.82 -0.24 0.00 -1.81 0.00 0.00 61.98 58.52 1t03 s VAL 60 Cb -0.11 -1.55 0.06 0.00 0.56 0.00 0.00 36.38 35.34 1t03 s VAL 60 CO 0.29 -0.78 0.91 0.72 -0.31 0.00 0.00 175.10 175.93 1t03 s PHE 61 N -3.24 -0.15 0.11 2.82 -0.71 -0.35 -4.87 117.98 111.59 1t03 s PHE 61 Ca 0.09 -0.18 0.04 0.00 -1.04 0.00 0.00 56.93 55.84 1t03 s PHE 61 Cb 0.03 0.65 -0.04 0.00 -1.21 0.00 0.00 43.02 42.45 1t03 s PHE 61 CO -0.03 -0.90 -0.10 0.00 -1.34 0.00 0.00 175.22 172.85 1t03 s ALA 62 N -3.40 1.21 -0.09 1.99 0.00 -1.26 0.36 121.76 120.57 1t03 s ALA 62 Ca 0.12 -1.27 0.01 0.00 0.00 0.00 0.00 51.96 50.82 1t03 s ALA 62 Cb -0.02 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.15 1t03 s ALA 62 CO 0.03 -0.05 -0.08 0.96 0.00 0.00 0.00 175.76 176.62 1t03 s ILE 63 N -2.67 0.95 -0.96 0.00 -4.36 -0.95 -4.92 121.20 108.31 1t03 s ILE 63 Ca 0.08 -0.30 -0.24 0.00 -0.26 0.00 0.00 60.65 59.94 1t03 s ILE 63 Cb -0.01 -0.95 0.01 0.00 1.25 0.00 0.00 42.46 42.76 1t03 s ILE 63 CO 0.00 0.34 1.67 -0.75 0.24 0.00 0.00 174.94 176.44 1t03 s LYS 64 N 1.29 3.11 0.20 0.37 2.20 -1.26 -2.50 119.74 123.14 1t03 s LYS 64 Ca -0.03 -0.71 -0.32 0.00 -0.36 0.00 0.00 55.97 54.55 1t03 s LYS 64 Cb -0.14 -5.19 -0.15 0.00 -1.51 0.00 0.00 37.83 30.85 1t03 s LYS 64 CO -0.03 -2.72 1.24 1.63 -0.36 0.00 0.00 175.35 175.10 1t03 n LYS 65 N 8.89 1.44 0.13 4.03 5.02 -1.21 -4.83 118.16 131.63 1t03 n LYS 65 Ca 0.35 0.51 0.04 0.00 -2.02 0.00 0.00 58.31 57.20 1t03 n LYS 65 Cb 0.49 -2.06 0.03 0.00 -0.02 0.00 0.00 35.03 33.48 1t03 n LYS 65 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1t03 h LYS 66 N 3.61 0.00 -0.83 1.97 1.57 -1.91 0.36 116.57 121.33 1t03 h LYS 66 Ca -0.44 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.49 1t03 h LYS 66 Cb 1.32 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.54 1t03 h LYS 66 CO 0.72 0.34 0.42 0.22 -0.57 0.00 0.00 179.45 180.58 1t03 h ASP 67 N 0.00 0.50 0.00 0.86 -0.00 -1.95 -3.32 116.42 112.51 1t03 h ASP 67 Ca -0.03 0.09 0.00 0.00 -0.00 0.00 0.00 57.03 57.09 1t03 h ASP 67 Cb 1.32 0.02 0.00 0.00 -0.00 0.00 0.00 39.33 40.67 1t03 h ASP 67 CO 0.05 0.21 -0.08 -1.54 -0.00 0.00 0.00 179.24 177.88 1t03 n SER 68 N -4.88 0.02 -1.60 2.28 3.41 -1.23 -2.52 113.62 109.10 1t03 n SER 68 Ca 0.16 -1.17 -0.16 0.00 -0.26 0.00 0.00 58.87 57.44 1t03 n SER 68 Cb 0.42 -0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 64.28 1t03 n SER 68 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1t03 n THR 69 N -0.01 -0.10 -4.75 6.66 -1.04 0.13 -4.81 114.28 110.36 1t03 n THR 69 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.69 1t03 n THR 69 Cb 0.53 -1.63 -0.16 0.00 -1.82 0.00 0.00 70.33 67.25 1t03 n THR 69 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1t03 s LYS 70 N -3.59 3.05 0.72 -2.82 -0.14 -1.23 -4.88 119.74 110.85 1t03 s LYS 70 Ca 0.00 -0.84 -0.16 0.00 -1.36 0.00 0.00 55.97 53.61 1t03 s LYS 70 Cb 0.00 -2.44 0.02 0.00 -1.68 0.00 0.00 37.83 33.74 1t03 s LYS 70 CO 0.00 0.03 1.18 0.91 -0.76 0.00 0.00 175.35 176.70 1t03 n TRP 71 N 3.96 1.38 -3.74 3.18 7.02 -1.26 -3.36 117.44 124.62 1t03 n TRP 71 Ca -0.20 0.41 -0.21 0.00 -1.02 0.00 0.00 57.50 56.48 1t03 n TRP 71 Cb 0.52 -2.17 -0.18 0.00 -2.42 0.00 0.00 31.31 27.07 1t03 n TRP 71 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 1t03 s ARG 72 N -3.59 0.26 0.55 -0.99 6.06 -1.04 -4.90 118.95 115.29 1t03 s ARG 72 Ca 0.77 0.23 -0.20 0.00 -2.50 0.00 0.00 55.73 54.03 1t03 s ARG 72 Cb -0.34 -0.71 -0.05 0.00 0.06 0.00 0.00 34.95 33.91 1t03 s ARG 72 CO 0.46 -0.30 1.20 0.21 -2.50 0.00 0.00 175.30 174.38 1t03 s LYS 73 N 1.96 3.24 -0.05 5.12 2.20 -1.26 -2.23 119.74 128.73 1t03 s LYS 73 Ca 0.03 1.83 -0.02 0.00 -0.36 0.00 0.00 55.97 57.45 1t03 s LYS 73 Cb -0.12 -2.09 0.03 0.00 -1.51 0.00 0.00 37.83 34.14 1t03 s LYS 73 CO -0.04 -0.99 0.03 -0.51 -0.36 0.00 0.00 175.35 173.49 1t03 s LEU 74 N -3.71 0.39 -0.18 5.43 1.43 0.16 -4.91 118.68 117.28 1t03 s LEU 74 Ca 0.73 0.01 -0.06 0.00 -1.03 0.00 0.00 54.13 53.78 1t03 s LEU 74 Cb -0.30 -0.25 -0.03 0.00 0.03 0.00 0.00 46.19 45.64 1t03 s LEU 74 CO 0.34 -0.22 0.02 -0.69 0.23 0.00 0.00 176.35 176.03 1t03 s VAL 75 N 2.00 4.28 -0.54 -1.59 1.01 -1.26 -1.21 120.40 123.09 1t03 s VAL 75 Ca 0.04 -0.21 -0.07 0.00 0.00 0.00 0.00 61.98 61.73 1t03 s VAL 75 Cb -0.12 -2.92 -0.21 0.00 0.00 0.00 0.00 36.38 33.13 1t03 s VAL 75 CO -0.04 0.45 3.40 -0.67 0.00 0.00 0.00 175.10 178.25 1t03 n ASP 76 N 3.82 6.41 -0.97 3.32 2.03 0.46 -4.77 116.55 126.84 1t03 n ASP 76 Ca -0.17 -2.52 0.00 0.00 0.52 0.00 0.00 54.79 52.62 1t03 n ASP 76 Cb 0.52 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.46 1t03 n ASP 76 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1t03 n PHE 77 N 2.82 0.00 -0.13 -0.67 3.72 -1.26 -4.07 117.46 117.88 1t03 n PHE 77 Ca 0.55 -0.01 -0.10 0.00 -0.05 0.00 0.00 57.45 57.84 1t03 n PHE 77 Cb 0.69 -0.10 -0.01 0.00 -0.94 0.00 0.00 39.48 39.12 1t03 n PHE 77 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1t03 h ARG 78 N 1.89 0.60 0.87 -1.08 3.08 -1.88 0.63 114.38 118.49 1t03 h ARG 78 Ca 0.00 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 59.86 1t03 h ARG 78 Cb 0.03 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.01 1t03 h ARG 78 CO 0.00 0.64 -0.42 0.93 -1.07 0.00 0.00 179.97 180.05 1t03 h GLU 79 N 0.46 -1.12 -0.45 0.04 4.39 -2.00 -0.08 114.58 115.82 1t03 h GLU 79 Ca 0.12 0.08 0.09 0.00 0.34 0.00 0.00 59.36 59.99 1t03 h GLU 79 Cb 0.30 0.25 -0.09 0.00 -0.10 0.00 0.00 28.75 29.12 1t03 h GLU 79 CO 0.00 -0.75 -0.12 1.25 -1.16 0.00 0.00 179.01 178.24 1t03 h LEU 80 N -1.25 -0.43 -1.72 1.33 5.85 -1.87 0.56 115.31 117.78 1t03 h LEU 80 Ca -0.12 0.14 0.23 0.00 0.84 0.00 0.00 57.88 58.96 1t03 h LEU 80 Cb 0.89 0.28 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 1t03 h LEU 80 CO 0.20 -0.15 0.61 0.78 -0.34 0.00 0.00 178.44 179.53 1t03 h ASN 81 N -0.00 0.22 0.01 1.25 2.35 0.49 0.62 115.58 120.52 1t03 h ASN 81 Ca 0.22 0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.96 1t03 h ASN 81 Cb 0.33 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1t03 h ASN 81 CO -0.47 0.08 -0.13 0.50 -1.65 0.00 0.00 177.43 175.76 1t03 h LYS 82 N 0.22 0.08 0.00 0.81 3.64 0.18 -3.26 116.57 118.24 1t03 h LYS 82 Ca 0.45 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 1t03 h LYS 82 Cb 1.39 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.24 1t03 h LYS 82 CO -0.11 0.91 0.10 0.00 -2.27 0.00 0.00 179.45 178.08 1t03 h ARG 83 N -0.71 0.00 -4.22 1.90 2.47 0.20 -3.38 114.38 110.64 1t03 h ARG 83 Ca -0.02 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 58.15 1t03 h ARG 83 Cb 0.96 0.00 -0.37 0.00 -1.65 0.00 0.00 29.97 28.90 1t03 h ARG 83 CO 0.03 0.00 -0.80 0.95 0.56 0.00 0.00 179.97 180.71 1t03 s THR 84 N -3.62 1.12 0.00 2.04 -4.23 -0.65 0.83 115.64 111.12 1t03 s THR 84 Ca -0.03 -0.53 0.00 0.00 -1.18 0.00 0.00 61.69 59.95 1t03 s THR 84 Cb 0.07 -1.23 0.00 0.00 1.34 0.00 0.00 72.50 72.68 1t03 s THR 84 CO 0.21 0.22 0.00 1.67 -0.54 0.00 0.00 174.62 176.18 1t03 n GLN 85 N 4.89 0.00 0.14 3.99 7.27 -1.26 -4.75 117.38 127.65 1t03 n GLN 85 Ca -0.12 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 56.93 1t03 n GLN 85 Cb 0.48 -0.04 0.19 0.00 2.41 0.00 0.00 30.24 33.29 1t03 n GLN 85 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 1t03 h ASP 86 N 0.00 0.03 0.00 1.69 3.32 -1.95 -3.13 116.42 116.39 1t03 h ASP 86 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1t03 h ASP 86 Cb 0.20 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1t03 h ASP 86 CO 0.00 0.60 0.00 0.33 -1.72 0.00 0.00 179.24 178.45 1t03 n PHE 87 N -3.86 0.00 0.07 4.55 7.35 -1.26 0.03 117.46 124.34 1t03 n PHE 87 Ca -0.01 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.50 1t03 n PHE 87 Cb 0.58 -0.35 -0.14 0.00 0.35 0.00 0.00 39.48 39.92 1t03 n PHE 87 CO 0.00 0.00 0.00 0.11 -0.76 0.00 0.00 176.76 176.11 1t03 h TRP 88 N 0.00 0.51 0.16 -5.13 5.08 -1.86 -1.68 115.95 113.03 1t03 h TRP 88 Ca 0.00 -0.37 -0.31 0.00 1.08 0.00 0.00 58.89 59.29 1t03 h TRP 88 Cb 0.00 -0.02 0.01 0.00 -3.00 0.00 0.00 29.16 26.15 1t03 h TRP 88 CO -0.33 1.41 -1.51 1.49 -1.28 0.00 0.00 178.44 178.22 1t03 h GLU 89 N 0.08 0.34 0.00 0.12 4.81 -1.71 -2.39 114.58 115.82 1t03 h GLU 89 Ca -0.25 -0.57 0.00 0.00 -0.13 0.00 0.00 59.36 58.41 1t03 h GLU 89 Cb 2.03 0.21 0.00 0.00 0.63 0.00 0.00 28.75 31.62 1t03 h GLU 89 CO 0.17 1.23 0.00 0.28 -0.73 0.00 0.00 179.01 179.96 1t03 n VAL 90 N -3.54 0.00 -0.26 0.32 0.31 -1.12 -4.01 118.33 110.03 1t03 n VAL 90 Ca -0.16 0.12 0.07 0.00 -0.01 0.00 0.00 64.34 64.36 1t03 n VAL 90 Cb 1.06 -0.90 0.20 0.00 -0.91 0.00 0.00 33.84 33.29 1t03 n VAL 90 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1t03 h GLN 91 N 0.00 0.23 -1.82 5.55 4.20 -0.44 -3.29 115.11 119.54 1t03 h GLN 91 Ca 0.00 -0.01 -0.46 0.00 0.06 0.00 0.00 58.65 58.23 1t03 h GLN 91 Cb 0.00 -0.05 -0.40 0.00 0.30 0.00 0.00 27.48 27.33 1t03 h GLN 91 CO 0.00 0.15 -1.16 1.28 -0.67 0.00 0.00 178.83 178.43 1t03 n LEU 92 N -5.20 1.21 -4.76 1.46 4.77 -0.63 -5.04 117.00 108.81 1t03 n LEU 92 Ca 0.15 -4.80 -0.40 0.00 -0.03 0.00 0.00 56.01 50.93 1t03 n LEU 92 Cb 0.51 0.57 -0.04 0.00 -2.33 0.00 0.00 43.42 42.13 1t03 n LEU 92 CO 0.10 2.15 0.78 -0.83 -1.33 0.00 0.00 177.39 178.27 1t03 s GLY 93 N -2.64 3.05 -0.46 -0.72 0.00 -0.90 -4.74 107.32 100.92 1t03 s GLY 93 Ca 0.38 0.88 -0.19 0.00 0.00 0.00 0.00 44.72 45.79 1t03 s GLY 93 CO -0.06 1.50 0.59 -0.42 0.00 0.00 0.00 173.10 174.71 1t03 s ILE 94 N -1.10 4.90 0.88 0.90 1.01 -1.26 -5.05 121.20 121.49 1t03 s ILE 94 Ca 0.45 -0.24 -0.17 0.00 0.00 0.00 0.00 60.65 60.68 1t03 s ILE 94 Cb -0.31 -4.21 -0.15 0.00 0.01 0.00 0.00 42.46 37.79 1t03 s ILE 94 CO 0.40 -0.65 -0.64 -2.65 0.00 0.00 0.00 174.94 171.40 1t03 n PRO 95 N 6.09 -0.00 -4.63 2.79 -0.02 -1.26 -5.00 135.00 132.97 1t03 n PRO 95 Ca -0.05 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.10 1t03 n PRO 95 Cb 0.47 -1.01 -0.12 0.00 -0.02 0.00 0.00 33.50 32.82 1t03 n PRO 95 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1t03 s HIS 96 N -2.00 2.91 -0.70 6.00 2.46 -1.26 -4.94 115.29 117.75 1t03 s HIS 96 Ca 0.44 -0.19 -0.26 0.00 0.47 0.00 0.00 55.06 55.52 1t03 s HIS 96 Cb -0.25 -1.78 -0.01 0.00 -0.13 0.00 0.00 32.58 30.40 1t03 s HIS 96 CO 0.79 0.13 1.74 -2.14 -2.47 0.00 0.00 174.74 172.80 1t03 s PRO 97 N -0.32 2.77 0.20 2.88 0.02 -1.26 -4.86 135.00 134.43 1t03 s PRO 97 Ca 0.04 0.23 -0.20 0.00 0.02 0.00 0.00 61.00 61.09 1t03 s PRO 97 Cb -0.13 -4.50 0.15 0.00 0.02 0.00 0.00 34.50 30.05 1t03 s PRO 97 CO 0.02 -2.69 1.58 0.00 -0.33 0.00 0.00 177.00 175.58 1t03 h ALA 98 N 13.22 0.02 0.00 -1.55 0.00 -1.95 -0.93 119.26 128.06 1t03 h ALA 98 Ca -0.19 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1t03 h ALA 98 Cb 1.11 0.83 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1t03 h ALA 98 CO 1.24 -0.66 0.00 0.41 0.00 0.00 0.00 179.25 180.24 1t03 n GLY 99 N -1.44 -1.00 0.36 0.00 0.00 -1.26 -3.86 105.19 97.99 1t03 n GLY 99 Ca 0.06 -0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.01 1t03 n GLY 99 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1t03 h LEU 100 N 0.00 0.86 -1.53 0.99 6.46 -1.48 0.36 115.31 120.96 1t03 h LEU 100 Ca 0.00 0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.77 1t03 h LEU 100 Cb 0.00 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 39.80 1t03 h LEU 100 CO 0.00 0.44 -0.07 0.07 -0.62 0.00 0.00 178.44 178.26 1t03 h LYS 101 N 0.91 0.21 0.00 1.25 2.10 -1.76 -2.80 116.57 116.49 1t03 h LYS 101 Ca 0.49 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 59.10 1t03 h LYS 101 Cb 0.56 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 1t03 h LYS 101 CO -0.26 0.30 0.00 1.63 -2.00 0.00 0.00 179.45 179.12 1t03 n LYS 102 N -4.34 0.85 -2.33 0.07 5.02 0.13 -4.58 118.16 112.98 1t03 n LYS 102 Ca -0.01 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.01 1t03 n LYS 102 Cb 0.22 -1.42 0.03 0.00 -0.02 0.00 0.00 35.03 33.84 1t03 n LYS 102 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1t03 s LYS 103 N -2.00 2.96 -0.11 1.97 -0.14 -1.06 -5.02 119.74 116.34 1t03 s LYS 103 Ca 0.34 0.09 0.08 0.00 -1.36 0.00 0.00 55.97 55.12 1t03 s LYS 103 Cb 0.16 -2.24 -0.24 0.00 -1.68 0.00 0.00 37.83 33.83 1t03 s LYS 103 CO 0.26 -0.72 0.41 0.36 -0.76 0.00 0.00 175.35 174.90 1t03 n LYS 104 N -2.63 0.67 -4.16 1.68 2.85 -1.10 -3.97 118.16 111.51 1t03 n LYS 104 Ca 0.05 0.22 -0.19 0.00 -1.05 0.00 0.00 58.31 57.34 1t03 n LYS 104 Cb 0.57 -1.70 -0.16 0.00 -0.65 0.00 0.00 35.03 33.09 1t03 n LYS 104 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1t03 s SER 105 N -6.25 0.84 -0.02 -5.58 0.01 -0.95 -4.18 113.70 97.58 1t03 s SER 105 Ca -0.13 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.02 1t03 s SER 105 Cb 0.07 -0.36 0.02 0.00 0.21 0.00 0.00 66.02 65.96 1t03 s SER 105 CO 0.79 -0.03 0.01 0.54 0.41 0.00 0.00 173.24 174.96 1t03 s VAL 106 N 0.71 0.06 0.24 3.43 0.11 0.11 0.26 120.40 125.33 1t03 s VAL 106 Ca -0.09 0.10 0.11 0.00 -2.93 0.00 0.00 61.98 59.16 1t03 s VAL 106 Cb -0.12 -0.15 -0.05 0.00 -1.53 0.00 0.00 36.38 34.53 1t03 s VAL 106 CO 0.00 0.09 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.80 1t03 s THR 107 N 0.73 2.68 -0.12 5.04 2.01 0.51 0.11 115.64 126.60 1t03 s THR 107 Ca -0.07 -2.14 0.00 0.00 0.31 0.00 0.00 61.69 59.79 1t03 s THR 107 Cb -0.10 -2.37 -0.02 0.00 0.01 0.00 0.00 72.50 70.03 1t03 s THR 107 CO -0.02 -0.29 -0.14 0.68 -0.69 0.00 0.00 174.62 174.17 1t03 s VAL 108 N -2.16 3.00 -0.12 3.82 -7.23 -1.26 0.24 120.40 116.69 1t03 s VAL 108 Ca 0.27 -0.69 -0.00 0.00 -1.81 0.00 0.00 61.98 59.75 1t03 s VAL 108 Cb -0.06 -2.25 -0.02 0.00 0.56 0.00 0.00 36.38 34.61 1t03 s VAL 108 CO 0.14 0.53 -0.10 -0.76 -0.31 0.00 0.00 175.10 174.60 1t03 s LEU 109 N 0.26 2.91 -1.36 1.32 2.01 0.07 -4.91 118.68 118.96 1t03 s LEU 109 Ca -0.09 -0.22 -0.15 0.00 0.01 0.00 0.00 54.13 53.68 1t03 s LEU 109 Cb -0.16 -1.66 0.08 0.00 0.01 0.00 0.00 46.19 44.47 1t03 s LEU 109 CO 0.05 0.22 1.96 -0.67 1.01 0.00 0.00 176.35 178.92 1t03 n ASP 110 N 3.20 4.49 -1.80 2.29 2.03 -1.26 -0.64 116.55 124.86 1t03 n ASP 110 Ca -0.18 -2.91 -0.03 0.00 0.52 0.00 0.00 54.79 52.19 1t03 n ASP 110 Cb 0.53 -1.66 -0.04 0.00 -0.72 0.00 0.00 41.12 39.23 1t03 n ASP 110 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1t03 n VAL 111 N 5.22 1.73 0.06 5.18 0.24 -1.02 -4.51 118.33 125.23 1t03 n VAL 111 Ca 0.48 -0.62 -0.13 0.00 -2.04 0.00 0.00 64.34 62.04 1t03 n VAL 111 Cb 0.41 -1.54 -0.08 0.00 -1.47 0.00 0.00 33.84 31.17 1t03 n VAL 111 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1t03 h GLY 112 N 3.93 -0.09 1.74 7.63 0.00 -1.88 -3.12 103.07 111.28 1t03 h GLY 112 Ca 0.05 0.03 0.02 0.00 0.00 0.00 0.00 47.33 47.44 1t03 h GLY 112 CO 0.10 -0.03 0.11 -0.55 0.00 0.00 0.00 176.54 176.16 1t03 h ASP 113 N -0.19 0.00 0.00 0.19 3.45 -1.81 -1.79 116.42 116.26 1t03 h ASP 113 Ca -0.01 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.45 1t03 h ASP 113 Cb 0.17 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.94 1t03 h ASP 113 CO 0.02 0.00 0.37 0.00 -1.57 0.00 0.00 179.24 178.05 1t03 h ALA 114 N 1.87 1.33 0.06 3.45 0.00 -1.84 0.27 119.26 124.39 1t03 h ALA 114 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.67 1t03 h ALA 114 Cb 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1t03 h ALA 114 CO -0.00 -0.33 -1.49 1.88 0.00 0.00 0.00 179.25 179.31 1t03 h TYR 115 N 0.00 0.22 0.00 0.00 0.05 -1.54 -3.36 116.97 112.34 1t03 h TYR 115 Ca 0.00 -0.16 0.00 0.00 0.05 0.00 0.00 58.73 58.62 1t03 h TYR 115 Cb 0.73 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.46 1t03 h TYR 115 CO 0.00 1.20 0.00 1.19 -1.05 0.00 0.00 178.16 179.50 1t03 n PHE 116 N -3.31 0.00 -2.08 4.88 3.72 0.08 -2.28 117.46 118.47 1t03 n PHE 116 Ca -0.14 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.25 1t03 n PHE 116 Cb 1.02 -0.00 0.10 0.00 -0.94 0.00 0.00 39.48 39.66 1t03 n PHE 116 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1t03 n SER 117 N -0.05 2.12 -3.71 4.37 3.41 -1.26 -4.96 113.62 113.54 1t03 n SER 117 Ca 0.00 -3.12 -0.16 0.00 -0.26 0.00 0.00 58.87 55.33 1t03 n SER 117 Cb 0.01 -0.42 -0.15 0.00 -0.26 0.00 0.00 64.21 63.38 1t03 n SER 117 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1t03 s VAL 118 N -2.70 -0.15 0.23 -3.33 1.01 -0.97 -4.74 120.40 109.76 1t03 s VAL 118 Ca 0.38 0.29 -0.30 0.00 0.00 0.00 0.00 61.98 62.35 1t03 s VAL 118 Cb 0.38 -0.24 -0.09 0.00 0.00 0.00 0.00 36.38 36.42 1t03 s VAL 118 CO -0.07 0.12 1.35 -2.16 0.00 0.00 0.00 175.10 174.34 1t03 s PRO 119 N 1.76 4.35 0.20 2.72 0.04 -1.26 -1.27 135.00 141.53 1t03 s PRO 119 Ca -0.02 2.15 -0.22 0.00 0.04 0.00 0.00 61.00 62.94 1t03 s PRO 119 Cb -0.12 -3.15 -0.08 0.00 0.04 0.00 0.00 34.50 31.19 1t03 s PRO 119 CO -0.05 -0.29 0.75 -1.17 0.04 0.00 0.00 177.00 176.28 1t03 s LEU 120 N -0.38 4.45 -0.12 -3.56 2.96 0.17 -4.64 118.68 117.55 1t03 s LEU 120 Ca 0.57 1.53 -0.41 0.00 -0.22 0.00 0.00 54.13 55.60 1t03 s LEU 120 Cb -0.39 -3.47 -0.19 0.00 0.50 0.00 0.00 46.19 42.65 1t03 s LEU 120 CO 0.41 0.11 1.28 -0.67 -1.32 0.00 0.00 176.35 176.16 1t03 n ASP 121 N 1.11 0.71 -0.37 3.68 2.03 -1.26 -4.81 116.55 117.63 1t03 n ASP 121 Ca -0.04 1.15 -0.06 0.00 0.52 0.00 0.00 54.79 56.37 1t03 n ASP 121 Cb 0.50 -0.97 -0.02 0.00 -0.72 0.00 0.00 41.12 39.91 1t03 n ASP 121 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1t03 h GLU 122 N 4.00 -0.03 0.07 -0.67 4.39 -1.93 -2.87 114.58 117.54 1t03 h GLU 122 Ca -0.49 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.21 1t03 h GLU 122 Cb 1.39 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.05 1t03 h GLU 122 CO 0.77 -0.02 -0.03 -0.44 -1.16 0.00 0.00 179.01 178.12 1t03 h ASP 123 N -0.03 -0.08 0.00 1.42 3.32 -1.96 -3.31 116.42 115.79 1t03 h ASP 123 Ca 0.26 -0.50 0.00 0.00 0.02 0.00 0.00 57.03 56.81 1t03 h ASP 123 Cb 0.53 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1t03 h ASP 123 CO -0.93 0.50 0.00 0.33 -1.72 0.00 0.00 179.24 177.42 1t03 n PHE 124 N -4.85 0.00 0.04 4.55 -0.00 -1.09 -3.10 117.46 113.01 1t03 n PHE 124 Ca -0.08 0.00 -0.05 0.00 -0.00 0.00 0.00 57.45 57.32 1t03 n PHE 124 Cb 0.29 0.00 -0.10 0.00 -0.00 0.00 0.00 39.48 39.67 1t03 n PHE 124 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1t03 h ARG 125 N 0.00 0.00 -0.76 -4.13 3.08 -1.64 -3.32 114.38 107.61 1t03 h ARG 125 Ca 0.00 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.13 1t03 h ARG 125 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 1t03 h ARG 125 CO 0.00 0.63 0.50 1.57 -1.07 0.00 0.00 179.97 181.60 1t03 h LYS 126 N 0.00 0.73 -0.07 0.04 2.10 -1.84 -2.61 116.57 114.92 1t03 h LYS 126 Ca -0.13 -0.04 0.02 0.00 -2.00 0.00 0.00 60.65 58.50 1t03 h LYS 126 Cb 1.76 -0.17 -0.00 0.00 -0.90 0.00 0.00 32.23 32.92 1t03 h LYS 126 CO 0.09 0.49 0.06 1.88 -2.00 0.00 0.00 179.45 179.97 1t03 h TYR 127 N 0.76 0.00 -0.19 0.07 0.05 -1.85 -2.71 116.97 113.10 1t03 h TYR 127 Ca 0.34 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.12 1t03 h TYR 127 Cb 0.33 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.07 1t03 h TYR 127 CO -0.00 0.00 0.00 0.25 -1.05 0.00 0.00 178.16 177.36 1t03 n THR 128 N -4.07 0.25 -1.54 -2.88 -2.24 -0.98 -4.63 114.28 98.17 1t03 n THR 128 Ca -0.01 -0.37 -0.41 0.00 -2.27 0.00 0.00 64.05 60.99 1t03 n THR 128 Cb 0.17 0.36 0.02 0.00 -2.10 0.00 0.00 70.33 68.77 1t03 n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1t03 n ALA 129 N 0.36 -0.52 -2.81 6.98 0.00 -1.02 -4.54 120.51 118.96 1t03 n ALA 129 Ca 0.16 0.16 -0.10 0.00 0.00 0.00 0.00 53.44 53.65 1t03 n ALA 129 Cb 0.33 -1.96 -0.07 0.00 0.00 0.00 0.00 19.45 17.75 1t03 n ALA 129 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1t03 s PHE 130 N -1.41 0.66 0.10 0.00 -0.71 -0.68 -2.27 117.98 113.67 1t03 s PHE 130 Ca 0.65 -0.97 0.02 0.00 -1.04 0.00 0.00 56.93 55.59 1t03 s PHE 130 Cb -0.55 -0.09 -0.04 0.00 -1.21 0.00 0.00 43.02 41.13 1t03 s PHE 130 CO 0.56 -0.86 -0.07 0.99 -1.34 0.00 0.00 175.22 174.50 1t03 s THR 131 N -4.07 0.75 -0.14 -4.49 2.01 -1.26 -1.91 115.64 106.54 1t03 s THR 131 Ca 0.29 -1.95 0.02 0.00 0.31 0.00 0.00 61.69 60.36 1t03 s THR 131 Cb 0.02 -1.70 0.01 0.00 0.01 0.00 0.00 72.50 70.84 1t03 s THR 131 CO 0.10 -0.86 -0.20 -0.63 -0.69 0.00 0.00 174.62 172.34 1t03 s ILE 132 N -3.58 1.96 1.07 1.82 1.01 -0.67 -4.64 121.20 118.16 1t03 s ILE 132 Ca 0.12 -0.91 -0.12 0.00 0.00 0.00 0.00 60.65 59.74 1t03 s ILE 132 Cb 0.05 -1.74 0.23 0.00 0.01 0.00 0.00 42.46 41.01 1t03 s ILE 132 CO -0.04 0.53 1.07 -2.84 0.00 0.00 0.00 174.94 173.65 1t03 s PRO 133 N 0.92 -0.20 -0.08 2.79 0.02 -1.26 -2.54 135.00 134.67 1t03 s PRO 133 Ca -0.05 1.01 -0.01 0.00 0.02 0.00 0.00 61.00 61.97 1t03 s PRO 133 Cb -0.15 -1.63 0.03 0.00 0.02 0.00 0.00 34.50 32.77 1t03 s PRO 133 CO -0.04 -3.29 -0.03 0.45 -0.33 0.00 0.00 177.00 173.77 1t03 s SER 134 N -2.68 1.60 0.28 2.53 0.15 -1.26 -4.87 113.70 109.45 1t03 s SER 134 Ca 0.67 -0.14 -0.28 0.00 0.70 0.00 0.00 55.95 56.90 1t03 s SER 134 Cb -0.23 -0.53 -0.14 0.00 -1.71 0.00 0.00 66.02 63.40 1t03 s SER 134 CO 0.62 -0.15 1.00 2.30 1.20 0.00 0.00 173.24 178.21 1t03 n ILE 135 N 4.88 1.94 -0.80 6.45 -6.64 -1.26 0.44 119.36 124.37 1t03 n ILE 135 Ca -0.12 -0.48 -0.04 0.00 -1.77 0.00 0.00 62.75 60.34 1t03 n ILE 135 Cb 0.50 -0.95 -0.02 0.00 -1.44 0.00 0.00 39.64 37.73 1t03 n ILE 135 CO 0.00 0.00 0.00 -3.20 -1.77 0.00 0.00 176.55 171.58 1t03 n ASN 136 N 1.30 -2.74 -3.49 7.28 5.15 -1.26 -1.61 115.26 119.90 1t03 n ASN 136 Ca 0.10 0.10 -0.18 0.00 -0.60 0.00 0.00 54.58 54.00 1t03 n ASN 136 Cb 0.31 -2.18 0.08 0.00 -0.53 0.00 0.00 39.78 37.46 1t03 n ASN 136 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1t03 n ASN 137 N 0.62 -2.10 -0.21 1.20 3.02 0.17 -4.89 115.26 113.06 1t03 n ASN 137 Ca -0.04 -0.67 -0.08 0.00 -0.03 0.00 0.00 54.58 53.75 1t03 n ASN 137 Cb 0.27 -4.87 0.05 0.00 -0.61 0.00 0.00 39.78 34.62 1t03 n ASN 137 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1t03 h GLU 138 N -1.85 1.06 -3.94 3.52 4.81 -1.43 -3.46 114.58 113.29 1t03 h GLU 138 Ca -0.60 -0.32 -0.11 0.00 -0.13 0.00 0.00 59.36 58.21 1t03 h GLU 138 Cb 1.34 -0.11 -0.13 0.00 0.63 0.00 0.00 28.75 30.48 1t03 h GLU 138 CO 0.51 1.02 -0.39 0.95 -0.73 0.00 0.00 179.01 180.37 1t03 s THR 139 N -5.07 0.09 1.00 0.32 -4.23 -1.26 -5.13 115.64 101.36 1t03 s THR 139 Ca -0.11 -1.41 -0.15 0.00 -1.18 0.00 0.00 61.69 58.83 1t03 s THR 139 Cb 0.14 -1.73 0.23 0.00 1.34 0.00 0.00 72.50 72.48 1t03 s THR 139 CO 0.85 -0.43 0.52 -2.65 -0.54 0.00 0.00 174.62 172.37 1t03 n PRO 140 N -0.15 -2.71 -2.67 3.99 -0.02 -1.26 -4.61 135.00 127.57 1t03 n PRO 140 Ca -0.09 -0.88 -0.31 0.00 -2.02 0.00 0.00 63.50 60.20 1t03 n PRO 140 Cb 0.63 -1.36 -0.03 0.00 -0.02 0.00 0.00 33.50 32.72 1t03 n PRO 140 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1t03 s GLY 141 N -2.34 2.03 -0.40 -1.23 0.00 -1.26 -4.73 107.32 99.37 1t03 s GLY 141 Ca 0.40 -0.01 -0.14 0.00 0.00 0.00 0.00 44.72 44.98 1t03 s GLY 141 CO 0.34 0.22 0.28 -0.42 0.00 0.00 0.00 173.10 173.52 1t03 s ILE 142 N -2.46 5.06 0.18 0.90 -1.09 -1.05 -4.87 121.20 117.87 1t03 s ILE 142 Ca 0.55 -0.75 0.01 0.00 -2.23 0.00 0.00 60.65 58.23 1t03 s ILE 142 Cb -0.10 -3.84 -0.04 0.00 -1.58 0.00 0.00 42.46 36.90 1t03 s ILE 142 CO 0.30 -0.31 0.34 -0.13 -1.23 0.00 0.00 174.94 173.91 1t03 s ARG 143 N 1.64 3.47 0.26 2.79 0.52 -1.26 -1.68 118.95 124.70 1t03 s ARG 143 Ca 0.04 -0.51 -0.10 0.00 -0.52 0.00 0.00 55.73 54.65 1t03 s ARG 143 Cb -0.19 -2.90 -0.01 0.00 0.52 0.00 0.00 34.95 32.37 1t03 s ARG 143 CO 0.09 0.45 0.45 0.71 0.02 0.00 0.00 175.30 177.02 1t03 s TYR 144 N -1.83 0.57 0.11 -0.53 2.02 -0.80 -2.83 117.35 114.06 1t03 s TYR 144 Ca 0.36 -0.90 -0.13 0.00 -0.37 0.00 0.00 57.07 56.02 1t03 s TYR 144 Cb -0.11 0.07 0.02 0.00 -0.40 0.00 0.00 41.96 41.55 1t03 s TYR 144 CO 0.29 -0.99 0.33 1.14 -1.57 0.00 0.00 175.55 174.74 1t03 s GLN 145 N -3.82 0.99 0.28 -0.62 -2.07 -0.44 -1.69 119.66 112.29 1t03 s GLN 145 Ca 0.26 -0.79 -0.19 0.00 -1.82 0.00 0.00 55.36 52.81 1t03 s GLN 145 Cb 0.00 0.43 -0.09 0.00 -1.09 0.00 0.00 33.01 32.26 1t03 s GLN 145 CO 0.11 -0.36 0.76 0.71 -1.32 0.00 0.00 175.29 175.19 1t03 s TYR 146 N -3.82 3.54 -0.01 9.60 1.51 -1.26 -1.56 117.35 125.35 1t03 s TYR 146 Ca 0.04 1.38 0.02 0.00 -1.01 0.00 0.00 57.07 57.50 1t03 s TYR 146 Cb 0.03 -2.63 -0.03 0.00 -0.11 0.00 0.00 41.96 39.21 1t03 s TYR 146 CO -0.12 0.22 0.04 0.09 -1.11 0.00 0.00 175.55 174.67 1t03 n ASN 147 N 0.27 4.49 -4.52 2.29 3.02 -0.84 -4.78 115.26 115.20 1t03 n ASN 147 Ca 0.01 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.31 1t03 n ASN 147 Cb 0.52 1.01 -0.10 0.00 -0.61 0.00 0.00 39.78 40.60 1t03 n ASN 147 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1t03 s VAL 148 N -2.14 2.06 -0.06 2.41 0.11 -1.24 0.41 120.40 121.96 1t03 s VAL 148 Ca -0.01 -2.17 -0.39 0.00 -2.93 0.00 0.00 61.98 56.48 1t03 s VAL 148 Cb 0.01 -2.61 -0.17 0.00 -1.53 0.00 0.00 36.38 32.08 1t03 s VAL 148 CO 0.09 -0.21 1.43 0.18 -3.33 0.00 0.00 175.10 173.26 1t03 n LEU 149 N -0.75 1.61 -4.87 2.54 4.77 -0.40 -4.52 117.00 115.38 1t03 n LEU 149 Ca -0.05 1.12 -0.31 0.00 -0.03 0.00 0.00 56.01 56.74 1t03 n LEU 149 Cb 0.64 -1.12 -0.04 0.00 -2.33 0.00 0.00 43.42 40.56 1t03 n LEU 149 CO 0.43 -0.98 0.40 -2.16 -1.33 0.00 0.00 177.39 173.75 1t03 s PRO 150 N 1.41 3.82 -0.05 3.23 0.04 -1.26 -4.28 135.00 137.92 1t03 s PRO 150 Ca 0.90 0.46 -0.30 0.00 0.04 0.00 0.00 61.00 62.11 1t03 s PRO 150 Cb -1.06 -2.44 -0.03 0.00 0.04 0.00 0.00 34.50 31.01 1t03 s PRO 150 CO 0.55 0.06 1.06 -0.65 0.04 0.00 0.00 177.00 178.07 1t03 s GLN 151 N -3.53 4.45 0.00 4.56 -0.21 -1.26 -3.70 119.66 119.97 1t03 s GLN 151 Ca 0.51 1.50 0.00 0.00 0.02 0.00 0.00 55.36 57.39 1t03 s GLN 151 Cb -0.10 -3.50 0.00 0.00 1.00 0.00 0.00 33.01 30.41 1t03 s GLN 151 CO 0.27 -0.26 0.00 0.41 -2.12 0.00 0.00 175.29 173.59 1t03 n GLY 152 N 3.11 0.78 3.07 3.09 0.00 -1.26 -4.65 105.19 109.33 1t03 n GLY 152 Ca 0.08 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 1t03 n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1t03 s TRP 153 N -2.00 3.25 0.25 1.61 -0.00 -1.24 -4.48 118.94 116.33 1t03 s TRP 153 Ca 0.00 -2.32 0.22 0.00 -0.00 0.00 0.00 56.10 54.00 1t03 s TRP 153 Cb 0.00 -1.92 0.80 0.00 -0.00 0.00 0.00 33.47 32.34 1t03 s TRP 153 CO 0.00 -0.88 0.75 1.63 -0.00 0.00 0.00 176.95 178.45 1t03 n LYS 154 N 4.43 -0.01 -0.11 5.86 4.76 -1.26 -0.20 118.16 131.63 1t03 n LYS 154 Ca -0.14 0.54 -0.11 0.00 -2.87 0.00 0.00 58.31 55.73 1t03 n LYS 154 Cb 0.42 -1.20 -0.03 0.00 -1.84 0.00 0.00 35.03 32.38 1t03 n LYS 154 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1t03 h GLY 155 N 0.00 0.64 0.00 0.72 0.00 -1.93 -3.34 103.07 99.16 1t03 h GLY 155 Ca 0.44 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1t03 h GLY 155 CO -0.07 0.46 0.00 1.44 0.00 0.00 0.00 176.54 178.37 1t03 n SER 156 N -4.50 0.00 -0.48 0.19 7.64 0.71 -0.41 113.62 116.77 1t03 n SER 156 Ca -0.02 0.78 0.41 0.00 1.01 0.00 0.00 58.87 61.05 1t03 n SER 156 Cb 0.29 -0.28 0.74 0.00 -1.01 0.00 0.00 64.21 63.96 1t03 n SER 156 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1t03 h PRO 157 N 0.00 0.04 -0.10 1.43 0.13 -1.75 0.73 132.00 132.48 1t03 h PRO 157 Ca 0.00 -0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.00 1t03 h PRO 157 Cb 0.00 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1t03 h PRO 157 CO 0.00 0.03 -0.42 0.00 -0.23 0.00 0.00 178.00 177.38 1t03 h ALA 158 N 1.31 0.19 0.01 -0.56 0.00 -1.21 0.52 119.26 119.53 1t03 h ALA 158 Ca 0.75 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1t03 h ALA 158 Cb 2.81 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.58 1t03 h ALA 158 CO -0.10 0.31 -0.00 0.82 0.00 0.00 0.00 179.25 180.28 1t03 h ILE 159 N 0.05 1.25 0.00 0.00 2.04 0.31 -3.00 117.51 118.15 1t03 h ILE 159 Ca -0.02 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.06 1t03 h ILE 159 Cb 1.06 1.77 -0.00 0.00 -0.74 0.00 0.00 36.82 38.90 1t03 h ILE 159 CO 0.09 0.20 -0.07 0.15 0.00 0.00 0.00 178.15 178.52 1t03 h PHE 160 N -0.34 0.00 -0.67 1.37 3.57 -0.55 -3.32 116.94 117.00 1t03 h PHE 160 Ca -0.00 0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.67 1t03 h PHE 160 Cb 0.33 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 38.95 1t03 h PHE 160 CO 0.04 0.07 -0.05 0.94 -2.23 0.00 0.00 178.31 177.08 1t03 n GLN 161 N -3.21 -0.06 0.29 1.11 7.27 0.18 -1.23 117.38 121.75 1t03 n GLN 161 Ca 0.00 1.02 -0.11 0.00 0.07 0.00 0.00 57.00 57.98 1t03 n GLN 161 Cb 0.33 -1.58 -0.05 0.00 2.41 0.00 0.00 30.24 31.35 1t03 n GLN 161 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1t03 h SER 162 N 0.00 -0.63 0.00 1.69 0.87 -1.77 -0.13 113.55 113.57 1t03 h SER 162 Ca 0.38 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.96 1t03 h SER 162 Cb 0.71 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 1t03 h SER 162 CO -0.65 -0.43 0.18 -1.54 -0.53 0.00 0.00 176.83 173.86 1t03 n SER 163 N -4.16 0.21 -0.04 6.23 3.41 -0.36 -1.32 113.62 117.59 1t03 n SER 163 Ca -0.09 0.49 -0.16 0.00 -0.26 0.00 0.00 58.87 58.85 1t03 n SER 163 Cb 0.30 -0.48 -0.14 0.00 -0.26 0.00 0.00 64.21 63.62 1t03 n SER 163 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1t03 n MET 164 N -1.74 0.70 -0.29 4.33 0.00 -0.38 -3.22 117.12 116.50 1t03 n MET 164 Ca -0.01 0.21 -0.01 0.00 -0.00 0.00 0.00 57.70 57.90 1t03 n MET 164 Cb 0.19 -1.67 0.17 0.00 0.00 0.00 0.00 33.22 31.91 1t03 n MET 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1t03 h THR 165 N 0.03 1.23 0.73 1.12 1.03 0.29 -2.45 112.91 114.88 1t03 h THR 165 Ca -0.44 -0.44 -0.04 0.00 -0.01 0.00 0.00 66.41 65.48 1t03 h THR 165 Cb 2.03 -0.03 0.01 0.00 -1.07 0.00 0.00 68.15 69.09 1t03 h THR 165 CO 0.04 0.23 -0.35 0.50 -0.01 0.00 0.00 175.52 175.93 1t03 h LYS 166 N 1.18 -0.94 -1.43 0.00 3.64 -1.65 -1.66 116.57 115.70 1t03 h LYS 166 Ca 0.31 0.06 0.42 0.00 -1.27 0.00 0.00 60.65 60.17 1t03 h LYS 166 Cb -0.11 0.21 -0.06 0.00 -0.41 0.00 0.00 32.23 31.87 1t03 h LYS 166 CO -0.06 -0.62 1.03 0.82 -2.27 0.00 0.00 179.45 178.35 1t03 h ILE 167 N -1.23 0.28 0.00 2.00 2.04 -1.48 0.23 117.51 119.35 1t03 h ILE 167 Ca -0.10 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 1t03 h ILE 167 Cb 0.76 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1t03 h ILE 167 CO 0.16 0.00 -1.31 0.18 0.00 0.00 0.00 178.15 177.18 1t03 n LEU 168 N -4.10 0.60 -0.28 1.44 4.77 -0.94 -4.45 117.00 114.04 1t03 n LEU 168 Ca 0.31 0.23 0.04 0.00 -0.03 0.00 0.00 56.01 56.56 1t03 n LEU 168 Cb 1.49 -0.03 0.12 0.00 -2.33 0.00 0.00 43.42 42.66 1t03 n LEU 168 CO 0.42 -0.12 0.73 -0.08 -1.33 0.00 0.00 177.39 177.00 1t03 h GLU 169 N 0.00 0.02 0.00 3.23 4.57 0.45 -0.70 114.58 122.15 1t03 h GLU 169 Ca -0.01 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1t03 h GLU 169 Cb 1.03 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.61 1t03 h GLU 169 CO 0.00 0.01 0.00 -2.30 -1.18 0.00 0.00 179.01 175.54 1t03 n PRO 170 N -5.49 0.00 -0.64 0.92 -0.02 -1.26 -1.86 135.00 126.65 1t03 n PRO 170 Ca 0.12 0.46 0.50 0.00 -2.02 0.00 0.00 63.50 62.57 1t03 n PRO 170 Cb 0.44 -1.46 0.78 0.00 -0.02 0.00 0.00 33.50 33.24 1t03 n PRO 170 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1t03 n PHE 171 N -1.89 0.22 0.10 6.00 7.35 -1.06 0.16 117.46 128.34 1t03 n PHE 171 Ca 0.00 0.22 -0.15 0.00 -0.76 0.00 0.00 57.45 56.75 1t03 n PHE 171 Cb 0.00 -0.70 -0.14 0.00 0.35 0.00 0.00 39.48 38.99 1t03 n PHE 171 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1t03 h LYS 172 N 0.00 0.25 0.00 -4.13 1.57 -1.01 -2.92 116.57 110.33 1t03 h LYS 172 Ca 0.93 -0.43 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 1t03 h LYS 172 Cb 3.51 0.16 0.00 0.00 0.08 0.00 0.00 32.23 35.98 1t03 h LYS 172 CO -0.15 1.20 0.00 1.17 -0.57 0.00 0.00 179.45 181.10 1t03 n LYS 173 N -3.52 0.18 -0.27 3.15 4.81 0.42 -2.03 118.16 120.90 1t03 n LYS 173 Ca -0.08 0.18 0.07 0.00 -0.87 0.00 0.00 58.31 57.61 1t03 n LYS 173 Cb 1.02 -1.72 0.20 0.00 0.02 0.00 0.00 35.03 34.55 1t03 n LYS 173 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1t03 n GLN 174 N -2.04 2.93 -2.66 1.64 1.13 -0.63 -4.56 117.38 113.20 1t03 n GLN 174 Ca 0.05 -2.29 -0.05 0.00 -1.94 0.00 0.00 57.00 52.77 1t03 n GLN 174 Cb 0.38 -1.43 0.10 0.00 0.11 0.00 0.00 30.24 29.40 1t03 n GLN 174 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1t03 n ASN 175 N 0.54 -1.68 -0.46 1.08 5.03 -1.11 -5.02 115.26 113.65 1t03 n ASN 175 Ca 0.15 -2.28 0.40 0.00 0.87 0.00 0.00 54.58 53.72 1t03 n ASN 175 Cb 0.54 0.92 0.74 0.00 -1.02 0.00 0.00 39.78 40.97 1t03 n ASN 175 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 1t03 h PRO 176 N 1.65 0.04 0.00 3.52 0.13 -1.65 0.46 132.00 136.15 1t03 h PRO 176 Ca -0.34 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.76 1t03 h PRO 176 Cb 1.29 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 1t03 h PRO 176 CO -0.11 0.03 -0.15 -0.44 -0.23 0.00 0.00 178.00 177.10 1t03 h ASP 177 N 0.04 0.00 -4.08 1.44 3.32 -1.95 -3.44 116.42 111.75 1t03 h ASP 177 Ca 0.72 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 57.32 1t03 h ASP 177 Cb 2.71 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 42.26 1t03 h ASP 177 CO -0.09 0.15 0.35 -0.63 -1.72 0.00 0.00 179.24 177.31 1t03 s ILE 178 N -4.32 4.31 -0.06 0.35 1.01 0.15 -4.76 121.20 117.88 1t03 s ILE 178 Ca -0.03 1.38 0.04 0.00 0.00 0.00 0.00 60.65 62.04 1t03 s ILE 178 Cb 0.14 -3.59 -0.00 0.00 0.01 0.00 0.00 42.46 39.02 1t03 s ILE 178 CO 0.62 -0.36 -0.18 -0.69 0.00 0.00 0.00 174.94 174.33 1t03 s VAL 179 N -2.22 1.56 -0.10 2.92 1.01 -0.60 -4.99 120.40 117.98 1t03 s VAL 179 Ca 0.62 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.87 1t03 s VAL 179 Cb -0.10 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 34.93 1t03 s VAL 179 CO 0.17 0.45 -0.20 -0.63 0.00 0.00 0.00 175.10 174.89 1t03 s ILE 180 N 0.20 1.76 0.02 2.22 1.01 -1.25 -0.45 121.20 124.70 1t03 s ILE 180 Ca -0.09 -0.83 0.04 0.00 0.00 0.00 0.00 60.65 59.77 1t03 s ILE 180 Cb -0.14 -1.55 -0.02 0.00 0.01 0.00 0.00 42.46 40.77 1t03 s ILE 180 CO 0.04 0.49 -0.12 -0.47 0.00 0.00 0.00 174.94 174.88 1t03 s TYR 181 N 0.56 1.05 -0.12 3.97 5.04 0.20 -4.93 117.35 123.12 1t03 s TYR 181 Ca -0.15 -0.29 0.03 0.00 -2.44 0.00 0.00 57.07 54.22 1t03 s TYR 181 Cb -0.17 -0.64 0.00 0.00 0.35 0.00 0.00 41.96 41.50 1t03 s TYR 181 CO 0.05 0.00 -0.22 -1.14 -1.34 0.00 0.00 175.55 172.90 1t03 s GLN 182 N -0.79 3.06 -0.24 4.97 0.74 -1.26 0.32 119.66 126.47 1t03 s GLN 182 Ca 0.02 -0.86 -0.01 0.00 0.05 0.00 0.00 55.36 54.56 1t03 s GLN 182 Cb -0.06 -2.37 0.07 0.00 1.10 0.00 0.00 33.01 31.74 1t03 s GLN 182 CO 0.00 0.11 0.03 -0.47 -0.55 0.00 0.00 175.29 174.41 1t03 s TYR 183 N 0.52 1.58 0.00 1.67 5.04 -0.39 -4.99 117.35 120.78 1t03 s TYR 183 Ca -0.14 -1.34 0.00 0.00 -2.44 0.00 0.00 57.07 53.15 1t03 s TYR 183 Cb -0.17 -1.37 0.00 0.00 0.35 0.00 0.00 41.96 40.77 1t03 s TYR 183 CO 0.05 -0.73 0.00 -1.33 -1.34 0.00 0.00 175.55 172.20 1t03 n MET 184 N 4.89 0.00 0.00 4.97 2.81 -1.26 -1.03 117.12 127.51 1t03 n MET 184 Ca -0.08 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 1t03 n MET 184 Cb 0.45 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.96 1t03 n MET 184 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1t03 n ASP 185 N 4.47 0.19 -4.27 7.83 9.92 -1.26 -4.76 116.55 128.68 1t03 n ASP 185 Ca 0.00 -1.21 -0.15 0.00 -0.53 0.00 0.00 54.79 52.90 1t03 n ASP 185 Cb 0.00 -0.10 -0.10 0.00 -0.64 0.00 0.00 41.12 40.28 1t03 n ASP 185 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1t03 s ASP 186 N -1.08 1.85 -0.17 -2.24 1.01 -0.19 -2.45 116.67 113.41 1t03 s ASP 186 Ca 0.00 -1.03 0.00 0.00 0.71 0.00 0.00 52.55 52.23 1t03 s ASP 186 Cb 0.00 -0.02 0.04 0.00 1.01 0.00 0.00 42.92 43.95 1t03 s ASP 186 CO 0.00 -0.34 -0.09 -0.22 0.21 0.00 0.00 175.17 174.73 1t03 s LEU 187 N -3.19 1.82 -0.42 1.23 2.96 0.19 -1.26 118.68 120.01 1t03 s LEU 187 Ca 0.18 -0.68 -0.19 0.00 -0.22 0.00 0.00 54.13 53.23 1t03 s LEU 187 Cb 0.03 -1.07 0.02 0.00 0.50 0.00 0.00 46.19 45.67 1t03 s LEU 187 CO 0.02 -0.14 0.52 -0.31 -1.32 0.00 0.00 176.35 175.12 1t03 s TYR 188 N 1.53 3.13 -0.15 5.38 2.02 0.96 -0.75 117.35 129.47 1t03 s TYR 188 Ca 0.01 -0.21 -0.00 0.00 -0.37 0.00 0.00 57.07 56.50 1t03 s TYR 188 Cb -0.15 -3.07 -0.01 0.00 -0.40 0.00 0.00 41.96 38.33 1t03 s TYR 188 CO -0.08 -0.75 -0.14 0.08 -1.57 0.00 0.00 175.55 173.08 1t03 s VAL 189 N 2.42 2.86 -0.01 0.71 1.01 0.14 0.58 120.40 128.11 1t03 s VAL 189 Ca 0.17 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1t03 s VAL 189 Cb -0.16 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.01 1t03 s VAL 189 CO 0.16 0.51 -0.05 -0.83 0.00 0.00 0.00 175.10 174.89 1t03 s GLY 190 N 0.65 0.30 0.34 4.51 0.00 0.40 0.19 107.32 113.71 1t03 s GLY 190 Ca -0.07 -0.19 0.04 0.00 0.00 0.00 0.00 44.72 44.49 1t03 s GLY 190 CO 0.02 -0.07 0.07 -1.35 0.00 0.00 0.00 173.10 171.77 1t03 s SER 191 N 0.07 2.42 0.00 1.64 1.04 0.14 -1.56 113.70 117.45 1t03 s SER 191 Ca -0.00 -1.42 0.10 0.00 0.48 0.00 0.00 55.95 55.11 1t03 s SER 191 Cb -0.05 0.01 0.15 0.00 0.10 0.00 0.00 66.02 66.24 1t03 s SER 191 CO -0.00 -0.66 0.97 0.47 0.98 0.00 0.00 173.24 175.00 1t03 n ASP 192 N -0.77 2.21 -4.89 7.02 8.00 -1.26 -2.23 116.55 124.63 1t03 n ASP 192 Ca -0.03 -1.63 -0.30 0.00 0.71 0.00 0.00 54.79 53.54 1t03 n ASP 192 Cb 0.66 -0.08 0.05 0.00 -0.02 0.00 0.00 41.12 41.74 1t03 n ASP 192 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1t03 s LEU 193 N -0.91 2.86 0.80 0.64 2.34 -1.26 -4.95 118.68 118.20 1t03 s LEU 193 Ca 0.15 1.02 -0.16 0.00 0.06 0.00 0.00 54.13 55.21 1t03 s LEU 193 Cb 0.09 -3.77 -0.04 0.00 -0.56 0.00 0.00 46.19 41.92 1t03 s LEU 193 CO 0.13 -1.42 0.28 1.21 -1.06 0.00 0.00 176.35 175.49 1t03 n GLU 194 N -3.02 0.09 -0.26 1.48 2.13 -1.26 -4.49 120.64 115.31 1t03 n GLU 194 Ca 0.07 0.07 0.02 0.00 0.66 0.00 0.00 57.16 57.98 1t03 n GLU 194 Cb 0.58 -1.67 0.24 0.00 0.27 0.00 0.00 31.44 30.87 1t03 n GLU 194 CO 0.00 0.00 0.00 0.97 -0.41 0.00 0.00 177.13 177.69 1t03 h ILE 195 N -0.72 1.13 -0.85 6.31 2.10 -1.99 0.73 117.51 124.23 1t03 h ILE 195 Ca -0.44 -0.35 -0.02 0.00 1.08 0.00 0.00 64.86 65.12 1t03 h ILE 195 Cb 1.33 0.02 -0.04 0.00 -1.09 0.00 0.00 36.82 37.04 1t03 h ILE 195 CO 0.38 0.19 0.43 1.23 -1.08 0.00 0.00 178.15 179.30 1t03 h GLY 196 N 1.02 1.29 0.87 8.18 0.00 -2.00 0.10 103.07 112.54 1t03 h GLY 196 Ca 0.33 -0.61 -0.15 0.00 0.00 0.00 0.00 47.33 46.90 1t03 h GLY 196 CO -0.10 0.59 -0.54 1.46 0.00 0.00 0.00 176.54 177.95 1t03 h GLN 197 N 1.19 0.51 0.02 4.80 1.08 -1.55 -2.99 115.11 118.18 1t03 h GLN 197 Ca 0.29 -0.44 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 1t03 h GLN 197 Cb 0.08 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 1t03 h GLN 197 CO -0.04 1.07 -0.07 1.25 -0.95 0.00 0.00 178.83 180.09 1t03 h HIS 198 N 0.09 -0.20 -0.40 2.96 2.76 -0.72 0.51 115.15 120.16 1t03 h HIS 198 Ca -0.04 0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.22 1t03 h HIS 198 Cb 1.20 0.08 -0.08 0.00 1.55 0.00 0.00 27.41 30.16 1t03 h HIS 198 CO 0.12 -0.08 -0.07 0.54 -1.30 0.00 0.00 177.93 177.14 1t03 n ARG 199 N -2.81 -0.04 0.15 5.26 3.00 0.34 0.28 116.66 122.85 1t03 n ARG 199 Ca -0.01 0.62 -0.06 0.00 -0.01 0.00 0.00 57.85 58.39 1t03 n ARG 199 Cb 0.05 -0.94 -0.03 0.00 0.00 0.00 0.00 32.46 31.55 1t03 n ARG 199 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 1t03 h THR 200 N 0.00 0.00 -1.17 0.55 2.02 -0.94 -2.41 112.91 110.96 1t03 h THR 200 Ca 0.21 -0.19 0.34 0.00 0.77 0.00 0.00 66.41 67.54 1t03 h THR 200 Cb 0.34 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.71 1t03 h THR 200 CO -0.40 0.00 1.14 0.50 0.37 0.00 0.00 175.52 177.13 1t03 h LYS 201 N -0.58 0.00 0.08 6.66 1.63 0.45 0.80 116.57 125.62 1t03 h LYS 201 Ca -0.04 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1t03 h LYS 201 Cb 0.30 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1t03 h LYS 201 CO 0.07 0.00 -0.04 0.82 -3.45 0.00 0.00 179.45 176.85 1t03 h ILE 202 N 0.00 0.71 0.00 2.00 1.08 -0.78 -2.18 117.51 118.34 1t03 h ILE 202 Ca 0.56 -1.35 0.00 0.00 -0.39 0.00 0.00 64.86 63.67 1t03 h ILE 202 Cb 2.83 1.29 0.00 0.00 -3.07 0.00 0.00 36.82 37.87 1t03 h ILE 202 CO -0.01 0.22 0.14 1.21 -0.69 0.00 0.00 178.15 179.02 1t03 n GLU 203 N -4.81 0.07 -0.02 2.37 4.07 0.25 0.81 120.64 123.38 1t03 n GLU 203 Ca -0.05 0.52 -0.13 0.00 -0.06 0.00 0.00 57.16 57.43 1t03 n GLU 203 Cb 0.22 -1.86 -0.14 0.00 -0.06 0.00 0.00 31.44 29.59 1t03 n GLU 203 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1t03 n GLU 204 N -1.86 0.68 -0.07 5.31 1.02 0.46 -3.81 120.64 122.37 1t03 n GLU 204 Ca -0.01 0.26 -0.05 0.00 -0.02 0.00 0.00 57.16 57.34 1t03 n GLU 204 Cb 0.15 -1.74 0.15 0.00 -0.02 0.00 0.00 31.44 29.98 1t03 n GLU 204 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1t03 h LEU 205 N 0.02 0.70 -0.94 -4.62 5.85 0.11 -2.55 115.31 113.89 1t03 h LEU 205 Ca -0.36 -0.21 0.17 0.00 0.84 0.00 0.00 57.88 58.32 1t03 h LEU 205 Cb 2.03 -0.19 -0.10 0.00 0.37 0.00 0.00 40.66 42.77 1t03 h LEU 205 CO 0.07 0.86 0.52 0.03 -0.34 0.00 0.00 178.44 179.59 1t03 h ARG 206 N 0.64 0.66 0.58 1.25 2.47 -1.18 -0.85 114.38 117.96 1t03 h ARG 206 Ca 0.11 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.76 1t03 h ARG 206 Cb 0.60 -0.15 0.01 0.00 -1.65 0.00 0.00 29.97 28.78 1t03 h ARG 206 CO 0.04 0.44 -0.28 1.96 0.56 0.00 0.00 179.97 182.69 1t03 h GLN 207 N 0.68 -0.76 -1.57 0.04 1.08 -1.56 -0.71 115.11 112.31 1t03 h GLN 207 Ca 0.53 0.05 0.48 0.00 -1.45 0.00 0.00 58.65 58.26 1t03 h GLN 207 Cb 0.81 0.17 -0.09 0.00 -0.05 0.00 0.00 27.48 28.32 1t03 h GLN 207 CO -0.39 -0.50 1.09 1.25 -0.95 0.00 0.00 178.83 179.33 1t03 h HIS 208 N -1.07 0.23 0.35 2.96 2.76 -1.13 0.88 115.15 120.12 1t03 h HIS 208 Ca -0.08 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.08 1t03 h HIS 208 Cb 0.60 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.51 1t03 h HIS 208 CO 0.02 -0.09 -0.17 -0.07 -1.30 0.00 0.00 177.93 176.33 1t03 h LEU 209 N 0.04 -0.40 -1.59 0.26 3.38 -0.98 -3.23 115.31 112.79 1t03 h LEU 209 Ca 0.83 -0.05 0.24 0.00 0.09 0.00 0.00 57.88 58.99 1t03 h LEU 209 Cb 3.02 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 43.80 1t03 h LEU 209 CO -0.18 0.05 0.64 0.25 0.09 0.00 0.00 178.44 179.29 1t03 h LEU 210 N -1.09 0.32 0.00 1.67 5.85 0.21 1.13 115.31 123.41 1t03 h LEU 210 Ca -0.05 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1t03 h LEU 210 Cb 0.42 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1t03 h LEU 210 CO 0.08 0.11 0.00 0.54 -0.34 0.00 0.00 178.44 178.83 1t03 n ARG 211 N -4.48 0.27 -0.05 1.25 1.74 0.11 -1.82 116.66 113.68 1t03 n ARG 211 Ca 0.21 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 1t03 n ARG 211 Cb 0.82 -1.14 0.00 0.00 -1.02 0.00 0.00 32.46 31.12 1t03 n ARG 211 CO 0.00 0.00 0.00 1.87 -1.52 0.00 0.00 177.63 177.98 1t03 n TRP 212 N -0.64 0.00 0.00 -1.55 -0.00 0.39 -5.02 117.44 110.62 1t03 n TRP 212 Ca 0.02 -0.06 0.00 0.00 -0.00 0.00 0.00 57.50 57.46 1t03 n TRP 212 Cb 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 1t03 n TRP 212 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1t03 n GLY 213 N -0.06 2.85 3.56 5.87 0.00 -0.76 -5.00 105.19 111.65 1t03 n GLY 213 Ca 0.00 -0.29 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 1t03 n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t03 s LEU 214 N 0.00 3.36 -0.18 0.99 1.02 -1.22 -4.91 118.68 117.73 1t03 s LEU 214 Ca 0.00 0.76 -0.22 0.00 0.02 0.00 0.00 54.13 54.69 1t03 s LEU 214 Cb 0.00 -2.62 -0.02 0.00 0.02 0.00 0.00 46.19 43.57 1t03 s LEU 214 CO 0.00 -2.53 0.67 0.28 0.02 0.00 0.00 176.35 174.80 1t03 s THR 215 N 10.19 5.00 0.01 5.49 -1.32 -1.26 -3.07 115.64 130.67 1t03 s THR 215 Ca 0.81 1.29 0.01 0.00 -1.21 0.00 0.00 61.69 62.60 1t03 s THR 215 Cb -0.16 -3.99 -0.04 0.00 -1.51 0.00 0.00 72.50 66.81 1t03 s THR 215 CO 0.24 0.11 0.04 0.28 -2.21 0.00 0.00 174.62 173.08 1t03 s THR 216 N 1.86 4.40 0.76 5.08 -1.32 -1.26 -4.60 115.64 120.56 1t03 s THR 216 Ca 0.31 -0.57 -0.16 0.00 -1.21 0.00 0.00 61.69 60.06 1t03 s THR 216 Cb -0.16 -3.00 -0.05 0.00 -1.51 0.00 0.00 72.50 67.77 1t03 s THR 216 CO 0.11 0.33 0.27 -2.65 -2.21 0.00 0.00 174.62 170.47 1t03 n PRO 217 N 1.17 0.14 -3.50 7.08 -0.02 -1.26 -4.96 135.00 133.66 1t03 n PRO 217 Ca -0.13 0.08 -0.42 0.00 -2.02 0.00 0.00 63.50 61.01 1t03 n PRO 217 Cb 0.53 -1.63 -0.07 0.00 -0.02 0.00 0.00 33.50 32.30 1t03 n PRO 217 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1t03 s ASP 218 N -1.44 5.84 0.37 2.55 2.15 -1.26 -5.00 116.67 119.88 1t03 s ASP 218 Ca 0.60 -1.98 -0.27 0.00 0.43 0.00 0.00 52.55 51.33 1t03 s ASP 218 Cb -0.33 -2.06 -0.09 0.00 -0.30 0.00 0.00 42.92 40.15 1t03 s ASP 218 CO 0.63 -0.71 1.21 -0.54 -0.17 0.00 0.00 175.17 175.59 1t03 s LYS 219 N 1.27 4.19 -0.08 4.34 1.02 -1.26 -4.62 119.74 124.60 1t03 s LYS 219 Ca 0.06 1.95 0.02 0.00 0.02 0.00 0.00 55.97 58.03 1t03 s LYS 219 Cb -0.26 -2.84 -0.02 0.00 -0.52 0.00 0.00 37.83 34.19 1t03 s LYS 219 CO -0.01 -0.24 -0.14 -1.59 -0.92 0.00 0.00 175.35 172.46 1t03 s LYS 220 N -2.06 2.88 -0.21 1.68 0.00 -1.05 -4.99 119.74 116.00 1t03 s LYS 220 Ca 0.53 -0.69 -0.03 0.00 0.00 0.00 0.00 55.97 55.78 1t03 s LYS 220 Cb -0.34 -2.49 -0.01 0.00 0.00 0.00 0.00 37.83 35.00 1t03 s LYS 220 CO 0.43 0.45 -0.05 -1.01 0.00 0.00 0.00 175.35 175.17 1t03 s HIS 221 N -0.26 2.95 0.21 1.78 3.76 -1.26 -4.78 115.29 117.69 1t03 s HIS 221 Ca 0.02 -0.86 -0.02 0.00 -0.15 0.00 0.00 55.06 54.04 1t03 s HIS 221 Cb -0.13 -2.07 -0.05 0.00 1.11 0.00 0.00 32.58 31.44 1t03 s HIS 221 CO 0.03 -0.48 0.42 -1.14 -0.85 0.00 0.00 174.74 172.72 1t03 s GLN 222 N 1.29 3.56 0.00 1.40 2.00 -1.26 -4.99 119.66 121.66 1t03 s GLN 222 Ca 0.03 -0.23 0.25 0.00 -2.00 0.00 0.00 55.36 53.42 1t03 s GLN 222 Cb -0.14 -2.80 0.52 0.00 0.80 0.00 0.00 33.01 31.38 1t03 s GLN 222 CO -0.02 0.37 1.42 1.63 -0.50 0.00 0.00 175.29 178.19 1t03 n LYS 223 N -0.58 0.45 -2.79 1.67 4.01 -1.26 -4.86 118.16 114.79 1t03 n LYS 223 Ca -0.04 -0.28 -0.33 0.00 -0.51 0.00 0.00 58.31 57.15 1t03 n LYS 223 Cb 0.53 -1.49 -0.06 0.00 -0.51 0.00 0.00 35.03 33.50 1t03 n LYS 223 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1t03 s GLU 224 N -2.75 4.16 0.00 1.97 0.41 -1.26 -5.02 118.70 116.21 1t03 s GLU 224 Ca 0.17 1.04 0.00 0.00 -0.41 0.00 0.00 54.97 55.77 1t03 s GLU 224 Cb 0.18 -2.20 0.00 0.00 -1.78 0.00 0.00 34.13 30.33 1t03 s GLU 224 CO 0.63 -0.05 0.00 -2.30 -0.49 0.00 0.00 175.26 173.05 1t03 n PRO 225 N -0.76 0.00 -1.54 0.39 -0.02 -1.26 -4.28 135.00 127.53 1t03 n PRO 225 Ca 0.06 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.28 1t03 n PRO 225 Cb 0.54 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.92 1t03 n PRO 225 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1t03 n PRO 226 N 0.00 0.52 -0.97 0.52 -0.02 -1.26 -4.75 135.00 129.04 1t03 n PRO 226 Ca 0.00 -0.30 -0.27 0.00 -2.02 0.00 0.00 63.50 60.91 1t03 n PRO 226 Cb 0.00 -2.79 -0.04 0.00 -0.02 0.00 0.00 33.50 30.66 1t03 n PRO 226 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1t03 n PHE 227 N 14.20 1.62 -0.33 6.00 0.99 -1.26 -4.65 117.46 134.04 1t03 n PHE 227 Ca 0.51 -2.32 0.22 0.00 -0.00 0.00 0.00 57.45 55.85 1t03 n PHE 227 Cb 0.35 -1.96 0.44 0.00 -1.00 0.00 0.00 39.48 37.31 1t03 n PHE 227 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1t03 h LEU 228 N 7.40 0.44 0.00 4.37 3.38 -1.91 0.83 115.31 129.82 1t03 h LEU 228 Ca 0.61 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.77 1t03 h LEU 228 Cb 0.33 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1t03 h LEU 228 CO 1.44 -0.12 0.02 -2.67 0.09 0.00 0.00 178.44 177.20 1t03 n TRP 229 N -5.07 0.00 0.32 1.13 4.27 -1.26 -0.08 117.44 116.75 1t03 n TRP 229 Ca 0.30 0.00 0.14 0.00 -3.89 0.00 0.00 57.50 54.04 1t03 n TRP 229 Cb 0.92 -0.38 0.38 0.00 -1.36 0.00 0.00 31.31 30.88 1t03 n TRP 229 CO 0.00 0.00 0.00 0.52 -2.29 0.00 0.00 177.69 175.92 1t03 h MET 230 N 0.00 0.00 0.00 -2.67 2.86 0.31 -3.18 114.93 112.24 1t03 h MET 230 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1t03 h MET 230 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1t03 h MET 230 CO 0.00 0.00 -0.88 0.78 1.06 0.00 0.00 176.91 177.87 1t03 h GLY 231 N 3.38 0.00 -0.64 8.32 0.00 -0.66 -3.39 103.07 110.08 1t03 h GLY 231 Ca 0.00 0.00 0.27 0.00 0.00 0.00 0.00 47.33 47.60 1t03 h GLY 231 CO 0.00 0.00 0.34 -1.72 0.00 0.00 0.00 176.54 175.16 1t03 n TYR 232 N -2.48 0.74 -1.84 5.60 4.02 -1.20 -4.31 117.16 117.68 1t03 n TYR 232 Ca 0.01 0.76 -0.31 0.00 -0.01 0.00 0.00 57.90 58.35 1t03 n TYR 232 Cb 0.51 -1.19 0.02 0.00 -0.02 0.00 0.00 39.34 38.66 1t03 n TYR 232 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 1t03 s GLU 233 N -5.00 3.49 0.13 -0.72 1.03 -1.26 -4.63 118.70 111.74 1t03 s GLU 233 Ca -0.06 0.76 0.09 0.00 0.03 0.00 0.00 54.97 55.79 1t03 s GLU 233 Cb 0.22 -2.07 -0.04 0.00 -0.80 0.00 0.00 34.13 31.44 1t03 s GLU 233 CO 0.50 -0.65 -0.18 -0.51 -1.33 0.00 0.00 175.26 173.09 1t03 s LEU 234 N -5.23 2.69 -0.28 1.83 1.02 0.31 -4.90 118.68 114.13 1t03 s LEU 234 Ca 0.55 -0.59 -0.02 0.00 0.02 0.00 0.00 54.13 54.10 1t03 s LEU 234 Cb -0.11 -1.52 0.09 0.00 0.02 0.00 0.00 46.19 44.67 1t03 s LEU 234 CO 0.54 0.17 0.08 -1.00 0.02 0.00 0.00 176.35 176.16 1t03 s HIS 235 N -1.23 1.33 0.00 0.29 3.76 -1.26 0.06 115.29 118.25 1t03 s HIS 235 Ca 0.19 -1.38 -0.01 0.00 -0.15 0.00 0.00 55.06 53.71 1t03 s HIS 235 Cb -0.10 -1.41 -0.04 0.00 1.11 0.00 0.00 32.58 32.14 1t03 s HIS 235 CO 0.10 -0.80 1.43 -2.30 -0.85 0.00 0.00 174.74 172.32 1t03 n PRO 236 N 4.96 0.71 0.00 8.40 -0.02 -1.25 -3.32 135.00 144.48 1t03 n PRO 236 Ca -0.05 -0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 1t03 n PRO 236 Cb 0.43 -1.38 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 1t03 n PRO 236 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1t03 n ASP 237 N 2.00 0.57 -0.73 2.55 8.00 -1.26 -4.65 116.55 123.04 1t03 n ASP 237 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1t03 n ASP 237 Cb 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 1t03 n ASP 237 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1t03 n LYS 238 N -2.47 0.56 -3.38 -1.24 4.81 -1.21 -4.06 118.16 111.16 1t03 n LYS 238 Ca 0.00 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.04 1t03 n LYS 238 Cb 0.22 -1.25 -0.03 0.00 0.02 0.00 0.00 35.03 33.99 1t03 n LYS 238 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 1t03 n TRP 239 N 0.45 4.09 -3.92 5.64 7.02 -1.26 -5.04 117.44 124.42 1t03 n TRP 239 Ca 0.00 -3.73 -0.36 0.00 -1.02 0.00 0.00 57.50 52.39 1t03 n TRP 239 Cb 0.20 -1.30 -0.07 0.00 -2.42 0.00 0.00 31.31 27.73 1t03 n TRP 239 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1t03 s THR 240 N -1.77 5.36 0.81 -0.99 -4.23 -1.26 -5.09 115.64 108.46 1t03 s THR 240 Ca 0.31 0.15 -0.11 0.00 -1.18 0.00 0.00 61.69 60.86 1t03 s THR 240 Cb -0.03 -3.34 0.08 0.00 1.34 0.00 0.00 72.50 70.54 1t03 s THR 240 CO -0.05 0.59 1.13 -0.69 -0.54 0.00 0.00 174.62 175.06 1t03 s VAL 241 N -0.81 2.74 -0.55 2.29 1.01 -1.26 -4.73 120.40 119.10 1t03 s VAL 241 Ca 0.14 0.27 0.04 0.00 0.00 0.00 0.00 61.98 62.42 1t03 s VAL 241 Cb -0.12 -2.60 0.14 0.00 0.00 0.00 0.00 36.38 33.80 1t03 s VAL 241 CO 0.03 -0.29 0.32 -1.58 0.00 0.00 0.00 175.10 173.58 1t03 s GLN 242 N -4.61 1.92 0.80 2.72 2.00 -0.38 -4.92 119.66 117.19 1t03 s GLN 242 Ca 0.65 -2.67 -0.11 0.00 -2.00 0.00 0.00 55.36 51.24 1t03 s GLN 242 Cb -0.21 -3.08 0.07 0.00 0.80 0.00 0.00 33.01 30.60 1t03 s GLN 242 CO 0.54 -1.18 1.09 -2.14 -0.50 0.00 0.00 175.29 173.10 1t03 s PRO 243 N -0.45 2.04 0.22 1.67 0.02 -1.26 -4.66 135.00 132.58 1t03 s PRO 243 Ca 0.20 0.86 -0.14 0.00 0.02 0.00 0.00 61.00 61.94 1t03 s PRO 243 Cb -0.19 -1.90 -0.08 0.00 0.02 0.00 0.00 34.50 32.36 1t03 s PRO 243 CO -0.05 -1.71 0.60 0.96 -0.33 0.00 0.00 177.00 176.48 1t03 s ILE 244 N -3.02 4.81 0.02 2.83 -0.00 -1.26 -4.83 121.20 119.75 1t03 s ILE 244 Ca 0.61 0.79 0.03 0.00 -0.00 0.00 0.00 60.65 62.08 1t03 s ILE 244 Cb -0.16 -3.69 -0.01 0.00 -0.00 0.00 0.00 42.46 38.60 1t03 s ILE 244 CO 0.55 0.06 -0.11 0.54 -0.00 0.00 0.00 174.94 175.98 1t03 s VAL 245 N -1.68 0.84 -0.00 8.37 0.11 -1.26 -4.78 120.40 121.99 1t03 s VAL 245 Ca 0.45 -0.72 -0.20 0.00 -2.93 0.00 0.00 61.98 58.58 1t03 s VAL 245 Cb -0.13 -0.75 -0.05 0.00 -1.53 0.00 0.00 36.38 33.91 1t03 s VAL 245 CO 0.20 0.04 0.58 -0.76 -3.33 0.00 0.00 175.10 171.83 1t03 s LEU 246 N -0.76 4.42 0.67 2.54 1.43 -1.26 -4.91 118.68 120.82 1t03 s LEU 246 Ca 0.01 1.14 -0.05 0.00 -1.03 0.00 0.00 54.13 54.21 1t03 s LEU 246 Cb -0.06 -2.89 0.05 0.00 0.03 0.00 0.00 46.19 43.32 1t03 s LEU 246 CO 0.00 0.12 0.09 -2.65 0.23 0.00 0.00 176.35 174.14 1t03 n PRO 247 N 2.65 -0.77 -3.35 1.29 -0.02 -1.26 -5.02 135.00 128.51 1t03 n PRO 247 Ca -0.07 -0.23 -0.15 0.00 -2.02 0.00 0.00 63.50 61.02 1t03 n PRO 247 Cb 0.51 -1.15 -0.07 0.00 -0.02 0.00 0.00 33.50 32.77 1t03 n PRO 247 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1t03 s GLU 248 N -2.48 0.60 0.27 -0.52 2.02 -1.26 -5.13 118.70 112.20 1t03 s GLU 248 Ca 0.12 -0.68 0.07 0.00 0.02 0.00 0.00 54.97 54.49 1t03 s GLU 248 Cb -0.02 -0.65 -0.03 0.00 0.10 0.00 0.00 34.13 33.54 1t03 s GLU 248 CO 0.11 -1.17 0.28 0.15 0.02 0.00 0.00 175.26 174.65 1t03 s LYS 249 N 1.63 3.03 -0.19 1.61 -0.14 -1.26 -5.04 119.74 119.39 1t03 s LYS 249 Ca 0.16 -1.02 -0.02 0.00 -1.36 0.00 0.00 55.97 53.73 1t03 s LYS 249 Cb -0.14 -2.65 -0.22 0.00 -1.68 0.00 0.00 37.83 33.14 1t03 s LYS 249 CO -0.09 0.32 0.07 -0.40 -0.76 0.00 0.00 175.35 174.49 1t03 n ASP 250 N -1.31 2.01 -3.94 2.83 3.85 -1.26 -4.87 116.55 113.87 1t03 n ASP 250 Ca -0.06 0.03 -0.26 0.00 -0.71 0.00 0.00 54.79 53.79 1t03 n ASP 250 Cb 0.58 -0.60 -0.17 0.00 -1.35 0.00 0.00 41.12 39.58 1t03 n ASP 250 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 1t03 s SER 251 N -6.75 2.11 -0.47 -1.12 1.04 -1.26 -5.03 113.70 102.22 1t03 s SER 251 Ca -0.28 -0.31 -0.16 0.00 0.48 0.00 0.00 55.95 55.68 1t03 s SER 251 Cb 0.08 -0.85 0.06 0.00 0.10 0.00 0.00 66.02 65.41 1t03 s SER 251 CO 0.69 -0.08 0.41 0.26 0.98 0.00 0.00 173.24 175.49 1t03 s TRP 252 N 1.48 3.22 1.15 5.02 0.52 -1.26 -4.99 118.94 124.07 1t03 s TRP 252 Ca 0.01 -0.84 -0.13 0.00 0.02 0.00 0.00 56.10 55.16 1t03 s TRP 252 Cb -0.13 -3.15 0.27 0.00 -1.15 0.00 0.00 33.47 29.31 1t03 s TRP 252 CO -0.06 -0.80 1.04 0.95 0.02 0.00 0.00 176.95 178.10 1t03 s THR 253 N 1.76 1.98 0.06 2.01 -4.23 -1.26 -2.32 115.64 113.65 1t03 s THR 253 Ca 0.05 0.00 -0.28 0.00 -1.18 0.00 0.00 61.69 60.28 1t03 s THR 253 Cb -0.23 -2.18 -0.14 0.00 1.34 0.00 0.00 72.50 71.30 1t03 s THR 253 CO 0.08 0.00 1.43 0.58 -0.54 0.00 0.00 174.62 176.17 1t03 h VAL 254 N -2.51 0.00 -0.17 2.29 2.07 -0.56 -2.12 116.25 115.24 1t03 h VAL 254 Ca -0.60 0.00 0.02 0.00 0.82 0.00 0.00 66.70 66.93 1t03 h VAL 254 Cb 1.34 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1t03 h VAL 254 CO 0.52 0.00 -0.10 -3.20 0.02 0.00 0.00 177.57 174.81 1t03 n ASN 255 N -4.81 -0.18 -0.12 0.57 5.15 -1.05 0.21 115.26 115.03 1t03 n ASN 255 Ca -0.10 0.80 0.27 0.00 -0.60 0.00 0.00 54.58 54.95 1t03 n ASN 255 Cb 0.37 -0.29 0.66 0.00 -0.53 0.00 0.00 39.78 39.99 1t03 n ASN 255 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 1t03 h ASP 256 N 0.00 0.00 -0.03 1.20 5.19 -1.84 -0.09 116.42 120.85 1t03 h ASP 256 Ca 0.03 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.22 1t03 h ASP 256 Cb 0.07 0.00 0.02 0.00 0.18 0.00 0.00 39.33 39.59 1t03 h ASP 256 CO -0.16 0.00 -0.82 0.40 -3.12 0.00 0.00 179.24 175.55 1t03 h ILE 257 N 0.00 1.33 0.43 0.35 1.08 0.32 -3.15 117.51 117.87 1t03 h ILE 257 Ca 0.40 -2.11 -0.02 0.00 -0.39 0.00 0.00 64.86 62.73 1t03 h ILE 257 Cb 2.01 2.38 0.00 0.00 -3.07 0.00 0.00 36.82 38.14 1t03 h ILE 257 CO -0.00 0.64 -0.21 1.56 -0.69 0.00 0.00 178.15 179.45 1t03 h GLN 258 N 0.23 -0.55 -0.07 2.37 4.20 -0.64 -1.50 115.11 119.14 1t03 h GLN 258 Ca -0.09 0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.66 1t03 h GLN 258 Cb 1.48 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 29.38 1t03 h GLN 258 CO 0.16 -0.29 -0.04 1.63 -0.67 0.00 0.00 178.83 179.62 1t03 n LYS 259 N -5.27 -0.03 0.22 1.46 4.76 -1.07 0.25 118.16 118.47 1t03 n LYS 259 Ca -0.11 0.93 0.16 0.00 -2.87 0.00 0.00 58.31 56.43 1t03 n LYS 259 Cb 0.28 -1.39 0.70 0.00 -1.84 0.00 0.00 35.03 32.78 1t03 n LYS 259 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1t03 h LEU 260 N 0.00 0.00 0.08 -0.35 5.85 -1.50 0.21 115.31 119.60 1t03 h LEU 260 Ca 0.01 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.54 1t03 h LEU 260 Cb 0.03 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.08 1t03 h LEU 260 CO -0.07 0.00 -0.80 0.58 -0.34 0.00 0.00 178.44 177.81 1t03 h VAL 261 N 0.00 1.44 0.22 1.05 2.07 0.45 -2.43 116.25 119.04 1t03 h VAL 261 Ca 0.09 -2.34 -0.01 0.00 0.82 0.00 0.00 66.70 65.27 1t03 h VAL 261 Cb 1.05 2.87 -0.00 0.00 -1.52 0.00 0.00 31.29 33.69 1t03 h VAL 261 CO -0.00 0.68 -0.13 1.23 0.02 0.00 0.00 177.57 179.37 1t03 h GLY 262 N -0.15 -0.55 -0.52 2.17 0.00 0.30 0.51 103.07 104.82 1t03 h GLY 262 Ca -0.12 0.23 0.05 0.00 0.00 0.00 0.00 47.33 47.48 1t03 h GLY 262 CO 0.15 -0.20 -0.37 0.50 0.00 0.00 0.00 176.54 176.63 1t03 h LYS 263 N -0.32 -0.08 -1.20 4.80 1.57 -1.49 2.26 116.57 122.11 1t03 h LYS 263 Ca -0.03 0.01 0.34 0.00 -1.87 0.00 0.00 60.65 59.10 1t03 h LYS 263 Cb 0.26 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.51 1t03 h LYS 263 CO 0.03 -0.05 0.83 -0.07 -0.57 0.00 0.00 179.45 179.62 1t03 h LEU 264 N -0.08 0.18 0.09 2.94 3.38 -1.43 0.62 115.31 121.01 1t03 h LEU 264 Ca 0.08 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1t03 h LEU 264 Cb 0.30 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1t03 h LEU 264 CO -0.53 0.01 -0.05 -1.13 0.09 0.00 0.00 178.44 176.83 1t03 h ASN 265 N 0.14 -0.11 0.38 -0.43 -1.24 0.59 -2.73 115.58 112.19 1t03 h ASN 265 Ca 0.63 -0.44 -0.01 0.00 0.71 0.00 0.00 56.30 57.19 1t03 h ASN 265 Cb 2.15 0.03 -0.03 0.00 0.73 0.00 0.00 38.32 41.20 1t03 h ASN 265 CO -0.15 0.43 -0.46 -0.25 -1.29 0.00 0.00 177.43 175.70 1t03 h TRP 266 N -0.69 -1.30 -1.35 0.67 2.91 0.18 -1.30 115.95 115.07 1t03 h TRP 266 Ca -0.01 0.02 0.39 0.00 1.13 0.00 0.00 58.89 60.41 1t03 h TRP 266 Cb 0.54 0.52 -0.05 0.00 -0.51 0.00 0.00 29.16 29.65 1t03 h TRP 266 CO 0.10 -0.60 1.01 0.00 -1.03 0.00 0.00 178.44 177.92 1t03 h ALA 267 N -0.91 3.27 -0.53 2.65 0.00 -1.18 0.51 119.26 123.07 1t03 h ALA 267 Ca -0.05 -0.05 0.15 0.00 0.00 0.00 0.00 54.91 54.97 1t03 h ALA 267 Cb 0.77 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1t03 h ALA 267 CO -0.10 -1.71 0.48 0.66 0.00 0.00 0.00 179.25 178.58 1t03 h SER 268 N 0.00 0.00 -0.23 0.00 4.64 -0.90 0.46 113.55 117.52 1t03 h SER 268 Ca 0.64 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.79 1t03 h SER 268 Cb 2.66 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.75 1t03 h SER 268 CO -0.01 0.00 -0.48 1.56 -0.87 0.00 0.00 176.83 177.03 1t03 h GLN 269 N 0.00 0.81 0.00 4.77 4.20 -0.09 -3.18 115.11 121.61 1t03 h GLN 269 Ca 0.25 -0.47 0.00 0.00 0.06 0.00 0.00 58.65 58.49 1t03 h GLN 269 Cb 1.21 0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.03 1t03 h GLN 269 CO -0.00 1.10 0.00 -0.89 -0.67 0.00 0.00 178.83 178.37 1t03 n ILE 270 N -4.01 0.00 -3.58 2.54 2.08 0.15 -4.72 119.36 111.81 1t03 n ILE 270 Ca -0.03 0.72 -0.37 0.00 0.56 0.00 0.00 62.75 63.63 1t03 n ILE 270 Cb 0.59 -1.41 -0.09 0.00 -0.75 0.00 0.00 39.64 37.98 1t03 n ILE 270 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 1t03 s TYR 271 N -0.94 3.34 -0.52 1.39 2.02 -0.54 -4.77 117.35 117.34 1t03 s TYR 271 Ca 0.00 0.36 0.25 0.00 -0.37 0.00 0.00 57.07 57.30 1t03 s TYR 271 Cb 0.00 -2.34 0.95 0.00 -0.40 0.00 0.00 41.96 40.17 1t03 s TYR 271 CO 0.00 0.07 1.74 -2.30 -1.57 0.00 0.00 175.55 173.48 1t03 n PRO 272 N 4.26 0.22 -0.11 -1.71 -0.02 -1.20 -3.87 135.00 132.56 1t03 n PRO 272 Ca -0.13 0.38 -0.01 0.00 -2.02 0.00 0.00 63.50 61.72 1t03 n PRO 272 Cb 0.52 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 1t03 n PRO 272 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1t03 n GLY 273 N 0.31 2.16 3.35 -1.23 0.00 -1.26 -4.77 105.19 103.75 1t03 n GLY 273 Ca 0.03 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1t03 n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1t03 s ILE 274 N -0.10 4.06 0.01 -0.61 -1.09 -1.25 -4.92 121.20 117.30 1t03 s ILE 274 Ca 0.02 -0.71 0.02 0.00 -2.23 0.00 0.00 60.65 57.74 1t03 s ILE 274 Cb 0.01 -3.12 -0.04 0.00 -1.58 0.00 0.00 42.46 37.74 1t03 s ILE 274 CO 0.00 0.03 0.01 -0.54 -1.23 0.00 0.00 174.94 173.21 1t03 s LYS 275 N 1.51 2.78 0.00 2.79 -0.14 -1.26 -4.88 119.74 120.53 1t03 s LYS 275 Ca 0.02 -0.63 0.00 0.00 -1.36 0.00 0.00 55.97 54.00 1t03 s LYS 275 Cb -0.17 -2.67 0.00 0.00 -1.68 0.00 0.00 37.83 33.31 1t03 s LYS 275 CO 0.03 0.61 0.00 0.28 -0.76 0.00 0.00 175.35 175.52 1t03 n VAL 276 N 1.26 0.00 -0.02 3.17 0.31 -1.26 -4.83 118.33 116.96 1t03 n VAL 276 Ca -0.14 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.18 1t03 n VAL 276 Cb 0.53 -0.23 -0.01 0.00 -0.91 0.00 0.00 33.84 33.22 1t03 n VAL 276 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1t03 h ARG 277 N 0.00 -0.03 0.00 5.55 9.65 -1.97 1.49 114.38 129.07 1t03 h ARG 277 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1t03 h ARG 277 Cb 0.39 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.98 1t03 h ARG 277 CO 0.00 -0.02 0.33 0.37 2.80 0.00 0.00 179.97 183.45 1t03 h GLN 278 N -0.03 0.00 0.00 0.20 5.75 -1.92 0.23 115.11 119.34 1t03 h GLN 278 Ca 0.01 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1t03 h GLN 278 Cb 0.05 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.60 1t03 h GLN 278 CO -0.06 0.00 -1.48 1.28 -2.65 0.00 0.00 178.83 175.93 1t03 n LEU 279 N -2.66 0.29 0.02 -2.39 4.32 0.48 -4.32 117.00 112.73 1t03 n LEU 279 Ca -0.02 -0.17 0.07 0.00 -0.02 0.00 0.00 56.01 55.87 1t03 n LEU 279 Cb 0.37 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.06 1t03 n LEU 279 CO 0.11 0.07 -0.51 -1.54 -1.22 0.00 0.00 177.39 174.31 1t03 n SER 280 N -1.88 0.39 -0.33 -1.43 3.41 0.48 -4.20 113.62 110.06 1t03 n SER 280 Ca -0.01 0.16 0.18 0.00 -0.26 0.00 0.00 58.87 58.94 1t03 n SER 280 Cb 0.40 1.12 0.39 0.00 -0.26 0.00 0.00 64.21 65.87 1t03 n SER 280 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1t03 h LYS 281 N 0.00 0.43 0.00 4.33 1.57 -1.17 0.39 116.57 122.12 1t03 h LYS 281 Ca -0.09 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1t03 h LYS 281 Cb 1.25 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1t03 h LYS 281 CO 0.01 0.29 0.72 -0.07 -0.57 0.00 0.00 179.45 179.83 1t03 h LEU 282 N 0.44 0.00 -7.55 2.94 3.38 -1.84 -2.35 115.31 110.33 1t03 h LEU 282 Ca 0.65 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.95 1t03 h LEU 282 Cb 1.33 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 41.70 1t03 h LEU 282 CO -0.54 0.00 -0.55 -0.76 0.09 0.00 0.00 178.44 176.69 1t03 s LEU 283 N -4.89 4.82 -0.15 1.67 1.43 0.14 -4.91 118.68 116.79 1t03 s LEU 283 Ca -0.01 -2.69 0.09 0.00 -1.03 0.00 0.00 54.13 50.49 1t03 s LEU 283 Cb 0.03 -1.73 -0.15 0.00 0.03 0.00 0.00 46.19 44.36 1t03 s LEU 283 CO 0.08 -0.34 -0.02 -1.14 0.23 0.00 0.00 176.35 175.16 1t03 n ARG 284 N 3.62 1.32 -4.18 1.70 3.00 -0.89 -5.00 116.66 116.23 1t03 n ARG 284 Ca 0.05 0.03 -0.11 0.00 -0.00 0.00 0.00 57.85 57.81 1t03 n ARG 284 Cb 0.37 -1.35 -0.10 0.00 0.00 0.00 0.00 32.46 31.38 1t03 n ARG 284 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1t03 s GLY 285 N -5.02 0.84 -0.58 5.14 0.00 -1.26 -5.05 107.32 101.38 1t03 s GLY 285 Ca -0.12 -1.39 -0.12 0.00 0.00 0.00 0.00 44.72 43.09 1t03 s GLY 285 CO 0.51 -1.48 1.69 -0.37 0.00 0.00 0.00 173.10 173.46 1t03 n THR 286 N -0.08 0.00 -4.34 0.90 5.66 -1.26 -4.89 114.28 110.27 1t03 n THR 286 Ca -0.11 -0.37 -0.23 0.00 -3.05 0.00 0.00 64.05 60.29 1t03 n THR 286 Cb 0.61 -0.78 -0.08 0.00 -1.55 0.00 0.00 70.33 68.53 1t03 n THR 286 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1t03 s LYS 287 N 6.83 2.14 0.94 1.09 -2.85 -1.26 -5.12 119.74 121.51 1t03 s LYS 287 Ca 0.59 -1.49 -0.11 0.00 -1.00 0.00 0.00 55.97 53.96 1t03 s LYS 287 Cb -0.19 -2.07 0.09 0.00 -2.06 0.00 0.00 37.83 33.60 1t03 s LYS 287 CO 0.17 0.36 0.77 0.00 0.10 0.00 0.00 175.35 176.75 1t03 n ALA 288 N -0.76 -1.75 -0.06 0.59 0.00 -1.26 -4.95 120.51 112.31 1t03 n ALA 288 Ca -0.06 -0.59 -0.09 0.00 0.00 0.00 0.00 53.44 52.69 1t03 n ALA 288 Cb 0.59 -1.99 -0.08 0.00 0.00 0.00 0.00 19.45 17.96 1t03 n ALA 288 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1t03 h LEU 289 N -1.74 0.00 0.00 0.00 3.38 -1.99 -3.32 115.31 111.63 1t03 h LEU 289 Ca -0.43 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 56.91 1t03 h LEU 289 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1t03 h LEU 289 CO 0.38 0.83 0.00 0.35 0.09 0.00 0.00 178.44 180.09 1t03 n THR 290 N -4.67 0.06 -2.41 0.22 -2.24 -1.26 -1.21 114.28 102.77 1t03 n THR 290 Ca -0.07 0.02 -0.43 0.00 -2.27 0.00 0.00 64.05 61.30 1t03 n THR 290 Cb 0.31 -1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 67.51 1t03 n THR 290 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1t03 s GLU 291 N -1.90 3.63 0.67 -0.78 2.12 -1.25 -4.69 118.70 116.51 1t03 s GLU 291 Ca 0.00 0.87 -0.17 0.00 0.36 0.00 0.00 54.97 56.04 1t03 s GLU 291 Cb 0.00 -3.99 -0.05 0.00 0.26 0.00 0.00 34.13 30.35 1t03 s GLU 291 CO 0.00 -1.49 0.58 0.28 -0.54 0.00 0.00 175.26 174.09 1t03 n VAL 292 N 6.96 2.11 -3.83 3.70 0.31 -1.26 -2.05 118.33 124.26 1t03 n VAL 292 Ca 0.15 -0.43 -0.13 0.00 -0.01 0.00 0.00 64.34 63.92 1t03 n VAL 292 Cb 0.48 -0.77 -0.15 0.00 -0.91 0.00 0.00 33.84 32.50 1t03 n VAL 292 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1t03 s ILE 293 N -1.82 -0.02 -0.27 2.52 -1.09 -0.98 -4.82 121.20 114.71 1t03 s ILE 293 Ca 0.67 0.08 -0.22 0.00 -2.23 0.00 0.00 60.65 58.95 1t03 s ILE 293 Cb -0.38 -0.04 -0.01 0.00 -1.58 0.00 0.00 42.46 40.45 1t03 s ILE 293 CO 0.56 0.03 0.73 -2.84 -1.23 0.00 0.00 174.94 172.19 1t03 s PRO 294 N 0.42 4.07 0.06 2.79 0.02 -1.26 -4.19 135.00 136.91 1t03 s PRO 294 Ca -0.03 0.65 -0.30 0.00 0.02 0.00 0.00 61.00 61.33 1t03 s PRO 294 Cb -0.05 -3.68 -0.09 0.00 0.02 0.00 0.00 34.50 30.71 1t03 s PRO 294 CO -0.01 -0.53 1.77 -0.51 -0.33 0.00 0.00 177.00 177.38 1t03 s LEU 295 N 2.74 4.38 0.54 -5.54 1.43 -1.26 -4.96 118.68 116.01 1t03 s LEU 295 Ca 0.30 2.56 -0.19 0.00 -1.03 0.00 0.00 54.13 55.77 1t03 s LEU 295 Cb -0.15 -3.55 -0.06 0.00 0.03 0.00 0.00 46.19 42.46 1t03 s LEU 295 CO 0.10 -0.96 1.11 -0.89 0.23 0.00 0.00 176.35 175.93 1t03 s THR 296 N 3.25 3.33 0.28 5.49 2.01 -1.26 -4.69 115.64 124.05 1t03 s THR 296 Ca 0.79 0.81 0.36 0.00 0.31 0.00 0.00 61.69 63.96 1t03 s THR 296 Cb -0.41 -3.32 0.38 0.00 0.01 0.00 0.00 72.50 69.16 1t03 s THR 296 CO 0.35 -0.20 2.10 1.05 -0.69 0.00 0.00 174.62 177.23 1t03 h GLU 297 N 1.19 0.00 0.00 4.92 9.09 -1.97 0.65 114.58 128.46 1t03 h GLU 297 Ca -0.50 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.91 1t03 h GLU 297 Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 1t03 h GLU 297 CO 0.57 0.00 -0.83 -0.85 0.05 0.00 0.00 179.01 177.95 1t03 n GLU 298 N -2.86 0.40 0.00 1.06 -0.00 -1.26 -3.42 120.64 114.56 1t03 n GLU 298 Ca -0.01 0.08 0.00 0.00 -0.00 0.00 0.00 57.16 57.23 1t03 n GLU 298 Cb 0.13 -1.71 0.00 0.00 -0.00 0.00 0.00 31.44 29.86 1t03 n GLU 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1t03 n ALA 299 N -1.94 0.00 0.14 -1.84 0.00 0.19 -4.16 120.51 112.89 1t03 n ALA 299 Ca 0.02 -0.12 0.03 0.00 0.00 0.00 0.00 53.44 53.37 1t03 n ALA 299 Cb 0.48 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.09 1t03 n ALA 299 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1t03 n GLU 300 N -2.01 0.05 0.14 0.00 4.07 0.78 0.42 120.64 124.09 1t03 n GLU 300 Ca 0.00 0.46 -0.14 0.00 -0.06 0.00 0.00 57.16 57.43 1t03 n GLU 300 Cb 0.00 -2.12 -0.08 0.00 -0.06 0.00 0.00 31.44 29.18 1t03 n GLU 300 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1t03 h LEU 301 N 0.00 -0.27 0.00 4.31 5.85 -1.70 -3.22 115.31 120.28 1t03 h LEU 301 Ca 0.00 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1t03 h LEU 301 Cb 0.94 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.04 1t03 h LEU 301 CO 0.00 -0.06 -0.83 -0.33 -0.34 0.00 0.00 178.44 176.88 1t03 h GLU 302 N -0.46 0.00 0.13 1.25 4.39 -0.21 -3.24 114.58 116.44 1t03 h GLU 302 Ca -0.03 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1t03 h GLU 302 Cb 0.35 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1t03 h GLU 302 CO 0.05 0.00 -0.11 1.25 -1.16 0.00 0.00 179.01 179.05 1t03 h LEU 303 N 0.00 -0.29 0.00 1.33 5.85 -1.50 1.61 115.31 122.31 1t03 h LEU 303 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1t03 h LEU 303 Cb 0.94 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.06 1t03 h LEU 303 CO 0.00 -0.15 0.00 0.00 -0.34 0.00 0.00 178.44 177.95 1t03 n ALA 304 N -2.32 1.37 -0.08 1.25 0.00 -1.22 -1.81 120.51 117.71 1t03 n ALA 304 Ca -0.03 -0.02 -0.23 0.00 0.00 0.00 0.00 53.44 53.17 1t03 n ALA 304 Cb 0.10 -1.08 -0.12 0.00 0.00 0.00 0.00 19.45 18.35 1t03 n ALA 304 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1t03 n GLU 305 N -1.34 0.63 -0.20 0.00 0.00 -0.36 -3.75 120.64 115.64 1t03 n GLU 305 Ca 0.02 0.41 -0.03 0.00 0.00 0.00 0.00 57.16 57.56 1t03 n GLU 305 Cb 0.04 -1.69 0.07 0.00 0.00 0.00 0.00 31.44 29.86 1t03 n GLU 305 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 1t03 h ASN 306 N -0.60 0.47 -0.50 4.31 2.35 0.31 -0.68 115.58 121.24 1t03 h ASN 306 Ca -0.44 0.02 0.11 0.00 -0.55 0.00 0.00 56.30 55.45 1t03 h ASN 306 Cb 1.61 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 39.89 1t03 h ASN 306 CO -0.14 0.32 0.35 0.08 -1.65 0.00 0.00 177.43 176.39 1t03 h ARG 307 N 0.60 0.18 0.00 0.81 0.11 -1.58 0.52 114.38 115.02 1t03 h ARG 307 Ca 0.25 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 60.32 1t03 h ARG 307 Cb 0.13 -0.04 -0.00 0.00 1.11 0.00 0.00 29.97 31.17 1t03 h ARG 307 CO -0.15 0.12 -0.02 1.49 0.10 0.00 0.00 179.97 181.50 1t03 h GLU 308 N 0.18 0.00 0.00 0.08 4.22 -1.20 -0.38 114.58 117.48 1t03 h GLU 308 Ca 0.23 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.67 1t03 h GLU 308 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1t03 h GLU 308 CO -0.04 0.02 -0.08 -0.89 -2.18 0.00 0.00 179.01 175.84 1t03 n ILE 309 N -4.25 0.38 -2.29 2.32 2.08 0.18 -4.00 119.36 113.78 1t03 n ILE 309 Ca -0.03 -0.19 -0.39 0.00 0.56 0.00 0.00 62.75 62.70 1t03 n ILE 309 Cb 0.10 -0.48 0.03 0.00 -0.75 0.00 0.00 39.64 38.54 1t03 n ILE 309 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1t03 n LEU 310 N -2.00 7.13 0.00 1.39 4.77 -0.15 -4.33 117.00 123.81 1t03 n LEU 310 Ca 0.06 -5.12 0.00 0.00 -0.03 0.00 0.00 56.01 50.91 1t03 n LEU 310 Cb 0.40 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.45 1t03 n LEU 310 CO 0.30 1.94 0.14 0.29 -1.33 0.00 0.00 177.39 178.72 1t03 n LYS 311 N -0.33 0.00 -4.39 3.23 5.02 -1.26 -4.57 118.16 115.87 1t03 n LYS 311 Ca 0.49 -0.27 -0.22 0.00 -2.02 0.00 0.00 58.31 56.29 1t03 n LYS 311 Cb 0.28 -0.31 -0.08 0.00 -0.02 0.00 0.00 35.03 34.89 1t03 n LYS 311 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1t03 s GLU 312 N 0.00 1.80 0.33 1.97 0.41 -1.26 -5.10 118.70 116.86 1t03 s GLU 312 Ca 0.00 -2.07 -0.28 0.00 -0.41 0.00 0.00 54.97 52.21 1t03 s GLU 312 Cb 0.00 -0.11 -0.10 0.00 -1.78 0.00 0.00 34.13 32.14 1t03 s GLU 312 CO 0.00 -0.56 1.19 -1.25 -0.49 0.00 0.00 175.26 174.15 1t03 s PRO 313 N -3.61 4.40 1.10 0.39 0.04 -1.26 -5.00 135.00 131.05 1t03 s PRO 313 Ca 0.33 1.95 -0.18 0.00 0.04 0.00 0.00 61.00 63.13 1t03 s PRO 313 Cb 0.03 -3.02 0.08 0.00 0.04 0.00 0.00 34.50 31.63 1t03 s PRO 313 CO 0.21 -0.05 -0.01 0.28 0.04 0.00 0.00 177.00 177.46 1t03 n VAL 314 N 0.78 0.00 -0.54 -0.36 0.31 -1.26 -4.72 118.33 112.53 1t03 n VAL 314 Ca 0.01 -0.28 -0.25 0.00 -0.01 0.00 0.00 64.34 63.81 1t03 n VAL 314 Cb 0.44 -0.58 -0.07 0.00 -0.91 0.00 0.00 33.84 32.73 1t03 n VAL 314 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1t03 n HIS 315 N -4.28 0.00 -3.01 3.52 -0.00 -1.26 -4.03 115.22 106.16 1t03 n HIS 315 Ca 0.01 -0.35 -0.02 0.00 0.46 0.00 0.00 57.72 57.83 1t03 n HIS 315 Cb 0.62 -0.61 0.00 0.00 -0.12 0.00 0.00 29.99 29.88 1t03 n HIS 315 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1t03 n GLY 316 N 4.33 -1.25 3.82 1.57 0.00 -1.26 -4.99 105.19 107.41 1t03 n GLY 316 Ca 0.26 0.64 -0.38 0.00 0.00 0.00 0.00 46.02 46.54 1t03 n GLY 316 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1t03 s VAL 317 N -2.91 4.78 0.01 1.61 1.01 -1.26 -5.08 120.40 118.56 1t03 s VAL 317 Ca 0.05 1.11 0.04 0.00 0.00 0.00 0.00 61.98 63.18 1t03 s VAL 317 Cb -0.02 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 1t03 s VAL 317 CO 0.75 0.48 -0.12 -0.72 0.00 0.00 0.00 175.10 175.50 1t03 s TYR 318 N -1.19 1.02 -0.27 5.22 -0.85 -1.26 -5.12 117.35 114.90 1t03 s TYR 318 Ca 0.31 -0.26 -0.10 0.00 -0.52 0.00 0.00 57.07 56.50 1t03 s TYR 318 Cb -0.18 -0.64 -0.04 0.00 0.38 0.00 0.00 41.96 41.48 1t03 s TYR 318 CO 0.19 -0.00 0.15 -0.47 -1.52 0.00 0.00 175.55 173.90 1t03 s TYR 319 N -0.52 3.18 -0.43 -3.49 5.04 -1.26 -5.01 117.35 114.85 1t03 s TYR 319 Ca 0.02 -0.04 -0.14 0.00 -2.44 0.00 0.00 57.07 54.47 1t03 s TYR 319 Cb -0.06 -2.34 0.05 0.00 0.35 0.00 0.00 41.96 39.97 1t03 s TYR 319 CO 0.00 -0.22 0.33 0.34 -1.34 0.00 0.00 175.55 174.66 1t03 s ASP 320 N 1.71 6.04 0.00 4.32 2.15 -1.26 -4.93 116.67 124.70 1t03 s ASP 320 Ca 0.07 -1.15 0.01 0.00 0.43 0.00 0.00 52.55 51.90 1t03 s ASP 320 Cb -0.16 -2.14 0.04 0.00 -0.30 0.00 0.00 42.92 40.36 1t03 s ASP 320 CO 0.09 -0.54 0.77 -0.81 -0.17 0.00 0.00 175.17 174.51 1t03 n PRO 321 N 5.14 0.01 0.06 4.34 -0.04 -1.26 -1.01 135.00 142.24 1t03 n PRO 321 Ca -0.12 0.23 0.07 0.00 -0.04 0.00 0.00 63.50 63.65 1t03 n PRO 321 Cb 0.45 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.35 1t03 n PRO 321 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1t03 n SER 322 N -1.24 0.67 -4.96 3.54 7.64 -1.26 -4.95 113.62 113.06 1t03 n SER 322 Ca 0.00 0.27 -0.22 0.00 1.01 0.00 0.00 58.87 59.93 1t03 n SER 322 Cb 0.00 0.67 0.03 0.00 -1.01 0.00 0.00 64.21 63.90 1t03 n SER 322 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1t03 s LYS 323 N -3.23 2.67 0.44 1.43 1.02 -0.18 -5.11 119.74 116.78 1t03 s LYS 323 Ca -0.03 -0.66 -0.07 0.00 0.02 0.00 0.00 55.97 55.23 1t03 s LYS 323 Cb 0.10 -2.49 0.10 0.00 -0.52 0.00 0.00 37.83 35.02 1t03 s LYS 323 CO 0.82 -0.63 0.60 -0.25 -0.92 0.00 0.00 175.35 174.97 1t03 n ASP 324 N -2.31 0.07 -3.94 2.83 9.92 -1.26 -4.97 116.55 116.89 1t03 n ASP 324 Ca 0.06 -1.23 -0.19 0.00 -0.53 0.00 0.00 54.79 52.90 1t03 n ASP 324 Cb 0.59 -0.45 -0.15 0.00 -0.64 0.00 0.00 41.12 40.46 1t03 n ASP 324 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1t03 s LEU 325 N 0.00 1.67 0.07 0.64 2.96 -1.26 -4.62 118.68 118.14 1t03 s LEU 325 Ca 0.34 -0.13 0.08 0.00 -0.22 0.00 0.00 54.13 54.20 1t03 s LEU 325 Cb -0.01 -0.41 -0.03 0.00 0.50 0.00 0.00 46.19 46.24 1t03 s LEU 325 CO 0.24 0.02 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.45 1t03 s ILE 326 N 0.37 1.71 -0.02 6.68 1.01 0.07 0.28 121.20 131.31 1t03 s ILE 326 Ca -0.05 -1.38 -0.01 0.00 0.00 0.00 0.00 60.65 59.21 1t03 s ILE 326 Cb -0.09 -1.52 0.01 0.00 0.01 0.00 0.00 42.46 40.87 1t03 s ILE 326 CO 0.00 0.07 0.03 0.00 0.00 0.00 0.00 174.94 175.05 1t03 s ALA 327 N -0.98 -0.02 0.05 9.38 0.00 -0.31 -0.12 121.76 129.76 1t03 s ALA 327 Ca 0.07 0.18 0.08 0.00 0.00 0.00 0.00 51.96 52.29 1t03 s ALA 327 Cb -0.09 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 1t03 s ALA 327 CO 0.03 -0.05 -0.22 -1.21 0.00 0.00 0.00 175.76 174.31 1t03 s GLU 328 N 0.42 1.92 -0.08 0.00 2.02 -0.40 -1.50 118.70 121.08 1t03 s GLU 328 Ca -0.03 -1.06 0.00 0.00 0.02 0.00 0.00 54.97 53.90 1t03 s GLU 328 Cb -0.05 -2.08 0.02 0.00 0.10 0.00 0.00 34.13 32.12 1t03 s GLU 328 CO -0.01 0.52 -0.07 0.42 0.02 0.00 0.00 175.26 176.14 1t03 s ILE 329 N -0.88 0.82 -0.16 -1.63 1.01 -1.25 -2.10 121.20 117.01 1t03 s ILE 329 Ca 0.13 -0.22 0.02 0.00 0.00 0.00 0.00 60.65 60.58 1t03 s ILE 329 Cb -0.10 -0.84 0.01 0.00 0.01 0.00 0.00 42.46 41.54 1t03 s ILE 329 CO 0.04 0.31 -0.21 0.00 0.00 0.00 0.00 174.94 175.09 1t03 s GLN 330 N 1.32 3.02 -0.52 2.79 0.00 -0.73 -4.14 119.66 121.41 1t03 s GLN 330 Ca -0.03 -0.84 -0.26 0.00 -0.00 0.00 0.00 55.36 54.23 1t03 s GLN 330 Cb -0.14 -2.51 -0.05 0.00 0.00 0.00 0.00 33.01 30.31 1t03 s GLN 330 CO -0.03 -0.10 2.21 0.21 0.00 0.00 0.00 175.29 177.58 1t03 s LYS 331 N 1.02 2.33 0.19 9.60 2.20 -1.26 -2.60 119.74 131.22 1t03 s LYS 331 Ca -0.02 1.17 -0.01 0.00 -0.36 0.00 0.00 55.97 56.76 1t03 s LYS 331 Cb -0.14 -4.50 0.10 0.00 -1.51 0.00 0.00 37.83 31.77 1t03 s LYS 331 CO -0.06 -3.03 1.47 0.37 -0.36 0.00 0.00 175.35 173.73 1t03 h GLN 332 N 17.78 0.41 0.00 4.03 5.75 -1.67 -3.49 115.11 137.91 1t03 h GLN 332 Ca -0.26 -0.31 0.00 0.00 -0.15 0.00 0.00 58.65 57.93 1t03 h GLN 332 Cb 1.23 0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.84 1t03 h GLN 332 CO 1.17 0.94 0.00 0.41 -2.65 0.00 0.00 178.83 178.70 1t03 n GLY 333 N 0.46 3.64 3.78 2.39 0.00 -1.04 -4.96 105.19 109.46 1t03 n GLY 333 Ca -0.04 -1.64 -0.26 0.00 0.00 0.00 0.00 46.02 44.08 1t03 n GLY 333 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1t03 n GLN 334 N -1.14 -2.93 0.00 1.61 1.13 -1.26 -1.80 117.38 113.00 1t03 n GLN 334 Ca 0.00 0.49 0.00 0.00 -1.94 0.00 0.00 57.00 55.55 1t03 n GLN 334 Cb 0.00 -4.57 0.00 0.00 0.11 0.00 0.00 30.24 25.78 1t03 n GLN 334 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1t03 n GLY 335 N -1.76 2.12 3.81 1.08 0.00 -1.26 -4.99 105.19 104.18 1t03 n GLY 335 Ca -0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 1t03 n GLY 335 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1t03 s GLN 336 N 0.00 4.30 0.03 1.61 -0.21 -0.75 -4.52 119.66 120.13 1t03 s GLN 336 Ca 0.00 0.96 -0.02 0.00 0.02 0.00 0.00 55.36 56.32 1t03 s GLN 336 Cb 0.00 -2.79 -0.02 0.00 1.00 0.00 0.00 33.01 31.20 1t03 s GLN 336 CO 0.00 0.33 0.01 -1.58 -2.12 0.00 0.00 175.29 171.93 1t03 s TRP 337 N -1.62 0.32 0.15 0.91 0.52 -1.04 -1.71 118.94 116.47 1t03 s TRP 337 Ca 0.46 -0.69 0.05 0.00 0.02 0.00 0.00 56.10 55.94 1t03 s TRP 337 Cb -0.16 -0.24 -0.04 0.00 -1.15 0.00 0.00 33.47 31.88 1t03 s TRP 337 CO 0.21 -0.31 -0.10 0.95 0.02 0.00 0.00 176.95 177.72 1t03 s THR 338 N -2.60 1.18 0.01 2.01 -4.23 -1.07 -2.35 115.64 108.57 1t03 s THR 338 Ca -0.05 -2.05 -0.19 0.00 -1.18 0.00 0.00 61.69 58.22 1t03 s THR 338 Cb -0.01 -1.84 0.04 0.00 1.34 0.00 0.00 72.50 72.02 1t03 s THR 338 CO -0.05 -0.74 0.41 -0.72 -0.54 0.00 0.00 174.62 172.98 1t03 s TYR 339 N -3.29 -0.28 0.01 3.99 -0.85 -0.85 -1.78 117.35 114.30 1t03 s TYR 339 Ca 0.16 0.37 0.03 0.00 -0.52 0.00 0.00 57.07 57.11 1t03 s TYR 339 Cb 0.02 0.19 -0.01 0.00 0.38 0.00 0.00 41.96 42.54 1t03 s TYR 339 CO 0.01 -0.50 -0.09 -0.65 -1.52 0.00 0.00 175.55 172.79 1t03 s GLN 340 N -1.83 0.68 -0.20 -3.49 1.11 -0.89 -1.24 119.66 113.79 1t03 s GLN 340 Ca -0.09 -0.45 0.01 0.00 0.01 0.00 0.00 55.36 54.84 1t03 s GLN 340 Cb -0.02 -0.63 0.03 0.00 -1.01 0.00 0.00 33.01 31.38 1t03 s GLN 340 CO 0.02 0.16 -0.17 0.42 0.01 0.00 0.00 175.29 175.73 1t03 s ILE 341 N -0.50 2.16 0.05 1.08 1.01 0.13 -1.28 121.20 123.85 1t03 s ILE 341 Ca 0.01 -1.07 -0.01 0.00 0.00 0.00 0.00 60.65 59.58 1t03 s ILE 341 Cb -0.05 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 1t03 s ILE 341 CO 0.00 0.41 -0.03 -0.72 0.00 0.00 0.00 174.94 174.60 1t03 s TYR 342 N 1.26 0.48 -0.20 3.97 -0.85 0.83 0.81 117.35 123.65 1t03 s TYR 342 Ca 0.02 -0.98 0.02 0.00 -0.52 0.00 0.00 57.07 55.61 1t03 s TYR 342 Cb -0.15 -0.36 -0.14 0.00 0.38 0.00 0.00 41.96 41.70 1t03 s TYR 342 CO -0.11 -0.35 -0.17 1.04 -1.52 0.00 0.00 175.55 174.44 1t03 n GLN 343 N 0.33 0.56 -4.40 -3.49 6.02 -1.26 -0.75 117.38 114.38 1t03 n GLN 343 Ca -0.15 0.11 -0.29 0.00 -0.01 0.00 0.00 57.00 56.65 1t03 n GLN 343 Cb 0.60 -1.41 -0.13 0.00 1.02 0.00 0.00 30.24 30.33 1t03 n GLN 343 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1t03 s GLU 344 N -2.41 1.50 0.17 -1.09 0.41 -1.26 -4.86 118.70 111.16 1t03 s GLU 344 Ca -0.26 -1.30 -0.33 0.00 -0.41 0.00 0.00 54.97 52.67 1t03 s GLU 344 Cb 0.07 -1.95 -0.12 0.00 -1.78 0.00 0.00 34.13 30.35 1t03 s GLU 344 CO 0.48 0.46 1.70 -2.30 -0.49 0.00 0.00 175.26 175.11 1t03 n PRO 345 N 0.94 2.56 -1.02 0.39 -0.02 -1.26 -2.29 135.00 134.30 1t03 n PRO 345 Ca -0.17 0.92 -0.01 0.00 -2.02 0.00 0.00 63.50 62.22 1t03 n PRO 345 Cb 0.53 -2.75 -0.00 0.00 -0.02 0.00 0.00 33.50 31.25 1t03 n PRO 345 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1t03 n PHE 346 N 4.16 0.00 -2.77 6.00 3.72 -1.26 -4.87 117.46 122.45 1t03 n PHE 346 Ca 0.17 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.29 1t03 n PHE 346 Cb 0.33 -1.21 -0.02 0.00 -0.94 0.00 0.00 39.48 37.64 1t03 n PHE 346 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1t03 n LYS 347 N -0.82 3.40 -1.56 -1.08 4.01 -0.97 -4.57 118.16 116.57 1t03 n LYS 347 Ca -0.01 -4.73 -0.41 0.00 -0.51 0.00 0.00 58.31 52.65 1t03 n LYS 347 Cb 0.29 -2.25 0.01 0.00 -0.51 0.00 0.00 35.03 32.57 1t03 n LYS 347 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1t03 n ASN 348 N -0.31 0.53 -0.03 4.39 3.02 -1.26 -4.42 115.26 117.17 1t03 n ASN 348 Ca 0.35 0.99 0.04 0.00 -0.03 0.00 0.00 54.58 55.92 1t03 n ASN 348 Cb 0.46 -1.27 -0.15 0.00 -0.61 0.00 0.00 39.78 38.21 1t03 n ASN 348 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1t03 n LEU 349 N 0.71 0.00 -3.63 3.41 4.77 0.24 -4.95 117.00 117.54 1t03 n LEU 349 Ca 0.10 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.99 1t03 n LEU 349 Cb 0.39 0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 41.55 1t03 n LEU 349 CO 0.56 0.14 0.73 -0.75 -1.33 0.00 0.00 177.39 176.74 1t03 s LYS 350 N -3.05 0.52 0.00 3.23 2.20 -0.89 -4.96 119.74 116.79 1t03 s LYS 350 Ca -0.08 0.59 0.04 0.00 -0.36 0.00 0.00 55.97 56.16 1t03 s LYS 350 Cb 0.10 0.25 -0.01 0.00 -1.51 0.00 0.00 37.83 36.66 1t03 s LYS 350 CO 0.78 -0.07 -0.12 0.95 -0.36 0.00 0.00 175.35 176.52 1t03 s THR 351 N 0.17 0.98 0.17 3.43 -4.23 -1.26 0.23 115.64 115.13 1t03 s THR 351 Ca 0.03 -0.62 -0.07 0.00 -1.18 0.00 0.00 61.69 59.84 1t03 s THR 351 Cb -0.05 -0.84 0.03 0.00 1.34 0.00 0.00 72.50 72.99 1t03 s THR 351 CO -0.06 0.21 0.39 0.61 -0.54 0.00 0.00 174.62 175.23 1t03 n GLY 352 N 2.59 1.43 2.72 3.99 0.00 -0.37 -1.25 105.19 114.29 1t03 n GLY 352 Ca -0.15 -1.11 -0.19 0.00 0.00 0.00 0.00 46.02 44.57 1t03 n GLY 352 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t03 s LYS 353 N -2.04 0.26 -0.25 1.61 -2.85 -1.26 -2.00 119.74 113.20 1t03 s LYS 353 Ca 0.08 -0.08 -0.29 0.00 -1.00 0.00 0.00 55.97 54.69 1t03 s LYS 353 Cb -0.02 -0.92 -0.03 0.00 -2.06 0.00 0.00 37.83 34.80 1t03 s LYS 353 CO 0.05 -0.90 1.75 -0.47 0.10 0.00 0.00 175.35 175.89 1t03 s TYR 354 N 2.31 1.87 0.00 1.78 5.04 -0.99 -4.92 117.35 122.44 1t03 s TYR 354 Ca 0.09 0.53 0.00 0.00 -2.44 0.00 0.00 57.07 55.24 1t03 s TYR 354 Cb -0.15 -4.06 0.00 0.00 0.35 0.00 0.00 41.96 38.10 1t03 s TYR 354 CO -0.26 -3.15 0.00 0.00 -1.34 0.00 0.00 175.55 170.79 1t03 n ALA 355 N 9.41 0.00 -3.65 3.97 0.00 -1.26 -2.51 120.51 126.47 1t03 n ALA 355 Ca 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.63 1t03 n ALA 355 Cb 0.46 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.85 1t03 n ALA 355 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1t03 s ARG 356 N 0.00 0.04 -0.16 0.00 3.52 -1.26 -4.09 118.95 117.00 1t03 s ARG 356 Ca 0.00 0.02 -0.14 0.00 -0.13 0.00 0.00 55.73 55.48 1t03 s ARG 356 Cb 0.00 0.02 -0.05 0.00 -1.56 0.00 0.00 34.95 33.36 1t03 s ARG 356 CO 0.00 -0.01 0.31 -1.64 -0.81 0.00 0.00 175.30 173.15 1t03 s MET 357 N -0.59 4.27 0.15 5.12 -1.94 -1.26 -4.93 119.30 120.12 1t03 s MET 357 Ca 0.09 0.13 0.05 0.00 -1.71 0.00 0.00 55.69 54.25 1t03 s MET 357 Cb -0.03 -3.43 0.29 0.00 2.01 0.00 0.00 34.83 33.68 1t03 s MET 357 CO -0.12 0.22 0.98 -2.13 -0.01 0.00 0.00 175.02 173.97 1t03 n ARG 358 N 3.61 0.04 -1.19 2.03 0.63 -1.26 -0.44 116.66 120.08 1t03 n ARG 358 Ca -0.11 0.40 -0.27 0.00 -0.92 0.00 0.00 57.85 56.94 1t03 n ARG 358 Cb 0.52 -1.90 0.11 0.00 0.45 0.00 0.00 32.46 31.64 1t03 n ARG 358 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1t03 n GLY 359 N -1.27 5.00 0.19 5.14 0.00 -1.26 -4.44 105.19 108.55 1t03 n GLY 359 Ca -0.00 -1.61 0.13 0.00 0.00 0.00 0.00 46.02 44.54 1t03 n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t03 h ALA 360 N 1.55 1.00 -2.64 4.61 0.00 -1.15 -3.47 119.26 119.16 1t03 h ALA 360 Ca 0.56 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.32 1t03 h ALA 360 Cb 1.64 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.39 1t03 h ALA 360 CO 1.26 0.00 -0.16 0.72 0.00 0.00 0.00 179.25 181.07 1t03 n HIS 361 N -2.80 -1.02 -3.67 0.00 8.25 -1.26 -0.29 115.22 114.42 1t03 n HIS 361 Ca 0.04 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.29 1t03 n HIS 361 Cb 0.43 -1.96 0.04 0.00 1.12 0.00 0.00 29.99 29.62 1t03 n HIS 361 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1t03 n THR 362 N -2.08 -4.62 -3.74 1.59 -2.24 -1.26 -4.97 114.28 96.95 1t03 n THR 362 Ca -0.08 -0.50 -0.30 0.00 -2.27 0.00 0.00 64.05 60.91 1t03 n THR 362 Cb 0.37 -3.91 -0.15 0.00 -2.10 0.00 0.00 70.33 64.55 1t03 n THR 362 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1t03 s ASN 363 N -4.36 3.97 0.25 3.42 3.04 0.60 -5.00 114.94 116.86 1t03 s ASN 363 Ca 0.01 -1.88 -0.03 0.00 0.04 0.00 0.00 52.86 51.00 1t03 s ASN 363 Cb -0.00 -0.93 0.51 0.00 -1.54 0.00 0.00 41.25 39.29 1t03 s ASN 363 CO 0.80 -0.38 1.70 0.44 -3.04 0.00 0.00 177.10 176.63 1t03 h ASP 364 N 7.76 0.18 0.20 -4.21 5.19 -1.93 0.64 116.42 124.25 1t03 h ASP 364 Ca -0.10 0.13 -0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1t03 h ASP 364 Cb 1.00 0.14 -0.02 0.00 0.18 0.00 0.00 39.33 40.63 1t03 h ASP 364 CO 0.47 0.02 -0.27 0.58 -3.12 0.00 0.00 179.24 176.92 1t03 h VAL 365 N 0.36 0.00 -0.65 -1.35 2.07 -1.96 1.24 116.25 115.96 1t03 h VAL 365 Ca 0.44 0.00 0.14 0.00 0.82 0.00 0.00 66.70 68.10 1t03 h VAL 365 Cb 0.75 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.41 1t03 h VAL 365 CO -0.47 0.00 -0.01 0.50 0.02 0.00 0.00 177.57 177.61 1t03 h LYS 366 N -0.49 0.11 -0.20 1.57 3.64 -1.62 -0.39 116.57 119.19 1t03 h LYS 366 Ca -0.02 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1t03 h LYS 366 Cb 0.45 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1t03 h LYS 366 CO -0.07 0.07 0.12 1.96 -2.27 0.00 0.00 179.45 179.26 1t03 h GLN 367 N 0.11 0.28 0.13 1.90 4.20 0.96 -2.22 115.11 120.46 1t03 h GLN 367 Ca 0.34 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 59.05 1t03 h GLN 367 Cb 0.57 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.26 1t03 h GLN 367 CO -0.57 0.22 -0.26 1.25 -0.67 0.00 0.00 178.83 178.81 1t03 h LEU 368 N 0.25 -0.73 -0.24 1.46 5.85 0.31 0.15 115.31 122.36 1t03 h LEU 368 Ca 0.07 0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.93 1t03 h LEU 368 Cb 0.02 0.28 -0.08 0.00 0.37 0.00 0.00 40.66 41.25 1t03 h LEU 368 CO -0.01 -0.35 -0.37 0.71 -0.34 0.00 0.00 178.44 178.07 1t03 h THR 369 N -0.47 0.20 -0.99 1.05 1.35 -1.18 0.58 112.91 113.44 1t03 h THR 369 Ca 0.03 0.00 0.21 0.00 -0.55 0.00 0.00 66.41 66.10 1t03 h THR 369 Cb 0.49 0.20 -0.10 0.00 -1.73 0.00 0.00 68.15 67.01 1t03 h THR 369 CO -0.14 0.00 0.62 -0.33 -0.25 0.00 0.00 175.52 175.42 1t03 h GLU 370 N -0.38 0.60 -0.49 4.72 5.08 -0.79 0.50 114.58 123.82 1t03 h GLU 370 Ca 0.11 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.33 1t03 h GLU 370 Cb 0.58 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1t03 h GLU 370 CO -0.45 0.40 -0.13 0.00 -1.00 0.00 0.00 179.01 177.84 1t03 h ALA 371 N 1.64 0.67 0.87 3.43 0.00 0.25 0.28 119.26 126.41 1t03 h ALA 371 Ca 0.57 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1t03 h ALA 371 Cb 1.08 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1t03 h ALA 371 CO -0.34 0.59 -0.46 0.28 0.00 0.00 0.00 179.25 179.32 1t03 h VAL 372 N 0.80 0.00 -0.21 0.00 2.07 0.43 0.31 116.25 119.65 1t03 h VAL 372 Ca 0.12 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.68 1t03 h VAL 372 Cb 0.69 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.39 1t03 h VAL 372 CO 0.05 0.00 -0.50 1.56 0.02 0.00 0.00 177.57 178.70 1t03 h GLN 373 N -1.23 -0.45 -0.31 1.57 4.20 -0.22 0.70 115.11 119.38 1t03 h GLN 373 Ca -0.12 0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.67 1t03 h GLN 373 Cb 0.95 0.10 -0.08 0.00 0.30 0.00 0.00 27.48 28.76 1t03 h GLN 373 CO 0.17 -0.30 -0.51 -0.22 -0.67 0.00 0.00 178.83 177.30 1t03 h LYS 374 N -0.47 -0.42 -0.44 1.46 1.63 -0.34 0.33 116.57 118.32 1t03 h LYS 374 Ca 0.04 0.03 0.09 0.00 -0.85 0.00 0.00 60.65 59.96 1t03 h LYS 374 Cb 0.59 0.10 -0.09 0.00 -0.60 0.00 0.00 32.23 32.23 1t03 h LYS 374 CO -0.45 -0.28 -0.13 0.82 -3.45 0.00 0.00 179.45 175.96 1t03 h ILE 375 N -0.44 0.52 0.09 2.00 2.04 0.32 -1.53 117.51 120.51 1t03 h ILE 375 Ca 0.08 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.96 1t03 h ILE 375 Cb 0.62 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 1t03 h ILE 375 CO -0.53 0.00 -0.44 0.74 0.00 0.00 0.00 178.15 177.92 1t03 h THR 376 N -0.03 0.12 -0.73 -0.27 2.02 0.26 -1.73 112.91 112.55 1t03 h THR 376 Ca 0.21 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.54 1t03 h THR 376 Cb 0.35 0.12 -0.14 0.00 -1.74 0.00 0.00 68.15 66.75 1t03 h THR 376 CO -0.47 0.00 -0.15 0.74 0.37 0.00 0.00 175.52 176.01 1t03 h THR 377 N -0.66 0.29 -0.80 3.16 2.02 0.33 0.39 112.91 117.64 1t03 h THR 377 Ca 0.02 -0.01 0.11 0.00 0.77 0.00 0.00 66.41 67.30 1t03 h THR 377 Cb 0.69 0.27 -0.08 0.00 -1.74 0.00 0.00 68.15 67.30 1t03 h THR 377 CO -0.27 0.00 0.43 -0.33 0.37 0.00 0.00 175.52 175.72 1t03 h GLU 378 N 0.02 0.67 -0.55 6.66 5.08 -0.46 -2.21 114.58 123.78 1t03 h GLU 378 Ca 0.36 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.70 1t03 h GLU 378 Cb 0.56 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 1t03 h GLU 378 CO -0.73 0.44 0.34 0.77 -1.00 0.00 0.00 179.01 178.84 1t03 h SER 379 N 0.69 0.57 -0.27 1.42 0.02 0.47 0.10 113.55 116.55 1t03 h SER 379 Ca 0.40 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 1t03 h SER 379 Cb 0.44 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 1t03 h SER 379 CO -0.28 0.40 0.17 0.40 -1.14 0.00 0.00 176.83 176.38 1t03 h ILE 380 N 0.68 1.06 0.77 3.27 2.04 -0.80 0.27 117.51 124.81 1t03 h ILE 380 Ca 0.22 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.92 1t03 h ILE 380 Cb -0.01 0.67 0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1t03 h ILE 380 CO -0.08 0.07 -0.37 0.58 0.00 0.00 0.00 178.15 178.35 1t03 h VAL 381 N 0.36 0.00 0.35 1.67 2.07 -1.16 -0.02 116.25 119.52 1t03 h VAL 381 Ca 0.10 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 1t03 h VAL 381 Cb -0.03 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.73 1t03 h VAL 381 CO -0.03 0.00 -0.22 0.40 0.02 0.00 0.00 177.57 177.74 1t03 h ILE 382 N -1.05 0.54 0.00 4.57 2.04 -0.69 -3.37 117.51 119.54 1t03 h ILE 382 Ca -0.11 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1t03 h ILE 382 Cb 0.79 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1t03 h ILE 382 CO 0.17 0.00 -1.34 0.79 0.00 0.00 0.00 178.15 177.77 1t03 n TRP 383 N -5.35 0.00 -2.23 1.37 8.01 0.72 -4.94 117.44 115.03 1t03 n TRP 383 Ca -0.10 0.00 -0.03 0.00 -1.31 0.00 0.00 57.50 56.06 1t03 n TRP 383 Cb 0.26 -0.18 0.02 0.00 -2.01 0.00 0.00 31.31 29.39 1t03 n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1t03 n GLY 384 N 2.14 0.31 3.53 6.99 0.00 0.13 -4.97 105.19 113.32 1t03 n GLY 384 Ca -0.02 -0.35 -0.15 0.00 0.00 0.00 0.00 46.02 45.50 1t03 n GLY 384 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1t03 s LYS 385 N -4.16 0.93 -0.10 1.61 2.20 -1.23 -4.93 119.74 114.05 1t03 s LYS 385 Ca 0.01 0.16 -0.13 0.00 -0.36 0.00 0.00 55.97 55.65 1t03 s LYS 385 Cb -0.00 0.44 -0.05 0.00 -1.51 0.00 0.00 37.83 36.71 1t03 s LYS 385 CO 0.14 -0.30 0.30 0.99 -0.36 0.00 0.00 175.35 176.12 1t03 s THR 386 N -1.39 5.26 0.32 3.43 2.01 -1.26 -3.85 115.64 120.16 1t03 s THR 386 Ca -0.07 0.59 -0.11 0.00 0.31 0.00 0.00 61.69 62.40 1t03 s THR 386 Cb -0.00 -3.62 -0.07 0.00 0.01 0.00 0.00 72.50 68.82 1t03 s THR 386 CO 0.06 0.49 0.69 -2.16 -0.69 0.00 0.00 174.62 173.00 1t03 s PRO 387 N -0.26 3.85 0.12 4.92 0.04 -1.26 -4.49 135.00 137.92 1t03 s PRO 387 Ca 0.19 0.45 -0.28 0.00 0.04 0.00 0.00 61.00 61.39 1t03 s PRO 387 Cb -0.14 -2.49 -0.06 0.00 0.04 0.00 0.00 34.50 31.85 1t03 s PRO 387 CO 0.07 0.14 0.88 0.21 0.04 0.00 0.00 177.00 178.34 1t03 s LYS 388 N -3.28 4.65 -0.17 4.56 2.20 0.81 -4.39 119.74 124.12 1t03 s LYS 388 Ca 0.51 1.31 -0.06 0.00 -0.36 0.00 0.00 55.97 57.37 1t03 s LYS 388 Cb -0.10 -3.34 -0.04 0.00 -1.51 0.00 0.00 37.83 32.84 1t03 s LYS 388 CO 0.24 0.33 0.04 -0.06 -0.36 0.00 0.00 175.35 175.54 1t03 s PHE 389 N -0.35 3.20 -0.82 4.03 0.40 0.27 -1.16 117.98 123.56 1t03 s PHE 389 Ca 0.42 0.01 -0.16 0.00 -0.60 0.00 0.00 56.93 56.60 1t03 s PHE 389 Cb -0.23 -2.03 0.17 0.00 0.51 0.00 0.00 43.02 41.44 1t03 s PHE 389 CO 0.28 0.14 0.86 0.15 0.70 0.00 0.00 175.22 177.35 1t03 s LYS 390 N 0.28 3.51 -0.49 0.44 1.02 -0.56 -0.89 119.74 123.05 1t03 s LYS 390 Ca 0.02 -2.06 -0.29 0.00 0.02 0.00 0.00 55.97 53.66 1t03 s LYS 390 Cb -0.13 -4.56 0.02 0.00 -0.52 0.00 0.00 37.83 32.65 1t03 s LYS 390 CO 0.01 -1.48 1.23 -0.51 -0.92 0.00 0.00 175.35 173.68 1t03 s LEU 391 N 1.35 3.57 -0.25 3.17 1.43 0.52 -3.94 118.68 124.54 1t03 s LEU 391 Ca 0.21 0.47 -0.04 0.00 -1.03 0.00 0.00 54.13 53.74 1t03 s LEU 391 Cb -0.11 -3.45 -0.04 0.00 0.03 0.00 0.00 46.19 42.61 1t03 s LEU 391 CO -0.07 -1.37 1.35 -0.81 0.23 0.00 0.00 176.35 175.68 1t03 n PRO 392 N 8.06 0.57 -3.62 1.29 -0.04 -1.26 -3.12 135.00 136.89 1t03 n PRO 392 Ca 0.12 -0.81 -0.10 0.00 -0.04 0.00 0.00 63.50 62.68 1t03 n PRO 392 Cb 0.49 -2.17 -0.02 0.00 -0.04 0.00 0.00 33.50 31.76 1t03 n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1t03 s ILE 393 N 4.73 0.00 -0.23 0.52 2.07 -1.26 -4.93 121.20 122.11 1t03 s ILE 393 Ca 0.16 -0.43 -0.25 0.00 -1.41 0.00 0.00 60.65 58.72 1t03 s ILE 393 Cb 0.04 -1.44 -0.01 0.00 0.13 0.00 0.00 42.46 41.18 1t03 s ILE 393 CO 0.02 0.00 0.83 -1.10 -1.91 0.00 0.00 174.94 172.78 1t03 s GLN 394 N -3.78 4.21 0.08 3.50 -1.52 -1.26 -4.30 119.66 116.59 1t03 s GLN 394 Ca 0.06 0.97 -0.16 0.00 -1.95 0.00 0.00 55.36 54.27 1t03 s GLN 394 Cb -0.03 -3.63 -0.04 0.00 -0.22 0.00 0.00 33.01 29.09 1t03 s GLN 394 CO -0.04 -0.48 1.01 1.17 -0.25 0.00 0.00 175.29 176.70 1t03 n LYS 395 N 5.84 -0.23 -0.52 2.91 4.81 -1.26 0.94 118.16 130.65 1t03 n LYS 395 Ca 0.05 0.99 0.44 0.00 -0.87 0.00 0.00 58.31 58.92 1t03 n LYS 395 Cb 0.48 -1.46 0.77 0.00 0.02 0.00 0.00 35.03 34.83 1t03 n LYS 395 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1t03 h GLU 396 N 0.00 0.02 0.00 1.64 4.39 -1.98 0.23 114.58 118.88 1t03 h GLU 396 Ca 0.08 -0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.71 1t03 h GLU 396 Cb 0.21 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1t03 h GLU 396 CO -0.49 0.01 -0.48 1.15 -1.16 0.00 0.00 179.01 178.05 1t03 h THR 397 N 0.02 0.85 -0.87 1.13 2.02 0.17 -3.25 112.91 112.98 1t03 h THR 397 Ca 0.77 -1.79 0.14 0.00 0.77 0.00 0.00 66.41 66.29 1t03 h THR 397 Cb 2.99 1.76 -0.07 0.00 -1.74 0.00 0.00 68.15 71.10 1t03 h THR 397 CO -0.06 0.29 0.56 -0.25 0.37 0.00 0.00 175.52 176.43 1t03 h TRP 398 N -1.00 0.79 0.00 3.16 2.91 -0.53 0.39 115.95 121.67 1t03 h TRP 398 Ca -0.11 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 59.92 1t03 h TRP 398 Cb 0.81 -0.25 -0.00 0.00 -0.51 0.00 0.00 29.16 29.21 1t03 h TRP 398 CO 0.08 0.31 -0.05 0.93 -1.03 0.00 0.00 178.44 178.68 1t03 h GLU 399 N 0.68 0.00 0.00 2.65 5.08 -0.76 -1.29 114.58 120.94 1t03 h GLU 399 Ca 0.43 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.62 1t03 h GLU 399 Cb 0.68 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1t03 h GLU 399 CO -0.19 0.05 -0.79 1.15 -1.00 0.00 0.00 179.01 178.23 1t03 h THR 400 N 0.00 1.43 0.00 1.13 2.02 -0.25 -3.41 112.91 113.83 1t03 h THR 400 Ca -0.00 -2.82 0.00 0.00 0.77 0.00 0.00 66.41 64.36 1t03 h THR 400 Cb 0.56 2.58 0.00 0.00 -1.74 0.00 0.00 68.15 69.56 1t03 h THR 400 CO 0.01 0.77 0.00 0.79 0.37 0.00 0.00 175.52 177.46 1t03 n TRP 401 N -3.40 0.00 -0.03 3.16 7.02 -1.16 -4.86 117.44 118.17 1t03 n TRP 401 Ca 0.00 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.62 1t03 n TRP 401 Cb 0.81 0.01 0.56 0.00 -2.42 0.00 0.00 31.31 30.28 1t03 n TRP 401 CO 0.00 0.00 0.00 0.11 -2.02 0.00 0.00 177.69 175.78 1t03 h TRP 402 N 0.00 0.28 0.51 -5.99 5.08 -1.47 -2.59 115.95 111.77 1t03 h TRP 402 Ca 0.00 0.01 -0.02 0.00 1.08 0.00 0.00 58.89 59.95 1t03 h TRP 402 Cb 0.92 -0.09 0.00 0.00 -3.00 0.00 0.00 29.16 26.99 1t03 h TRP 402 CO 0.00 0.13 -0.24 1.79 -1.28 0.00 0.00 178.44 178.84 1t03 h THR 403 N 0.27 0.43 -0.82 0.12 1.35 -1.89 -2.79 112.91 109.57 1t03 h THR 403 Ca 0.25 -0.32 0.34 0.00 -0.55 0.00 0.00 66.41 66.13 1t03 h THR 403 Cb 0.62 0.55 -0.14 0.00 -1.73 0.00 0.00 68.15 67.46 1t03 h THR 403 CO -0.05 0.05 0.45 -0.62 -0.25 0.00 0.00 175.52 175.10 1t03 n GLU 404 N -5.30 -0.05 -0.05 4.72 -0.58 -0.98 0.13 120.64 118.53 1t03 n GLU 404 Ca -0.11 1.09 0.10 0.00 -0.42 0.00 0.00 57.16 57.82 1t03 n GLU 404 Cb 0.32 -1.97 0.12 0.00 -0.57 0.00 0.00 31.44 29.33 1t03 n GLU 404 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1t03 n TYR 405 N -4.76 0.13 -2.67 -0.32 4.01 -1.21 -4.97 117.16 107.37 1t03 n TYR 405 Ca 0.30 -0.08 -0.37 0.00 -0.16 0.00 0.00 57.90 57.60 1t03 n TYR 405 Cb 1.04 -0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 40.02 1t03 n TYR 405 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 1t03 s TRP 406 N -1.62 3.48 -0.41 -0.72 -0.11 0.35 -4.80 118.94 115.10 1t03 s TRP 406 Ca 0.27 1.71 0.09 0.00 1.22 0.00 0.00 56.10 59.39 1t03 s TRP 406 Cb 0.18 -3.02 0.34 0.00 -1.50 0.00 0.00 33.47 29.48 1t03 s TRP 406 CO 0.27 -0.20 0.97 0.94 -4.62 0.00 0.00 176.95 174.31 1t03 n GLN 407 N 0.24 1.02 -3.93 5.86 -0.06 -1.26 -4.92 117.38 114.33 1t03 n GLN 407 Ca 0.03 -2.58 -0.10 0.00 -2.00 0.00 0.00 57.00 52.36 1t03 n GLN 407 Cb 0.50 -1.25 -0.10 0.00 -4.06 0.00 0.00 30.24 25.33 1t03 n GLN 407 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1t03 s ALA 408 N -1.00 -0.09 0.26 1.69 0.00 -1.26 -5.02 121.76 116.33 1t03 s ALA 408 Ca 0.29 -0.46 0.11 0.00 0.00 0.00 0.00 51.96 51.90 1t03 s ALA 408 Cb 0.33 0.19 0.36 0.00 0.00 0.00 0.00 23.12 24.00 1t03 s ALA 408 CO -0.06 -0.26 1.61 1.79 0.00 0.00 0.00 175.76 178.84 1t03 h THR 409 N 3.98 1.41 -0.82 0.00 1.35 -1.99 -3.45 112.91 113.39 1t03 h THR 409 Ca -0.32 -2.13 -0.53 0.00 -0.55 0.00 0.00 66.41 62.88 1t03 h THR 409 Cb 1.19 2.16 -0.02 0.00 -1.73 0.00 0.00 68.15 69.74 1t03 h THR 409 CO 0.47 0.60 -0.25 -1.66 -0.25 0.00 0.00 175.52 174.43 1t03 s TRP 410 N -3.58 1.77 -0.08 4.73 -0.00 -1.26 -4.80 118.94 115.73 1t03 s TRP 410 Ca -0.01 -0.74 -0.03 0.00 -0.00 0.00 0.00 56.10 55.32 1t03 s TRP 410 Cb 0.12 -2.06 0.04 0.00 -0.00 0.00 0.00 33.47 31.57 1t03 s TRP 410 CO 0.76 -0.63 0.17 0.42 -0.00 0.00 0.00 176.95 177.67 1t03 s ILE 411 N -2.68 -0.08 0.55 0.66 1.01 -1.26 -5.04 121.20 114.37 1t03 s ILE 411 Ca 0.46 0.20 -0.06 0.00 0.00 0.00 0.00 60.65 61.24 1t03 s ILE 411 Cb -0.04 -0.28 -0.01 0.00 0.01 0.00 0.00 42.46 42.14 1t03 s ILE 411 CO 0.28 0.08 0.87 -2.16 0.00 0.00 0.00 174.94 174.01 1t03 s PRO 412 N 1.35 3.17 -0.01 2.79 0.04 -1.26 -4.95 135.00 136.13 1t03 s PRO 412 Ca -0.08 0.10 -0.21 0.00 0.04 0.00 0.00 61.00 60.86 1t03 s PRO 412 Cb -0.11 -2.30 -0.05 0.00 0.04 0.00 0.00 34.50 32.08 1t03 s PRO 412 CO -0.07 -0.52 0.60 -1.21 0.04 0.00 0.00 177.00 175.85 1t03 s GLU 413 N -4.91 4.33 0.21 4.56 2.02 -1.26 -5.00 118.70 118.64 1t03 s GLU 413 Ca 0.52 0.74 -0.00 0.00 0.02 0.00 0.00 54.97 56.24 1t03 s GLU 413 Cb -0.10 -3.35 -0.04 0.00 0.10 0.00 0.00 34.13 30.73 1t03 s GLU 413 CO 0.45 0.35 0.11 1.67 0.02 0.00 0.00 175.26 177.87 1t03 s TRP 414 N -0.12 1.26 0.22 1.61 -2.14 -1.26 -0.56 118.94 117.93 1t03 s TRP 414 Ca 0.31 -1.30 -0.11 0.00 2.66 0.00 0.00 56.10 57.67 1t03 s TRP 414 Cb -0.18 -0.66 -0.01 0.00 -3.10 0.00 0.00 33.47 29.52 1t03 s TRP 414 CO 0.17 -0.53 0.39 -1.83 -2.66 0.00 0.00 176.95 172.49 1t03 s GLU 415 N -4.11 1.39 0.14 3.25 -1.05 -0.07 -4.90 118.70 113.36 1t03 s GLU 415 Ca 0.37 -1.26 0.06 0.00 -0.15 0.00 0.00 54.97 54.00 1t03 s GLU 415 Cb 0.07 0.42 -0.04 0.00 -0.44 0.00 0.00 34.13 34.15 1t03 s GLU 415 CO 0.12 -0.55 0.00 -0.06 0.95 0.00 0.00 175.26 175.72 1t03 s PHE 416 N -4.01 2.90 -0.12 4.83 0.08 -1.26 -0.35 117.98 120.04 1t03 s PHE 416 Ca 0.22 -0.10 -0.07 0.00 0.12 0.00 0.00 56.93 57.11 1t03 s PHE 416 Cb 0.01 -1.44 0.05 0.00 -0.57 0.00 0.00 43.02 41.07 1t03 s PHE 416 CO 0.06 0.50 0.28 0.14 -0.10 0.00 0.00 175.22 176.11 1t03 s VAL 417 N -1.57 -0.03 -0.74 -0.44 -7.23 -1.18 -4.87 120.40 104.33 1t03 s VAL 417 Ca 0.27 0.12 0.04 0.00 -1.81 0.00 0.00 61.98 60.59 1t03 s VAL 417 Cb -0.10 -0.43 0.27 0.00 0.56 0.00 0.00 36.38 36.68 1t03 s VAL 417 CO 0.18 0.05 0.95 -3.20 -0.31 0.00 0.00 175.10 172.78 1t03 n ASN 418 N 4.06 4.51 -4.28 4.85 4.05 -1.26 -4.11 115.26 123.08 1t03 n ASN 418 Ca -0.23 -3.47 -0.40 0.00 0.45 0.00 0.00 54.58 50.92 1t03 n ASN 418 Cb 0.54 -0.80 -0.10 0.00 1.23 0.00 0.00 39.78 40.65 1t03 n ASN 418 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 1t03 s THR 419 N -2.79 4.25 1.17 -0.44 -1.32 -1.26 -5.09 115.64 110.16 1t03 s THR 419 Ca 0.39 -1.32 -0.16 0.00 -1.21 0.00 0.00 61.69 59.39 1t03 s THR 419 Cb 0.14 -3.57 0.22 0.00 -1.51 0.00 0.00 72.50 67.78 1t03 s THR 419 CO 0.00 -0.46 0.55 -2.65 -2.21 0.00 0.00 174.62 169.85 1t03 n PRO 420 N 4.92 -2.23 -1.46 7.08 -0.02 -1.26 -4.76 135.00 137.28 1t03 n PRO 420 Ca -0.10 -0.63 -0.16 0.00 -2.02 0.00 0.00 63.50 60.58 1t03 n PRO 420 Cb 0.43 -1.95 -0.12 0.00 -0.02 0.00 0.00 33.50 31.85 1t03 n PRO 420 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1t03 n PRO 421 N -3.73 0.08 0.00 0.52 -0.04 -1.26 -4.79 135.00 125.78 1t03 n PRO 421 Ca 0.01 -1.59 0.00 0.00 -0.04 0.00 0.00 63.50 61.89 1t03 n PRO 421 Cb 0.58 -3.72 0.00 0.00 -0.04 0.00 0.00 33.50 30.32 1t03 n PRO 421 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1t03 n LEU 422 N 18.56 0.00 -3.84 1.53 4.77 -1.26 -4.74 117.00 132.02 1t03 n LEU 422 Ca 0.40 0.75 -0.11 0.00 -0.03 0.00 0.00 56.01 57.02 1t03 n LEU 422 Cb 0.47 -0.25 -0.09 0.00 -2.33 0.00 0.00 43.42 41.22 1t03 n LEU 422 CO 0.64 -0.25 -0.09 -0.69 -1.33 0.00 0.00 177.39 175.68 1t03 s VAL 423 N -1.98 0.10 0.00 4.08 1.01 -1.26 -4.98 120.40 117.36 1t03 s VAL 423 Ca 0.00 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 1t03 s VAL 423 Cb 0.00 -0.83 -0.01 0.00 0.00 0.00 0.00 36.38 35.54 1t03 s VAL 423 CO 0.00 -0.46 0.86 0.29 0.00 0.00 0.00 175.10 175.80 1t03 n LYS 424 N 0.82 0.43 -0.30 2.72 4.76 -1.26 -4.35 118.16 120.97 1t03 n LYS 424 Ca -0.20 -0.03 -0.05 0.00 -2.87 0.00 0.00 58.31 55.16 1t03 n LYS 424 Cb 0.58 -1.34 -0.01 0.00 -1.84 0.00 0.00 35.03 32.43 1t03 n LYS 424 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1t03 h LEU 425 N 3.77 -1.52 -8.03 -0.35 5.85 -1.97 -3.02 115.31 110.05 1t03 h LEU 425 Ca 0.01 0.28 -0.69 0.00 0.84 0.00 0.00 57.88 58.31 1t03 h LEU 425 Cb 0.41 0.73 -0.18 0.00 0.37 0.00 0.00 40.66 41.99 1t03 h LEU 425 CO 0.03 -0.30 0.63 0.26 -0.34 0.00 0.00 178.44 178.72 1t03 s TRP 426 N -5.86 3.10 -0.03 1.25 0.52 -1.26 -4.80 118.94 111.86 1t03 s TRP 426 Ca -0.14 -1.26 -0.40 0.00 0.02 0.00 0.00 56.10 54.32 1t03 s TRP 426 Cb 0.16 -4.21 -0.19 0.00 -1.15 0.00 0.00 33.47 28.08 1t03 s TRP 426 CO 0.68 -1.44 1.16 0.98 0.02 0.00 0.00 176.95 178.34 1t03 n TYR 427 N 6.45 0.86 -4.23 -1.98 9.36 -1.14 -5.04 117.16 121.44 1t03 n TYR 427 Ca 0.14 1.00 -0.31 0.00 3.32 0.00 0.00 57.90 62.06 1t03 n TYR 427 Cb 0.47 -2.14 -0.16 0.00 -0.63 0.00 0.00 39.34 36.88 1t03 n TYR 427 CO 0.00 0.00 0.00 -1.14 0.22 0.00 0.00 176.86 175.94 1t03 s GLN 428 N 0.34 2.55 0.00 2.98 0.74 -1.26 -5.04 119.66 119.96 1t03 s GLN 428 Ca 0.91 -0.67 0.00 0.00 0.05 0.00 0.00 55.36 55.66 1t03 s GLN 428 Cb -1.24 -2.22 0.00 0.00 1.10 0.00 0.00 33.01 30.65 1t03 s GLN 428 CO 0.58 -0.16 0.00 -0.11 -0.55 0.00 0.00 175.29 175.04