#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t69 s VAL 15 N 0.00 4.98 0.47 1.96 0.11 -1.26 -4.74 120.40 121.91 1t69 s VAL 15 Ca 0.00 -0.39 -0.25 0.00 -2.93 0.00 0.00 61.98 58.41 1t69 s VAL 15 Cb 0.00 -3.33 -0.08 0.00 -1.53 0.00 0.00 36.38 31.44 1t69 s VAL 15 CO 0.00 0.28 1.43 -2.84 -3.33 0.00 0.00 175.10 170.64 1t69 s PRO 16 N -1.99 3.60 -0.14 1.54 0.02 -1.26 -4.62 135.00 132.14 1t69 s PRO 16 Ca 0.27 2.42 -0.22 0.00 0.02 0.00 0.00 61.00 63.49 1t69 s PRO 16 Cb -0.12 -2.60 -0.03 0.00 0.02 0.00 0.00 34.50 31.77 1t69 s PRO 16 CO 0.18 -0.89 0.66 0.08 -0.33 0.00 0.00 177.00 176.70 1t69 s VAL 17 N -1.21 5.03 -0.20 3.83 1.01 -0.56 -0.73 120.40 127.57 1t69 s VAL 17 Ca 0.63 1.29 -0.02 0.00 0.00 0.00 0.00 61.98 63.88 1t69 s VAL 17 Cb -0.44 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 31.96 1t69 s VAL 17 CO 0.56 0.17 -0.10 -0.47 0.00 0.00 0.00 175.10 175.25 1t69 s TYR 18 N 1.45 2.89 -0.56 5.22 6.14 0.28 -0.34 117.35 132.43 1t69 s TYR 18 Ca 0.32 -1.19 -0.25 0.00 0.64 0.00 0.00 57.07 56.59 1t69 s TYR 18 Cb -0.16 -2.03 0.04 0.00 0.42 0.00 0.00 41.96 40.22 1t69 s TYR 18 CO 0.13 -0.64 0.99 0.42 0.64 0.00 0.00 175.55 177.09 1t69 s ILE 19 N 1.39 4.31 -0.08 3.14 -1.09 -0.68 -0.44 121.20 127.75 1t69 s ILE 19 Ca 0.05 0.41 -0.09 0.00 -2.23 0.00 0.00 60.65 58.79 1t69 s ILE 19 Cb -0.14 -4.58 0.02 0.00 -1.58 0.00 0.00 42.46 36.19 1t69 s ILE 19 CO -0.07 -1.16 0.25 -0.47 -1.23 0.00 0.00 174.94 172.27 1t69 s TYR 20 N 4.15 -0.25 0.00 3.97 5.04 -0.92 -4.86 117.35 124.49 1t69 s TYR 20 Ca 0.33 0.60 -0.24 0.00 -2.44 0.00 0.00 57.07 55.32 1t69 s TYR 20 Cb -0.11 0.09 0.05 0.00 0.35 0.00 0.00 41.96 42.33 1t69 s TYR 20 CO 0.21 -0.16 0.53 -1.54 -1.34 0.00 0.00 175.55 173.24 1t69 s SER 21 N -0.08 -0.46 0.25 4.32 1.04 -1.26 -4.09 113.70 113.42 1t69 s SER 21 Ca -0.02 0.34 -0.04 0.00 0.48 0.00 0.00 55.95 56.71 1t69 s SER 21 Cb -0.02 0.47 0.40 0.00 0.10 0.00 0.00 66.02 66.97 1t69 s SER 21 CO 0.01 -0.63 1.83 1.55 0.98 0.00 0.00 173.24 176.98 1t69 h PRO 22 N 3.06 0.87 -0.81 4.02 0.13 -2.01 0.02 132.00 137.28 1t69 h PRO 22 Ca -0.29 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.78 1t69 h PRO 22 Cb 1.18 -0.20 -0.04 0.00 0.13 0.00 0.00 31.00 32.08 1t69 h PRO 22 CO 0.40 0.57 0.47 0.93 -0.23 0.00 0.00 178.00 180.15 1t69 h GLU 23 N 0.89 1.11 0.44 0.86 3.07 -1.99 0.20 114.58 119.17 1t69 h GLU 23 Ca 0.41 -0.11 -0.02 0.00 -0.50 0.00 0.00 59.36 59.14 1t69 h GLU 23 Cb 0.32 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 1t69 h GLU 23 CO -0.23 0.79 -0.21 -0.92 -1.40 0.00 0.00 179.01 177.05 1t69 h TYR 24 N 1.13 -0.55 -0.86 4.33 -0.00 -1.84 -2.41 116.97 116.76 1t69 h TYR 24 Ca 0.29 -0.01 0.22 0.00 -0.00 0.00 0.00 58.73 59.23 1t69 h TYR 24 Cb -0.02 0.18 -0.13 0.00 -0.00 0.00 0.00 36.73 36.76 1t69 h TYR 24 CO 0.01 -0.34 0.30 0.28 -0.00 0.00 0.00 178.16 178.40 1t69 h VAL 25 N -1.00 0.41 -0.24 1.81 2.07 -0.88 0.47 116.25 118.89 1t69 h VAL 25 Ca -0.06 -0.10 -0.17 0.00 0.82 0.00 0.00 66.70 67.18 1t69 h VAL 25 Cb 0.45 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1t69 h VAL 25 CO 0.10 0.05 -0.55 0.77 0.02 0.00 0.00 177.57 177.96 1t69 h SER 26 N 0.30 0.81 -0.65 0.57 4.64 -1.03 0.08 113.55 118.26 1t69 h SER 26 Ca 0.54 -0.43 0.09 0.00 -0.47 0.00 0.00 61.79 61.51 1t69 h SER 26 Cb 1.04 -0.23 -0.07 0.00 -0.31 0.00 0.00 62.40 62.83 1t69 h SER 26 CO -0.58 1.19 0.30 0.24 -0.87 0.00 0.00 176.83 177.11 1t69 h MET 27 N 0.56 0.51 0.00 4.77 2.07 -0.58 -2.55 114.93 119.72 1t69 h MET 27 Ca 0.01 -0.03 -0.01 0.00 -2.07 0.00 0.00 59.70 57.60 1t69 h MET 27 Cb 1.13 -0.12 -0.00 0.00 -1.87 0.00 0.00 31.60 30.74 1t69 h MET 27 CO 0.11 0.34 -0.07 0.00 1.07 0.00 0.00 176.91 178.36 1t69 h ASP 29 N 0.00 0.00 0.26 0.00 3.45 -0.59 -3.28 116.42 116.26 1t69 h ASP 29 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1t69 h ASP 29 Cb 0.62 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.39 1t69 h ASP 29 CO 0.01 0.00 -0.17 -1.54 -1.57 0.00 0.00 179.24 175.97 1t69 n SER 30 N -2.65 0.83 -4.65 6.45 3.41 -0.83 -3.09 113.62 113.08 1t69 n SER 30 Ca 0.04 -0.82 -0.43 0.00 -0.26 0.00 0.00 58.87 57.41 1t69 n SER 30 Cb 0.44 0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 1t69 n SER 30 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1t69 s LEU 31 N -2.44 4.19 0.30 1.04 1.43 -1.24 -4.90 118.68 117.06 1t69 s LEU 31 Ca 0.28 1.95 0.05 0.00 -1.03 0.00 0.00 54.13 55.39 1t69 s LEU 31 Cb 0.20 -3.53 0.74 0.00 0.03 0.00 0.00 46.19 43.63 1t69 s LEU 31 CO 0.48 -0.96 1.75 0.00 0.23 0.00 0.00 176.35 177.85 1t69 h ALA 32 N 9.46 1.61 0.00 4.21 0.00 -1.93 -2.65 119.26 129.96 1t69 h ALA 32 Ca -0.35 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1t69 h ALA 32 Cb 1.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1t69 h ALA 32 CO 0.97 -0.15 0.00 1.63 0.00 0.00 0.00 179.25 181.70 1t69 n LYS 33 N -4.85 0.06 -2.97 0.00 4.76 -1.26 -3.91 118.16 109.99 1t69 n LYS 33 Ca 0.23 0.09 -0.16 0.00 -2.87 0.00 0.00 58.31 55.60 1t69 n LYS 33 Cb 0.61 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 32.29 1t69 n LYS 33 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1t69 n ILE 34 N -1.46 -0.37 -2.18 -0.18 -5.35 -1.00 -5.06 119.36 103.76 1t69 n ILE 34 Ca 0.07 -2.64 -0.41 0.00 -0.27 0.00 0.00 62.75 59.49 1t69 n ILE 34 Cb 0.26 -0.18 -0.03 0.00 -1.74 0.00 0.00 39.64 37.95 1t69 n ILE 34 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1t69 s PRO 35 N -0.12 4.36 -0.28 6.28 0.04 -1.20 -3.16 135.00 140.92 1t69 s PRO 35 Ca 0.33 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.46 1t69 s PRO 35 Cb 0.18 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.53 1t69 s PRO 35 CO -0.18 -0.30 0.00 1.63 0.04 0.00 0.00 177.00 178.20 1t69 n LYS 36 N 2.75 -0.67 -0.07 4.56 5.02 -1.18 -4.93 118.16 123.64 1t69 n LYS 36 Ca 0.07 0.39 -0.13 0.00 -2.02 0.00 0.00 58.31 56.62 1t69 n LYS 36 Cb 0.42 -4.04 -0.01 0.00 -0.02 0.00 0.00 35.03 31.39 1t69 n LYS 36 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1t69 h ARG 37 N 0.41 0.81 -0.04 1.97 2.43 -1.85 -2.51 114.38 115.61 1t69 h ARG 37 Ca -0.05 -0.49 -0.07 0.00 -0.81 0.00 0.00 59.98 58.56 1t69 h ARG 37 Cb 0.42 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1t69 h ARG 37 CO 0.08 1.12 -0.24 0.00 -1.51 0.00 0.00 179.97 179.42 1t69 h ALA 38 N 0.79 0.08 -0.93 2.80 0.00 -1.85 0.95 119.26 121.11 1t69 h ALA 38 Ca 0.02 -0.42 0.09 0.00 0.00 0.00 0.00 54.91 54.60 1t69 h ALA 38 Cb 1.09 -0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.77 1t69 h ALA 38 CO 0.11 0.09 -0.52 0.43 0.00 0.00 0.00 179.25 179.36 1t69 n SER 39 N -4.51 -0.93 -0.13 0.00 7.64 -1.25 -0.22 113.62 114.22 1t69 n SER 39 Ca -0.09 1.65 -0.07 0.00 1.01 0.00 0.00 58.87 61.37 1t69 n SER 39 Cb 0.47 -0.24 0.01 0.00 -1.01 0.00 0.00 64.21 63.44 1t69 n SER 39 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1t69 h MET 40 N 0.00 0.49 0.59 1.43 2.07 -1.27 0.11 114.93 118.36 1t69 h MET 40 Ca 0.17 -0.03 -0.03 0.00 -2.07 0.00 0.00 59.70 57.75 1t69 h MET 40 Cb 0.41 -0.11 0.01 0.00 -1.87 0.00 0.00 31.60 30.03 1t69 h MET 40 CO -0.88 0.33 -0.28 0.28 1.07 0.00 0.00 176.91 177.42 1t69 h VAL 41 N 0.51 0.00 -1.00 -2.22 2.07 0.16 -1.31 116.25 114.45 1t69 h VAL 41 Ca 0.16 -0.06 0.20 0.00 0.82 0.00 0.00 66.70 67.83 1t69 h VAL 41 Cb -0.01 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.66 1t69 h VAL 41 CO -0.07 0.00 0.62 -0.74 0.02 0.00 0.00 177.57 177.40 1t69 h HIS 42 N -0.85 0.96 -0.11 1.57 6.17 -0.54 -2.19 115.15 120.16 1t69 h HIS 42 Ca -0.08 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.02 1t69 h HIS 42 Cb 0.61 -0.29 -0.00 0.00 2.52 0.00 0.00 27.41 30.24 1t69 h HIS 42 CO 0.08 0.20 0.04 1.03 0.71 0.00 0.00 177.93 179.98 1t69 h SER 43 N 0.67 0.16 0.12 3.26 0.87 -0.45 0.45 113.55 118.63 1t69 h SER 43 Ca 0.57 -0.18 -0.04 0.00 -1.23 0.00 0.00 61.79 60.91 1t69 h SER 43 Cb 1.02 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.93 1t69 h SER 43 CO -0.36 0.30 -0.15 0.25 -0.53 0.00 0.00 176.83 176.34 1t69 h LEU 44 N 0.01 0.08 -0.08 2.23 5.85 -0.65 0.21 115.31 122.96 1t69 h LEU 44 Ca 0.04 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 1t69 h LEU 44 Cb 0.19 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1t69 h LEU 44 CO -0.00 0.24 -0.25 0.40 -0.34 0.00 0.00 178.44 178.49 1t69 h ILE 45 N 0.08 1.42 -0.66 4.05 2.04 -0.90 -2.01 117.51 121.53 1t69 h ILE 45 Ca 0.02 -1.61 0.09 0.00 1.00 0.00 0.00 64.86 64.35 1t69 h ILE 45 Cb 0.32 2.25 -0.07 0.00 -0.74 0.00 0.00 36.82 38.58 1t69 h ILE 45 CO 0.02 0.46 0.30 -0.08 0.00 0.00 0.00 178.15 178.85 1t69 h GLU 46 N -0.17 0.51 -0.67 2.37 4.81 0.31 -1.52 114.58 120.22 1t69 h GLU 46 Ca -0.01 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1t69 h GLU 46 Cb 0.88 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.11 1t69 h GLU 46 CO 0.05 0.34 0.40 0.00 -0.73 0.00 0.00 179.01 179.07 1t69 h ALA 47 N 1.41 1.45 -0.14 2.92 0.00 -0.52 0.20 119.26 124.58 1t69 h ALA 47 Ca 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1t69 h ALA 47 Cb 0.35 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1t69 h ALA 47 CO -0.27 0.48 0.00 0.66 0.00 0.00 0.00 179.25 180.12 1t69 n TYR 48 N -4.40 0.18 -0.99 0.00 4.01 -0.76 -4.91 117.16 110.28 1t69 n TYR 48 Ca 0.07 -0.09 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1t69 n TYR 48 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 1t69 n TYR 48 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1t69 n ALA 49 N 0.01 0.00 0.32 -0.72 0.00 0.70 -4.84 120.51 115.98 1t69 n ALA 49 Ca 0.14 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.77 1t69 n ALA 49 Cb 0.23 -1.48 1.06 0.00 0.00 0.00 0.00 19.45 19.26 1t69 n ALA 49 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1t69 h LEU 50 N 0.00 0.00 -1.38 0.00 3.38 -1.70 -0.93 115.31 114.68 1t69 h LEU 50 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1t69 h LEU 50 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1t69 h LEU 50 CO 0.00 0.01 0.00 1.12 0.09 0.00 0.00 178.44 179.66 1t69 h HIS 51 N 0.00 0.00 0.00 1.13 2.07 -1.88 -2.59 115.15 113.88 1t69 h HIS 51 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1t69 h HIS 51 Cb 0.07 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.05 1t69 h HIS 51 CO 0.00 0.00 -0.10 0.87 -3.07 0.00 0.00 177.93 175.63 1t69 h LYS 52 N 0.00 0.00 -0.41 5.12 1.57 -1.53 -2.94 116.57 118.37 1t69 h LYS 52 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1t69 h LYS 52 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1t69 h LYS 52 CO 0.00 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.92 1t69 n GLN 53 N -2.64 2.03 -4.26 3.15 6.02 -0.98 -4.92 117.38 115.78 1t69 n GLN 53 Ca 0.04 -1.59 -0.19 0.00 -0.01 0.00 0.00 57.00 55.25 1t69 n GLN 53 Cb 0.48 -1.37 -0.11 0.00 1.02 0.00 0.00 30.24 30.26 1t69 n GLN 53 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1t69 s MET 54 N -1.45 1.08 -0.39 -1.09 -1.94 -1.11 -4.62 119.30 109.79 1t69 s MET 54 Ca 0.31 -1.28 -0.28 0.00 -1.71 0.00 0.00 55.69 52.73 1t69 s MET 54 Cb 0.16 -1.00 0.02 0.00 2.01 0.00 0.00 34.83 36.02 1t69 s MET 54 CO 0.22 0.20 1.05 0.50 -0.01 0.00 0.00 175.02 176.97 1t69 s ARG 55 N -2.70 3.88 -0.15 2.03 3.00 0.09 -4.89 118.95 120.21 1t69 s ARG 55 Ca 0.11 0.75 -0.29 0.00 -1.00 0.00 0.00 55.73 55.29 1t69 s ARG 55 Cb -0.05 -3.81 -0.00 0.00 0.00 0.00 0.00 34.95 31.08 1t69 s ARG 55 CO 0.04 -1.07 1.02 0.42 0.00 0.00 0.00 175.30 175.70 1t69 s ILE 56 N 3.86 4.74 -0.15 4.11 1.01 -1.26 -0.55 121.20 132.95 1t69 s ILE 56 Ca 0.44 2.04 -0.01 0.00 0.00 0.00 0.00 60.65 63.12 1t69 s ILE 56 Cb -0.10 -4.31 -0.01 0.00 0.01 0.00 0.00 42.46 38.05 1t69 s ILE 56 CO 0.22 -0.06 -0.13 -0.69 0.00 0.00 0.00 174.94 174.28 1t69 s VAL 57 N 2.43 2.95 0.08 2.92 1.01 0.41 -4.90 120.40 125.29 1t69 s VAL 57 Ca 0.47 -0.68 -0.31 0.00 0.00 0.00 0.00 61.98 61.46 1t69 s VAL 57 Cb -0.17 -2.25 -0.06 0.00 0.00 0.00 0.00 36.38 33.89 1t69 s VAL 57 CO 0.14 0.51 1.20 -0.54 0.00 0.00 0.00 175.10 176.41 1t69 s LYS 58 N 0.68 4.44 0.17 2.72 1.02 -1.26 -2.15 119.74 125.36 1t69 s LYS 58 Ca -0.06 1.79 -0.28 0.00 0.02 0.00 0.00 55.97 57.44 1t69 s LYS 58 Cb -0.15 -3.33 -0.08 0.00 -0.52 0.00 0.00 37.83 33.75 1t69 s LYS 58 CO 0.02 -0.24 0.86 -1.25 -0.92 0.00 0.00 175.35 173.83 1t69 s PRO 59 N 0.90 4.69 0.71 -1.68 0.04 -1.26 -4.99 135.00 133.41 1t69 s PRO 59 Ca 0.58 1.31 -0.11 0.00 0.04 0.00 0.00 61.00 62.82 1t69 s PRO 59 Cb -0.30 -3.30 0.02 0.00 0.04 0.00 0.00 34.50 30.96 1t69 s PRO 59 CO 0.30 0.47 1.07 -1.59 0.04 0.00 0.00 177.00 177.29 1t69 s LYS 60 N -0.88 2.78 -0.19 4.56 0.00 -1.26 -4.89 119.74 119.85 1t69 s LYS 60 Ca 0.39 0.75 -0.26 0.00 0.00 0.00 0.00 55.97 56.85 1t69 s LYS 60 Cb -0.24 -1.99 -0.01 0.00 0.00 0.00 0.00 37.83 35.60 1t69 s LYS 60 CO 0.29 -1.16 0.89 0.08 0.00 0.00 0.00 175.35 175.45 1t69 s VAL 61 N -3.15 4.82 -0.21 1.79 1.01 -1.26 -4.04 120.40 119.37 1t69 s VAL 61 Ca 0.58 1.74 -0.29 0.00 0.00 0.00 0.00 61.98 64.01 1t69 s VAL 61 Cb -0.13 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 1t69 s VAL 61 CO 0.54 -0.04 1.75 0.00 0.00 0.00 0.00 175.10 177.35 1t69 s ALA 62 N 2.49 3.18 0.65 5.51 0.00 -0.97 -4.94 121.76 127.69 1t69 s ALA 62 Ca 0.40 0.56 -0.17 0.00 0.00 0.00 0.00 51.96 52.75 1t69 s ALA 62 Cb -0.16 -3.90 -0.00 0.00 0.00 0.00 0.00 23.12 19.05 1t69 s ALA 62 CO 0.11 -2.11 1.24 -1.54 0.00 0.00 0.00 175.76 173.46 1t69 s SER 63 N 5.00 4.67 0.25 0.00 1.04 -1.26 -4.74 113.70 118.66 1t69 s SER 63 Ca 0.78 2.46 -0.13 0.00 0.48 0.00 0.00 55.95 59.54 1t69 s SER 63 Cb -0.27 -2.60 0.33 0.00 0.10 0.00 0.00 66.02 63.58 1t69 s SER 63 CO 0.32 -1.95 1.56 -0.03 0.98 0.00 0.00 173.24 174.12 1t69 h MET 64 N 0.40 -0.00 0.03 4.02 4.05 -1.99 0.12 114.93 121.56 1t69 h MET 64 Ca -0.50 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 58.92 1t69 h MET 64 Cb 1.31 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.11 1t69 h MET 64 CO 0.53 -0.00 -0.01 0.93 0.23 0.00 0.00 176.91 178.58 1t69 h GLU 65 N -0.00 -0.04 -1.00 0.39 3.07 -1.97 -2.39 114.58 112.63 1t69 h GLU 65 Ca 0.40 0.00 0.25 0.00 -0.50 0.00 0.00 59.36 59.51 1t69 h GLU 65 Cb 0.65 0.01 -0.13 0.00 -0.84 0.00 0.00 28.75 28.45 1t69 h GLU 65 CO -1.00 0.04 0.58 0.93 -1.40 0.00 0.00 179.01 178.16 1t69 h GLU 66 N -0.11 0.55 0.00 2.33 5.08 -1.14 0.63 114.58 121.92 1t69 h GLU 66 Ca -0.00 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.15 1t69 h GLU 66 Cb 0.10 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1t69 h GLU 66 CO 0.01 0.36 -0.83 0.52 -1.00 0.00 0.00 179.01 178.07 1t69 h MET 67 N 0.56 0.01 0.00 2.33 2.86 -1.27 -3.25 114.93 116.17 1t69 h MET 67 Ca 0.64 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.27 1t69 h MET 67 Cb 1.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.89 1t69 h MET 67 CO -0.48 0.83 0.00 0.00 1.06 0.00 0.00 176.91 178.32 1t69 n ALA 68 N -2.39 1.68 -0.32 6.32 0.00 0.22 -2.19 120.51 123.83 1t69 n ALA 68 Ca -0.01 0.01 0.18 0.00 0.00 0.00 0.00 53.44 53.63 1t69 n ALA 68 Cb 0.79 -1.31 0.38 0.00 0.00 0.00 0.00 19.45 19.31 1t69 n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t69 h THR 69 N 0.00 0.24 0.00 0.00 1.03 -1.45 -3.35 112.91 109.37 1t69 h THR 69 Ca 0.00 -0.07 0.00 0.00 -0.01 0.00 0.00 66.41 66.33 1t69 h THR 69 Cb 0.31 0.03 0.00 0.00 -1.07 0.00 0.00 68.15 67.42 1t69 h THR 69 CO 0.00 0.03 -0.87 0.33 -0.01 0.00 0.00 175.52 175.01 1t69 n PHE 70 N -5.22 0.00 -3.01 0.00 7.35 -1.06 -5.01 117.46 110.51 1t69 n PHE 70 Ca 0.26 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.55 1t69 n PHE 70 Cb 0.85 0.01 -0.05 0.00 0.35 0.00 0.00 39.48 40.63 1t69 n PHE 70 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 1t69 s HIS 71 N -1.88 3.39 -0.03 -5.13 3.76 -0.93 -4.66 115.29 109.81 1t69 s HIS 71 Ca 0.00 1.08 -0.30 0.00 -0.15 0.00 0.00 55.06 55.69 1t69 s HIS 71 Cb 0.00 -2.90 -0.08 0.00 1.11 0.00 0.00 32.58 30.71 1t69 s HIS 71 CO 0.00 -0.22 1.97 0.95 -0.85 0.00 0.00 174.74 176.60 1t69 s THR 72 N 2.08 3.10 0.52 1.30 -4.23 -0.93 -4.25 115.64 113.22 1t69 s THR 72 Ca 0.33 0.11 0.43 0.00 -1.18 0.00 0.00 61.69 61.38 1t69 s THR 72 Cb -0.16 -3.08 0.64 0.00 1.34 0.00 0.00 72.50 71.24 1t69 s THR 72 CO 0.11 -0.02 1.60 -0.78 -0.54 0.00 0.00 174.62 174.99 1t69 h ASP 73 N 11.40 0.08 0.22 3.99 1.82 -1.92 -0.78 116.42 131.24 1t69 h ASP 73 Ca -0.46 0.05 0.01 0.00 -0.39 0.00 0.00 57.03 56.24 1t69 h ASP 73 Cb 1.23 0.05 -0.04 0.00 0.68 0.00 0.00 39.33 41.25 1t69 h ASP 73 CO 0.95 -0.08 -0.47 0.00 -1.61 0.00 0.00 179.24 178.03 1t69 h ALA 74 N 1.24 -0.92 -0.46 -0.78 0.00 -1.99 -1.43 119.26 114.92 1t69 h ALA 74 Ca 0.88 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.72 1t69 h ALA 74 Cb 3.30 0.77 -0.06 0.00 0.00 0.00 0.00 17.79 21.80 1t69 h ALA 74 CO -0.16 -1.08 -0.27 0.98 0.00 0.00 0.00 179.25 178.72 1t69 n TYR 75 N -5.50 -0.20 0.27 0.00 9.36 -0.30 -0.11 117.16 120.68 1t69 n TYR 75 Ca -0.09 0.57 0.03 0.00 3.32 0.00 0.00 57.90 61.73 1t69 n TYR 75 Cb 0.41 -0.51 0.15 0.00 -0.63 0.00 0.00 39.34 38.76 1t69 n TYR 75 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1t69 n LEU 76 N -4.04 0.00 -0.12 2.98 4.77 -0.98 -0.72 117.00 118.89 1t69 n LEU 76 Ca 0.01 0.31 -0.17 0.00 -0.03 0.00 0.00 56.01 56.14 1t69 n LEU 76 Cb 0.12 -0.31 -0.12 0.00 -2.33 0.00 0.00 43.42 40.78 1t69 n LEU 76 CO -0.07 -0.25 -1.30 0.00 -1.33 0.00 0.00 177.39 174.43 1t69 n GLN 77 N -1.31 0.64 0.22 3.23 6.02 -0.00 -4.15 117.38 122.02 1t69 n GLN 77 Ca 0.03 0.13 -0.15 0.00 -0.01 0.00 0.00 57.00 57.00 1t69 n GLN 77 Cb 0.05 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 29.73 1t69 n GLN 77 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1t69 h HIS 78 N 0.00 -0.48 0.00 1.08 2.76 0.12 -2.68 115.15 115.94 1t69 h HIS 78 Ca -0.55 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.60 1t69 h HIS 78 Cb 1.88 0.16 0.00 0.00 1.55 0.00 0.00 27.41 31.00 1t69 h HIS 78 CO 0.03 -0.24 0.13 -0.11 -1.30 0.00 0.00 177.93 176.44 1t69 n LEU 79 N -5.27 0.28 -0.04 0.26 7.94 0.10 -1.02 117.00 119.24 1t69 n LEU 79 Ca -0.11 0.56 -0.22 0.00 -1.11 0.00 0.00 56.01 55.14 1t69 n LEU 79 Cb 0.25 -0.57 -0.13 0.00 0.53 0.00 0.00 43.42 43.50 1t69 n LEU 79 CO 0.35 -0.66 -0.58 -0.61 -1.11 0.00 0.00 177.39 174.78 1t69 h GLN 80 N 0.00 0.14 0.19 1.96 4.15 -1.64 -3.03 115.11 116.88 1t69 h GLN 80 Ca 0.00 -0.24 -0.01 0.00 0.77 0.00 0.00 58.65 59.17 1t69 h GLN 80 Cb 0.26 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.04 1t69 h GLN 80 CO 0.00 1.11 -0.09 0.87 -1.93 0.00 0.00 178.83 178.79 1t69 h LYS 81 N -0.50 -0.25 -0.65 1.69 1.57 -1.21 -2.91 116.57 114.31 1t69 h LYS 81 Ca -0.36 0.02 0.13 0.00 -1.87 0.00 0.00 60.65 58.57 1t69 h LYS 81 Cb 1.63 0.06 -0.10 0.00 0.08 0.00 0.00 32.23 33.90 1t69 h LYS 81 CO -0.05 -0.08 0.09 0.28 -0.57 0.00 0.00 179.45 179.12 1t69 h VAL 82 N -0.36 0.54 0.00 0.50 2.07 -1.26 0.47 116.25 118.21 1t69 h VAL 82 Ca -0.03 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1t69 h VAL 82 Cb 0.28 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1t69 h VAL 82 CO 0.04 0.04 0.00 -0.24 0.02 0.00 0.00 177.57 177.43 1t69 n SER 83 N -5.20 0.00 -0.02 0.57 2.88 -1.12 -4.44 113.62 106.29 1t69 n SER 83 Ca 0.11 -1.11 -0.00 0.00 -1.33 0.00 0.00 58.87 56.53 1t69 n SER 83 Cb 0.38 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.79 1t69 n SER 83 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t69 n GLN 84 N -0.57 1.89 0.00 -1.46 3.00 0.16 -3.88 117.38 116.53 1t69 n GLN 84 Ca 0.02 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1t69 n GLN 84 Cb 0.01 -1.14 0.00 0.00 0.00 0.00 0.00 30.24 29.11 1t69 n GLN 84 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1t69 n PRO 91 N -2.00 0.00 -0.30 -1.09 -0.04 -1.26 -4.83 135.00 125.48 1t69 n PRO 91 Ca -0.06 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.52 1t69 n PRO 91 Cb 0.47 0.00 0.28 0.00 -0.04 0.00 0.00 33.50 34.21 1t69 n PRO 91 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1t69 n ASP 92 N 3.83 3.77 0.03 3.54 5.68 -1.26 -4.49 116.55 127.65 1t69 n ASP 92 Ca 0.00 -2.00 -0.08 0.00 -0.50 0.00 0.00 54.79 52.22 1t69 n ASP 92 Cb 0.00 -0.39 -0.13 0.00 -1.14 0.00 0.00 41.12 39.46 1t69 n ASP 92 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1t69 h SER 93 N 4.37 0.00 1.14 -1.12 0.02 -1.96 -3.33 113.55 112.68 1t69 h SER 93 Ca 0.00 -0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.77 1t69 h SER 93 Cb 0.99 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.50 1t69 h SER 93 CO 0.00 1.00 -0.87 0.40 -1.14 0.00 0.00 176.83 176.23 1t69 h ILE 94 N 0.00 1.39 0.59 3.27 5.03 -1.79 -2.90 117.51 123.11 1t69 h ILE 94 Ca -0.11 -2.99 -0.03 0.00 -0.12 0.00 0.00 64.86 61.62 1t69 h ILE 94 Cb 1.86 2.68 -0.00 0.00 -3.03 0.00 0.00 36.82 38.33 1t69 h ILE 94 CO 0.11 0.79 -0.35 -0.33 -0.68 0.00 0.00 178.15 177.69 1t69 h GLU 95 N 0.00 -0.85 -1.95 2.37 5.08 -1.86 -3.25 114.58 114.13 1t69 h GLU 95 Ca -0.02 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1t69 h GLU 95 Cb 1.65 0.19 0.00 0.00 0.50 0.00 0.00 28.75 31.09 1t69 h GLU 95 CO 0.11 -0.57 0.00 0.66 -1.00 0.00 0.00 179.01 178.21 1t69 n TYR 96 N -4.60 0.00 0.00 4.33 4.01 -1.24 -4.73 117.16 114.93 1t69 n TYR 96 Ca -0.11 -0.45 0.00 0.00 -0.16 0.00 0.00 57.90 57.18 1t69 n TYR 96 Cb 0.36 -0.35 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 1t69 n TYR 96 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1t69 n GLY 97 N 1.65 1.09 3.72 2.72 0.00 -1.23 -2.91 105.19 110.23 1t69 n GLY 97 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1t69 n GLY 97 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1t69 n LEU 98 N 0.00 5.31 0.00 0.99 4.32 -1.09 -4.26 117.00 122.27 1t69 n LEU 98 Ca 0.00 0.91 0.00 0.00 -0.02 0.00 0.00 56.01 56.90 1t69 n LEU 98 Cb 0.00 -1.54 0.00 0.00 -1.62 0.00 0.00 43.42 40.26 1t69 n LEU 98 CO 0.00 -0.92 0.00 0.61 -1.22 0.00 0.00 177.39 175.86 1t69 n GLY 99 N 0.90 2.52 0.07 -0.72 0.00 -0.79 -4.43 105.19 102.75 1t69 n GLY 99 Ca 0.12 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 1t69 n GLY 99 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1t69 h TYR 100 N 0.00 0.09 -0.43 1.61 3.20 -1.98 -3.18 116.97 116.27 1t69 h TYR 100 Ca 0.00 -0.03 0.11 0.00 3.14 0.00 0.00 58.73 61.95 1t69 h TYR 100 Cb 0.00 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 1t69 h TYR 100 CO 0.00 0.60 0.31 -0.44 -1.64 0.00 0.00 178.16 176.99 1t69 h ASP 101 N -0.46 0.08 -3.07 -2.11 3.32 -1.95 -3.32 116.42 108.92 1t69 h ASP 101 Ca 0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 1t69 h ASP 101 Cb 0.60 -0.01 -0.40 0.00 0.22 0.00 0.00 39.33 39.73 1t69 h ASP 101 CO 0.01 0.05 -0.78 0.00 -1.72 0.00 0.00 179.24 176.79 1t69 n PRO 103 N 3.27 -3.06 -0.92 0.00 -0.04 -1.21 -1.88 135.00 131.16 1t69 n PRO 103 Ca 0.15 -0.89 -0.04 0.00 -0.04 0.00 0.00 63.50 62.68 1t69 n PRO 103 Cb 0.38 -1.82 0.18 0.00 -0.04 0.00 0.00 33.50 32.19 1t69 n PRO 103 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1t69 n ALA 104 N -5.03 4.25 -1.43 0.55 0.00 -1.26 -4.84 120.51 112.75 1t69 n ALA 104 Ca 0.06 -3.31 -0.56 0.00 0.00 0.00 0.00 53.44 49.62 1t69 n ALA 104 Cb 0.53 -0.57 -0.09 0.00 0.00 0.00 0.00 19.45 19.32 1t69 n ALA 104 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1t69 n THR 105 N -1.06 0.12 -1.92 0.00 5.66 -1.26 -4.65 114.28 111.16 1t69 n THR 105 Ca 0.30 -0.11 -0.41 0.00 -3.05 0.00 0.00 64.05 60.78 1t69 n THR 105 Cb 0.89 -1.07 -0.03 0.00 -1.55 0.00 0.00 70.33 68.57 1t69 n THR 105 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 1t69 s GLU 106 N 5.51 2.98 -0.21 1.09 2.12 -1.26 -0.06 118.70 128.87 1t69 s GLU 106 Ca 1.12 1.26 -0.05 0.00 0.36 0.00 0.00 54.97 57.66 1t69 s GLU 106 Cb -1.18 -4.31 0.07 0.00 0.26 0.00 0.00 34.13 28.97 1t69 s GLU 106 CO 0.60 -2.29 0.10 0.20 -0.54 0.00 0.00 175.26 173.34 1t69 s GLY 107 N 7.55 0.42 0.46 -1.50 0.00 -1.25 -4.97 107.32 108.03 1t69 s GLY 107 Ca 0.80 -0.56 0.25 0.00 0.00 0.00 0.00 44.72 45.21 1t69 s GLY 107 CO 0.29 1.81 1.90 0.16 0.00 0.00 0.00 173.10 177.26 1t69 h ILE 108 N 6.42 0.56 -0.77 0.90 3.07 -0.75 -3.19 117.51 123.76 1t69 h ILE 108 Ca -0.16 -0.96 0.09 0.00 1.55 0.00 0.00 64.86 65.38 1t69 h ILE 108 Cb 1.11 1.64 -0.07 0.00 -0.27 0.00 0.00 36.82 39.23 1t69 h ILE 108 CO 0.34 0.19 0.42 0.15 -1.05 0.00 0.00 178.15 178.20 1t69 h PHE 109 N 0.00 0.76 -0.05 0.16 3.57 -1.85 0.39 116.94 119.92 1t69 h PHE 109 Ca -0.00 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.37 1t69 h PHE 109 Cb 0.63 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 1t69 h PHE 109 CO 0.00 0.30 -0.65 -0.44 -2.23 0.00 0.00 178.31 175.29 1t69 h ASP 110 N 0.71 0.24 0.84 0.41 5.19 -1.90 -1.47 116.42 120.45 1t69 h ASP 110 Ca 0.37 -0.15 -0.04 0.00 -0.62 0.00 0.00 57.03 56.60 1t69 h ASP 110 Cb 0.36 -0.07 0.01 0.00 0.18 0.00 0.00 39.33 39.80 1t69 h ASP 110 CO -0.25 0.82 -0.41 1.88 -3.12 0.00 0.00 179.24 178.17 1t69 h TYR 111 N 0.15 -1.05 -0.79 4.55 0.99 -0.58 -1.04 116.97 119.19 1t69 h TYR 111 Ca -0.01 -0.02 0.08 0.00 2.00 0.00 0.00 58.73 60.77 1t69 h TYR 111 Cb 1.17 0.35 -0.07 0.00 1.00 0.00 0.00 36.73 39.18 1t69 h TYR 111 CO 0.02 -0.65 0.45 0.00 -0.00 0.00 0.00 178.16 177.99 1t69 h ALA 112 N -1.09 1.11 0.00 3.88 0.00 -0.51 -1.88 119.26 120.77 1t69 h ALA 112 Ca -0.12 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1t69 h ALA 112 Cb 0.88 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1t69 h ALA 112 CO 0.19 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.55 1t69 n ALA 113 N -2.37 1.49 -0.04 0.00 0.00 -0.55 -1.99 120.51 117.05 1t69 n ALA 113 Ca 0.12 0.02 -0.12 0.00 0.00 0.00 0.00 53.44 53.46 1t69 n ALA 113 Cb 0.24 -1.25 -0.14 0.00 0.00 0.00 0.00 19.45 18.30 1t69 n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t69 n ALA 114 N -1.61 1.38 -0.05 0.00 0.00 -0.41 -2.28 120.51 117.54 1t69 n ALA 114 Ca 0.02 -0.87 -0.14 0.00 0.00 0.00 0.00 53.44 52.45 1t69 n ALA 114 Cb 0.14 -0.63 -0.08 0.00 0.00 0.00 0.00 19.45 18.89 1t69 n ALA 114 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1t69 h ILE 115 N 0.01 1.38 0.20 0.00 1.08 -1.06 0.39 117.51 119.51 1t69 h ILE 115 Ca -0.39 -1.43 -0.01 0.00 -0.39 0.00 0.00 64.86 62.65 1t69 h ILE 115 Cb 2.06 2.04 -0.00 0.00 -3.07 0.00 0.00 36.82 37.85 1t69 h ILE 115 CO 0.06 0.41 -0.11 1.23 -0.69 0.00 0.00 178.15 179.06 1t69 h GLY 116 N -0.10 -0.29 0.48 5.37 0.00 -1.61 0.70 103.07 107.63 1t69 h GLY 116 Ca 0.01 0.11 0.09 0.00 0.00 0.00 0.00 47.33 47.55 1t69 h GLY 116 CO 0.04 -0.11 0.38 -1.33 0.00 0.00 0.00 176.54 175.52 1t69 h GLY 117 N -0.28 1.12 0.92 4.60 0.00 -1.57 1.12 103.07 108.98 1t69 h GLY 117 Ca -0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1t69 h GLY 117 CO 0.03 0.07 -0.09 0.00 0.00 0.00 0.00 176.54 176.56 1t69 h ALA 118 N 1.44 -0.26 -0.45 3.60 0.00 -0.76 0.36 119.26 123.19 1t69 h ALA 118 Ca 0.36 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1t69 h ALA 118 Cb 0.37 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1t69 h ALA 118 CO -0.26 -0.60 0.14 1.15 0.00 0.00 0.00 179.25 179.67 1t69 h THR 119 N -0.34 1.19 -0.30 0.00 2.02 0.59 0.79 112.91 116.86 1t69 h THR 119 Ca -0.03 -0.64 -0.07 0.00 0.77 0.00 0.00 66.41 66.44 1t69 h THR 119 Cb 0.26 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1t69 h THR 119 CO 0.04 0.24 -0.10 0.40 0.37 0.00 0.00 175.52 176.47 1t69 h ILE 120 N 0.65 1.29 -0.39 3.11 2.04 0.14 -1.69 117.51 122.66 1t69 h ILE 120 Ca 0.15 -1.16 0.04 0.00 1.00 0.00 0.00 64.86 64.89 1t69 h ILE 120 Cb 0.20 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 1t69 h ILE 120 CO -0.01 0.37 0.16 0.74 0.00 0.00 0.00 178.15 179.42 1t69 h THR 121 N 0.36 0.92 -0.53 -0.27 2.02 0.33 0.01 112.91 115.75 1t69 h THR 121 Ca 0.07 -0.12 0.04 0.00 0.77 0.00 0.00 66.41 67.17 1t69 h THR 121 Cb 0.60 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 1t69 h THR 121 CO 0.03 0.06 0.29 0.00 0.37 0.00 0.00 175.52 176.28 1t69 h ALA 122 N 1.23 0.69 -0.19 6.16 0.00 -0.77 -2.14 119.26 124.23 1t69 h ALA 122 Ca 0.18 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1t69 h ALA 122 Cb 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1t69 h ALA 122 CO -0.16 -0.03 -0.20 0.00 0.00 0.00 0.00 179.25 178.86 1t69 h ALA 123 N 1.27 1.30 -0.52 0.00 0.00 -0.79 -2.81 119.26 117.70 1t69 h ALA 123 Ca 0.23 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1t69 h ALA 123 Cb 0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1t69 h ALA 123 CO -0.14 0.47 -0.00 0.37 0.00 0.00 0.00 179.25 179.95 1t69 h GLN 124 N 0.31 0.93 -0.08 0.00 5.75 -0.44 -0.99 115.11 120.59 1t69 h GLN 124 Ca 0.05 -0.30 0.03 0.00 -0.15 0.00 0.00 58.65 58.29 1t69 h GLN 124 Cb 0.53 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.96 1t69 h GLN 124 CO 0.04 0.95 -0.13 0.00 -2.65 0.00 0.00 178.83 177.03 1t69 h LEU 126 N -0.18 0.78 0.00 0.00 -0.00 -1.21 0.12 115.31 114.82 1t69 h LEU 126 Ca 0.07 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 1t69 h LEU 126 Cb 0.28 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 40.81 1t69 h LEU 126 CO -0.19 0.44 -0.73 0.16 -0.00 0.00 0.00 178.44 178.12 1t69 h ILE 127 N 0.85 0.00 0.00 1.22 3.07 -0.79 -3.11 117.51 118.75 1t69 h ILE 127 Ca 0.43 -0.67 0.00 0.00 1.55 0.00 0.00 64.86 66.17 1t69 h ILE 127 Cb 0.49 1.23 0.00 0.00 -0.27 0.00 0.00 36.82 38.27 1t69 h ILE 127 CO -0.19 0.00 -0.09 0.47 -1.05 0.00 0.00 178.15 177.29 1t69 n ASP 128 N -2.32 0.09 0.00 2.16 8.00 0.70 -4.92 116.55 120.26 1t69 n ASP 128 Ca 0.02 0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.89 1t69 n ASP 128 Cb 0.48 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 1t69 n ASP 128 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1t69 n GLY 129 N 1.50 0.43 0.30 0.44 0.00 -0.62 -4.95 105.19 102.29 1t69 n GLY 129 Ca 0.07 -0.81 0.20 0.00 0.00 0.00 0.00 46.02 45.48 1t69 n GLY 129 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1t69 h MET 130 N 0.27 0.00 -1.90 1.61 4.05 -1.06 -3.46 114.93 114.43 1t69 h MET 130 Ca 0.00 0.00 0.21 0.00 -0.28 0.00 0.00 59.70 59.63 1t69 h MET 130 Cb 0.00 0.00 -0.14 0.00 -0.80 0.00 0.00 31.60 30.66 1t69 h MET 130 CO 0.00 0.00 0.65 0.00 0.23 0.00 0.00 176.91 177.79 1t69 h LYS 132 N 2.00 0.16 -3.66 0.00 3.64 -1.85 -3.43 116.57 113.43 1t69 h LYS 132 Ca -0.21 -0.21 -0.27 0.00 -1.27 0.00 0.00 60.65 58.69 1t69 h LYS 132 Cb 1.21 0.07 -0.31 0.00 -0.41 0.00 0.00 32.23 32.79 1t69 h LYS 132 CO 0.27 1.02 -0.73 0.08 -2.27 0.00 0.00 179.45 177.82 1t69 s VAL 133 N -2.96 -0.00 -0.02 2.00 1.01 -1.26 -1.39 120.40 117.77 1t69 s VAL 133 Ca -0.02 0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.08 1t69 s VAL 133 Cb 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 36.38 36.40 1t69 s VAL 133 CO 0.84 0.05 -0.12 0.00 0.00 0.00 0.00 175.10 175.86 1t69 s ALA 134 N 0.50 1.08 -0.07 5.51 0.00 -0.11 -1.49 121.76 127.17 1t69 s ALA 134 Ca -0.04 -0.52 0.03 0.00 0.00 0.00 0.00 51.96 51.44 1t69 s ALA 134 Cb -0.06 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 1t69 s ALA 134 CO -0.01 0.23 -0.17 0.42 0.00 0.00 0.00 175.76 176.23 1t69 s ILE 135 N -0.14 2.81 -0.39 0.00 1.01 0.53 -0.19 121.20 124.84 1t69 s ILE 135 Ca 0.02 -0.79 0.09 0.00 0.00 0.00 0.00 60.65 59.97 1t69 s ILE 135 Cb -0.07 -2.10 0.28 0.00 0.01 0.00 0.00 42.46 40.58 1t69 s ILE 135 CO 0.00 0.57 0.62 -3.20 0.00 0.00 0.00 174.94 172.93 1t69 n ASN 136 N 2.74 0.14 -0.32 3.58 4.05 0.96 -1.68 115.26 124.73 1t69 n ASN 136 Ca -0.17 -2.85 0.18 0.00 0.45 0.00 0.00 54.58 52.18 1t69 n ASN 136 Cb 0.52 -0.43 0.37 0.00 1.23 0.00 0.00 39.78 41.47 1t69 n ASN 136 CO 0.00 0.00 0.00 -0.50 -3.05 0.00 0.00 177.26 173.71 1t69 h TRP 137 N 3.66 0.61 0.00 1.20 -0.00 -1.89 0.30 115.95 119.83 1t69 h TRP 137 Ca 0.06 0.04 0.00 0.00 -0.00 0.00 0.00 58.89 59.00 1t69 h TRP 137 Cb 0.92 -0.12 0.00 0.00 -0.00 0.00 0.00 29.16 29.96 1t69 h TRP 137 CO 0.38 -0.19 0.05 0.43 -0.00 0.00 0.00 178.44 179.11 1t69 n SER 138 N -5.14 0.43 -2.13 -3.49 7.64 -1.26 -2.55 113.62 107.11 1t69 n SER 138 Ca 0.26 0.68 -0.01 0.00 1.01 0.00 0.00 58.87 60.81 1t69 n SER 138 Cb 0.81 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 1t69 n SER 138 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1t69 n GLY 139 N -1.32 2.25 0.00 0.23 0.00 0.10 -4.91 105.19 101.54 1t69 n GLY 139 Ca -0.01 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.86 1t69 n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t69 n GLY 140 N 4.69 1.80 3.24 -0.02 0.00 -1.26 -2.02 105.19 111.61 1t69 n GLY 140 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1t69 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1t69 n TRP 141 N -0.52 4.19 0.98 1.61 7.02 -1.26 -4.41 117.44 125.05 1t69 n TRP 141 Ca 0.00 -3.03 0.00 0.00 -1.02 0.00 0.00 57.50 53.45 1t69 n TRP 141 Cb 0.00 -2.31 0.00 0.00 -2.42 0.00 0.00 31.31 26.58 1t69 n TRP 141 CO 0.00 0.00 0.00 -2.39 -2.02 0.00 0.00 177.69 173.28 1t69 n HIS 142 N 6.01 0.00 -0.02 -5.99 1.44 -1.26 -3.89 115.22 111.52 1t69 n HIS 142 Ca 0.43 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 56.11 1t69 n HIS 142 Cb 0.41 -0.09 -0.01 0.00 0.12 0.00 0.00 29.99 30.42 1t69 n HIS 142 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1t69 n HIS 143 N 0.01 0.00 -1.62 -1.40 8.25 -1.26 -0.67 115.22 118.52 1t69 n HIS 143 Ca 0.00 0.00 -0.47 0.00 -0.26 0.00 0.00 57.72 56.99 1t69 n HIS 143 Cb 0.23 -0.12 -0.03 0.00 1.12 0.00 0.00 29.99 31.18 1t69 n HIS 143 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1t69 n ALA 144 N -2.81 0.08 -1.99 -1.41 0.00 -1.22 -4.09 120.51 109.06 1t69 n ALA 144 Ca -0.06 0.44 -0.21 0.00 0.00 0.00 0.00 53.44 53.61 1t69 n ALA 144 Cb 0.55 -2.14 0.06 0.00 0.00 0.00 0.00 19.45 17.93 1t69 n ALA 144 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1t69 s LYS 145 N -0.34 2.21 0.22 0.00 -0.14 0.23 -4.28 119.74 117.64 1t69 s LYS 145 Ca 0.71 -1.06 -0.09 0.00 -1.36 0.00 0.00 55.97 54.18 1t69 s LYS 145 Cb -0.76 -2.47 0.21 0.00 -1.68 0.00 0.00 37.83 33.13 1t69 s LYS 145 CO 0.51 -0.97 1.87 1.57 -0.76 0.00 0.00 175.35 177.56 1t69 h LYS 146 N -0.10 0.94 -0.01 1.68 2.10 -1.94 -3.19 116.57 116.06 1t69 h LYS 146 Ca -0.38 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1t69 h LYS 146 Cb 1.28 -0.21 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 1t69 h LYS 146 CO 0.46 0.62 -0.17 -0.40 -2.00 0.00 0.00 179.45 177.96 1t69 n ASP 147 N -4.60 1.47 -3.99 7.07 3.85 -1.26 -2.18 116.55 116.91 1t69 n ASP 147 Ca 0.09 -1.23 -0.17 0.00 -0.71 0.00 0.00 54.79 52.76 1t69 n ASP 147 Cb 0.08 0.34 -0.15 0.00 -1.35 0.00 0.00 41.12 40.04 1t69 n ASP 147 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 1t69 s GLU 148 N -1.32 0.59 0.37 0.11 2.02 -1.21 -4.54 118.70 114.71 1t69 s GLU 148 Ca 0.10 -0.25 -0.26 0.00 0.02 0.00 0.00 54.97 54.59 1t69 s GLU 148 Cb 0.09 -0.57 -0.09 0.00 0.10 0.00 0.00 34.13 33.66 1t69 s GLU 148 CO 0.24 0.14 1.08 0.00 0.02 0.00 0.00 175.26 176.75 1t69 s ALA 149 N -0.13 3.18 -0.22 5.21 0.00 -1.15 -0.60 121.76 128.06 1t69 s ALA 149 Ca 0.02 0.80 -0.27 0.00 0.00 0.00 0.00 51.96 52.52 1t69 s ALA 149 Cb -0.03 -3.31 0.08 0.00 0.00 0.00 0.00 23.12 19.86 1t69 s ALA 149 CO -0.00 -0.26 0.77 0.45 0.00 0.00 0.00 175.76 176.71 1t69 s SER 150 N -1.31 -0.67 -0.82 0.00 0.15 -0.11 -4.43 113.70 106.52 1t69 s SER 150 Ca 0.54 1.16 -0.05 0.00 0.70 0.00 0.00 55.95 58.31 1t69 s SER 150 Cb -0.26 1.13 0.01 0.00 -1.71 0.00 0.00 66.02 65.19 1t69 s SER 150 CO 0.33 -0.32 0.71 0.61 1.20 0.00 0.00 173.24 175.77 1t69 n GLY 151 N 2.14 0.02 3.78 9.45 0.00 -1.26 -1.64 105.19 117.69 1t69 n GLY 151 Ca -0.15 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1t69 n GLY 151 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1t69 n PHE 152 N -3.86 0.00 -3.29 1.61 3.72 -1.24 -4.93 117.46 109.47 1t69 n PHE 152 Ca -0.02 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.99 1t69 n PHE 152 Cb 0.55 -0.96 -0.07 0.00 -0.94 0.00 0.00 39.48 38.06 1t69 n PHE 152 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1t69 n TYR 154 N 4.65 0.00 -3.22 0.00 4.02 -1.26 -0.93 117.16 120.42 1t69 n TYR 154 Ca -0.06 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.87 1t69 n TYR 154 Cb 0.51 -0.34 -0.02 0.00 -0.02 0.00 0.00 39.34 39.47 1t69 n TYR 154 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1t69 s LEU 155 N -4.01 -1.21 -0.96 7.72 2.96 -1.26 -4.78 118.68 117.14 1t69 s LEU 155 Ca -0.04 0.89 -0.24 0.00 -0.22 0.00 0.00 54.13 54.51 1t69 s LEU 155 Cb 0.12 2.06 -0.07 0.00 0.50 0.00 0.00 46.19 48.80 1t69 s LEU 155 CO 0.76 -0.23 2.00 0.21 -1.32 0.00 0.00 176.35 177.77 1t69 s ASN 156 N 2.86 4.92 0.55 3.68 3.84 -1.26 -4.71 114.94 124.83 1t69 s ASN 156 Ca 0.14 -0.85 0.33 0.00 0.21 0.00 0.00 52.86 52.70 1t69 s ASN 156 Cb -0.14 -2.57 1.42 0.00 -0.55 0.00 0.00 41.25 39.42 1t69 s ASN 156 CO -0.19 -3.02 2.01 -2.24 -2.79 0.00 0.00 177.10 170.87 1t69 h ASP 157 N 11.07 0.00 -0.36 -4.21 2.03 -1.92 -2.26 116.42 120.77 1t69 h ASP 157 Ca 0.11 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.26 1t69 h ASP 157 Cb 0.99 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.48 1t69 h ASP 157 CO 1.19 0.03 -0.39 0.00 -1.03 0.00 0.00 179.24 179.03 1t69 h ALA 158 N 1.97 0.53 -0.04 4.15 0.00 -1.85 -0.60 119.26 123.43 1t69 h ALA 158 Ca -0.00 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1t69 h ALA 158 Cb 0.48 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1t69 h ALA 158 CO 0.00 0.63 0.02 0.28 0.00 0.00 0.00 179.25 180.19 1t69 h VAL 159 N 0.70 1.05 -0.56 0.00 2.07 -1.79 0.50 116.25 118.22 1t69 h VAL 159 Ca 0.05 -0.12 0.09 0.00 0.82 0.00 0.00 66.70 67.54 1t69 h VAL 159 Cb 0.98 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 1t69 h VAL 159 CO 0.09 0.04 0.38 -0.07 0.02 0.00 0.00 177.57 178.03 1t69 h LEU 160 N 0.01 0.35 -0.07 2.57 3.38 -1.48 0.71 115.31 120.78 1t69 h LEU 160 Ca 0.01 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1t69 h LEU 160 Cb 0.04 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1t69 h LEU 160 CO -0.00 0.22 -0.09 1.23 0.09 0.00 0.00 178.44 179.88 1t69 h GLY 161 N 0.39 0.19 0.97 0.83 0.00 0.47 -2.95 103.07 102.98 1t69 h GLY 161 Ca 0.26 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 1t69 h GLY 161 CO -0.07 0.19 0.24 -2.22 0.00 0.00 0.00 176.54 174.68 1t69 h ILE 162 N -0.29 1.20 -0.34 2.60 2.04 0.38 -1.58 117.51 121.53 1t69 h ILE 162 Ca 0.01 -0.58 0.02 0.00 1.00 0.00 0.00 64.86 65.31 1t69 h ILE 162 Cb 0.64 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1t69 h ILE 162 CO 0.02 0.23 0.18 -0.07 0.00 0.00 0.00 178.15 178.50 1t69 h LEU 163 N 0.68 0.27 -0.48 1.44 3.38 -0.94 -1.08 115.31 118.59 1t69 h LEU 163 Ca 0.17 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1t69 h LEU 163 Cb 0.14 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1t69 h LEU 163 CO -0.02 0.20 0.31 -0.09 0.09 0.00 0.00 178.44 178.93 1t69 h ARG 164 N 0.36 0.63 -0.14 1.13 9.65 -1.45 -2.11 114.38 122.46 1t69 h ARG 164 Ca 0.14 -0.04 0.04 0.00 -1.10 0.00 0.00 59.98 59.01 1t69 h ARG 164 Cb 0.04 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.47 1t69 h ARG 164 CO -0.09 0.43 0.12 -0.07 2.80 0.00 0.00 179.97 183.16 1t69 h LEU 165 N 0.64 0.00 0.00 3.80 3.38 -0.68 -2.32 115.31 120.14 1t69 h LEU 165 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1t69 h LEU 165 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1t69 h LEU 165 CO -0.04 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.03 1t69 n ARG 166 N -4.10 0.84 0.11 1.13 1.74 -0.46 -1.92 116.66 114.01 1t69 n ARG 166 Ca 0.00 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.89 1t69 n ARG 166 Cb 0.24 -1.43 -0.15 0.00 -1.02 0.00 0.00 32.46 30.11 1t69 n ARG 166 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1t69 h ARG 167 N 0.00 0.38 0.00 5.56 3.08 -1.51 -3.40 114.38 118.48 1t69 h ARG 167 Ca 0.00 -0.64 -0.35 0.00 0.07 0.00 0.00 59.98 59.06 1t69 h ARG 167 Cb 0.00 0.24 -0.06 0.00 0.08 0.00 0.00 29.97 30.23 1t69 h ARG 167 CO 0.00 1.30 -2.29 1.17 -1.07 0.00 0.00 179.97 179.08 1t69 n LYS 168 N -3.59 0.55 -3.69 0.04 4.81 -1.19 -5.00 118.16 110.09 1t69 n LYS 168 Ca -0.13 0.15 -0.37 0.00 -0.87 0.00 0.00 58.31 57.09 1t69 n LYS 168 Cb 1.06 -1.43 -0.06 0.00 0.02 0.00 0.00 35.03 34.63 1t69 n LYS 168 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1t69 s PHE 169 N -2.45 3.64 -0.04 5.64 0.40 -0.81 -5.06 117.98 119.32 1t69 s PHE 169 Ca -0.31 0.74 -0.01 0.00 -0.60 0.00 0.00 56.93 56.75 1t69 s PHE 169 Cb 0.09 -2.10 -0.00 0.00 0.51 0.00 0.00 43.02 41.51 1t69 s PHE 169 CO 0.50 0.66 -0.02 0.93 0.70 0.00 0.00 175.22 177.99 1t69 h GLU 170 N 4.57 0.00 -5.26 0.44 3.07 -1.86 -3.38 114.58 112.16 1t69 h GLU 170 Ca -0.52 0.00 -0.62 0.00 -0.50 0.00 0.00 59.36 57.71 1t69 h GLU 170 Cb 1.22 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 28.99 1t69 h GLU 170 CO 0.62 0.00 -0.12 1.03 -1.40 0.00 0.00 179.01 179.14 1t69 s ARG 171 N -1.24 4.03 -0.02 2.33 0.52 -1.26 -4.79 118.95 118.51 1t69 s ARG 171 Ca -0.02 0.17 0.02 0.00 -0.52 0.00 0.00 55.73 55.39 1t69 s ARG 171 Cb 0.00 -3.66 -0.03 0.00 0.52 0.00 0.00 34.95 31.78 1t69 s ARG 171 CO 0.02 -0.33 -0.05 0.42 0.02 0.00 0.00 175.30 175.38 1t69 s ILE 172 N 2.20 3.78 -0.14 1.52 1.09 -1.01 0.11 121.20 128.75 1t69 s ILE 172 Ca 0.18 -0.63 0.02 0.00 -1.10 0.00 0.00 60.65 59.12 1t69 s ILE 172 Cb -0.16 -2.62 0.01 0.00 -1.06 0.00 0.00 42.46 38.64 1t69 s ILE 172 CO 0.10 0.46 -0.18 -0.22 -0.10 0.00 0.00 174.94 175.00 1t69 s LEU 173 N -1.23 1.93 -0.22 2.97 2.96 -0.78 -0.92 118.68 123.40 1t69 s LEU 173 Ca 0.16 -0.54 -0.10 0.00 -0.22 0.00 0.00 54.13 53.43 1t69 s LEU 173 Cb -0.11 -1.31 -0.05 0.00 0.50 0.00 0.00 46.19 45.22 1t69 s LEU 173 CO 0.06 0.03 0.14 -0.47 -1.32 0.00 0.00 176.35 174.78 1t69 s TYR 174 N 1.05 3.35 -0.09 5.38 5.04 0.26 -0.16 117.35 132.18 1t69 s TYR 174 Ca -0.03 0.26 0.03 0.00 -2.44 0.00 0.00 57.07 54.89 1t69 s TYR 174 Cb -0.14 -2.20 -0.01 0.00 0.35 0.00 0.00 41.96 39.96 1t69 s TYR 174 CO -0.05 0.18 -0.20 0.08 -1.34 0.00 0.00 175.55 174.22 1t69 s VAL 175 N 0.66 2.44 -0.35 3.14 1.01 -0.34 -0.11 120.40 126.85 1t69 s VAL 175 Ca 0.07 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.17 1t69 s VAL 175 Cb -0.12 -1.95 0.11 0.00 0.00 0.00 0.00 36.38 34.41 1t69 s VAL 175 CO 0.01 0.56 0.11 -0.62 0.00 0.00 0.00 175.10 175.15 1t69 s ASP 176 N 0.09 4.30 -0.14 3.32 -1.08 0.25 -1.28 116.67 122.13 1t69 s ASP 176 Ca -0.09 -2.06 0.16 0.00 -0.52 0.00 0.00 52.55 50.03 1t69 s ASP 176 Cb -0.15 -1.24 0.60 0.00 -1.46 0.00 0.00 42.92 40.66 1t69 s ASP 176 CO 0.06 -0.37 1.51 0.18 0.52 0.00 0.00 175.17 177.07 1t69 n LEU 177 N 4.33 4.29 -4.79 -1.34 4.77 -0.18 -0.61 117.00 123.48 1t69 n LEU 177 Ca 0.02 -2.65 -0.34 0.00 -0.03 0.00 0.00 56.01 53.00 1t69 n LEU 177 Cb 0.40 -0.52 -0.01 0.00 -2.33 0.00 0.00 43.42 40.96 1t69 n LEU 177 CO 0.19 0.72 0.75 -0.62 -1.33 0.00 0.00 177.39 177.09 1t69 s ASP 178 N -1.27 6.00 0.46 -1.43 3.68 -1.24 -4.39 116.67 118.48 1t69 s ASP 178 Ca 0.44 2.03 0.26 0.00 2.13 0.00 0.00 52.55 57.41 1t69 s ASP 178 Cb 0.31 -2.57 1.30 0.00 -1.45 0.00 0.00 42.92 40.51 1t69 s ASP 178 CO 0.16 -1.02 1.79 0.25 0.13 0.00 0.00 175.17 176.48 1t69 h LEU 179 N 1.28 0.25-10.29 -1.34 5.85 -1.83 -3.41 115.31 105.83 1t69 h LEU 179 Ca -0.49 0.05 -0.45 0.00 0.84 0.00 0.00 57.88 57.82 1t69 h LEU 179 Cb 1.24 0.01 0.01 0.00 0.37 0.00 0.00 40.66 42.29 1t69 h LEU 179 CO 0.58 0.04 -0.28 -1.00 -0.34 0.00 0.00 178.44 177.43 1t69 s HIS 180 N -5.26 3.27 0.12 1.25 3.76 -1.26 -1.91 115.29 115.26 1t69 s HIS 180 Ca -0.07 0.01 -0.31 0.00 -0.15 0.00 0.00 55.06 54.54 1t69 s HIS 180 Cb 0.24 -1.96 -0.08 0.00 1.11 0.00 0.00 32.58 31.90 1t69 s HIS 180 CO 0.80 0.03 1.33 -1.58 -0.85 0.00 0.00 174.74 174.47 1t69 s HIS 181 N -2.24 3.29 0.00 1.40 2.46 -1.26 -4.76 115.29 114.19 1t69 s HIS 181 Ca 0.43 1.09 -0.03 0.00 0.47 0.00 0.00 55.06 57.01 1t69 s HIS 181 Cb -0.10 -3.60 -0.13 0.00 -0.13 0.00 0.00 32.58 28.62 1t69 s HIS 181 CO 0.33 -2.02 2.27 0.41 -2.47 0.00 0.00 174.74 173.25 1t69 n GLY 182 N 3.20 2.24 0.38 1.59 0.00 -1.26 -4.70 105.19 106.64 1t69 n GLY 182 Ca 0.10 -0.57 0.15 0.00 0.00 0.00 0.00 46.02 45.70 1t69 n GLY 182 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1t69 h ASP 183 N 3.22 0.61 0.49 1.61 -0.00 -1.88 0.75 116.42 121.22 1t69 h ASP 183 Ca 0.09 0.06 -0.14 0.00 -0.00 0.00 0.00 57.03 57.04 1t69 h ASP 183 Cb 0.95 -0.06 -0.02 0.00 -0.00 0.00 0.00 39.33 40.21 1t69 h ASP 183 CO 0.21 0.26 -0.60 1.23 -0.00 0.00 0.00 179.24 180.33 1t69 h GLY 184 N 0.62 0.12 0.92 7.15 0.00 -1.05 0.30 103.07 111.14 1t69 h GLY 184 Ca 0.50 -0.15 -0.20 0.00 0.00 0.00 0.00 47.33 47.48 1t69 h GLY 184 CO -0.25 0.14 -0.79 -2.08 0.00 0.00 0.00 176.54 173.56 1t69 h VAL 185 N 0.08 1.38 -0.14 4.60 2.07 -0.94 -3.05 116.25 120.25 1t69 h VAL 185 Ca -0.01 -2.19 0.04 0.00 0.82 0.00 0.00 66.70 65.36 1t69 h VAL 185 Cb 1.08 2.60 -0.04 0.00 -1.52 0.00 0.00 31.29 33.42 1t69 h VAL 185 CO 0.09 0.65 -0.08 -0.08 0.02 0.00 0.00 177.57 178.16 1t69 h GLU 186 N 0.03 -0.07 -0.40 1.57 4.81 -0.81 -2.87 114.58 116.84 1t69 h GLU 186 Ca -0.11 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.21 1t69 h GLU 186 Cb 1.49 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.81 1t69 h GLU 186 CO 0.15 -0.05 -0.15 -0.44 -0.73 0.00 0.00 179.01 177.80 1t69 h ASP 187 N -0.07 -0.52 0.09 1.04 3.45 -0.47 -0.62 116.42 119.31 1t69 h ASP 187 Ca 0.08 0.14 -0.08 0.00 0.43 0.00 0.00 57.03 57.60 1t69 h ASP 187 Cb 0.20 0.31 -0.01 0.00 -0.56 0.00 0.00 39.33 39.26 1t69 h ASP 187 CO -0.19 -0.18 -0.26 0.00 -1.57 0.00 0.00 179.24 177.04 1t69 h ALA 188 N 1.29 1.27 -0.14 3.45 0.00 -1.40 -2.90 119.26 120.83 1t69 h ALA 188 Ca 0.20 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1t69 h ALA 188 Cb 0.37 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1t69 h ALA 188 CO -0.45 0.49 0.00 1.19 0.00 0.00 0.00 179.25 180.48 1t69 n PHE 189 N -4.15 0.48 0.15 0.00 3.01 -1.11 -4.54 117.46 111.30 1t69 n PHE 189 Ca -0.01 -0.90 0.02 0.00 1.01 0.00 0.00 57.45 57.57 1t69 n PHE 189 Cb 0.38 -0.22 0.17 0.00 -0.01 0.00 0.00 39.48 39.79 1t69 n PHE 189 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1t69 h SER 190 N 0.97 0.00 0.57 4.37 4.64 -0.89 -3.26 113.55 119.95 1t69 h SER 190 Ca 0.00 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.04 1t69 h SER 190 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1t69 h SER 190 CO 0.11 0.53 -1.33 -0.26 -0.87 0.00 0.00 176.83 175.01 1t69 h PHE 191 N 0.00 0.49 -3.33 4.77 0.05 -1.78 -2.07 116.94 115.06 1t69 h PHE 191 Ca -0.01 -0.36 -0.50 0.00 3.82 0.00 0.00 57.97 60.93 1t69 h PHE 191 Cb 1.17 -0.02 0.01 0.00 2.00 0.00 0.00 35.95 39.11 1t69 h PHE 191 CO 0.00 1.31 -0.03 -0.08 -0.18 0.00 0.00 178.31 179.33 1t69 s THR 192 N -2.64 4.96 -1.97 -1.55 -1.32 -1.23 0.65 115.64 112.53 1t69 s THR 192 Ca -0.05 0.12 0.16 0.00 -1.21 0.00 0.00 61.69 60.70 1t69 s THR 192 Cb 0.07 -3.79 0.15 0.00 -1.51 0.00 0.00 72.50 67.41 1t69 s THR 192 CO 0.88 -0.55 1.03 -1.54 -2.21 0.00 0.00 174.62 172.23 1t69 n SER 193 N -1.52 2.40 -0.43 8.08 3.41 -1.25 -4.01 113.62 120.30 1t69 n SER 193 Ca -0.01 -1.69 0.14 0.00 -0.26 0.00 0.00 58.87 57.05 1t69 n SER 193 Cb 0.55 -0.02 0.55 0.00 -0.26 0.00 0.00 64.21 65.03 1t69 n SER 193 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1t69 n LYS 194 N 0.91 1.58 -3.78 4.33 4.76 -1.26 -4.76 118.16 119.95 1t69 n LYS 194 Ca 0.10 -0.85 -0.13 0.00 -2.87 0.00 0.00 58.31 54.56 1t69 n LYS 194 Cb 0.41 -1.46 -0.13 0.00 -1.84 0.00 0.00 35.03 32.00 1t69 n LYS 194 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1t69 s VAL 195 N -1.97 -0.02 -0.03 -0.18 1.01 -1.26 -2.40 120.40 115.55 1t69 s VAL 195 Ca 0.38 0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.51 1t69 s VAL 195 Cb 0.20 -0.27 -0.02 0.00 0.00 0.00 0.00 36.38 36.29 1t69 s VAL 195 CO 0.32 0.03 -0.24 -0.32 0.00 0.00 0.00 175.10 174.90 1t69 s MET 196 N 0.62 2.24 -0.17 2.72 1.75 -0.10 -4.88 119.30 121.48 1t69 s MET 196 Ca -0.04 -0.88 -0.00 0.00 -1.25 0.00 0.00 55.69 53.51 1t69 s MET 196 Cb -0.06 -2.12 0.00 0.00 2.84 0.00 0.00 34.83 35.50 1t69 s MET 196 CO -0.03 0.55 -0.15 0.95 -0.65 0.00 0.00 175.02 175.69 1t69 s THR 197 N -0.57 2.60 -0.28 10.11 -4.23 -1.23 0.92 115.64 122.96 1t69 s THR 197 Ca 0.09 -0.78 -0.05 0.00 -1.18 0.00 0.00 61.69 59.77 1t69 s THR 197 Cb -0.11 -2.11 0.02 0.00 1.34 0.00 0.00 72.50 71.64 1t69 s THR 197 CO -0.00 0.51 0.03 -0.69 -0.54 0.00 0.00 174.62 173.93 1t69 s VAL 198 N 1.03 3.55 -0.11 2.29 1.01 0.84 0.86 120.40 129.87 1t69 s VAL 198 Ca -0.01 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1t69 s VAL 198 Cb -0.15 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 1t69 s VAL 198 CO -0.04 0.10 -0.13 -0.55 0.00 0.00 0.00 175.10 174.49 1t69 s SER 199 N 1.43 4.06 -0.22 3.32 0.15 -1.00 0.84 113.70 122.29 1t69 s SER 199 Ca 0.01 -0.29 0.02 0.00 0.70 0.00 0.00 55.95 56.40 1t69 s SER 199 Cb -0.17 -1.46 0.04 0.00 -1.71 0.00 0.00 66.02 62.71 1t69 s SER 199 CO -0.00 0.20 -0.15 -0.76 1.20 0.00 0.00 173.24 173.73 1t69 s LEU 200 N 0.12 2.71 0.34 3.45 1.02 0.22 -0.23 118.68 126.31 1t69 s LEU 200 Ca -0.06 -1.00 -0.10 0.00 0.02 0.00 0.00 54.13 52.99 1t69 s LEU 200 Cb -0.15 -1.48 0.02 0.00 0.02 0.00 0.00 46.19 44.60 1t69 s LEU 200 CO 0.05 -0.10 0.60 -1.38 0.02 0.00 0.00 176.35 175.54 1t69 s HIS 201 N 1.22 0.54 0.28 0.29 -3.43 -0.75 -4.33 115.29 109.11 1t69 s HIS 201 Ca -0.02 -0.96 -0.28 0.00 -0.80 0.00 0.00 55.06 53.00 1t69 s HIS 201 Cb -0.16 0.33 -0.09 0.00 -1.43 0.00 0.00 32.58 31.22 1t69 s HIS 201 CO -0.09 -1.27 0.96 0.21 -2.00 0.00 0.00 174.74 172.55 1t69 s LYS 202 N -3.02 4.72 -0.08 -0.38 2.20 -0.81 -0.45 119.74 121.93 1t69 s LYS 202 Ca 0.23 1.46 -0.01 0.00 -0.36 0.00 0.00 55.97 57.28 1t69 s LYS 202 Cb -0.02 -3.08 0.03 0.00 -1.51 0.00 0.00 37.83 33.25 1t69 s LYS 202 CO 0.14 0.39 0.00 0.12 -0.36 0.00 0.00 175.35 175.65 1t69 s PHE 203 N -1.35 0.72 -0.29 4.03 2.19 -1.12 -4.72 117.98 117.44 1t69 s PHE 203 Ca 0.45 -0.25 -0.16 0.00 0.33 0.00 0.00 56.93 57.30 1t69 s PHE 203 Cb -0.24 -0.84 0.18 0.00 -1.31 0.00 0.00 43.02 40.82 1t69 s PHE 203 CO 0.30 -0.36 1.12 0.45 1.83 0.00 0.00 175.22 178.55 1t69 s SER 204 N 1.96 -0.29 0.33 6.13 0.15 -1.26 -4.80 113.70 115.92 1t69 s SER 204 Ca 0.04 0.46 -0.29 0.00 0.70 0.00 0.00 55.95 56.86 1t69 s SER 204 Cb -0.13 1.13 -0.11 0.00 -1.71 0.00 0.00 66.02 65.21 1t69 s SER 204 CO -0.06 -0.07 1.40 -2.84 1.20 0.00 0.00 173.24 172.87 1t69 s PRO 205 N 1.23 4.25 0.00 5.44 0.02 -1.26 -1.33 135.00 143.36 1t69 s PRO 205 Ca -0.08 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.30 1t69 s PRO 205 Cb -0.03 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.45 1t69 s PRO 205 CO -0.12 -0.36 0.00 0.41 -0.33 0.00 0.00 177.00 176.60 1t69 n GLY 206 N 1.02 3.02 3.58 0.52 0.00 -1.26 -5.04 105.19 107.04 1t69 n GLY 206 Ca 0.02 -0.60 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 1t69 n GLY 206 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1t69 s PHE 207 N -1.58 2.75 0.20 1.61 5.36 -0.44 -4.93 117.98 120.94 1t69 s PHE 207 Ca 0.00 0.53 -0.24 0.00 -0.96 0.00 0.00 56.93 56.25 1t69 s PHE 207 Cb 0.00 -4.40 -0.15 0.00 -0.34 0.00 0.00 43.02 38.13 1t69 s PHE 207 CO 0.00 -1.38 0.43 0.34 -1.46 0.00 0.00 175.22 173.15 1t69 n PHE 208 N 7.97 -0.58 1.47 10.12 -0.00 -1.26 -1.97 117.46 133.22 1t69 n PHE 208 Ca 0.09 0.84 0.12 0.00 -0.00 0.00 0.00 57.45 58.50 1t69 n PHE 208 Cb 0.49 -1.74 0.50 0.00 -0.00 0.00 0.00 39.48 38.73 1t69 n PHE 208 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1t69 n PRO 209 N 0.92 1.57 -3.61 -7.13 -0.04 -1.26 -4.62 135.00 120.83 1t69 n PRO 209 Ca 0.16 -0.84 -0.24 0.00 -0.04 0.00 0.00 63.50 62.53 1t69 n PRO 209 Cb 0.24 -1.43 0.08 0.00 -0.04 0.00 0.00 33.50 32.35 1t69 n PRO 209 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1t69 n GLY 210 N 1.10 -0.53 3.34 0.55 0.00 -0.83 -5.02 105.19 103.80 1t69 n GLY 210 Ca 0.18 0.24 -0.18 0.00 0.00 0.00 0.00 46.02 46.26 1t69 n GLY 210 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t69 s THR 211 N -3.32 1.33 -0.03 2.61 -4.23 -1.26 -5.02 115.64 105.72 1t69 s THR 211 Ca 0.55 -2.09 -0.00 0.00 -1.18 0.00 0.00 61.69 58.97 1t69 s THR 211 Cb -0.25 -2.24 -0.00 0.00 1.34 0.00 0.00 72.50 71.36 1t69 s THR 211 CO 0.74 -0.44 0.02 0.61 -0.54 0.00 0.00 174.62 175.01 1t69 n GLY 212 N -0.42 0.27 3.90 3.99 0.00 -1.26 -4.85 105.19 106.83 1t69 n GLY 212 Ca -0.07 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 1t69 n GLY 212 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1t69 s ASP 213 N -2.52 5.13 0.25 1.61 -1.08 -1.26 -4.74 116.67 114.05 1t69 s ASP 213 Ca 0.01 0.87 -0.06 0.00 -0.52 0.00 0.00 52.55 52.85 1t69 s ASP 213 Cb -0.00 -1.60 0.46 0.00 -1.46 0.00 0.00 42.92 40.32 1t69 s ASP 213 CO 0.02 -1.48 1.65 1.62 0.52 0.00 0.00 175.17 177.50 1t69 h VAL 214 N -0.67 0.38 -1.31 1.11 3.04 -1.96 -1.00 116.25 115.84 1t69 h VAL 214 Ca -0.45 -0.05 0.40 0.00 -1.01 0.00 0.00 66.70 65.58 1t69 h VAL 214 Cb 1.28 0.22 -0.10 0.00 -2.01 0.00 0.00 31.29 30.69 1t69 h VAL 214 CO 0.63 0.03 0.88 0.77 -1.01 0.00 0.00 177.57 178.87 1t69 h SER 215 N 0.15 0.22 -3.40 3.17 4.64 -1.93 -3.40 113.55 112.98 1t69 h SER 215 Ca 0.42 0.08 -0.57 0.00 -0.47 0.00 0.00 61.79 61.26 1t69 h SER 215 Cb 0.75 0.06 -0.06 0.00 -0.31 0.00 0.00 62.40 62.84 1t69 h SER 215 CO -0.62 -0.06 1.02 -1.81 -0.87 0.00 0.00 176.83 174.48 1t69 s ASP 216 N -4.72 6.45 0.00 4.97 1.11 -0.38 -4.82 116.67 119.28 1t69 s ASP 216 Ca -0.07 0.74 0.00 0.00 0.18 0.00 0.00 52.55 53.40 1t69 s ASP 216 Cb 0.27 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.72 1t69 s ASP 216 CO 0.82 -1.35 0.25 1.33 1.18 0.00 0.00 175.17 177.40 1t69 n VAL 217 N 6.94 0.00 0.00 -1.27 0.24 -1.26 -4.51 118.33 118.48 1t69 n VAL 217 Ca 0.15 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 1t69 n VAL 217 Cb 0.48 1.46 0.00 0.00 -1.47 0.00 0.00 33.84 34.32 1t69 n VAL 217 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1t69 n GLY 218 N 0.02 2.34 3.48 7.63 0.00 -1.26 -0.71 105.19 116.68 1t69 n GLY 218 Ca 0.00 -1.77 -0.24 0.00 0.00 0.00 0.00 46.02 44.01 1t69 n GLY 218 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t69 s LEU 219 N 0.00 2.63 0.00 0.99 1.02 -0.78 -3.96 118.68 118.58 1t69 s LEU 219 Ca 0.00 -1.11 0.00 0.00 0.02 0.00 0.00 54.13 53.04 1t69 s LEU 219 Cb 0.00 -0.97 0.00 0.00 0.02 0.00 0.00 46.19 45.24 1t69 s LEU 219 CO 0.00 -0.11 0.00 0.61 0.02 0.00 0.00 176.35 176.87 1t69 n GLY 220 N -0.66 1.92 0.15 -3.19 0.00 -1.26 -2.54 105.19 99.61 1t69 n GLY 220 Ca -0.05 -0.57 0.08 0.00 0.00 0.00 0.00 46.02 45.48 1t69 n GLY 220 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1t69 n LYS 221 N 10.61 0.11 -1.56 1.61 -0.00 -1.15 -1.84 118.16 125.94 1t69 n LYS 221 Ca 0.00 0.59 -0.10 0.00 -0.00 0.00 0.00 58.31 58.80 1t69 n LYS 221 Cb 0.00 -1.98 0.09 0.00 -0.00 0.00 0.00 35.03 33.14 1t69 n LYS 221 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1t69 n GLY 222 N -1.30 5.24 3.77 2.58 0.00 0.21 -3.89 105.19 111.80 1t69 n GLY 222 Ca -0.01 -1.94 -0.39 0.00 0.00 0.00 0.00 46.02 43.68 1t69 n GLY 222 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1t69 s ARG 223 N -3.27 4.18 0.00 1.61 3.52 -0.77 -2.22 118.95 122.00 1t69 s ARG 223 Ca 0.43 1.94 0.00 0.00 -0.13 0.00 0.00 55.73 57.97 1t69 s ARG 223 Cb 0.39 -2.83 0.00 0.00 -1.56 0.00 0.00 34.95 30.95 1t69 s ARG 223 CO -0.02 -0.24 0.00 0.66 -0.81 0.00 0.00 175.30 174.89 1t69 n TYR 224 N 0.37 0.00 -0.68 5.12 4.01 0.11 -4.87 117.16 121.22 1t69 n TYR 224 Ca 0.03 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.59 1t69 n TYR 224 Cb 0.45 -0.13 0.07 0.00 -0.31 0.00 0.00 39.34 39.43 1t69 n TYR 224 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1t69 n TYR 225 N -2.00 1.84 -3.41 -0.72 4.02 -0.94 -4.64 117.16 111.31 1t69 n TYR 225 Ca 0.00 -1.79 -0.12 0.00 -0.01 0.00 0.00 57.90 55.98 1t69 n TYR 225 Cb 0.00 -0.88 -0.10 0.00 -0.02 0.00 0.00 39.34 38.34 1t69 n TYR 225 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1t69 s SER 226 N -0.27 0.58 0.04 7.72 0.01 -0.87 -3.47 113.70 117.44 1t69 s SER 226 Ca 0.36 0.12 -0.06 0.00 1.31 0.00 0.00 55.95 57.67 1t69 s SER 226 Cb 0.29 0.89 -0.05 0.00 0.21 0.00 0.00 66.02 67.36 1t69 s SER 226 CO 0.02 -0.30 0.30 -0.69 0.41 0.00 0.00 173.24 172.98 1t69 s VAL 227 N 2.48 5.25 -0.13 3.43 1.01 0.25 -4.21 120.40 128.48 1t69 s VAL 227 Ca 0.10 0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.21 1t69 s VAL 227 Cb -0.15 -3.59 0.06 0.00 0.00 0.00 0.00 36.38 32.70 1t69 s VAL 227 CO -0.14 0.30 0.18 0.20 0.00 0.00 0.00 175.10 175.63 1t69 s ASN 228 N -1.86 1.05 -0.43 3.32 0.01 -1.26 -2.36 114.94 113.41 1t69 s ASN 228 Ca 0.31 0.11 -0.09 0.00 -0.71 0.00 0.00 52.86 52.48 1t69 s ASN 228 Cb -0.13 0.29 0.09 0.00 0.41 0.00 0.00 41.25 41.91 1t69 s ASN 228 CO 0.18 -0.28 0.28 -0.69 -1.51 0.00 0.00 177.10 175.08 1t69 s VAL 229 N 2.30 4.19 0.03 1.60 1.01 0.69 -3.79 120.40 126.43 1t69 s VAL 229 Ca 0.04 -1.52 -0.30 0.00 0.00 0.00 0.00 61.98 60.20 1t69 s VAL 229 Cb -0.13 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1t69 s VAL 229 CO -0.08 -0.58 0.98 -2.84 0.00 0.00 0.00 175.10 172.58 1t69 s PRO 230 N 1.40 4.60 0.05 2.72 0.02 -1.26 -1.80 135.00 140.73 1t69 s PRO 230 Ca 0.04 1.44 0.02 0.00 0.02 0.00 0.00 61.00 62.51 1t69 s PRO 230 Cb -0.24 -3.43 -0.03 0.00 0.02 0.00 0.00 34.50 30.82 1t69 s PRO 230 CO 0.01 0.02 -0.07 0.42 -0.33 0.00 0.00 177.00 177.05 1t69 s ILE 231 N 0.72 0.51 0.45 2.83 1.01 0.40 -4.89 121.20 122.24 1t69 s ILE 231 Ca 0.51 -1.32 0.07 0.00 0.00 0.00 0.00 60.65 59.91 1t69 s ILE 231 Cb -0.22 -0.89 -0.01 0.00 0.01 0.00 0.00 42.46 41.35 1t69 s ILE 231 CO 0.29 -0.55 0.35 -1.10 0.00 0.00 0.00 174.94 173.93 1t69 s GLN 232 N -2.27 2.41 0.72 2.79 -1.52 -1.26 -2.78 119.66 117.74 1t69 s GLN 232 Ca -0.04 -1.70 -0.16 0.00 -1.95 0.00 0.00 55.36 51.50 1t69 s GLN 232 Cb -0.05 -2.25 -0.05 0.00 -0.22 0.00 0.00 33.01 30.44 1t69 s GLN 232 CO -0.02 -0.28 0.41 -0.25 -0.25 0.00 0.00 175.29 174.90 1t69 n ASP 233 N -1.55 -1.63 0.00 5.90 8.00 -1.26 -4.06 116.55 121.96 1t69 n ASP 233 Ca 0.02 0.58 0.00 0.00 0.71 0.00 0.00 54.79 56.10 1t69 n ASP 233 Cb 0.63 -1.16 0.00 0.00 -0.02 0.00 0.00 41.12 40.56 1t69 n ASP 233 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1t69 n GLY 234 N 1.80 3.21 3.67 0.44 0.00 -0.36 -1.17 105.19 112.79 1t69 n GLY 234 Ca 0.09 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.62 1t69 n GLY 234 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1t69 n ILE 235 N -1.15 0.31 -2.47 -0.61 3.06 -1.26 -4.31 119.36 112.93 1t69 n ILE 235 Ca 0.00 -0.06 0.00 0.00 -2.50 0.00 0.00 62.75 60.19 1t69 n ILE 235 Cb 0.00 -1.57 0.00 0.00 0.54 0.00 0.00 39.64 38.61 1t69 n ILE 235 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1t69 n GLN 236 N 5.10 1.26 0.34 9.51 1.13 -1.26 -0.58 117.38 132.88 1t69 n GLN 236 Ca 0.21 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 55.14 1t69 n GLN 236 Cb 0.26 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.54 1t69 n GLN 236 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 1t69 h ASP 237 N 0.00 -0.73 -0.07 1.08 3.32 -1.93 -2.46 116.42 115.63 1t69 h ASP 237 Ca 0.00 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.08 1t69 h ASP 237 Cb 0.00 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1t69 h ASP 237 CO 0.00 -0.48 -0.04 1.21 -1.72 0.00 0.00 179.24 178.21 1t69 n GLU 238 N -4.56 -0.03 0.05 3.56 0.00 -1.26 -0.65 120.64 117.75 1t69 n GLU 238 Ca -0.11 0.22 -0.08 0.00 0.00 0.00 0.00 57.16 57.19 1t69 n GLU 238 Cb 0.34 -0.33 0.07 0.00 0.00 0.00 0.00 31.44 31.52 1t69 n GLU 238 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1t69 h LYS 239 N 0.00 0.40 -0.13 5.31 1.63 -1.97 -3.04 116.57 118.76 1t69 h LYS 239 Ca 0.01 -0.28 -0.02 0.00 -0.85 0.00 0.00 60.65 59.50 1t69 h LYS 239 Cb 0.03 0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 31.70 1t69 h LYS 239 CO -0.07 0.90 -0.00 -0.92 -3.45 0.00 0.00 179.45 175.91 1t69 h TYR 240 N 0.29 0.26 -0.54 1.91 5.03 -0.48 -2.58 116.97 120.87 1t69 h TYR 240 Ca -0.01 -0.05 0.08 0.00 2.58 0.00 0.00 58.73 61.34 1t69 h TYR 240 Cb 1.17 -0.07 -0.03 0.00 1.55 0.00 0.00 36.73 39.35 1t69 h TYR 240 CO 0.04 0.48 0.36 -0.92 -1.32 0.00 0.00 178.16 176.80 1t69 h TYR 241 N -0.03 0.40 0.66 -3.82 -0.00 -0.94 -0.69 116.97 112.56 1t69 h TYR 241 Ca 0.04 0.01 -0.03 0.00 -0.00 0.00 0.00 58.73 58.75 1t69 h TYR 241 Cb 0.38 -0.13 0.01 0.00 -0.00 0.00 0.00 36.73 36.98 1t69 h TYR 241 CO 0.04 0.20 -0.32 1.96 -0.00 0.00 0.00 178.16 180.04 1t69 h GLN 242 N 0.39 -0.86 -0.84 1.82 1.08 -1.36 0.61 115.11 115.95 1t69 h GLN 242 Ca 0.25 0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.49 1t69 h GLN 242 Cb 0.46 0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 28.04 1t69 h GLN 242 CO -0.06 -0.56 0.47 0.82 -0.95 0.00 0.00 178.83 178.55 1t69 h ILE 243 N -0.94 1.24 0.18 2.54 2.04 -1.10 -0.06 117.51 121.41 1t69 h ILE 243 Ca -0.09 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 1t69 h ILE 243 Cb 0.70 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1t69 h ILE 243 CO 0.15 0.27 -0.08 0.00 0.00 0.00 0.00 178.15 178.48 1t69 h GLU 245 N -0.66 1.14 0.00 0.00 4.81 0.36 -1.77 114.58 118.46 1t69 h GLU 245 Ca -0.02 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1t69 h GLU 245 Cb 0.48 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1t69 h GLU 245 CO 0.04 0.76 0.00 0.43 -0.73 0.00 0.00 179.01 179.51 1t69 n SER 246 N -4.40 0.00 -0.32 1.04 7.64 -0.05 -2.25 113.62 115.28 1t69 n SER 246 Ca 0.10 0.47 -0.09 0.00 1.01 0.00 0.00 58.87 60.36 1t69 n SER 246 Cb 0.03 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.15 1t69 n SER 246 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1t69 h VAL 247 N 0.00 0.00 -0.85 0.44 2.07 -1.29 -0.93 116.25 115.69 1t69 h VAL 247 Ca 0.00 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.66 1t69 h VAL 247 Cb 0.00 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.71 1t69 h VAL 247 CO 0.00 0.00 0.55 -0.07 0.02 0.00 0.00 177.57 178.07 1t69 h LEU 248 N -0.02 0.61 -0.31 2.57 3.38 -1.44 0.17 115.31 120.28 1t69 h LEU 248 Ca 0.12 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.15 1t69 h LEU 248 Cb 0.34 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1t69 h LEU 248 CO -0.74 0.32 0.15 0.50 0.09 0.00 0.00 178.44 178.77 1t69 h LYS 249 N 0.66 0.31 -0.03 1.13 3.64 -0.72 0.39 116.57 121.95 1t69 h LYS 249 Ca 0.42 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.59 1t69 h LYS 249 Cb 0.69 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 1t69 h LYS 249 CO -0.18 0.21 -0.80 0.93 -2.27 0.00 0.00 179.45 177.34 1t69 h GLU 250 N 0.32 0.30 0.06 1.90 4.39 -0.86 -2.53 114.58 118.16 1t69 h GLU 250 Ca 0.13 -0.28 -0.00 0.00 0.34 0.00 0.00 59.36 59.54 1t69 h GLU 250 Cb 0.04 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1t69 h GLU 250 CO -0.08 0.95 -0.03 0.28 -1.16 0.00 0.00 179.01 178.97 1t69 h VAL 251 N 0.19 1.13 -0.20 3.13 2.07 -0.42 -2.33 116.25 119.82 1t69 h VAL 251 Ca -0.04 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1t69 h VAL 251 Cb 1.39 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1t69 h VAL 251 CO 0.13 0.16 0.13 0.22 0.02 0.00 0.00 177.57 178.23 1t69 h TYR 252 N -0.37 0.26 -0.84 1.57 3.20 -0.25 0.69 116.97 121.23 1t69 h TYR 252 Ca -0.01 0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.93 1t69 h TYR 252 Cb 0.33 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.45 1t69 h TYR 252 CO 0.02 0.18 0.52 1.96 -1.64 0.00 0.00 178.16 179.20 1t69 h GLN 253 N 0.27 0.93 0.06 1.82 1.08 -1.50 0.32 115.11 118.08 1t69 h GLN 253 Ca 0.07 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1t69 h GLN 253 Cb -0.02 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.21 1t69 h GLN 253 CO -0.02 0.61 -0.03 0.00 -0.95 0.00 0.00 178.83 178.45 1t69 h ALA 254 N 1.40 -0.07 -0.45 3.87 0.00 -1.16 -3.38 119.26 119.46 1t69 h ALA 254 Ca 0.37 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.08 1t69 h ALA 254 Cb 0.16 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1t69 h ALA 254 CO -0.17 -0.07 -0.14 0.35 0.00 0.00 0.00 179.25 179.21 1t69 h PHE 255 N -1.01 0.93 -5.95 0.00 3.57 0.35 -3.42 116.94 111.41 1t69 h PHE 255 Ca -0.01 -0.19 -0.21 0.00 3.53 0.00 0.00 57.97 61.09 1t69 h PHE 255 Cb 0.20 -0.23 0.01 0.00 2.79 0.00 0.00 35.95 38.71 1t69 h PHE 255 CO 0.04 0.92 -0.48 -1.71 -2.23 0.00 0.00 178.31 174.85 1t69 n ASN 256 N -4.14 -6.53 -4.87 0.41 2.85 0.10 -4.97 115.26 98.11 1t69 n ASN 256 Ca 0.01 -0.47 -0.31 0.00 -0.11 0.00 0.00 54.58 53.70 1t69 n ASN 256 Cb 0.40 -3.80 -0.01 0.00 1.24 0.00 0.00 39.78 37.60 1t69 n ASN 256 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1t69 s PRO 257 N -3.90 3.74 0.03 1.20 0.05 -1.26 -4.84 135.00 130.01 1t69 s PRO 257 Ca 0.02 0.68 0.22 0.00 0.05 0.00 0.00 61.00 61.97 1t69 s PRO 257 Cb -0.01 -2.21 -0.16 0.00 0.05 0.00 0.00 34.50 32.18 1t69 s PRO 257 CO 0.81 -0.31 0.78 1.63 0.05 0.00 0.00 177.00 179.97 1t69 n LYS 258 N -2.00 0.45 -3.49 4.56 4.01 0.31 -4.98 118.16 117.02 1t69 n LYS 258 Ca 0.05 -0.07 -0.14 0.00 -0.51 0.00 0.00 58.31 57.64 1t69 n LYS 258 Cb 0.54 -1.58 -0.04 0.00 -0.51 0.00 0.00 35.03 33.44 1t69 n LYS 258 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1t69 s ALA 259 N -3.33 -1.53 0.02 7.82 0.00 -1.19 -4.05 121.76 119.50 1t69 s ALA 259 Ca -0.01 0.65 0.06 0.00 0.00 0.00 0.00 51.96 52.66 1t69 s ALA 259 Cb 0.14 0.58 -0.02 0.00 0.00 0.00 0.00 23.12 23.82 1t69 s ALA 259 CO 0.85 -0.62 -0.19 0.08 0.00 0.00 0.00 175.76 175.89 1t69 s VAL 260 N -2.94 1.49 -0.23 0.00 1.01 0.22 -1.86 120.40 118.09 1t69 s VAL 260 Ca -0.03 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 60.95 1t69 s VAL 260 Cb -0.01 -1.28 0.06 0.00 0.00 0.00 0.00 36.38 35.15 1t69 s VAL 260 CO -0.06 0.24 -0.08 -0.69 0.00 0.00 0.00 175.10 174.52 1t69 s VAL 261 N -0.67 1.69 -0.23 2.92 1.01 0.77 -0.62 120.40 125.27 1t69 s VAL 261 Ca 0.06 -1.27 -0.09 0.00 0.00 0.00 0.00 61.98 60.69 1t69 s VAL 261 Cb -0.08 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1t69 s VAL 261 CO 0.01 -0.03 0.11 -0.22 0.00 0.00 0.00 175.10 174.97 1t69 s LEU 262 N 1.33 3.84 -0.31 3.92 2.96 0.95 -1.20 118.68 130.18 1t69 s LEU 262 Ca -0.06 0.00 -0.09 0.00 -0.22 0.00 0.00 54.13 53.76 1t69 s LEU 262 Cb -0.19 -2.02 0.00 0.00 0.50 0.00 0.00 46.19 44.48 1t69 s LEU 262 CO -0.06 0.05 0.14 -1.58 -1.32 0.00 0.00 176.35 173.58 1t69 s GLN 263 N 1.12 3.23 -0.60 1.98 -0.44 -0.40 0.76 119.66 125.30 1t69 s GLN 263 Ca 0.06 -0.79 0.03 0.00 -2.50 0.00 0.00 55.36 52.16 1t69 s GLN 263 Cb -0.14 -3.54 0.38 0.00 -1.64 0.00 0.00 33.01 28.07 1t69 s GLN 263 CO 0.04 -0.45 1.35 1.28 0.50 0.00 0.00 175.29 178.01 1t69 n LEU 264 N 4.96 5.53 -4.56 3.68 4.77 0.45 -1.01 117.00 130.81 1t69 n LEU 264 Ca -0.14 -5.23 -0.45 0.00 -0.03 0.00 0.00 56.01 50.16 1t69 n LEU 264 Cb 0.48 -0.67 -0.02 0.00 -2.33 0.00 0.00 43.42 40.88 1t69 n LEU 264 CO 0.34 2.14 0.48 0.61 -1.33 0.00 0.00 177.39 179.62 1t69 n GLY 265 N -0.42 -0.49 0.07 -0.72 0.00 -1.22 -4.68 105.19 97.72 1t69 n GLY 265 Ca 0.42 0.33 0.12 0.00 0.00 0.00 0.00 46.02 46.89 1t69 n GLY 265 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t69 h ALA 266 N 1.86 0.52 0.00 4.61 0.00 0.10 -3.39 119.26 122.97 1t69 h ALA 266 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1t69 h ALA 266 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1t69 h ALA 266 CO 0.60 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.45 1t69 n ASP 267 N -2.17 0.00 0.03 0.00 5.68 -1.15 -1.32 116.55 117.62 1t69 n ASP 267 Ca 0.03 -0.53 0.12 0.00 -0.50 0.00 0.00 54.79 53.91 1t69 n ASP 267 Cb 0.45 0.00 0.22 0.00 -1.14 0.00 0.00 41.12 40.65 1t69 n ASP 267 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1t69 n THR 268 N -0.78 0.19 -3.12 2.12 -2.24 -1.26 -4.67 114.28 104.52 1t69 n THR 268 Ca 0.05 -0.15 -0.36 0.00 -2.27 0.00 0.00 64.05 61.32 1t69 n THR 268 Cb 0.02 0.02 -0.06 0.00 -2.10 0.00 0.00 70.33 68.21 1t69 n THR 268 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1t69 s ILE 269 N -3.09 4.58 0.21 2.28 -1.09 -0.43 -1.73 121.20 121.93 1t69 s ILE 269 Ca 0.08 1.27 -0.29 0.00 -2.23 0.00 0.00 60.65 59.48 1t69 s ILE 269 Cb 0.15 -3.86 -0.16 0.00 -1.58 0.00 0.00 42.46 37.01 1t69 s ILE 269 CO 0.71 0.23 0.77 0.00 -1.23 0.00 0.00 174.94 175.42 1t69 n ALA 270 N 0.78 -1.87 0.00 9.38 0.00 -0.51 -2.05 120.51 126.24 1t69 n ALA 270 Ca -0.03 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1t69 n ALA 270 Cb 0.51 -1.79 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1t69 n ALA 270 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t69 n GLY 271 N 1.72 2.21 3.70 0.00 0.00 -1.26 -5.00 105.19 106.56 1t69 n GLY 271 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1t69 n GLY 271 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1t69 s ASP 272 N -2.48 6.73 0.46 1.61 2.15 -0.87 -4.59 116.67 119.68 1t69 s ASP 272 Ca 0.00 2.35 0.24 0.00 0.43 0.00 0.00 52.55 55.57 1t69 s ASP 272 Cb 0.00 -2.57 1.29 0.00 -0.30 0.00 0.00 42.92 41.33 1t69 s ASP 272 CO 0.00 -0.78 1.69 1.55 -0.17 0.00 0.00 175.17 177.46 1t69 h PRO 273 N 7.65 0.00 0.00 4.34 0.13 -1.91 0.91 132.00 143.12 1t69 h PRO 273 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1t69 h PRO 273 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1t69 h PRO 273 CO 0.90 0.00 0.00 -0.12 -0.23 0.00 0.00 178.00 178.55 1t69 n MET 274 N -2.46 0.23 -3.97 0.86 1.56 -1.26 -4.91 117.12 107.17 1t69 n MET 274 Ca -0.02 0.07 -0.32 0.00 -0.27 0.00 0.00 57.70 57.16 1t69 n MET 274 Cb 0.24 -1.50 0.01 0.00 2.15 0.00 0.00 33.22 34.12 1t69 n MET 274 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1t69 n SER 276 N -1.14 0.63 -4.82 0.00 7.64 -1.26 -5.02 113.62 109.64 1t69 n SER 276 Ca -0.08 0.20 -0.24 0.00 1.01 0.00 0.00 58.87 59.76 1t69 n SER 276 Cb 0.38 -0.11 0.08 0.00 -1.01 0.00 0.00 64.21 63.55 1t69 n SER 276 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1t69 s PHE 277 N -1.83 2.49 -0.39 1.43 2.99 -1.26 -1.23 117.98 120.19 1t69 s PHE 277 Ca 0.00 0.14 0.12 0.00 0.00 0.00 0.00 56.93 57.18 1t69 s PHE 277 Cb 0.00 -3.10 0.42 0.00 0.00 0.00 0.00 43.02 40.35 1t69 s PHE 277 CO 0.00 -1.42 0.98 -1.71 -0.00 0.00 0.00 175.22 173.07 1t69 n ASN 278 N -2.80 2.79 -4.86 1.36 2.85 0.25 -4.33 115.26 110.52 1t69 n ASN 278 Ca 0.10 -3.18 -0.31 0.00 -0.11 0.00 0.00 54.58 51.07 1t69 n ASN 278 Cb 0.60 -0.52 -0.04 0.00 1.24 0.00 0.00 39.78 41.06 1t69 n ASN 278 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 1t69 s MET 279 N -3.22 3.90 0.21 1.20 -1.94 -0.71 -4.22 119.30 114.52 1t69 s MET 279 Ca 0.38 0.62 0.08 0.00 -1.71 0.00 0.00 55.69 55.06 1t69 s MET 279 Cb 0.41 -2.37 -0.04 0.00 2.01 0.00 0.00 34.83 34.84 1t69 s MET 279 CO -0.07 0.01 0.04 0.95 -0.01 0.00 0.00 175.02 175.94 1t69 s THR 280 N -2.25 3.82 0.59 2.05 -4.23 -1.26 -1.43 115.64 112.94 1t69 s THR 280 Ca 0.54 -1.52 0.29 0.00 -1.18 0.00 0.00 61.69 59.81 1t69 s THR 280 Cb -0.10 -2.97 0.36 0.00 1.34 0.00 0.00 72.50 71.13 1t69 s THR 280 CO 0.25 -0.21 2.04 -0.65 -0.54 0.00 0.00 174.62 175.51 1t69 h PRO 281 N 2.29 0.00 -0.19 3.99 0.11 -1.93 -2.18 132.00 134.10 1t69 h PRO 281 Ca -0.47 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 1t69 h PRO 281 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1t69 h PRO 281 CO 0.59 0.00 0.11 0.28 -0.21 0.00 0.00 178.00 178.77 1t69 h VAL 282 N 0.00 1.09 -0.31 3.15 2.07 -1.95 0.32 116.25 120.62 1t69 h VAL 282 Ca 0.12 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 1t69 h VAL 282 Cb 0.68 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1t69 h VAL 282 CO -0.00 0.09 0.19 1.23 0.02 0.00 0.00 177.57 179.10 1t69 h GLY 283 N 0.21 0.45 1.08 2.17 0.00 -1.77 0.26 103.07 105.47 1t69 h GLY 283 Ca 0.07 -0.18 -0.10 0.00 0.00 0.00 0.00 47.33 47.12 1t69 h GLY 283 CO -0.01 0.18 -0.00 -2.22 0.00 0.00 0.00 176.54 174.48 1t69 h ILE 284 N 0.40 1.27 -0.44 2.60 2.04 -1.48 -2.80 117.51 119.10 1t69 h ILE 284 Ca 0.11 -1.16 -0.00 0.00 1.00 0.00 0.00 64.86 64.81 1t69 h ILE 284 Cb -0.01 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1t69 h ILE 284 CO -0.02 0.42 0.27 1.23 0.00 0.00 0.00 178.15 180.05 1t69 h GLY 285 N 0.97 0.63 1.26 5.37 0.00 0.07 0.77 103.07 112.14 1t69 h GLY 285 Ca 0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 1t69 h GLY 285 CO 0.03 0.24 0.38 0.50 0.00 0.00 0.00 176.54 177.69 1t69 h LYS 286 N 0.60 0.97 -0.30 4.80 1.57 -0.24 0.27 116.57 124.24 1t69 h LYS 286 Ca 0.16 -0.11 -0.15 0.00 -1.87 0.00 0.00 60.65 58.68 1t69 h LYS 286 Cb -0.03 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 1t69 h LYS 286 CO -0.03 0.72 -0.42 0.00 -0.57 0.00 0.00 179.45 179.15 1t69 h LEU 288 N 0.61 0.78 -0.61 0.00 5.85 -0.42 -1.14 115.31 120.38 1t69 h LEU 288 Ca 0.05 -0.26 0.08 0.00 0.84 0.00 0.00 57.88 58.59 1t69 h LEU 288 Cb 0.97 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.74 1t69 h LEU 288 CO 0.09 0.84 0.28 0.11 -0.34 0.00 0.00 178.44 179.41 1t69 h LYS 289 N 0.69 0.49 0.83 1.25 1.57 -0.37 -1.33 116.57 119.69 1t69 h LYS 289 Ca 0.15 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 1t69 h LYS 289 Cb 0.38 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1t69 h LYS 289 CO 0.01 0.32 -0.48 -0.92 -0.57 0.00 0.00 179.45 177.81 1t69 h TYR 290 N 0.50 -1.28 -0.58 -1.35 3.20 -0.79 -2.55 116.97 114.12 1t69 h TYR 290 Ca 0.29 -0.02 0.15 0.00 3.14 0.00 0.00 58.73 62.30 1t69 h TYR 290 Cb 0.29 0.45 -0.03 0.00 1.54 0.00 0.00 36.73 38.98 1t69 h TYR 290 CO -0.13 -0.73 0.41 0.82 -1.64 0.00 0.00 178.16 176.89 1t69 h ILE 291 N -1.22 0.75 -0.23 1.81 2.04 -1.12 -2.64 117.51 116.91 1t69 h ILE 291 Ca -0.11 -0.03 -0.18 0.00 1.00 0.00 0.00 64.86 65.53 1t69 h ILE 291 Cb 0.97 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1t69 h ILE 291 CO 0.13 0.02 -0.59 -0.07 0.00 0.00 0.00 178.15 177.64 1t69 h LEU 292 N 0.10 0.84 -2.07 1.44 3.38 -0.98 -3.11 115.31 114.90 1t69 h LEU 292 Ca 0.28 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1t69 h LEU 292 Cb 0.97 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1t69 h LEU 292 CO -0.03 1.24 0.11 0.06 0.09 0.00 0.00 178.44 179.91 1t69 h GLN 293 N 0.56 0.00 0.00 1.13 3.07 -1.07 -1.52 115.11 117.28 1t69 h GLN 293 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1t69 h GLN 293 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.74 1t69 h GLN 293 CO 0.12 0.00 0.00 0.91 0.09 0.00 0.00 178.83 179.95 1t69 n TRP 294 N -2.67 0.34 -2.58 0.06 8.01 -1.18 -4.89 117.44 114.53 1t69 n TRP 294 Ca -0.02 0.14 -0.14 0.00 -1.31 0.00 0.00 57.50 56.17 1t69 n TRP 294 Cb 0.16 -0.73 -0.00 0.00 -2.01 0.00 0.00 31.31 28.73 1t69 n TRP 294 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.69 177.72 1t69 n GLN 295 N -1.82 -2.47 -2.42 -0.99 3.00 -0.57 -4.96 117.38 107.14 1t69 n GLN 295 Ca 0.02 0.60 -0.24 0.00 -0.01 0.00 0.00 57.00 57.37 1t69 n GLN 295 Cb 0.17 -5.22 0.06 0.00 0.00 0.00 0.00 30.24 25.25 1t69 n GLN 295 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1t69 s LEU 296 N -5.77 3.03 0.20 1.08 1.43 -1.26 -5.05 118.68 112.34 1t69 s LEU 296 Ca 0.06 0.16 -0.30 0.00 -1.03 0.00 0.00 54.13 53.02 1t69 s LEU 296 Cb -0.03 -2.86 -0.09 0.00 0.03 0.00 0.00 46.19 43.23 1t69 s LEU 296 CO 0.08 -1.46 1.37 0.00 0.23 0.00 0.00 176.35 176.57 1t69 s ALA 297 N -3.04 3.57 -0.06 4.21 0.00 -1.26 -4.81 121.76 120.37 1t69 s ALA 297 Ca 0.60 1.18 -0.00 0.00 0.00 0.00 0.00 51.96 53.74 1t69 s ALA 297 Cb -0.10 -3.52 0.03 0.00 0.00 0.00 0.00 23.12 19.53 1t69 s ALA 297 CO 0.42 -0.61 -0.02 0.99 0.00 0.00 0.00 175.76 176.54 1t69 s THR 298 N 0.28 0.49 -0.31 0.00 2.01 -0.49 0.71 115.64 118.33 1t69 s THR 298 Ca 0.59 -0.01 -0.10 0.00 0.31 0.00 0.00 61.69 62.48 1t69 s THR 298 Cb -0.38 -0.58 -0.02 0.00 0.01 0.00 0.00 72.50 71.53 1t69 s THR 298 CO 0.38 0.25 0.17 -0.22 -0.69 0.00 0.00 174.62 174.51 1t69 s LEU 299 N 1.51 4.16 -0.36 4.42 2.96 0.21 -0.93 118.68 130.64 1t69 s LEU 299 Ca -0.02 -0.43 -0.13 0.00 -0.22 0.00 0.00 54.13 53.33 1t69 s LEU 299 Cb -0.13 -2.04 -0.00 0.00 0.50 0.00 0.00 46.19 44.52 1t69 s LEU 299 CO -0.03 -0.18 0.25 -0.63 -1.32 0.00 0.00 176.35 174.43 1t69 s ILE 300 N 1.65 5.15 0.13 6.68 -1.09 0.73 -0.03 121.20 134.43 1t69 s ILE 300 Ca 0.05 -0.42 0.09 0.00 -2.23 0.00 0.00 60.65 58.14 1t69 s ILE 300 Cb -0.17 -3.73 -0.04 0.00 -1.58 0.00 0.00 42.46 36.94 1t69 s ILE 300 CO 0.08 -0.11 -0.18 -0.76 -1.23 0.00 0.00 174.94 172.73 1t69 s LEU 301 N 1.69 2.67 0.00 2.97 1.43 0.23 -0.03 118.68 127.64 1t69 s LEU 301 Ca 0.05 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 1t69 s LEU 301 Cb -0.18 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 44.54 1t69 s LEU 301 CO 0.10 0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.45 1t69 n GLY 302 N 0.70 0.87 0.00 -3.19 0.00 -0.86 -0.41 105.19 102.30 1t69 n GLY 302 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1t69 n GLY 302 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t69 n GLY 303 N 5.00 0.25 3.76 -0.02 0.00 -1.10 -3.26 105.19 109.81 1t69 n GLY 303 Ca 0.00 -0.93 -0.35 0.00 0.00 0.00 0.00 46.02 44.74 1t69 n GLY 303 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1t69 s GLY 304 N 0.00 2.53 0.00 -0.02 0.00 -1.26 -4.76 107.32 103.81 1t69 s GLY 304 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 44.72 45.56 1t69 s GLY 304 CO 0.00 1.22 0.00 0.61 0.00 0.00 0.00 173.10 174.93 1t69 n GLY 305 N 0.17 -0.41 0.00 0.20 0.00 -1.26 0.15 105.19 104.04 1t69 n GLY 305 Ca 0.12 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.95 1t69 n GLY 305 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1t69 n TYR 306 N 0.00 0.00 -2.84 1.61 4.02 -1.26 -4.69 117.16 114.00 1t69 n TYR 306 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.46 1t69 n TYR 306 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.28 1t69 n TYR 306 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1t69 s ASN 307 N -1.37 6.19 0.16 7.72 3.84 -1.26 -4.70 114.94 125.52 1t69 s ASN 307 Ca 0.00 -0.90 -0.15 0.00 0.21 0.00 0.00 52.86 52.02 1t69 s ASN 307 Cb 0.00 -2.43 0.03 0.00 -0.55 0.00 0.00 41.25 38.30 1t69 s ASN 307 CO 0.00 -1.45 1.82 -0.07 -2.79 0.00 0.00 177.10 174.61 1t69 h LEU 308 N 11.43 0.51 -0.31 3.21 3.38 -1.95 -0.43 115.31 131.14 1t69 h LEU 308 Ca -0.29 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 1t69 h LEU 308 Cb 1.07 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1t69 h LEU 308 CO 1.18 0.37 0.08 0.00 0.09 0.00 0.00 178.44 180.16 1t69 h ALA 309 N 1.17 0.41 -0.70 1.53 0.00 -1.92 -1.54 119.26 118.21 1t69 h ALA 309 Ca 0.16 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1t69 h ALA 309 Cb -0.06 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1t69 h ALA 309 CO -0.04 0.06 0.46 -0.91 0.00 0.00 0.00 179.25 178.83 1t69 h ASN 310 N 0.34 0.73 0.49 0.00 4.21 -1.85 0.37 115.58 119.88 1t69 h ASN 310 Ca 0.10 -0.01 -0.02 0.00 1.21 0.00 0.00 56.30 57.58 1t69 h ASN 310 Cb 0.28 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.31 1t69 h ASN 310 CO -0.00 0.51 -0.24 0.74 -1.29 0.00 0.00 177.43 177.15 1t69 h THR 311 N 0.85 0.48 -0.65 2.81 2.02 -0.79 0.89 112.91 118.52 1t69 h THR 311 Ca 0.28 -0.25 0.03 0.00 0.77 0.00 0.00 66.41 67.24 1t69 h THR 311 Cb 0.05 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.01 1t69 h THR 311 CO -0.08 0.04 0.39 0.00 0.37 0.00 0.00 175.52 176.25 1t69 h ALA 312 N -0.39 0.84 -0.26 6.16 0.00 -0.80 0.73 119.26 125.54 1t69 h ALA 312 Ca -0.07 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1t69 h ALA 312 Cb 0.57 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 1t69 h ALA 312 CO 0.11 0.14 -0.25 0.00 0.00 0.00 0.00 179.25 179.24 1t69 h ARG 313 N 0.77 -0.24 0.32 0.00 3.08 -0.24 -0.18 114.38 117.89 1t69 h ARG 313 Ca 0.26 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.32 1t69 h ARG 313 Cb 0.04 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 1t69 h ARG 313 CO -0.12 -0.16 -0.19 0.00 -1.07 0.00 0.00 179.97 178.44 1t69 h TRP 315 N -0.49 0.00 0.42 0.00 6.55 -0.95 -0.32 115.95 121.16 1t69 h TRP 315 Ca -0.04 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.79 1t69 h TRP 315 Cb 0.40 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.69 1t69 h TRP 315 CO -0.08 0.59 -0.26 1.15 -1.05 0.00 0.00 178.44 178.78 1t69 h THR 316 N 0.00 0.46 -0.27 1.49 2.02 -0.87 -1.53 112.91 114.20 1t69 h THR 316 Ca -0.01 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 1t69 h THR 316 Cb 1.19 0.46 -0.08 0.00 -1.74 0.00 0.00 68.15 67.98 1t69 h THR 316 CO 0.08 0.00 -0.44 0.22 0.37 0.00 0.00 175.52 175.75 1t69 h TYR 317 N -0.65 -1.28 -0.70 3.16 3.20 -0.28 -2.66 116.97 117.76 1t69 h TYR 317 Ca -0.04 0.06 0.08 0.00 3.14 0.00 0.00 58.73 61.96 1t69 h TYR 317 Cb 0.54 0.60 -0.06 0.00 1.54 0.00 0.00 36.73 39.34 1t69 h TYR 317 CO -0.10 -0.47 0.37 -0.07 -1.64 0.00 0.00 178.16 176.26 1t69 h LEU 318 N -0.42 0.52 -1.67 2.82 3.38 -0.98 0.34 115.31 119.30 1t69 h LEU 318 Ca 0.10 0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.24 1t69 h LEU 318 Cb 0.61 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1t69 h LEU 318 CO -0.49 0.32 0.43 0.74 0.09 0.00 0.00 178.44 179.53 1t69 h THR 319 N 0.66 0.84 0.18 0.22 2.02 -1.00 0.29 112.91 116.11 1t69 h THR 319 Ca 0.33 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.40 1t69 h THR 319 Cb 0.29 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 1t69 h THR 319 CO -0.23 0.06 -0.42 1.23 0.37 0.00 0.00 175.52 176.53 1t69 h GLY 320 N 0.35 -1.17 1.92 2.16 0.00 0.01 -1.10 103.07 105.23 1t69 h GLY 320 Ca 0.31 0.60 -0.03 0.00 0.00 0.00 0.00 47.33 48.20 1t69 h GLY 320 CO -0.08 -0.32 -0.11 -0.39 0.00 0.00 0.00 176.54 175.64 1t69 h VAL 321 N -0.66 1.12 0.36 4.60 -1.51 -0.65 1.03 116.25 120.54 1t69 h VAL 321 Ca -0.02 -0.54 -0.02 0.00 -1.23 0.00 0.00 66.70 64.89 1t69 h VAL 321 Cb 0.64 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 30.99 1t69 h VAL 321 CO -0.18 0.16 -0.17 0.40 -1.23 0.00 0.00 177.57 176.55 1t69 h ILE 322 N 0.10 0.66 0.00 7.19 2.04 -1.13 -1.95 117.51 124.42 1t69 h ILE 322 Ca 0.02 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1t69 h ILE 322 Cb 0.26 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1t69 h ILE 322 CO 0.02 0.04 0.00 0.18 0.00 0.00 0.00 178.15 178.38 1t69 n LEU 323 N -5.25 0.32 -1.88 1.44 4.77 -0.42 -4.87 117.00 111.10 1t69 n LEU 323 Ca -0.10 0.59 -0.17 0.00 -0.03 0.00 0.00 56.01 56.29 1t69 n LEU 323 Cb 0.23 -0.55 -0.02 0.00 -2.33 0.00 0.00 43.42 40.75 1t69 n LEU 323 CO 0.35 -0.44 -0.21 0.61 -1.33 0.00 0.00 177.39 176.36 1t69 n GLY 324 N -0.17 -0.02 3.30 -0.72 0.00 0.34 -4.98 105.19 102.95 1t69 n GLY 324 Ca 0.02 -0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 1t69 n GLY 324 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t69 s LYS 325 N -4.64 3.18 0.19 1.61 -0.14 -0.43 -4.96 119.74 114.54 1t69 s LYS 325 Ca 0.00 -0.77 -0.30 0.00 -1.36 0.00 0.00 55.97 53.54 1t69 s LYS 325 Cb 0.00 -3.12 -0.09 0.00 -1.68 0.00 0.00 37.83 32.94 1t69 s LYS 325 CO 0.00 -0.32 1.38 -0.08 -0.76 0.00 0.00 175.35 175.57 1t69 s THR 326 N 1.45 3.03 0.10 2.17 -1.32 -1.26 -4.43 115.64 115.38 1t69 s THR 326 Ca 0.04 0.82 0.00 0.00 -1.21 0.00 0.00 61.69 61.34 1t69 s THR 326 Cb -0.16 -3.53 -0.04 0.00 -1.51 0.00 0.00 72.50 67.27 1t69 s THR 326 CO -0.02 0.11 0.26 -0.76 -2.21 0.00 0.00 174.62 172.00 1t69 s LEU 327 N 0.13 4.34 0.23 9.08 1.43 -1.26 -5.05 118.68 127.59 1t69 s LEU 327 Ca 0.60 0.27 -0.32 0.00 -1.03 0.00 0.00 54.13 53.65 1t69 s LEU 327 Cb -0.39 -2.98 -0.12 0.00 0.03 0.00 0.00 46.19 42.73 1t69 s LEU 327 CO 0.38 0.11 1.66 -0.24 0.23 0.00 0.00 176.35 178.48 1t69 n SER 328 N -0.05 3.81 -0.11 2.29 2.88 -1.26 -4.91 113.62 116.27 1t69 n SER 328 Ca -0.05 1.09 -0.10 0.00 -1.33 0.00 0.00 58.87 58.48 1t69 n SER 328 Cb 0.52 -1.56 0.03 0.00 -0.75 0.00 0.00 64.21 62.46 1t69 n SER 328 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1t69 h SER 329 N 5.94 0.90 -3.15 -3.46 0.87 -1.98 -3.43 113.55 109.24 1t69 h SER 329 Ca -0.45 -0.36 -0.54 0.00 -1.23 0.00 0.00 61.79 59.22 1t69 h SER 329 Cb 1.22 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.92 1t69 h SER 329 CO 0.89 1.12 0.61 -1.83 -0.53 0.00 0.00 176.83 177.09 1t69 s GLU 330 N -4.55 4.40 0.11 2.24 -1.05 -1.26 -1.82 118.70 116.77 1t69 s GLU 330 Ca -0.10 1.73 -0.31 0.00 -0.15 0.00 0.00 54.97 56.14 1t69 s GLU 330 Cb 0.12 -3.44 -0.09 0.00 -0.44 0.00 0.00 34.13 30.28 1t69 s GLU 330 CO 0.86 -0.33 1.59 0.42 0.95 0.00 0.00 175.26 178.75 1t69 s ILE 331 N 1.53 2.88 0.56 1.83 -1.09 -0.04 -4.90 121.20 121.97 1t69 s ILE 331 Ca 0.58 0.51 -0.17 0.00 -2.23 0.00 0.00 60.65 59.34 1t69 s ILE 331 Cb -0.28 -3.33 -0.05 0.00 -1.58 0.00 0.00 42.46 37.22 1t69 s ILE 331 CO 0.26 0.02 1.04 -2.16 -1.23 0.00 0.00 174.94 172.87 1t69 s PRO 332 N 1.86 3.55 0.49 2.79 0.04 -1.26 -4.96 135.00 137.51 1t69 s PRO 332 Ca 0.71 1.17 -0.22 0.00 0.04 0.00 0.00 61.00 62.70 1t69 s PRO 332 Cb -0.41 -2.07 -0.07 0.00 0.04 0.00 0.00 34.50 31.99 1t69 s PRO 332 CO 0.31 -0.62 1.19 0.34 0.04 0.00 0.00 177.00 178.27 1t69 s ASP 333 N -2.71 5.95 -0.06 6.66 2.15 -1.26 -4.84 116.67 122.56 1t69 s ASP 333 Ca 0.63 2.35 -0.30 0.00 0.43 0.00 0.00 52.55 55.66 1t69 s ASP 333 Cb -0.15 -2.60 0.11 0.00 -0.30 0.00 0.00 42.92 39.98 1t69 s ASP 333 CO 0.33 -1.07 1.35 -1.38 -0.17 0.00 0.00 175.17 174.22 1t69 s HIS 334 N -1.54 0.00 0.01 -5.34 -3.43 -1.26 -4.97 115.29 98.76 1t69 s HIS 334 Ca 0.66 -0.06 -0.02 0.00 -0.80 0.00 0.00 55.06 54.84 1t69 s HIS 334 Cb -0.30 0.53 -0.00 0.00 -1.43 0.00 0.00 32.58 31.38 1t69 s HIS 334 CO 0.35 -0.14 0.26 0.39 -2.00 0.00 0.00 174.74 173.60 1t69 n GLU 335 N -0.76 -0.03 -0.99 -0.38 1.02 -1.26 -1.52 120.64 116.72 1t69 n GLU 335 Ca -0.01 0.26 -0.20 0.00 -0.02 0.00 0.00 57.16 57.19 1t69 n GLU 335 Cb 0.61 -0.39 0.14 0.00 -0.02 0.00 0.00 31.44 31.78 1t69 n GLU 335 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1t69 n PHE 336 N -2.78 2.47 -0.31 -0.32 3.72 -1.26 -4.64 117.46 114.35 1t69 n PHE 336 Ca 0.00 -1.63 0.08 0.00 -0.05 0.00 0.00 57.45 55.86 1t69 n PHE 336 Cb 0.02 -0.83 0.24 0.00 -0.94 0.00 0.00 39.48 37.97 1t69 n PHE 336 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 1t69 h PHE 337 N 0.84 0.86 -0.03 1.38 3.04 -1.60 -2.46 116.94 118.98 1t69 h PHE 337 Ca 0.51 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.50 1t69 h PHE 337 Cb 2.44 -0.25 -0.00 0.00 2.56 0.00 0.00 35.95 40.70 1t69 h PHE 337 CO 1.28 0.22 0.02 1.79 -2.02 0.00 0.00 178.31 179.60 1t69 h THR 338 N 0.69 0.78 0.00 4.41 1.35 -1.85 -2.15 112.91 116.14 1t69 h THR 338 Ca 0.49 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.35 1t69 h THR 338 Cb 0.68 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1t69 h THR 338 CO -0.36 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 174.91 1t69 h ALA 339 N 1.98 1.00 -0.21 6.62 0.00 -1.83 -3.07 119.26 123.75 1t69 h ALA 339 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1t69 h ALA 339 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1t69 h ALA 339 CO -0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 1t69 n TYR 340 N -2.87 0.27 -1.66 0.00 4.02 -0.81 -4.84 117.16 111.27 1t69 n TYR 340 Ca 0.01 -0.13 -0.30 0.00 -0.01 0.00 0.00 57.90 57.46 1t69 n TYR 340 Cb 0.26 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.66 1t69 n TYR 340 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1t69 s GLY 341 N -1.63 1.63 0.09 2.72 0.00 -1.16 -1.78 107.32 107.19 1t69 s GLY 341 Ca 0.35 -0.24 -0.07 0.00 0.00 0.00 0.00 44.72 44.76 1t69 s GLY 341 CO 0.29 0.16 1.18 -0.56 0.00 0.00 0.00 173.10 174.18 1t69 h PRO 342 N -0.93 0.39 0.00 2.90 0.13 -1.91 -3.45 132.00 129.13 1t69 h PRO 342 Ca -0.46 -0.54 0.00 0.00 -0.87 0.00 0.00 66.00 64.13 1t69 h PRO 342 Cb 1.26 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.58 1t69 h PRO 342 CO 0.61 1.22 0.00 -0.25 -0.23 0.00 0.00 178.00 179.35 1t69 n ASP 343 N -3.65 0.36 -2.98 1.44 8.00 -1.26 -4.93 116.55 113.52 1t69 n ASP 343 Ca -0.09 0.57 -0.21 0.00 0.71 0.00 0.00 54.79 55.77 1t69 n ASP 343 Cb 0.96 -0.65 0.01 0.00 -0.02 0.00 0.00 41.12 41.42 1t69 n ASP 343 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1t69 n TYR 344 N -1.87 -1.71 -4.51 1.24 4.01 -0.73 -4.98 117.16 108.60 1t69 n TYR 344 Ca 0.04 0.36 -0.25 0.00 -0.16 0.00 0.00 57.90 57.89 1t69 n TYR 344 Cb 0.26 -3.54 -0.10 0.00 -0.31 0.00 0.00 39.34 35.64 1t69 n TYR 344 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1t69 s VAL 345 N -2.97 2.10 0.10 -0.72 -7.23 -1.26 -0.86 120.40 109.56 1t69 s VAL 345 Ca 0.25 -2.20 0.06 0.00 -1.81 0.00 0.00 61.98 58.29 1t69 s VAL 345 Cb -0.12 -2.58 -0.22 0.00 0.56 0.00 0.00 36.38 34.01 1t69 s VAL 345 CO 0.31 -0.24 1.21 0.25 -0.31 0.00 0.00 175.10 176.33 1t69 h LEU 346 N 2.10 0.05-10.12 1.32 5.85 -1.67 -3.45 115.31 109.39 1t69 h LEU 346 Ca -0.41 -0.06 -0.46 0.00 0.84 0.00 0.00 57.88 57.79 1t69 h LEU 346 Cb 1.25 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1t69 h LEU 346 CO 0.69 1.05 0.36 -1.61 -0.34 0.00 0.00 178.44 178.59 1t69 s GLU 347 N -2.69 4.01 -0.05 1.25 8.01 -1.26 -4.83 118.70 123.14 1t69 s GLU 347 Ca -0.00 1.09 0.05 0.00 0.01 0.00 0.00 54.97 56.12 1t69 s GLU 347 Cb 0.09 -2.14 -0.02 0.00 -4.31 0.00 0.00 34.13 27.75 1t69 s GLU 347 CO 0.83 -0.22 -0.21 0.42 0.01 0.00 0.00 175.26 176.09 1t69 s ILE 348 N -2.35 2.49 -0.18 -1.63 1.01 -1.26 -5.11 121.20 114.18 1t69 s ILE 348 Ca 0.61 -0.93 -0.22 0.00 0.00 0.00 0.00 60.65 60.11 1t69 s ILE 348 Cb -0.11 -1.93 -0.02 0.00 0.01 0.00 0.00 42.46 40.41 1t69 s ILE 348 CO 0.23 0.58 0.69 -0.89 0.00 0.00 0.00 174.94 175.54 1t69 s THR 349 N -0.51 4.99 0.37 2.92 2.01 -1.26 -4.91 115.64 119.24 1t69 s THR 349 Ca 0.07 1.32 -0.27 0.00 0.31 0.00 0.00 61.69 63.12 1t69 s THR 349 Cb -0.11 -4.00 -0.12 0.00 0.01 0.00 0.00 72.50 68.28 1t69 s THR 349 CO 0.01 0.10 1.19 -2.65 -0.69 0.00 0.00 174.62 172.58 1t69 n PRO 350 N 4.99 1.81 -2.16 4.92 -0.02 -1.26 -4.84 135.00 138.44 1t69 n PRO 350 Ca 0.00 0.64 -0.35 0.00 -2.02 0.00 0.00 63.50 61.77 1t69 n PRO 350 Cb 0.50 -2.21 0.01 0.00 -0.02 0.00 0.00 33.50 31.78 1t69 n PRO 350 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1t69 s SER 351 N -0.48 5.58 -0.54 2.55 0.01 -1.26 -5.01 113.70 114.55 1t69 s SER 351 Ca 0.59 2.16 -0.17 0.00 1.31 0.00 0.00 55.95 59.84 1t69 s SER 351 Cb -0.57 -2.58 0.11 0.00 0.21 0.00 0.00 66.02 63.19 1t69 s SER 351 CO 0.60 -1.31 0.53 0.00 0.41 0.00 0.00 173.24 173.47 1t69 s ARG 353 N 1.91 1.06 0.37 0.00 1.70 -1.26 -5.16 118.95 117.58 1t69 s ARG 353 Ca 0.06 -0.76 -0.28 0.00 -0.47 0.00 0.00 55.73 54.28 1t69 s ARG 353 Cb -0.27 0.45 -0.11 0.00 -0.57 0.00 0.00 34.95 34.45 1t69 s ARG 353 CO 0.05 -0.41 1.38 -0.35 -1.08 0.00 0.00 175.30 174.90 1t69 n PRO 354 N -0.21 2.35 -2.87 3.89 -0.04 -1.26 -4.88 135.00 131.98 1t69 n PRO 354 Ca -0.15 0.82 -0.44 0.00 -0.04 0.00 0.00 63.50 63.70 1t69 n PRO 354 Cb 0.63 -2.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.58 1t69 n PRO 354 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1t69 s ASP 355 N -0.27 6.81 0.00 3.54 -1.08 -1.26 -3.90 116.67 120.50 1t69 s ASP 355 Ca 0.55 -2.40 0.00 0.00 -0.52 0.00 0.00 52.55 50.18 1t69 s ASP 355 Cb -0.51 -2.43 0.00 0.00 -1.46 0.00 0.00 42.92 38.52 1t69 s ASP 355 CO 0.62 -0.99 0.27 0.54 0.52 0.00 0.00 175.17 176.13 1t69 n ARG 356 N 6.56 0.34 -3.11 4.34 1.74 -0.32 -4.39 116.66 121.82 1t69 n ARG 356 Ca 0.32 0.00 -0.45 0.00 -0.77 0.00 0.00 57.85 56.95 1t69 n ARG 356 Cb 0.47 -1.07 -0.03 0.00 -1.02 0.00 0.00 32.46 30.80 1t69 n ARG 356 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1t69 s ASN 357 N -1.25 6.44 0.19 0.55 0.01 -1.26 -4.82 114.94 114.81 1t69 s ASN 357 Ca 0.00 -1.89 -0.32 0.00 -0.71 0.00 0.00 52.86 49.94 1t69 s ASN 357 Cb 0.00 -2.31 -0.11 0.00 0.41 0.00 0.00 41.25 39.24 1t69 s ASN 357 CO 0.00 -0.98 1.63 -1.83 -1.51 0.00 0.00 177.10 174.41 1t69 s GLU 358 N 2.12 4.18 0.14 -0.60 -1.05 -1.26 -4.84 118.70 117.40 1t69 s GLU 358 Ca 0.19 2.47 0.11 0.00 -0.15 0.00 0.00 54.97 57.59 1t69 s GLU 358 Cb -0.15 -3.12 0.58 0.00 -0.44 0.00 0.00 34.13 31.00 1t69 s GLU 358 CO -0.02 -0.67 1.35 -0.35 0.95 0.00 0.00 175.26 176.53 1t69 n PRO 359 N 3.94 0.07 0.44 -4.83 -0.04 -1.26 -1.86 135.00 131.47 1t69 n PRO 359 Ca 0.15 0.53 -0.18 0.00 -0.04 0.00 0.00 63.50 63.95 1t69 n PRO 359 Cb 0.37 -1.71 -0.09 0.00 -0.04 0.00 0.00 33.50 32.03 1t69 n PRO 359 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1t69 h HIS 360 N 0.00 -1.04 0.00 0.54 3.86 -2.02 -3.23 115.15 113.26 1t69 h HIS 360 Ca 0.00 -0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.13 1t69 h HIS 360 Cb 0.05 0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.86 1t69 h HIS 360 CO 0.00 -0.64 -0.27 -0.09 0.86 0.00 0.00 177.93 177.80 1t69 h ARG 361 N -1.21 0.00 0.33 2.45 1.12 -1.75 -2.78 114.38 112.54 1t69 h ARG 361 Ca -0.11 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.75 1t69 h ARG 361 Cb 0.87 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.82 1t69 h ARG 361 CO 0.19 0.27 -0.23 0.82 -3.11 0.00 0.00 179.97 177.90 1t69 h ILE 362 N 0.00 0.51 -0.30 1.20 1.08 -1.62 -1.42 117.51 116.96 1t69 h ILE 362 Ca -0.00 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.42 1t69 h ILE 362 Cb 0.53 0.51 -0.02 0.00 -3.07 0.00 0.00 36.82 34.77 1t69 h ILE 362 CO 0.03 0.00 0.00 -0.61 -0.69 0.00 0.00 178.15 176.89 1t69 h GLN 363 N -0.56 0.45 0.00 2.37 5.75 -1.55 0.25 115.11 121.83 1t69 h GLN 363 Ca -0.03 -0.09 0.00 0.00 -0.15 0.00 0.00 58.65 58.38 1t69 h GLN 363 Cb 0.48 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.96 1t69 h GLN 363 CO 0.01 0.48 0.00 1.04 -2.65 0.00 0.00 178.83 177.71 1t69 n GLN 364 N -4.31 0.12 -0.11 1.69 6.02 -1.01 -2.66 117.38 117.11 1t69 n GLN 364 Ca 0.01 0.43 -0.15 0.00 -0.01 0.00 0.00 57.00 57.28 1t69 n GLN 364 Cb 0.23 -1.76 -0.13 0.00 1.02 0.00 0.00 30.24 29.60 1t69 n GLN 364 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1t69 n ILE 365 N -1.98 1.38 0.09 5.09 5.41 -0.06 -4.05 119.36 125.23 1t69 n ILE 365 Ca 0.02 -0.63 -0.12 0.00 1.00 0.00 0.00 62.75 63.02 1t69 n ILE 365 Cb 0.16 -1.09 -0.06 0.00 -0.71 0.00 0.00 39.64 37.94 1t69 n ILE 365 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1t69 h LEU 366 N 0.00 -0.31 0.28 1.39 3.38 -1.09 -2.47 115.31 116.48 1t69 h LEU 366 Ca -0.54 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1t69 h LEU 366 Cb 1.96 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 42.79 1t69 h LEU 366 CO -0.05 -0.17 -0.37 0.78 0.09 0.00 0.00 178.44 178.72 1t69 h ASN 367 N -0.24 -1.03 -1.01 -0.43 4.21 -1.73 1.43 115.58 116.78 1t69 h ASN 367 Ca 0.02 0.10 0.24 0.00 1.21 0.00 0.00 56.30 57.87 1t69 h ASN 367 Cb 0.25 0.36 -0.12 0.00 -1.12 0.00 0.00 38.32 37.69 1t69 h ASN 367 CO -0.06 -0.49 0.61 0.22 -1.29 0.00 0.00 177.43 176.43 1t69 h TYR 368 N -0.70 0.96 0.08 1.19 5.03 -1.70 0.53 116.97 122.36 1t69 h TYR 368 Ca -0.01 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.33 1t69 h TYR 368 Cb 0.66 -0.28 0.00 0.00 1.55 0.00 0.00 36.73 38.67 1t69 h TYR 368 CO -0.25 0.08 -0.04 0.82 -1.32 0.00 0.00 178.16 177.45 1t69 h ILE 369 N 0.57 1.07 -0.71 1.81 2.04 -0.81 -3.05 117.51 118.43 1t69 h ILE 369 Ca 0.63 -1.43 0.15 0.00 1.00 0.00 0.00 64.86 65.21 1t69 h ILE 369 Cb 1.24 1.88 -0.11 0.00 -0.74 0.00 0.00 36.82 39.10 1t69 h ILE 369 CO -0.43 0.31 0.14 0.11 0.00 0.00 0.00 178.15 178.28 1t69 h LYS 370 N -0.86 0.24 -0.12 2.37 1.57 0.35 0.44 116.57 120.55 1t69 h LYS 370 Ca -0.01 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 1t69 h LYS 370 Cb 0.59 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1t69 h LYS 370 CO 0.02 0.16 -0.19 0.78 -0.57 0.00 0.00 179.45 179.65 1t69 h GLY 371 N 0.24 0.22 2.00 3.86 0.00 -0.15 -2.55 103.07 106.69 1t69 h GLY 371 Ca 0.39 -0.14 -0.08 0.00 0.00 0.00 0.00 47.33 47.50 1t69 h GLY 371 CO -0.50 0.13 -0.38 3.43 0.00 0.00 0.00 176.54 179.22 1t69 h ASN 372 N 0.19 0.00 1.73 0.19 -0.26 -0.07 -2.81 115.58 114.54 1t69 h ASN 372 Ca 0.04 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.77 1t69 h ASN 372 Cb 0.44 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.70 1t69 h ASN 372 CO 0.03 0.38 -0.02 -0.07 -1.06 0.00 0.00 177.43 176.68 1t69 h LEU 373 N 0.00 0.00 0.00 1.61 4.07 -0.80 -2.95 115.31 117.24 1t69 h LEU 373 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1t69 h LEU 373 Cb 0.72 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.46 1t69 h LEU 373 CO 0.05 0.02 0.00 0.29 -1.08 0.00 0.00 178.44 177.72 1t69 n LYS 374 N -3.11 0.03 -0.00 1.13 5.02 -1.06 -1.73 118.16 118.44 1t69 n LYS 374 Ca 0.03 0.35 0.09 0.00 -2.02 0.00 0.00 58.31 56.76 1t69 n LYS 374 Cb 0.48 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.88 1t69 n LYS 374 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1t69 n HIS 375 N -1.42 0.00 -3.63 2.13 8.25 -1.11 -4.89 115.22 114.55 1t69 n HIS 375 Ca 0.02 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.10 1t69 n HIS 375 Cb 0.05 -0.06 -0.11 0.00 1.12 0.00 0.00 29.99 30.99 1t69 n HIS 375 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1t69 s VAL 376 N -2.91 5.02 0.00 1.59 -7.23 -0.70 -5.08 120.40 111.09 1t69 s VAL 376 Ca 0.05 0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.26 1t69 s VAL 376 Cb 0.14 -3.40 0.00 0.00 0.56 0.00 0.00 36.38 33.68 1t69 s VAL 376 CO 0.80 0.25 0.00 0.52 -0.31 0.00 0.00 175.10 176.36