#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fup s SER 6 N 0.00 4.86 0.15 6.15 0.15 -1.26 -0.83 113.70 122.92 1fup s SER 6 Ca 0.00 -1.23 0.05 0.00 0.70 0.00 0.00 55.95 55.47 1fup s SER 6 Cb 0.00 -1.71 -0.04 0.00 -1.71 0.00 0.00 66.02 62.56 1fup s SER 6 CO 0.00 -0.25 0.11 -1.61 1.20 0.00 0.00 173.24 172.69 1fup s GLU 7 N 1.27 2.83 0.12 5.44 0.41 -0.03 -4.44 118.70 124.30 1fup s GLU 7 Ca -0.05 -0.87 -0.06 0.00 -0.41 0.00 0.00 54.97 53.58 1fup s GLU 7 Cb -0.19 -2.62 -0.02 0.00 -1.78 0.00 0.00 34.13 29.51 1fup s GLU 7 CO -0.01 0.49 0.15 -1.59 -0.49 0.00 0.00 175.26 173.81 1fup s LYS 8 N -2.98 0.94 0.00 1.61 -2.85 -1.26 0.57 119.74 115.76 1fup s LYS 8 Ca 0.30 -1.20 0.00 0.00 -1.00 0.00 0.00 55.97 54.07 1fup s LYS 8 Cb -0.10 0.31 0.00 0.00 -2.06 0.00 0.00 37.83 35.97 1fup s LYS 8 CO 0.23 -0.29 0.00 -0.40 0.10 0.00 0.00 175.35 174.98 1fup n ASP 9 N -0.10 0.00 -0.31 0.03 5.68 0.77 -4.75 116.55 117.88 1fup n ASP 9 Ca -0.10 -0.48 0.07 0.00 -0.50 0.00 0.00 54.79 53.77 1fup n ASP 9 Cb 0.63 0.00 0.22 0.00 -1.14 0.00 0.00 41.12 40.83 1fup n ASP 9 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1fup h SER 10 N 0.00 0.68 0.24 -1.12 4.64 -2.03 0.13 113.55 116.09 1fup h SER 10 Ca 0.00 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1fup h SER 10 Cb 0.00 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1fup h SER 10 CO 0.00 0.33 0.00 0.23 -0.87 0.00 0.00 176.83 176.52 1fup n MET 11 N -4.77 0.40 0.00 4.77 2.81 -1.26 -4.99 117.12 114.08 1fup n MET 11 Ca 0.17 0.07 0.00 0.00 -1.81 0.00 0.00 57.70 56.13 1fup n MET 11 Cb 0.39 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.40 1fup n MET 11 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1fup n GLY 12 N 0.34 0.03 3.95 3.03 0.00 0.45 -5.06 105.19 107.94 1fup n GLY 12 Ca 0.11 -2.24 -0.23 0.00 0.00 0.00 0.00 46.02 43.66 1fup n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fup s ALA 13 N -2.00 3.80 -0.19 4.61 0.00 -1.26 -0.16 121.76 126.56 1fup s ALA 13 Ca 0.00 -1.05 -0.24 0.00 0.00 0.00 0.00 51.96 50.67 1fup s ALA 13 Cb 0.00 -1.94 0.06 0.00 0.00 0.00 0.00 23.12 21.24 1fup s ALA 13 CO 0.00 0.10 0.64 -1.50 0.00 0.00 0.00 175.76 174.99 1fup s ILE 14 N -2.17 0.00 0.01 0.00 2.07 0.19 -4.95 121.20 116.36 1fup s ILE 14 Ca 0.37 -0.03 -0.29 0.00 -1.41 0.00 0.00 60.65 59.30 1fup s ILE 14 Cb -0.09 -0.91 -0.04 0.00 0.13 0.00 0.00 42.46 41.55 1fup s ILE 14 CO 0.33 -0.01 0.93 -1.81 -1.91 0.00 0.00 174.94 172.47 1fup s ASP 15 N -0.10 7.33 0.08 4.50 1.01 -1.26 -0.85 116.67 127.39 1fup s ASP 15 Ca -0.03 1.61 0.10 0.00 0.71 0.00 0.00 52.55 54.93 1fup s ASP 15 Cb -0.04 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 1fup s ASP 15 CO 0.03 -0.20 -0.26 0.68 0.21 0.00 0.00 175.17 175.62 1fup s VAL 16 N 0.81 2.16 -0.01 -1.27 -7.23 -0.01 -4.94 120.40 109.90 1fup s VAL 16 Ca 0.49 -1.55 -0.33 0.00 -1.81 0.00 0.00 61.98 58.78 1fup s VAL 16 Cb -0.21 -1.88 -0.11 0.00 0.56 0.00 0.00 36.38 34.74 1fup s VAL 16 CO 0.27 0.23 1.85 -0.81 -0.31 0.00 0.00 175.10 176.33 1fup n PRO 17 N 1.38 2.35 -0.30 4.82 -0.04 -1.26 -1.32 135.00 140.63 1fup n PRO 17 Ca -0.17 0.86 0.14 0.00 -0.04 0.00 0.00 63.50 64.29 1fup n PRO 17 Cb 0.52 -2.72 0.32 0.00 -0.04 0.00 0.00 33.50 31.58 1fup n PRO 17 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fup h ALA 18 N 8.95 1.41 0.00 0.55 0.00 -1.98 -0.32 119.26 127.86 1fup h ALA 18 Ca -0.48 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1fup h ALA 18 Cb 1.26 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1fup h ALA 18 CO 0.94 -0.45 0.00 -0.40 0.00 0.00 0.00 179.25 179.34 1fup n ASP 19 N -5.16 0.04 -4.61 0.00 5.75 -1.26 -4.81 116.55 106.50 1fup n ASP 19 Ca 0.23 -1.67 -0.30 0.00 -0.01 0.00 0.00 54.79 53.04 1fup n ASP 19 Cb 0.71 -0.02 -0.09 0.00 -1.03 0.00 0.00 41.12 40.69 1fup n ASP 19 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1fup s LYS 20 N -1.95 2.25 0.00 0.11 -0.14 -0.13 -5.04 119.74 114.84 1fup s LYS 20 Ca 0.00 -0.98 0.25 0.00 -1.36 0.00 0.00 55.97 53.88 1fup s LYS 20 Cb 0.00 -2.37 0.44 0.00 -1.68 0.00 0.00 37.83 34.22 1fup s LYS 20 CO 0.00 0.51 1.37 1.28 -0.76 0.00 0.00 175.35 177.75 1fup n LEU 21 N 0.61 1.56 -4.89 3.17 4.77 -1.26 -4.93 117.00 116.03 1fup n LEU 21 Ca -0.12 -0.51 -0.30 0.00 -0.03 0.00 0.00 56.01 55.04 1fup n LEU 21 Cb 0.52 -0.06 0.05 0.00 -2.33 0.00 0.00 43.42 41.60 1fup n LEU 21 CO 0.35 0.29 0.74 -1.66 -1.33 0.00 0.00 177.39 175.78 1fup s TRP 22 N -2.44 3.28 0.00 -1.77 -2.14 -1.26 -3.70 118.94 110.91 1fup s TRP 22 Ca 0.23 0.99 0.00 0.00 2.66 0.00 0.00 56.10 59.98 1fup s TRP 22 Cb 0.19 -3.09 0.00 0.00 -3.10 0.00 0.00 33.47 27.47 1fup s TRP 22 CO 0.52 -1.21 0.00 0.41 -2.66 0.00 0.00 176.95 174.01 1fup n GLY 23 N -3.01 3.96 0.11 3.67 0.00 -1.26 -4.93 105.19 103.73 1fup n GLY 23 Ca 0.07 -2.01 -0.11 0.00 0.00 0.00 0.00 46.02 43.97 1fup n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fup h ALA 24 N -0.26 0.22 -0.58 4.61 0.00 -1.85 -2.20 119.26 119.19 1fup h ALA 24 Ca 0.00 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1fup h ALA 24 Cb 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1fup h ALA 24 CO 0.00 -0.14 0.39 1.96 0.00 0.00 0.00 179.25 181.46 1fup h GLN 25 N 0.07 0.74 -0.25 0.00 4.20 -1.95 -0.48 115.11 117.44 1fup h GLN 25 Ca 0.05 -0.04 -0.18 0.00 0.06 0.00 0.00 58.65 58.54 1fup h GLN 25 Cb 0.27 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 1fup h GLN 25 CO 0.00 0.49 -0.55 1.15 -0.67 0.00 0.00 178.83 179.25 1fup h THR 26 N 0.76 1.29 -0.58 -0.54 2.02 -1.87 -2.77 112.91 111.22 1fup h THR 26 Ca 0.22 -1.76 -0.09 0.00 0.77 0.00 0.00 66.41 65.55 1fup h THR 26 Cb -0.05 1.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1fup h THR 26 CO -0.05 0.56 -0.01 -0.61 0.37 0.00 0.00 175.52 175.79 1fup h GLN 27 N 0.57 1.02 -0.38 6.66 5.75 -0.70 -1.73 115.11 126.31 1fup h GLN 27 Ca 0.01 -0.32 -0.06 0.00 -0.15 0.00 0.00 58.65 58.14 1fup h GLN 27 Cb 1.13 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.57 1fup h GLN 27 CO 0.11 1.01 0.02 0.00 -2.65 0.00 0.00 178.83 177.32 1fup h ARG 28 N 0.94 0.66 -0.45 1.69 3.08 -1.10 -2.84 114.38 116.35 1fup h ARG 28 Ca 0.17 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1fup h ARG 28 Cb 0.55 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 1fup h ARG 28 CO 0.03 0.75 0.15 0.77 -1.07 0.00 0.00 179.97 180.59 1fup h SER 29 N 0.49 0.60 0.30 7.04 0.02 -1.39 -0.37 113.55 120.24 1fup h SER 29 Ca 0.11 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1fup h SER 29 Cb 0.43 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 1fup h SER 29 CO 0.02 0.58 -0.10 0.25 -1.14 0.00 0.00 176.83 176.43 1fup h LEU 30 N 0.65 0.00 0.00 5.07 5.85 -1.10 0.21 115.31 125.99 1fup h LEU 30 Ca 0.15 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 1fup h LEU 30 Cb 0.19 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1fup h LEU 30 CO -0.01 0.10 -1.78 -0.62 -0.34 0.00 0.00 178.44 175.79 1fup n GLU 31 N -3.69 0.65 -0.01 1.25 1.02 -0.46 -4.47 120.64 114.93 1fup n GLU 31 Ca -0.02 -0.07 0.04 0.00 -0.02 0.00 0.00 57.16 57.08 1fup n GLU 31 Cb 0.21 -1.61 -0.13 0.00 -0.02 0.00 0.00 31.44 29.89 1fup n GLU 31 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1fup n HIS 32 N -2.45 0.31 -3.04 -0.32 8.25 -0.28 -4.62 115.22 113.07 1fup n HIS 32 Ca -0.07 0.10 -0.28 0.00 -0.26 0.00 0.00 57.72 57.21 1fup n HIS 32 Cb 0.65 -0.80 -0.05 0.00 1.12 0.00 0.00 29.99 30.92 1fup n HIS 32 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1fup n PHE 33 N -2.56 3.86 -2.29 4.41 3.72 0.68 -4.93 117.46 120.36 1fup n PHE 33 Ca -0.12 -3.93 -0.41 0.00 -0.05 0.00 0.00 57.45 52.93 1fup n PHE 33 Cb 0.77 -0.56 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 1fup n PHE 33 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1fup n ARG 34 N 0.06 4.32 -3.97 -1.08 1.74 -1.26 -4.58 116.66 111.90 1fup n ARG 34 Ca 0.32 -3.72 -0.34 0.00 -0.77 0.00 0.00 57.85 53.33 1fup n ARG 34 Cb 0.39 -2.71 -0.15 0.00 -1.02 0.00 0.00 32.46 28.97 1fup n ARG 34 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1fup s ILE 35 N -1.09 2.94 0.00 0.55 1.01 -1.26 -5.06 121.20 118.30 1fup s ILE 35 Ca 0.45 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 60.35 1fup s ILE 35 Cb 0.14 -2.37 0.00 0.00 0.01 0.00 0.00 42.46 40.24 1fup s ILE 35 CO -0.04 0.38 0.00 -0.24 0.00 0.00 0.00 174.94 175.04 1fup n SER 36 N 4.72 -1.54 -0.01 3.58 2.88 -1.26 -4.55 113.62 117.44 1fup n SER 36 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1fup n SER 36 Cb 0.49 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.95 1fup n SER 36 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1fup n THR 37 N 0.00 0.00 -2.45 2.46 -2.24 -1.26 -5.03 114.28 105.76 1fup n THR 37 Ca 0.00 -0.49 -0.42 0.00 -2.27 0.00 0.00 64.05 60.86 1fup n THR 37 Cb 0.00 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.21 1fup n THR 37 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1fup s GLU 38 N -0.52 4.36 0.47 -0.78 8.01 -1.26 -5.01 118.70 123.97 1fup s GLU 38 Ca 0.00 1.69 0.04 0.00 0.01 0.00 0.00 54.97 56.72 1fup s GLU 38 Cb 0.00 -3.53 -0.03 0.00 -4.31 0.00 0.00 34.13 26.27 1fup s GLU 38 CO 0.01 -0.42 0.11 0.15 0.01 0.00 0.00 175.26 175.13 1fup s LYS 39 N 2.07 2.16 0.33 1.61 -0.14 -1.26 -1.01 119.74 123.50 1fup s LYS 39 Ca 0.56 -2.15 -0.29 0.00 -1.36 0.00 0.00 55.97 52.74 1fup s LYS 39 Cb -0.25 -1.76 -0.11 0.00 -1.68 0.00 0.00 37.83 34.03 1fup s LYS 39 CO 0.23 -0.29 1.45 -1.64 -0.76 0.00 0.00 175.35 174.35 1fup s MET 40 N -3.92 4.20 0.50 1.68 -1.94 -1.23 -4.67 119.30 113.92 1fup s MET 40 Ca 0.25 2.43 -0.18 0.00 -1.71 0.00 0.00 55.69 56.48 1fup s MET 40 Cb 0.03 -3.03 -0.08 0.00 2.01 0.00 0.00 34.83 33.76 1fup s MET 40 CO 0.14 -0.44 0.99 -1.25 -0.01 0.00 0.00 175.02 174.44 1fup s PRO 41 N -1.40 3.96 0.29 2.03 0.04 -1.26 -4.89 135.00 133.77 1fup s PRO 41 Ca 0.55 1.04 0.03 0.00 0.04 0.00 0.00 61.00 62.66 1fup s PRO 41 Cb -0.44 -2.14 0.73 0.00 0.04 0.00 0.00 34.50 32.69 1fup s PRO 41 CO 0.54 -0.26 1.66 1.15 0.04 0.00 0.00 177.00 180.13 1fup h THR 42 N 1.17 0.37 -0.50 1.26 2.02 -1.99 0.05 112.91 115.28 1fup h THR 42 Ca -0.47 -0.09 0.03 0.00 0.77 0.00 0.00 66.41 66.64 1fup h THR 42 Cb 1.19 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 1fup h THR 42 CO 0.61 0.05 0.33 0.77 0.37 0.00 0.00 175.52 177.65 1fup h SER 43 N 0.27 0.50 0.04 4.18 4.64 -1.99 0.45 113.55 121.64 1fup h SER 43 Ca 0.56 -0.01 -0.27 0.00 -0.47 0.00 0.00 61.79 61.61 1fup h SER 43 Cb 1.12 -0.12 0.02 0.00 -0.31 0.00 0.00 62.40 63.12 1fup h SER 43 CO -0.61 0.34 -1.07 0.25 -0.87 0.00 0.00 176.83 174.87 1fup h LEU 44 N 0.58 0.87 -0.49 5.97 7.12 -1.38 -2.12 115.31 125.85 1fup h LEU 44 Ca 0.20 -0.77 0.02 0.00 0.13 0.00 0.00 57.88 57.46 1fup h LEU 44 Cb 0.09 -0.27 -0.03 0.00 -0.53 0.00 0.00 40.66 39.92 1fup h LEU 44 CO -0.05 1.54 0.30 0.40 -0.13 0.00 0.00 178.44 180.50 1fup h ILE 45 N 0.31 1.07 -0.39 4.05 1.08 -0.69 0.57 117.51 123.51 1fup h ILE 45 Ca -0.15 -0.21 -0.01 0.00 -0.39 0.00 0.00 64.86 64.11 1fup h ILE 45 Cb 1.74 0.41 -0.02 0.00 -3.07 0.00 0.00 36.82 35.88 1fup h ILE 45 CO 0.21 0.11 0.20 0.45 -0.69 0.00 0.00 178.15 178.43 1fup h HIS 46 N 0.60 0.55 -1.00 1.37 3.86 -0.95 -0.45 115.15 119.14 1fup h HIS 46 Ca 0.19 -0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.40 1fup h HIS 46 Cb -0.00 -0.17 -0.05 0.00 1.06 0.00 0.00 27.41 28.24 1fup h HIS 46 CO -0.06 0.45 0.66 0.00 0.86 0.00 0.00 177.93 179.84 1fup h ALA 47 N 1.05 1.30 -0.51 2.45 0.00 -0.90 0.19 119.26 122.85 1fup h ALA 47 Ca 0.14 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1fup h ALA 47 Cb 0.09 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1fup h ALA 47 CO -0.02 0.64 -0.02 1.25 0.00 0.00 0.00 179.25 181.10 1fup h LEU 48 N 1.34 0.89 -0.50 0.00 5.85 -0.45 -0.63 115.31 121.82 1fup h LEU 48 Ca 0.38 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1fup h LEU 48 Cb -0.12 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.65 1fup h LEU 48 CO -0.09 0.99 0.20 0.00 -0.34 0.00 0.00 178.44 179.20 1fup h ALA 49 N 0.93 0.65 -0.65 1.25 0.00 -0.31 -1.62 119.26 119.51 1fup h ALA 49 Ca 0.14 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1fup h ALA 49 Cb 0.55 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1fup h ALA 49 CO 0.03 0.26 0.30 -0.07 0.00 0.00 0.00 179.25 179.77 1fup h LEU 50 N 0.66 0.84 -0.65 0.00 3.38 -0.45 -0.16 115.31 118.93 1fup h LEU 50 Ca 0.17 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 1fup h LEU 50 Cb 0.20 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1fup h LEU 50 CO -0.01 0.72 0.04 0.74 0.09 0.00 0.00 178.44 180.01 1fup h THR 51 N 0.92 1.26 -0.29 0.22 2.02 -0.63 -1.60 112.91 114.81 1fup h THR 51 Ca 0.22 -1.12 -0.14 0.00 0.77 0.00 0.00 66.41 66.15 1fup h THR 51 Cb 0.11 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1fup h THR 51 CO -0.03 0.41 -0.39 0.11 0.37 0.00 0.00 175.52 175.99 1fup h LYS 52 N 1.00 0.69 0.00 6.66 1.79 -0.72 -1.80 116.57 124.19 1fup h LYS 52 Ca 0.18 -0.35 -0.00 0.00 -2.18 0.00 0.00 60.65 58.30 1fup h LYS 52 Cb 0.52 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1fup h LYS 52 CO 0.03 0.96 -0.00 -0.09 -1.08 0.00 0.00 179.45 179.26 1fup h ARG 53 N 0.57 -0.01 -0.68 3.15 2.43 -0.81 -0.64 114.38 118.39 1fup h ARG 53 Ca 0.05 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 1fup h ARG 53 Cb 0.92 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.44 1fup h ARG 53 CO 0.08 0.09 0.20 0.00 -1.51 0.00 0.00 179.97 178.84 1fup h ALA 54 N 0.89 1.06 -0.60 2.80 0.00 -1.27 -2.13 119.26 120.01 1fup h ALA 54 Ca -0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1fup h ALA 54 Cb 0.10 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1fup h ALA 54 CO 0.00 0.63 0.18 0.00 0.00 0.00 0.00 179.25 180.06 1fup h ALA 55 N 1.20 1.19 -0.38 0.00 0.00 -1.11 -1.81 119.26 118.34 1fup h ALA 55 Ca 0.22 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1fup h ALA 55 Cb 0.31 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1fup h ALA 55 CO -0.01 0.57 0.03 0.00 0.00 0.00 0.00 179.25 179.84 1fup h ALA 56 N 1.31 0.51 0.08 0.00 0.00 -0.79 -1.30 119.26 119.08 1fup h ALA 56 Ca 0.20 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1fup h ALA 56 Cb 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1fup h ALA 56 CO -0.01 0.26 -0.04 -0.22 0.00 0.00 0.00 179.25 179.24 1fup h LYS 57 N 0.49 -0.11 -0.50 0.00 1.63 -1.08 -1.39 116.57 115.61 1fup h LYS 57 Ca 0.11 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.89 1fup h LYS 57 Cb 0.43 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.06 1fup h LYS 57 CO 0.01 0.00 0.19 0.28 -3.45 0.00 0.00 179.45 176.48 1fup h VAL 58 N -0.19 1.22 -0.82 2.00 2.07 -1.35 -0.64 116.25 118.54 1fup h VAL 58 Ca -0.01 -0.70 0.06 0.00 0.82 0.00 0.00 66.70 66.87 1fup h VAL 58 Cb 0.16 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 1fup h VAL 58 CO 0.02 0.26 0.54 0.78 0.02 0.00 0.00 177.57 179.18 1fup h ASN 59 N 0.67 0.81 -0.22 0.57 2.35 -1.11 0.43 115.58 119.08 1fup h ASN 59 Ca 0.16 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.89 1fup h ASN 59 Cb 0.22 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1fup h ASN 59 CO -0.01 0.53 0.02 -0.08 -1.65 0.00 0.00 177.43 176.24 1fup h GLU 60 N 0.93 0.38 -0.73 0.81 4.81 -0.66 0.31 114.58 120.43 1fup h GLU 60 Ca 0.35 -0.11 0.02 0.00 -0.13 0.00 0.00 59.36 59.49 1fup h GLU 60 Cb 0.18 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 1fup h GLU 60 CO -0.12 0.54 0.48 -0.44 -0.73 0.00 0.00 179.01 178.74 1fup h ASP 61 N 0.17 0.79 -0.00 1.04 3.32 0.45 -0.77 116.42 121.42 1fup h ASP 61 Ca 0.07 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1fup h ASP 61 Cb 0.36 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1fup h ASP 61 CO 0.01 0.55 -0.00 0.18 -1.72 0.00 0.00 179.24 178.26 1fup n LEU 62 N -4.44 0.68 -0.33 1.55 4.77 -0.02 -4.91 117.00 114.29 1fup n LEU 62 Ca 0.09 -0.22 -0.04 0.00 -0.03 0.00 0.00 56.01 55.80 1fup n LEU 62 Cb 0.09 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 1fup n LEU 62 CO 0.35 0.11 -0.04 0.61 -1.33 0.00 0.00 177.39 177.10 1fup n GLY 63 N 1.08 0.62 0.08 -0.72 0.00 -0.29 -4.92 105.19 101.04 1fup n GLY 63 Ca 0.22 -0.87 0.12 0.00 0.00 0.00 0.00 46.02 45.49 1fup n GLY 63 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1fup h LEU 64 N 0.00 0.00 -7.80 0.99 3.38 -0.59 -3.46 115.31 107.83 1fup h LEU 64 Ca -0.08 -0.15 -0.28 0.00 0.09 0.00 0.00 57.88 57.45 1fup h LEU 64 Cb 0.37 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 40.83 1fup h LEU 64 CO 0.12 0.08 -0.74 -0.22 0.09 0.00 0.00 178.44 177.77 1fup s LEU 65 N -4.63 1.92 0.47 1.67 2.96 -1.05 -4.95 118.68 115.07 1fup s LEU 65 Ca 0.03 -0.04 -0.23 0.00 -0.22 0.00 0.00 54.13 53.67 1fup s LEU 65 Cb 0.12 -0.14 -0.07 0.00 0.50 0.00 0.00 46.19 46.60 1fup s LEU 65 CO 0.76 0.02 1.24 -0.94 -1.32 0.00 0.00 176.35 176.11 1fup s SER 66 N 0.05 5.97 0.27 3.68 1.04 -1.26 -4.33 113.70 119.12 1fup s SER 66 Ca -0.00 2.48 -0.01 0.00 0.48 0.00 0.00 55.95 58.90 1fup s SER 66 Cb -0.02 -2.62 0.49 0.00 0.10 0.00 0.00 66.02 63.97 1fup s SER 66 CO -0.00 -1.07 1.83 -0.08 0.98 0.00 0.00 173.24 174.90 1fup h GLU 67 N 2.02 0.92 -0.50 4.02 4.81 -1.98 0.02 114.58 123.89 1fup h GLU 67 Ca -0.50 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 58.74 1fup h GLU 67 Cb 1.26 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 30.38 1fup h GLU 67 CO 0.60 0.61 0.21 1.05 -0.73 0.00 0.00 179.01 180.75 1fup h GLU 68 N 0.95 0.40 0.03 1.92 4.11 -2.00 -1.25 114.58 118.74 1fup h GLU 68 Ca 0.46 -0.02 -0.15 0.00 0.07 0.00 0.00 59.36 59.72 1fup h GLU 68 Cb 0.42 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.60 1fup h GLU 68 CO -0.25 0.26 -0.61 0.87 0.07 0.00 0.00 179.01 179.35 1fup h LYS 69 N 0.41 0.35 -0.29 1.06 1.57 -1.79 -3.05 116.57 114.83 1fup h LYS 69 Ca 0.23 -0.42 0.07 0.00 -1.87 0.00 0.00 60.65 58.66 1fup h LYS 69 Cb 0.21 0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.59 1fup h LYS 69 CO -0.21 1.12 -0.15 0.00 -0.57 0.00 0.00 179.45 179.64 1fup h ALA 70 N 0.25 0.08 -0.37 3.86 0.00 -0.86 -0.88 119.26 121.35 1fup h ALA 70 Ca -0.09 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1fup h ALA 70 Cb 1.35 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 1fup h ALA 70 CO 0.12 -0.54 -0.12 0.66 0.00 0.00 0.00 179.25 179.36 1fup h SER 71 N -0.11 0.64 -0.53 0.00 4.64 -1.35 -2.33 113.55 114.51 1fup h SER 71 Ca 0.15 -0.18 -0.08 0.00 -0.47 0.00 0.00 61.79 61.21 1fup h SER 71 Cb 0.34 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 1fup h SER 71 CO -0.36 0.79 0.02 0.00 -0.87 0.00 0.00 176.83 176.41 1fup h ALA 72 N 1.27 0.71 -0.28 5.18 0.00 -1.27 -1.44 119.26 123.43 1fup h ALA 72 Ca 0.10 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1fup h ALA 72 Cb 0.56 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1fup h ALA 72 CO 0.03 0.51 0.12 0.82 0.00 0.00 0.00 179.25 180.73 1fup h ILE 73 N 0.79 1.17 -0.31 0.00 2.04 -1.01 -0.51 117.51 119.69 1fup h ILE 73 Ca 0.15 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1fup h ILE 73 Cb 0.50 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1fup h ILE 73 CO 0.02 0.18 0.14 0.03 0.00 0.00 0.00 178.15 178.52 1fup h ARG 74 N 0.31 0.42 -0.24 2.37 3.08 -1.29 0.99 114.38 120.02 1fup h ARG 74 Ca 0.09 -0.04 -0.20 0.00 0.07 0.00 0.00 59.98 59.90 1fup h ARG 74 Cb 0.17 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1fup h ARG 74 CO -0.01 0.34 -0.63 0.37 -1.07 0.00 0.00 179.97 178.97 1fup h GLN 75 N 0.42 0.85 -0.34 0.04 4.15 -0.82 -1.06 115.11 118.35 1fup h GLN 75 Ca 0.11 -0.59 -0.08 0.00 0.77 0.00 0.00 58.65 58.86 1fup h GLN 75 Cb 0.06 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.83 1fup h GLN 75 CO -0.01 1.22 -0.13 0.00 -1.93 0.00 0.00 178.83 177.97 1fup h ALA 76 N 0.64 1.14 -0.22 3.38 0.00 -0.25 -2.50 119.26 121.46 1fup h ALA 76 Ca -0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1fup h ALA 76 Cb 1.25 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1fup h ALA 76 CO 0.14 0.54 0.08 0.00 0.00 0.00 0.00 179.25 180.00 1fup h ALA 77 N 1.31 0.28 0.00 0.00 0.00 -0.58 -2.52 119.26 117.76 1fup h ALA 77 Ca 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1fup h ALA 77 Cb 0.55 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1fup h ALA 77 CO 0.03 -0.10 -0.02 -0.44 0.00 0.00 0.00 179.25 178.72 1fup h ASP 78 N 0.19 0.00 0.02 0.00 3.32 -0.98 -0.72 116.42 118.25 1fup h ASP 78 Ca 0.07 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.99 1fup h ASP 78 Cb 0.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1fup h ASP 78 CO -0.00 0.02 -0.43 -0.33 -1.72 0.00 0.00 179.24 176.78 1fup h GLU 79 N 0.00 0.50 -0.33 3.56 5.08 -1.04 -0.16 114.58 122.21 1fup h GLU 79 Ca -0.00 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 58.04 1fup h GLU 79 Cb 0.04 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1fup h GLU 79 CO 0.00 0.84 -0.04 0.28 -1.00 0.00 0.00 179.01 179.09 1fup h VAL 80 N 0.41 1.27 -0.17 3.13 2.07 -0.84 -0.95 116.25 121.18 1fup h VAL 80 Ca 0.03 -1.05 -0.03 0.00 0.82 0.00 0.00 66.70 66.48 1fup h VAL 80 Cb 0.92 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1fup h VAL 80 CO 0.08 0.34 -0.03 -0.07 0.02 0.00 0.00 177.57 177.91 1fup h LEU 81 N 0.39 0.22 0.00 2.57 3.38 -1.04 -0.99 115.31 119.85 1fup h LEU 81 Ca 0.09 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1fup h LEU 81 Cb 0.51 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1fup h LEU 81 CO 0.02 0.30 0.00 0.00 0.09 0.00 0.00 178.44 178.85 1fup n ALA 82 N -2.50 2.41 -0.99 1.53 0.00 -0.09 -4.87 120.51 116.01 1fup n ALA 82 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1fup n ALA 82 Cb 0.19 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1fup n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fup n GLY 83 N 0.76 0.41 0.15 0.00 0.00 -0.37 -4.95 105.19 101.19 1fup n GLY 83 Ca 0.17 -1.03 0.12 0.00 0.00 0.00 0.00 46.02 45.28 1fup n GLY 83 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1fup h GLN 84 N 0.00 0.00 -0.11 1.61 4.20 -1.34 -3.37 115.11 116.11 1fup h GLN 84 Ca 0.00 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 1fup h GLN 84 Cb 0.04 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 27.66 1fup h GLN 84 CO 0.00 0.00 -0.70 0.72 -0.67 0.00 0.00 178.83 178.18 1fup n HIS 85 N -2.67 0.37 -0.24 2.96 8.25 -1.26 -4.85 115.22 117.79 1fup n HIS 85 Ca 0.03 -1.37 0.02 0.00 -0.26 0.00 0.00 57.72 56.15 1fup n HIS 85 Cb 0.50 -0.24 0.15 0.00 1.12 0.00 0.00 29.99 31.52 1fup n HIS 85 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1fup h ASP 86 N 1.21 0.36 0.06 0.41 3.32 -1.89 -0.88 116.42 119.00 1fup h ASP 86 Ca -0.02 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1fup h ASP 86 Cb 1.29 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1fup h ASP 86 CO 0.12 0.19 0.00 -0.90 -1.72 0.00 0.00 179.24 176.93 1fup n ASP 87 N -4.93 0.00 -0.46 6.45 5.75 -1.26 -3.20 116.55 118.90 1fup n ASP 87 Ca 0.12 -0.38 0.13 0.00 -0.01 0.00 0.00 54.79 54.65 1fup n ASP 87 Cb 0.32 -0.06 0.51 0.00 -1.03 0.00 0.00 41.12 40.86 1fup n ASP 87 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1fup n GLU 88 N -1.06 1.63 -3.81 0.11 -0.58 -0.34 -4.59 120.64 112.01 1fup n GLU 88 Ca 0.11 -0.92 -0.29 0.00 -0.42 0.00 0.00 57.16 55.64 1fup n GLU 88 Cb 0.07 -1.46 -0.13 0.00 -0.57 0.00 0.00 31.44 29.36 1fup n GLU 88 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1fup s PHE 89 N -1.94 2.74 -2.62 -0.32 0.08 -1.19 -4.74 117.98 109.98 1fup s PHE 89 Ca 0.37 -2.92 0.27 0.00 0.12 0.00 0.00 56.93 54.76 1fup s PHE 89 Cb 0.20 -2.32 0.81 0.00 -0.57 0.00 0.00 43.02 41.15 1fup s PHE 89 CO 0.32 -0.70 1.61 -0.35 -0.10 0.00 0.00 175.22 176.00 1fup n PRO 90 N 2.84 1.85 -2.18 0.24 -0.04 -1.26 -4.83 135.00 131.61 1fup n PRO 90 Ca 0.13 -1.23 -0.41 0.00 -0.04 0.00 0.00 63.50 61.96 1fup n PRO 90 Cb 0.35 -1.47 -0.02 0.00 -0.04 0.00 0.00 33.50 32.32 1fup n PRO 90 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1fup s LEU 91 N -1.98 4.44 0.58 1.53 1.43 -1.26 -4.99 118.68 118.44 1fup s LEU 91 Ca 0.35 2.61 -0.16 0.00 -1.03 0.00 0.00 54.13 55.90 1fup s LEU 91 Cb 0.21 -3.66 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 1fup s LEU 91 CO 0.32 -0.47 1.05 0.00 0.23 0.00 0.00 176.35 177.48 1fup s ALA 92 N -1.15 2.80 0.26 4.21 0.00 -1.26 -3.53 121.76 123.09 1fup s ALA 92 Ca 0.48 0.34 -0.02 0.00 0.00 0.00 0.00 51.96 52.76 1fup s ALA 92 Cb -0.38 -3.21 0.35 0.00 0.00 0.00 0.00 23.12 19.88 1fup s ALA 92 CO 0.50 -0.73 1.78 0.82 0.00 0.00 0.00 175.76 178.13 1fup h ILE 93 N 0.46 1.24 -0.04 0.00 1.08 -1.34 -3.34 117.51 115.56 1fup h ILE 93 Ca -0.47 -0.95 -0.70 0.00 -0.39 0.00 0.00 64.86 62.35 1fup h ILE 93 Cb 1.21 0.82 -0.03 0.00 -3.07 0.00 0.00 36.82 35.75 1fup h ILE 93 CO 0.58 0.34 3.00 0.79 -0.69 0.00 0.00 178.15 182.18 1fup n TRP 94 N -4.23 3.43 -2.28 1.37 7.02 -1.26 -4.65 117.44 116.84 1fup n TRP 94 Ca 0.03 -2.85 0.00 0.00 -1.02 0.00 0.00 57.50 53.66 1fup n TRP 94 Cb 0.28 -2.48 0.00 0.00 -2.42 0.00 0.00 31.31 26.69 1fup n TRP 94 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1fup n GLN 95 N 6.31 3.53 -2.05 -0.99 10.64 -1.26 -4.79 117.38 128.77 1fup n GLN 95 Ca 0.52 0.00 -0.41 0.00 -1.83 0.00 0.00 57.00 55.28 1fup n GLN 95 Cb 0.40 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.76 1fup n GLN 95 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.06 175.15 1fup s THR 96 N 1.57 2.64 0.62 -0.39 -1.32 -1.26 -4.90 115.64 112.60 1fup s THR 96 Ca 0.00 0.61 0.35 0.00 -1.21 0.00 0.00 61.69 61.44 1fup s THR 96 Cb 0.00 -3.39 0.35 0.00 -1.51 0.00 0.00 72.50 67.95 1fup s THR 96 CO 0.00 0.13 2.08 1.23 -2.21 0.00 0.00 174.62 175.85 1fup h GLY 97 N 3.85 0.00 1.01 6.08 0.00 -1.95 -1.19 103.07 110.88 1fup h GLY 97 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1fup h GLY 97 CO 0.69 0.00 -0.60 -1.14 0.00 0.00 0.00 176.54 175.49 1fup n SER 98 N -2.92 0.57 0.00 0.19 3.41 -1.26 -2.25 113.62 111.37 1fup n SER 98 Ca -0.02 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 1fup n SER 98 Cb 0.24 0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1fup n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fup n GLY 99 N 1.43 0.38 0.24 5.00 0.00 -0.45 -4.72 105.19 107.08 1fup n GLY 99 Ca 0.04 -1.08 -0.03 0.00 0.00 0.00 0.00 46.02 44.95 1fup n GLY 99 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1fup h THR 100 N 0.00 0.98 0.05 2.61 2.02 -1.88 -1.85 112.91 114.84 1fup h THR 100 Ca 0.00 -0.22 0.03 0.00 0.77 0.00 0.00 66.41 66.99 1fup h THR 100 Cb 0.06 0.29 -0.04 0.00 -1.74 0.00 0.00 68.15 66.72 1fup h THR 100 CO 0.00 0.12 -0.28 1.56 0.37 0.00 0.00 175.52 177.29 1fup h GLN 101 N 0.64 -0.43 0.00 6.66 7.50 -1.92 0.34 115.11 127.90 1fup h GLN 101 Ca 0.27 0.03 -0.02 0.00 0.50 0.00 0.00 58.65 59.43 1fup h GLN 101 Cb 0.14 0.10 -0.00 0.00 0.05 0.00 0.00 27.48 27.77 1fup h GLN 101 CO -0.16 -0.29 -0.08 0.77 -1.50 0.00 0.00 178.83 177.57 1fup h SER 102 N -0.45 0.00 -0.32 1.46 0.02 -1.90 0.22 113.55 112.58 1fup h SER 102 Ca 0.05 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.88 1fup h SER 102 Cb 0.51 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 1fup h SER 102 CO -0.20 0.08 -0.24 -1.13 -1.14 0.00 0.00 176.83 174.20 1fup h ASN 103 N 0.00 0.77 -0.07 3.07 -1.24 -0.47 -2.31 115.58 115.34 1fup h ASN 103 Ca -0.00 -0.44 -0.10 0.00 0.71 0.00 0.00 56.30 56.46 1fup h ASN 103 Cb 0.15 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 38.97 1fup h ASN 103 CO 0.01 1.05 -0.27 0.24 -1.29 0.00 0.00 177.43 177.17 1fup h MET 104 N 0.50 0.51 -0.42 6.67 2.86 0.10 -1.44 114.93 123.71 1fup h MET 104 Ca 0.06 -0.20 0.02 0.00 -2.06 0.00 0.00 59.70 57.52 1fup h MET 104 Cb 0.80 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.41 1fup h MET 104 CO 0.06 0.74 0.24 -0.97 1.06 0.00 0.00 176.91 178.05 1fup h ASN 105 N 0.45 0.39 -0.26 1.22 -0.73 -0.40 -0.47 115.58 115.79 1fup h ASN 105 Ca 0.06 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 58.10 1fup h ASN 105 Cb 0.71 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 39.21 1fup h ASN 105 CO 0.05 0.28 -0.32 -0.03 -0.37 0.00 0.00 177.43 177.05 1fup h MET 106 N 0.49 0.78 -0.48 6.67 4.05 -1.18 -1.79 114.93 123.47 1fup h MET 106 Ca 0.17 -0.36 -0.03 0.00 -0.28 0.00 0.00 59.70 59.19 1fup h MET 106 Cb 0.01 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 1fup h MET 106 CO -0.08 0.99 0.17 -0.91 0.23 0.00 0.00 176.91 177.31 1fup h ASN 107 N 0.65 0.68 -0.21 1.39 2.35 -0.79 -0.65 115.58 118.99 1fup h ASN 107 Ca 0.07 -0.19 -0.07 0.00 -0.55 0.00 0.00 56.30 55.56 1fup h ASN 107 Cb 0.86 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 39.04 1fup h ASN 107 CO 0.07 0.68 -0.16 -0.33 -1.65 0.00 0.00 177.43 176.05 1fup h GLU 108 N 0.63 0.48 -0.34 0.81 5.08 -1.03 0.21 114.58 120.42 1fup h GLU 108 Ca 0.16 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1fup h GLU 108 Cb 0.24 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1fup h GLU 108 CO -0.01 0.79 0.14 0.28 -1.00 0.00 0.00 179.01 179.22 1fup h VAL 109 N 0.17 1.18 -0.50 3.13 2.07 -1.31 -1.12 116.25 119.86 1fup h VAL 109 Ca 0.04 -0.55 -0.11 0.00 0.82 0.00 0.00 66.70 66.90 1fup h VAL 109 Cb 0.68 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1fup h VAL 109 CO 0.04 0.19 -0.14 -0.07 0.02 0.00 0.00 177.57 177.62 1fup h LEU 110 N 0.41 0.96 -0.18 2.57 4.07 -1.11 -1.95 115.31 120.08 1fup h LEU 110 Ca 0.12 -0.32 -0.04 0.00 0.08 0.00 0.00 57.88 57.71 1fup h LEU 110 Cb 0.17 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.64 1fup h LEU 110 CO -0.01 1.09 -0.05 0.00 -1.08 0.00 0.00 178.44 178.39 1fup h ALA 111 N 0.99 0.25 -0.22 1.53 0.00 -0.81 -0.55 119.26 120.45 1fup h ALA 111 Ca 0.13 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1fup h ALA 111 Cb 0.69 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1fup h ALA 111 CO 0.05 0.02 0.13 -0.91 0.00 0.00 0.00 179.25 178.54 1fup h ASN 112 N 0.05 0.26 -0.51 0.00 2.35 -1.19 -0.77 115.58 115.77 1fup h ASN 112 Ca 0.04 -0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 1fup h ASN 112 Cb 0.50 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 1fup h ASN 112 CO 0.02 0.23 -0.02 -0.09 -1.65 0.00 0.00 177.43 175.92 1fup h ARG 113 N 0.26 0.92 0.00 0.81 9.65 -1.38 -2.43 114.38 122.21 1fup h ARG 113 Ca 0.08 -0.30 -0.02 0.00 -1.10 0.00 0.00 59.98 58.64 1fup h ARG 113 Cb 0.02 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 28.52 1fup h ARG 113 CO -0.01 0.95 -0.08 0.00 2.80 0.00 0.00 179.97 183.63 1fup h ALA 114 N 0.93 1.81 0.08 2.80 0.00 -0.83 -0.71 119.26 123.35 1fup h ALA 114 Ca 0.14 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1fup h ALA 114 Cb 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1fup h ALA 114 CO 0.03 0.09 -0.04 1.03 0.00 0.00 0.00 179.25 180.36 1fup h SER 115 N 0.00 -0.10 -0.65 0.00 0.87 -0.68 -2.69 113.55 110.31 1fup h SER 115 Ca -0.00 -0.37 0.08 0.00 -1.23 0.00 0.00 61.79 60.27 1fup h SER 115 Cb 0.14 0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 62.06 1fup h SER 115 CO 0.01 0.34 0.30 -0.33 -0.53 0.00 0.00 176.83 176.62 1fup h GLU 116 N -0.56 0.52 -0.01 2.24 5.08 -1.02 0.20 114.58 121.03 1fup h GLU 116 Ca -0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1fup h GLU 116 Cb 0.46 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1fup h GLU 116 CO 0.02 0.34 0.03 -0.07 -1.00 0.00 0.00 179.01 178.33 1fup h LEU 117 N 0.53 0.00 -3.76 1.33 4.07 -1.10 0.78 115.31 117.16 1fup h LEU 117 Ca 0.31 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 58.03 1fup h LEU 117 Cb 0.32 0.00 -0.15 0.00 1.08 0.00 0.00 40.66 41.92 1fup h LEU 117 CO -0.26 0.00 0.30 0.18 -1.08 0.00 0.00 178.44 177.59 1fup n LEU 118 N -3.35 6.14 0.00 1.67 4.77 0.35 -4.87 117.00 121.71 1fup n LEU 118 Ca -0.03 -3.27 0.00 0.00 -0.03 0.00 0.00 56.01 52.68 1fup n LEU 118 Cb 0.11 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.44 1fup n LEU 118 CO 0.22 0.84 0.00 0.61 -1.33 0.00 0.00 177.39 177.73 1fup n GLY 119 N -0.27 0.44 0.00 -0.72 0.00 0.26 -5.00 105.19 99.90 1fup n GLY 119 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1fup n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fup n GLY 120 N -2.14 1.04 3.51 -0.02 0.00 0.44 -4.95 105.19 103.06 1fup n GLY 120 Ca 0.00 -1.98 -0.25 0.00 0.00 0.00 0.00 46.02 43.79 1fup n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fup s VAL 121 N 0.55 2.45 0.23 1.61 0.11 -1.26 -3.76 120.40 120.34 1fup s VAL 121 Ca 0.00 -2.29 -0.19 0.00 -2.93 0.00 0.00 61.98 56.56 1fup s VAL 121 Cb 0.00 -2.47 -0.08 0.00 -1.53 0.00 0.00 36.38 32.29 1fup s VAL 121 CO 0.00 -0.32 0.73 0.00 -3.33 0.00 0.00 175.10 172.18 1fup s ARG 122 N -3.56 4.24 0.00 1.54 1.70 -1.26 -4.15 118.95 117.46 1fup s ARG 122 Ca 0.31 0.87 0.00 0.00 -0.47 0.00 0.00 55.73 56.44 1fup s ARG 122 Cb -0.02 -2.85 0.00 0.00 -0.57 0.00 0.00 34.95 31.51 1fup s ARG 122 CO 0.16 0.38 0.00 0.41 -1.08 0.00 0.00 175.30 175.16 1fup n GLY 123 N 0.65 -0.66 0.50 3.88 0.00 -1.26 -4.70 105.19 103.59 1fup n GLY 123 Ca -0.02 -2.16 0.31 0.00 0.00 0.00 0.00 46.02 44.15 1fup n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fup h MET 124 N 0.83 0.00 -0.78 1.61 -0.00 -1.93 -0.38 114.93 114.28 1fup h MET 124 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 59.70 59.38 1fup h MET 124 Cb 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 31.60 31.41 1fup h MET 124 CO 0.00 0.00 0.37 0.39 -0.00 0.00 0.00 176.91 177.67 1fup n GLU 125 N -3.86 2.92 -2.37 -0.10 -0.58 -1.26 -5.01 120.64 110.37 1fup n GLU 125 Ca 0.21 -3.06 -0.35 0.00 -0.42 0.00 0.00 57.16 53.54 1fup n GLU 125 Cb 1.16 -2.15 -0.01 0.00 -0.57 0.00 0.00 31.44 29.87 1fup n GLU 125 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 1fup s ARG 126 N -3.14 3.59 0.03 3.49 1.70 -0.16 -4.60 118.95 119.86 1fup s ARG 126 Ca 0.54 1.53 -0.10 0.00 -0.47 0.00 0.00 55.73 57.23 1fup s ARG 126 Cb 0.45 -2.10 -0.32 0.00 -0.57 0.00 0.00 34.95 32.41 1fup s ARG 126 CO 0.11 -0.64 0.96 0.87 -1.08 0.00 0.00 175.30 175.52 1fup h LYS 127 N 1.47 0.41 -5.33 3.89 1.57 -1.88 -3.44 116.57 113.26 1fup h LYS 127 Ca -0.50 -0.70 -0.60 0.00 -1.87 0.00 0.00 60.65 56.98 1fup h LYS 127 Cb 1.24 0.26 -0.11 0.00 0.08 0.00 0.00 32.23 33.70 1fup h LYS 127 CO 0.58 1.32 -0.45 0.08 -0.57 0.00 0.00 179.45 180.41 1fup s VAL 128 N -2.61 5.39 -0.19 0.50 1.01 -1.26 -5.04 120.40 118.19 1fup s VAL 128 Ca -0.09 0.27 -0.09 0.00 0.00 0.00 0.00 61.98 62.08 1fup s VAL 128 Cb 0.05 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 1fup s VAL 128 CO 0.90 0.43 0.10 -1.00 0.00 0.00 0.00 175.10 175.53 1fup s HIS 129 N 0.37 3.35 0.14 5.22 3.76 -1.26 -4.56 115.29 122.30 1fup s HIS 129 Ca 0.10 0.23 -0.25 0.00 -0.15 0.00 0.00 55.06 54.98 1fup s HIS 129 Cb -0.11 -2.12 -0.02 0.00 1.11 0.00 0.00 32.58 31.44 1fup s HIS 129 CO -0.01 0.24 1.62 -1.00 -0.85 0.00 0.00 174.74 174.75 1fup h PRO 130 N 6.63 -0.37 0.10 8.40 0.13 -1.93 0.54 132.00 145.51 1fup h PRO 130 Ca -0.40 0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.75 1fup h PRO 130 Cb 1.16 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1fup h PRO 130 CO 0.73 -0.25 -0.05 -0.91 -0.23 0.00 0.00 178.00 177.30 1fup h ASN 131 N -0.38 -0.12 -0.25 1.44 4.21 -1.95 -1.44 115.58 117.09 1fup h ASN 131 Ca 0.09 -0.30 -0.02 0.00 1.21 0.00 0.00 56.30 57.29 1fup h ASN 131 Cb 0.53 0.03 -0.02 0.00 -1.12 0.00 0.00 38.32 37.74 1fup h ASN 131 CO -0.33 0.49 0.11 0.44 -1.29 0.00 0.00 177.43 176.85 1fup h ASP 132 N -0.98 0.38 0.00 5.81 3.32 -1.92 -3.18 116.42 119.84 1fup h ASP 132 Ca -0.01 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1fup h ASP 132 Cb 0.41 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1fup h ASP 132 CO 0.02 0.36 -0.65 0.47 -1.72 0.00 0.00 179.24 177.72 1fup n ASP 133 N -4.40 1.58 -0.05 6.45 8.00 0.15 -4.36 116.55 123.92 1fup n ASP 133 Ca 0.01 0.26 -0.03 0.00 0.71 0.00 0.00 54.79 55.74 1fup n ASP 133 Cb 0.14 -0.60 0.20 0.00 -0.02 0.00 0.00 41.12 40.84 1fup n ASP 133 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1fup h VAL 134 N -0.65 1.24 -0.49 2.53 2.07 -1.29 -2.86 116.25 116.80 1fup h VAL 134 Ca 0.00 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.50 1fup h VAL 134 Cb 0.65 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1fup h VAL 134 CO 0.00 0.35 0.00 -3.20 0.02 0.00 0.00 177.57 174.74 1fup n ASN 135 N -4.20 5.01 -4.73 0.57 5.15 -0.56 -4.91 115.26 111.58 1fup n ASN 135 Ca 0.01 -2.78 -0.42 0.00 -0.60 0.00 0.00 54.58 50.80 1fup n ASN 135 Cb 0.32 -0.66 -0.03 0.00 -0.53 0.00 0.00 39.78 38.88 1fup n ASN 135 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1fup s LYS 136 N -2.48 4.24 -1.03 1.20 2.20 -1.08 -2.28 119.74 120.51 1fup s LYS 136 Ca 0.46 2.33 0.00 0.00 -0.36 0.00 0.00 55.97 58.40 1fup s LYS 136 Cb 0.35 -3.14 0.00 0.00 -1.51 0.00 0.00 37.83 33.53 1fup s LYS 136 CO 0.14 -0.52 0.00 0.43 -0.36 0.00 0.00 175.35 175.04 1fup n SER 137 N 3.24 -4.74 -4.35 1.43 7.64 -1.26 -4.98 113.62 110.59 1fup n SER 137 Ca 0.11 0.24 -0.28 0.00 1.01 0.00 0.00 58.87 59.95 1fup n SER 137 Cb 0.39 -3.09 -0.08 0.00 -1.01 0.00 0.00 64.21 60.42 1fup n SER 137 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1fup s GLN 138 N -2.62 2.01 -0.00 1.43 -0.21 -0.97 -4.85 119.66 114.46 1fup s GLN 138 Ca 0.00 -2.24 -0.20 0.00 0.02 0.00 0.00 55.36 52.94 1fup s GLN 138 Cb 0.00 -0.95 0.04 0.00 1.00 0.00 0.00 33.01 33.10 1fup s GLN 138 CO 0.00 -0.42 0.43 0.45 -2.12 0.00 0.00 175.29 173.63 1fup s SER 139 N -3.69 -0.33 0.45 5.90 0.15 -1.26 -4.96 113.70 109.96 1fup s SER 139 Ca 0.19 0.20 0.11 0.00 0.70 0.00 0.00 55.95 57.14 1fup s SER 139 Cb 0.03 0.40 1.01 0.00 -1.71 0.00 0.00 66.02 65.75 1fup s SER 139 CO 0.11 -0.56 2.08 0.28 1.20 0.00 0.00 173.24 176.35 1fup h SER 140 N 3.38 0.30 -0.77 5.45 0.02 -1.95 -1.38 113.55 118.60 1fup h SER 140 Ca -0.30 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 60.68 1fup h SER 140 Cb 1.18 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 63.60 1fup h SER 140 CO 0.41 0.22 0.49 0.78 -1.14 0.00 0.00 176.83 177.58 1fup h ASN 141 N 0.36 0.80 0.00 3.07 2.35 -1.87 -2.64 115.58 117.65 1fup h ASN 141 Ca 0.11 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1fup h ASN 141 Cb 0.02 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.21 1fup h ASN 141 CO -0.02 0.55 -1.41 -0.90 -1.65 0.00 0.00 177.43 174.00 1fup n ASP 142 N -4.62 0.61 -0.02 5.81 5.75 -1.08 -4.36 116.55 118.64 1fup n ASP 142 Ca 0.09 -0.55 -0.16 0.00 -0.01 0.00 0.00 54.79 54.16 1fup n ASP 142 Cb 0.09 1.43 -0.12 0.00 -1.03 0.00 0.00 41.12 41.48 1fup n ASP 142 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1fup h VAL 143 N 0.00 1.58 -0.42 2.12 2.07 -1.16 -3.14 116.25 117.30 1fup h VAL 143 Ca 0.00 -2.15 -0.00 0.00 0.82 0.00 0.00 66.70 65.37 1fup h VAL 143 Cb 0.70 2.96 -0.02 0.00 -1.52 0.00 0.00 31.29 33.41 1fup h VAL 143 CO 0.00 0.59 0.26 0.15 0.02 0.00 0.00 177.57 178.59 1fup h PHE 144 N -0.54 0.54 -0.52 1.57 3.57 -1.70 -0.91 116.94 118.96 1fup h PHE 144 Ca -0.05 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 1fup h PHE 144 Cb 1.15 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.69 1fup h PHE 144 CO 0.20 0.38 0.28 -1.35 -2.23 0.00 0.00 178.31 175.58 1fup h PRO 145 N 0.55 0.71 -0.36 6.41 0.11 -1.76 -0.56 132.00 137.10 1fup h PRO 145 Ca 0.15 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.15 1fup h PRO 145 Cb -0.01 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 30.94 1fup h PRO 145 CO -0.03 0.52 0.07 1.15 -0.21 0.00 0.00 178.00 179.51 1fup h THR 146 N 0.71 1.23 -0.80 -1.15 2.02 -1.38 -2.10 112.91 111.44 1fup h THR 146 Ca 0.18 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 66.56 1fup h THR 146 Cb 0.03 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 1fup h THR 146 CO -0.03 0.27 0.45 0.00 0.37 0.00 0.00 175.52 176.58 1fup h ALA 147 N 0.92 1.29 -0.37 6.16 0.00 -0.65 -1.28 119.26 125.33 1fup h ALA 147 Ca 0.11 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1fup h ALA 147 Cb 0.32 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1fup h ALA 147 CO 0.00 0.59 0.22 0.52 0.00 0.00 0.00 179.25 180.58 1fup h MET 148 N 1.12 0.51 -0.27 0.00 2.86 -0.79 -1.35 114.93 117.00 1fup h MET 148 Ca 0.29 -0.05 -0.14 0.00 -2.06 0.00 0.00 59.70 57.73 1fup h MET 148 Cb 0.00 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 1fup h MET 148 CO -0.05 0.39 -0.41 0.45 1.06 0.00 0.00 176.91 178.35 1fup h HIS 149 N 0.48 0.79 0.02 -0.22 3.86 -1.02 -0.98 115.15 118.08 1fup h HIS 149 Ca 0.13 -0.23 -0.00 0.00 -1.16 0.00 0.00 60.37 59.11 1fup h HIS 149 Cb 0.02 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.32 1fup h HIS 149 CO -0.03 0.96 -0.01 0.28 0.86 0.00 0.00 177.93 179.99 1fup h VAL 150 N 0.54 1.09 -0.43 2.45 2.07 -1.08 -0.40 116.25 120.48 1fup h VAL 150 Ca 0.04 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1fup h VAL 150 Cb 0.94 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 1fup h VAL 150 CO 0.09 0.08 0.28 0.00 0.02 0.00 0.00 177.57 178.03 1fup h ALA 151 N 0.81 0.55 0.12 1.67 0.00 -1.21 -1.59 119.26 119.60 1fup h ALA 151 Ca -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1fup h ALA 151 Cb 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1fup h ALA 151 CO 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 179.25 179.21 1fup h ALA 152 N 1.14 -0.16 -0.62 0.00 0.00 -1.07 -0.82 119.26 117.73 1fup h ALA 152 Ca 0.16 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1fup h ALA 152 Cb -0.04 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1fup h ALA 152 CO -0.03 -0.52 0.27 1.25 0.00 0.00 0.00 179.25 180.22 1fup h LEU 153 N -0.31 0.83 -0.83 0.00 5.85 -1.02 -1.02 115.31 118.81 1fup h LEU 153 Ca -0.02 -0.15 -0.09 0.00 0.84 0.00 0.00 57.88 58.46 1fup h LEU 153 Cb 0.25 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1fup h LEU 153 CO 0.03 0.75 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.72 1fup h LEU 154 N 0.86 0.76 -0.51 2.25 3.38 -1.28 0.05 115.31 120.83 1fup h LEU 154 Ca 0.21 -0.22 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 1fup h LEU 154 Cb 0.16 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1fup h LEU 154 CO -0.02 0.89 -0.18 0.00 0.09 0.00 0.00 178.44 179.21 1fup h ALA 155 N 1.19 0.71 -0.17 1.53 0.00 -0.88 0.96 119.26 122.61 1fup h ALA 155 Ca 0.12 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1fup h ALA 155 Cb 0.56 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1fup h ALA 155 CO 0.03 0.68 -0.08 -0.07 0.00 0.00 0.00 179.25 179.81 1fup h LEU 156 N 0.89 0.36 -0.08 0.00 3.38 -0.94 -0.90 115.31 118.02 1fup h LEU 156 Ca 0.12 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 1fup h LEU 156 Cb 0.76 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1fup h LEU 156 CO 0.06 0.70 -0.10 0.03 0.09 0.00 0.00 178.44 179.22 1fup h ARG 157 N 0.03 0.20 0.13 1.13 3.08 -0.96 -1.37 114.38 116.63 1fup h ARG 157 Ca 0.04 -0.12 -0.28 0.00 0.07 0.00 0.00 59.98 59.69 1fup h ARG 157 Cb 0.56 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1fup h ARG 157 CO 0.02 0.66 -1.29 0.87 -1.07 0.00 0.00 179.97 179.16 1fup h LYS 158 N -0.24 0.28 0.00 0.04 1.57 -0.90 -3.39 116.57 113.93 1fup h LYS 158 Ca 0.01 -0.48 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1fup h LYS 158 Cb 0.64 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1fup h LYS 158 CO 0.02 1.22 -0.73 1.04 -0.57 0.00 0.00 179.45 180.43 1fup n GLN 159 N -3.53 0.38 0.49 3.15 3.00 -0.40 -4.67 117.38 115.80 1fup n GLN 159 Ca -0.10 0.15 -0.20 0.00 -0.01 0.00 0.00 57.00 56.84 1fup n GLN 159 Cb 1.03 -1.17 -0.10 0.00 0.00 0.00 0.00 30.24 30.00 1fup n GLN 159 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 1fup h LEU 160 N -0.73 -1.20 -0.58 1.08 7.12 -1.41 -3.00 115.31 116.59 1fup h LEU 160 Ca 0.00 0.05 0.08 0.00 0.13 0.00 0.00 57.88 58.14 1fup h LEU 160 Cb 0.73 0.33 -0.06 0.00 -0.53 0.00 0.00 40.66 41.13 1fup h LEU 160 CO 0.00 -0.79 0.24 0.40 -0.13 0.00 0.00 178.44 178.16 1fup h ILE 161 N -1.29 0.84 -0.57 4.05 2.04 -1.46 -1.06 117.51 120.05 1fup h ILE 161 Ca -0.12 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 1fup h ILE 161 Cb 1.01 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 1fup h ILE 161 CO 0.17 0.08 0.26 -0.65 0.00 0.00 0.00 178.15 178.01 1fup h PRO 162 N 0.45 0.83 -0.59 2.37 0.11 -1.76 -1.33 132.00 132.09 1fup h PRO 162 Ca 0.28 -0.13 -0.05 0.00 0.11 0.00 0.00 66.00 66.21 1fup h PRO 162 Cb 0.29 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.23 1fup h PRO 162 CO -0.25 0.69 0.16 1.96 -0.21 0.00 0.00 178.00 180.35 1fup h GLN 163 N 0.78 0.90 -0.39 1.05 1.08 -1.33 -1.53 115.11 115.67 1fup h GLN 163 Ca 0.19 -0.18 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 1fup h GLN 163 Cb 0.14 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 1fup h GLN 163 CO -0.02 0.79 0.16 1.25 -0.95 0.00 0.00 178.83 180.06 1fup h LEU 164 N 0.87 0.54 -0.24 1.46 5.85 -0.84 -1.99 115.31 120.95 1fup h LEU 164 Ca 0.19 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1fup h LEU 164 Cb 0.28 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1fup h LEU 164 CO -0.01 0.55 0.11 0.11 -0.34 0.00 0.00 178.44 178.87 1fup h LYS 165 N 0.49 0.35 -0.38 1.25 6.56 -1.00 -2.15 116.57 121.69 1fup h LYS 165 Ca 0.13 -0.06 0.05 0.00 -1.06 0.00 0.00 60.65 59.72 1fup h LYS 165 Cb 0.18 -0.06 -0.05 0.00 -0.57 0.00 0.00 32.23 31.73 1fup h LYS 165 CO -0.01 0.37 0.11 1.15 -2.06 0.00 0.00 179.45 179.01 1fup h THR 166 N 0.25 0.86 -0.87 -0.16 2.02 -1.16 -0.59 112.91 113.27 1fup h THR 166 Ca 0.08 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1fup h THR 166 Cb 0.14 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.09 1fup h THR 166 CO -0.01 0.05 0.45 0.25 0.37 0.00 0.00 175.52 176.63 1fup h LEU 167 N 0.26 1.10 -0.50 2.58 5.85 -1.27 -2.08 115.31 121.25 1fup h LEU 167 Ca 0.18 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1fup h LEU 167 Cb 0.18 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1fup h LEU 167 CO -0.20 0.90 0.14 0.74 -0.34 0.00 0.00 178.44 179.68 1fup h THR 168 N 1.22 1.24 -0.80 1.05 2.02 -0.75 -1.71 112.91 115.18 1fup h THR 168 Ca 0.30 -0.81 0.02 0.00 0.77 0.00 0.00 66.41 66.69 1fup h THR 168 Cb 0.06 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 1fup h THR 168 CO -0.05 0.29 0.52 -0.61 0.37 0.00 0.00 175.52 176.05 1fup h GLN 169 N 0.68 1.00 0.24 6.66 -0.00 -0.78 0.20 115.11 123.11 1fup h GLN 169 Ca 0.16 -0.06 -0.01 0.00 -0.00 0.00 0.00 58.65 58.74 1fup h GLN 169 Cb 0.31 -0.23 0.00 0.00 0.00 0.00 0.00 27.48 27.56 1fup h GLN 169 CO -0.00 0.66 -0.12 1.15 0.00 0.00 0.00 178.83 180.53 1fup h THR 170 N 1.03 0.82 -0.25 2.39 2.02 -1.06 -1.86 112.91 116.00 1fup h THR 170 Ca 0.31 -0.42 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 1fup h THR 170 Cb -0.05 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1fup h THR 170 CO -0.09 0.09 0.15 -0.07 0.37 0.00 0.00 175.52 175.97 1fup h LEU 171 N -0.54 0.29 -0.61 2.58 3.38 -1.07 -1.30 115.31 118.03 1fup h LEU 171 Ca -0.03 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1fup h LEU 171 Cb 0.40 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1fup h LEU 171 CO 0.05 0.22 0.12 -1.13 0.09 0.00 0.00 178.44 177.79 1fup h ASN 172 N 0.34 0.96 -0.54 -0.43 -0.00 -0.38 -0.42 115.58 115.11 1fup h ASN 172 Ca 0.09 -0.25 -0.07 0.00 -0.00 0.00 0.00 56.30 56.07 1fup h ASN 172 Cb -0.01 -0.25 -0.02 0.00 -0.00 0.00 0.00 38.32 38.03 1fup h ASN 172 CO -0.02 0.96 0.08 -0.33 -0.00 0.00 0.00 177.43 178.13 1fup h GLU 173 N 0.91 0.89 -0.64 6.67 5.08 -0.43 -2.61 114.58 124.45 1fup h GLU 173 Ca 0.19 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1fup h GLU 173 Cb 0.40 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1fup h GLU 173 CO 0.01 0.87 0.40 0.87 -1.00 0.00 0.00 179.01 180.16 1fup h LYS 174 N 0.78 0.86 -0.12 2.33 1.79 -0.96 0.48 116.57 121.73 1fup h LYS 174 Ca 0.16 -0.07 0.04 0.00 -2.18 0.00 0.00 60.65 58.60 1fup h LYS 174 Cb 0.42 -0.19 -0.05 0.00 -1.58 0.00 0.00 32.23 30.83 1fup h LYS 174 CO 0.01 0.60 -0.19 1.03 -1.08 0.00 0.00 179.45 179.82 1fup h SER 175 N 0.87 -0.59 -0.74 0.86 0.87 -0.90 -0.42 113.55 113.50 1fup h SER 175 Ca 0.23 0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.87 1fup h SER 175 Cb -0.05 0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 1fup h SER 175 CO -0.05 -0.24 0.36 -0.09 -0.53 0.00 0.00 176.83 176.28 1fup h ARG 176 N -0.25 1.06 -0.23 2.24 2.43 -1.19 -1.65 114.38 116.79 1fup h ARG 176 Ca 0.09 -0.15 -0.07 0.00 -0.81 0.00 0.00 59.98 59.05 1fup h ARG 176 Cb 0.39 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1fup h ARG 176 CO -0.26 0.82 -0.15 0.00 -1.51 0.00 0.00 179.97 178.87 1fup h ALA 177 N 1.18 1.33 -0.47 2.80 0.00 -0.39 -2.97 119.26 120.73 1fup h ALA 177 Ca 0.25 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1fup h ALA 177 Cb 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1fup h ALA 177 CO -0.03 0.45 0.00 1.19 0.00 0.00 0.00 179.25 180.86 1fup n PHE 178 N -4.21 1.38 0.19 0.00 3.72 -0.21 -4.69 117.46 113.63 1fup n PHE 178 Ca 0.00 -0.73 0.18 0.00 -0.05 0.00 0.00 57.45 56.85 1fup n PHE 178 Cb 0.31 -0.33 0.74 0.00 -0.94 0.00 0.00 39.48 39.27 1fup n PHE 178 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1fup h ALA 179 N 3.08 1.81 -0.02 4.37 0.00 -1.14 -2.18 119.26 125.19 1fup h ALA 179 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1fup h ALA 179 Cb 1.54 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1fup h ALA 179 CO 0.28 -0.57 -0.06 -0.40 0.00 0.00 0.00 179.25 178.50 1fup n ASP 180 N -3.31 2.13 -4.52 0.00 5.75 -1.26 -4.69 116.55 110.66 1fup n ASP 180 Ca 0.04 -1.57 -0.43 0.00 -0.01 0.00 0.00 54.79 52.82 1fup n ASP 180 Cb 0.56 0.10 -0.04 0.00 -1.03 0.00 0.00 41.12 40.71 1fup n ASP 180 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1fup s ILE 181 N -1.39 4.29 0.08 2.12 1.01 -0.86 -5.00 121.20 121.45 1fup s ILE 181 Ca 0.17 0.22 -0.30 0.00 0.00 0.00 0.00 60.65 60.74 1fup s ILE 181 Cb 0.13 -4.61 -0.05 0.00 0.01 0.00 0.00 42.46 37.93 1fup s ILE 181 CO 0.23 -1.26 1.01 -0.69 0.00 0.00 0.00 174.94 174.23 1fup s VAL 182 N 4.20 4.48 0.19 2.92 1.01 -1.26 -0.24 120.40 131.70 1fup s VAL 182 Ca 0.30 1.94 0.00 0.00 0.00 0.00 0.00 61.98 64.22 1fup s VAL 182 Cb -0.13 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 1fup s VAL 182 CO 0.18 0.24 0.08 -1.59 0.00 0.00 0.00 175.10 174.00 1fup s LYS 183 N 0.40 1.18 -0.00 2.72 -2.85 -0.09 -4.79 119.74 116.31 1fup s LYS 183 Ca 0.50 -1.60 -0.30 0.00 -1.00 0.00 0.00 55.97 53.57 1fup s LYS 183 Cb -0.24 0.01 -0.03 0.00 -2.06 0.00 0.00 37.83 35.50 1fup s LYS 183 CO 0.30 -0.28 1.01 -1.50 0.10 0.00 0.00 175.35 174.98 1fup s ILE 184 N -3.92 4.77 0.60 3.79 1.10 -1.26 -1.76 121.20 124.52 1fup s ILE 184 Ca 0.32 1.99 -0.11 0.00 -0.51 0.00 0.00 60.65 62.34 1fup s ILE 184 Cb 0.07 -4.28 -0.04 0.00 0.15 0.00 0.00 42.46 38.36 1fup s ILE 184 CO 0.08 0.14 1.01 -0.83 -2.11 0.00 0.00 174.94 173.24 1fup s GLY 185 N 1.03 1.68 -0.02 1.50 0.00 -0.80 -4.85 107.32 105.86 1fup s GLY 185 Ca 0.52 -0.09 0.00 0.00 0.00 0.00 0.00 44.72 45.16 1fup s GLY 185 CO 0.27 0.18 0.02 0.50 0.00 0.00 0.00 173.10 174.07 1fup s ARG 186 N -5.07 0.10 -0.02 2.90 0.52 -1.26 -0.65 118.95 115.48 1fup s ARG 186 Ca 0.55 0.15 0.03 0.00 -0.52 0.00 0.00 55.73 55.93 1fup s ARG 186 Cb -0.11 -0.36 -0.00 0.00 0.52 0.00 0.00 34.95 35.00 1fup s ARG 186 CO 0.52 -0.16 -0.09 0.95 0.02 0.00 0.00 175.30 176.53 1fup s THR 187 N 1.10 0.77 -1.55 0.02 -4.23 -0.61 -4.69 115.64 106.46 1fup s THR 187 Ca -0.09 -0.37 0.00 0.00 -1.18 0.00 0.00 61.69 60.05 1fup s THR 187 Cb -0.13 -0.67 0.00 0.00 1.34 0.00 0.00 72.50 73.03 1fup s THR 187 CO -0.02 0.23 0.00 1.41 -0.54 0.00 0.00 174.62 175.70 1fup n HIS 188 N 3.14 0.00 -0.96 3.99 8.25 -1.26 -0.58 115.22 127.80 1fup n HIS 188 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 1fup n HIS 188 Cb 0.55 -2.92 0.00 0.00 1.12 0.00 0.00 29.99 28.74 1fup n HIS 188 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1fup n LEU 189 N -1.66 0.11 -4.91 2.41 4.32 -1.26 -5.01 117.00 111.00 1fup n LEU 189 Ca -0.15 0.00 -0.27 0.00 -0.02 0.00 0.00 56.01 55.57 1fup n LEU 189 Cb 0.59 -0.37 -0.04 0.00 -1.62 0.00 0.00 43.42 41.99 1fup n LEU 189 CO 0.22 -0.08 -0.13 -1.10 -1.22 0.00 0.00 177.39 175.08 1fup s GLN 190 N -0.15 3.34 0.20 3.23 -1.52 0.26 -5.04 119.66 119.98 1fup s GLN 190 Ca 0.00 -0.61 -0.32 0.00 -1.95 0.00 0.00 55.36 52.48 1fup s GLN 190 Cb 0.00 -2.92 -0.11 0.00 -0.22 0.00 0.00 33.01 29.75 1fup s GLN 190 CO 0.00 0.54 1.68 -0.51 -0.25 0.00 0.00 175.29 176.74 1fup s ASP 191 N -3.03 6.43 0.00 5.90 1.01 -1.26 -1.57 116.67 124.16 1fup s ASP 191 Ca 0.34 2.81 0.00 0.00 0.71 0.00 0.00 52.55 56.41 1fup s ASP 191 Cb -0.11 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.22 1fup s ASP 191 CO 0.27 -0.93 0.00 0.00 0.21 0.00 0.00 175.17 174.72 1fup n ALA 192 N 3.89 0.00 -1.47 5.23 0.00 0.18 -4.84 120.51 123.50 1fup n ALA 192 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.27 1fup n ALA 192 Cb 0.36 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.87 1fup n ALA 192 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1fup s THR 193 N -0.60 3.38 0.65 0.00 -4.23 -1.26 -3.98 115.64 109.59 1fup s THR 193 Ca 0.00 0.58 -0.13 0.00 -1.18 0.00 0.00 61.69 60.95 1fup s THR 193 Cb 0.00 -3.10 -0.01 0.00 1.34 0.00 0.00 72.50 70.73 1fup s THR 193 CO 0.00 -0.46 1.06 -2.16 -0.54 0.00 0.00 174.62 172.53 1fup s PRO 194 N -4.35 3.06 0.17 3.99 0.04 -1.26 -1.90 135.00 134.74 1fup s PRO 194 Ca 0.65 1.12 -0.15 0.00 0.04 0.00 0.00 61.00 62.65 1fup s PRO 194 Cb -0.19 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.38 1fup s PRO 194 CO 0.45 -1.01 0.44 -0.48 0.04 0.00 0.00 177.00 176.44 1fup s LEU 195 N -5.01 0.35 0.31 -3.56 2.34 -0.72 -4.81 118.68 107.58 1fup s LEU 195 Ca 0.62 -0.50 -0.11 0.00 0.06 0.00 0.00 54.13 54.20 1fup s LEU 195 Cb -0.16 1.87 -0.07 0.00 -0.56 0.00 0.00 46.19 47.27 1fup s LEU 195 CO 0.45 -0.96 0.66 0.42 -1.06 0.00 0.00 176.35 175.87 1fup s THR 196 N -3.87 4.84 0.41 5.48 -4.23 -1.26 -0.91 115.64 116.10 1fup s THR 196 Ca 0.08 0.57 0.08 0.00 -1.18 0.00 0.00 61.69 61.25 1fup s THR 196 Cb 0.01 -3.66 0.28 0.00 1.34 0.00 0.00 72.50 70.46 1fup s THR 196 CO -0.05 -0.26 2.04 0.25 -0.54 0.00 0.00 174.62 176.05 1fup h LEU 197 N 1.99 0.46 -0.93 4.79 5.85 -0.79 -0.21 115.31 126.47 1fup h LEU 197 Ca -0.47 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 1fup h LEU 197 Cb 1.18 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.06 1fup h LEU 197 CO 0.66 0.32 0.54 1.23 -0.34 0.00 0.00 178.44 180.85 1fup h GLY 198 N 0.54 1.37 0.93 3.75 0.00 -1.65 -0.51 103.07 107.50 1fup h GLY 198 Ca 0.19 -0.60 -0.06 0.00 0.00 0.00 0.00 47.33 46.86 1fup h GLY 198 CO -0.05 0.57 -0.01 1.46 0.00 0.00 0.00 176.54 178.51 1fup h GLN 199 N 1.30 0.67 -0.43 4.80 4.20 -1.36 -0.04 115.11 124.25 1fup h GLN 199 Ca 0.33 -0.22 0.02 0.00 0.06 0.00 0.00 58.65 58.84 1fup h GLN 199 Cb -0.02 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 1fup h GLN 199 CO -0.06 0.78 0.26 1.49 -0.67 0.00 0.00 178.83 180.63 1fup h GLU 200 N 0.48 0.51 -0.21 1.46 4.81 -0.87 -2.17 114.58 118.59 1fup h GLU 200 Ca 0.10 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.21 1fup h GLU 200 Cb 0.49 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1fup h GLU 200 CO 0.02 0.33 -0.26 0.82 -0.73 0.00 0.00 179.01 179.19 1fup h ILE 201 N 0.52 1.26 0.00 2.32 2.04 -0.94 -2.01 117.51 120.70 1fup h ILE 201 Ca 0.17 -1.24 -0.01 0.00 1.00 0.00 0.00 64.86 64.77 1fup h ILE 201 Cb -0.01 1.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1fup h ILE 201 CO -0.07 0.39 -0.07 0.77 0.00 0.00 0.00 178.15 179.17 1fup h SER 202 N 0.35 0.00 -0.48 1.72 4.64 -0.38 -0.67 113.55 118.73 1fup h SER 202 Ca 0.05 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.25 1fup h SER 202 Cb 0.65 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 1fup h SER 202 CO 0.05 0.07 -0.18 1.23 -0.87 0.00 0.00 176.83 177.12 1fup h GLY 203 N 0.77 1.07 1.03 -0.77 0.00 -0.93 -1.65 103.07 102.58 1fup h GLY 203 Ca -0.00 -0.91 -0.06 0.00 0.00 0.00 0.00 47.33 46.35 1fup h GLY 203 CO 0.01 0.83 0.14 1.49 0.00 0.00 0.00 176.54 179.01 1fup h TRP 204 N 0.86 1.07 -0.04 5.60 6.55 -1.15 -2.36 115.95 126.48 1fup h TRP 204 Ca 0.12 -0.13 -0.00 0.00 0.95 0.00 0.00 58.89 59.83 1fup h TRP 204 Cb 0.75 -0.30 -0.00 0.00 -0.86 0.00 0.00 29.16 28.75 1fup h TRP 204 CO 0.05 0.90 0.02 0.28 -1.05 0.00 0.00 178.44 178.64 1fup h VAL 205 N 0.93 1.04 -0.49 1.49 2.07 -1.22 -2.11 116.25 117.97 1fup h VAL 205 Ca 0.20 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 1fup h VAL 205 Cb 0.38 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1fup h VAL 205 CO 0.00 0.03 0.25 0.00 0.02 0.00 0.00 177.57 177.88 1fup h ALA 206 N 0.98 1.53 -0.28 1.67 0.00 -1.21 0.03 119.26 121.98 1fup h ALA 206 Ca 0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1fup h ALA 206 Cb 0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1fup h ALA 206 CO -0.00 0.39 0.16 0.52 0.00 0.00 0.00 179.25 180.31 1fup h MET 207 N 0.68 0.38 -0.48 0.00 2.07 -1.07 -0.57 114.93 115.94 1fup h MET 207 Ca 0.17 -0.04 -0.12 0.00 -2.07 0.00 0.00 59.70 57.65 1fup h MET 207 Cb 0.04 -0.08 -0.02 0.00 -1.87 0.00 0.00 31.60 29.68 1fup h MET 207 CO -0.03 0.32 -0.16 -0.07 1.07 0.00 0.00 176.91 178.04 1fup h LEU 208 N 0.34 0.95 -0.60 1.22 3.38 -0.73 -1.77 115.31 118.11 1fup h LEU 208 Ca 0.10 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1fup h LEU 208 Cb 0.04 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1fup h LEU 208 CO -0.02 1.10 0.29 -0.33 0.09 0.00 0.00 178.44 179.57 1fup h GLU 209 N 0.83 0.86 -0.54 1.13 5.08 -0.81 -1.69 114.58 119.43 1fup h GLU 209 Ca 0.12 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1fup h GLU 209 Cb 0.72 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1fup h GLU 209 CO 0.05 0.69 0.18 0.45 -1.00 0.00 0.00 179.01 179.39 1fup h HIS 210 N 0.81 0.85 -0.88 4.33 3.86 -0.95 -2.84 115.15 120.32 1fup h HIS 210 Ca 0.20 -0.08 0.02 0.00 -1.16 0.00 0.00 60.37 59.35 1fup h HIS 210 Cb 0.11 -0.25 -0.05 0.00 1.06 0.00 0.00 27.41 28.29 1fup h HIS 210 CO -0.00 0.71 0.58 -0.91 0.86 0.00 0.00 177.93 179.18 1fup h ASN 211 N 0.74 1.00 -0.00 2.45 2.35 -1.07 -2.40 115.58 118.64 1fup h ASN 211 Ca 0.18 -0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.92 1fup h ASN 211 Cb 0.25 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 1fup h ASN 211 CO -0.01 0.71 -0.08 0.25 -1.65 0.00 0.00 177.43 176.65 1fup h LEU 212 N 1.17 -0.22 -1.21 1.61 5.85 -1.07 -0.43 115.31 121.00 1fup h LEU 212 Ca 0.33 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.07 1fup h LEU 212 Cb -0.09 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1fup h LEU 212 CO -0.08 -0.11 0.33 0.07 -0.34 0.00 0.00 178.44 178.31 1fup h LYS 213 N -0.13 0.88 -0.52 1.25 2.10 -1.41 -0.65 116.57 118.08 1fup h LYS 213 Ca 0.03 -0.10 -0.03 0.00 -2.00 0.00 0.00 60.65 58.56 1fup h LYS 213 Cb 0.17 -0.17 -0.02 0.00 -0.90 0.00 0.00 32.23 31.31 1fup h LYS 213 CO -0.08 0.66 0.22 0.45 -2.00 0.00 0.00 179.45 178.69 1fup h HIS 214 N 0.88 0.77 -0.57 0.07 3.86 -0.92 -1.29 115.15 117.95 1fup h HIS 214 Ca 0.22 -0.05 -0.08 0.00 -1.16 0.00 0.00 60.37 59.30 1fup h HIS 214 Cb 0.04 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.26 1fup h HIS 214 CO 0.01 0.63 0.04 0.82 0.86 0.00 0.00 177.93 180.28 1fup h ILE 215 N 0.69 1.26 -0.11 2.45 2.04 -0.60 -2.71 117.51 120.52 1fup h ILE 215 Ca 0.17 -1.05 -0.07 0.00 1.00 0.00 0.00 64.86 64.91 1fup h ILE 215 Cb 0.17 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1fup h ILE 215 CO -0.02 0.38 -0.24 -0.33 0.00 0.00 0.00 178.15 177.94 1fup h GLU 216 N 0.89 0.20 0.00 2.37 5.08 -0.78 -2.22 114.58 120.13 1fup h GLU 216 Ca 0.17 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1fup h GLU 216 Cb 0.47 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1fup h GLU 216 CO 0.02 0.44 -0.10 1.88 -1.00 0.00 0.00 179.01 180.25 1fup h TYR 217 N 0.18 0.00 0.00 4.33 0.05 -0.91 -2.82 116.97 117.80 1fup h TYR 217 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1fup h TYR 217 Cb 0.53 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.27 1fup h TYR 217 CO 0.01 0.10 -0.51 0.66 -1.05 0.00 0.00 178.16 177.37 1fup h SER 218 N 0.00 0.00 -0.23 3.88 4.64 -1.37 -3.40 113.55 117.07 1fup h SER 218 Ca -0.00 -0.06 0.02 0.00 -0.47 0.00 0.00 61.79 61.28 1fup h SER 218 Cb 0.39 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 1fup h SER 218 CO 0.01 0.03 0.08 -0.07 -0.87 0.00 0.00 176.83 176.01 1fup h LEU 219 N 0.00 0.08 -0.78 5.97 3.38 -1.50 -3.16 115.31 119.30 1fup h LEU 219 Ca 0.00 0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.16 1fup h LEU 219 Cb 0.89 0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.55 1fup h LEU 219 CO 0.00 0.08 0.27 -0.65 0.09 0.00 0.00 178.44 178.23 1fup h PRO 220 N 0.18 0.35 -0.50 1.13 0.11 -1.77 -0.22 132.00 131.28 1fup h PRO 220 Ca 0.10 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.07 1fup h PRO 220 Cb 0.07 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.08 1fup h PRO 220 CO -0.11 0.23 -0.14 1.25 -0.21 0.00 0.00 178.00 179.03 1fup h HIS 221 N 0.36 1.08 0.00 0.65 2.76 -1.85 -2.79 115.15 115.37 1fup h HIS 221 Ca 0.45 -0.23 -0.06 0.00 -2.20 0.00 0.00 60.37 58.34 1fup h HIS 221 Cb 0.76 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 1fup h HIS 221 CO -0.20 1.02 -0.26 0.28 -1.30 0.00 0.00 177.93 177.47 1fup h VAL 222 N 0.85 0.84 0.00 5.26 2.07 -1.19 -2.75 116.25 121.34 1fup h VAL 222 Ca 0.13 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1fup h VAL 222 Cb 0.69 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1fup h VAL 222 CO 0.05 0.26 0.00 0.00 0.02 0.00 0.00 177.57 177.90 1fup n ALA 223 N -2.33 1.82 -2.69 1.67 0.00 -0.22 -4.73 120.51 114.03 1fup n ALA 223 Ca -0.01 -0.06 -0.42 0.00 0.00 0.00 0.00 53.44 52.95 1fup n ALA 223 Cb 0.37 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 1fup n ALA 223 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1fup s GLU 224 N -2.96 4.44 -0.07 0.00 2.02 -1.04 -1.08 118.70 120.01 1fup s GLU 224 Ca 0.09 1.29 -0.03 0.00 0.02 0.00 0.00 54.97 56.34 1fup s GLU 224 Cb 0.12 -3.51 -0.04 0.00 0.10 0.00 0.00 34.13 30.79 1fup s GLU 224 CO 0.32 -0.20 0.06 -0.51 0.02 0.00 0.00 175.26 174.94 1fup s LEU 225 N 1.63 3.88 0.28 1.80 1.43 0.87 -4.70 118.68 123.86 1fup s LEU 225 Ca 0.47 0.23 0.15 0.00 -1.03 0.00 0.00 54.13 53.95 1fup s LEU 225 Cb -0.19 -2.00 0.14 0.00 0.03 0.00 0.00 46.19 44.18 1fup s LEU 225 CO 0.20 0.36 1.48 0.00 0.23 0.00 0.00 176.35 178.62 1fup h ALA 226 N 4.84 0.69 -1.18 4.21 0.00 -1.88 0.36 119.26 126.30 1fup h ALA 226 Ca -0.52 -0.49 -0.83 0.00 0.00 0.00 0.00 54.91 53.08 1fup h ALA 226 Cb 1.20 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.91 1fup h ALA 226 CO 0.57 0.67 0.79 1.28 0.00 0.00 0.00 179.25 182.56 1fup n LEU 227 N -3.29 1.64 0.00 0.00 4.77 -1.24 -0.88 117.00 118.00 1fup n LEU 227 Ca 0.01 1.13 0.00 0.00 -0.03 0.00 0.00 56.01 57.13 1fup n LEU 227 Cb 0.72 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1fup n LEU 227 CO 0.41 -0.69 0.00 0.61 -1.33 0.00 0.00 177.39 176.39 1fup n GLY 228 N 4.17 1.86 0.19 -0.72 0.00 -1.26 -4.52 105.19 104.91 1fup n GLY 228 Ca 0.30 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.35 1fup n GLY 228 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1fup h GLY 229 N 0.00 0.00 0.00 -0.02 0.00 -1.28 -3.34 103.07 98.43 1fup h GLY 229 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1fup h GLY 229 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 176.54 178.95 1fup n THR 230 N -4.07 0.00 -0.11 4.70 -1.04 -1.26 -1.08 114.28 111.43 1fup n THR 230 Ca -0.02 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.94 1fup n THR 230 Cb 0.41 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.94 1fup n THR 230 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1fup h ALA 231 N -0.65 0.32 0.00 2.41 0.00 -1.93 -3.32 119.26 116.09 1fup h ALA 231 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1fup h ALA 231 Cb 0.00 0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1fup h ALA 231 CO 0.00 -0.41 0.00 1.33 0.00 0.00 0.00 179.25 180.17 1fup n VAL 232 N -5.21 0.22 0.00 0.00 0.24 -1.26 -4.89 118.33 107.43 1fup n VAL 232 Ca 0.02 -0.53 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 1fup n VAL 232 Cb 0.20 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.57 1fup n VAL 232 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1fup n GLY 233 N -0.11 1.71 0.20 7.63 0.00 -0.24 -4.75 105.19 109.62 1fup n GLY 233 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1fup n GLY 233 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1fup h THR 234 N 0.00 0.84 0.00 2.61 1.35 -1.86 -3.43 112.91 112.41 1fup h THR 234 Ca 0.00 -1.42 0.00 0.00 -0.55 0.00 0.00 66.41 64.44 1fup h THR 234 Cb 0.00 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 1fup h THR 234 CO 0.00 0.34 0.00 0.61 -0.25 0.00 0.00 175.52 176.22 1fup n GLY 235 N 0.16 0.53 3.77 5.82 0.00 -0.56 -5.01 105.19 109.90 1fup n GLY 235 Ca -0.00 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 1fup n GLY 235 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1fup n LEU 236 N 0.00 4.63 -1.58 0.99 7.94 -1.26 -2.89 117.00 124.83 1fup n LEU 236 Ca 0.00 1.23 -0.09 0.00 -1.11 0.00 0.00 56.01 56.03 1fup n LEU 236 Cb 0.00 -1.60 0.03 0.00 0.53 0.00 0.00 43.42 42.37 1fup n LEU 236 CO 0.00 0.08 0.06 0.59 -1.11 0.00 0.00 177.39 177.01 1fup n ASN 237 N 0.49 -3.59 -3.85 1.96 3.02 -1.26 -4.80 115.26 107.23 1fup n ASN 237 Ca 0.02 -0.18 -0.11 0.00 -0.03 0.00 0.00 54.58 54.28 1fup n ASN 237 Cb 0.38 -2.28 -0.09 0.00 -0.61 0.00 0.00 39.78 37.18 1fup n ASN 237 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1fup s THR 238 N -3.00 0.09 0.17 3.41 -4.23 -1.14 -4.77 115.64 106.18 1fup s THR 238 Ca 0.19 -0.78 -0.30 0.00 -1.18 0.00 0.00 61.69 59.62 1fup s THR 238 Cb -0.08 -0.70 -0.07 0.00 1.34 0.00 0.00 72.50 72.98 1fup s THR 238 CO 0.24 -0.43 1.10 -2.28 -0.54 0.00 0.00 174.62 172.71 1fup s HIS 239 N -1.97 3.59 0.50 3.99 2.46 -1.26 -4.93 115.29 117.67 1fup s HIS 239 Ca -0.10 1.60 0.31 0.00 0.47 0.00 0.00 55.06 57.34 1fup s HIS 239 Cb -0.04 -3.27 1.42 0.00 -0.13 0.00 0.00 32.58 30.56 1fup s HIS 239 CO -0.01 -0.60 1.80 -1.00 -2.47 0.00 0.00 174.74 172.46 1fup h PRO 240 N 5.16 0.11 -0.00 2.88 0.13 -2.01 0.10 132.00 138.37 1fup h PRO 240 Ca -0.44 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1fup h PRO 240 Cb 1.21 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1fup h PRO 240 CO 0.73 0.07 -0.38 0.39 -0.23 0.00 0.00 178.00 178.58 1fup n GLU 241 N -4.32 0.34 0.06 0.86 1.02 -1.26 -4.48 120.64 112.86 1fup n GLU 241 Ca 0.25 -0.20 -0.13 0.00 -0.02 0.00 0.00 57.16 57.06 1fup n GLU 241 Cb 1.12 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.98 1fup n GLU 241 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 1fup h TYR 242 N 0.48 -1.20 -0.39 -0.32 3.20 -1.17 -1.62 116.97 115.95 1fup h TYR 242 Ca 0.00 0.04 0.07 0.00 3.14 0.00 0.00 58.73 61.98 1fup h TYR 242 Cb 0.50 0.53 -0.07 0.00 1.54 0.00 0.00 36.73 39.23 1fup h TYR 242 CO 0.00 -0.50 -0.04 0.00 -1.64 0.00 0.00 178.16 175.98 1fup h ALA 243 N -0.05 0.32 -0.22 1.82 0.00 -1.78 0.01 119.26 119.35 1fup h ALA 243 Ca 0.05 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1fup h ALA 243 Cb 0.65 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1fup h ALA 243 CO -0.32 -0.42 -0.02 -0.09 0.00 0.00 0.00 179.25 178.41 1fup h ARG 244 N 0.06 0.40 -0.10 0.00 2.43 -1.83 -2.71 114.38 112.64 1fup h ARG 244 Ca 0.19 -0.14 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1fup h ARG 244 Cb 0.28 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1fup h ARG 244 CO -0.35 0.61 0.04 0.00 -1.51 0.00 0.00 179.97 178.75 1fup h ARG 245 N 0.16 0.09 -0.37 0.20 3.08 -1.01 -1.36 114.38 115.16 1fup h ARG 245 Ca 0.06 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1fup h ARG 245 Cb 0.43 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1fup h ARG 245 CO 0.01 0.06 0.13 -0.24 -1.07 0.00 0.00 179.97 178.86 1fup h VAL 246 N 0.09 1.15 -0.57 2.04 3.04 -1.04 0.23 116.25 121.20 1fup h VAL 246 Ca 0.04 -0.51 -0.06 0.00 -1.01 0.00 0.00 66.70 65.16 1fup h VAL 246 Cb 0.02 0.74 -0.02 0.00 -2.01 0.00 0.00 31.29 30.01 1fup h VAL 246 CO -0.04 0.19 0.13 0.00 -1.01 0.00 0.00 177.57 176.84 1fup h ALA 247 N 1.62 0.75 0.04 3.17 0.00 -1.12 -1.17 119.26 122.54 1fup h ALA 247 Ca 0.13 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1fup h ALA 247 Cb 0.14 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1fup h ALA 247 CO -0.01 0.47 -0.02 -0.44 0.00 0.00 0.00 179.25 179.25 1fup h ASP 248 N 0.82 -0.04 -0.41 0.00 3.32 -0.18 -1.07 116.42 118.86 1fup h ASP 248 Ca 0.18 -0.11 0.07 0.00 0.02 0.00 0.00 57.03 57.19 1fup h ASP 248 Cb 0.36 0.01 -0.06 0.00 0.22 0.00 0.00 39.33 39.86 1fup h ASP 248 CO 0.00 0.09 0.02 -0.08 -1.72 0.00 0.00 179.24 177.55 1fup h GLU 249 N -0.17 0.13 -0.77 3.56 4.57 -0.80 0.89 114.58 121.99 1fup h GLU 249 Ca -0.01 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 1fup h GLU 249 Cb 0.16 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.68 1fup h GLU 249 CO 0.01 0.08 0.38 1.25 -1.18 0.00 0.00 179.01 179.55 1fup h LEU 250 N 0.13 0.98 -0.37 1.64 5.85 -1.11 -1.30 115.31 121.13 1fup h LEU 250 Ca 0.20 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1fup h LEU 250 Cb 0.28 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1fup h LEU 250 CO -0.32 0.82 0.11 0.00 -0.34 0.00 0.00 178.44 178.71 1fup h ALA 251 N 1.33 0.49 0.28 1.25 0.00 0.00 -2.47 119.26 120.13 1fup h ALA 251 Ca 0.27 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1fup h ALA 251 Cb 0.09 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1fup h ALA 251 CO -0.04 0.14 -0.15 0.28 0.00 0.00 0.00 179.25 179.48 1fup h VAL 252 N 0.45 0.68 0.00 0.00 2.07 -0.26 0.13 116.25 119.32 1fup h VAL 252 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1fup h VAL 252 Cb 0.28 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1fup h VAL 252 CO -0.00 0.00 0.00 2.30 0.02 0.00 0.00 177.57 179.89 1fup n ILE 253 N -5.27 0.39 0.15 4.57 -5.35 -0.55 -3.41 119.36 109.89 1fup n ILE 253 Ca -0.09 0.08 0.03 0.00 -0.27 0.00 0.00 62.75 62.50 1fup n ILE 253 Cb 0.19 -0.69 -0.04 0.00 -1.74 0.00 0.00 39.64 37.35 1fup n ILE 253 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1fup n THR 254 N -1.54 0.00 -2.40 7.28 -2.24 -0.93 -5.01 114.28 109.44 1fup n THR 254 Ca 0.06 -0.26 -0.16 0.00 -2.27 0.00 0.00 64.05 61.42 1fup n THR 254 Cb 0.28 0.70 -0.00 0.00 -2.10 0.00 0.00 70.33 69.21 1fup n THR 254 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fup s ALA 256 N -2.84 2.19 -0.97 0.00 0.00 -1.18 -5.04 121.76 113.91 1fup s ALA 256 Ca 0.04 -1.24 -0.06 0.00 0.00 0.00 0.00 51.96 50.70 1fup s ALA 256 Cb -0.02 -0.46 -0.07 0.00 0.00 0.00 0.00 23.12 22.57 1fup s ALA 256 CO 0.05 0.52 2.34 -0.35 0.00 0.00 0.00 175.76 178.32 1fup n PRO 257 N 1.82 2.34 -2.34 0.00 -0.04 -1.26 -4.36 135.00 131.16 1fup n PRO 257 Ca -0.17 -1.53 -0.38 0.00 -0.04 0.00 0.00 63.50 61.38 1fup n PRO 257 Cb 0.52 -2.46 -0.02 0.00 -0.04 0.00 0.00 33.50 31.50 1fup n PRO 257 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1fup s PHE 258 N 2.97 3.11 0.07 0.54 0.08 -1.26 -4.89 117.98 118.59 1fup s PHE 258 Ca 0.46 1.57 0.01 0.00 0.12 0.00 0.00 56.93 59.09 1fup s PHE 258 Cb 0.13 -3.35 -0.04 0.00 -0.57 0.00 0.00 43.02 39.19 1fup s PHE 258 CO -0.04 -1.19 -0.05 0.14 -0.10 0.00 0.00 175.22 173.99 1fup s VAL 259 N -1.45 0.46 0.12 -0.44 -7.23 -0.24 -4.72 120.40 106.89 1fup s VAL 259 Ca 0.57 -1.78 -0.30 0.00 -1.81 0.00 0.00 61.98 58.66 1fup s VAL 259 Cb -0.29 -1.48 -0.06 0.00 0.56 0.00 0.00 36.38 35.11 1fup s VAL 259 CO 0.37 -0.88 0.98 0.28 -0.31 0.00 0.00 175.10 175.54 1fup s THR 260 N -3.50 4.40 0.15 5.32 -1.32 -1.26 -0.09 115.64 119.33 1fup s THR 260 Ca 0.07 2.00 -0.33 0.00 -1.21 0.00 0.00 61.69 62.23 1fup s THR 260 Cb 0.05 -4.28 -0.13 0.00 -1.51 0.00 0.00 72.50 66.63 1fup s THR 260 CO -0.06 0.31 1.70 0.00 -2.21 0.00 0.00 174.62 174.36 1fup n ALA 261 N 2.73 1.94 -0.21 11.08 0.00 0.11 -4.65 120.51 131.51 1fup n ALA 261 Ca 0.02 0.39 0.02 0.00 0.00 0.00 0.00 53.44 53.87 1fup n ALA 261 Cb 0.49 -2.46 0.26 0.00 0.00 0.00 0.00 19.45 17.73 1fup n ALA 261 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1fup h PRO 262 N 6.97 0.95 -4.42 0.00 0.11 -1.93 -3.37 132.00 130.31 1fup h PRO 262 Ca -0.45 -0.06 -0.62 0.00 0.11 0.00 0.00 66.00 64.99 1fup h PRO 262 Cb 1.23 -0.21 -0.38 0.00 0.11 0.00 0.00 31.00 31.75 1fup h PRO 262 CO 0.93 0.63 -0.79 1.21 -0.21 0.00 0.00 178.00 179.76 1fup s ASN 263 N -6.33 3.87 0.45 -2.05 3.84 -1.26 -4.99 114.94 108.47 1fup s ASN 263 Ca -0.11 -1.17 0.25 0.00 0.21 0.00 0.00 52.86 52.03 1fup s ASN 263 Cb 0.18 -1.22 0.90 0.00 -0.55 0.00 0.00 41.25 40.56 1fup s ASN 263 CO 0.78 -0.22 1.81 0.11 -2.79 0.00 0.00 177.10 176.79 1fup h LYS 264 N 7.94 0.00 -0.34 0.43 1.79 -1.84 -2.41 116.57 122.14 1fup h LYS 264 Ca -0.19 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.16 1fup h LYS 264 Cb 1.07 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.71 1fup h LYS 264 CO 0.42 0.20 -0.25 0.74 -1.08 0.00 0.00 179.45 179.48 1fup h PHE 265 N 0.00 0.90 -0.39 -1.35 0.04 -1.85 0.30 116.94 114.59 1fup h PHE 265 Ca -0.00 -0.25 -0.12 0.00 2.80 0.00 0.00 57.97 60.40 1fup h PHE 265 Cb 0.77 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.71 1fup h PHE 265 CO 0.00 1.00 -0.23 1.49 -0.60 0.00 0.00 178.31 179.97 1fup h GLU 266 N 0.54 0.79 -0.45 1.51 4.22 -1.95 0.77 114.58 120.01 1fup h GLU 266 Ca 0.06 -0.32 -0.08 0.00 0.08 0.00 0.00 59.36 59.10 1fup h GLU 266 Cb 0.81 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1fup h GLU 266 CO 0.07 0.94 -0.06 0.00 -2.18 0.00 0.00 179.01 177.78 1fup h ALA 267 N 1.05 1.06 0.15 2.92 0.00 -1.15 -2.74 119.26 120.55 1fup h ALA 267 Ca 0.09 -0.29 -0.30 0.00 0.00 0.00 0.00 54.91 54.41 1fup h ALA 267 Cb 0.75 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1fup h ALA 267 CO 0.06 0.58 -1.51 -0.07 0.00 0.00 0.00 179.25 178.31 1fup h LEU 268 N 0.71 0.49 0.00 0.00 4.07 -0.73 -3.38 115.31 116.48 1fup h LEU 268 Ca 0.13 -0.90 0.00 0.00 0.08 0.00 0.00 57.88 57.19 1fup h LEU 268 Cb 0.52 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.10 1fup h LEU 268 CO 0.03 1.68 0.00 0.00 -1.08 0.00 0.00 178.44 179.07 1fup n ALA 269 N -2.90 2.26 -2.23 1.53 0.00 0.25 -2.34 120.51 117.06 1fup n ALA 269 Ca -0.24 -0.10 -0.12 0.00 0.00 0.00 0.00 53.44 52.98 1fup n ALA 269 Cb 0.97 -1.44 -0.10 0.00 0.00 0.00 0.00 19.45 18.89 1fup n ALA 269 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1fup s THR 270 N -2.90 0.00 -0.15 0.00 -4.23 -1.03 -3.80 115.64 103.53 1fup s THR 270 Ca 0.16 -1.98 0.14 0.00 -1.18 0.00 0.00 61.69 58.83 1fup s THR 270 Cb 0.18 -2.49 0.35 0.00 1.34 0.00 0.00 72.50 71.88 1fup s THR 270 CO 0.47 0.00 1.18 0.00 -0.54 0.00 0.00 174.62 175.73 1fup h ASP 272 N 0.64 0.52 -0.88 0.00 3.32 -1.89 -1.29 116.42 116.84 1fup h ASP 272 Ca -0.03 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1fup h ASP 272 Cb 1.14 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.68 1fup h ASP 272 CO 0.01 0.15 0.57 0.00 -1.72 0.00 0.00 179.24 178.25 1fup h ALA 273 N 1.64 1.34 0.06 3.45 0.00 -1.90 -1.17 119.26 122.67 1fup h ALA 273 Ca 0.53 -0.07 -0.25 0.00 0.00 0.00 0.00 54.91 55.12 1fup h ALA 273 Cb 0.88 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 18.32 1fup h ALA 273 CO -0.43 0.60 -1.08 -0.07 0.00 0.00 0.00 179.25 178.27 1fup h LEU 274 N 1.21 0.58 -0.72 0.00 3.38 -1.67 0.04 115.31 118.13 1fup h LEU 274 Ca 0.32 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1fup h LEU 274 Cb -0.11 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 1fup h LEU 274 CO -0.07 1.34 0.40 0.58 0.09 0.00 0.00 178.44 180.78 1fup h VAL 275 N 0.21 1.22 -0.01 1.22 2.07 -1.01 0.76 116.25 120.70 1fup h VAL 275 Ca -0.12 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1fup h VAL 275 Cb 1.74 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1fup h VAL 275 CO 0.19 0.24 -0.02 1.56 0.02 0.00 0.00 177.57 179.56 1fup h GLN 276 N 1.00 0.04 -0.86 1.57 1.08 -1.18 -2.80 115.11 113.95 1fup h GLN 276 Ca 0.25 -0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.46 1fup h GLN 276 Cb 0.04 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.42 1fup h GLN 276 CO -0.04 0.56 0.57 0.00 -0.95 0.00 0.00 178.83 178.96 1fup h ALA 277 N 0.48 1.44 0.00 3.87 0.00 -0.88 -0.14 119.26 124.03 1fup h ALA 277 Ca 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1fup h ALA 277 Cb 0.55 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1fup h ALA 277 CO 0.00 0.49 -0.18 1.25 0.00 0.00 0.00 179.25 180.82 1fup h HIS 278 N 1.10 0.00 -0.50 0.00 -0.00 -0.84 -2.18 115.15 112.73 1fup h HIS 278 Ca 0.33 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.66 1fup h HIS 278 Cb -0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.36 1fup h HIS 278 CO -0.00 0.18 0.13 0.78 -0.00 0.00 0.00 177.93 179.01 1fup h GLY 279 N 1.56 0.81 1.70 5.26 0.00 -0.74 -0.94 103.07 110.73 1fup h GLY 279 Ca -0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 47.33 46.76 1fup h GLY 279 CO 0.02 0.42 -0.43 0.00 0.00 0.00 0.00 176.54 176.56 1fup h ALA 280 N 1.41 1.01 -0.32 3.60 0.00 -1.33 -2.45 119.26 121.17 1fup h ALA 280 Ca 0.16 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 1fup h ALA 280 Cb 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1fup h ALA 280 CO -0.00 0.62 -0.19 -0.07 0.00 0.00 0.00 179.25 179.61 1fup h LEU 281 N 0.27 0.73 -1.47 0.00 3.38 -1.17 -0.50 115.31 116.56 1fup h LEU 281 Ca 0.02 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.52 1fup h LEU 281 Cb 0.87 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1fup h LEU 281 CO 0.07 0.99 -0.22 0.07 0.09 0.00 0.00 178.44 179.45 1fup h LYS 282 N 0.47 0.00 -0.27 1.13 5.09 -1.16 0.35 116.57 122.18 1fup h LYS 282 Ca 0.07 0.00 -0.04 0.00 0.09 0.00 0.00 60.65 60.77 1fup h LYS 282 Cb 0.74 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.06 1fup h LYS 282 CO 0.05 0.22 0.01 0.78 -2.09 0.00 0.00 179.45 178.42 1fup h GLY 283 N 1.39 0.51 1.33 0.07 0.00 -0.94 -1.89 103.07 103.54 1fup h GLY 283 Ca -0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 1fup h GLY 283 CO 0.03 0.34 0.21 -2.00 0.00 0.00 0.00 176.54 175.13 1fup h LEU 284 N 0.27 0.79 -0.81 3.11 5.85 -0.08 -2.56 115.31 121.87 1fup h LEU 284 Ca 0.08 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 1fup h LEU 284 Cb 0.41 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 1fup h LEU 284 CO 0.01 0.72 0.37 0.00 -0.34 0.00 0.00 178.44 179.21 1fup h ALA 285 N 1.39 1.05 -0.42 1.25 0.00 -0.67 -0.89 119.26 120.98 1fup h ALA 285 Ca 0.20 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1fup h ALA 285 Cb 0.20 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1fup h ALA 285 CO -0.01 0.63 -0.15 0.00 0.00 0.00 0.00 179.25 179.72 1fup h ALA 286 N 1.20 0.95 -0.12 0.00 0.00 -0.98 -0.88 119.26 119.44 1fup h ALA 286 Ca 0.28 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1fup h ALA 286 Cb 0.15 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1fup h ALA 286 CO -0.03 0.61 -0.01 0.77 0.00 0.00 0.00 179.25 180.59 1fup h SER 287 N 0.70 0.21 -0.73 0.00 0.02 -1.12 -2.73 113.55 109.90 1fup h SER 287 Ca 0.11 -0.33 -0.02 0.00 -0.84 0.00 0.00 61.79 60.71 1fup h SER 287 Cb 0.64 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.09 1fup h SER 287 CO 0.04 0.49 0.38 -0.07 -1.14 0.00 0.00 176.83 176.53 1fup h LEU 288 N -0.08 0.95 -0.77 5.07 3.38 -1.06 -1.79 115.31 121.01 1fup h LEU 288 Ca 0.03 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.94 1fup h LEU 288 Cb 0.39 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 1fup h LEU 288 CO 0.01 0.79 0.49 -0.03 0.09 0.00 0.00 178.44 179.79 1fup h MET 289 N 1.05 0.93 -0.19 1.13 4.05 -1.11 0.71 114.93 121.51 1fup h MET 289 Ca 0.26 -0.06 -0.04 0.00 -0.28 0.00 0.00 59.70 59.58 1fup h MET 289 Cb 0.08 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 30.66 1fup h MET 289 CO -0.04 0.62 -0.04 -0.22 0.23 0.00 0.00 176.91 177.46 1fup h LYS 290 N 0.96 0.36 -0.39 0.39 3.11 -1.10 -1.33 116.57 118.57 1fup h LYS 290 Ca 0.31 -0.14 0.00 0.00 -2.81 0.00 0.00 60.65 58.01 1fup h LYS 290 Cb 0.01 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.20 1fup h LYS 290 CO -0.11 0.62 0.25 0.82 -2.81 0.00 0.00 179.45 178.22 1fup h ILE 291 N 0.08 1.10 -0.77 2.00 2.04 -1.07 -0.96 117.51 119.94 1fup h ILE 291 Ca 0.05 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 1fup h ILE 291 Cb 0.49 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 1fup h ILE 291 CO 0.02 0.10 0.37 0.00 0.00 0.00 0.00 178.15 178.64 1fup h ALA 292 N 1.14 0.99 -0.49 1.87 0.00 -0.85 -1.95 119.26 119.97 1fup h ALA 292 Ca 0.14 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1fup h ALA 292 Cb -0.05 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1fup h ALA 292 CO -0.03 0.55 0.07 -0.91 0.00 0.00 0.00 179.25 178.93 1fup h ASN 293 N 1.08 0.79 -0.41 0.00 2.35 -0.87 -2.01 115.58 116.52 1fup h ASN 293 Ca 0.26 -0.27 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1fup h ASN 293 Cb 0.12 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 1fup h ASN 293 CO -0.03 0.86 0.23 0.44 -1.65 0.00 0.00 177.43 177.27 1fup h ASP 294 N 0.70 0.36 0.10 5.81 3.32 -0.88 -0.98 116.42 124.85 1fup h ASP 294 Ca 0.15 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1fup h ASP 294 Cb 0.41 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1fup h ASP 294 CO 0.01 0.26 -0.08 0.58 -1.72 0.00 0.00 179.24 178.29 1fup h VAL 295 N 0.46 0.82 -0.01 -1.35 2.07 -1.24 -0.00 116.25 117.00 1fup h VAL 295 Ca 0.17 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.60 1fup h VAL 295 Cb 0.04 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1fup h VAL 295 CO -0.09 0.00 -0.39 0.08 0.02 0.00 0.00 177.57 177.18 1fup h ARG 296 N -0.19 0.02 -0.08 1.57 0.11 -1.16 -1.29 114.38 113.37 1fup h ARG 296 Ca -0.00 -0.01 -0.23 0.00 0.10 0.00 0.00 59.98 59.84 1fup h ARG 296 Cb 0.18 -0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.27 1fup h ARG 296 CO -0.01 0.41 -0.85 -1.49 0.10 0.00 0.00 179.97 178.12 1fup h TRP 297 N 0.02 1.01 0.00 4.08 4.06 -0.99 -2.17 115.95 121.96 1fup h TRP 297 Ca -0.00 -0.49 -0.05 0.00 2.06 0.00 0.00 58.89 60.40 1fup h TRP 297 Cb 0.70 -0.14 -0.01 0.00 -1.00 0.00 0.00 29.16 28.72 1fup h TRP 297 CO 0.00 1.33 -0.24 -0.07 -3.56 0.00 0.00 178.44 175.90 1fup h LEU 298 N 0.41 0.00 -1.34 -4.49 3.38 -0.76 -2.34 115.31 110.17 1fup h LEU 298 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1fup h LEU 298 Cb 1.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.25 1fup h LEU 298 CO 0.17 0.24 -0.05 0.00 0.09 0.00 0.00 178.44 178.89 1fup n ALA 299 N -2.40 2.63 -1.76 1.53 0.00 -0.51 -0.45 120.51 119.56 1fup n ALA 299 Ca -0.02 -0.56 -0.40 0.00 0.00 0.00 0.00 53.44 52.47 1fup n ALA 299 Cb 0.32 -0.99 0.02 0.00 0.00 0.00 0.00 19.45 18.80 1fup n ALA 299 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1fup s SER 300 N -2.07 5.78 0.00 0.00 1.04 -0.82 -4.59 113.70 113.04 1fup s SER 300 Ca 0.31 2.93 0.00 0.00 0.48 0.00 0.00 55.95 59.68 1fup s SER 300 Cb 0.20 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.67 1fup s SER 300 CO 0.35 -1.25 0.00 0.61 0.98 0.00 0.00 173.24 173.94 1fup n GLY 301 N 0.59 -0.30 0.24 7.32 0.00 -1.26 -0.33 105.19 111.46 1fup n GLY 301 Ca 0.06 -0.37 0.14 0.00 0.00 0.00 0.00 46.02 45.84 1fup n GLY 301 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fup h PRO 302 N 0.00 0.00 0.00 1.61 0.13 -1.87 -3.43 132.00 128.44 1fup h PRO 302 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.08 1fup h PRO 302 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1fup h PRO 302 CO 0.00 0.05 -1.50 0.54 -0.23 0.00 0.00 178.00 176.86 1fup n ARG 303 N -3.14 0.91 -0.44 0.86 5.12 -1.26 -4.75 116.66 113.96 1fup n ARG 303 Ca 0.02 -0.07 0.06 0.00 -1.93 0.00 0.00 57.85 55.93 1fup n ARG 303 Cb 0.42 -1.24 0.19 0.00 -1.16 0.00 0.00 32.46 30.68 1fup n ARG 303 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1fup n GLY 305 N -1.12 4.83 0.12 0.00 0.00 -1.26 -4.89 105.19 102.87 1fup n GLY 305 Ca 0.21 -1.22 -0.24 0.00 0.00 0.00 0.00 46.02 44.77 1fup n GLY 305 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1fup n ILE 306 N 0.00 1.55 -3.38 -0.61 5.41 -1.09 -4.91 119.36 116.33 1fup n ILE 306 Ca 0.00 -0.23 -0.24 0.00 1.00 0.00 0.00 62.75 63.27 1fup n ILE 306 Cb 0.00 -1.93 0.01 0.00 -0.71 0.00 0.00 39.64 37.01 1fup n ILE 306 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1fup n GLY 307 N 1.46 -0.50 0.14 7.39 0.00 0.56 -4.88 105.19 109.36 1fup n GLY 307 Ca -0.41 0.12 0.02 0.00 0.00 0.00 0.00 46.02 45.76 1fup n GLY 307 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1fup h GLU 308 N -1.27 0.00 -5.21 1.61 5.08 -1.05 -3.44 114.58 110.30 1fup h GLU 308 Ca -0.48 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 57.44 1fup h GLU 308 Cb 1.32 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.43 1fup h GLU 308 CO 0.57 0.51 -0.63 0.96 -1.00 0.00 0.00 179.01 179.42 1fup s ILE 309 N -3.04 1.18 0.01 3.13 -4.36 -0.95 -0.49 121.20 116.68 1fup s ILE 309 Ca 0.03 -2.03 0.04 0.00 -0.26 0.00 0.00 60.65 58.43 1fup s ILE 309 Cb 0.08 -2.61 -0.01 0.00 1.25 0.00 0.00 42.46 41.17 1fup s ILE 309 CO 0.74 -0.14 -0.12 -0.94 0.24 0.00 0.00 174.94 174.72 1fup s SER 310 N -3.42 1.43 0.24 4.36 1.04 0.10 -4.26 113.70 113.19 1fup s SER 310 Ca 0.33 -0.29 0.09 0.00 0.48 0.00 0.00 55.95 56.57 1fup s SER 310 Cb 0.07 -0.13 -0.05 0.00 0.10 0.00 0.00 66.02 66.01 1fup s SER 310 CO 0.13 0.10 -0.16 0.27 0.98 0.00 0.00 173.24 174.56 1fup s ILE 311 N -0.47 2.02 0.28 -1.02 -4.36 -1.26 -1.60 121.20 114.79 1fup s ILE 311 Ca 0.03 -2.28 -0.29 0.00 -0.26 0.00 0.00 60.65 57.84 1fup s ILE 311 Cb -0.06 -2.16 -0.10 0.00 1.25 0.00 0.00 42.46 41.39 1fup s ILE 311 CO 0.00 -0.51 1.39 -2.16 0.24 0.00 0.00 174.94 173.90 1fup s PRO 312 N -3.60 4.29 -0.47 0.37 0.04 -1.26 -4.98 135.00 129.40 1fup s PRO 312 Ca 0.26 2.28 -0.25 0.00 0.04 0.00 0.00 61.00 63.33 1fup s PRO 312 Cb -0.02 -3.09 0.03 0.00 0.04 0.00 0.00 34.50 31.46 1fup s PRO 312 CO 0.10 -0.34 0.90 -2.00 0.04 0.00 0.00 177.00 175.70 1fup s GLU 313 N -0.97 3.48 -0.10 4.56 2.12 -1.26 -4.90 118.70 121.63 1fup s GLU 313 Ca 0.55 0.05 0.16 0.00 0.36 0.00 0.00 54.97 56.09 1fup s GLU 313 Cb -0.41 -3.95 -0.23 0.00 0.26 0.00 0.00 34.13 29.80 1fup s GLU 313 CO 0.48 -1.24 0.43 0.09 -0.54 0.00 0.00 175.26 174.48 1fup n ASN 314 N 7.12 0.48 -4.86 -1.70 3.02 -1.26 -4.94 115.26 113.12 1fup n ASN 314 Ca 0.05 0.23 -0.32 0.00 -0.03 0.00 0.00 54.58 54.51 1fup n ASN 314 Cb 0.48 0.47 -0.05 0.00 -0.61 0.00 0.00 39.78 40.07 1fup n ASN 314 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1fup s GLU 315 N -2.62 3.26 0.40 3.52 8.01 -1.26 -5.08 118.70 124.93 1fup s GLU 315 Ca -0.07 -0.46 -0.27 0.00 0.01 0.00 0.00 54.97 54.19 1fup s GLU 315 Cb 0.07 -2.96 -0.09 0.00 -4.31 0.00 0.00 34.13 26.84 1fup s GLU 315 CO 0.83 0.63 1.39 -1.25 0.01 0.00 0.00 175.26 176.87 1fup s PRO 316 N -2.15 3.96 0.42 0.39 0.04 -1.26 -5.03 135.00 131.37 1fup s PRO 316 Ca 0.29 2.35 0.05 0.00 0.04 0.00 0.00 61.00 63.73 1fup s PRO 316 Cb -0.13 -2.81 -0.06 0.00 0.04 0.00 0.00 34.50 31.54 1fup s PRO 316 CO 0.21 -0.57 0.01 0.20 0.04 0.00 0.00 177.00 176.90 1fup s GLY 317 N -0.49 2.59 0.29 0.56 0.00 -1.26 -5.12 107.32 103.89 1fup s GLY 317 Ca 0.56 -1.86 -0.29 0.00 0.00 0.00 0.00 44.72 43.13 1fup s GLY 317 CO 0.55 -2.09 1.21 -0.56 0.00 0.00 0.00 173.10 172.21 1fup s SER 318 N -3.73 7.02 0.20 1.64 0.01 -1.26 -4.94 113.70 112.64 1fup s SER 318 Ca 0.29 2.46 -0.08 0.00 1.31 0.00 0.00 55.95 59.93 1fup s SER 318 Cb 0.08 -2.64 0.13 0.00 0.21 0.00 0.00 66.02 63.80 1fup s SER 318 CO 0.15 -0.35 1.69 -1.28 0.41 0.00 0.00 173.24 173.86 1fup h SER 319 N 3.77 1.03 -0.12 2.44 0.87 -2.02 -2.39 113.55 117.13 1fup h SER 319 Ca -0.47 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 59.83 1fup h SER 319 Cb 1.22 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1fup h SER 319 CO 0.67 1.04 0.00 0.00 -0.53 0.00 0.00 176.83 178.01 1fup n ILE 320 N -4.20 0.16 -2.94 2.23 3.06 -1.26 -4.04 119.36 112.37 1fup n ILE 320 Ca 0.04 -0.18 -0.15 0.00 -2.50 0.00 0.00 62.75 59.96 1fup n ILE 320 Cb 0.31 0.05 -0.01 0.00 0.54 0.00 0.00 39.64 40.54 1fup n ILE 320 CO 0.00 0.00 0.00 0.23 -2.50 0.00 0.00 176.55 174.28 1fup n MET 321 N -0.17 1.25 -2.33 9.51 2.81 -0.90 -5.11 117.12 122.18 1fup n MET 321 Ca 0.09 -3.45 -0.40 0.00 -1.81 0.00 0.00 57.70 52.12 1fup n MET 321 Cb 0.14 -1.57 -0.03 0.00 -0.71 0.00 0.00 33.22 31.04 1fup n MET 321 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1fup s PRO 322 N -2.80 4.53 0.00 0.03 0.04 -1.24 -3.47 135.00 132.09 1fup s PRO 322 Ca 0.36 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.36 1fup s PRO 322 Cb 0.39 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.79 1fup s PRO 322 CO -0.04 0.05 0.00 0.41 0.04 0.00 0.00 177.00 177.46 1fup n GLY 323 N 1.05 1.68 3.56 0.56 0.00 -1.26 -5.02 105.19 105.76 1fup n GLY 323 Ca -0.01 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 1fup n GLY 323 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fup s LYS 324 N 0.00 2.87 -0.46 1.61 2.20 -1.23 -4.36 119.74 120.38 1fup s LYS 324 Ca 0.00 -0.48 -0.08 0.00 -0.36 0.00 0.00 55.97 55.06 1fup s LYS 324 Cb 0.00 -5.09 0.12 0.00 -1.51 0.00 0.00 37.83 31.35 1fup s LYS 324 CO 0.00 -2.98 0.32 0.08 -0.36 0.00 0.00 175.35 172.41 1fup s VAL 325 N 8.46 3.99 0.17 4.02 1.01 -1.26 -4.97 120.40 131.82 1fup s VAL 325 Ca 0.62 -1.87 -0.30 0.00 0.00 0.00 0.00 61.98 60.43 1fup s VAL 325 Cb -0.05 -3.65 -0.08 0.00 0.00 0.00 0.00 36.38 32.59 1fup s VAL 325 CO -0.02 -0.76 1.32 0.20 0.00 0.00 0.00 175.10 175.84 1fup s ASN 326 N 2.46 6.90 -1.36 3.32 0.01 -1.26 -4.90 114.94 120.10 1fup s ASN 326 Ca 0.06 2.35 -0.09 0.00 -0.71 0.00 0.00 52.86 54.48 1fup s ASN 326 Cb -0.25 -2.60 -0.07 0.00 0.41 0.00 0.00 41.25 38.73 1fup s ASN 326 CO -0.02 -0.55 2.64 -0.81 -1.51 0.00 0.00 177.10 176.85 1fup n PRO 327 N 3.04 3.08 -0.28 -0.60 -0.04 -1.26 -4.74 135.00 134.19 1fup n PRO 327 Ca 0.08 -1.93 0.07 0.00 -0.04 0.00 0.00 63.50 61.68 1fup n PRO 327 Cb 0.43 -2.68 0.22 0.00 -0.04 0.00 0.00 33.50 31.44 1fup n PRO 327 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1fup h THR 328 N 3.18 0.67 -0.07 0.52 1.35 -1.96 0.13 112.91 116.73 1fup h THR 328 Ca 0.73 -0.18 -0.04 0.00 -0.55 0.00 0.00 66.41 66.37 1fup h THR 328 Cb 0.24 0.09 -0.01 0.00 -1.73 0.00 0.00 68.15 66.74 1fup h THR 328 CO 1.66 0.10 -0.14 1.56 -0.25 0.00 0.00 175.52 178.46 1fup h GLN 329 N 0.53 0.11 -0.13 4.72 1.08 -1.93 -0.10 115.11 119.40 1fup h GLN 329 Ca 0.46 -0.02 -0.20 0.00 -1.45 0.00 0.00 58.65 57.44 1fup h GLN 329 Cb 0.70 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 1fup h GLN 329 CO -0.40 0.25 -0.74 0.00 -0.95 0.00 0.00 178.83 176.99 1fup h GLU 331 N 0.44 0.49 -0.23 0.00 5.08 -0.58 -0.96 114.58 118.81 1fup h GLU 331 Ca -0.04 -0.21 -0.18 0.00 -1.00 0.00 0.00 59.36 57.94 1fup h GLU 331 Cb 1.34 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.57 1fup h GLU 331 CO 0.14 0.75 -0.57 0.00 -1.00 0.00 0.00 179.01 178.33 1fup h ALA 332 N 1.25 0.57 -0.19 3.43 0.00 -0.95 -2.55 119.26 120.81 1fup h ALA 332 Ca 0.05 -0.52 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 1fup h ALA 332 Cb 0.75 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1fup h ALA 332 CO 0.06 0.69 -0.26 1.25 0.00 0.00 0.00 179.25 180.99 1fup h LEU 333 N 0.54 0.56 -0.82 0.00 5.85 -1.14 -2.70 115.31 117.61 1fup h LEU 333 Ca 0.01 -0.51 -0.05 0.00 0.84 0.00 0.00 57.88 58.17 1fup h LEU 333 Cb 1.15 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 1fup h LEU 333 CO 0.12 0.96 0.29 0.71 -0.34 0.00 0.00 178.44 180.18 1fup h THR 334 N 0.18 1.26 -0.60 1.05 1.35 -1.23 -1.88 112.91 113.05 1fup h THR 334 Ca 0.02 -0.84 -0.00 0.00 -0.55 0.00 0.00 66.41 65.04 1fup h THR 334 Cb 0.83 0.35 -0.03 0.00 -1.73 0.00 0.00 68.15 67.56 1fup h THR 334 CO 0.06 0.34 0.37 0.24 -0.25 0.00 0.00 175.52 176.28 1fup h MET 335 N 1.13 0.81 0.00 4.72 2.86 -1.45 -2.18 114.93 120.82 1fup h MET 335 Ca 0.26 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.78 1fup h MET 335 Cb 0.24 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 1fup h MET 335 CO -0.02 0.57 -0.22 1.37 1.06 0.00 0.00 176.91 179.68 1fup h LEU 336 N 0.81 0.00 -0.31 1.22 8.10 -1.24 -2.76 115.31 121.12 1fup h LEU 336 Ca 0.21 0.00 -0.15 0.00 0.11 0.00 0.00 57.88 58.06 1fup h LEU 336 Cb -0.03 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.19 1fup h LEU 336 CO -0.04 0.22 -0.38 0.00 -4.11 0.00 0.00 178.44 174.12 1fup h GLN 339 N 0.99 0.56 -0.84 0.00 5.75 -1.18 -2.00 115.11 118.40 1fup h GLN 339 Ca 0.26 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 58.67 1fup h GLN 339 Cb -0.06 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.35 1fup h GLN 339 CO -0.05 0.48 0.47 0.28 -2.65 0.00 0.00 178.83 177.36 1fup h VAL 340 N 0.50 1.24 -0.69 2.39 2.07 -0.88 0.82 116.25 121.70 1fup h VAL 340 Ca 0.14 -0.59 0.01 0.00 0.82 0.00 0.00 66.70 67.08 1fup h VAL 340 Cb 0.10 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 29.93 1fup h VAL 340 CO -0.02 0.27 0.45 0.24 0.02 0.00 0.00 177.57 178.53 1fup h MET 341 N 1.17 0.89 -0.31 1.57 2.86 -1.02 -1.20 114.93 118.89 1fup h MET 341 Ca 0.30 -0.05 -0.15 0.00 -2.06 0.00 0.00 59.70 57.74 1fup h MET 341 Cb 0.01 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 1fup h MET 341 CO -0.05 0.59 -0.39 0.78 1.06 0.00 0.00 176.91 178.90 1fup h GLY 342 N 0.92 0.82 1.82 8.32 0.00 -0.75 -2.98 103.07 111.21 1fup h GLY 342 Ca 0.26 -0.83 -0.03 0.00 0.00 0.00 0.00 47.33 46.73 1fup h GLY 342 CO -0.07 0.75 -0.05 3.43 0.00 0.00 0.00 176.54 180.60 1fup h ASN 343 N 0.62 0.21 -0.57 0.19 2.35 -0.25 -2.44 115.58 115.69 1fup h ASN 343 Ca 0.05 -0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 1fup h ASN 343 Cb 0.94 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 39.23 1fup h ASN 343 CO 0.09 0.30 0.17 -0.78 -1.65 0.00 0.00 177.43 175.56 1fup h ASP 344 N 0.23 0.83 -0.57 5.81 3.58 -1.08 -1.52 116.42 123.69 1fup h ASP 344 Ca 0.05 -0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.28 1fup h ASP 344 Cb 0.24 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.05 1fup h ASP 344 CO 0.01 0.83 0.31 0.58 -2.88 0.00 0.00 179.24 178.08 1fup h VAL 345 N 0.80 1.19 -0.51 2.25 2.07 -1.43 0.61 116.25 121.23 1fup h VAL 345 Ca 0.18 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1fup h VAL 345 Cb 0.30 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1fup h VAL 345 CO -0.00 0.21 0.24 0.00 0.02 0.00 0.00 177.57 178.04 1fup h ALA 346 N 1.14 0.65 -0.65 1.67 0.00 -1.35 -1.69 119.26 119.03 1fup h ALA 346 Ca 0.20 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1fup h ALA 346 Cb 0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1fup h ALA 346 CO -0.03 0.21 0.12 0.82 0.00 0.00 0.00 179.25 180.37 1fup h ILE 347 N 0.67 1.26 -0.16 0.00 2.04 -0.98 -2.33 117.51 118.01 1fup h ILE 347 Ca 0.17 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 1fup h ILE 347 Cb 0.12 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1fup h ILE 347 CO -0.02 0.38 0.07 0.78 0.00 0.00 0.00 178.15 179.36 1fup h ASN 348 N 1.00 0.22 -0.89 1.72 2.35 -0.47 0.31 115.58 119.83 1fup h ASN 348 Ca 0.20 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 1fup h ASN 348 Cb 0.41 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.68 1fup h ASN 348 CO 0.01 0.30 0.47 0.24 -1.65 0.00 0.00 177.43 176.79 1fup h MET 349 N 0.12 1.25 -0.30 0.81 2.86 -1.29 -0.40 114.93 117.99 1fup h MET 349 Ca 0.06 -0.16 -0.10 0.00 -2.06 0.00 0.00 59.70 57.44 1fup h MET 349 Cb 0.14 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 1fup h MET 349 CO -0.01 0.93 -0.20 0.78 1.06 0.00 0.00 176.91 179.47 1fup h GLY 350 N 1.25 0.72 2.00 8.32 0.00 -1.15 -2.33 103.07 111.89 1fup h GLY 350 Ca 0.31 -0.69 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 1fup h GLY 350 CO -0.05 0.62 -0.24 -1.33 0.00 0.00 0.00 176.54 175.55 1fup h GLY 351 N 0.42 0.00 1.33 4.60 0.00 -0.04 -2.48 103.07 106.90 1fup h GLY 351 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1fup h GLY 351 CO 0.05 0.00 -0.50 0.00 0.00 0.00 0.00 176.54 176.09 1fup h ALA 352 N 1.76 0.67 -0.33 3.60 0.00 -0.97 -3.38 119.26 120.61 1fup h ALA 352 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1fup h ALA 352 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1fup h ALA 352 CO 0.03 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.71 1fup n SER 353 N -2.17 3.32 -4.77 0.00 7.64 -0.89 -4.96 113.62 111.80 1fup n SER 353 Ca 0.04 -2.42 -0.33 0.00 1.01 0.00 0.00 58.87 57.17 1fup n SER 353 Cb 0.44 -0.54 0.05 0.00 -1.01 0.00 0.00 64.21 63.14 1fup n SER 353 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1fup s GLY 354 N -0.52 2.14 -0.05 0.23 0.00 -1.26 -4.79 107.32 103.07 1fup s GLY 354 Ca 0.29 0.53 0.01 0.00 0.00 0.00 0.00 44.72 45.55 1fup s GLY 354 CO 0.10 0.88 -0.04 -1.31 0.00 0.00 0.00 173.10 172.73 1fup s ASN 355 N -2.62 1.10 1.02 1.64 -0.87 -1.21 -4.99 114.94 109.00 1fup s ASN 355 Ca 0.67 -0.14 0.00 0.00 -1.57 0.00 0.00 52.86 51.82 1fup s ASN 355 Cb -0.20 -0.48 0.00 0.00 -0.02 0.00 0.00 41.25 40.55 1fup s ASN 355 CO 0.42 -0.07 0.00 0.49 -2.57 0.00 0.00 177.10 175.37 1fup n PHE 356 N 4.20 0.00 0.55 2.20 3.72 -1.26 -2.46 117.46 124.40 1fup n PHE 356 Ca -0.22 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.30 1fup n PHE 356 Cb 0.51 0.00 0.45 0.00 -0.94 0.00 0.00 39.48 39.50 1fup n PHE 356 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1fup n GLU 357 N 14.00 0.21 -3.75 -1.08 4.71 -1.26 -4.69 120.64 128.77 1fup n GLU 357 Ca 0.00 0.29 -0.13 0.00 -0.01 0.00 0.00 57.16 57.31 1fup n GLU 357 Cb 0.00 -1.80 -0.13 0.00 -1.01 0.00 0.00 31.44 28.50 1fup n GLU 357 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1fup s LEU 358 N -4.35 0.69 -0.20 -4.62 2.96 -1.03 -3.31 118.68 108.82 1fup s LEU 358 Ca 0.08 0.49 -0.21 0.00 -0.22 0.00 0.00 54.13 54.28 1fup s LEU 358 Cb 0.11 0.74 -0.02 0.00 0.50 0.00 0.00 46.19 47.52 1fup s LEU 358 CO 0.50 -0.13 0.64 0.21 -1.32 0.00 0.00 176.35 176.24 1fup s ASN 359 N 0.82 6.69 -0.54 3.68 3.84 -0.99 -3.33 114.94 125.12 1fup s ASN 359 Ca -0.06 0.84 0.03 0.00 0.21 0.00 0.00 52.86 53.89 1fup s ASN 359 Cb -0.07 -2.35 0.41 0.00 -0.55 0.00 0.00 41.25 38.69 1fup s ASN 359 CO -0.05 -0.28 1.41 1.33 -2.79 0.00 0.00 177.10 176.72 1fup n VAL 360 N 4.71 2.78 -1.24 -5.21 0.24 -1.26 -4.44 118.33 113.91 1fup n VAL 360 Ca -0.01 -4.55 0.05 0.00 -2.04 0.00 0.00 64.34 57.79 1fup n VAL 360 Cb 0.50 -1.24 0.07 0.00 -1.47 0.00 0.00 33.84 31.69 1fup n VAL 360 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1fup n PHE 361 N -0.56 0.00 0.11 6.34 3.01 -1.20 -4.16 117.46 121.00 1fup n PHE 361 Ca 0.45 -0.53 -0.13 0.00 1.01 0.00 0.00 57.45 58.26 1fup n PHE 361 Cb 0.60 -0.09 -0.06 0.00 -0.01 0.00 0.00 39.48 39.92 1fup n PHE 361 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1fup h ARG 362 N 0.00 -0.36 -0.88 -1.08 3.08 -1.66 -2.56 114.38 110.92 1fup h ARG 362 Ca 0.00 0.02 0.13 0.00 0.07 0.00 0.00 59.98 60.20 1fup h ARG 362 Cb 1.07 0.08 -0.09 0.00 0.08 0.00 0.00 29.97 31.12 1fup h ARG 362 CO 0.00 -0.24 0.50 -1.35 -1.07 0.00 0.00 179.97 177.81 1fup h PRO 363 N -0.37 0.74 -0.53 0.04 0.11 -1.87 -0.98 132.00 129.15 1fup h PRO 363 Ca 0.02 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.98 1fup h PRO 363 Cb 0.38 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 1fup h PRO 363 CO -0.09 0.49 -0.10 1.98 -0.21 0.00 0.00 178.00 180.08 1fup h MET 364 N 0.77 0.97 -0.10 1.05 1.85 -1.80 -0.87 114.93 116.80 1fup h MET 364 Ca 0.45 -0.34 -0.01 0.00 -0.61 0.00 0.00 59.70 59.19 1fup h MET 364 Cb 0.53 -0.07 -0.00 0.00 0.43 0.00 0.00 31.60 32.49 1fup h MET 364 CO -0.30 1.02 0.01 0.28 -0.40 0.00 0.00 176.91 177.51 1fup h VAL 365 N 0.87 1.23 -0.22 -5.77 2.07 -0.92 -1.98 116.25 111.54 1fup h VAL 365 Ca 0.14 -0.73 -0.10 0.00 0.82 0.00 0.00 66.70 66.84 1fup h VAL 365 Cb 0.64 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1fup h VAL 365 CO 0.04 0.21 -0.28 -0.29 0.02 0.00 0.00 177.57 177.27 1fup h ILE 366 N -0.08 1.27 -0.21 4.57 6.09 -1.20 -1.07 117.51 126.87 1fup h ILE 366 Ca 0.03 -1.30 0.01 0.00 -1.37 0.00 0.00 64.86 62.22 1fup h ILE 366 Cb 0.31 1.41 -0.01 0.00 0.47 0.00 0.00 36.82 39.00 1fup h ILE 366 CO 0.00 0.41 0.13 -0.74 -3.07 0.00 0.00 178.15 174.88 1fup h HIS 367 N 0.38 0.24 -0.45 2.19 2.76 -0.97 -0.90 115.15 118.40 1fup h HIS 367 Ca 0.05 0.01 -0.14 0.00 -2.20 0.00 0.00 60.37 58.09 1fup h HIS 367 Cb 0.69 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.56 1fup h HIS 367 CO 0.02 0.15 -0.27 -0.91 -1.30 0.00 0.00 177.93 175.62 1fup h ASN 368 N 0.27 1.01 0.28 3.26 4.21 -1.21 -2.60 115.58 120.78 1fup h ASN 368 Ca 0.08 -0.42 -0.01 0.00 1.21 0.00 0.00 56.30 57.16 1fup h ASN 368 Cb -0.01 -0.28 0.00 0.00 -1.12 0.00 0.00 38.32 36.91 1fup h ASN 368 CO -0.03 1.21 -0.13 0.15 -1.29 0.00 0.00 177.43 177.33 1fup h PHE 369 N 0.81 -0.34 -0.47 1.19 3.04 -0.95 -1.78 116.94 118.44 1fup h PHE 369 Ca 0.09 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.00 1fup h PHE 369 Cb 0.85 0.11 -0.02 0.00 2.56 0.00 0.00 35.95 39.45 1fup h PHE 369 CO 0.06 -0.11 0.17 -0.07 -2.02 0.00 0.00 178.31 176.34 1fup h LEU 370 N -0.53 0.62 -0.69 0.59 3.38 -1.25 -1.97 115.31 115.46 1fup h LEU 370 Ca -0.04 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1fup h LEU 370 Cb 0.39 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1fup h LEU 370 CO 0.06 0.58 0.18 -0.61 0.09 0.00 0.00 178.44 178.74 1fup h GLN 371 N 0.67 1.10 -0.68 1.13 4.15 -1.35 -1.31 115.11 118.83 1fup h GLN 371 Ca 0.16 -0.26 -0.02 0.00 0.77 0.00 0.00 58.65 59.30 1fup h GLN 371 Cb 0.17 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 1fup h GLN 371 CO -0.01 0.97 0.33 0.77 -1.93 0.00 0.00 178.83 178.96 1fup h SER 372 N 1.03 0.89 -0.32 -0.69 0.02 -0.61 0.12 113.55 113.99 1fup h SER 372 Ca 0.22 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1fup h SER 372 Cb 0.35 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1fup h SER 372 CO 0.00 0.76 0.16 0.58 -1.14 0.00 0.00 176.83 177.19 1fup h VAL 373 N 0.94 1.16 0.02 2.27 2.07 -1.15 -0.33 116.25 121.23 1fup h VAL 373 Ca 0.23 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1fup h VAL 373 Cb 0.11 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1fup h VAL 373 CO -0.03 0.16 -0.03 -0.09 0.02 0.00 0.00 177.57 177.60 1fup h ARG 374 N 0.38 -0.06 -0.31 1.57 2.43 -0.97 0.58 114.38 118.01 1fup h ARG 374 Ca 0.11 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.30 1fup h ARG 374 Cb 0.12 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 1fup h ARG 374 CO -0.01 -0.04 0.16 -0.07 -1.51 0.00 0.00 179.97 178.49 1fup h LEU 375 N -0.07 0.25 -0.29 3.80 3.38 -0.62 -1.19 115.31 120.58 1fup h LEU 375 Ca 0.01 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1fup h LEU 375 Cb 0.07 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1fup h LEU 375 CO -0.02 0.18 -0.11 -0.07 0.09 0.00 0.00 178.44 178.52 1fup h LEU 376 N 0.34 0.59 0.44 1.67 3.38 -0.82 0.33 115.31 121.24 1fup h LEU 376 Ca 0.13 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1fup h LEU 376 Cb 0.03 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1fup h LEU 376 CO -0.08 0.85 -0.21 0.00 0.09 0.00 0.00 178.44 179.09 1fup h ALA 377 N 0.77 -0.59 -0.15 1.53 0.00 -0.81 -0.44 119.26 119.56 1fup h ALA 377 Ca 0.07 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1fup h ALA 377 Cb 0.61 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1fup h ALA 377 CO 0.04 -0.74 -0.23 -0.44 0.00 0.00 0.00 179.25 177.88 1fup h ASP 378 N -0.78 0.27 -0.40 0.00 3.32 -1.29 -2.05 116.42 115.48 1fup h ASP 378 Ca -0.06 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 56.86 1fup h ASP 378 Cb 0.54 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 1fup h ASP 378 CO 0.10 0.51 0.06 1.23 -1.72 0.00 0.00 179.24 179.42 1fup h GLY 379 N 0.94 0.73 1.01 2.75 0.00 -0.81 -1.17 103.07 106.52 1fup h GLY 379 Ca 0.04 -0.49 -0.10 0.00 0.00 0.00 0.00 47.33 46.78 1fup h GLY 379 CO 0.04 0.45 -0.11 -0.33 0.00 0.00 0.00 176.54 176.59 1fup h MET 380 N 0.52 0.84 -0.04 4.80 2.86 -0.76 -1.40 114.93 121.76 1fup h MET 380 Ca 0.12 -0.33 0.02 0.00 -2.06 0.00 0.00 59.70 57.45 1fup h MET 380 Cb 0.38 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 1fup h MET 380 CO 0.01 0.96 -0.05 1.49 1.06 0.00 0.00 176.91 180.38 1fup h GLU 381 N 0.67 -0.07 -0.57 1.72 4.22 -1.31 0.22 114.58 119.47 1fup h GLU 381 Ca 0.11 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.52 1fup h GLU 381 Cb 0.65 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 1fup h GLU 381 CO 0.04 -0.05 0.24 1.03 -2.18 0.00 0.00 179.01 178.10 1fup h SER 382 N -0.07 0.77 -0.74 1.04 0.87 -1.19 -0.96 113.55 113.27 1fup h SER 382 Ca 0.04 -0.16 -0.05 0.00 -1.23 0.00 0.00 61.79 60.39 1fup h SER 382 Cb 0.12 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 1fup h SER 382 CO -0.08 0.71 0.26 0.15 -0.53 0.00 0.00 176.83 177.34 1fup h PHE 383 N 0.77 1.16 0.74 2.24 3.57 -0.96 -0.31 116.94 124.15 1fup h PHE 383 Ca 0.19 -0.10 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 1fup h PHE 383 Cb 0.17 -0.34 0.01 0.00 2.79 0.00 0.00 35.95 38.58 1fup h PHE 383 CO 0.00 0.90 -0.35 -0.97 -2.23 0.00 0.00 178.31 175.66 1fup h ASN 384 N 1.08 -0.84 -0.39 0.41 -0.73 -0.27 0.91 115.58 115.76 1fup h ASN 384 Ca 0.24 0.03 -0.02 0.00 1.87 0.00 0.00 56.30 58.42 1fup h ASN 384 Cb 0.26 0.22 -0.02 0.00 0.27 0.00 0.00 38.32 39.05 1fup h ASN 384 CO -0.01 -0.54 0.15 0.50 -0.37 0.00 0.00 177.43 177.15 1fup h LYS 385 N -1.11 0.59 -0.30 6.67 3.64 -1.19 -1.96 116.57 122.91 1fup h LYS 385 Ca -0.10 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1fup h LYS 385 Cb 0.76 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1fup h LYS 385 CO 0.17 0.57 0.00 0.72 -2.27 0.00 0.00 179.45 178.63 1fup n HIS 386 N -4.64 0.39 0.06 1.91 8.25 -0.13 -4.71 115.22 116.35 1fup n HIS 386 Ca -0.00 -0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 1fup n HIS 386 Cb 0.15 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.26 1fup n HIS 386 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fup h ALA 388 N 0.00 0.65 0.00 0.00 0.00 -0.65 0.16 119.26 119.42 1fup h ALA 388 Ca 0.00 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1fup h ALA 388 Cb 0.00 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1fup h ALA 388 CO 0.00 -0.40 -0.01 -0.39 0.00 0.00 0.00 179.25 178.46 1fup h VAL 389 N 0.12 0.10 -0.59 0.00 -1.51 -1.61 -2.62 116.25 110.14 1fup h VAL 389 Ca 0.34 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.70 1fup h VAL 389 Cb 0.56 1.09 0.00 0.00 -2.13 0.00 0.00 31.29 30.82 1fup h VAL 389 CO -0.56 0.01 0.00 0.61 -1.23 0.00 0.00 177.57 176.40 1fup n GLY 390 N -0.93 2.77 3.67 5.19 0.00 0.56 -4.97 105.19 111.47 1fup n GLY 390 Ca -0.02 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 1fup n GLY 390 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fup s ILE 391 N -1.45 3.74 0.01 -0.61 1.01 -0.99 -4.28 121.20 118.63 1fup s ILE 391 Ca 0.44 0.96 0.04 0.00 0.00 0.00 0.00 60.65 62.09 1fup s ILE 391 Cb 0.26 -3.62 -0.01 0.00 0.01 0.00 0.00 42.46 39.10 1fup s ILE 391 CO 0.25 -0.07 -0.13 -1.61 0.00 0.00 0.00 174.94 173.38 1fup s GLU 392 N 3.59 0.96 0.20 2.79 0.41 -0.63 -4.99 118.70 121.04 1fup s GLU 392 Ca 0.67 -0.57 -0.28 0.00 -0.41 0.00 0.00 54.97 54.39 1fup s GLU 392 Cb -0.31 -0.94 -0.08 0.00 -1.78 0.00 0.00 34.13 31.02 1fup s GLU 392 CO 0.26 0.25 0.87 -1.25 -0.49 0.00 0.00 175.26 174.89 1fup s PRO 393 N -0.64 4.73 -1.19 0.39 0.04 -1.26 0.02 135.00 137.08 1fup s PRO 393 Ca 0.03 1.34 -0.08 0.00 0.04 0.00 0.00 61.00 62.33 1fup s PRO 393 Cb -0.06 -3.27 0.22 0.00 0.04 0.00 0.00 34.50 31.43 1fup s PRO 393 CO 0.00 0.54 1.62 0.09 0.04 0.00 0.00 177.00 179.29 1fup n ASN 394 N 1.56 5.56 -0.29 6.66 3.02 0.36 -4.86 115.26 127.27 1fup n ASN 394 Ca -0.04 -3.18 0.15 0.00 -0.03 0.00 0.00 54.58 51.49 1fup n ASN 394 Cb 0.48 -1.42 0.29 0.00 -0.61 0.00 0.00 39.78 38.52 1fup n ASN 394 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1fup n ARG 395 N 3.24 -0.06 0.26 3.52 1.74 -1.26 -0.97 116.66 123.12 1fup n ARG 395 Ca 0.34 1.25 -0.16 0.00 -0.77 0.00 0.00 57.85 58.51 1fup n ARG 395 Cb 0.37 -2.03 -0.08 0.00 -1.02 0.00 0.00 32.46 29.70 1fup n ARG 395 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1fup h GLU 396 N 0.00 -0.65 -0.74 5.56 5.08 -1.96 -1.43 114.58 120.44 1fup h GLU 396 Ca 0.55 0.04 0.10 0.00 -1.00 0.00 0.00 59.36 59.06 1fup h GLU 396 Cb 1.20 0.15 -0.08 0.00 0.50 0.00 0.00 28.75 30.52 1fup h GLU 396 CO -0.77 -0.43 0.37 0.00 -1.00 0.00 0.00 179.01 177.17 1fup h ARG 397 N -0.68 0.59 -0.17 2.33 2.47 -1.37 0.37 114.38 117.92 1fup h ARG 397 Ca -0.05 -0.04 0.02 0.00 -1.26 0.00 0.00 59.98 58.66 1fup h ARG 397 Cb 0.55 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.71 1fup h ARG 397 CO 0.06 0.39 0.02 0.82 0.56 0.00 0.00 179.97 181.82 1fup h ILE 398 N 0.60 0.91 -0.52 2.04 2.04 -1.12 -1.57 117.51 119.89 1fup h ILE 398 Ca 0.37 -0.03 -0.11 0.00 1.00 0.00 0.00 64.86 66.09 1fup h ILE 398 Cb 0.42 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 1fup h ILE 398 CO -0.29 0.02 -0.12 0.78 0.00 0.00 0.00 178.15 178.54 1fup h ASN 399 N 0.08 1.01 -0.33 1.72 4.21 -0.51 -1.38 115.58 120.39 1fup h ASN 399 Ca 0.08 -0.36 0.06 0.00 1.21 0.00 0.00 56.30 57.29 1fup h ASN 399 Cb 0.08 -0.28 -0.05 0.00 -1.12 0.00 0.00 38.32 36.95 1fup h ASN 399 CO -0.11 1.14 0.00 -0.61 -1.29 0.00 0.00 177.43 176.55 1fup h GLN 400 N 0.88 0.09 -0.40 0.81 4.15 -0.68 0.50 115.11 120.46 1fup h GLN 400 Ca 0.13 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.52 1fup h GLN 400 Cb 0.69 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.34 1fup h GLN 400 CO 0.05 0.06 0.12 -0.07 -1.93 0.00 0.00 178.83 177.06 1fup h LEU 401 N 0.09 0.58 -0.77 -2.39 3.38 -1.16 -2.19 115.31 112.86 1fup h LEU 401 Ca 0.16 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.96 1fup h LEU 401 Cb 0.21 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1fup h LEU 401 CO -0.27 0.63 0.48 0.25 0.09 0.00 0.00 178.44 179.63 1fup h LEU 402 N 0.50 0.79 -0.68 1.67 6.46 -0.61 -1.28 115.31 122.16 1fup h LEU 402 Ca 0.13 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 1fup h LEU 402 Cb 0.26 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.02 1fup h LEU 402 CO -0.00 0.54 0.00 0.59 -0.62 0.00 0.00 178.44 178.94 1fup n ASN 403 N -4.63 1.00 -0.00 1.25 3.02 0.11 -3.39 115.26 112.62 1fup n ASN 403 Ca 0.09 -1.76 0.04 0.00 -0.03 0.00 0.00 54.58 52.93 1fup n ASN 403 Cb 0.10 -0.09 -0.06 0.00 -0.61 0.00 0.00 39.78 39.12 1fup n ASN 403 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1fup n GLU 404 N -0.05 2.15 -3.09 3.52 2.13 -0.53 -4.73 120.64 120.03 1fup n GLU 404 Ca 0.12 -0.04 -0.33 0.00 0.66 0.00 0.00 57.16 57.56 1fup n GLU 404 Cb 0.20 -1.07 -0.06 0.00 0.27 0.00 0.00 31.44 30.77 1fup n GLU 404 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1fup s SER 405 N -2.46 6.83 0.00 4.31 1.04 -0.89 -4.89 113.70 117.64 1fup s SER 405 Ca -0.00 1.35 0.29 0.00 0.48 0.00 0.00 55.95 58.07 1fup s SER 405 Cb 0.06 -2.40 1.22 0.00 0.10 0.00 0.00 66.02 65.00 1fup s SER 405 CO 0.38 -0.20 1.87 0.18 0.98 0.00 0.00 173.24 176.45 1fup n LEU 406 N -0.30 0.23 0.30 2.42 7.99 -1.26 -4.13 117.00 122.26 1fup n LEU 406 Ca 0.03 0.20 0.19 0.00 -0.01 0.00 0.00 56.01 56.42 1fup n LEU 406 Cb 0.53 -0.30 1.02 0.00 -0.11 0.00 0.00 43.42 44.56 1fup n LEU 406 CO 0.41 0.05 1.16 0.24 -1.51 0.00 0.00 177.39 177.73 1fup h MET 407 N 0.21 0.00 0.00 3.23 2.86 -1.93 -2.66 114.93 116.64 1fup h MET 407 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1fup h MET 407 Cb 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1fup h MET 407 CO 0.00 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.25 1fup n LEU 408 N -3.45 0.18 0.23 1.22 4.77 -1.26 -3.63 117.00 115.06 1fup n LEU 408 Ca -0.02 0.53 0.17 0.00 -0.03 0.00 0.00 56.01 56.66 1fup n LEU 408 Cb 0.14 -0.49 0.78 0.00 -2.33 0.00 0.00 43.42 41.53 1fup n LEU 408 CO 0.23 -0.19 1.15 1.62 -1.33 0.00 0.00 177.39 178.88 1fup h VAL 409 N 0.00 0.18 -1.00 4.08 3.04 -1.80 -0.95 116.25 119.80 1fup h VAL 409 Ca 0.00 0.00 0.09 0.00 -1.01 0.00 0.00 66.70 65.78 1fup h VAL 409 Cb 0.42 0.66 -0.07 0.00 -2.01 0.00 0.00 31.29 30.29 1fup h VAL 409 CO 0.00 0.00 0.64 0.71 -1.01 0.00 0.00 177.57 177.91 1fup h THR 410 N 0.00 1.02 0.00 3.17 1.35 -1.84 -1.05 112.91 115.55 1fup h THR 410 Ca 0.09 -0.38 -0.01 0.00 -0.55 0.00 0.00 66.41 65.56 1fup h THR 410 Cb 0.84 -0.18 -0.00 0.00 -1.73 0.00 0.00 68.15 67.08 1fup h THR 410 CO -0.00 0.20 -0.06 0.00 -0.25 0.00 0.00 175.52 175.41 1fup h ALA 411 N 1.49 1.88 -0.01 6.62 0.00 -1.48 -2.24 119.26 125.53 1fup h ALA 411 Ca 0.46 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 55.16 1fup h ALA 411 Cb 0.31 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1fup h ALA 411 CO -0.21 0.07 -0.76 -0.07 0.00 0.00 0.00 179.25 178.28 1fup h LEU 412 N 0.00 0.07 -0.82 0.00 3.38 -1.34 -3.30 115.31 113.30 1fup h LEU 412 Ca -0.00 -0.05 0.16 0.00 0.09 0.00 0.00 57.88 58.07 1fup h LEU 412 Cb 0.10 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 40.73 1fup h LEU 412 CO 0.01 0.80 0.38 0.78 0.09 0.00 0.00 178.44 180.49 1fup h ASN 413 N 0.03 0.40 0.33 -0.43 -0.26 -1.29 0.43 115.58 114.79 1fup h ASN 413 Ca -0.01 0.11 0.00 0.00 -0.56 0.00 0.00 56.30 55.83 1fup h ASN 413 Cb 1.33 0.06 0.00 0.00 -1.06 0.00 0.00 38.32 38.65 1fup h ASN 413 CO 0.10 0.14 0.00 0.41 -1.06 0.00 0.00 177.43 177.03 1fup n THR 414 N -4.95 1.21 -0.04 2.81 -1.04 -1.24 -2.24 114.28 108.79 1fup n THR 414 Ca 0.17 0.42 0.00 0.00 -2.04 0.00 0.00 64.05 62.59 1fup n THR 414 Cb 0.46 -1.33 0.00 0.00 -1.82 0.00 0.00 70.33 67.64 1fup n THR 414 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1fup n HIS 415 N -1.87 0.00 -3.63 -1.42 8.25 0.11 -5.04 115.22 111.62 1fup n HIS 415 Ca 0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.36 1fup n HIS 415 Cb 0.11 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.15 1fup n HIS 415 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1fup s ILE 416 N -0.41 0.00 0.14 1.59 1.10 0.11 -5.10 121.20 118.63 1fup s ILE 416 Ca 0.00 0.00 -0.31 0.00 -0.51 0.00 0.00 60.65 59.83 1fup s ILE 416 Cb 0.00 -1.00 -0.17 0.00 0.15 0.00 0.00 42.46 41.44 1fup s ILE 416 CO 0.00 0.00 0.65 0.61 -2.11 0.00 0.00 174.94 174.09 1fup n GLY 417 N 3.02 -1.31 0.31 1.50 0.00 -1.26 -3.89 105.19 103.56 1fup n GLY 417 Ca -0.15 0.44 0.13 0.00 0.00 0.00 0.00 46.02 46.44 1fup n GLY 417 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1fup n TYR 418 N 0.40 0.55 -0.11 1.61 4.19 -1.26 -0.56 117.16 121.98 1fup n TYR 418 Ca 0.18 1.09 -0.13 0.00 3.31 0.00 0.00 57.90 62.35 1fup n TYR 418 Cb 0.20 -1.16 -0.03 0.00 0.49 0.00 0.00 39.34 38.83 1fup n TYR 418 CO 0.00 0.00 0.00 0.38 0.91 0.00 0.00 176.86 178.15 1fup h ASP 419 N 0.00 0.87 -0.19 2.98 2.03 -1.97 -0.72 116.42 119.42 1fup h ASP 419 Ca 0.53 -0.47 -0.03 0.00 -0.73 0.00 0.00 57.03 56.34 1fup h ASP 419 Cb 1.08 -0.24 -0.01 0.00 -0.83 0.00 0.00 39.33 39.33 1fup h ASP 419 CO -0.86 1.16 0.01 0.11 -1.03 0.00 0.00 179.24 178.63 1fup h LYS 420 N 0.59 0.33 -0.18 4.15 1.79 -1.15 0.55 116.57 122.64 1fup h LYS 420 Ca 0.05 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1fup h LYS 420 Cb 0.91 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.52 1fup h LYS 420 CO 0.08 0.53 0.12 0.00 -1.08 0.00 0.00 179.45 179.10 1fup h ALA 421 N 0.79 0.23 0.00 3.86 0.00 -1.20 -0.74 119.26 122.20 1fup h ALA 421 Ca 0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1fup h ALA 421 Cb 0.38 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1fup h ALA 421 CO 0.01 -0.27 -0.13 0.00 0.00 0.00 0.00 179.25 178.86 1fup h ALA 422 N 1.05 1.38 -0.55 0.00 0.00 -0.96 -2.62 119.26 117.56 1fup h ALA 422 Ca 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1fup h ALA 422 Cb -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1fup h ALA 422 CO -0.01 0.16 0.25 1.49 0.00 0.00 0.00 179.25 181.14 1fup h GLU 423 N 0.00 0.79 -0.05 0.00 4.81 0.16 -1.24 114.58 119.05 1fup h GLU 423 Ca -0.00 -0.12 -0.12 0.00 -0.13 0.00 0.00 59.36 58.98 1fup h GLU 423 Cb 0.31 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1fup h GLU 423 CO 0.02 0.66 -0.52 -0.84 -0.73 0.00 0.00 179.01 177.59 1fup h ILE 424 N 0.74 1.37 -0.30 2.32 3.07 -1.16 -2.67 117.51 120.87 1fup h ILE 424 Ca 0.19 -1.80 -0.07 0.00 1.55 0.00 0.00 64.86 64.73 1fup h ILE 424 Cb 0.14 1.91 -0.02 0.00 -0.27 0.00 0.00 36.82 38.59 1fup h ILE 424 CO -0.02 0.53 -0.10 0.00 -1.05 0.00 0.00 178.15 177.50 1fup h ALA 425 N 1.36 1.27 -0.34 0.16 0.00 -1.28 0.11 119.26 120.54 1fup h ALA 425 Ca 0.00 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 1fup h ALA 425 Cb 0.96 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1fup h ALA 425 CO 0.08 0.48 -0.17 0.87 0.00 0.00 0.00 179.25 180.51 1fup h LYS 426 N 0.46 0.72 -0.12 0.00 1.57 -0.99 -1.92 116.57 116.29 1fup h LYS 426 Ca 0.09 -0.32 -0.03 0.00 -1.87 0.00 0.00 60.65 58.53 1fup h LYS 426 Cb 0.46 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 1fup h LYS 426 CO 0.03 0.92 -0.02 -0.22 -0.57 0.00 0.00 179.45 179.58 1fup h LYS 427 N 0.50 0.23 -0.14 3.15 3.64 -1.10 0.46 116.57 123.30 1fup h LYS 427 Ca 0.08 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1fup h LYS 427 Cb 0.71 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 1fup h LYS 427 CO 0.05 0.52 -0.07 0.00 -2.27 0.00 0.00 179.45 177.68 1fup h ALA 428 N 0.70 0.05 0.22 5.00 0.00 -0.83 0.43 119.26 124.83 1fup h ALA 428 Ca 0.03 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1fup h ALA 428 Cb 0.43 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1fup h ALA 428 CO 0.01 -0.52 -0.17 1.25 0.00 0.00 0.00 179.25 179.82 1fup h HIS 429 N -0.06 -0.44 -0.22 0.00 -0.00 -1.31 0.62 115.15 113.73 1fup h HIS 429 Ca 0.08 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.44 1fup h HIS 429 Cb 0.18 0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.74 1fup h HIS 429 CO -0.21 -0.26 0.09 -0.22 -0.00 0.00 0.00 177.93 177.34 1fup h LYS 430 N -0.40 0.33 0.00 5.26 1.63 -0.67 -3.10 116.57 119.62 1fup h LYS 430 Ca -0.01 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 1fup h LYS 430 Cb 0.35 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1fup h LYS 430 CO -0.01 0.37 -0.08 0.93 -3.45 0.00 0.00 179.45 177.21 1fup h GLU 431 N 0.21 0.00 0.00 1.90 3.07 -0.09 -3.47 114.58 116.20 1fup h GLU 431 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 1fup h GLU 431 Cb 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 1fup h GLU 431 CO -0.01 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.01 1fup n GLY 432 N 1.28 0.51 3.97 -3.84 0.00 0.19 -5.04 105.19 102.26 1fup n GLY 432 Ca 0.05 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 45.08 1fup n GLY 432 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fup s LEU 433 N 0.00 3.00 0.38 0.99 1.02 0.34 -4.99 118.68 119.42 1fup s LEU 433 Ca 0.00 -0.13 -0.00 0.00 0.02 0.00 0.00 54.13 54.02 1fup s LEU 433 Cb 0.00 -2.36 -0.03 0.00 0.02 0.00 0.00 46.19 43.83 1fup s LEU 433 CO 0.00 -1.73 0.60 0.42 0.02 0.00 0.00 176.35 175.65 1fup s THR 434 N -3.13 4.88 0.29 5.49 -4.23 -1.26 -4.45 115.64 113.23 1fup s THR 434 Ca 0.64 -0.39 0.03 0.00 -1.18 0.00 0.00 61.69 60.79 1fup s THR 434 Cb -0.07 -3.79 0.29 0.00 1.34 0.00 0.00 72.50 70.26 1fup s THR 434 CO 0.44 -0.55 1.81 -0.07 -0.54 0.00 0.00 174.62 175.70 1fup h LEU 435 N 0.63 0.85 -0.09 4.79 3.38 -1.86 -0.40 115.31 122.61 1fup h LEU 435 Ca -0.49 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 1fup h LEU 435 Cb 1.22 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 1fup h LEU 435 CO 0.61 0.39 -0.08 0.50 0.09 0.00 0.00 178.44 179.95 1fup h LYS 436 N 0.88 0.21 -0.67 1.13 3.64 -1.94 0.32 116.57 120.13 1fup h LYS 436 Ca 0.53 -0.10 0.06 0.00 -1.27 0.00 0.00 60.65 59.86 1fup h LYS 436 Cb 0.67 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.44 1fup h LYS 436 CO -0.32 0.62 0.38 0.00 -2.27 0.00 0.00 179.45 177.86 1fup h ALA 437 N 0.58 0.90 -0.40 5.00 0.00 -1.77 0.10 119.26 123.68 1fup h ALA 437 Ca 0.02 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 1fup h ALA 437 Cb 0.57 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1fup h ALA 437 CO 0.02 0.06 -0.32 0.00 0.00 0.00 0.00 179.25 179.01 1fup h ALA 438 N 1.35 0.68 -0.70 0.00 0.00 -1.08 -0.82 119.26 118.69 1fup h ALA 438 Ca 0.30 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1fup h ALA 438 Cb 0.18 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1fup h ALA 438 CO -0.18 0.67 0.27 0.00 0.00 0.00 0.00 179.25 180.01 1fup h ALA 439 N 0.89 0.92 -0.02 0.00 0.00 -0.04 -0.64 119.26 120.36 1fup h ALA 439 Ca 0.08 -0.19 -0.22 0.00 0.00 0.00 0.00 54.91 54.57 1fup h ALA 439 Cb 0.89 -0.27 0.02 0.00 0.00 0.00 0.00 17.79 18.42 1fup h ALA 439 CO 0.08 0.55 -0.85 -0.07 0.00 0.00 0.00 179.25 178.96 1fup h LEU 440 N 1.01 0.79 -0.90 0.00 3.38 -0.76 -1.98 115.31 116.85 1fup h LEU 440 Ca 0.23 -0.73 -0.08 0.00 0.09 0.00 0.00 57.88 57.39 1fup h LEU 440 Cb 0.23 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1fup h LEU 440 CO -0.02 1.41 -0.09 0.00 0.09 0.00 0.00 178.44 179.83 1fup h ALA 441 N 0.40 1.08 0.00 1.53 0.00 -1.11 -0.84 119.26 120.31 1fup h ALA 441 Ca -0.10 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1fup h ALA 441 Cb 1.52 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1fup h ALA 441 CO 0.17 0.57 0.00 -0.11 0.00 0.00 0.00 179.25 179.88 1fup n LEU 442 N -4.18 0.00 -1.48 0.00 7.94 -0.25 -4.88 117.00 114.14 1fup n LEU 442 Ca 0.01 0.22 -0.19 0.00 -1.11 0.00 0.00 56.01 54.94 1fup n LEU 442 Cb 0.34 -0.22 -0.08 0.00 0.53 0.00 0.00 43.42 43.99 1fup n LEU 442 CO 0.42 -0.03 -0.18 0.61 -1.11 0.00 0.00 177.39 177.09 1fup n GLY 443 N 0.85 1.84 0.06 -3.96 0.00 -0.32 -4.85 105.19 98.80 1fup n GLY 443 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1fup n GLY 443 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1fup n TYR 444 N -2.35 0.43 -3.91 1.61 4.02 -0.77 -4.92 117.16 111.27 1fup n TYR 444 Ca -0.19 0.15 -0.01 0.00 -0.01 0.00 0.00 57.90 57.83 1fup n TYR 444 Cb 0.67 -0.74 0.02 0.00 -0.02 0.00 0.00 39.34 39.27 1fup n TYR 444 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 176.86 177.32 1fup n LEU 445 N -1.87 0.00 -4.68 7.72 -0.00 -1.24 -5.07 117.00 111.85 1fup n LEU 445 Ca 0.05 -1.14 -0.23 0.00 -0.00 0.00 0.00 56.01 54.69 1fup n LEU 445 Cb 0.29 2.45 -0.07 0.00 -0.00 0.00 0.00 43.42 46.10 1fup n LEU 445 CO 0.23 -0.38 -0.29 -0.94 -0.00 0.00 0.00 177.39 176.01 1fup s SER 446 N -3.42 4.74 0.22 1.45 1.04 -1.26 -4.54 113.70 111.94 1fup s SER 446 Ca 0.24 -0.57 -0.07 0.00 0.48 0.00 0.00 55.95 56.02 1fup s SER 446 Cb -0.02 -0.95 0.34 0.00 0.10 0.00 0.00 66.02 65.48 1fup s SER 446 CO 0.04 -0.01 1.75 -0.08 0.98 0.00 0.00 173.24 175.92 1fup h GLU 447 N 1.80 0.48 0.31 4.02 4.81 -1.99 -0.68 114.58 123.33 1fup h GLU 447 Ca -0.45 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1fup h GLU 447 Cb 1.25 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 1fup h GLU 447 CO 0.60 0.32 -0.38 0.00 -0.73 0.00 0.00 179.01 178.82 1fup h ALA 448 N 1.45 -0.79 -0.02 2.92 0.00 -2.00 -1.44 119.26 119.39 1fup h ALA 448 Ca 0.35 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1fup h ALA 448 Cb 0.43 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1fup h ALA 448 CO -0.31 -0.99 -0.35 1.05 0.00 0.00 0.00 179.25 178.65 1fup h GLU 449 N -0.74 0.04 0.83 0.00 4.11 -1.92 -2.53 114.58 114.37 1fup h GLU 449 Ca -0.01 -0.02 -0.04 0.00 0.07 0.00 0.00 59.36 59.36 1fup h GLU 449 Cb 0.69 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.94 1fup h GLU 449 CO -0.11 0.39 -0.40 0.35 0.07 0.00 0.00 179.01 179.31 1fup h PHE 450 N 0.04 -1.03 -0.76 2.06 3.57 -0.82 -1.92 116.94 118.08 1fup h PHE 450 Ca 0.00 -0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.61 1fup h PHE 450 Cb 0.64 0.34 -0.05 0.00 2.79 0.00 0.00 35.95 39.67 1fup h PHE 450 CO 0.00 -0.64 0.50 -0.44 -2.23 0.00 0.00 178.31 175.51 1fup h ASP 451 N -1.25 0.45 1.49 0.41 3.32 -1.23 0.82 116.42 120.42 1fup h ASP 451 Ca -0.11 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 1fup h ASP 451 Cb 0.86 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.34 1fup h ASP 451 CO 0.19 0.24 -0.12 0.77 -1.72 0.00 0.00 179.24 178.59 1fup h SER 452 N 0.48 0.00 0.04 6.45 4.64 -1.36 -3.33 113.55 120.48 1fup h SER 452 Ca 0.37 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.41 1fup h SER 452 Cb 0.75 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.81 1fup h SER 452 CO -0.13 0.12 -1.52 0.79 -0.87 0.00 0.00 176.83 175.22 1fup n TRP 453 N -3.17 1.09 -2.60 4.77 8.01 0.08 -4.64 117.44 120.98 1fup n TRP 453 Ca 0.02 0.38 -0.42 0.00 -1.31 0.00 0.00 57.50 56.17 1fup n TRP 453 Cb 0.49 -1.12 -0.01 0.00 -2.01 0.00 0.00 31.31 28.66 1fup n TRP 453 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 1fup s VAL 454 N -2.43 4.11 -0.82 -0.99 0.11 -0.04 -4.76 120.40 115.57 1fup s VAL 454 Ca -0.27 -1.56 -0.10 0.00 -2.93 0.00 0.00 61.98 57.12 1fup s VAL 454 Cb 0.06 -5.13 0.21 0.00 -1.53 0.00 0.00 36.38 29.99 1fup s VAL 454 CO 0.65 -1.97 0.73 -0.13 -3.33 0.00 0.00 175.10 171.05 1fup s ARG 455 N 4.33 3.41 0.51 1.54 1.81 -1.26 -4.86 118.95 124.42 1fup s ARG 455 Ca 0.50 -2.63 0.16 0.00 -1.72 0.00 0.00 55.73 52.04 1fup s ARG 455 Cb 0.02 -4.25 1.24 0.00 -0.45 0.00 0.00 34.95 31.51 1fup s ARG 455 CO 0.01 -1.26 2.13 -1.00 -0.68 0.00 0.00 175.30 174.51 1fup h PRO 456 N 7.35 0.00 0.00 3.54 0.13 -1.91 -1.40 132.00 139.71 1fup h PRO 456 Ca 0.09 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1fup h PRO 456 Cb 0.98 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1fup h PRO 456 CO 0.78 0.02 0.00 -0.85 -0.23 0.00 0.00 178.00 177.72 1fup n GLU 457 N -4.51 0.35 -0.58 0.86 0.00 -1.26 -1.92 120.64 113.58 1fup n GLU 457 Ca -0.03 0.08 0.03 0.00 0.00 0.00 0.00 57.16 57.23 1fup n GLU 457 Cb 0.11 -1.50 0.22 0.00 0.00 0.00 0.00 31.44 30.27 1fup n GLU 457 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1fup n GLN 458 N -1.15 2.23 -0.56 3.44 6.02 -0.53 -5.12 117.38 121.70 1fup n GLN 458 Ca 0.09 -2.98 0.00 0.00 -0.01 0.00 0.00 57.00 54.10 1fup n GLN 458 Cb 0.09 -1.80 0.00 0.00 1.02 0.00 0.00 30.24 29.55 1fup n GLN 458 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72