#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fup h ASN 2 N 0.00 0.00 -3.02 6.12 2.35 -2.02 -3.46 115.58 115.55 1fup h ASN 2 Ca 0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 1fup h ASN 2 Cb 0.00 0.00 0.06 0.00 0.05 0.00 0.00 38.32 38.43 1fup h ASN 2 CO 0.00 0.51 0.88 -0.89 -1.65 0.00 0.00 177.43 176.28 1fup s THR 3 N -3.03 2.39 0.43 2.81 2.01 -1.26 -4.94 115.64 114.05 1fup s THR 3 Ca 0.03 0.30 0.08 0.00 0.31 0.00 0.00 61.69 62.41 1fup s THR 3 Cb 0.08 -3.19 -0.01 0.00 0.01 0.00 0.00 72.50 69.39 1fup s THR 3 CO 0.74 0.03 0.41 0.68 -0.69 0.00 0.00 174.62 175.79 1fup s VAL 4 N 0.65 2.57 0.01 3.82 -7.23 -1.26 -0.83 120.40 118.13 1fup s VAL 4 Ca 0.67 -1.32 0.03 0.00 -1.81 0.00 0.00 61.98 59.55 1fup s VAL 4 Cb -0.45 -2.89 -0.01 0.00 0.56 0.00 0.00 36.38 33.58 1fup s VAL 4 CO 0.38 0.00 -0.10 -0.60 -0.31 0.00 0.00 175.10 174.47 1fup s ARG 5 N -4.18 0.73 -0.36 4.82 3.52 0.12 -4.51 118.95 119.10 1fup s ARG 5 Ca 0.48 -0.44 -0.19 0.00 -0.13 0.00 0.00 55.73 55.46 1fup s ARG 5 Cb -0.04 -0.69 -0.00 0.00 -1.56 0.00 0.00 34.95 32.66 1fup s ARG 5 CO 0.28 0.18 0.54 0.45 -0.81 0.00 0.00 175.30 175.94 1fup s SER 6 N -0.52 6.33 0.26 -2.12 0.15 -1.26 -0.83 113.70 115.71 1fup s SER 6 Ca 0.02 -0.03 0.09 0.00 0.70 0.00 0.00 55.95 56.73 1fup s SER 6 Cb -0.05 -2.28 -0.04 0.00 -1.71 0.00 0.00 66.02 61.94 1fup s SER 6 CO 0.00 -0.52 0.01 -1.61 1.20 0.00 0.00 173.24 172.33 1fup s GLU 7 N 2.46 2.35 0.06 5.44 0.41 -0.52 -4.38 118.70 124.52 1fup s GLU 7 Ca 0.20 -1.39 -0.11 0.00 -0.41 0.00 0.00 54.97 53.26 1fup s GLU 7 Cb -0.15 -2.20 0.01 0.00 -1.78 0.00 0.00 34.13 30.01 1fup s GLU 7 CO 0.14 0.37 0.23 -1.59 -0.49 0.00 0.00 175.26 173.92 1fup s LYS 8 N -3.69 0.79 0.11 1.61 -2.85 -1.26 -0.36 119.74 114.09 1fup s LYS 8 Ca 0.32 -0.71 0.03 0.00 -1.00 0.00 0.00 55.97 54.60 1fup s LYS 8 Cb -0.07 0.33 -0.01 0.00 -2.06 0.00 0.00 37.83 36.03 1fup s LYS 8 CO 0.20 -0.25 0.09 -0.40 0.10 0.00 0.00 175.35 175.10 1fup n ASP 9 N 0.37 -0.20 -0.14 0.03 5.68 0.75 -4.69 116.55 118.35 1fup n ASP 9 Ca -0.17 -1.73 0.24 0.00 -0.50 0.00 0.00 54.79 52.63 1fup n ASP 9 Cb 0.60 0.55 0.68 0.00 -1.14 0.00 0.00 41.12 41.81 1fup n ASP 9 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1fup h SER 10 N 0.68 0.07 1.21 -1.12 0.02 -2.02 0.32 113.55 112.71 1fup h SER 10 Ca -0.08 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1fup h SER 10 Cb 0.40 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1fup h SER 10 CO 0.12 0.03 -0.19 0.80 -1.14 0.00 0.00 176.83 176.44 1fup n MET 11 N -4.34 0.23 0.00 3.45 0.00 -1.26 -5.04 117.12 110.15 1fup n MET 11 Ca 0.16 0.15 0.00 0.00 -0.00 0.00 0.00 57.70 58.01 1fup n MET 11 Cb 0.81 -1.72 0.00 0.00 0.00 0.00 0.00 33.22 32.30 1fup n MET 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1fup n GLY 12 N 1.35 0.78 3.90 -5.12 0.00 0.11 -5.08 105.19 101.12 1fup n GLY 12 Ca 0.05 -2.07 -0.34 0.00 0.00 0.00 0.00 46.02 43.67 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 -1.45 3.93 -0.03 4.61 0.00 -1.26 -0.18 121.76 127.37 1fup s ALA 13 Ca 0.00 -0.71 -0.13 0.00 0.00 0.00 0.00 51.96 51.13 1fup s ALA 13 Cb 0.00 -1.94 0.02 0.00 0.00 0.00 0.00 23.12 21.20 1fup s ALA 13 CO 0.00 0.72 0.28 -1.50 0.00 0.00 0.00 175.76 175.26 1fup s ILE 14 N -1.32 0.05 0.08 0.00 2.07 0.51 -4.98 121.20 117.61 1fup s ILE 14 Ca 0.27 -0.40 -0.28 0.00 -1.41 0.00 0.00 60.65 58.83 1fup s ILE 14 Cb -0.13 -0.54 -0.05 0.00 0.13 0.00 0.00 42.46 41.86 1fup s ILE 14 CO 0.18 -0.22 0.90 -1.81 -1.91 0.00 0.00 174.94 172.08 1fup s ASP 15 N -1.00 7.40 0.02 4.50 1.01 -1.26 -1.44 116.67 125.90 1fup s ASP 15 Ca -0.11 1.67 0.07 0.00 0.71 0.00 0.00 52.55 54.89 1fup s ASP 15 Cb -0.05 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.31 1fup s ASP 15 CO 0.03 -0.05 -0.21 -0.69 0.21 0.00 0.00 175.17 174.46 1fup s VAL 16 N 0.06 1.65 0.15 -1.27 1.01 -0.01 -4.91 120.40 117.07 1fup s VAL 16 Ca 0.44 -1.07 -0.32 0.00 0.00 0.00 0.00 61.98 61.04 1fup s VAL 16 Cb -0.22 -1.41 -0.12 0.00 0.00 0.00 0.00 36.38 34.63 1fup s VAL 16 CO 0.27 0.31 1.74 -0.81 0.00 0.00 0.00 175.10 176.61 1fup n PRO 17 N 2.15 2.59 -0.24 2.72 -0.04 -1.26 0.14 135.00 141.06 1fup n PRO 17 Ca -0.16 0.94 0.19 0.00 -0.04 0.00 0.00 63.50 64.43 1fup n PRO 17 Cb 0.53 -2.78 0.51 0.00 -0.04 0.00 0.00 33.50 31.72 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 7.32 2.21 0.00 0.55 0.00 -1.21 -0.55 119.26 127.57 1fup h ALA 18 Ca -0.45 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1fup h ALA 18 Cb 1.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1fup h ALA 18 CO 0.94 -0.50 0.00 -0.40 0.00 0.00 0.00 179.25 179.29 1fup n ASP 19 N -4.51 0.00 -4.74 0.00 5.75 -1.26 -4.83 116.55 106.96 1fup n ASP 19 Ca 0.19 -0.96 -0.30 0.00 -0.01 0.00 0.00 54.79 53.71 1fup n ASP 19 Cb 0.70 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.72 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 -2.00 2.73 0.00 0.11 -0.14 -0.22 -5.04 119.74 115.19 1fup s LYS 20 Ca 0.39 -0.77 0.26 0.00 -1.36 0.00 0.00 55.97 54.49 1fup s LYS 20 Cb 0.18 -2.64 0.63 0.00 -1.68 0.00 0.00 37.83 34.32 1fup s LYS 20 CO 0.30 0.55 1.50 1.28 -0.76 0.00 0.00 175.35 178.22 1fup n LEU 21 N 0.46 0.52 -4.80 3.17 4.77 -1.26 -4.90 117.00 114.96 1fup n LEU 21 Ca -0.09 0.01 -0.30 0.00 -0.03 0.00 0.00 56.01 55.60 1fup n LEU 21 Cb 0.52 -0.25 0.19 0.00 -2.33 0.00 0.00 43.42 41.55 1fup n LEU 21 CO 0.42 0.12 0.77 -1.66 -1.33 0.00 0.00 177.39 175.71 1fup s TRP 22 N -2.92 1.38 0.00 -1.77 -2.14 -1.26 -3.77 118.94 108.45 1fup s TRP 22 Ca 0.14 0.45 0.00 0.00 2.66 0.00 0.00 56.10 59.35 1fup s TRP 22 Cb 0.18 -3.80 0.00 0.00 -3.10 0.00 0.00 33.47 26.75 1fup s TRP 22 CO 0.65 -3.00 0.00 0.41 -2.66 0.00 0.00 176.95 172.36 1fup n GLY 23 N -2.64 7.22 0.08 3.67 0.00 -1.26 -4.89 105.19 107.37 1fup n GLY 23 Ca 0.13 -1.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.11 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 1.00 0.11 -0.77 4.61 0.00 -1.86 -2.26 119.26 120.09 1fup h ALA 24 Ca 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1fup h ALA 24 Cb 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1fup h ALA 24 CO 0.00 -0.46 0.32 1.96 0.00 0.00 0.00 179.25 181.07 1fup h GLN 25 N 0.03 1.14 -0.53 0.00 4.20 -1.96 -1.67 115.11 116.32 1fup h GLN 25 Ca 0.06 -0.20 -0.06 0.00 0.06 0.00 0.00 58.65 58.51 1fup h GLN 25 Cb 0.08 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 1fup h GLN 25 CO -0.12 0.92 0.08 1.15 -0.67 0.00 0.00 178.83 180.19 1fup h THR 26 N 1.10 1.24 -0.63 -0.54 2.02 -1.86 -1.83 112.91 112.41 1fup h THR 26 Ca 0.26 -0.92 -0.09 0.00 0.77 0.00 0.00 66.41 66.43 1fup h THR 26 Cb 0.19 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1fup h THR 26 CO -0.02 0.33 0.03 -0.61 0.37 0.00 0.00 175.52 175.62 1fup h GLN 27 N 0.81 1.09 -0.39 6.66 5.75 -0.97 -1.21 115.11 126.84 1fup h GLN 27 Ca 0.17 -0.33 -0.06 0.00 -0.15 0.00 0.00 58.65 58.28 1fup h GLN 27 Cb 0.37 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.80 1fup h GLN 27 CO 0.01 1.04 0.02 0.00 -2.65 0.00 0.00 178.83 177.24 1fup h ARG 28 N 1.00 0.68 -0.67 1.69 3.08 -0.95 -2.43 114.38 116.78 1fup h ARG 28 Ca 0.18 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 1fup h ARG 28 Cb 0.53 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 1fup h ARG 28 CO 0.03 0.76 0.27 0.77 -1.07 0.00 0.00 179.97 180.73 1fup h SER 29 N 0.51 0.92 -0.79 7.04 0.02 -1.23 -0.58 113.55 119.45 1fup h SER 29 Ca 0.11 -0.17 0.05 0.00 -0.84 0.00 0.00 61.79 60.94 1fup h SER 29 Cb 0.44 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.70 1fup h SER 29 CO 0.02 0.84 0.52 0.25 -1.14 0.00 0.00 176.83 177.32 1fup h LEU 30 N 0.95 0.79 0.00 5.07 5.85 -1.07 0.31 115.31 127.21 1fup h LEU 30 Ca 0.22 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1fup h LEU 30 Cb 0.21 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1fup h LEU 30 CO -0.02 0.53 -0.65 -0.33 -0.34 0.00 0.00 178.44 177.64 1fup h GLU 31 N 0.91 0.00 0.00 1.25 5.08 -1.03 -3.37 114.58 117.42 1fup h GLU 31 Ca 0.33 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.60 1fup h GLU 31 Cb 0.13 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1fup h GLU 31 CO -0.10 0.00 -1.95 0.72 -1.00 0.00 0.00 179.01 176.68 1fup n HIS 32 N -2.25 0.16 -2.86 4.33 8.25 -0.26 -4.64 115.22 117.95 1fup n HIS 32 Ca 0.03 0.05 -0.26 0.00 -0.26 0.00 0.00 57.72 57.27 1fup n HIS 32 Cb 0.46 -0.69 -0.03 0.00 1.12 0.00 0.00 29.99 30.85 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 -2.45 3.77 -2.40 4.41 3.72 0.03 -4.94 117.46 119.60 1fup n PHE 33 Ca -0.10 -3.81 -0.43 0.00 -0.05 0.00 0.00 57.45 53.06 1fup n PHE 33 Cb 0.71 -0.41 0.00 0.00 -0.94 0.00 0.00 39.48 38.84 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 -0.27 3.21 -4.03 -1.08 1.74 -1.26 -4.63 116.66 110.33 1fup n ARG 34 Ca 0.32 -3.26 -0.31 0.00 -0.77 0.00 0.00 57.85 53.83 1fup n ARG 34 Cb 0.46 -3.26 -0.16 0.00 -1.02 0.00 0.00 32.46 28.47 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 2.83 1.80 0.00 0.55 1.01 -1.26 -5.08 121.20 121.05 1fup s ILE 35 Ca 0.48 -1.06 0.00 0.00 0.00 0.00 0.00 60.65 60.06 1fup s ILE 35 Cb 0.06 -1.81 0.00 0.00 0.01 0.00 0.00 42.46 40.72 1fup s ILE 35 CO 0.01 0.24 0.00 -0.24 0.00 0.00 0.00 174.94 174.95 1fup n SER 36 N 4.64 -0.59 0.00 3.58 2.88 -1.26 -4.54 113.62 118.33 1fup n SER 36 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1fup n SER 36 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 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 -2.35 2.46 -2.24 -1.26 -5.05 114.28 105.84 1fup n THR 37 Ca 0.00 -0.35 -0.42 0.00 -2.27 0.00 0.00 64.05 61.00 1fup n THR 37 Cb 0.00 1.14 -0.03 0.00 -2.10 0.00 0.00 70.33 69.34 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 -0.37 4.37 0.44 -0.78 8.01 -1.26 -5.01 118.70 124.09 1fup s GLU 38 Ca 0.00 1.83 0.05 0.00 0.01 0.00 0.00 54.97 56.86 1fup s GLU 38 Cb 0.00 -3.41 -0.06 0.00 -4.31 0.00 0.00 34.13 26.35 1fup s GLU 38 CO 0.00 -0.38 0.01 0.15 0.01 0.00 0.00 175.26 175.05 1fup s LYS 39 N 1.53 2.01 0.39 1.61 -0.14 -1.26 -1.28 119.74 122.60 1fup s LYS 39 Ca 0.60 -2.19 -0.28 0.00 -1.36 0.00 0.00 55.97 52.75 1fup s LYS 39 Cb -0.30 -1.54 -0.11 0.00 -1.68 0.00 0.00 37.83 34.20 1fup s LYS 39 CO 0.27 -0.16 1.49 -1.33 -0.76 0.00 0.00 175.35 174.87 1fup n MET 40 N -1.04 2.65 -2.06 1.68 2.81 -1.23 -4.69 117.12 115.25 1fup n MET 40 Ca -0.09 0.93 -0.36 0.00 -1.81 0.00 0.00 57.70 56.37 1fup n MET 40 Cb 0.67 -2.68 0.03 0.00 -0.71 0.00 0.00 33.22 30.53 1fup n MET 40 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 1fup s PRO 41 N -2.15 3.05 0.27 0.03 0.02 -1.26 -4.86 135.00 130.10 1fup s PRO 41 Ca 0.54 1.80 -0.02 0.00 0.02 0.00 0.00 61.00 63.33 1fup s PRO 41 Cb -0.47 -1.95 0.41 0.00 0.02 0.00 0.00 34.50 32.51 1fup s PRO 41 CO 0.63 -1.14 1.89 1.15 -0.33 0.00 0.00 177.00 179.21 1fup h THR 42 N 0.96 1.10 -0.80 0.99 2.02 -2.00 -0.91 112.91 114.27 1fup h THR 42 Ca -0.50 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 66.25 1fup h THR 42 Cb 1.29 -0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.48 1fup h THR 42 CO 0.55 0.22 0.42 0.77 0.37 0.00 0.00 175.52 177.85 1fup h SER 43 N 1.18 1.02 -0.37 4.18 4.64 -1.99 -1.05 113.55 121.15 1fup h SER 43 Ca 0.43 -0.10 -0.14 0.00 -0.47 0.00 0.00 61.79 61.51 1fup h SER 43 Cb 0.15 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1fup h SER 43 CO -0.16 0.83 -0.30 0.25 -0.87 0.00 0.00 176.83 176.57 1fup h LEU 44 N 1.13 0.90 -0.27 5.97 7.12 -1.58 -1.64 115.31 126.95 1fup h LEU 44 Ca 0.28 -0.45 0.02 0.00 0.13 0.00 0.00 57.88 57.86 1fup h LEU 44 Cb 0.06 -0.25 -0.02 0.00 -0.53 0.00 0.00 40.66 39.91 1fup h LEU 44 CO -0.04 1.16 0.13 0.40 -0.13 0.00 0.00 178.44 179.96 1fup h ILE 45 N 0.66 0.99 -0.50 4.05 1.08 -0.88 -0.62 117.51 122.29 1fup h ILE 45 Ca 0.07 -0.09 -0.03 0.00 -0.39 0.00 0.00 64.86 64.41 1fup h ILE 45 Cb 0.88 0.69 -0.02 0.00 -3.07 0.00 0.00 36.82 35.30 1fup h ILE 45 CO 0.08 0.05 0.16 0.45 -0.69 0.00 0.00 178.15 178.20 1fup h HIS 46 N 0.28 0.73 -0.45 1.37 3.86 -1.11 -1.57 115.15 118.26 1fup h HIS 46 Ca 0.11 -0.05 -0.10 0.00 -1.16 0.00 0.00 60.37 59.17 1fup h HIS 46 Cb 0.04 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.27 1fup h HIS 46 CO -0.10 0.60 -0.13 0.00 0.86 0.00 0.00 177.93 179.16 1fup h ALA 47 N 1.47 0.92 -0.48 2.45 0.00 -0.61 -0.16 119.26 122.85 1fup h ALA 47 Ca 0.17 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1fup h ALA 47 Cb 0.20 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1fup h ALA 47 CO -0.01 0.62 -0.01 1.25 0.00 0.00 0.00 179.25 181.10 1fup h LEU 48 N 0.75 0.77 -0.35 0.00 6.46 -0.49 -0.80 115.31 121.64 1fup h LEU 48 Ca 0.12 -0.19 -0.12 0.00 -0.12 0.00 0.00 57.88 57.57 1fup h LEU 48 Cb 0.64 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.36 1fup h LEU 48 CO 0.04 0.84 -0.23 0.00 -0.62 0.00 0.00 178.44 178.47 1fup h ALA 49 N 1.25 0.51 -0.91 1.25 0.00 -0.82 -1.80 119.26 118.73 1fup h ALA 49 Ca 0.14 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1fup h ALA 49 Cb 0.46 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1fup h ALA 49 CO 0.02 0.49 0.55 -0.07 0.00 0.00 0.00 179.25 180.23 1fup h LEU 50 N 0.57 1.10 -0.43 0.00 3.38 -0.72 0.83 115.31 120.04 1fup h LEU 50 Ca 0.07 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1fup h LEU 50 Cb 0.80 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1fup h LEU 50 CO 0.06 0.84 0.19 0.74 0.09 0.00 0.00 178.44 180.37 1fup h THR 51 N 1.25 1.18 -0.30 0.22 2.02 -0.96 -0.93 112.91 115.39 1fup h THR 51 Ca 0.33 -0.54 -0.11 0.00 0.77 0.00 0.00 66.41 66.86 1fup h THR 51 Cb -0.05 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1fup h THR 51 CO -0.06 0.20 -0.26 0.11 0.37 0.00 0.00 175.52 175.88 1fup h LYS 52 N 0.55 0.60 -0.58 6.66 1.79 -0.92 -0.58 116.57 124.08 1fup h LYS 52 Ca 0.15 -0.24 -0.05 0.00 -2.18 0.00 0.00 60.65 58.33 1fup h LYS 52 Cb 0.14 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 1fup h LYS 52 CO -0.02 0.80 0.18 -0.09 -1.08 0.00 0.00 179.45 179.24 1fup h ARG 53 N 0.52 0.91 -0.30 3.15 2.43 -0.54 -1.38 114.38 119.17 1fup h ARG 53 Ca 0.07 -0.20 -0.15 0.00 -0.81 0.00 0.00 59.98 58.89 1fup h ARG 53 Cb 0.72 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1fup h ARG 53 CO 0.06 0.82 -0.42 0.00 -1.51 0.00 0.00 179.97 178.92 1fup h ALA 54 N 1.05 0.45 -0.83 2.80 0.00 -0.98 -2.58 119.26 119.16 1fup h ALA 54 Ca 0.19 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1fup h ALA 54 Cb 0.29 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1fup h ALA 54 CO -0.00 0.57 0.53 0.00 0.00 0.00 0.00 179.25 180.34 1fup h ALA 55 N 0.69 1.36 0.06 0.00 0.00 -0.94 -2.09 119.26 118.33 1fup h ALA 55 Ca 0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1fup h ALA 55 Cb 1.02 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1fup h ALA 55 CO 0.10 0.57 -0.03 0.00 0.00 0.00 0.00 179.25 179.89 1fup h ALA 56 N 1.44 -0.08 -0.21 0.00 0.00 -1.19 -0.43 119.26 118.79 1fup h ALA 56 Ca 0.30 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1fup h ALA 56 Cb -0.09 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 1fup h ALA 56 CO -0.06 -0.38 -0.14 -0.22 0.00 0.00 0.00 179.25 178.45 1fup h LYS 57 N -0.40 -0.13 -0.43 0.00 1.63 -1.24 0.12 116.57 116.12 1fup h LYS 57 Ca -0.01 0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 59.72 1fup h LYS 57 Cb 0.36 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.00 1fup h LYS 57 CO 0.01 -0.09 -0.06 0.28 -3.45 0.00 0.00 179.45 176.14 1fup h VAL 58 N -0.13 1.25 -0.46 2.00 2.07 -1.41 0.44 116.25 120.01 1fup h VAL 58 Ca 0.12 -1.08 -0.05 0.00 0.82 0.00 0.00 66.70 66.51 1fup h VAL 58 Cb 0.32 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1fup h VAL 58 CO -0.30 0.37 0.06 0.78 0.02 0.00 0.00 177.57 178.51 1fup h ASN 59 N 0.69 0.67 -0.05 0.57 -0.26 -0.40 -0.22 115.58 116.58 1fup h ASN 59 Ca 0.13 -0.13 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 1fup h ASN 59 Cb 0.52 -0.17 -0.00 0.00 -1.06 0.00 0.00 38.32 37.60 1fup h ASN 59 CO 0.03 0.70 -0.01 -0.08 -1.06 0.00 0.00 177.43 177.01 1fup h GLU 60 N 0.68 0.09 -0.80 0.81 4.81 -0.11 0.42 114.58 120.49 1fup h GLU 60 Ca 0.15 -0.04 0.12 0.00 -0.13 0.00 0.00 59.36 59.46 1fup h GLU 60 Cb 0.33 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.65 1fup h GLU 60 CO 0.01 0.42 0.52 -0.44 -0.73 0.00 0.00 179.01 178.80 1fup h ASP 61 N -0.24 0.59 -0.32 1.04 3.32 -0.33 0.31 116.42 120.79 1fup h ASP 61 Ca 0.01 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1fup h ASP 61 Cb 0.39 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1fup h ASP 61 CO 0.00 0.33 0.00 0.18 -1.72 0.00 0.00 179.24 178.04 1fup n LEU 62 N -4.51 1.78 -1.63 1.55 4.77 -0.15 -4.90 117.00 113.92 1fup n LEU 62 Ca 0.14 -0.89 -0.18 0.00 -0.03 0.00 0.00 56.01 55.05 1fup n LEU 62 Cb 0.40 -0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.21 1fup n LEU 62 CO 0.32 0.43 -0.19 0.61 -1.33 0.00 0.00 177.39 177.22 1fup n GLY 63 N 0.99 1.08 0.13 -0.72 0.00 0.11 -4.86 105.19 101.92 1fup n GLY 63 Ca 0.11 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.11 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 -8.18 0.99 3.38 -0.34 -3.46 115.31 107.70 1fup h LEU 64 Ca -0.39 -0.03 -0.46 0.00 0.09 0.00 0.00 57.88 57.08 1fup h LEU 64 Cb 1.24 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.70 1fup h LEU 64 CO 0.54 0.02 -0.80 -0.76 0.09 0.00 0.00 178.44 177.52 1fup s LEU 65 N -5.36 2.04 0.26 1.67 1.43 -0.99 -4.95 118.68 112.78 1fup s LEU 65 Ca 0.03 -0.25 -0.30 0.00 -1.03 0.00 0.00 54.13 52.58 1fup s LEU 65 Cb 0.09 -0.66 -0.10 0.00 0.03 0.00 0.00 46.19 45.56 1fup s LEU 65 CO 0.74 0.15 1.37 -0.94 0.23 0.00 0.00 176.35 177.90 1fup s SER 66 N -0.38 6.75 0.28 2.29 1.04 -1.26 -4.44 113.70 117.97 1fup s SER 66 Ca 0.05 2.60 -0.01 0.00 0.48 0.00 0.00 55.95 59.07 1fup s SER 66 Cb -0.05 -2.63 0.63 0.00 0.10 0.00 0.00 66.02 64.07 1fup s SER 66 CO -0.00 -0.61 1.65 -0.08 0.98 0.00 0.00 173.24 175.17 1fup h GLU 67 N 4.70 0.19 -0.05 4.02 4.22 -1.98 0.14 114.58 125.82 1fup h GLU 67 Ca -0.46 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 58.96 1fup h GLU 67 Cb 1.22 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1fup h GLU 67 CO 0.74 0.13 0.03 0.93 -2.18 0.00 0.00 179.01 178.66 1fup h GLU 68 N 0.20 0.07 -0.59 1.92 5.08 -1.99 -0.07 114.58 119.19 1fup h GLU 68 Ca 0.51 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.80 1fup h GLU 68 Cb 0.99 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 1fup h GLU 68 CO -0.64 0.12 0.13 -0.22 -1.00 0.00 0.00 179.01 177.39 1fup h LYS 69 N -0.00 0.96 0.07 2.33 1.63 -1.64 -2.20 116.57 117.71 1fup h LYS 69 Ca 0.02 -0.24 -0.00 0.00 -0.85 0.00 0.00 60.65 59.57 1fup h LYS 69 Cb 0.07 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.58 1fup h LYS 69 CO -0.00 0.90 -0.03 0.00 -3.45 0.00 0.00 179.45 176.86 1fup h ALA 70 N 1.03 -0.09 -0.44 5.00 0.00 -0.60 -1.82 119.26 122.34 1fup h ALA 70 Ca 0.18 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1fup h ALA 70 Cb 0.38 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1fup h ALA 70 CO 0.01 -0.48 0.23 0.66 0.00 0.00 0.00 179.25 179.66 1fup h SER 71 N -0.22 0.54 -0.01 0.00 4.64 -0.98 -0.66 113.55 116.86 1fup h SER 71 Ca -0.01 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1fup h SER 71 Cb 0.19 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1fup h SER 71 CO 0.02 0.46 0.00 0.00 -0.87 0.00 0.00 176.83 176.44 1fup h ALA 72 N 1.63 0.02 -0.60 5.18 0.00 -1.12 0.51 119.26 124.88 1fup h ALA 72 Ca 0.16 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1fup h ALA 72 Cb 0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1fup h ALA 72 CO -0.02 -0.38 0.39 0.82 0.00 0.00 0.00 179.25 180.05 1fup h ILE 73 N -0.18 1.12 -0.92 0.00 2.04 -0.96 -0.54 117.51 118.07 1fup h ILE 73 Ca 0.00 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.63 1fup h ILE 73 Cb 0.20 0.28 -0.05 0.00 -0.74 0.00 0.00 36.82 36.51 1fup h ILE 73 CO -0.00 0.14 0.60 -0.09 0.00 0.00 0.00 178.15 178.80 1fup h ARG 74 N 0.78 1.15 -0.17 2.37 2.43 -0.92 -1.22 114.38 118.80 1fup h ARG 74 Ca 0.23 -0.07 -0.16 0.00 -0.81 0.00 0.00 59.98 59.17 1fup h ARG 74 Cb -0.05 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.23 1fup h ARG 74 CO -0.07 0.76 -0.56 0.37 -1.51 0.00 0.00 179.97 178.96 1fup h GLN 75 N 1.18 0.51 -0.62 0.20 4.15 -0.24 -2.60 115.11 117.69 1fup h GLN 75 Ca 0.36 -0.33 -0.10 0.00 0.77 0.00 0.00 58.65 59.36 1fup h GLN 75 Cb -0.04 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 1fup h GLN 75 CO -0.11 0.93 0.01 0.00 -1.93 0.00 0.00 178.83 177.74 1fup h ALA 76 N 1.00 0.84 -0.47 3.38 0.00 -0.60 -2.89 119.26 120.53 1fup h ALA 76 Ca 0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1fup h ALA 76 Cb 1.10 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1fup h ALA 76 CO 0.10 0.68 0.24 0.00 0.00 0.00 0.00 179.25 180.27 1fup h ALA 77 N 1.00 0.60 -0.51 0.00 0.00 -1.13 -2.43 119.26 116.79 1fup h ALA 77 Ca 0.18 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.08 1fup h ALA 77 Cb 0.55 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1fup h ALA 77 CO 0.03 0.14 0.35 -0.44 0.00 0.00 0.00 179.25 179.33 1fup h ASP 78 N 0.61 0.27 -0.14 0.00 3.32 -1.29 0.11 116.42 119.31 1fup h ASP 78 Ca 0.16 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.09 1fup h ASP 78 Cb 0.08 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1fup h ASP 78 CO -0.02 0.16 -0.32 -0.33 -1.72 0.00 0.00 179.24 177.01 1fup h GLU 79 N 0.30 0.64 -0.22 3.56 5.08 -1.24 0.11 114.58 122.80 1fup h GLU 79 Ca 0.24 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1fup h GLU 79 Cb 0.54 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1fup h GLU 79 CO -0.05 0.88 0.02 0.28 -1.00 0.00 0.00 179.01 179.13 1fup h VAL 80 N 0.54 1.24 -0.43 3.13 2.07 -0.65 0.25 116.25 122.39 1fup h VAL 80 Ca 0.06 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 1fup h VAL 80 Cb 0.82 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 1fup h VAL 80 CO 0.07 0.25 0.20 -0.07 0.02 0.00 0.00 177.57 178.04 1fup h LEU 81 N 0.15 0.53 0.00 2.57 3.38 -0.70 -0.58 115.31 120.67 1fup h LEU 81 Ca 0.06 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1fup h LEU 81 Cb 0.36 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1fup h LEU 81 CO 0.01 0.46 0.00 0.00 0.09 0.00 0.00 178.44 178.99 1fup n ALA 82 N -2.47 2.32 -0.88 1.53 0.00 0.34 -4.88 120.51 116.48 1fup n ALA 82 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1fup n ALA 82 Cb 0.12 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 0.79 0.54 0.02 0.00 0.00 -0.22 -4.97 105.19 101.35 1fup n GLY 83 Ca 0.14 -0.84 0.13 0.00 0.00 0.00 0.00 46.02 45.45 1fup n GLY 83 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1fup n GLN 84 N -2.57 0.13 -1.24 1.61 6.02 0.04 -4.15 117.38 117.22 1fup n GLN 84 Ca 0.00 -0.05 0.04 0.00 -0.01 0.00 0.00 57.00 56.99 1fup n GLN 84 Cb 0.05 -1.50 0.08 0.00 1.02 0.00 0.00 30.24 29.88 1fup n GLN 84 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1fup n HIS 85 N -1.39 0.02 0.11 1.08 8.25 -1.26 -4.86 115.22 117.17 1fup n HIS 85 Ca 0.08 -0.82 0.19 0.00 -0.26 0.00 0.00 57.72 56.91 1fup n HIS 85 Cb 0.33 -0.18 0.76 0.00 1.12 0.00 0.00 29.99 32.02 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 1.01 0.00 -0.06 0.41 3.32 -1.89 0.25 116.42 119.47 1fup h ASP 86 Ca -0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1fup h ASP 86 Cb 1.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.17 1fup h ASP 86 CO 0.07 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 176.69 1fup n ASP 87 N -3.91 0.85 -0.73 6.45 5.75 -1.26 -3.87 116.55 119.83 1fup n ASP 87 Ca 0.06 -1.47 0.11 0.00 -0.01 0.00 0.00 54.79 53.48 1fup n ASP 87 Cb 0.50 -0.04 0.33 0.00 -1.03 0.00 0.00 41.12 40.88 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 -0.26 1.97 -3.76 0.11 -0.58 0.08 -4.64 120.64 113.56 1fup n GLU 88 Ca 0.17 -1.45 -0.29 0.00 -0.42 0.00 0.00 57.16 55.17 1fup n GLU 88 Cb 0.22 -1.44 -0.12 0.00 -0.57 0.00 0.00 31.44 29.52 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 -1.76 2.57 -2.63 -0.32 0.08 -1.25 -4.77 117.98 109.90 1fup s PHE 89 Ca 0.34 -2.84 0.26 0.00 0.12 0.00 0.00 56.93 54.81 1fup s PHE 89 Cb 0.19 -2.15 0.78 0.00 -0.57 0.00 0.00 43.02 41.27 1fup s PHE 89 CO 0.29 -0.70 1.59 -0.35 -0.10 0.00 0.00 175.22 175.95 1fup n PRO 90 N 2.82 1.87 -2.18 0.24 -0.04 -1.26 -4.78 135.00 131.67 1fup n PRO 90 Ca 0.15 -1.27 -0.41 0.00 -0.04 0.00 0.00 63.50 61.94 1fup n PRO 90 Cb 0.36 -1.47 -0.03 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.97 4.44 0.66 1.53 1.43 -1.26 -4.99 118.68 118.52 1fup s LEU 91 Ca 0.35 2.59 -0.12 0.00 -1.03 0.00 0.00 54.13 55.92 1fup s LEU 91 Cb 0.21 -3.64 -0.01 0.00 0.03 0.00 0.00 46.19 42.78 1fup s LEU 91 CO 0.32 -0.48 1.06 0.00 0.23 0.00 0.00 176.35 177.48 1fup s ALA 92 N -0.95 2.73 0.30 4.21 0.00 -1.26 -3.52 121.76 123.26 1fup s ALA 92 Ca 0.49 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.60 1fup s ALA 92 Cb -0.38 -3.18 0.46 0.00 0.00 0.00 0.00 23.12 20.01 1fup s ALA 92 CO 0.49 -1.08 1.84 0.82 0.00 0.00 0.00 175.76 177.83 1fup h ILE 93 N -0.41 1.22 -0.13 0.00 1.08 -1.46 -3.34 117.51 114.47 1fup h ILE 93 Ca -0.44 -0.82 -0.70 0.00 -0.39 0.00 0.00 64.86 62.51 1fup h ILE 93 Cb 1.21 0.77 -0.04 0.00 -3.07 0.00 0.00 36.82 35.69 1fup h ILE 93 CO 0.57 0.30 2.96 0.79 -0.69 0.00 0.00 178.15 182.08 1fup n TRP 94 N -4.27 3.64 -2.31 1.37 7.02 -1.26 -4.56 117.44 117.07 1fup n TRP 94 Ca 0.03 -2.91 0.00 0.00 -1.02 0.00 0.00 57.50 53.60 1fup n TRP 94 Cb 0.24 -2.54 0.00 0.00 -2.42 0.00 0.00 31.31 26.59 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 6.48 2.54 -1.86 -0.99 10.64 -1.25 -4.84 117.38 128.10 1fup n GLN 95 Ca 0.51 0.00 -0.41 0.00 -1.83 0.00 0.00 57.00 55.27 1fup n GLN 95 Cb 0.40 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.77 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 1.22 2.25 -0.40 -0.39 -1.32 -1.26 -4.87 115.64 110.86 1fup s THR 96 Ca 0.00 0.22 0.15 0.00 -1.21 0.00 0.00 61.69 60.85 1fup s THR 96 Cb 0.00 -3.14 0.15 0.00 -1.51 0.00 0.00 72.50 68.00 1fup s THR 96 CO 0.00 0.04 1.45 0.61 -2.21 0.00 0.00 174.62 174.51 1fup n GLY 97 N 1.92 -0.74 0.05 6.08 0.00 -1.26 -1.71 105.19 109.53 1fup n GLY 97 Ca 0.07 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.34 1fup n GLY 97 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fup n SER 98 N -2.03 0.65 -0.10 1.61 3.41 -1.26 -2.21 113.62 113.69 1fup n SER 98 Ca -0.01 -0.05 -0.01 0.00 -0.26 0.00 0.00 58.87 58.54 1fup n SER 98 Cb 0.05 0.46 -0.01 0.00 -0.26 0.00 0.00 64.21 64.45 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 1.36 0.48 0.19 5.00 0.00 -0.69 -4.72 105.19 106.80 1fup n GLY 99 Ca 0.03 -1.03 -0.07 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 1.07 -1.00 2.61 2.02 -1.87 -2.19 112.91 113.54 1fup h THR 100 Ca -0.03 -0.19 0.03 0.00 0.77 0.00 0.00 66.41 66.99 1fup h THR 100 Cb 0.09 0.48 -0.06 0.00 -1.74 0.00 0.00 68.15 66.92 1fup h THR 100 CO 0.04 0.10 0.66 1.56 0.37 0.00 0.00 175.52 178.25 1fup h GLN 101 N 0.54 1.26 0.00 6.66 4.20 -1.92 -0.01 115.11 125.84 1fup h GLN 101 Ca 0.17 -0.08 -0.12 0.00 0.06 0.00 0.00 58.65 58.68 1fup h GLN 101 Cb -0.02 -0.28 -0.02 0.00 0.30 0.00 0.00 27.48 27.46 1fup h GLN 101 CO -0.06 0.84 -0.58 0.77 -0.67 0.00 0.00 178.83 179.12 1fup h SER 102 N 1.30 0.00 -0.27 1.46 0.02 -1.92 -0.97 113.55 113.17 1fup h SER 102 Ca 0.39 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.29 1fup h SER 102 Cb -0.06 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1fup h SER 102 CO -0.11 0.58 -0.00 -1.13 -1.14 0.00 0.00 176.83 175.03 1fup h ASN 103 N 0.00 0.47 -0.35 3.07 -1.24 -0.63 -2.11 115.58 114.78 1fup h ASN 103 Ca -0.01 -0.31 -0.03 0.00 0.71 0.00 0.00 56.30 56.66 1fup h ASN 103 Cb 1.14 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 40.05 1fup h ASN 103 CO 0.08 0.67 0.12 0.24 -1.29 0.00 0.00 177.43 177.24 1fup h MET 104 N 0.26 0.61 -0.39 6.67 2.86 -0.85 -0.69 114.93 123.40 1fup h MET 104 Ca 0.08 -0.10 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1fup h MET 104 Cb 0.43 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 1fup h MET 104 CO 0.01 0.55 0.24 -0.97 1.06 0.00 0.00 176.91 177.80 1fup h ASN 105 N 0.60 0.40 -0.01 1.22 -0.73 -0.90 0.17 115.58 116.34 1fup h ASN 105 Ca 0.14 -0.00 -0.12 0.00 1.87 0.00 0.00 56.30 58.19 1fup h ASN 105 Cb 0.20 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 38.69 1fup h ASN 105 CO -0.01 0.29 -0.38 -0.03 -0.37 0.00 0.00 177.43 176.94 1fup h MET 106 N 0.49 0.51 -0.24 6.67 4.05 -0.86 -1.66 114.93 123.89 1fup h MET 106 Ca 0.15 -0.25 -0.03 0.00 -0.28 0.00 0.00 59.70 59.30 1fup h MET 106 Cb -0.02 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.77 1fup h MET 106 CO -0.06 0.81 0.04 -0.91 0.23 0.00 0.00 176.91 177.02 1fup h ASN 107 N 0.43 0.38 -0.22 1.39 2.35 -0.39 -0.51 115.58 119.01 1fup h ASN 107 Ca 0.04 -0.26 -0.03 0.00 -0.55 0.00 0.00 56.30 55.50 1fup h ASN 107 Cb 0.85 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.11 1fup h ASN 107 CO 0.07 0.54 0.02 -0.33 -1.65 0.00 0.00 177.43 176.09 1fup h GLU 108 N 0.19 0.37 -0.31 0.81 5.08 -0.60 0.15 114.58 120.26 1fup h GLU 108 Ca 0.07 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1fup h GLU 108 Cb 0.33 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1fup h GLU 108 CO 0.01 0.53 0.15 0.28 -1.00 0.00 0.00 179.01 178.97 1fup h VAL 109 N 0.15 1.15 -0.50 3.13 2.07 -1.31 -0.77 116.25 120.17 1fup h VAL 109 Ca 0.06 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 67.09 1fup h VAL 109 Cb 0.35 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1fup h VAL 109 CO 0.01 0.16 0.05 -0.07 0.02 0.00 0.00 177.57 177.73 1fup h LEU 110 N 0.37 0.76 0.28 2.57 4.07 -1.02 -1.60 115.31 120.74 1fup h LEU 110 Ca 0.11 -0.17 -0.01 0.00 0.08 0.00 0.00 57.88 57.89 1fup h LEU 110 Cb 0.11 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.65 1fup h LEU 110 CO -0.01 0.80 -0.13 0.00 -1.08 0.00 0.00 178.44 178.01 1fup h ALA 111 N 1.29 -0.37 -0.81 1.53 0.00 -0.68 -0.59 119.26 119.64 1fup h ALA 111 Ca 0.16 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.99 1fup h ALA 111 Cb 0.39 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 1fup h ALA 111 CO 0.01 -0.50 0.53 -0.91 0.00 0.00 0.00 179.25 178.38 1fup h ASN 112 N -0.79 0.61 0.14 0.00 2.35 -1.12 0.02 115.58 116.79 1fup h ASN 112 Ca -0.04 0.02 -0.27 0.00 -0.55 0.00 0.00 56.30 55.47 1fup h ASN 112 Cb 0.51 -0.10 0.03 0.00 0.05 0.00 0.00 38.32 38.80 1fup h ASN 112 CO 0.06 0.35 -1.14 -0.09 -1.65 0.00 0.00 177.43 174.96 1fup h ARG 113 N 0.67 0.51 -0.43 0.81 9.65 -1.29 -3.09 114.38 121.21 1fup h ARG 113 Ca 0.38 -0.75 -0.04 0.00 -1.10 0.00 0.00 59.98 58.48 1fup h ARG 113 Cb 0.57 0.26 -0.02 0.00 -1.39 0.00 0.00 29.97 29.38 1fup h ARG 113 CO -0.15 1.34 0.10 0.00 2.80 0.00 0.00 179.97 184.06 1fup h ALA 114 N 0.21 1.37 0.39 2.80 0.00 -0.63 -1.35 119.26 122.05 1fup h ALA 114 Ca -0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1fup h ALA 114 Cb 1.85 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1fup h ALA 114 CO 0.22 0.45 -0.25 1.03 0.00 0.00 0.00 179.25 180.70 1fup h SER 115 N 0.63 -0.64 -0.63 0.00 0.87 -1.06 -1.44 113.55 111.28 1fup h SER 115 Ca 0.14 0.04 0.08 0.00 -1.23 0.00 0.00 61.79 60.83 1fup h SER 115 Cb 0.24 0.19 -0.07 0.00 -0.44 0.00 0.00 62.40 62.33 1fup h SER 115 CO -0.00 -0.40 0.29 -0.33 -0.53 0.00 0.00 176.83 175.86 1fup h GLU 116 N -0.62 0.51 -0.04 2.24 5.08 -1.38 0.13 114.58 120.49 1fup h GLU 116 Ca -0.04 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1fup h GLU 116 Cb 0.52 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1fup h GLU 116 CO 0.03 0.34 0.06 -0.07 -1.00 0.00 0.00 179.01 178.37 1fup h LEU 117 N 0.52 0.00 -2.82 1.33 4.07 -0.78 0.17 115.31 117.80 1fup h LEU 117 Ca 0.31 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.27 1fup h LEU 117 Cb 0.31 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.05 1fup h LEU 117 CO -0.25 0.00 0.00 0.18 -1.08 0.00 0.00 178.44 177.29 1fup n LEU 118 N -3.54 4.38 0.00 1.67 4.77 0.19 -4.87 117.00 119.60 1fup n LEU 118 Ca -0.02 -2.22 0.00 0.00 -0.03 0.00 0.00 56.01 53.74 1fup n LEU 118 Cb 0.15 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1fup n LEU 118 CO 0.24 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1fup n GLY 119 N 0.72 0.99 0.00 -0.72 0.00 0.58 -5.02 105.19 101.74 1fup n GLY 119 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.00 -0.30 3.40 -0.02 0.00 0.20 -4.94 105.19 101.53 1fup n GLY 120 Ca 0.00 -1.78 -0.22 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.29 2.13 0.54 1.61 0.11 -1.26 -3.77 120.40 119.47 1fup s VAL 121 Ca 0.00 -2.23 -0.10 0.00 -2.93 0.00 0.00 61.98 56.73 1fup s VAL 121 Cb 0.00 -2.13 -0.05 0.00 -1.53 0.00 0.00 36.38 32.68 1fup s VAL 121 CO 0.00 -0.41 0.92 0.00 -3.33 0.00 0.00 175.10 172.27 1fup s ARG 122 N -3.34 3.64 0.00 1.54 1.70 -1.26 -3.94 118.95 117.29 1fup s ARG 122 Ca 0.24 0.56 0.00 0.00 -0.47 0.00 0.00 55.73 56.07 1fup s ARG 122 Cb -0.04 -2.22 0.00 0.00 -0.57 0.00 0.00 34.95 32.12 1fup s ARG 122 CO 0.11 -0.36 0.00 0.41 -1.08 0.00 0.00 175.30 174.37 1fup n GLY 123 N -2.31 -0.68 0.19 3.88 0.00 -1.26 -4.66 105.19 100.35 1fup n GLY 123 Ca 0.04 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.89 1fup n GLY 123 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1fup n MET 124 N 0.00 0.55 -2.09 1.61 2.81 -1.26 -2.21 117.12 116.53 1fup n MET 124 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1fup n MET 124 Cb 0.00 -1.10 0.05 0.00 -0.71 0.00 0.00 33.22 31.45 1fup n MET 124 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 1fup n GLU 125 N -0.23 1.11 -2.65 0.03 0.28 -1.26 -5.10 120.64 112.83 1fup n GLU 125 Ca 0.00 -2.90 -0.34 0.00 -0.16 0.00 0.00 57.16 53.76 1fup n GLU 125 Cb 0.05 -0.97 -0.05 0.00 1.43 0.00 0.00 31.44 31.90 1fup n GLU 125 CO 0.00 0.00 0.00 -0.98 -0.16 0.00 0.00 177.13 175.99 1fup s ARG 126 N -2.15 4.01 0.17 3.44 1.70 -0.94 -4.58 118.95 120.59 1fup s ARG 126 Ca 0.32 1.29 0.01 0.00 -0.47 0.00 0.00 55.73 56.89 1fup s ARG 126 Cb 0.36 -2.19 0.03 0.00 -0.57 0.00 0.00 34.95 32.58 1fup s ARG 126 CO -0.09 -0.24 1.40 0.87 -1.08 0.00 0.00 175.30 176.16 1fup h LYS 127 N 1.83 0.27 -5.73 3.89 1.57 -1.86 -3.44 116.57 113.10 1fup h LYS 127 Ca -0.49 -0.26 -0.66 0.00 -1.87 0.00 0.00 60.65 57.36 1fup h LYS 127 Cb 1.21 0.07 -0.14 0.00 0.08 0.00 0.00 32.23 33.44 1fup h LYS 127 CO 0.60 0.95 -0.58 0.08 -0.57 0.00 0.00 179.45 179.93 1fup s VAL 128 N -3.37 4.63 -0.10 0.50 1.01 -1.26 -5.01 120.40 116.80 1fup s VAL 128 Ca -0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 61.98 61.80 1fup s VAL 128 Cb 0.10 -2.99 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 1fup s VAL 128 CO 0.83 0.57 -0.01 -1.00 0.00 0.00 0.00 175.10 175.49 1fup s HIS 129 N -0.60 3.11 0.07 5.22 3.76 -1.26 -4.61 115.29 120.98 1fup s HIS 129 Ca 0.11 0.10 -0.26 0.00 -0.15 0.00 0.00 55.06 54.86 1fup s HIS 129 Cb -0.12 -1.81 -0.12 0.00 1.11 0.00 0.00 32.58 31.64 1fup s HIS 129 CO 0.02 0.37 1.40 -1.35 -0.85 0.00 0.00 174.74 174.34 1fup h PRO 130 N 5.44 -0.66 0.28 8.40 0.11 -1.93 -1.66 132.00 141.98 1fup h PRO 130 Ca -0.47 0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 1fup h PRO 130 Cb 1.19 0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1fup h PRO 130 CO 0.56 -0.44 -0.13 -0.97 -0.21 0.00 0.00 178.00 176.81 1fup h ASN 131 N -0.68 -0.32 -0.80 -2.05 -1.24 -1.95 -1.14 115.58 107.40 1fup h ASN 131 Ca -0.03 0.01 0.12 0.00 0.71 0.00 0.00 56.30 57.11 1fup h ASN 131 Cb 0.61 0.08 -0.06 0.00 0.73 0.00 0.00 38.32 39.69 1fup h ASN 131 CO -0.10 0.12 0.52 0.44 -1.29 0.00 0.00 177.43 177.13 1fup h ASP 132 N -1.07 0.58 0.00 1.15 3.32 -1.93 -2.89 116.42 115.58 1fup h ASP 132 Ca -0.04 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1fup h ASP 132 Cb 0.29 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1fup h ASP 132 CO 0.06 0.32 -0.67 0.47 -1.72 0.00 0.00 179.24 177.71 1fup n ASP 133 N -4.51 1.57 0.04 6.45 8.00 -0.69 -4.33 116.55 123.08 1fup n ASP 133 Ca 0.14 0.25 -0.01 0.00 0.71 0.00 0.00 54.79 55.89 1fup n ASP 133 Cb 0.41 -0.61 0.28 0.00 -0.02 0.00 0.00 41.12 41.18 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 -0.67 1.22 -0.57 2.53 2.07 -1.04 -2.63 116.25 117.17 1fup h VAL 134 Ca 0.00 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1fup h VAL 134 Cb 0.67 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1fup h VAL 134 CO 0.00 0.32 0.00 -3.20 0.02 0.00 0.00 177.57 174.71 1fup n ASN 135 N -4.21 5.00 -4.73 0.57 5.15 -0.46 -4.92 115.26 111.66 1fup n ASN 135 Ca 0.00 -2.67 -0.42 0.00 -0.60 0.00 0.00 54.58 50.89 1fup n ASN 135 Cb 0.32 -0.63 -0.02 0.00 -0.53 0.00 0.00 39.78 38.92 1fup n ASN 135 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1fup n LYS 136 N 0.78 2.77 -1.03 1.20 4.81 -0.99 -2.10 118.16 123.60 1fup n LYS 136 Ca 0.25 1.00 -0.01 0.00 -0.87 0.00 0.00 58.31 58.68 1fup n LYS 136 Cb 1.01 -2.82 -0.00 0.00 0.02 0.00 0.00 35.03 33.23 1fup n LYS 136 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1fup n SER 137 N 3.33 -4.77 -4.74 3.14 7.64 -1.26 -4.96 113.62 111.99 1fup n SER 137 Ca 0.13 0.03 -0.33 0.00 1.01 0.00 0.00 58.87 59.71 1fup n SER 137 Cb 0.36 -2.36 -0.07 0.00 -1.01 0.00 0.00 64.21 61.12 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 -1.35 2.21 -0.01 1.43 -0.21 -0.89 -4.88 119.66 115.97 1fup s GLN 138 Ca 0.00 -2.43 -0.14 0.00 0.02 0.00 0.00 55.36 52.81 1fup s GLN 138 Cb 0.00 -1.47 0.02 0.00 1.00 0.00 0.00 33.01 32.56 1fup s GLN 138 CO 0.00 -0.40 0.29 0.45 -2.12 0.00 0.00 175.29 173.51 1fup s SER 139 N -3.88 -0.16 0.35 5.90 0.15 -1.26 -4.96 113.70 109.83 1fup s SER 139 Ca 0.03 0.03 0.05 0.00 0.70 0.00 0.00 55.95 56.76 1fup s SER 139 Cb 0.01 0.31 0.65 0.00 -1.71 0.00 0.00 66.02 65.28 1fup s SER 139 CO 0.02 -0.46 1.92 0.28 1.20 0.00 0.00 173.24 176.19 1fup h SER 140 N 3.82 0.50 -0.55 5.45 0.02 -1.95 -0.93 113.55 119.91 1fup h SER 140 Ca -0.30 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1fup h SER 140 Cb 1.18 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.56 1fup h SER 140 CO 0.41 0.52 0.35 0.78 -1.14 0.00 0.00 176.83 177.74 1fup h ASN 141 N 0.53 0.65 0.00 3.07 4.21 -1.87 -2.67 115.58 119.51 1fup h ASN 141 Ca 0.12 -0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.60 1fup h ASN 141 Cb 0.24 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 37.27 1fup h ASN 141 CO -0.00 0.49 -1.17 -0.90 -1.29 0.00 0.00 177.43 174.56 1fup n ASP 142 N -4.43 0.91 -0.04 5.81 5.75 -1.02 -4.41 116.55 119.12 1fup n ASP 142 Ca 0.05 -0.54 -0.15 0.00 -0.01 0.00 0.00 54.79 54.15 1fup n ASP 142 Cb 0.06 1.31 -0.12 0.00 -1.03 0.00 0.00 41.12 41.34 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 1.62 -0.24 2.12 2.07 -1.02 -3.13 116.25 117.68 1fup h VAL 143 Ca 0.00 -2.00 0.00 0.00 0.82 0.00 0.00 66.70 65.52 1fup h VAL 143 Cb 0.54 2.94 -0.01 0.00 -1.52 0.00 0.00 31.29 33.24 1fup h VAL 143 CO 0.00 0.53 0.16 0.15 0.02 0.00 0.00 177.57 178.43 1fup h PHE 144 N -0.70 0.30 -0.98 1.57 3.57 -1.73 -0.49 116.94 118.49 1fup h PHE 144 Ca -0.02 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.55 1fup h PHE 144 Cb 0.94 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.52 1fup h PHE 144 CO 0.21 0.19 0.63 -1.35 -2.23 0.00 0.00 178.31 175.76 1fup h PRO 145 N 0.32 1.12 -0.37 6.41 0.11 -1.77 0.25 132.00 138.07 1fup h PRO 145 Ca 0.09 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.11 1fup h PRO 145 Cb -0.03 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 30.81 1fup h PRO 145 CO -0.02 0.74 0.13 1.15 -0.21 0.00 0.00 178.00 179.79 1fup h THR 146 N 1.15 1.20 -0.76 -1.15 2.02 -1.36 -2.33 112.91 111.69 1fup h THR 146 Ca 0.41 -0.64 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 1fup h THR 146 Cb 0.15 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 1fup h THR 146 CO -0.16 0.23 0.38 0.00 0.37 0.00 0.00 175.52 176.34 1fup h ALA 147 N 0.97 1.24 -0.40 6.16 0.00 -0.41 -1.40 119.26 125.42 1fup h ALA 147 Ca 0.12 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1fup h ALA 147 Cb 0.22 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1fup h ALA 147 CO -0.01 0.59 0.17 0.52 0.00 0.00 0.00 179.25 180.52 1fup h MET 148 N 1.07 0.34 -0.12 0.00 2.86 -0.57 -0.95 114.93 117.56 1fup h MET 148 Ca 0.26 -0.02 -0.17 0.00 -2.06 0.00 0.00 59.70 57.72 1fup h MET 148 Cb 0.08 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1fup h MET 148 CO -0.04 0.23 -0.62 0.45 1.06 0.00 0.00 176.91 177.99 1fup h HIS 149 N 0.35 0.57 -0.01 -0.22 3.86 -0.99 -0.50 115.15 118.21 1fup h HIS 149 Ca 0.18 -0.22 -0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1fup h HIS 149 Cb 0.13 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 28.50 1fup h HIS 149 CO -0.12 0.94 0.01 0.28 0.86 0.00 0.00 177.93 179.90 1fup h VAL 150 N 0.32 1.10 -0.21 2.45 2.07 -0.97 0.55 116.25 121.56 1fup h VAL 150 Ca -0.01 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1fup h VAL 150 Cb 1.17 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 1fup h VAL 150 CO 0.11 0.08 0.12 0.00 0.02 0.00 0.00 177.57 177.90 1fup h ALA 151 N 0.88 0.27 0.24 1.67 0.00 -1.15 -1.81 119.26 119.36 1fup h ALA 151 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1fup h ALA 151 Cb 0.13 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1fup h ALA 151 CO -0.00 -0.21 -0.14 0.00 0.00 0.00 0.00 179.25 178.90 1fup h ALA 152 N 1.02 -0.35 -0.43 0.00 0.00 -0.98 -1.32 119.26 117.19 1fup h ALA 152 Ca 0.07 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1fup h ALA 152 Cb 0.04 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1fup h ALA 152 CO -0.01 -0.70 0.26 1.25 0.00 0.00 0.00 179.25 180.05 1fup h LEU 153 N -0.36 0.52 -0.74 0.00 5.85 -0.86 -1.82 115.31 117.90 1fup h LEU 153 Ca -0.03 -0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.55 1fup h LEU 153 Cb 0.29 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1fup h LEU 153 CO 0.04 0.42 0.02 -0.07 -0.34 0.00 0.00 178.44 178.51 1fup h LEU 154 N 0.57 0.95 -0.71 2.25 3.38 -1.27 -1.43 115.31 119.05 1fup h LEU 154 Ca 0.16 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 1fup h LEU 154 Cb -0.00 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1fup h LEU 154 CO -0.03 1.00 -0.03 0.00 0.09 0.00 0.00 178.44 179.47 1fup h ALA 155 N 1.10 0.91 -0.28 1.53 0.00 -1.04 0.96 119.26 122.44 1fup h ALA 155 Ca 0.17 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1fup h ALA 155 Cb 0.50 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1fup h ALA 155 CO 0.02 0.64 -0.06 -0.07 0.00 0.00 0.00 179.25 179.79 1fup h LEU 156 N 0.88 0.54 -0.16 0.00 3.38 -1.13 -1.14 115.31 117.68 1fup h LEU 156 Ca 0.16 -0.36 -0.23 0.00 0.09 0.00 0.00 57.88 57.54 1fup h LEU 156 Cb 0.56 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1fup h LEU 156 CO 0.03 0.77 -0.95 0.03 0.09 0.00 0.00 178.44 178.41 1fup h ARG 157 N 0.30 0.39 0.00 1.13 3.08 -1.16 -0.97 114.38 117.16 1fup h ARG 157 Ca 0.07 -0.43 -0.11 0.00 0.07 0.00 0.00 59.98 59.58 1fup h ARG 157 Cb 0.53 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 1fup h ARG 157 CO 0.03 1.10 -2.06 1.63 -1.07 0.00 0.00 179.97 179.60 1fup n LYS 158 N -3.73 0.67 -0.02 0.04 5.02 0.32 -4.46 118.16 116.00 1fup n LYS 158 Ca -0.07 -0.12 -0.03 0.00 -2.02 0.00 0.00 58.31 56.08 1fup n LYS 158 Cb 0.84 -1.54 -0.01 0.00 -0.02 0.00 0.00 35.03 34.30 1fup n LYS 158 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1fup n GLN 159 N -2.44 0.16 0.14 1.97 3.00 -0.50 -4.74 117.38 114.97 1fup n GLN 159 Ca -0.13 0.06 -0.08 0.00 -0.01 0.00 0.00 57.00 56.84 1fup n GLN 159 Cb 0.75 -0.67 -0.04 0.00 0.00 0.00 0.00 30.24 30.28 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 -0.29 -0.61 -0.42 1.08 7.12 -1.40 -3.10 115.31 117.68 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 0.29 0.20 -0.08 0.00 -0.53 0.00 0.00 40.66 40.54 1fup h LEU 160 CO 0.00 -0.30 -0.10 0.40 -0.13 0.00 0.00 178.44 178.30 1fup h ILE 161 N -0.47 0.58 -0.97 4.05 2.04 -1.42 -1.89 117.51 119.43 1fup h ILE 161 Ca -0.03 -0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.88 1fup h ILE 161 Cb 0.40 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 36.99 1fup h ILE 161 CO -0.01 0.00 0.63 -0.65 0.00 0.00 0.00 178.15 178.12 1fup h PRO 162 N 0.00 1.15 -0.43 2.37 0.11 -1.78 -0.89 132.00 132.54 1fup h PRO 162 Ca 0.20 -0.07 -0.10 0.00 0.11 0.00 0.00 66.00 66.14 1fup h PRO 162 Cb 0.31 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 31.14 1fup h PRO 162 CO -0.43 0.76 -0.14 1.96 -0.21 0.00 0.00 178.00 179.94 1fup h GLN 163 N 1.19 0.79 -0.15 1.05 1.08 -1.36 -1.96 115.11 115.75 1fup h GLN 163 Ca 0.40 -0.28 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 1fup h GLN 163 Cb 0.08 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 1fup h GLN 163 CO -0.15 0.89 0.06 1.25 -0.95 0.00 0.00 178.83 179.93 1fup h LEU 164 N 0.71 0.21 -1.03 1.46 5.85 -0.72 -1.84 115.31 119.95 1fup h LEU 164 Ca 0.11 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.69 1fup h LEU 164 Cb 0.63 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.55 1fup h LEU 164 CO 0.04 0.32 0.65 0.11 -0.34 0.00 0.00 178.44 179.22 1fup h LYS 165 N 0.09 1.27 -0.29 1.25 1.57 -1.04 -1.44 116.57 117.98 1fup h LYS 165 Ca 0.05 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1fup h LYS 165 Cb 0.17 -0.29 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1fup h LYS 165 CO -0.00 0.84 0.07 1.15 -0.57 0.00 0.00 179.45 180.94 1fup h THR 166 N 1.31 1.22 -0.59 -0.16 2.02 -1.10 -1.24 112.91 114.35 1fup h THR 166 Ca 0.37 -0.72 -0.03 0.00 0.77 0.00 0.00 66.41 66.80 1fup h THR 166 Cb -0.11 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 1fup h THR 166 CO -0.09 0.24 0.24 0.25 0.37 0.00 0.00 175.52 176.53 1fup h LEU 167 N 0.30 0.81 -0.54 2.58 5.85 -1.10 -1.93 115.31 121.29 1fup h LEU 167 Ca 0.09 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.69 1fup h LEU 167 Cb 0.29 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 1fup h LEU 167 CO 0.00 0.75 0.29 0.74 -0.34 0.00 0.00 178.44 179.88 1fup h THR 168 N 0.82 0.97 -0.28 1.05 2.02 -1.11 -0.77 112.91 115.61 1fup h THR 168 Ca 0.20 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 1fup h THR 168 Cb 0.19 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1fup h THR 168 CO -0.02 0.10 0.17 -0.61 0.37 0.00 0.00 175.52 175.53 1fup h GLN 169 N 0.55 0.38 0.10 6.66 4.15 -0.90 -0.16 115.11 125.89 1fup h GLN 169 Ca 0.24 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.63 1fup h GLN 169 Cb 0.13 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 1fup h GLN 169 CO -0.15 0.30 -0.15 1.15 -1.93 0.00 0.00 178.83 178.05 1fup h THR 170 N 0.36 0.66 -0.61 2.39 2.02 -0.78 -1.03 112.91 115.92 1fup h THR 170 Ca 0.10 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.30 1fup h THR 170 Cb 0.01 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 1fup h THR 170 CO -0.02 0.00 0.41 -0.07 0.37 0.00 0.00 175.52 176.21 1fup h LEU 171 N -0.29 0.68 -0.78 2.58 4.07 -1.00 -1.26 115.31 119.29 1fup h LEU 171 Ca 0.02 -0.01 -0.07 0.00 0.08 0.00 0.00 57.88 57.90 1fup h LEU 171 Cb 0.30 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 41.85 1fup h LEU 171 CO -0.07 0.48 0.16 -1.13 -1.08 0.00 0.00 178.44 176.80 1fup h ASN 172 N 0.80 1.02 -0.58 -0.43 -0.00 -0.41 0.56 115.58 116.53 1fup h ASN 172 Ca 0.23 -0.21 -0.06 0.00 -0.00 0.00 0.00 56.30 56.26 1fup h ASN 172 Cb -0.03 -0.27 -0.02 0.00 -0.00 0.00 0.00 38.32 37.99 1fup h ASN 172 CO -0.06 0.98 0.12 -0.33 -0.00 0.00 0.00 177.43 178.14 1fup h GLU 173 N 1.03 0.95 -0.44 6.67 5.08 -0.12 -2.05 114.58 125.70 1fup h GLU 173 Ca 0.22 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1fup h GLU 173 Cb 0.36 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1fup h GLU 173 CO 0.00 0.89 0.02 0.87 -1.00 0.00 0.00 179.01 179.80 1fup h LYS 174 N 0.85 0.70 -0.03 2.33 1.79 -0.79 -1.94 116.57 119.49 1fup h LYS 174 Ca 0.18 -0.17 -0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1fup h LYS 174 Cb 0.39 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1fup h LYS 174 CO 0.01 0.70 0.02 1.03 -1.08 0.00 0.00 179.45 180.12 1fup h SER 175 N 0.67 0.03 -0.64 0.86 0.87 -0.47 -1.96 113.55 112.90 1fup h SER 175 Ca 0.14 -0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.59 1fup h SER 175 Cb 0.38 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.30 1fup h SER 175 CO 0.01 0.07 0.18 0.03 -0.53 0.00 0.00 176.83 176.60 1fup h ARG 176 N -0.01 1.03 -0.61 2.24 3.08 -1.21 -2.84 114.38 116.06 1fup h ARG 176 Ca 0.01 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 59.77 1fup h ARG 176 Cb 0.05 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 1fup h ARG 176 CO -0.00 0.90 0.11 0.00 -1.07 0.00 0.00 179.97 179.91 1fup h ALA 177 N 1.20 1.03 -0.64 0.04 0.00 -1.14 -3.05 119.26 116.71 1fup h ALA 177 Ca 0.21 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1fup h ALA 177 Cb 0.32 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 17.78 1fup h ALA 177 CO -0.00 0.62 0.17 1.19 0.00 0.00 0.00 179.25 181.22 1fup n PHE 178 N -4.23 2.16 0.15 0.00 3.72 -0.76 -4.62 117.46 113.88 1fup n PHE 178 Ca 0.04 -1.08 0.07 0.00 -0.05 0.00 0.00 57.45 56.43 1fup n PHE 178 Cb 0.27 -0.60 0.55 0.00 -0.94 0.00 0.00 39.48 38.76 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 2.82 1.90 -0.01 4.37 0.00 -1.39 -1.92 119.26 125.03 1fup h ALA 179 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1fup h ALA 179 Cb 2.14 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.86 1fup h ALA 179 CO 0.62 0.09 -0.36 -0.40 0.00 0.00 0.00 179.25 179.19 1fup n ASP 180 N -4.51 1.12 -4.56 0.00 5.75 -1.26 -4.67 116.55 108.41 1fup n ASP 180 Ca -0.00 -0.91 -0.43 0.00 -0.01 0.00 0.00 54.79 53.44 1fup n ASP 180 Cb 0.10 0.25 -0.03 0.00 -1.03 0.00 0.00 41.12 40.40 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 -2.59 4.23 -0.04 2.12 1.01 -0.85 -5.00 121.20 120.08 1fup s ILE 181 Ca 0.21 0.76 -0.25 0.00 0.00 0.00 0.00 60.65 61.37 1fup s ILE 181 Cb 0.19 -4.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.01 1fup s ILE 181 CO 0.57 -1.14 0.75 -0.69 0.00 0.00 0.00 174.94 174.43 1fup s VAL 182 N 4.39 4.99 0.22 2.92 1.01 -1.26 -0.15 120.40 132.51 1fup s VAL 182 Ca 0.39 1.56 0.01 0.00 0.00 0.00 0.00 61.98 63.94 1fup s VAL 182 Cb -0.09 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 1fup s VAL 182 CO 0.25 0.25 0.06 -1.59 0.00 0.00 0.00 175.10 174.07 1fup s LYS 183 N 0.74 1.28 0.01 2.72 -2.85 0.49 -4.82 119.74 117.31 1fup s LYS 183 Ca 0.40 -1.67 -0.30 0.00 -1.00 0.00 0.00 55.97 53.40 1fup s LYS 183 Cb -0.18 -0.24 -0.03 0.00 -2.06 0.00 0.00 37.83 35.31 1fup s LYS 183 CO 0.20 -0.23 0.98 -1.50 0.10 0.00 0.00 175.35 174.90 1fup s ILE 184 N -3.73 4.83 0.72 3.79 1.10 -1.26 -1.09 121.20 125.55 1fup s ILE 184 Ca 0.32 2.05 -0.11 0.00 -0.51 0.00 0.00 60.65 62.40 1fup s ILE 184 Cb 0.07 -4.31 0.02 0.00 0.15 0.00 0.00 42.46 38.39 1fup s ILE 184 CO 0.10 0.16 1.08 -0.83 -2.11 0.00 0.00 174.94 173.34 1fup s GLY 185 N 0.97 1.64 -0.07 1.50 0.00 -1.04 -4.84 107.32 105.47 1fup s GLY 185 Ca 0.52 -0.22 -0.03 0.00 0.00 0.00 0.00 44.72 44.99 1fup s GLY 185 CO 0.28 0.14 0.15 0.50 0.00 0.00 0.00 173.10 174.17 1fup s ARG 186 N -5.24 0.03 -0.04 2.90 0.52 -1.26 -0.02 118.95 115.84 1fup s ARG 186 Ca 0.58 0.50 0.04 0.00 -0.52 0.00 0.00 55.73 56.33 1fup s ARG 186 Cb -0.12 -0.27 -0.00 0.00 0.52 0.00 0.00 34.95 35.07 1fup s ARG 186 CO 0.53 -0.28 -0.16 0.95 0.02 0.00 0.00 175.30 176.36 1fup s THR 187 N 2.02 1.38 -1.93 0.02 -4.23 -0.61 -4.64 115.64 107.64 1fup s THR 187 Ca 0.00 -0.69 0.00 0.00 -1.18 0.00 0.00 61.69 59.82 1fup s THR 187 Cb -0.12 -1.19 0.00 0.00 1.34 0.00 0.00 72.50 72.53 1fup s THR 187 CO -0.05 0.40 0.00 1.41 -0.54 0.00 0.00 174.62 175.83 1fup n HIS 188 N 3.15 -0.20 -0.76 3.99 8.25 -1.26 -0.79 115.22 127.60 1fup n HIS 188 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1fup n HIS 188 Cb 0.53 -3.33 0.00 0.00 1.12 0.00 0.00 29.99 28.31 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 -2.29 0.27 -4.90 2.41 4.32 -1.26 -5.00 117.00 110.55 1fup n LEU 189 Ca -0.20 0.00 -0.31 0.00 -0.02 0.00 0.00 56.01 55.48 1fup n LEU 189 Cb 0.64 -0.43 -0.04 0.00 -1.62 0.00 0.00 43.42 41.97 1fup n LEU 189 CO 0.28 -0.14 0.04 -1.10 -1.22 0.00 0.00 177.39 175.26 1fup s GLN 190 N -0.27 3.61 0.39 3.23 -1.52 0.03 -5.03 119.66 120.10 1fup s GLN 190 Ca 0.00 -0.11 -0.27 0.00 -1.95 0.00 0.00 55.36 53.03 1fup s GLN 190 Cb 0.00 -2.83 -0.11 0.00 -0.22 0.00 0.00 33.01 29.85 1fup s GLN 190 CO 0.00 0.44 1.32 -0.25 -0.25 0.00 0.00 175.29 176.55 1fup n ASP 191 N -0.07 2.84 -1.42 5.90 8.00 -1.26 -1.58 116.55 128.96 1fup n ASP 191 Ca -0.03 1.15 -0.04 0.00 0.71 0.00 0.00 54.79 56.59 1fup n ASP 191 Cb 0.52 -1.52 -0.01 0.00 -0.02 0.00 0.00 41.12 40.09 1fup n ASP 191 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fup n ALA 192 N 0.04 0.08 -1.77 2.24 0.00 0.97 -4.75 120.51 117.32 1fup n ALA 192 Ca 0.05 -0.36 -0.40 0.00 0.00 0.00 0.00 53.44 52.73 1fup n ALA 192 Cb 0.39 0.29 0.01 0.00 0.00 0.00 0.00 19.45 20.13 1fup n ALA 192 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1fup s THR 193 N -2.33 2.26 0.93 0.00 -1.32 -1.26 -3.41 115.64 110.50 1fup s THR 193 Ca 0.07 0.24 -0.10 0.00 -1.21 0.00 0.00 61.69 60.69 1fup s THR 193 Cb 0.00 -3.14 0.13 0.00 -1.51 0.00 0.00 72.50 67.98 1fup s THR 193 CO 0.05 0.04 1.03 -2.65 -2.21 0.00 0.00 174.62 170.88 1fup n PRO 194 N 0.04 -0.45 -3.50 7.08 -0.02 -1.26 -2.48 135.00 134.40 1fup n PRO 194 Ca 0.04 -0.07 -0.12 0.00 -2.02 0.00 0.00 63.50 61.33 1fup n PRO 194 Cb 0.42 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 1fup n PRO 194 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1fup s LEU 195 N -5.76 -0.49 0.47 2.45 2.34 -0.25 -4.76 118.68 112.68 1fup s LEU 195 Ca 0.65 0.23 -0.16 0.00 0.06 0.00 0.00 54.13 54.92 1fup s LEU 195 Cb -0.23 2.28 -0.08 0.00 -0.56 0.00 0.00 46.19 47.60 1fup s LEU 195 CO 0.60 -0.67 0.92 0.42 -1.06 0.00 0.00 176.35 176.56 1fup s THR 196 N -2.53 4.58 0.32 5.48 -4.23 -1.26 -0.38 115.64 117.63 1fup s THR 196 Ca -0.01 1.10 0.00 0.00 -1.18 0.00 0.00 61.69 61.60 1fup s THR 196 Cb -0.01 -3.71 0.24 0.00 1.34 0.00 0.00 72.50 70.36 1fup s THR 196 CO -0.04 -0.60 1.96 0.25 -0.54 0.00 0.00 174.62 175.65 1fup h LEU 197 N 1.14 0.79 -1.29 4.79 5.85 -0.66 -1.62 115.31 124.31 1fup h LEU 197 Ca -0.47 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.19 1fup h LEU 197 Cb 1.18 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 1fup h LEU 197 CO 0.62 0.62 0.30 1.23 -0.34 0.00 0.00 178.44 180.87 1fup h GLY 198 N 0.95 0.84 1.16 3.75 0.00 -1.57 -0.01 103.07 108.19 1fup h GLY 198 Ca 0.24 -0.37 -0.19 0.00 0.00 0.00 0.00 47.33 47.01 1fup h GLY 198 CO -0.04 0.36 -0.56 1.46 0.00 0.00 0.00 176.54 177.75 1fup h GLN 199 N 0.79 0.88 -0.79 4.80 4.20 -1.61 0.02 115.11 123.41 1fup h GLN 199 Ca 0.20 -0.57 -0.05 0.00 0.06 0.00 0.00 58.65 58.29 1fup h GLN 199 Cb 0.04 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 1fup h GLN 199 CO -0.03 1.20 0.30 1.49 -0.67 0.00 0.00 178.83 181.12 1fup h GLU 200 N 0.67 1.19 -0.03 1.46 4.81 -0.84 -2.46 114.58 119.38 1fup h GLU 200 Ca 0.01 -0.23 -0.16 0.00 -0.13 0.00 0.00 59.36 58.86 1fup h GLU 200 Cb 1.17 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 1fup h GLU 200 CO 0.13 0.98 -0.68 0.82 -0.73 0.00 0.00 179.01 179.52 1fup h ILE 201 N 1.16 1.44 0.00 2.32 2.04 -0.90 -2.81 117.51 120.74 1fup h ILE 201 Ca 0.26 -2.20 -0.00 0.00 1.00 0.00 0.00 64.86 63.91 1fup h ILE 201 Cb 0.24 2.17 -0.00 0.00 -0.74 0.00 0.00 36.82 38.49 1fup h ILE 201 CO -0.02 0.64 -0.02 0.77 0.00 0.00 0.00 178.15 179.52 1fup h SER 202 N 0.11 0.00 -0.54 1.72 4.64 -0.52 0.65 113.55 119.62 1fup h SER 202 Ca -0.01 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.23 1fup h SER 202 Cb 1.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 1fup h SER 202 CO 0.10 0.02 0.03 1.23 -0.87 0.00 0.00 176.83 177.34 1fup h GLY 203 N 0.12 1.00 1.18 -0.77 0.00 -1.26 -1.00 103.07 102.35 1fup h GLY 203 Ca -0.00 -0.71 -0.07 0.00 0.00 0.00 0.00 47.33 46.54 1fup h GLY 203 CO 0.00 0.66 0.09 1.49 0.00 0.00 0.00 176.54 178.77 1fup h TRP 204 N 0.81 1.06 0.16 5.60 6.55 -0.96 -1.88 115.95 127.28 1fup h TRP 204 Ca 0.16 -0.14 -0.01 0.00 0.95 0.00 0.00 58.89 59.85 1fup h TRP 204 Cb 0.49 -0.29 0.00 0.00 -0.86 0.00 0.00 29.16 28.50 1fup h TRP 204 CO 0.04 0.90 -0.08 0.28 -1.05 0.00 0.00 178.44 178.53 1fup h VAL 205 N 0.94 0.89 -0.37 1.49 2.07 -1.12 -1.79 116.25 118.35 1fup h VAL 205 Ca 0.19 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1fup h VAL 205 Cb 0.43 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1fup h VAL 205 CO 0.01 0.04 0.25 0.00 0.02 0.00 0.00 177.57 177.89 1fup h ALA 206 N 0.53 1.75 -0.15 1.67 0.00 -1.08 -0.18 119.26 121.79 1fup h ALA 206 Ca -0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1fup h ALA 206 Cb 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1fup h ALA 206 CO 0.04 0.23 0.03 0.52 0.00 0.00 0.00 179.25 180.07 1fup h MET 207 N 0.49 0.25 -0.39 0.00 2.07 -1.01 -1.32 114.93 115.03 1fup h MET 207 Ca 0.14 -0.06 -0.07 0.00 -2.07 0.00 0.00 59.70 57.63 1fup h MET 207 Cb -0.04 -0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 29.64 1fup h MET 207 CO -0.03 0.42 -0.05 -0.07 1.07 0.00 0.00 176.91 178.24 1fup h LEU 208 N 0.05 0.61 -0.57 1.22 3.38 -0.66 -1.27 115.31 118.07 1fup h LEU 208 Ca 0.05 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 1fup h LEU 208 Cb 0.28 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1fup h LEU 208 CO 0.00 0.72 -0.20 -0.33 0.09 0.00 0.00 178.44 178.73 1fup h GLU 209 N 0.60 0.94 -0.44 1.13 5.08 -0.94 -2.14 114.58 118.80 1fup h GLU 209 Ca 0.12 -0.38 -0.10 0.00 -1.00 0.00 0.00 59.36 57.99 1fup h GLU 209 Cb 0.46 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1fup h GLU 209 CO 0.02 1.04 -0.14 0.45 -1.00 0.00 0.00 179.01 179.39 1fup h HIS 210 N 0.81 0.91 -0.48 4.33 3.86 -0.85 -2.83 115.15 120.91 1fup h HIS 210 Ca 0.11 -0.18 -0.06 0.00 -1.16 0.00 0.00 60.37 59.08 1fup h HIS 210 Cb 0.75 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.97 1fup h HIS 210 CO 0.05 0.91 0.05 -0.91 0.86 0.00 0.00 177.93 178.88 1fup h ASN 211 N 0.74 0.72 -0.34 2.45 2.35 -0.99 -2.66 115.58 117.85 1fup h ASN 211 Ca 0.12 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1fup h ASN 211 Cb 0.64 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 1fup h ASN 211 CO 0.04 0.76 0.21 0.25 -1.65 0.00 0.00 177.43 177.05 1fup h LEU 212 N 0.73 0.40 -0.54 1.61 5.85 -1.14 -1.18 115.31 121.03 1fup h LEU 212 Ca 0.15 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1fup h LEU 212 Cb 0.37 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1fup h LEU 212 CO 0.01 0.32 0.35 0.11 -0.34 0.00 0.00 178.44 178.90 1fup h LYS 213 N 0.45 0.69 -0.77 1.25 6.56 -1.38 -0.07 116.57 123.29 1fup h LYS 213 Ca 0.12 -0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 59.67 1fup h LYS 213 Cb -0.01 -0.16 -0.04 0.00 -0.57 0.00 0.00 32.23 31.46 1fup h LYS 213 CO -0.02 0.46 0.46 0.45 -2.06 0.00 0.00 179.45 178.74 1fup h HIS 214 N 0.71 1.03 -0.54 -1.35 3.86 -1.21 -1.01 115.15 116.63 1fup h HIS 214 Ca 0.20 -0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.34 1fup h HIS 214 Cb -0.06 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.05 1fup h HIS 214 CO -0.04 0.69 0.06 0.82 0.86 0.00 0.00 177.93 180.32 1fup h ILE 215 N 1.06 1.26 -0.61 2.45 2.04 -0.75 -2.74 117.51 120.22 1fup h ILE 215 Ca 0.28 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.12 1fup h ILE 215 Cb -0.03 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1fup h ILE 215 CO -0.05 0.36 0.33 -0.33 0.00 0.00 0.00 178.15 178.46 1fup h GLU 216 N 0.80 0.84 0.00 2.37 5.08 -0.50 -1.93 114.58 121.24 1fup h GLU 216 Ca 0.16 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1fup h GLU 216 Cb 0.44 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1fup h GLU 216 CO 0.02 0.63 -0.11 1.88 -1.00 0.00 0.00 179.01 180.42 1fup h TYR 217 N 0.85 0.00 0.00 4.33 0.05 -0.89 -2.62 116.97 118.69 1fup h TYR 217 Ca 0.22 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.00 1fup h TYR 217 Cb 0.03 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.77 1fup h TYR 217 CO 0.01 0.11 -0.40 -1.13 -1.05 0.00 0.00 178.16 175.69 1fup n SER 218 N -3.42 0.41 -0.04 3.88 3.41 -0.73 -4.46 113.62 112.66 1fup n SER 218 Ca -0.01 -0.08 -0.12 0.00 -0.26 0.00 0.00 58.87 58.40 1fup n SER 218 Cb 0.28 0.09 -0.06 0.00 -0.26 0.00 0.00 64.21 64.26 1fup n SER 218 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1fup h LEU 219 N 0.00 0.24 -2.06 1.04 3.38 -1.43 -3.21 115.31 113.26 1fup h LEU 219 Ca 0.00 -0.30 0.10 0.00 0.09 0.00 0.00 57.88 57.77 1fup h LEU 219 Cb 0.51 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1fup h LEU 219 CO 0.00 0.48 0.27 1.55 0.09 0.00 0.00 178.44 180.83 1fup h PRO 220 N -0.01 0.00 0.01 1.13 0.13 -1.78 0.66 132.00 132.14 1fup h PRO 220 Ca 0.04 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.96 1fup h PRO 220 Cb 0.35 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.48 1fup h PRO 220 CO 0.01 0.00 -0.93 1.25 -0.23 0.00 0.00 178.00 178.10 1fup h HIS 221 N 0.00 0.43 0.00 1.56 2.76 -1.85 -3.13 115.15 114.93 1fup h HIS 221 Ca 0.16 -0.24 -0.11 0.00 -2.20 0.00 0.00 60.37 57.98 1fup h HIS 221 Cb 0.71 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.60 1fup h HIS 221 CO 0.00 1.07 -0.51 0.28 -1.30 0.00 0.00 177.93 177.47 1fup h VAL 222 N 0.15 1.18 0.00 5.26 2.07 -0.95 -2.97 116.25 121.00 1fup h VAL 222 Ca -0.06 -1.85 0.00 0.00 0.82 0.00 0.00 66.70 65.61 1fup h VAL 222 Cb 1.57 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 33.39 1fup h VAL 222 CO 0.15 0.50 0.00 0.00 0.02 0.00 0.00 177.57 178.24 1fup n ALA 223 N -2.36 1.59 -2.61 1.67 0.00 -0.32 -4.69 120.51 113.79 1fup n ALA 223 Ca -0.01 -0.01 -0.43 0.00 0.00 0.00 0.00 53.44 52.99 1fup n ALA 223 Cb 0.57 -1.25 -0.02 0.00 0.00 0.00 0.00 19.45 18.75 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 -3.08 4.28 -0.14 0.00 2.02 -1.12 -1.29 118.70 119.36 1fup s GLU 224 Ca 0.06 1.43 -0.07 0.00 0.02 0.00 0.00 54.97 56.40 1fup s GLU 224 Cb 0.09 -3.65 -0.04 0.00 0.10 0.00 0.00 34.13 30.62 1fup s GLU 224 CO 0.27 -0.60 0.12 -0.51 0.02 0.00 0.00 175.26 174.56 1fup s LEU 225 N 3.09 4.26 0.00 1.80 1.43 0.48 -4.71 118.68 125.04 1fup s LEU 225 Ca 0.47 0.37 0.28 0.00 -1.03 0.00 0.00 54.13 54.21 1fup s LEU 225 Cb -0.17 -2.05 1.05 0.00 0.03 0.00 0.00 46.19 45.05 1fup s LEU 225 CO 0.09 0.34 1.79 0.00 0.23 0.00 0.00 176.35 178.80 1fup n ALA 226 N 2.46 2.66 -1.66 4.21 0.00 -1.26 -0.30 120.51 126.62 1fup n ALA 226 Ca -0.19 -0.17 -0.47 0.00 0.00 0.00 0.00 53.44 52.61 1fup n ALA 226 Cb 0.54 -1.38 -0.05 0.00 0.00 0.00 0.00 19.45 18.57 1fup n ALA 226 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1fup n LEU 227 N -1.49 3.46 0.00 0.00 7.94 -1.25 -1.71 117.00 123.94 1fup n LEU 227 Ca 0.07 0.89 0.00 0.00 -1.11 0.00 0.00 56.01 55.86 1fup n LEU 227 Cb 0.34 -1.39 0.00 0.00 0.53 0.00 0.00 43.42 42.89 1fup n LEU 227 CO 0.29 -0.09 0.00 0.61 -1.11 0.00 0.00 177.39 177.09 1fup n GLY 228 N 4.63 1.72 0.20 -3.96 0.00 -1.26 -4.43 105.19 102.09 1fup n GLY 228 Ca 0.24 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.59 -3.33 103.07 98.13 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 -1.30 0.00 0.00 0.00 176.54 175.24 1fup n THR 230 N -2.75 0.00 0.39 4.70 -2.24 -1.26 -0.25 114.28 112.87 1fup n THR 230 Ca 0.02 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.62 1fup n THR 230 Cb 0.34 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.48 1fup n THR 230 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fup h ALA 231 N -0.86 -1.08 -0.04 6.98 0.00 -1.93 -3.31 119.26 119.02 1fup h ALA 231 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1fup h ALA 231 Cb 0.00 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1fup h ALA 231 CO 0.00 -1.12 0.00 1.33 0.00 0.00 0.00 179.25 179.46 1fup n VAL 232 N -5.56 0.15 0.00 0.00 0.24 -1.26 -4.88 118.33 107.02 1fup n VAL 232 Ca -0.14 -0.57 0.00 0.00 -2.04 0.00 0.00 64.34 61.59 1fup n VAL 232 Cb 0.44 1.07 0.00 0.00 -1.47 0.00 0.00 33.84 33.88 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 0.41 2.36 0.24 7.63 0.00 0.65 -4.77 105.19 111.70 1fup n GLY 233 Ca 0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.18 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 0.62 0.00 2.61 1.35 -1.87 -3.43 112.91 112.19 1fup h THR 234 Ca 0.00 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 1fup h THR 234 Cb 0.00 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 1fup h THR 234 CO 0.00 0.19 0.00 0.61 -0.25 0.00 0.00 175.52 176.07 1fup n GLY 235 N -0.30 0.56 3.73 5.82 0.00 -0.82 -4.99 105.19 109.20 1fup n GLY 235 Ca -0.01 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 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 4.12 -2.22 0.99 0.00 -1.26 -3.05 117.00 115.58 1fup n LEU 236 Ca 0.00 1.16 -0.08 0.00 0.00 0.00 0.00 56.01 57.10 1fup n LEU 236 Cb 0.00 -1.56 0.04 0.00 0.00 0.00 0.00 43.42 41.90 1fup n LEU 236 CO 0.00 -0.02 0.04 -3.20 0.00 0.00 0.00 177.39 174.20 1fup n ASN 237 N 1.76 -2.82 -3.60 1.96 5.15 -1.26 -4.79 115.26 111.65 1fup n ASN 237 Ca 0.08 -0.31 -0.16 0.00 -0.60 0.00 0.00 54.58 53.59 1fup n ASN 237 Cb 0.36 -2.71 -0.07 0.00 -0.53 0.00 0.00 39.78 36.83 1fup n ASN 237 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1fup s THR 238 N -3.18 0.00 0.13 -0.44 2.01 -1.17 -4.77 115.64 108.22 1fup s THR 238 Ca 0.08 -0.03 -0.31 0.00 0.31 0.00 0.00 61.69 61.75 1fup s THR 238 Cb -0.01 -0.95 -0.07 0.00 0.01 0.00 0.00 72.50 71.48 1fup s THR 238 CO 0.35 -0.02 1.30 -2.28 -0.69 0.00 0.00 174.62 173.28 1fup s HIS 239 N -0.43 3.32 0.56 4.92 2.46 -1.26 -4.91 115.29 119.95 1fup s HIS 239 Ca -0.06 1.15 0.38 0.00 0.47 0.00 0.00 55.06 57.00 1fup s HIS 239 Cb -0.03 -3.57 1.50 0.00 -0.13 0.00 0.00 32.58 30.35 1fup s HIS 239 CO 0.05 -1.86 1.69 -1.00 -2.47 0.00 0.00 174.74 171.15 1fup h PRO 240 N 6.34 0.00 -0.01 2.88 0.13 -2.00 0.15 132.00 139.49 1fup h PRO 240 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1fup h PRO 240 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1fup h PRO 240 CO 0.82 0.00 -0.43 0.39 -0.23 0.00 0.00 178.00 178.55 1fup n GLU 241 N -3.92 0.83 0.13 0.86 1.02 -1.26 -4.57 120.64 113.73 1fup n GLU 241 Ca 0.28 -0.59 -0.17 0.00 -0.02 0.00 0.00 57.16 56.66 1fup n GLU 241 Cb 1.41 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 31.24 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 1.45 -1.54 -0.59 -0.32 3.20 -1.07 -0.83 116.97 117.26 1fup h TYR 242 Ca 0.00 0.04 0.12 0.00 3.14 0.00 0.00 58.73 62.03 1fup h TYR 242 Cb 0.60 0.65 -0.12 0.00 1.54 0.00 0.00 36.73 39.40 1fup h TYR 242 CO 0.00 -0.61 -0.21 0.00 -1.64 0.00 0.00 178.16 175.70 1fup h ALA 243 N -0.57 0.25 -0.15 1.82 0.00 -1.77 0.22 119.26 119.07 1fup h ALA 243 Ca -0.01 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1fup h ALA 243 Cb 0.78 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1fup h ALA 243 CO -0.27 -0.51 -0.00 -0.09 0.00 0.00 0.00 179.25 178.38 1fup h ARG 244 N -0.07 0.26 -0.07 0.00 2.43 -1.84 -2.57 114.38 112.53 1fup h ARG 244 Ca 0.27 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1fup h ARG 244 Cb 0.49 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1fup h ARG 244 CO -0.64 0.49 0.05 0.00 -1.51 0.00 0.00 179.97 178.36 1fup h ARG 245 N 0.00 0.10 -0.30 0.20 3.08 -0.38 -0.96 114.38 116.11 1fup h ARG 245 Ca 0.04 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 1fup h ARG 245 Cb 0.38 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 1fup h ARG 245 CO 0.01 0.08 0.01 -0.24 -1.07 0.00 0.00 179.97 178.76 1fup h VAL 246 N 0.08 1.17 -0.24 2.04 3.04 -0.65 -0.43 116.25 121.27 1fup h VAL 246 Ca 0.03 -0.68 -0.14 0.00 -1.01 0.00 0.00 66.70 64.90 1fup h VAL 246 Cb 0.01 0.93 -0.01 0.00 -2.01 0.00 0.00 31.29 30.21 1fup h VAL 246 CO -0.01 0.23 -0.44 0.00 -1.01 0.00 0.00 177.57 176.35 1fup h ALA 247 N 1.58 0.79 -0.35 3.17 0.00 -1.16 -1.91 119.26 121.38 1fup h ALA 247 Ca 0.10 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 1fup h ALA 247 Cb 0.27 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1fup h ALA 247 CO 0.01 0.66 -0.12 -0.44 0.00 0.00 0.00 179.25 179.36 1fup h ASP 248 N 0.48 0.71 0.09 0.00 3.32 -0.32 -1.82 116.42 118.88 1fup h ASP 248 Ca 0.03 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1fup h ASP 248 Cb 0.96 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.30 1fup h ASP 248 CO 0.09 0.93 -0.09 -0.08 -1.72 0.00 0.00 179.24 178.37 1fup h GLU 249 N 0.49 -0.19 -0.36 3.56 4.57 -0.98 -0.87 114.58 120.79 1fup h GLU 249 Ca 0.08 0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.35 1fup h GLU 249 Cb 0.64 0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 29.20 1fup h GLU 249 CO 0.04 -0.13 -0.10 1.25 -1.18 0.00 0.00 179.01 178.90 1fup h LEU 250 N -0.20 -0.35 -0.49 1.64 5.85 -1.32 -0.80 115.31 119.64 1fup h LEU 250 Ca 0.00 0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.92 1fup h LEU 250 Cb 0.19 0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.38 1fup h LEU 250 CO -0.02 -0.13 0.11 0.00 -0.34 0.00 0.00 178.44 178.06 1fup h ALA 251 N 1.35 0.55 0.07 1.25 0.00 -0.92 -1.48 119.26 120.08 1fup h ALA 251 Ca 0.18 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1fup h ALA 251 Cb 0.27 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1fup h ALA 251 CO -0.38 -0.30 -0.03 0.28 0.00 0.00 0.00 179.25 178.82 1fup h VAL 252 N 0.25 0.95 0.00 0.00 2.07 0.11 0.57 116.25 120.19 1fup h VAL 252 Ca 0.24 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.70 1fup h VAL 252 Cb 0.32 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1fup h VAL 252 CO -0.31 0.02 0.00 2.30 0.02 0.00 0.00 177.57 179.60 1fup n ILE 253 N -5.12 0.73 -0.00 4.57 -5.35 -0.43 -3.45 119.36 110.31 1fup n ILE 253 Ca -0.08 0.06 0.04 0.00 -0.27 0.00 0.00 62.75 62.51 1fup n ILE 253 Cb 0.08 -0.94 -0.07 0.00 -1.74 0.00 0.00 39.64 36.97 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 -2.15 0.00 -1.12 7.28 -2.24 -0.58 -5.00 114.28 110.47 1fup n THR 254 Ca 0.04 -0.20 -0.04 0.00 -2.27 0.00 0.00 64.05 61.58 1fup n THR 254 Cb 0.29 0.31 -0.02 0.00 -2.10 0.00 0.00 70.33 68.81 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 -1.87 3.78 -0.38 0.00 0.00 -1.19 -5.00 121.76 117.10 1fup s ALA 256 Ca 0.00 -0.70 -0.03 0.00 0.00 0.00 0.00 51.96 51.23 1fup s ALA 256 Cb 0.00 -1.86 -0.07 0.00 0.00 0.00 0.00 23.12 21.19 1fup s ALA 256 CO 0.00 0.64 1.79 -0.35 0.00 0.00 0.00 175.76 177.84 1fup n PRO 257 N 1.81 1.21 -2.28 0.00 -0.04 -1.26 -4.36 135.00 130.08 1fup n PRO 257 Ca -0.18 -0.85 -0.38 0.00 -0.04 0.00 0.00 63.50 62.05 1fup n PRO 257 Cb 0.54 -2.06 -0.02 0.00 -0.04 0.00 0.00 33.50 31.93 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 3.12 3.01 0.02 0.54 0.08 -1.26 -4.88 117.98 118.61 1fup s PHE 258 Ca 0.28 1.55 -0.06 0.00 0.12 0.00 0.00 56.93 58.82 1fup s PHE 258 Cb 0.10 -3.39 -0.01 0.00 -0.57 0.00 0.00 43.02 39.15 1fup s PHE 258 CO -0.01 -1.38 0.11 0.14 -0.10 0.00 0.00 175.22 173.97 1fup s VAL 259 N -1.45 0.11 0.38 -0.44 -7.23 -0.41 -4.75 120.40 106.61 1fup s VAL 259 Ca 0.59 -0.92 -0.25 0.00 -1.81 0.00 0.00 61.98 59.59 1fup s VAL 259 Cb -0.30 -0.66 -0.09 0.00 0.56 0.00 0.00 36.38 35.89 1fup s VAL 259 CO 0.38 -0.50 1.13 0.28 -0.31 0.00 0.00 175.10 176.07 1fup s THR 260 N -2.04 3.35 0.02 5.32 -1.32 -1.26 -0.39 115.64 119.33 1fup s THR 260 Ca -0.10 1.14 -0.30 0.00 -1.21 0.00 0.00 61.69 61.22 1fup s THR 260 Cb -0.04 -3.64 -0.06 0.00 -1.51 0.00 0.00 72.50 67.24 1fup s THR 260 CO -0.02 0.11 1.50 0.00 -2.21 0.00 0.00 174.62 173.99 1fup s ALA 261 N -1.44 3.62 0.38 11.08 0.00 0.59 -4.62 121.76 131.36 1fup s ALA 261 Ca 0.55 1.00 0.08 0.00 0.00 0.00 0.00 51.96 53.60 1fup s ALA 261 Cb -0.28 -3.64 0.82 0.00 0.00 0.00 0.00 23.12 20.02 1fup s ALA 261 CO 0.36 -0.99 1.95 -1.00 0.00 0.00 0.00 175.76 176.07 1fup h PRO 262 N 8.04 0.65 -4.69 0.00 0.13 -1.92 -3.36 132.00 130.85 1fup h PRO 262 Ca -0.40 -0.04 -0.64 0.00 -0.87 0.00 0.00 66.00 64.05 1fup h PRO 262 Cb 1.19 -0.15 -0.37 0.00 0.13 0.00 0.00 31.00 31.80 1fup h PRO 262 CO 0.91 0.43 -0.81 1.21 -0.23 0.00 0.00 178.00 179.52 1fup s ASN 263 N -6.13 3.85 0.41 1.44 2.47 -1.26 -4.98 114.94 110.73 1fup s ASN 263 Ca -0.09 -1.11 0.23 0.00 0.42 0.00 0.00 52.86 52.31 1fup s ASN 263 Cb 0.20 -1.37 0.68 0.00 -1.45 0.00 0.00 41.25 39.31 1fup s ASN 263 CO 0.77 -0.16 1.72 0.11 -3.72 0.00 0.00 177.10 175.82 1fup h LYS 264 N 7.89 0.00 -0.17 0.43 1.79 -1.84 -2.81 116.57 121.86 1fup h LYS 264 Ca -0.24 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.06 1fup h LYS 264 Cb 1.08 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.72 1fup h LYS 264 CO 0.47 0.23 -0.56 0.74 -1.08 0.00 0.00 179.45 179.26 1fup h PHE 265 N 0.00 0.67 -0.16 -1.35 0.04 -1.86 -0.78 116.94 113.50 1fup h PHE 265 Ca -0.00 -0.24 -0.18 0.00 2.80 0.00 0.00 57.97 60.35 1fup h PHE 265 Cb 0.91 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 38.93 1fup h PHE 265 CO 0.00 0.97 -0.63 1.49 -0.60 0.00 0.00 178.31 179.54 1fup h GLU 266 N 0.41 0.57 -0.46 1.51 4.22 -1.95 -0.98 114.58 117.91 1fup h GLU 266 Ca 0.01 -0.40 -0.13 0.00 0.08 0.00 0.00 59.36 58.91 1fup h GLU 266 Cb 1.10 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1fup h GLU 266 CO 0.10 1.02 -0.21 0.00 -2.18 0.00 0.00 179.01 177.74 1fup h ALA 267 N 0.88 0.64 0.21 2.92 0.00 -1.29 -2.83 119.26 119.79 1fup h ALA 267 Ca -0.01 -0.39 -0.33 0.00 0.00 0.00 0.00 54.91 54.18 1fup h ALA 267 Cb 1.20 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 18.86 1fup h ALA 267 CO 0.12 0.62 -1.53 -0.07 0.00 0.00 0.00 179.25 178.39 1fup h LEU 268 N 0.79 0.71 -0.03 0.00 3.38 -1.12 -3.36 115.31 115.68 1fup h LEU 268 Ca 0.10 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.24 1fup h LEU 268 Cb 0.79 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1fup h LEU 268 CO 0.07 1.67 0.00 0.00 0.09 0.00 0.00 178.44 180.26 1fup n ALA 269 N -2.73 2.24 -2.39 1.53 0.00 -0.37 -2.37 120.51 116.41 1fup n ALA 269 Ca -0.18 -0.07 -0.13 0.00 0.00 0.00 0.00 53.44 53.06 1fup n ALA 269 Cb 1.09 -1.45 -0.09 0.00 0.00 0.00 0.00 19.45 19.00 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 -3.04 0.00 -0.16 0.00 -4.23 -1.07 -3.72 115.64 103.43 1fup s THR 270 Ca 0.12 -1.89 0.15 0.00 -1.18 0.00 0.00 61.69 58.89 1fup s THR 270 Cb 0.16 -2.47 0.35 0.00 1.34 0.00 0.00 72.50 71.88 1fup s THR 270 CO 0.52 0.00 1.18 0.00 -0.54 0.00 0.00 174.62 175.78 1fup h ASP 272 N 0.56 0.00 -0.85 0.00 3.32 -1.89 0.05 116.42 117.62 1fup h ASP 272 Ca -0.01 0.18 0.06 0.00 0.02 0.00 0.00 57.03 57.28 1fup h ASP 272 Cb 1.08 0.24 -0.05 0.00 0.22 0.00 0.00 39.33 40.82 1fup h ASP 272 CO 0.01 -0.11 0.55 0.00 -1.72 0.00 0.00 179.24 177.97 1fup h ALA 273 N 1.73 1.56 0.09 3.45 0.00 -1.89 -1.17 119.26 123.02 1fup h ALA 273 Ca 0.51 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 55.14 1fup h ALA 273 Cb 0.97 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1fup h ALA 273 CO -0.61 0.32 -1.14 -0.07 0.00 0.00 0.00 179.25 177.75 1fup h LEU 274 N 0.96 0.39 -0.71 0.00 3.38 -1.41 -0.78 115.31 117.13 1fup h LEU 274 Ca 0.36 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1fup h LEU 274 Cb 0.19 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1fup h LEU 274 CO -0.13 1.27 0.30 0.58 0.09 0.00 0.00 178.44 180.56 1fup h VAL 275 N 0.09 1.24 -0.12 1.22 2.07 -0.92 0.51 116.25 120.36 1fup h VAL 275 Ca -0.11 -0.74 -0.11 0.00 0.82 0.00 0.00 66.70 66.56 1fup h VAL 275 Cb 1.85 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1fup h VAL 275 CO 0.18 0.30 -0.34 1.56 0.02 0.00 0.00 177.57 179.30 1fup h GLN 276 N 1.02 0.44 -0.65 1.57 1.08 -1.23 -2.70 115.11 114.64 1fup h GLN 276 Ca 0.24 -0.31 -0.04 0.00 -1.45 0.00 0.00 58.65 57.08 1fup h GLN 276 Cb 0.18 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.64 1fup h GLN 276 CO -0.02 0.93 0.24 0.00 -0.95 0.00 0.00 178.83 179.03 1fup h ALA 277 N 0.50 1.20 0.00 3.87 0.00 -0.97 -1.25 119.26 122.62 1fup h ALA 277 Ca -0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1fup h ALA 277 Cb 0.96 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1fup h ALA 277 CO 0.07 0.57 -0.12 1.25 0.00 0.00 0.00 179.25 181.03 1fup h HIS 278 N 0.94 0.00 -0.73 0.00 -0.00 -0.89 -2.23 115.15 112.24 1fup h HIS 278 Ca 0.22 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.55 1fup h HIS 278 Cb 0.21 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.59 1fup h HIS 278 CO 0.02 0.12 0.29 0.78 -0.00 0.00 0.00 177.93 179.13 1fup h GLY 279 N 1.81 1.16 1.62 5.26 0.00 -0.88 -0.84 103.07 111.21 1fup h GLY 279 Ca -0.00 -0.62 -0.12 0.00 0.00 0.00 0.00 47.33 46.59 1fup h GLY 279 CO 0.02 0.58 -0.41 0.00 0.00 0.00 0.00 176.54 176.73 1fup h ALA 280 N 1.26 0.96 -0.33 3.60 0.00 -1.33 -2.71 119.26 120.70 1fup h ALA 280 Ca 0.24 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1fup h ALA 280 Cb 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1fup h ALA 280 CO -0.02 0.62 -0.10 -0.07 0.00 0.00 0.00 179.25 179.68 1fup h LEU 281 N 0.35 0.67 -1.93 0.00 3.38 -1.20 -1.33 115.31 115.24 1fup h LEU 281 Ca 0.03 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 1fup h LEU 281 Cb 0.87 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1fup h LEU 281 CO 0.07 0.89 -0.10 0.07 0.09 0.00 0.00 178.44 179.47 1fup h LYS 282 N 0.44 0.00 -0.15 1.13 5.09 -1.13 0.76 116.57 122.70 1fup h LYS 282 Ca 0.08 0.00 -0.10 0.00 0.09 0.00 0.00 60.65 60.72 1fup h LYS 282 Cb 0.61 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.94 1fup h LYS 282 CO 0.04 0.10 -0.30 0.78 -2.09 0.00 0.00 179.45 177.97 1fup h GLY 283 N 0.98 0.52 1.25 0.07 0.00 -1.10 -2.02 103.07 102.77 1fup h GLY 283 Ca -0.00 -0.62 -0.07 0.00 0.00 0.00 0.00 47.33 46.64 1fup h GLY 283 CO 0.01 0.55 0.09 -2.00 0.00 0.00 0.00 176.54 175.20 1fup h LEU 284 N 0.10 0.88 -0.94 3.11 5.85 -0.15 -2.24 115.31 121.93 1fup h LEU 284 Ca 0.01 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 1fup h LEU 284 Cb 0.90 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.65 1fup h LEU 284 CO 0.07 0.88 0.57 0.00 -0.34 0.00 0.00 178.44 179.62 1fup h ALA 285 N 1.22 1.19 -0.60 1.25 0.00 -0.80 0.92 119.26 122.46 1fup h ALA 285 Ca 0.18 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1fup h ALA 285 Cb 0.39 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1fup h ALA 285 CO 0.01 0.65 -0.02 0.00 0.00 0.00 0.00 179.25 179.89 1fup h ALA 286 N 1.31 0.83 -0.19 0.00 0.00 -0.94 -1.07 119.26 119.20 1fup h ALA 286 Ca 0.34 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1fup h ALA 286 Cb -0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1fup h ALA 286 CO -0.06 0.67 -0.01 0.77 0.00 0.00 0.00 179.25 180.62 1fup h SER 287 N 0.97 0.34 -0.93 0.00 0.02 -0.91 -2.75 113.55 110.29 1fup h SER 287 Ca 0.17 -0.32 0.01 0.00 -0.84 0.00 0.00 61.79 60.81 1fup h SER 287 Cb 0.58 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.98 1fup h SER 287 CO 0.03 0.58 0.61 -0.07 -1.14 0.00 0.00 176.83 176.84 1fup h LEU 288 N 0.09 1.05 -0.75 5.07 3.38 -0.74 -1.75 115.31 121.67 1fup h LEU 288 Ca 0.05 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1fup h LEU 288 Cb 0.41 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 1fup h LEU 288 CO 0.01 0.75 0.45 -0.03 0.09 0.00 0.00 178.44 179.72 1fup h MET 289 N 1.24 0.81 -0.34 1.13 4.05 -1.14 0.24 114.93 120.92 1fup h MET 289 Ca 0.35 -0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.64 1fup h MET 289 Cb -0.11 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 30.49 1fup h MET 289 CO -0.08 0.54 -0.08 -0.22 0.23 0.00 0.00 176.91 177.29 1fup h LYS 290 N 0.84 0.66 -0.24 0.39 3.11 -1.06 -1.77 116.57 118.49 1fup h LYS 290 Ca 0.32 -0.25 -0.02 0.00 -2.81 0.00 0.00 60.65 57.89 1fup h LYS 290 Cb 0.14 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.32 1fup h LYS 290 CO -0.16 0.82 0.08 0.82 -2.81 0.00 0.00 179.45 178.20 1fup h ILE 291 N 0.44 1.19 -0.76 2.00 2.04 -0.96 -1.00 117.51 120.47 1fup h ILE 291 Ca 0.09 -0.62 -0.00 0.00 1.00 0.00 0.00 64.86 65.33 1fup h ILE 291 Cb 0.58 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 1fup h ILE 291 CO 0.03 0.20 0.47 0.00 0.00 0.00 0.00 178.15 178.85 1fup h ALA 292 N 0.90 0.96 -0.47 1.87 0.00 -0.96 -0.96 119.26 120.61 1fup h ALA 292 Ca 0.08 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1fup h ALA 292 Cb 0.24 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1fup h ALA 292 CO -0.00 0.42 0.13 -0.91 0.00 0.00 0.00 179.25 178.89 1fup h ASN 293 N 1.03 0.70 -0.17 0.00 2.35 -1.15 -1.32 115.58 117.02 1fup h ASN 293 Ca 0.27 -0.22 0.02 0.00 -0.55 0.00 0.00 56.30 55.82 1fup h ASN 293 Cb -0.06 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 1fup h ASN 293 CO -0.05 0.73 0.04 0.44 -1.65 0.00 0.00 177.43 176.94 1fup h ASP 294 N 0.63 0.02 -0.43 5.81 3.32 -0.76 -1.36 116.42 123.64 1fup h ASP 294 Ca 0.15 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.26 1fup h ASP 294 Cb 0.30 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 1fup h ASP 294 CO -0.00 0.04 0.20 0.58 -1.72 0.00 0.00 179.24 178.34 1fup h VAL 295 N 0.11 0.95 -0.08 -1.35 2.07 -0.91 -0.01 116.25 117.02 1fup h VAL 295 Ca 0.07 -0.14 -0.13 0.00 0.82 0.00 0.00 66.70 67.33 1fup h VAL 295 Cb 0.06 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1fup h VAL 295 CO -0.09 0.07 -0.51 0.08 0.02 0.00 0.00 177.57 177.14 1fup h ARG 296 N 0.41 0.22 -0.15 1.57 0.11 -0.99 -2.07 114.38 113.48 1fup h ARG 296 Ca 0.19 -0.13 -0.22 0.00 0.10 0.00 0.00 59.98 59.92 1fup h ARG 296 Cb 0.12 0.01 0.01 0.00 1.11 0.00 0.00 29.97 31.22 1fup h ARG 296 CO -0.15 0.68 -0.78 -1.49 0.10 0.00 0.00 179.97 178.33 1fup h TRP 297 N 0.17 1.03 0.00 4.08 4.06 -0.96 -1.89 115.95 122.43 1fup h TRP 297 Ca 0.00 -0.46 -0.04 0.00 2.06 0.00 0.00 58.89 60.46 1fup h TRP 297 Cb 0.97 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 28.96 1fup h TRP 297 CO 0.02 1.28 -0.17 -0.07 -3.56 0.00 0.00 178.44 175.94 1fup h LEU 298 N 0.52 0.00 -1.70 -4.49 4.07 -0.89 -2.32 115.31 110.50 1fup h LEU 298 Ca -0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.91 1fup h LEU 298 Cb 1.41 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.15 1fup h LEU 298 CO 0.16 0.17 -0.12 0.00 -1.08 0.00 0.00 178.44 177.57 1fup n ALA 299 N -2.28 2.73 -1.76 1.53 0.00 -0.79 -0.19 120.51 119.76 1fup n ALA 299 Ca -0.01 -0.68 -0.39 0.00 0.00 0.00 0.00 53.44 52.36 1fup n ALA 299 Cb 0.30 -0.80 0.03 0.00 0.00 0.00 0.00 19.45 18.98 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 -2.11 5.58 0.00 0.00 1.04 -0.72 -4.56 113.70 112.92 1fup s SER 300 Ca 0.26 2.86 0.00 0.00 0.48 0.00 0.00 55.95 59.55 1fup s SER 300 Cb 0.19 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.67 1fup s SER 300 CO 0.37 -1.37 0.00 0.61 0.98 0.00 0.00 173.24 173.82 1fup n GLY 301 N 0.65 -0.28 0.19 7.32 0.00 -1.26 0.02 105.19 111.82 1fup n GLY 301 Ca 0.08 -0.41 0.08 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.88 -3.43 132.00 128.44 1fup h PRO 302 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.79 1fup h PRO 302 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 1fup h PRO 302 CO 0.00 0.25 -2.26 0.54 -0.23 0.00 0.00 178.00 176.29 1fup n ARG 303 N -3.22 0.97 -0.93 0.86 5.12 -1.26 -4.67 116.66 113.53 1fup n ARG 303 Ca 0.02 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.87 1fup n ARG 303 Cb 0.56 -1.47 0.18 0.00 -1.16 0.00 0.00 32.46 30.58 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 -1.10 4.97 0.13 0.00 0.00 -1.26 -4.86 105.19 103.07 1fup n GLY 305 Ca 0.36 -1.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.08 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 1.56 -3.01 -0.61 5.41 -0.99 -4.90 119.36 116.83 1fup n ILE 306 Ca 0.00 -0.37 -0.20 0.00 1.00 0.00 0.00 62.75 63.18 1fup n ILE 306 Cb 0.00 -1.81 0.00 0.00 -0.71 0.00 0.00 39.64 37.12 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 1.62 -0.50 0.15 7.39 0.00 0.10 -4.88 105.19 109.07 1fup n GLY 307 Ca -0.44 0.07 0.03 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.73 0.00 -5.01 1.61 5.08 -0.86 -3.43 114.58 111.23 1fup h GLU 308 Ca -0.41 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.61 1fup h GLU 308 Cb 1.28 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.39 1fup h GLU 308 CO 0.48 0.48 -0.67 0.96 -1.00 0.00 0.00 179.01 179.26 1fup s ILE 309 N -3.16 0.98 -0.01 3.13 -4.36 -0.86 -0.66 121.20 116.26 1fup s ILE 309 Ca 0.03 -2.03 0.06 0.00 -0.26 0.00 0.00 60.65 58.45 1fup s ILE 309 Cb 0.09 -2.16 -0.02 0.00 1.25 0.00 0.00 42.46 41.62 1fup s ILE 309 CO 0.73 -0.47 -0.19 -0.94 0.24 0.00 0.00 174.94 174.31 1fup s SER 310 N -3.24 2.18 0.25 4.36 1.04 0.75 -4.20 113.70 114.85 1fup s SER 310 Ca 0.24 -0.36 0.11 0.00 0.48 0.00 0.00 55.95 56.42 1fup s SER 310 Cb 0.05 -0.23 -0.05 0.00 0.10 0.00 0.00 66.02 65.89 1fup s SER 310 CO 0.05 0.21 -0.14 0.27 0.98 0.00 0.00 173.24 174.61 1fup s ILE 311 N -0.49 2.79 0.24 -1.02 -4.36 -1.26 -1.56 121.20 115.53 1fup s ILE 311 Ca 0.07 -2.14 -0.31 0.00 -0.26 0.00 0.00 60.65 58.01 1fup s ILE 311 Cb -0.07 -2.44 -0.12 0.00 1.25 0.00 0.00 42.46 41.07 1fup s ILE 311 CO -0.00 -0.31 1.65 -2.65 0.24 0.00 0.00 174.94 173.87 1fup n PRO 312 N -0.47 2.67 -3.03 0.37 -0.02 -1.26 -4.95 135.00 128.31 1fup n PRO 312 Ca -0.07 0.96 -0.43 0.00 -2.02 0.00 0.00 63.50 61.94 1fup n PRO 312 Cb 0.59 -2.77 -0.06 0.00 -0.02 0.00 0.00 33.50 31.24 1fup n PRO 312 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1fup s GLU 313 N 0.48 3.48 0.00 -0.52 2.12 -1.26 -4.92 118.70 118.08 1fup s GLU 313 Ca 0.71 -0.08 0.23 0.00 0.36 0.00 0.00 54.97 56.19 1fup s GLU 313 Cb -0.52 -3.90 0.04 0.00 0.26 0.00 0.00 34.13 30.01 1fup s GLU 313 CO 0.39 -0.97 1.12 0.09 -0.54 0.00 0.00 175.26 175.35 1fup n ASN 314 N 6.43 2.04 -3.92 -1.70 3.02 -1.26 -4.99 115.26 114.87 1fup n ASN 314 Ca 0.01 -1.51 -0.09 0.00 -0.03 0.00 0.00 54.58 52.95 1fup n ASN 314 Cb 0.48 0.44 -0.07 0.00 -0.61 0.00 0.00 39.78 40.02 1fup n ASN 314 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1fup s GLU 315 N -2.46 0.95 0.40 3.52 1.03 -1.26 -5.24 118.70 115.64 1fup s GLU 315 Ca 0.19 -1.07 -0.24 0.00 0.03 0.00 0.00 54.97 53.88 1fup s GLU 315 Cb 0.18 0.34 -0.09 0.00 -0.80 0.00 0.00 34.13 33.76 1fup s GLU 315 CO 0.56 -0.31 1.01 -1.25 -1.33 0.00 0.00 175.26 173.94 1fup s PRO 316 N -3.91 4.22 -0.61 -4.83 0.04 -1.26 -5.04 135.00 123.60 1fup s PRO 316 Ca 0.10 1.41 -0.01 0.00 0.04 0.00 0.00 61.00 62.54 1fup s PRO 316 Cb 0.05 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 32.09 1fup s PRO 316 CO -0.06 -0.07 0.58 -1.33 0.04 0.00 0.00 177.00 176.16 1fup n MET 321 N -0.12 -1.15 0.00 4.56 2.00 -1.26 -5.16 117.12 115.98 1fup n MET 321 Ca 0.05 1.37 0.00 0.00 0.00 0.00 0.00 57.70 59.12 1fup n MET 321 Cb 0.51 -5.09 0.00 0.00 0.00 0.00 0.00 33.22 28.64 1fup n MET 321 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 1fup n PRO 322 N -1.58 0.00 0.00 0.03 -0.02 -1.26 -3.33 135.00 128.84 1fup n PRO 322 Ca 0.01 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1fup n PRO 322 Cb 0.49 -1.16 0.00 0.00 -0.02 0.00 0.00 33.50 32.82 1fup n PRO 322 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fup n GLY 323 N -0.75 -0.38 3.58 -1.23 0.00 -1.26 -4.80 105.19 100.34 1fup n GLY 323 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.77 3.11 -0.32 1.61 2.20 -1.21 -4.49 119.74 118.87 1fup s LYS 324 Ca 0.00 0.91 0.02 0.00 -0.36 0.00 0.00 55.97 56.55 1fup s LYS 324 Cb 0.00 -4.23 0.09 0.00 -1.51 0.00 0.00 37.83 32.17 1fup s LYS 324 CO 0.00 -2.15 0.02 0.08 -0.36 0.00 0.00 175.35 172.95 1fup s VAL 325 N 7.35 2.47 0.20 4.02 1.01 -1.26 -5.08 120.40 129.10 1fup s VAL 325 Ca 0.68 -2.01 -0.30 0.00 0.00 0.00 0.00 61.98 60.35 1fup s VAL 325 Cb -0.16 -2.66 -0.08 0.00 0.00 0.00 0.00 36.38 33.48 1fup s VAL 325 CO 0.27 -0.41 1.13 0.20 0.00 0.00 0.00 175.10 176.30 1fup s ASN 326 N 1.12 7.20 -1.52 3.32 0.01 -1.26 -4.93 114.94 118.89 1fup s ASN 326 Ca 0.03 2.17 -0.10 0.00 -0.71 0.00 0.00 52.86 54.25 1fup s ASN 326 Cb -0.20 -2.61 -0.01 0.00 0.41 0.00 0.00 41.25 38.84 1fup s ASN 326 CO -0.06 -0.26 2.61 -0.81 -1.51 0.00 0.00 177.10 177.07 1fup n PRO 327 N 2.19 3.60 -0.35 -0.60 -0.04 -1.26 -4.77 135.00 133.78 1fup n PRO 327 Ca 0.03 -2.58 0.04 0.00 -0.04 0.00 0.00 63.50 60.94 1fup n PRO 327 Cb 0.45 -2.91 0.19 0.00 -0.04 0.00 0.00 33.50 31.19 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 3.26 1.00 -0.51 0.52 1.35 -1.96 -1.04 112.91 115.53 1fup h THR 328 Ca 0.74 -0.36 -0.05 0.00 -0.55 0.00 0.00 66.41 66.19 1fup h THR 328 Cb 0.40 -0.13 -0.02 0.00 -1.73 0.00 0.00 68.15 66.67 1fup h THR 328 CO 1.76 0.19 0.12 1.56 -0.25 0.00 0.00 175.52 178.90 1fup h GLN 329 N 1.04 0.78 -0.43 4.72 1.08 -1.93 -1.05 115.11 119.32 1fup h GLN 329 Ca 0.44 -0.16 -0.09 0.00 -1.45 0.00 0.00 58.65 57.39 1fup h GLN 329 Cb 0.30 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 1fup h GLN 329 CO -0.21 0.71 -0.11 0.00 -0.95 0.00 0.00 178.83 178.27 1fup h GLU 331 N 0.70 0.44 -0.17 0.00 5.08 -0.57 -1.15 114.58 118.92 1fup h GLU 331 Ca 0.12 -0.22 -0.09 0.00 -1.00 0.00 0.00 59.36 58.16 1fup h GLU 331 Cb 0.59 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1fup h GLU 331 CO 0.04 0.79 -0.25 0.00 -1.00 0.00 0.00 179.01 178.59 1fup h ALA 332 N 1.19 0.26 -0.17 3.43 0.00 -0.97 -2.56 119.26 120.44 1fup h ALA 332 Ca 0.03 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1fup h ALA 332 Cb 0.89 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1fup h ALA 332 CO 0.07 0.24 0.10 1.25 0.00 0.00 0.00 179.25 180.91 1fup h LEU 333 N 0.11 0.20 -0.87 0.00 5.85 -1.19 -1.53 115.31 117.88 1fup h LEU 333 Ca 0.02 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 1fup h LEU 333 Cb 0.82 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 1fup h LEU 333 CO 0.06 0.20 0.30 0.71 -0.34 0.00 0.00 178.44 179.36 1fup h THR 334 N 0.19 1.25 -0.59 1.05 1.35 -1.28 -1.78 112.91 113.11 1fup h THR 334 Ca 0.06 -0.80 -0.01 0.00 -0.55 0.00 0.00 66.41 65.11 1fup h THR 334 Cb 0.03 0.36 -0.03 0.00 -1.73 0.00 0.00 68.15 66.78 1fup h THR 334 CO -0.01 0.32 0.34 0.24 -0.25 0.00 0.00 175.52 176.17 1fup h MET 335 N 1.09 0.81 0.00 4.72 2.86 -1.16 -2.33 114.93 120.92 1fup h MET 335 Ca 0.25 -0.08 -0.05 0.00 -2.06 0.00 0.00 59.70 57.76 1fup h MET 335 Cb 0.21 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 1fup h MET 335 CO -0.02 0.59 -0.25 1.37 1.06 0.00 0.00 176.91 179.66 1fup h LEU 336 N 0.79 0.00 -0.78 1.22 8.10 -0.96 -2.71 115.31 120.97 1fup h LEU 336 Ca 0.21 0.00 -0.12 0.00 0.11 0.00 0.00 57.88 58.08 1fup h LEU 336 Cb 0.01 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.21 1fup h LEU 336 CO -0.04 0.25 -0.43 0.00 -4.11 0.00 0.00 178.44 174.11 1fup h GLN 339 N 0.34 0.70 -0.33 0.00 5.75 -1.16 -1.82 115.11 118.59 1fup h GLN 339 Ca 0.03 -0.16 -0.03 0.00 -0.15 0.00 0.00 58.65 58.35 1fup h GLN 339 Cb 0.87 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 29.31 1fup h GLN 339 CO 0.07 0.68 0.10 0.28 -2.65 0.00 0.00 178.83 177.31 1fup h VAL 340 N 0.58 1.15 -0.27 2.39 2.07 -1.14 0.72 116.25 121.75 1fup h VAL 340 Ca 0.14 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 1fup h VAL 340 Cb 0.28 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1fup h VAL 340 CO -0.00 0.19 0.04 -0.03 0.02 0.00 0.00 177.57 177.78 1fup h MET 341 N 0.47 0.46 -0.44 1.57 4.05 -1.04 -1.65 114.93 118.35 1fup h MET 341 Ca 0.11 -0.13 -0.13 0.00 -0.28 0.00 0.00 59.70 59.28 1fup h MET 341 Cb 0.16 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.89 1fup h MET 341 CO -0.01 0.58 -0.24 0.78 0.23 0.00 0.00 176.91 178.25 1fup h GLY 342 N 0.27 0.99 1.15 1.39 0.00 -0.88 -2.83 103.07 103.16 1fup h GLY 342 Ca 0.08 -0.89 0.06 0.00 0.00 0.00 0.00 47.33 46.58 1fup h GLY 342 CO 0.01 0.81 0.43 3.43 0.00 0.00 0.00 176.54 181.22 1fup h ASN 343 N 0.78 0.60 -0.80 0.19 2.35 -0.70 -1.86 115.58 116.16 1fup h ASN 343 Ca 0.10 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 1fup h ASN 343 Cb 0.81 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 39.01 1fup h ASN 343 CO 0.07 0.40 0.37 -0.78 -1.65 0.00 0.00 177.43 175.84 1fup h ASP 344 N 0.69 1.06 -0.47 5.81 3.58 -1.04 -1.13 116.42 124.91 1fup h ASP 344 Ca 0.28 -0.13 -0.10 0.00 0.42 0.00 0.00 57.03 57.50 1fup h ASP 344 Cb 0.22 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 1fup h ASP 344 CO -0.09 0.90 -0.08 0.58 -2.88 0.00 0.00 179.24 177.68 1fup h VAL 345 N 1.15 1.27 -0.65 2.25 2.07 -1.34 0.43 116.25 121.43 1fup h VAL 345 Ca 0.28 -1.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 1fup h VAL 345 Cb 0.13 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 1fup h VAL 345 CO -0.03 0.41 0.29 0.00 0.02 0.00 0.00 177.57 178.26 1fup h ALA 346 N 0.89 0.85 -0.57 1.67 0.00 -1.11 -1.52 119.26 119.47 1fup h ALA 346 Ca 0.12 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1fup h ALA 346 Cb 0.62 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1fup h ALA 346 CO 0.04 0.43 0.03 0.82 0.00 0.00 0.00 179.25 180.57 1fup h ILE 347 N 0.91 1.26 -0.28 0.00 2.04 -1.02 -2.28 117.51 118.15 1fup h ILE 347 Ca 0.22 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 1fup h ILE 347 Cb 0.15 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1fup h ILE 347 CO -0.02 0.39 0.14 0.78 0.00 0.00 0.00 178.15 179.44 1fup h ASN 348 N 0.87 0.36 -0.66 1.72 2.35 -0.67 0.19 115.58 119.74 1fup h ASN 348 Ca 0.16 -0.12 0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1fup h ASN 348 Cb 0.51 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.75 1fup h ASN 348 CO 0.02 0.38 0.43 0.24 -1.65 0.00 0.00 177.43 176.85 1fup h MET 349 N 0.33 0.85 -0.33 0.81 2.86 -1.13 -0.52 114.93 117.80 1fup h MET 349 Ca 0.10 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.56 1fup h MET 349 Cb 0.11 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 1fup h MET 349 CO -0.01 0.56 -0.33 0.78 1.06 0.00 0.00 176.91 178.98 1fup h GLY 350 N 0.88 0.78 1.57 8.32 0.00 -1.18 -2.77 103.07 110.66 1fup h GLY 350 Ca 0.25 -0.73 -0.09 0.00 0.00 0.00 0.00 47.33 46.76 1fup h GLY 350 CO -0.06 0.66 -0.21 -1.33 0.00 0.00 0.00 176.54 175.60 1fup h GLY 351 N 0.97 0.55 1.57 4.60 0.00 -0.11 -2.79 103.07 107.85 1fup h GLY 351 Ca 0.07 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1fup h GLY 351 CO 0.07 0.39 -0.08 0.00 0.00 0.00 0.00 176.54 176.93 1fup n ALA 352 N -2.49 2.59 -0.80 3.60 0.00 -0.25 -4.07 120.51 119.09 1fup n ALA 352 Ca -0.00 -0.17 0.07 0.00 0.00 0.00 0.00 53.44 53.34 1fup n ALA 352 Cb 0.38 -1.41 0.39 0.00 0.00 0.00 0.00 19.45 18.81 1fup n ALA 352 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1fup n SER 353 N -1.35 5.50 -4.76 0.00 7.64 -1.05 -4.99 113.62 114.60 1fup n SER 353 Ca 0.10 -2.85 -0.36 0.00 1.01 0.00 0.00 58.87 56.77 1fup n SER 353 Cb 0.30 -0.67 0.03 0.00 -1.01 0.00 0.00 64.21 62.85 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 -0.76 2.68 -0.16 0.23 0.00 -1.26 -4.79 107.32 103.27 1fup s GLY 354 Ca 0.52 0.94 -0.01 0.00 0.00 0.00 0.00 44.72 46.17 1fup s GLY 354 CO 0.16 1.32 -0.02 -1.31 0.00 0.00 0.00 173.10 173.24 1fup s ASN 355 N -1.68 2.67 1.96 1.64 -0.87 -1.20 -5.00 114.94 112.46 1fup s ASN 355 Ca 0.76 -0.62 0.00 0.00 -1.57 0.00 0.00 52.86 51.43 1fup s ASN 355 Cb -0.28 -0.77 0.00 0.00 -0.02 0.00 0.00 41.25 40.18 1fup s ASN 355 CO 0.32 -0.21 0.00 0.49 -2.57 0.00 0.00 177.10 175.12 1fup n PHE 356 N 4.95 0.00 0.88 2.20 3.72 -1.26 -3.02 117.46 124.93 1fup n PHE 356 Ca -0.10 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.43 1fup n PHE 356 Cb 0.48 0.00 0.52 0.00 -0.94 0.00 0.00 39.48 39.54 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 13.93 0.08 -3.76 -1.08 4.71 -1.26 -4.73 120.64 128.53 1fup n GLU 357 Ca 0.00 0.06 -0.13 0.00 -0.01 0.00 0.00 57.16 57.09 1fup n GLU 357 Cb 0.00 -1.59 -0.12 0.00 -1.01 0.00 0.00 31.44 28.72 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 -3.48 0.77 -0.30 -4.62 2.96 -1.17 -3.35 118.68 109.49 1fup s LEU 358 Ca 0.13 0.55 -0.19 0.00 -0.22 0.00 0.00 54.13 54.40 1fup s LEU 358 Cb 0.17 0.88 -0.01 0.00 0.50 0.00 0.00 46.19 47.73 1fup s LEU 358 CO 0.57 -0.12 0.56 0.21 -1.32 0.00 0.00 176.35 176.25 1fup s ASN 359 N 0.53 6.43 -0.69 3.68 3.84 -1.00 -3.25 114.94 124.48 1fup s ASN 359 Ca -0.03 0.36 0.01 0.00 0.21 0.00 0.00 52.86 53.40 1fup s ASN 359 Cb -0.05 -2.30 0.38 0.00 -0.55 0.00 0.00 41.25 38.74 1fup s ASN 359 CO -0.03 -0.41 1.71 1.33 -2.79 0.00 0.00 177.10 176.91 1fup n VAL 360 N 5.32 3.17 -1.24 -5.21 0.24 -1.26 -4.34 118.33 115.01 1fup n VAL 360 Ca -0.03 -4.42 0.03 0.00 -2.04 0.00 0.00 64.34 57.88 1fup n VAL 360 Cb 0.49 -1.24 0.04 0.00 -1.47 0.00 0.00 33.84 31.66 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 -0.55 0.00 -0.04 6.34 3.01 -1.14 -4.14 117.46 120.93 1fup n PHE 361 Ca 0.49 -0.38 -0.09 0.00 1.01 0.00 0.00 57.45 58.48 1fup n PHE 361 Cb 0.42 -0.07 -0.02 0.00 -0.01 0.00 0.00 39.48 39.79 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 0.15 -0.33 -1.08 3.08 -1.64 -2.51 114.38 112.06 1fup h ARG 362 Ca 0.00 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.08 1fup h ARG 362 Cb 1.07 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 31.05 1fup h ARG 362 CO 0.00 0.10 0.11 -1.35 -1.07 0.00 0.00 179.97 177.76 1fup h PRO 363 N 0.16 0.24 -0.73 0.04 0.11 -1.86 -1.12 132.00 128.84 1fup h PRO 363 Ca 0.09 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.21 1fup h PRO 363 Cb 0.06 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.08 1fup h PRO 363 CO -0.10 0.16 0.47 1.98 -0.21 0.00 0.00 178.00 180.30 1fup h MET 364 N 0.25 0.91 -0.07 1.05 1.85 -1.79 -0.59 114.93 116.54 1fup h MET 364 Ca 0.15 -0.05 -0.00 0.00 -0.61 0.00 0.00 59.70 59.18 1fup h MET 364 Cb 0.12 -0.20 -0.00 0.00 0.43 0.00 0.00 31.60 31.94 1fup h MET 364 CO -0.15 0.60 0.02 0.28 -0.40 0.00 0.00 176.91 177.26 1fup h VAL 365 N 0.94 1.15 0.00 -5.77 2.07 -1.14 -2.01 116.25 111.49 1fup h VAL 365 Ca 0.28 -0.46 -0.09 0.00 0.82 0.00 0.00 66.70 67.25 1fup h VAL 365 Cb -0.03 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1fup h VAL 365 CO -0.09 0.13 -0.42 -0.29 0.02 0.00 0.00 177.57 176.92 1fup h ILE 366 N -0.07 1.29 0.06 4.57 6.09 -1.04 -1.19 117.51 127.22 1fup h ILE 366 Ca 0.02 -1.45 -0.00 0.00 -1.37 0.00 0.00 64.86 62.05 1fup h ILE 366 Cb 0.19 1.79 0.00 0.00 0.47 0.00 0.00 36.82 39.26 1fup h ILE 366 CO -0.00 0.41 -0.03 -0.74 -3.07 0.00 0.00 178.15 174.72 1fup h HIS 367 N 0.00 -0.08 -0.59 2.19 2.76 -0.94 -1.08 115.15 117.42 1fup h HIS 367 Ca -0.00 -0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.06 1fup h HIS 367 Cb 0.75 0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.72 1fup h HIS 367 CO 0.00 0.07 -0.04 -0.91 -1.30 0.00 0.00 177.93 175.76 1fup h ASN 368 N -0.21 1.06 -0.01 3.26 4.21 -1.13 -2.53 115.58 120.22 1fup h ASN 368 Ca -0.01 -0.32 -0.00 0.00 1.21 0.00 0.00 56.30 57.18 1fup h ASN 368 Cb 0.18 -0.29 -0.00 0.00 -1.12 0.00 0.00 38.32 37.10 1fup h ASN 368 CO 0.01 1.13 0.00 0.15 -1.29 0.00 0.00 177.43 177.43 1fup h PHE 369 N 0.97 0.01 -0.02 1.19 3.04 -1.11 -1.96 116.94 119.06 1fup h PHE 369 Ca 0.16 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 62.04 1fup h PHE 369 Cb 0.61 -0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.10 1fup h PHE 369 CO 0.04 0.19 -0.34 -0.07 -2.02 0.00 0.00 178.31 176.11 1fup h LEU 370 N -0.16 0.04 -0.52 0.59 3.38 -1.25 -2.19 115.31 115.20 1fup h LEU 370 Ca 0.00 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1fup h LEU 370 Cb 0.18 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1fup h LEU 370 CO -0.00 0.38 -0.10 -0.61 0.09 0.00 0.00 178.44 178.20 1fup h GLN 371 N 0.03 0.99 -0.76 1.13 4.15 -1.28 -1.68 115.11 117.69 1fup h GLN 371 Ca 0.00 -0.36 -0.06 0.00 0.77 0.00 0.00 58.65 59.00 1fup h GLN 371 Cb 0.62 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.21 1fup h GLN 371 CO 0.05 1.04 0.26 0.77 -1.93 0.00 0.00 178.83 179.01 1fup h SER 372 N 0.86 1.08 -0.52 -0.69 0.02 -1.01 0.25 113.55 113.54 1fup h SER 372 Ca 0.14 -0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 1fup h SER 372 Cb 0.66 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1fup h SER 372 CO 0.05 0.99 0.16 0.58 -1.14 0.00 0.00 176.83 177.47 1fup h VAL 373 N 1.11 1.23 -0.18 2.27 2.07 -1.23 -0.56 116.25 120.96 1fup h VAL 373 Ca 0.25 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 1fup h VAL 373 Cb 0.28 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1fup h VAL 373 CO -0.01 0.29 0.10 0.03 0.02 0.00 0.00 177.57 177.99 1fup h ARG 374 N 0.71 0.26 -0.16 1.57 3.08 -0.96 -0.26 114.38 118.61 1fup h ARG 374 Ca 0.17 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.19 1fup h ARG 374 Cb 0.28 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1fup h ARG 374 CO -0.01 0.26 0.08 -0.07 -1.07 0.00 0.00 179.97 179.16 1fup h LEU 375 N 0.19 0.12 -0.20 3.04 3.38 -0.84 -0.75 115.31 120.25 1fup h LEU 375 Ca 0.06 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1fup h LEU 375 Cb 0.08 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1fup h LEU 375 CO -0.01 0.10 -0.06 -0.07 0.09 0.00 0.00 178.44 178.48 1fup h LEU 376 N 0.18 0.40 0.47 1.67 3.38 -1.00 0.13 115.31 120.53 1fup h LEU 376 Ca 0.06 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 1fup h LEU 376 Cb 0.01 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1fup h LEU 376 CO -0.04 0.69 -0.23 0.00 0.09 0.00 0.00 178.44 178.95 1fup h ALA 377 N 0.72 -0.63 -0.55 1.53 0.00 -1.02 -0.91 119.26 118.41 1fup h ALA 377 Ca 0.05 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1fup h ALA 377 Cb 0.52 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1fup h ALA 377 CO 0.02 -0.80 0.07 -0.44 0.00 0.00 0.00 179.25 178.10 1fup h ASP 378 N -0.73 0.84 -0.50 0.00 3.32 -1.19 -1.57 116.42 116.59 1fup h ASP 378 Ca -0.06 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 1fup h ASP 378 Cb 0.53 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1fup h ASP 378 CO 0.11 0.86 0.29 1.23 -1.72 0.00 0.00 179.24 180.01 1fup h GLY 379 N 1.00 0.73 1.28 2.75 0.00 -0.66 0.30 103.07 108.47 1fup h GLY 379 Ca 0.17 -0.32 -0.13 0.00 0.00 0.00 0.00 47.33 47.05 1fup h GLY 379 CO 0.01 0.31 -0.30 -0.33 0.00 0.00 0.00 176.54 176.23 1fup h MET 380 N 0.66 0.81 -0.43 4.80 2.86 -0.91 -0.55 114.93 122.17 1fup h MET 380 Ca 0.18 -0.37 -0.03 0.00 -2.06 0.00 0.00 59.70 57.42 1fup h MET 380 Cb 0.02 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1fup h MET 380 CO -0.03 1.00 0.17 1.49 1.06 0.00 0.00 176.91 180.60 1fup h GLU 381 N 0.69 0.65 -0.01 1.72 4.81 -1.00 -0.03 114.58 121.40 1fup h GLU 381 Ca 0.08 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1fup h GLU 381 Cb 0.84 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.11 1fup h GLU 381 CO 0.07 0.60 0.00 1.03 -0.73 0.00 0.00 179.01 179.98 1fup h SER 382 N 0.56 0.01 -0.99 1.04 0.87 -0.84 -2.12 113.55 112.07 1fup h SER 382 Ca 0.14 -0.27 0.02 0.00 -1.23 0.00 0.00 61.79 60.46 1fup h SER 382 Cb 0.20 -0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.10 1fup h SER 382 CO -0.01 0.27 0.66 0.15 -0.53 0.00 0.00 176.83 177.37 1fup h PHE 383 N -0.25 1.23 0.50 2.24 3.57 -1.05 0.58 116.94 123.75 1fup h PHE 383 Ca 0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1fup h PHE 383 Cb 0.27 -0.41 0.00 0.00 2.79 0.00 0.00 35.95 38.60 1fup h PHE 383 CO 0.02 0.74 -0.24 -0.97 -2.23 0.00 0.00 178.31 175.63 1fup h ASN 384 N 1.30 -0.56 0.67 0.41 -0.00 -0.92 -0.22 115.58 116.27 1fup h ASN 384 Ca 0.38 -0.06 -0.11 0.00 -0.00 0.00 0.00 56.30 56.51 1fup h ASN 384 Cb -0.07 0.15 -0.02 0.00 -0.00 0.00 0.00 38.32 38.38 1fup h ASN 384 CO -0.10 -0.25 -0.51 0.07 -0.00 0.00 0.00 177.43 176.63 1fup h LYS 385 N -0.89 0.00 -0.59 6.67 2.10 -1.26 -2.21 116.57 120.39 1fup h LYS 385 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 1fup h LYS 385 Cb 0.59 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 1fup h LYS 385 CO 0.11 0.51 0.00 0.72 -2.00 0.00 0.00 179.45 178.80 1fup n HIS 386 N -3.73 0.79 0.06 0.07 8.25 0.18 -4.77 115.22 116.07 1fup n HIS 386 Ca -0.01 -0.48 0.00 0.00 -0.26 0.00 0.00 57.72 56.97 1fup n HIS 386 Cb 0.56 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.66 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 0.81 0.00 0.00 0.00 -0.94 -0.51 119.26 118.63 1fup h ALA 388 Ca 0.00 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1fup h ALA 388 Cb 0.00 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1fup h ALA 388 CO 0.00 -0.42 -0.04 -0.39 0.00 0.00 0.00 179.25 178.40 1fup h VAL 389 N 0.11 0.17 -0.52 0.00 -1.51 -1.67 -3.03 116.25 109.80 1fup h VAL 389 Ca 0.42 -0.33 0.00 0.00 -1.23 0.00 0.00 66.70 65.55 1fup h VAL 389 Cb 0.74 1.28 0.00 0.00 -2.13 0.00 0.00 31.29 31.18 1fup h VAL 389 CO -0.66 0.04 0.00 0.61 -1.23 0.00 0.00 177.57 176.33 1fup n GLY 390 N -0.58 2.71 3.70 5.19 0.00 -0.21 -5.00 105.19 111.00 1fup n GLY 390 Ca -0.01 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.12 2.63 0.01 -0.61 1.01 -1.14 -4.43 121.20 117.54 1fup s ILE 391 Ca 0.36 0.22 0.04 0.00 0.00 0.00 0.00 60.65 61.27 1fup s ILE 391 Cb 0.19 -3.14 -0.01 0.00 0.01 0.00 0.00 42.46 39.51 1fup s ILE 391 CO 0.23 0.00 -0.13 -1.61 0.00 0.00 0.00 174.94 173.44 1fup s GLU 392 N 2.32 0.96 0.24 2.79 0.41 -0.60 -4.99 118.70 119.83 1fup s GLU 392 Ca 0.77 -0.55 -0.28 0.00 -0.41 0.00 0.00 54.97 54.50 1fup s GLU 392 Cb -0.44 -0.94 -0.09 0.00 -1.78 0.00 0.00 34.13 30.88 1fup s GLU 392 CO 0.34 0.25 0.89 -1.25 -0.49 0.00 0.00 175.26 175.00 1fup s PRO 393 N -0.59 4.72 -1.18 0.39 0.04 -1.26 -0.18 135.00 136.94 1fup s PRO 393 Ca 0.03 1.36 -0.10 0.00 0.04 0.00 0.00 61.00 62.33 1fup s PRO 393 Cb -0.06 -3.17 0.22 0.00 0.04 0.00 0.00 34.50 31.53 1fup s PRO 393 CO 0.00 0.48 1.46 0.09 0.04 0.00 0.00 177.00 179.07 1fup n ASN 394 N 1.31 5.49 -0.35 6.66 3.02 0.16 -4.86 115.26 126.71 1fup n ASN 394 Ca -0.02 -3.10 0.26 0.00 -0.03 0.00 0.00 54.58 51.69 1fup n ASN 394 Cb 0.48 -1.45 0.51 0.00 -0.61 0.00 0.00 39.78 38.71 1fup n ASN 394 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1fup h ARG 395 N 6.39 0.27 -0.14 3.52 3.08 -1.94 -0.53 114.38 125.03 1fup h ARG 395 Ca 0.28 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.27 1fup h ARG 395 Cb 0.77 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.76 1fup h ARG 395 CO 1.28 0.18 -0.09 1.05 -1.07 0.00 0.00 179.97 181.33 1fup h GLU 396 N 0.28 0.31 -0.54 0.04 -0.00 -1.97 -2.15 114.58 110.56 1fup h GLU 396 Ca 0.74 -0.14 -0.03 0.00 -0.00 0.00 0.00 59.36 59.93 1fup h GLU 396 Cb 1.82 -0.01 -0.02 0.00 -0.00 0.00 0.00 28.75 30.54 1fup h GLU 396 CO -0.56 0.65 0.24 -0.09 -0.00 0.00 0.00 179.01 179.25 1fup h ARG 397 N -0.03 0.79 -0.08 1.06 9.65 -1.54 -0.27 114.38 123.96 1fup h ARG 397 Ca 0.03 -0.13 0.03 0.00 -1.10 0.00 0.00 59.98 58.81 1fup h ARG 397 Cb 0.57 -0.14 -0.04 0.00 -1.39 0.00 0.00 29.97 28.98 1fup h ARG 397 CO 0.02 0.67 -0.13 0.82 2.80 0.00 0.00 179.97 184.16 1fup h ILE 398 N 0.73 0.66 -0.23 1.20 2.04 -1.15 -0.57 117.51 120.19 1fup h ILE 398 Ca 0.18 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.99 1fup h ILE 398 Cb 0.16 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1fup h ILE 398 CO -0.02 0.00 -0.11 0.78 0.00 0.00 0.00 178.15 178.80 1fup h ASN 399 N -0.18 0.35 -0.32 1.72 2.35 -1.15 -1.74 115.58 116.62 1fup h ASN 399 Ca 0.07 -0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 1fup h ASN 399 Cb 0.28 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1fup h ASN 399 CO -0.18 0.49 0.08 -0.61 -1.65 0.00 0.00 177.43 175.56 1fup h GLN 400 N 0.35 0.51 -0.18 0.81 4.15 -0.41 -2.20 115.11 118.13 1fup h GLN 400 Ca 0.07 -0.12 0.01 0.00 0.77 0.00 0.00 58.65 59.38 1fup h GLN 400 Cb 0.41 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 1fup h GLN 400 CO 0.02 0.58 0.08 -0.07 -1.93 0.00 0.00 178.83 177.51 1fup h LEU 401 N 0.35 0.12 -0.15 -2.39 3.38 -0.53 -2.37 115.31 113.73 1fup h LEU 401 Ca 0.10 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.12 1fup h LEU 401 Cb 0.30 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 1fup h LEU 401 CO 0.00 0.10 -0.13 -0.07 0.09 0.00 0.00 178.44 178.43 1fup h LEU 402 N 0.18 -0.41 -1.56 1.67 3.38 -1.23 -2.07 115.31 115.28 1fup h LEU 402 Ca 0.07 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1fup h LEU 402 Cb 0.02 0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1fup h LEU 402 CO -0.06 -0.17 0.00 0.78 0.09 0.00 0.00 178.44 179.08 1fup h ASN 403 N -0.15 0.00 0.27 -0.43 2.35 -1.28 -2.53 115.58 113.82 1fup h ASN 403 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1fup h ASN 403 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1fup h ASN 403 CO -0.24 0.00 -0.74 -0.62 -1.65 0.00 0.00 177.43 174.19 1fup n GLU 404 N -2.71 0.01 -2.44 0.81 1.02 -0.82 -4.65 120.64 111.85 1fup n GLU 404 Ca -0.00 -0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 1fup n GLU 404 Cb 0.19 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.10 1fup n GLU 404 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1fup s SER 405 N -3.02 6.38 0.00 1.62 1.04 -0.95 -4.91 113.70 113.87 1fup s SER 405 Ca 0.09 1.23 0.25 0.00 0.48 0.00 0.00 55.95 58.00 1fup s SER 405 Cb 0.17 -2.37 0.43 0.00 0.10 0.00 0.00 66.02 64.34 1fup s SER 405 CO 0.78 -0.61 1.36 0.18 0.98 0.00 0.00 173.24 175.92 1fup n LEU 406 N -2.03 1.20 0.00 2.42 4.77 -1.26 -4.37 117.00 117.73 1fup n LEU 406 Ca 0.04 -0.37 0.07 0.00 -0.03 0.00 0.00 56.01 55.72 1fup n LEU 406 Cb 0.54 -0.10 0.33 0.00 -2.33 0.00 0.00 43.42 41.86 1fup n LEU 406 CO 0.52 0.24 0.74 0.23 -1.33 0.00 0.00 177.39 177.78 1fup n MET 407 N -0.70 0.01 0.00 3.23 2.81 -1.26 -3.03 117.12 118.17 1fup n MET 407 Ca 0.10 0.23 0.13 0.00 -1.81 0.00 0.00 57.70 56.35 1fup n MET 407 Cb 0.38 -1.50 0.33 0.00 -0.71 0.00 0.00 33.22 31.71 1fup n MET 407 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1fup n LEU 408 N -1.49 1.16 0.19 4.03 4.77 -1.26 -4.25 117.00 120.14 1fup n LEU 408 Ca 0.04 -0.33 0.18 0.00 -0.03 0.00 0.00 56.01 55.87 1fup n LEU 408 Cb 0.18 -0.11 0.82 0.00 -2.33 0.00 0.00 43.42 41.98 1fup n LEU 408 CO 0.14 0.22 1.16 1.62 -1.33 0.00 0.00 177.39 179.19 1fup h VAL 409 N 1.36 0.40 -0.91 4.08 3.04 -1.87 -2.13 116.25 120.21 1fup h VAL 409 Ca 0.00 0.00 0.21 0.00 -1.01 0.00 0.00 66.70 65.90 1fup h VAL 409 Cb 0.54 0.78 -0.07 0.00 -2.01 0.00 0.00 31.29 30.53 1fup h VAL 409 CO 0.00 0.00 0.61 0.74 -1.01 0.00 0.00 177.57 177.91 1fup h THR 410 N 0.00 0.66 0.00 3.17 2.02 -1.86 0.08 112.91 116.97 1fup h THR 410 Ca 0.11 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1fup h THR 410 Cb 0.65 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1fup h THR 410 CO -0.00 0.07 0.00 0.00 0.37 0.00 0.00 175.52 175.96 1fup h ALA 411 N 1.61 1.00 0.00 6.16 0.00 -1.73 -2.70 119.26 123.60 1fup h ALA 411 Ca 0.47 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 55.22 1fup h ALA 411 Cb 1.24 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1fup h ALA 411 CO -0.17 0.00 -0.99 -0.07 0.00 0.00 0.00 179.25 178.02 1fup h LEU 412 N 0.00 0.00 -0.77 0.00 3.38 -1.18 -3.39 115.31 113.35 1fup h LEU 412 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 1fup h LEU 412 Cb 0.26 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.88 1fup h LEU 412 CO 0.00 0.68 -0.37 0.78 0.09 0.00 0.00 178.44 179.62 1fup h ASN 413 N 0.00 -1.34 0.36 -0.43 4.21 -1.57 0.84 115.58 117.65 1fup h ASN 413 Ca -0.08 0.27 0.00 0.00 1.21 0.00 0.00 56.30 57.70 1fup h ASN 413 Cb 1.59 0.67 0.00 0.00 -1.12 0.00 0.00 38.32 39.46 1fup h ASN 413 CO 0.08 -0.30 0.00 0.71 -1.29 0.00 0.00 177.43 176.63 1fup h THR 414 N -0.10 0.00 0.00 2.81 1.35 -1.79 0.65 112.91 115.84 1fup h THR 414 Ca 0.27 -0.14 -0.40 0.00 -0.55 0.00 0.00 66.41 65.59 1fup h THR 414 Cb 0.57 0.84 -0.07 0.00 -1.73 0.00 0.00 68.15 67.77 1fup h THR 414 CO -0.82 0.00 -2.43 1.41 -0.25 0.00 0.00 175.52 173.43 1fup n HIS 415 N -2.48 0.00 0.07 4.73 8.25 0.16 -4.75 115.22 121.21 1fup n HIS 415 Ca -0.00 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.47 1fup n HIS 415 Cb 0.14 -0.95 0.02 0.00 1.12 0.00 0.00 29.99 30.32 1fup n HIS 415 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1fup n ILE 416 N -3.59 0.29 0.00 1.59 -5.35 -0.43 -5.12 119.36 106.76 1fup n ILE 416 Ca -0.47 -0.65 0.00 0.00 -0.27 0.00 0.00 62.75 61.36 1fup n ILE 416 Cb 0.93 0.90 0.00 0.00 -1.74 0.00 0.00 39.64 39.73 1fup n ILE 416 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1fup n GLY 417 N 0.05 -0.32 0.27 3.28 0.00 0.22 -4.45 105.19 104.24 1fup n GLY 417 Ca 0.02 -1.60 -0.08 0.00 0.00 0.00 0.00 46.02 44.36 1fup n GLY 417 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1fup h TYR 418 N 0.00 0.94 -0.42 1.61 5.03 -1.91 -2.84 116.97 119.37 1fup h TYR 418 Ca 0.00 -0.10 0.00 0.00 2.58 0.00 0.00 58.73 61.21 1fup h TYR 418 Cb 0.00 -0.27 -0.02 0.00 1.55 0.00 0.00 36.73 37.99 1fup h TYR 418 CO 0.00 0.79 0.28 -0.44 -1.32 0.00 0.00 178.16 177.47 1fup h ASP 419 N 0.81 0.48 -0.29 -2.11 3.32 -1.96 -0.08 116.42 116.59 1fup h ASP 419 Ca 0.18 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.09 1fup h ASP 419 Cb 0.31 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1fup h ASP 419 CO -0.00 0.35 -0.29 0.11 -1.72 0.00 0.00 179.24 177.68 1fup h LYS 420 N 0.57 0.80 -0.18 3.56 1.57 -1.77 -1.93 116.57 119.18 1fup h LYS 420 Ca 0.15 -0.36 -0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1fup h LYS 420 Cb -0.06 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1fup h LYS 420 CO -0.03 0.99 0.10 0.00 -0.57 0.00 0.00 179.45 179.94 1fup h ALA 421 N 0.99 0.23 -0.32 3.86 0.00 -1.26 -1.28 119.26 121.47 1fup h ALA 421 Ca 0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1fup h ALA 421 Cb 0.83 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1fup h ALA 421 CO 0.07 -0.24 0.05 0.00 0.00 0.00 0.00 179.25 179.13 1fup h ALA 422 N 1.00 1.49 -0.43 0.00 0.00 -0.95 -1.01 119.26 119.36 1fup h ALA 422 Ca 0.06 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1fup h ALA 422 Cb 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1fup h ALA 422 CO -0.01 0.37 0.07 1.49 0.00 0.00 0.00 179.25 181.17 1fup h GLU 423 N 0.47 0.72 -0.37 0.00 4.81 -0.81 -0.46 114.58 118.93 1fup h GLU 423 Ca 0.11 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1fup h GLU 423 Cb 0.22 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1fup h GLU 423 CO 0.00 0.75 0.21 0.82 -0.73 0.00 0.00 179.01 180.06 1fup h ILE 424 N 0.58 1.14 -0.57 2.32 2.04 -0.60 -0.47 117.51 121.95 1fup h ILE 424 Ca 0.13 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.67 1fup h ILE 424 Cb 0.38 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 1fup h ILE 424 CO 0.01 0.14 0.35 0.00 0.00 0.00 0.00 178.15 178.64 1fup h ALA 425 N 1.07 0.73 -0.37 1.87 0.00 -1.01 -0.10 119.26 121.45 1fup h ALA 425 Ca 0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1fup h ALA 425 Cb 0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1fup h ALA 425 CO -0.02 0.07 0.14 0.87 0.00 0.00 0.00 179.25 180.31 1fup h LYS 426 N 0.68 0.56 0.61 0.00 1.57 -0.76 -0.86 116.57 118.37 1fup h LYS 426 Ca 0.23 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1fup h LYS 426 Cb 0.02 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.25 1fup h LYS 426 CO -0.10 0.54 -0.30 -0.22 -0.57 0.00 0.00 179.45 178.81 1fup h LYS 427 N 0.45 -0.80 -0.82 3.15 3.64 -0.73 0.82 116.57 122.28 1fup h LYS 427 Ca 0.12 0.05 0.12 0.00 -1.27 0.00 0.00 60.65 59.68 1fup h LYS 427 Cb 0.20 0.18 -0.08 0.00 -0.41 0.00 0.00 32.23 32.12 1fup h LYS 427 CO -0.01 -0.53 0.43 0.00 -2.27 0.00 0.00 179.45 177.07 1fup h ALA 428 N -0.43 1.19 -0.29 5.00 0.00 -1.00 0.70 119.26 124.43 1fup h ALA 428 Ca -0.08 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1fup h ALA 428 Cb 0.64 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1fup h ALA 428 CO 0.14 -0.01 -0.06 1.25 0.00 0.00 0.00 179.25 180.57 1fup h HIS 429 N 0.68 0.62 -0.14 0.00 -0.00 -0.90 0.56 115.15 115.97 1fup h HIS 429 Ca 0.42 -0.13 -0.14 0.00 -0.00 0.00 0.00 60.37 60.52 1fup h HIS 429 Cb 0.50 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.75 1fup h HIS 429 CO -0.08 0.74 -0.53 0.87 -0.00 0.00 0.00 177.93 178.92 1fup h LYS 430 N 0.32 0.40 -0.05 5.26 6.56 -0.17 -3.28 116.57 125.62 1fup h LYS 430 Ca 0.08 -0.25 0.00 0.00 -1.06 0.00 0.00 60.65 59.42 1fup h LYS 430 Cb 0.53 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.21 1fup h LYS 430 CO 0.03 0.84 0.00 0.39 -2.06 0.00 0.00 179.45 178.64 1fup n GLU 431 N -3.95 2.26 -2.96 3.15 1.02 0.18 -4.98 120.64 115.36 1fup n GLU 431 Ca -0.02 -1.83 -0.12 0.00 -0.02 0.00 0.00 57.16 55.17 1fup n GLU 431 Cb 0.58 -1.46 0.05 0.00 -0.02 0.00 0.00 31.44 30.59 1fup n GLU 431 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1fup n GLY 432 N 1.34 -0.03 3.52 0.62 0.00 -0.22 -5.03 105.19 105.38 1fup n GLY 432 Ca 0.15 -0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 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 -4.73 2.68 0.65 0.99 1.43 0.02 -5.05 118.68 114.67 1fup s LEU 433 Ca 0.10 -1.14 -0.11 0.00 -1.03 0.00 0.00 54.13 51.96 1fup s LEU 433 Cb -0.04 -1.04 -0.01 0.00 0.03 0.00 0.00 46.19 45.13 1fup s LEU 433 CO 0.45 -0.11 1.04 0.42 0.23 0.00 0.00 176.35 178.37 1fup s THR 434 N -2.57 4.11 0.23 5.49 -4.23 -1.26 -4.52 115.64 112.88 1fup s THR 434 Ca 0.32 0.61 -0.07 0.00 -1.18 0.00 0.00 61.69 61.36 1fup s THR 434 Cb -0.00 -3.67 0.18 0.00 1.34 0.00 0.00 72.50 70.35 1fup s THR 434 CO 0.16 -0.86 1.84 -0.07 -0.54 0.00 0.00 174.62 175.15 1fup h LEU 435 N -0.43 0.73 -0.45 4.79 3.38 -1.82 -1.46 115.31 120.05 1fup h LEU 435 Ca -0.45 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.52 1fup h LEU 435 Cb 1.22 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1fup h LEU 435 CO 0.63 0.47 0.20 0.50 0.09 0.00 0.00 178.44 180.32 1fup h LYS 436 N 0.86 0.66 -0.19 1.13 3.64 -1.93 -0.34 116.57 120.41 1fup h LYS 436 Ca 0.34 -0.11 0.01 0.00 -1.27 0.00 0.00 60.65 59.62 1fup h LYS 436 Cb 0.16 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1fup h LYS 436 CO -0.17 0.58 0.09 0.00 -2.27 0.00 0.00 179.45 177.68 1fup h ALA 437 N 1.04 0.22 -0.41 5.00 0.00 -1.81 -0.63 119.26 122.68 1fup h ALA 437 Ca 0.15 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1fup h ALA 437 Cb 0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1fup h ALA 437 CO -0.02 -0.33 0.19 0.00 0.00 0.00 0.00 179.25 179.09 1fup h ALA 438 N 1.10 0.52 -0.65 0.00 0.00 -1.13 -0.17 119.26 118.93 1fup h ALA 438 Ca 0.08 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1fup h ALA 438 Cb 0.02 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 1fup h ALA 438 CO -0.06 0.09 0.39 0.00 0.00 0.00 0.00 179.25 179.67 1fup h ALA 439 N 1.04 0.86 -0.18 0.00 0.00 -0.80 -2.25 119.26 117.94 1fup h ALA 439 Ca 0.14 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 1fup h ALA 439 Cb 0.13 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1fup h ALA 439 CO -0.02 0.11 -0.63 -0.07 0.00 0.00 0.00 179.25 178.65 1fup h LEU 440 N 0.75 0.72 -1.39 0.00 4.07 -0.95 -1.28 115.31 117.22 1fup h LEU 440 Ca 0.27 -0.42 -0.02 0.00 0.08 0.00 0.00 57.88 57.79 1fup h LEU 440 Cb 0.08 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.59 1fup h LEU 440 CO -0.13 1.17 0.15 0.00 -1.08 0.00 0.00 178.44 178.55 1fup h ALA 441 N 0.83 1.53 0.00 1.53 0.00 -0.71 -2.04 119.26 120.40 1fup h ALA 441 Ca -0.01 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.59 1fup h ALA 441 Cb 1.21 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1fup h ALA 441 CO 0.12 0.37 -1.01 -0.07 0.00 0.00 0.00 179.25 178.66 1fup h LEU 442 N 0.56 0.00 0.00 0.00 4.07 -1.36 -3.48 115.31 115.10 1fup h LEU 442 Ca 0.14 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.10 1fup h LEU 442 Cb 0.12 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.86 1fup h LEU 442 CO -0.01 0.85 0.00 0.61 -1.08 0.00 0.00 178.44 178.80 1fup n GLY 443 N 1.35 0.38 0.16 0.83 0.00 -0.52 -4.95 105.19 102.44 1fup n GLY 443 Ca -0.03 -0.94 0.13 0.00 0.00 0.00 0.00 46.02 45.18 1fup n GLY 443 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1fup h TYR 444 N 0.00 0.00 -2.50 1.61 0.05 -1.73 -3.47 116.97 110.92 1fup h TYR 444 Ca 0.00 0.00 0.15 0.00 0.05 0.00 0.00 58.73 58.93 1fup h TYR 444 Cb 0.73 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.40 1fup h TYR 444 CO 0.00 0.00 0.43 -0.48 -1.05 0.00 0.00 178.16 177.06 1fup s LEU 445 N -5.24 -0.17 0.37 3.88 2.34 -1.26 -5.05 118.68 113.54 1fup s LEU 445 Ca 0.08 -0.49 0.02 0.00 0.06 0.00 0.00 54.13 53.80 1fup s LEU 445 Cb 0.09 2.29 -0.02 0.00 -0.56 0.00 0.00 46.19 47.99 1fup s LEU 445 CO 0.61 -1.03 0.56 -0.94 -1.06 0.00 0.00 176.35 174.50 1fup s SER 446 N -2.98 6.08 0.25 1.48 1.04 -1.26 -4.59 113.70 113.72 1fup s SER 446 Ca 0.13 0.26 -0.05 0.00 0.48 0.00 0.00 55.95 56.77 1fup s SER 446 Cb -0.02 -1.71 0.29 0.00 0.10 0.00 0.00 66.02 64.67 1fup s SER 446 CO 0.04 -0.44 1.88 -0.08 0.98 0.00 0.00 173.24 175.61 1fup h GLU 447 N 0.68 1.17 -0.34 4.02 4.81 -1.99 -0.91 114.58 122.03 1fup h GLU 447 Ca -0.48 -0.13 0.02 0.00 -0.13 0.00 0.00 59.36 58.63 1fup h GLU 447 Cb 1.24 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 1fup h GLU 447 CO 0.58 0.86 0.19 0.00 -0.73 0.00 0.00 179.01 179.91 1fup h ALA 448 N 1.33 0.42 -0.70 2.92 0.00 -1.99 -0.53 119.26 120.71 1fup h ALA 448 Ca 0.30 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1fup h ALA 448 Cb 0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1fup h ALA 448 CO -0.05 -0.17 0.41 0.93 0.00 0.00 0.00 179.25 180.36 1fup h GLU 449 N 0.38 0.95 0.08 0.00 5.08 -1.81 -1.01 114.58 118.26 1fup h GLU 449 Ca 0.14 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1fup h GLU 449 Cb 0.02 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1fup h GLU 449 CO -0.07 0.69 -0.14 0.35 -1.00 0.00 0.00 179.01 178.84 1fup h PHE 450 N 0.95 -0.35 -0.55 4.33 3.04 -0.61 0.11 116.94 123.86 1fup h PHE 450 Ca 0.25 0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.28 1fup h PHE 450 Cb -0.00 0.15 -0.03 0.00 2.56 0.00 0.00 35.95 38.62 1fup h PHE 450 CO -0.01 -0.21 0.37 -0.44 -2.02 0.00 0.00 178.31 176.00 1fup h ASP 451 N -0.27 0.37 0.71 0.41 3.32 -0.71 -0.25 116.42 120.00 1fup h ASP 451 Ca 0.02 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.82 1fup h ASP 451 Cb 0.29 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1fup h ASP 451 CO -0.08 0.23 -1.31 0.28 -1.72 0.00 0.00 179.24 176.64 1fup h SER 452 N 0.42 0.15 0.06 6.45 0.02 -0.69 -3.40 113.55 116.56 1fup h SER 452 Ca 0.25 -0.19 -0.11 0.00 -0.84 0.00 0.00 61.79 60.90 1fup h SER 452 Cb 0.44 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1fup h SER 452 CO -0.07 1.15 -0.53 -0.50 -1.14 0.00 0.00 176.83 175.75 1fup h TRP 453 N 0.03 0.24 -2.12 3.45 6.55 0.01 -3.41 115.95 120.69 1fup h TRP 453 Ca -0.14 -0.17 -0.70 0.00 0.95 0.00 0.00 58.89 58.83 1fup h TRP 453 Cb 1.91 -0.01 -0.16 0.00 -0.86 0.00 0.00 29.16 30.03 1fup h TRP 453 CO 0.02 1.20 1.14 0.54 -1.05 0.00 0.00 178.44 180.30 1fup s VAL 454 N -2.33 4.72 -0.53 1.49 0.11 -0.18 -4.84 120.40 118.84 1fup s VAL 454 Ca -0.18 -1.87 -0.09 0.00 -2.93 0.00 0.00 61.98 56.91 1fup s VAL 454 Cb -0.00 -4.87 0.14 0.00 -1.53 0.00 0.00 36.38 30.11 1fup s VAL 454 CO 0.74 -1.61 0.41 -0.13 -3.33 0.00 0.00 175.10 171.18 1fup s ARG 455 N 2.62 2.63 0.64 1.54 1.81 -1.26 -4.88 118.95 122.04 1fup s ARG 455 Ca 0.38 -1.94 0.31 0.00 -1.72 0.00 0.00 55.73 52.77 1fup s ARG 455 Cb -0.03 -3.97 1.72 0.00 -0.45 0.00 0.00 34.95 32.22 1fup s ARG 455 CO -0.05 -1.21 2.01 -1.00 -0.68 0.00 0.00 175.30 174.37 1fup h PRO 456 N 8.21 0.00 0.00 3.54 0.13 -1.98 -1.15 132.00 140.75 1fup h PRO 456 Ca -0.15 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.96 1fup h PRO 456 Cb 1.05 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 1fup h PRO 456 CO 0.84 0.00 -0.07 1.05 -0.23 0.00 0.00 178.00 179.58 1fup h GLU 457 N 0.00 0.00 -1.16 0.86 9.09 -1.97 -2.62 114.58 118.78 1fup h GLU 457 Ca 0.06 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 58.93 1fup h GLU 457 Cb 0.63 0.00 -0.24 0.00 -1.65 0.00 0.00 28.75 27.49 1fup h GLU 457 CO -0.00 0.07 0.69 0.00 0.05 0.00 0.00 179.01 179.82 1fup n GLN 458 N -3.43 2.32 0.00 1.06 -0.00 -0.44 -5.11 117.38 111.78 1fup n GLN 458 Ca -0.02 -2.63 0.14 0.00 -0.00 0.00 0.00 57.00 54.49 1fup n GLN 458 Cb 0.22 -2.03 0.83 0.00 -0.00 0.00 0.00 30.24 29.26 1fup n GLN 458 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06