#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nup s ARG 4 N 0.00 4.35 -0.19 4.33 0.52 -1.26 -4.98 118.95 121.72 1nup s ARG 4 Ca 0.00 1.09 -0.28 0.00 -0.52 0.00 0.00 55.73 56.02 1nup s ARG 4 Cb 0.00 -2.60 0.00 0.00 0.52 0.00 0.00 34.95 32.87 1nup s ARG 4 CO 0.00 0.20 0.99 0.42 0.02 0.00 0.00 175.30 176.94 1nup s ILE 5 N -1.80 4.74 0.22 1.52 1.01 0.01 -4.70 121.20 122.20 1nup s ILE 5 Ca 0.52 1.95 -0.30 0.00 0.00 0.00 0.00 60.65 62.83 1nup s ILE 5 Cb -0.15 -4.28 -0.09 0.00 0.01 0.00 0.00 42.46 37.95 1nup s ILE 5 CO 0.19 -0.10 1.39 -2.84 0.00 0.00 0.00 174.94 173.59 1nup s PRO 6 N 2.74 4.31 -0.01 2.79 0.02 -1.26 -0.99 135.00 142.60 1nup s PRO 6 Ca 0.44 2.20 0.04 0.00 0.02 0.00 0.00 61.00 63.70 1nup s PRO 6 Cb -0.16 -3.15 -0.01 0.00 0.02 0.00 0.00 34.50 31.20 1nup s PRO 6 CO 0.10 -0.37 -0.13 0.08 -0.33 0.00 0.00 177.00 176.35 1nup s VAL 7 N 0.17 1.06 -0.10 3.83 1.01 0.33 -0.19 120.40 126.50 1nup s VAL 7 Ca 0.59 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 62.01 1nup s VAL 7 Cb -0.40 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 1nup s VAL 7 CO 0.40 0.28 -0.19 -0.69 0.00 0.00 0.00 175.10 174.90 1nup s VAL 8 N -0.34 2.55 -0.17 2.92 1.01 -0.42 -0.02 120.40 125.92 1nup s VAL 8 Ca 0.05 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 1nup s VAL 8 Cb -0.05 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 1nup s VAL 8 CO -0.00 0.55 0.00 -0.76 0.00 0.00 0.00 175.10 174.89 1nup s LEU 9 N 0.17 3.43 -0.16 3.92 1.43 -0.17 -1.40 118.68 125.89 1nup s LEU 9 Ca -0.11 -0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 52.90 1nup s LEU 9 Cb -0.16 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 1nup s LEU 9 CO 0.06 0.14 -0.11 -0.22 0.23 0.00 0.00 176.35 176.46 1nup s LEU 10 N 0.53 2.75 -0.23 1.79 2.96 -0.37 -0.15 118.68 125.95 1nup s LEU 10 Ca -0.01 -0.36 -0.02 0.00 -0.22 0.00 0.00 54.13 53.52 1nup s LEU 10 Cb -0.14 -1.65 0.01 0.00 0.50 0.00 0.00 46.19 44.92 1nup s LEU 10 CO 0.02 0.10 -0.07 0.00 -1.32 0.00 0.00 176.35 175.08 1nup s ALA 11 N 0.73 2.70 -0.21 5.97 0.00 0.42 0.12 121.76 131.49 1nup s ALA 11 Ca -0.05 -1.31 -0.07 0.00 0.00 0.00 0.00 51.96 50.53 1nup s ALA 11 Cb -0.15 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.30 1nup s ALA 11 CO 0.02 -0.60 0.06 0.00 0.00 0.00 0.00 175.76 175.24 1nup n GLY 13 N 4.15 0.56 0.23 0.00 0.00 -1.15 -5.01 105.19 103.97 1nup n GLY 13 Ca -0.16 -1.11 -0.16 0.00 0.00 0.00 0.00 46.02 44.59 1nup n GLY 13 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1nup h SER 14 N 1.81 0.92 -6.68 1.61 0.02 -1.93 0.14 113.55 109.44 1nup h SER 14 Ca -0.24 -0.58 -0.50 0.00 -0.84 0.00 0.00 61.79 59.63 1nup h SER 14 Cb 1.09 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 63.37 1nup h SER 14 CO 0.32 1.37 -0.98 0.49 -1.14 0.00 0.00 176.83 176.90 1nup n PHE 15 N -3.95 -1.78 -3.13 3.45 3.01 -1.26 -4.42 117.46 109.39 1nup n PHE 15 Ca -0.06 0.45 -0.25 0.00 1.01 0.00 0.00 57.45 58.59 1nup n PHE 15 Cb 0.72 -2.95 -0.05 0.00 -0.01 0.00 0.00 39.48 37.18 1nup n PHE 15 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1nup n ASN 16 N -2.38 3.18 -4.95 4.37 5.15 -1.26 -3.43 115.26 115.94 1nup n ASN 16 Ca -0.17 -3.40 -0.20 0.00 -0.60 0.00 0.00 54.58 50.21 1nup n ASN 16 Cb 0.61 -0.61 0.05 0.00 -0.53 0.00 0.00 39.78 39.30 1nup n ASN 16 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1nup s PRO 17 N -2.82 2.41 0.45 1.20 0.04 -1.26 -4.83 135.00 130.18 1nup s PRO 17 Ca 0.44 -1.25 -0.25 0.00 0.04 0.00 0.00 61.00 59.99 1nup s PRO 17 Cb 0.25 -2.59 -0.08 0.00 0.04 0.00 0.00 34.50 32.12 1nup s PRO 17 CO -0.10 -0.75 1.31 -1.50 0.04 0.00 0.00 177.00 176.00 1nup s ILE 18 N -2.67 2.53 0.35 0.56 2.07 -1.22 -4.89 121.20 117.92 1nup s ILE 18 Ca 0.60 0.44 0.04 0.00 -1.41 0.00 0.00 60.65 60.32 1nup s ILE 18 Cb -0.08 -3.25 -0.05 0.00 0.13 0.00 0.00 42.46 39.21 1nup s ILE 18 CO 0.38 0.04 0.08 0.42 -1.91 0.00 0.00 174.94 173.95 1nup s THR 19 N -1.31 0.99 0.49 4.00 -4.23 -1.26 -4.78 115.64 109.55 1nup s THR 19 Ca 0.61 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.34 1nup s THR 19 Cb -0.38 -2.65 0.27 0.00 1.34 0.00 0.00 72.50 71.08 1nup s THR 19 CO 0.47 0.00 2.11 0.78 -0.54 0.00 0.00 174.62 177.44 1nup h ASN 20 N 2.02 0.00 -0.40 3.99 2.35 -1.52 -2.08 115.58 119.94 1nup h ASN 20 Ca -0.39 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.27 1nup h ASN 20 Cb 1.25 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.61 1nup h ASN 20 CO 0.66 0.09 -0.09 -0.03 -1.65 0.00 0.00 177.43 176.41 1nup h MET 21 N 0.00 0.77 -0.75 0.81 4.05 -1.91 0.88 114.93 118.79 1nup h MET 21 Ca -0.00 -0.29 0.01 0.00 -0.28 0.00 0.00 59.70 59.14 1nup h MET 21 Cb 0.19 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 30.90 1nup h MET 21 CO 0.01 0.90 0.49 0.45 0.23 0.00 0.00 176.91 178.99 1nup h HIS 22 N 0.59 0.93 -0.30 1.39 3.86 -1.77 -0.84 115.15 119.01 1nup h HIS 22 Ca 0.10 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.27 1nup h HIS 22 Cb 0.61 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 1nup h HIS 22 CO 0.05 0.57 -0.08 -0.07 0.86 0.00 0.00 177.93 179.26 1nup h LEU 23 N 0.99 0.59 -1.57 2.43 3.38 -1.30 -2.90 115.31 116.93 1nup h LEU 23 Ca 0.28 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 57.90 1nup h LEU 23 Cb -0.09 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1nup h LEU 23 CO -0.07 0.82 0.32 -0.09 0.09 0.00 0.00 178.44 179.51 1nup h ARG 24 N 0.34 0.55 -0.71 1.13 9.65 -0.48 -2.33 114.38 122.53 1nup h ARG 24 Ca 0.07 -0.03 0.12 0.00 -1.10 0.00 0.00 59.98 59.04 1nup h ARG 24 Cb 0.57 -0.12 -0.08 0.00 -1.39 0.00 0.00 29.97 28.95 1nup h ARG 24 CO 0.03 0.36 0.30 1.98 2.80 0.00 0.00 179.97 185.45 1nup h MET 25 N 0.57 0.47 -0.45 0.20 4.05 -0.94 -1.12 114.93 117.71 1nup h MET 25 Ca 0.19 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.55 1nup h MET 25 Cb 0.06 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.73 1nup h MET 25 CO -0.05 0.31 0.16 0.74 0.23 0.00 0.00 176.91 178.30 1nup h PHE 26 N 0.48 0.71 -0.59 1.39 -1.00 -1.48 -1.63 116.94 114.83 1nup h PHE 26 Ca 0.37 -0.06 -0.01 0.00 2.81 0.00 0.00 57.97 61.08 1nup h PHE 26 Cb 0.50 -0.21 -0.03 0.00 3.61 0.00 0.00 35.95 39.83 1nup h PHE 26 CO -0.15 0.62 0.32 0.93 -1.61 0.00 0.00 178.31 178.43 1nup h GLU 27 N 0.59 0.83 -0.25 1.51 4.39 -1.35 -0.38 114.58 119.92 1nup h GLU 27 Ca 0.15 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.71 1nup h GLU 27 Cb 0.23 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1nup h GLU 27 CO -0.01 0.64 0.01 0.28 -1.16 0.00 0.00 179.01 178.77 1nup h VAL 28 N 0.80 1.25 -0.50 3.13 2.07 -1.16 -2.06 116.25 119.77 1nup h VAL 28 Ca 0.21 -0.87 0.04 0.00 0.82 0.00 0.00 66.70 66.90 1nup h VAL 28 Cb 0.05 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1nup h VAL 28 CO -0.03 0.27 0.27 0.00 0.02 0.00 0.00 177.57 178.10 1nup h ALA 29 N 0.82 0.64 -0.25 1.67 0.00 -1.11 -0.42 119.26 120.62 1nup h ALA 29 Ca 0.07 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1nup h ALA 29 Cb 0.39 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1nup h ALA 29 CO 0.01 -0.06 0.11 -0.09 0.00 0.00 0.00 179.25 179.21 1nup h ARG 30 N 0.53 0.36 -0.91 0.00 2.43 -0.96 -0.80 114.38 115.03 1nup h ARG 30 Ca 0.22 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1nup h ARG 30 Cb 0.10 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 1nup h ARG 30 CO -0.14 0.38 0.55 -0.44 -1.51 0.00 0.00 179.97 178.82 1nup h ASP 31 N 0.26 1.09 -0.07 -3.80 3.32 -1.13 -0.96 116.42 115.13 1nup h ASP 31 Ca 0.08 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1nup h ASP 31 Cb 0.15 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 1nup h ASP 31 CO -0.01 0.84 0.04 -0.74 -1.72 0.00 0.00 179.24 177.65 1nup h HIS 32 N 1.25 0.10 -0.77 4.55 -0.00 -0.70 0.11 115.15 119.69 1nup h HIS 32 Ca 0.33 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.70 1nup h HIS 32 Cb -0.06 -0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 27.28 1nup h HIS 32 CO 0.00 0.13 0.49 -0.07 -0.00 0.00 0.00 177.93 178.48 1nup h LEU 33 N 0.04 0.91 -1.10 0.26 3.38 -0.86 -1.70 115.31 116.23 1nup h LEU 33 Ca 0.03 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1nup h LEU 33 Cb 0.06 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1nup h LEU 33 CO -0.00 0.68 -0.08 0.45 0.09 0.00 0.00 178.44 179.58 1nup h HIS 34 N 1.05 0.57 -0.21 1.13 3.86 -0.99 -2.55 115.15 118.02 1nup h HIS 34 Ca 0.28 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.39 1nup h HIS 34 Cb -0.08 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.22 1nup h HIS 34 CO -0.01 0.61 0.04 0.37 0.86 0.00 0.00 177.93 179.79 1nup h GLN 35 N 0.50 0.30 0.00 2.45 5.75 0.14 -1.67 115.11 122.58 1nup h GLN 35 Ca 0.10 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.53 1nup h GLN 35 Cb 0.45 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 28.94 1nup h GLN 35 CO 0.02 0.30 -0.15 1.79 -2.65 0.00 0.00 178.83 178.14 1nup h THR 36 N 0.30 0.75 0.00 2.39 1.35 -1.00 -3.46 112.91 113.24 1nup h THR 36 Ca 0.07 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1nup h THR 36 Cb 0.15 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1nup h THR 36 CO -0.00 0.15 0.00 0.61 -0.25 0.00 0.00 175.52 176.03 1nup n GLY 37 N -0.75 1.66 0.00 5.82 0.00 -0.63 -4.90 105.19 106.40 1nup n GLY 37 Ca -0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.10 1nup n GLY 37 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1nup n MET 38 N -2.00 0.17 -4.27 1.61 2.81 -1.26 -4.84 117.12 109.34 1nup n MET 38 Ca 0.00 -0.05 -0.18 0.00 -1.81 0.00 0.00 57.70 55.66 1nup n MET 38 Cb 0.00 -1.51 -0.11 0.00 -0.71 0.00 0.00 33.22 30.89 1nup n MET 38 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 1nup s TYR 39 N -3.13 1.48 -0.28 2.03 1.51 -1.26 -0.81 117.35 116.90 1nup s TYR 39 Ca 0.04 -0.59 0.00 0.00 -1.01 0.00 0.00 57.07 55.52 1nup s TYR 39 Cb 0.15 -0.75 0.08 0.00 -0.11 0.00 0.00 41.96 41.34 1nup s TYR 39 CO 0.87 0.20 0.03 -1.14 -1.11 0.00 0.00 175.55 174.40 1nup s GLN 40 N -3.07 1.14 -0.07 -0.62 0.74 -0.16 -4.33 119.66 113.29 1nup s GLN 40 Ca 0.14 -1.11 -0.30 0.00 0.05 0.00 0.00 55.36 54.14 1nup s GLN 40 Cb -0.03 -2.42 -0.04 0.00 1.10 0.00 0.00 33.01 31.63 1nup s GLN 40 CO 0.04 -0.81 1.38 0.08 -0.55 0.00 0.00 175.29 175.42 1nup s VAL 41 N 1.45 3.94 -0.04 1.34 1.01 -1.26 -0.52 120.40 126.31 1nup s VAL 41 Ca 0.04 1.23 0.12 0.00 0.00 0.00 0.00 61.98 63.37 1nup s VAL 41 Cb -0.18 -3.79 -0.19 0.00 0.00 0.00 0.00 36.38 32.22 1nup s VAL 41 CO -0.14 -0.05 0.28 2.30 0.00 0.00 0.00 175.10 177.49 1nup n ILE 42 N 5.01 0.00 -3.58 2.22 -5.35 0.97 -4.87 119.36 113.76 1nup n ILE 42 Ca 0.14 -0.28 -0.17 0.00 -0.27 0.00 0.00 62.75 62.18 1nup n ILE 42 Cb 0.44 0.26 -0.07 0.00 -1.74 0.00 0.00 39.64 38.53 1nup n ILE 42 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1nup s GLN 43 N -2.81 0.95 -0.00 6.28 2.00 -1.21 -4.95 119.66 119.91 1nup s GLN 43 Ca -0.04 0.26 0.07 0.00 -2.00 0.00 0.00 55.36 53.64 1nup s GLN 43 Cb 0.08 0.44 -0.02 0.00 0.80 0.00 0.00 33.01 34.31 1nup s GLN 43 CO 0.50 -0.27 -0.21 0.20 -0.50 0.00 0.00 175.29 175.02 1nup s GLY 44 N -1.02 1.03 -0.09 2.59 0.00 0.10 -1.00 107.32 108.93 1nup s GLY 44 Ca -0.10 -0.92 -0.00 0.00 0.00 0.00 0.00 44.72 43.70 1nup s GLY 44 CO 0.08 -0.79 -0.06 -0.42 0.00 0.00 0.00 173.10 171.91 1nup s ILE 45 N -0.55 0.83 -0.22 0.90 1.01 0.78 -0.88 121.20 123.08 1nup s ILE 45 Ca 0.08 -0.20 -0.13 0.00 0.00 0.00 0.00 60.65 60.39 1nup s ILE 45 Cb -0.08 -0.87 -0.05 0.00 0.01 0.00 0.00 42.46 41.48 1nup s ILE 45 CO -0.00 0.32 0.27 -0.63 0.00 0.00 0.00 174.94 174.90 1nup s ILE 46 N 1.50 5.29 -0.37 2.92 1.09 0.04 -0.44 121.20 131.22 1nup s ILE 46 Ca -0.00 0.43 0.02 0.00 -1.10 0.00 0.00 60.65 59.99 1nup s ILE 46 Cb -0.13 -3.60 0.11 0.00 -1.06 0.00 0.00 42.46 37.78 1nup s ILE 46 CO -0.05 0.31 0.14 -0.55 -0.10 0.00 0.00 174.94 174.69 1nup s SER 47 N 1.00 4.16 0.37 3.58 0.15 0.10 -1.07 113.70 122.00 1nup s SER 47 Ca 0.13 -2.18 -0.28 0.00 0.70 0.00 0.00 55.95 54.32 1nup s SER 47 Cb -0.14 -1.20 -0.11 0.00 -1.71 0.00 0.00 66.02 62.87 1nup s SER 47 CO 0.06 -0.35 1.45 -2.84 1.20 0.00 0.00 173.24 172.76 1nup s PRO 48 N 0.89 4.12 0.64 5.44 0.02 -1.26 -2.93 135.00 141.93 1nup s PRO 48 Ca 0.13 2.50 -0.16 0.00 0.02 0.00 0.00 61.00 63.49 1nup s PRO 48 Cb -0.21 -2.97 -0.01 0.00 0.02 0.00 0.00 34.50 31.34 1nup s PRO 48 CO -0.11 -0.49 1.12 0.54 -0.33 0.00 0.00 177.00 177.73 1nup s VAL 49 N -1.13 3.14 0.58 3.83 0.11 0.48 -3.40 120.40 124.00 1nup s VAL 49 Ca 0.53 0.56 -0.18 0.00 -2.93 0.00 0.00 61.98 59.96 1nup s VAL 49 Cb -0.45 -3.10 -0.04 0.00 -1.53 0.00 0.00 36.38 31.25 1nup s VAL 49 CO 0.61 -0.29 1.14 0.21 -3.33 0.00 0.00 175.10 173.44 1nup s ASN 50 N -2.37 5.49 0.61 3.54 3.84 -1.26 -4.69 114.94 120.10 1nup s ASN 50 Ca 0.69 2.17 0.37 0.00 0.21 0.00 0.00 52.86 56.31 1nup s ASN 50 Cb -0.22 -2.58 1.96 0.00 -0.55 0.00 0.00 41.25 39.87 1nup s ASN 50 CO 0.39 -1.37 2.23 0.44 -2.79 0.00 0.00 177.10 175.99 1nup h ASP 51 N 0.89 0.00 0.65 -4.21 3.32 -1.93 -2.46 116.42 112.69 1nup h ASP 51 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1nup h ASP 51 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1nup h ASP 51 CO 0.56 0.02 0.00 0.35 -1.72 0.00 0.00 179.24 178.45 1nup n THR 52 N -3.30 0.40 -2.45 0.35 -2.24 -1.26 -4.84 114.28 100.94 1nup n THR 52 Ca -0.02 0.10 -0.36 0.00 -2.27 0.00 0.00 64.05 61.50 1nup n THR 52 Cb 0.15 -0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 67.63 1nup n THR 52 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1nup s TYR 53 N -2.85 3.04 0.21 4.78 5.04 -0.93 -4.85 117.35 121.79 1nup s TYR 53 Ca 0.14 1.59 0.00 0.00 -2.44 0.00 0.00 57.07 56.36 1nup s TYR 53 Cb 0.15 -3.19 0.00 0.00 0.35 0.00 0.00 41.96 39.27 1nup s TYR 53 CO 0.39 -0.99 0.00 0.41 -1.34 0.00 0.00 175.55 174.02 1nup n GLY 54 N 0.18 -1.93 0.69 8.97 0.00 -1.26 -4.62 105.19 107.23 1nup n GLY 54 Ca 0.07 -1.25 0.06 0.00 0.00 0.00 0.00 46.02 44.91 1nup n GLY 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nup n LYS 55 N -3.06 2.58 -3.80 1.61 5.02 -1.26 -5.00 118.16 114.24 1nup n LYS 55 Ca 0.01 -2.01 -0.21 0.00 -2.02 0.00 0.00 58.31 54.08 1nup n LYS 55 Cb 0.41 -1.30 -0.02 0.00 -0.02 0.00 0.00 35.03 34.11 1nup n LYS 55 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1nup s LYS 56 N -1.01 3.36 -0.63 1.97 2.20 -1.26 -5.06 119.74 119.32 1nup s LYS 56 Ca 0.25 -0.79 -0.15 0.00 -0.36 0.00 0.00 55.97 54.92 1nup s LYS 56 Cb 0.13 -2.86 0.16 0.00 -1.51 0.00 0.00 37.83 33.76 1nup s LYS 56 CO 0.18 0.32 0.58 -0.51 -0.36 0.00 0.00 175.35 175.55 1nup s ASP 57 N -4.03 6.32 0.19 1.43 1.01 -1.26 -5.04 116.67 115.29 1nup s ASP 57 Ca 0.37 -2.12 -0.14 0.00 0.71 0.00 0.00 52.55 51.38 1nup s ASP 57 Cb -0.09 -2.19 -0.07 0.00 1.01 0.00 0.00 42.92 41.58 1nup s ASP 57 CO 0.30 -0.74 0.58 -0.76 0.21 0.00 0.00 175.17 174.76 1nup s LEU 58 N 1.08 4.28 0.75 1.23 1.02 -1.26 -5.06 118.68 120.72 1nup s LEU 58 Ca 0.08 1.10 -0.14 0.00 0.02 0.00 0.00 54.13 55.19 1nup s LEU 58 Cb -0.23 -3.45 0.05 0.00 0.02 0.00 0.00 46.19 42.58 1nup s LEU 58 CO -0.01 0.03 1.19 0.00 0.02 0.00 0.00 176.35 177.58 1nup s ALA 59 N -1.58 2.06 0.42 4.21 0.00 -1.26 -4.88 121.76 120.72 1nup s ALA 59 Ca 0.42 0.81 -0.25 0.00 0.00 0.00 0.00 51.96 52.93 1nup s ALA 59 Cb -0.14 -3.45 -0.10 0.00 0.00 0.00 0.00 23.12 19.43 1nup s ALA 59 CO 0.20 -1.95 1.25 0.00 0.00 0.00 0.00 175.76 175.25 1nup n ALA 60 N -2.91 1.19 -0.34 0.00 0.00 -1.26 -4.73 120.51 112.45 1nup n ALA 60 Ca 0.13 0.27 0.12 0.00 0.00 0.00 0.00 53.44 53.96 1nup n ALA 60 Cb 0.51 -2.25 0.32 0.00 0.00 0.00 0.00 19.45 18.03 1nup n ALA 60 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1nup h SER 61 N 2.06 0.79 0.12 0.00 4.64 -1.89 0.04 113.55 119.30 1nup h SER 61 Ca -0.47 0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 60.89 1nup h SER 61 Cb 1.30 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 1nup h SER 61 CO 0.60 0.32 -0.13 1.12 -0.87 0.00 0.00 176.83 177.87 1nup h HIS 62 N 0.79 0.04 -0.14 4.77 2.07 -1.95 0.12 115.15 120.86 1nup h HIS 62 Ca 0.55 -0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.90 1nup h HIS 62 Cb 0.82 -0.01 0.01 0.00 2.57 0.00 0.00 27.41 30.79 1nup h HIS 62 CO -0.00 0.18 -0.57 0.45 -3.07 0.00 0.00 177.93 174.92 1nup h HIS 63 N 0.04 0.84 -0.27 6.12 -0.00 -1.36 -1.50 115.15 119.02 1nup h HIS 63 Ca 0.01 -0.36 -0.10 0.00 -0.00 0.00 0.00 60.37 59.93 1nup h HIS 63 Cb 0.26 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.52 1nup h HIS 63 CO 0.00 1.15 -0.23 0.00 -0.00 0.00 0.00 177.93 178.85 1nup h ARG 64 N 0.29 0.52 -0.37 2.45 3.08 -0.57 -0.92 114.38 118.86 1nup h ARG 64 Ca -0.03 -0.19 -0.09 0.00 0.07 0.00 0.00 59.98 59.73 1nup h ARG 64 Cb 1.20 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 1nup h ARG 64 CO 0.12 0.72 -0.13 0.28 -1.07 0.00 0.00 179.97 179.89 1nup h VAL 65 N 0.46 1.28 -0.60 2.04 2.07 -0.81 -2.03 116.25 118.67 1nup h VAL 65 Ca 0.07 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 1nup h VAL 65 Cb 0.66 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 1nup h VAL 65 CO 0.05 0.41 0.30 0.00 0.02 0.00 0.00 177.57 178.35 1nup h ALA 66 N 0.81 0.77 -0.65 1.67 0.00 -0.92 -1.00 119.26 119.94 1nup h ALA 66 Ca 0.09 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1nup h ALA 66 Cb 0.66 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1nup h ALA 66 CO 0.04 0.32 0.11 0.52 0.00 0.00 0.00 179.25 180.24 1nup h MET 67 N 0.81 1.07 -0.61 0.00 2.07 -1.13 -1.16 114.93 115.97 1nup h MET 67 Ca 0.21 -0.28 -0.03 0.00 -2.07 0.00 0.00 59.70 57.52 1nup h MET 67 Cb 0.09 -0.13 -0.03 0.00 -1.87 0.00 0.00 31.60 29.67 1nup h MET 67 CO -0.03 0.98 0.27 0.00 1.07 0.00 0.00 176.91 179.21 1nup h ALA 68 N 1.04 0.80 -0.61 6.32 0.00 -1.08 0.16 119.26 125.88 1nup h ALA 68 Ca 0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1nup h ALA 68 Cb 0.43 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1nup h ALA 68 CO 0.01 0.38 0.35 -0.09 0.00 0.00 0.00 179.25 179.90 1nup h ARG 69 N 0.85 0.84 -0.41 0.00 2.43 -0.97 0.25 114.38 117.37 1nup h ARG 69 Ca 0.21 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1nup h ARG 69 Cb 0.16 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1nup h ARG 69 CO -0.02 0.62 0.22 -0.07 -1.51 0.00 0.00 179.97 179.21 1nup h LEU 70 N 0.83 0.52 -1.58 3.80 3.38 -0.67 -1.66 115.31 119.92 1nup h LEU 70 Ca 0.22 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.12 1nup h LEU 70 Cb 0.01 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1nup h LEU 70 CO -0.04 0.46 0.32 0.00 0.09 0.00 0.00 178.44 179.28 1nup h ALA 71 N 1.08 1.77 -0.07 1.53 0.00 -0.13 -2.68 119.26 120.75 1nup h ALA 71 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1nup h ALA 71 Cb 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1nup h ALA 71 CO -0.02 0.17 0.00 1.28 0.00 0.00 0.00 179.25 180.68 1nup n LEU 72 N -4.47 1.72 -0.02 0.00 4.77 0.02 -4.25 117.00 114.78 1nup n LEU 72 Ca 0.05 -0.62 0.09 0.00 -0.03 0.00 0.00 56.01 55.51 1nup n LEU 72 Cb 0.14 -0.04 0.50 0.00 -2.33 0.00 0.00 43.42 41.70 1nup n LEU 72 CO 0.35 0.31 1.17 1.56 -1.33 0.00 0.00 177.39 179.45 1nup h GLN 73 N 2.57 0.39 -0.06 3.23 4.20 -0.97 0.14 115.11 124.61 1nup h GLN 73 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1nup h GLN 73 Cb 0.55 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1nup h GLN 73 CO 0.00 0.25 0.00 0.25 -0.67 0.00 0.00 178.83 178.66 1nup n THR 74 N -4.47 0.07 -3.64 -0.54 -2.24 -1.26 -4.84 114.28 97.35 1nup n THR 74 Ca 0.06 -0.18 -0.37 0.00 -2.27 0.00 0.00 64.05 61.29 1nup n THR 74 Cb 0.25 0.12 -0.06 0.00 -2.10 0.00 0.00 70.33 68.54 1nup n THR 74 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1nup s SER 75 N -1.78 6.57 0.00 3.42 0.15 0.04 -4.98 113.70 117.11 1nup s SER 75 Ca 0.36 0.68 0.23 0.00 0.70 0.00 0.00 55.95 57.91 1nup s SER 75 Cb 0.18 -2.17 0.55 0.00 -1.71 0.00 0.00 66.02 62.87 1nup s SER 75 CO 0.30 0.30 1.48 -0.90 1.20 0.00 0.00 173.24 175.61 1nup n ASP 76 N 2.33 3.75 0.00 5.45 5.68 -1.26 -4.55 116.55 127.94 1nup n ASP 76 Ca -0.15 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.14 1nup n ASP 76 Cb 0.53 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 1nup n ASP 76 CO 0.00 0.00 0.00 -2.67 -1.33 0.00 0.00 177.20 173.20 1nup n TRP 77 N 1.58 0.00 -4.57 2.11 4.27 -1.26 -5.08 117.44 114.49 1nup n TRP 77 Ca 0.22 0.00 -0.33 0.00 -3.89 0.00 0.00 57.50 53.50 1nup n TRP 77 Cb 0.61 0.00 -0.13 0.00 -1.36 0.00 0.00 31.31 30.44 1nup n TRP 77 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 1nup s ILE 78 N 0.00 3.60 0.10 -1.67 1.01 -1.26 -0.72 121.20 122.26 1nup s ILE 78 Ca 0.00 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.20 1nup s ILE 78 Cb 0.00 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 1nup s ILE 78 CO 0.00 0.53 -0.07 0.00 0.00 0.00 0.00 174.94 175.40 1nup s ARG 79 N 0.08 0.83 -0.01 2.79 1.70 -0.06 -4.81 118.95 119.48 1nup s ARG 79 Ca -0.02 -1.29 -0.09 0.00 -0.47 0.00 0.00 55.73 53.86 1nup s ARG 79 Cb -0.14 -0.27 -0.05 0.00 -0.57 0.00 0.00 34.95 33.92 1nup s ARG 79 CO 0.03 0.00 0.29 0.54 -1.08 0.00 0.00 175.30 175.09 1nup s VAL 80 N -3.37 5.26 -0.24 4.99 0.11 -1.26 -0.78 120.40 125.11 1nup s VAL 80 Ca 0.10 0.36 0.01 0.00 -2.93 0.00 0.00 61.98 59.52 1nup s VAL 80 Cb 0.03 -3.58 0.06 0.00 -1.53 0.00 0.00 36.38 31.37 1nup s VAL 80 CO -0.04 0.45 -0.04 -0.62 -3.33 0.00 0.00 175.10 171.53 1nup s ASP 81 N -1.44 3.82 0.00 3.54 3.68 -0.23 -4.88 116.67 121.15 1nup s ASP 81 Ca 0.25 -1.20 0.15 0.00 2.13 0.00 0.00 52.55 53.89 1nup s ASP 81 Cb -0.14 -1.14 0.75 0.00 -1.45 0.00 0.00 42.92 40.94 1nup s ASP 81 CO 0.13 -0.25 1.45 -0.81 0.13 0.00 0.00 175.17 175.82 1nup n PRO 82 N 4.69 0.18 -0.28 4.34 -0.04 -1.26 -4.34 135.00 138.29 1nup n PRO 82 Ca -0.11 0.16 -0.10 0.00 -0.04 0.00 0.00 63.50 63.41 1nup n PRO 82 Cb 0.44 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.33 1nup n PRO 82 CO 0.00 0.00 0.00 2.35 -0.04 0.00 0.00 175.50 177.81 1nup h TRP 83 N 0.00 -1.62 -0.75 0.54 7.01 -1.95 0.30 115.95 119.48 1nup h TRP 83 Ca 0.00 0.10 0.13 0.00 2.11 0.00 0.00 58.89 61.24 1nup h TRP 83 Cb 0.17 0.80 -0.09 0.00 -2.10 0.00 0.00 29.16 27.94 1nup h TRP 83 CO 0.00 -0.42 0.32 1.49 -2.79 0.00 0.00 178.44 177.04 1nup h GLU 84 N -0.18 0.47 0.00 2.65 4.81 -1.85 0.23 114.58 120.72 1nup h GLU 84 Ca 0.16 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1nup h GLU 84 Cb 0.52 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1nup h GLU 84 CO -0.78 0.31 0.00 0.66 -0.73 0.00 0.00 179.01 178.47 1nup h SER 85 N 0.48 0.00 0.44 1.04 4.64 -1.15 -3.02 113.55 115.97 1nup h SER 85 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1nup h SER 85 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1nup h SER 85 CO -0.37 0.00 -0.29 -0.62 -0.87 0.00 0.00 176.83 174.67 1nup n GLU 86 N -3.03 0.41 -1.22 4.77 1.02 0.02 -4.65 120.64 117.95 1nup n GLU 86 Ca 0.02 -0.21 -0.31 0.00 -0.02 0.00 0.00 57.16 56.65 1nup n GLU 86 Cb 0.38 -1.50 0.10 0.00 -0.02 0.00 0.00 31.44 30.41 1nup n GLU 86 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1nup s GLN 87 N -2.74 2.10 0.27 3.49 -1.52 -0.90 -4.92 119.66 115.44 1nup s GLN 87 Ca 0.19 1.16 -0.03 0.00 -1.95 0.00 0.00 55.36 54.73 1nup s GLN 87 Cb 0.19 -1.88 0.35 0.00 -0.22 0.00 0.00 33.01 31.45 1nup s GLN 87 CO 0.58 -1.75 1.88 0.00 -0.25 0.00 0.00 175.29 175.75 1nup h ALA 88 N -1.21 1.26 -2.47 6.09 0.00 -1.90 -3.46 119.26 117.57 1nup h ALA 88 Ca -0.44 -0.14 -0.25 0.00 0.00 0.00 0.00 54.91 54.08 1nup h ALA 88 Cb 1.24 -0.30 -0.15 0.00 0.00 0.00 0.00 17.79 18.58 1nup h ALA 88 CO 0.51 0.58 -0.63 -1.14 0.00 0.00 0.00 179.25 178.57 1nup s GLN 89 N -5.63 1.17 0.84 0.00 0.74 -1.26 -4.89 119.66 110.63 1nup s GLN 89 Ca -0.11 -1.61 -0.14 0.00 0.05 0.00 0.00 55.36 53.55 1nup s GLN 89 Cb 0.17 0.11 0.03 0.00 1.10 0.00 0.00 33.01 34.41 1nup s GLN 89 CO 0.81 -0.32 0.66 1.87 -0.55 0.00 0.00 175.29 177.76 1nup n TRP 90 N -0.27 -0.52 -3.81 1.67 -0.00 -1.26 -4.93 117.44 108.32 1nup n TRP 90 Ca -0.01 0.32 -0.13 0.00 -0.00 0.00 0.00 57.50 57.69 1nup n TRP 90 Cb 0.65 -1.91 -0.13 0.00 -0.00 0.00 0.00 31.31 29.92 1nup n TRP 90 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 177.69 176.05 1nup s MET 91 N -3.48 0.14 0.67 5.87 -1.94 -1.26 -5.07 119.30 114.23 1nup s MET 91 Ca 0.64 0.21 -0.17 0.00 -1.71 0.00 0.00 55.69 54.66 1nup s MET 91 Cb -0.28 0.04 0.00 0.00 2.01 0.00 0.00 34.83 36.60 1nup s MET 91 CO 0.60 -0.04 1.29 -1.21 -0.01 0.00 0.00 175.02 175.65 1nup s GLU 92 N 0.23 2.41 0.41 2.03 8.01 -1.26 -4.86 118.70 125.68 1nup s GLU 92 Ca -0.01 2.03 0.07 0.00 0.01 0.00 0.00 54.97 57.07 1nup s GLU 92 Cb -0.02 -1.83 0.86 0.00 -4.31 0.00 0.00 34.13 28.82 1nup s GLU 92 CO -0.01 -1.70 2.05 1.15 0.01 0.00 0.00 175.26 176.76 1nup h THR 93 N 0.34 1.11 -0.10 3.63 2.02 -2.00 -2.00 112.91 115.91 1nup h THR 93 Ca -0.50 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.42 1nup h THR 93 Cb 1.33 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 1nup h THR 93 CO 0.52 0.11 -0.02 1.62 0.37 0.00 0.00 175.52 178.13 1nup h VAL 94 N 0.52 1.08 0.00 3.16 3.04 -1.92 -0.32 116.25 121.80 1nup h VAL 94 Ca 0.14 -0.32 -0.09 0.00 -1.01 0.00 0.00 66.70 65.42 1nup h VAL 94 Cb -0.02 1.03 -0.01 0.00 -2.01 0.00 0.00 31.29 30.27 1nup h VAL 94 CO -0.03 0.10 -0.45 0.11 -1.01 0.00 0.00 177.57 176.30 1nup h LYS 95 N 0.14 0.00 -0.02 4.17 1.57 -1.71 -0.87 116.57 119.85 1nup h LYS 95 Ca 0.03 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.61 1nup h LYS 95 Cb 0.13 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1nup h LYS 95 CO 0.00 0.45 -0.87 0.28 -0.57 0.00 0.00 179.45 178.74 1nup h VAL 96 N 0.00 1.42 -0.45 0.50 2.07 -1.09 -1.83 116.25 116.87 1nup h VAL 96 Ca -0.00 -2.43 -0.05 0.00 0.82 0.00 0.00 66.70 65.04 1nup h VAL 96 Cb 0.96 2.36 -0.02 0.00 -1.52 0.00 0.00 31.29 33.07 1nup h VAL 96 CO 0.06 0.72 0.10 -0.07 0.02 0.00 0.00 177.57 178.40 1nup h LEU 97 N 0.20 0.70 -0.21 2.57 3.38 -0.99 -1.72 115.31 119.24 1nup h LEU 97 Ca -0.06 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.68 1nup h LEU 97 Cb 1.49 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1nup h LEU 97 CO 0.14 0.76 0.12 0.03 0.09 0.00 0.00 178.44 179.58 1nup h ARG 98 N 0.61 0.24 -0.15 1.13 3.08 -1.06 0.47 114.38 118.69 1nup h ARG 98 Ca 0.14 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.21 1nup h ARG 98 Cb 0.34 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 1nup h ARG 98 CO 0.00 0.16 -0.05 1.25 -1.07 0.00 0.00 179.97 180.26 1nup h HIS 99 N 0.24 -0.10 0.00 3.04 2.76 -1.21 -1.49 115.15 118.39 1nup h HIS 99 Ca 0.08 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.19 1nup h HIS 99 Cb 0.00 0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.02 1nup h HIS 99 CO -0.08 -0.08 -0.38 0.45 -1.30 0.00 0.00 177.93 176.54 1nup h HIS 100 N -0.01 0.00 -0.30 5.26 3.86 -1.04 -1.96 115.15 120.95 1nup h HIS 100 Ca 0.08 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 1nup h HIS 100 Cb 0.13 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 1nup h HIS 100 CO -0.19 0.38 0.13 1.25 0.86 0.00 0.00 177.93 180.36 1nup h HIS 101 N 0.00 0.45 -0.02 2.45 6.17 -0.43 -2.18 115.15 121.59 1nup h HIS 101 Ca -0.00 -0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.06 1nup h HIS 101 Cb 0.70 -0.14 -0.01 0.00 2.52 0.00 0.00 27.41 30.49 1nup h HIS 101 CO 0.00 0.44 -0.04 0.77 0.71 0.00 0.00 177.93 179.81 1nup h SER 102 N 0.34 -0.12 -1.00 3.26 0.02 -0.94 -2.03 113.55 113.09 1nup h SER 102 Ca 0.10 0.02 0.22 0.00 -0.84 0.00 0.00 61.79 61.29 1nup h SER 102 Cb 0.17 0.06 -0.10 0.00 0.14 0.00 0.00 62.40 62.67 1nup h SER 102 CO -0.01 -0.06 0.62 0.11 -1.14 0.00 0.00 176.83 176.35 1nup h LYS 103 N -0.06 0.58 -0.06 3.45 1.57 -1.16 0.78 116.57 121.67 1nup h LYS 103 Ca 0.03 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1nup h LYS 103 Cb 0.09 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1nup h LYS 103 CO -0.06 0.39 0.06 -0.07 -0.57 0.00 0.00 179.45 179.19 1nup h LEU 104 N 0.60 0.00 0.02 2.94 3.38 -0.72 -0.74 115.31 120.79 1nup h LEU 104 Ca 0.58 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 58.27 1nup h LEU 104 Cb 1.13 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 1nup h LEU 104 CO -0.35 0.00 -1.54 -0.07 0.09 0.00 0.00 178.44 176.57 1nup h LEU 105 N 0.00 0.07 0.00 1.67 3.38 0.57 -3.48 115.31 117.52 1nup h LEU 105 Ca 0.03 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1nup h LEU 105 Cb 0.14 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1nup h LEU 105 CO -0.00 1.11 0.00 0.54 0.09 0.00 0.00 178.44 180.18 1nup n ARG 106 N -3.19 0.00 -3.65 1.13 3.00 -0.07 -5.13 116.66 108.76 1nup n ARG 106 Ca -0.14 0.00 -0.02 0.00 -0.01 0.00 0.00 57.85 57.68 1nup n ARG 106 Cb 1.02 -0.33 -0.05 0.00 0.00 0.00 0.00 32.46 33.10 1nup n ARG 106 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1nup s VAL 127 N 0.00 0.00 0.43 1.55 1.01 -1.26 -4.81 120.40 117.32 1nup s VAL 127 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 61.98 61.77 1nup s VAL 127 Cb 0.00 -1.00 -0.10 0.00 0.00 0.00 0.00 36.38 35.28 1nup s VAL 127 CO 0.00 0.00 0.98 -2.84 0.00 0.00 0.00 175.10 173.24 1nup s PRO 128 N -0.66 4.15 0.13 2.72 0.02 -1.26 -4.77 135.00 135.34 1nup s PRO 128 Ca 0.09 1.21 -0.25 0.00 0.02 0.00 0.00 61.00 62.07 1nup s PRO 128 Cb -0.02 -2.23 -0.07 0.00 0.02 0.00 0.00 34.50 32.20 1nup s PRO 128 CO -0.11 -0.11 0.77 -1.21 -0.33 0.00 0.00 177.00 176.01 1nup s GLU 129 N -3.07 4.54 -0.24 5.54 2.02 0.73 -4.87 118.70 123.36 1nup s GLU 129 Ca 0.62 1.13 -0.10 0.00 0.02 0.00 0.00 54.97 56.64 1nup s GLU 129 Cb -0.12 -3.29 -0.05 0.00 0.10 0.00 0.00 34.13 30.77 1nup s GLU 129 CO 0.16 0.49 0.15 -1.17 0.02 0.00 0.00 175.26 174.91 1nup s LEU 130 N -0.85 4.05 0.01 1.80 2.96 -1.26 -1.30 118.68 124.08 1nup s LEU 130 Ca 0.36 0.09 0.06 0.00 -0.22 0.00 0.00 54.13 54.42 1nup s LEU 130 Cb -0.22 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.37 1nup s LEU 130 CO 0.25 0.07 -0.18 -0.54 -1.32 0.00 0.00 176.35 174.63 1nup s LYS 131 N 1.04 1.37 -0.00 1.98 1.02 -0.49 -3.38 119.74 121.27 1nup s LYS 131 Ca 0.07 -0.73 -0.27 0.00 0.02 0.00 0.00 55.97 55.07 1nup s LYS 131 Cb -0.14 -1.37 -0.04 0.00 -0.52 0.00 0.00 37.83 35.77 1nup s LYS 131 CO 0.04 0.36 0.83 -1.17 -0.92 0.00 0.00 175.35 174.50 1nup s LEU 132 N -0.70 4.38 -0.21 3.17 2.96 -0.17 -1.24 118.68 126.87 1nup s LEU 132 Ca 0.06 1.46 -0.07 0.00 -0.22 0.00 0.00 54.13 55.37 1nup s LEU 132 Cb -0.07 -3.33 -0.03 0.00 0.50 0.00 0.00 46.19 43.26 1nup s LEU 132 CO 0.00 -0.13 0.06 -0.22 -1.32 0.00 0.00 176.35 174.75 1nup s LEU 133 N 0.58 3.58 0.21 -0.68 2.96 0.12 -0.58 118.68 124.87 1nup s LEU 133 Ca 0.43 -0.08 -0.15 0.00 -0.22 0.00 0.00 54.13 54.11 1nup s LEU 133 Cb -0.20 -1.93 0.01 0.00 0.50 0.00 0.00 46.19 44.57 1nup s LEU 133 CO 0.24 0.07 0.47 0.00 -1.32 0.00 0.00 176.35 175.80 1nup s GLY 135 N -2.94 1.66 0.58 0.00 0.00 -1.26 -1.52 107.32 103.85 1nup s GLY 135 Ca 0.15 -0.13 0.28 0.00 0.00 0.00 0.00 44.72 45.01 1nup s GLY 135 CO 0.02 0.12 2.05 0.00 0.00 0.00 0.00 173.10 175.28 1nup h ALA 136 N -0.15 1.97 -0.14 3.20 0.00 -1.14 -0.14 119.26 122.86 1nup h ALA 136 Ca -0.45 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.49 1nup h ALA 136 Cb 1.19 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1nup h ALA 136 CO 0.62 -0.42 0.12 0.38 0.00 0.00 0.00 179.25 179.96 1nup h ASP 137 N 0.00 0.00 -0.36 0.00 2.03 -1.91 -1.75 116.42 114.43 1nup h ASP 137 Ca 0.13 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 56.28 1nup h ASP 137 Cb 0.68 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.17 1nup h ASP 137 CO -0.00 0.00 -0.33 0.58 -1.03 0.00 0.00 179.24 178.46 1nup h VAL 138 N 0.00 1.27 -0.51 4.15 2.07 -1.38 -2.59 116.25 119.26 1nup h VAL 138 Ca 0.07 -1.50 0.05 0.00 0.82 0.00 0.00 66.70 66.14 1nup h VAL 138 Cb 0.31 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 1nup h VAL 138 CO -0.00 0.50 0.34 -0.07 0.02 0.00 0.00 177.57 178.36 1nup h LEU 139 N 0.74 0.42 -0.87 2.57 3.38 -1.45 0.15 115.31 120.25 1nup h LEU 139 Ca 0.07 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 1nup h LEU 139 Cb 0.91 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1nup h LEU 139 CO 0.08 0.28 -0.41 0.50 0.09 0.00 0.00 178.44 178.99 1nup h LYS 140 N 0.48 0.33 0.00 1.13 3.64 -1.45 -2.72 116.57 117.98 1nup h LYS 140 Ca 0.22 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1nup h LYS 140 Cb 0.24 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1nup h LYS 140 CO -0.06 0.69 -0.15 1.79 -2.27 0.00 0.00 179.45 179.45 1nup h THR 141 N 0.27 0.51 -0.04 1.00 1.35 -0.47 -1.99 112.91 113.56 1nup h THR 141 Ca 0.02 -0.75 0.01 0.00 -0.55 0.00 0.00 66.41 65.14 1nup h THR 141 Cb 0.84 1.51 -0.00 0.00 -1.73 0.00 0.00 68.15 68.77 1nup h THR 141 CO 0.07 0.15 0.06 -0.26 -0.25 0.00 0.00 175.52 175.29 1nup h PHE 142 N 0.00 0.00 0.00 4.73 0.05 -1.13 -0.58 116.94 120.01 1nup h PHE 142 Ca -0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1nup h PHE 142 Cb 0.50 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.45 1nup h PHE 142 CO 0.00 0.00 -0.15 1.96 -0.18 0.00 0.00 178.31 179.94 1nup h GLN 143 N 0.00 0.00 -6.32 1.51 4.20 -1.48 -3.44 115.11 109.58 1nup h GLN 143 Ca 0.02 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.18 1nup h GLN 143 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1nup h GLN 143 CO -0.00 0.00 1.04 0.99 -0.67 0.00 0.00 178.83 180.19 1nup s THR 144 N -3.17 3.45 0.08 -0.54 2.01 -0.23 -4.90 115.64 112.36 1nup s THR 144 Ca 0.08 0.68 -0.37 0.00 0.31 0.00 0.00 61.69 62.40 1nup s THR 144 Cb 0.10 -3.44 -0.17 0.00 0.01 0.00 0.00 72.50 68.99 1nup s THR 144 CO 0.65 -0.04 1.22 -2.65 -0.69 0.00 0.00 174.62 173.12 1nup n PRO 145 N 6.56 0.85 -0.47 4.92 -0.02 -1.26 -1.48 135.00 144.10 1nup n PRO 145 Ca 0.16 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1nup n PRO 145 Cb 0.42 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1nup n PRO 145 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1nup n ASN 146 N 2.18 0.00 -0.03 2.55 3.02 -1.26 -4.83 115.26 116.89 1nup n ASN 146 Ca 0.18 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.57 1nup n ASN 146 Cb 0.18 -1.74 -0.08 0.00 -0.61 0.00 0.00 39.78 37.52 1nup n ASN 146 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1nup h LEU 147 N 0.00 0.63 -7.96 3.41 5.85 -1.59 -3.43 115.31 112.22 1nup h LEU 147 Ca 0.00 -0.63 -0.54 0.00 0.84 0.00 0.00 57.88 57.55 1nup h LEU 147 Cb 0.00 -0.19 -0.34 0.00 0.37 0.00 0.00 40.66 40.50 1nup h LEU 147 CO 0.00 1.16 -0.82 0.26 -0.34 0.00 0.00 178.44 178.70 1nup s TRP 148 N -3.71 1.60 0.23 1.25 0.52 -1.26 -5.11 118.94 112.46 1nup s TRP 148 Ca -0.13 -0.66 -0.30 0.00 0.02 0.00 0.00 56.10 55.03 1nup s TRP 148 Cb 0.06 -1.18 -0.10 0.00 -1.15 0.00 0.00 33.47 31.10 1nup s TRP 148 CO 0.83 -0.35 1.42 0.15 0.02 0.00 0.00 176.95 179.02 1nup s LYS 149 N 0.86 4.29 0.26 4.98 1.02 -1.26 -4.87 119.74 125.02 1nup s LYS 149 Ca -0.10 2.25 -0.02 0.00 0.02 0.00 0.00 55.97 58.12 1nup s LYS 149 Cb -0.15 -3.13 0.52 0.00 -0.52 0.00 0.00 37.83 34.54 1nup s LYS 149 CO 0.01 -0.40 1.74 -0.44 -0.92 0.00 0.00 175.35 175.34 1nup h ASP 150 N 5.28 0.39 -0.63 2.83 3.32 -1.99 0.25 116.42 125.87 1nup h ASP 150 Ca -0.45 0.11 0.06 0.00 0.02 0.00 0.00 57.03 56.76 1nup h ASP 150 Cb 1.22 0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.78 1nup h ASP 150 CO 0.79 0.15 0.42 0.00 -1.72 0.00 0.00 179.24 178.87 1nup h ALA 151 N 1.57 1.78 -0.10 3.45 0.00 -1.99 -0.24 119.26 123.73 1nup h ALA 151 Ca 0.45 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.21 1nup h ALA 151 Cb 0.68 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.32 1nup h ALA 151 CO -0.40 0.12 -0.44 0.45 0.00 0.00 0.00 179.25 178.98 1nup h HIS 152 N 0.63 0.63 -0.35 0.00 3.86 -0.92 -1.10 115.15 117.90 1nup h HIS 152 Ca 0.27 -0.28 0.04 0.00 -1.16 0.00 0.00 60.37 59.25 1nup h HIS 152 Cb 0.26 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.59 1nup h HIS 152 CO -0.00 1.04 0.11 0.82 0.86 0.00 0.00 177.93 180.76 1nup h ILE 153 N 0.05 0.88 -0.35 2.45 2.04 -0.68 -0.13 117.51 121.77 1nup h ILE 153 Ca -0.03 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 65.79 1nup h ILE 153 Cb 1.09 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 1nup h ILE 153 CO 0.09 0.05 0.12 -0.61 0.00 0.00 0.00 178.15 177.80 1nup h GLN 154 N 0.25 0.26 -0.90 2.37 4.15 -1.04 -2.46 115.11 117.74 1nup h GLN 154 Ca 0.16 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.55 1nup h GLN 154 Cb 0.15 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.74 1nup h GLN 154 CO -0.18 0.17 0.52 1.49 -1.93 0.00 0.00 178.83 178.91 1nup h GLU 155 N 0.27 1.23 -0.31 1.69 4.81 -0.49 0.13 114.58 121.90 1nup h GLU 155 Ca 0.16 -0.12 0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1nup h GLU 155 Cb 0.14 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 1nup h GLU 155 CO -0.17 0.87 0.12 0.82 -0.73 0.00 0.00 179.01 179.92 1nup h ILE 156 N 1.24 0.93 -0.00 2.32 2.04 -0.62 -0.42 117.51 122.99 1nup h ILE 156 Ca 0.32 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 66.09 1nup h ILE 156 Cb -0.02 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1nup h ILE 156 CO -0.06 0.05 -0.41 1.33 0.00 0.00 0.00 178.15 179.06 1nup n VAL 157 N -5.01 0.00 -0.11 1.67 0.24 -0.96 -1.44 118.33 112.72 1nup n VAL 157 Ca -0.00 -0.02 -0.18 0.00 -2.04 0.00 0.00 64.34 62.10 1nup n VAL 157 Cb 0.10 0.18 -0.09 0.00 -1.47 0.00 0.00 33.84 32.56 1nup n VAL 157 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1nup n GLU 158 N -1.38 0.50 0.08 7.34 2.13 0.42 -4.63 120.64 125.10 1nup n GLU 158 Ca 0.07 0.16 -0.22 0.00 0.66 0.00 0.00 57.16 57.82 1nup n GLU 158 Cb 0.33 -1.36 -0.15 0.00 0.27 0.00 0.00 31.44 30.53 1nup n GLU 158 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1nup h LYS 159 N -0.34 0.39 0.00 5.31 3.64 -1.25 -3.47 116.57 120.84 1nup h LYS 159 Ca -0.51 -0.66 0.00 0.00 -1.27 0.00 0.00 60.65 58.21 1nup h LYS 159 Cb 1.62 0.25 0.00 0.00 -0.41 0.00 0.00 32.23 33.69 1nup h LYS 159 CO -0.19 1.30 0.00 1.19 -2.27 0.00 0.00 179.45 179.48 1nup n PHE 160 N -3.58 0.00 -3.85 1.91 3.01 -1.09 -4.96 117.46 108.90 1nup n PHE 160 Ca -0.22 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.17 1nup n PHE 160 Cb 1.07 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.53 1nup n PHE 160 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1nup s GLY 161 N 0.00 -0.04 -0.06 1.37 0.00 -0.52 -4.67 107.32 103.40 1nup s GLY 161 Ca 0.00 -0.35 -0.00 0.00 0.00 0.00 0.00 44.72 44.37 1nup s GLY 161 CO 0.00 -0.10 -0.02 -2.27 0.00 0.00 0.00 173.10 170.71 1nup s LEU 162 N -2.94 0.99 -0.21 0.66 2.96 0.24 -1.00 118.68 119.39 1nup s LEU 162 Ca 0.12 -0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 53.90 1nup s LEU 162 Cb -0.06 -0.43 0.00 0.00 0.50 0.00 0.00 46.19 46.21 1nup s LEU 162 CO 0.07 -0.12 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.19 1nup s VAL 163 N 1.40 2.87 -0.17 1.68 1.01 0.26 -0.57 120.40 126.87 1nup s VAL 163 Ca -0.04 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 1nup s VAL 163 Cb -0.13 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 1nup s VAL 163 CO -0.03 0.46 -0.08 0.00 0.00 0.00 0.00 175.10 175.45 1nup s VAL 165 N 0.72 4.95 0.71 0.00 1.01 -0.58 -0.08 120.40 127.14 1nup s VAL 165 Ca -0.04 0.02 -0.16 0.00 0.00 0.00 0.00 61.98 61.80 1nup s VAL 165 Cb -0.15 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.03 1nup s VAL 165 CO 0.02 0.50 0.99 0.61 0.00 0.00 0.00 175.10 177.23 1nup n GLY 166 N 3.07 -0.36 3.08 4.51 0.00 -0.82 -0.61 105.19 114.05 1nup n GLY 166 Ca -0.17 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 1nup n GLY 166 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nup s ARG 167 N -3.30 0.23 0.23 1.61 0.52 -1.26 -4.68 118.95 112.29 1nup s ARG 167 Ca 0.74 0.33 -0.31 0.00 -0.52 0.00 0.00 55.73 55.97 1nup s ARG 167 Cb -0.35 0.07 -0.14 0.00 0.52 0.00 0.00 34.95 35.04 1nup s ARG 167 CO 0.49 -0.06 1.25 0.28 0.02 0.00 0.00 175.30 177.28 1nup n VAL 168 N 3.23 1.14 -0.74 3.52 0.31 -1.26 -1.56 118.33 122.97 1nup n VAL 168 Ca -0.15 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 1nup n VAL 168 Cb 0.57 -1.16 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 1nup n VAL 168 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1nup n SER 169 N 1.89 0.00 -4.37 4.52 7.64 -1.26 -5.03 113.62 117.01 1nup n SER 169 Ca 0.12 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.68 1nup n SER 169 Cb 0.29 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.34 1nup n SER 169 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1nup s HIS 170 N -3.49 2.49 -0.69 1.43 4.02 -0.60 -5.07 115.29 113.38 1nup s HIS 170 Ca 0.00 -0.37 0.03 0.00 1.02 0.00 0.00 55.06 55.74 1nup s HIS 170 Cb 0.00 -1.57 0.17 0.00 -1.02 0.00 0.00 32.58 30.16 1nup s HIS 170 CO 0.00 0.02 0.48 0.34 1.02 0.00 0.00 174.74 176.60 1nup s ASP 171 N -0.58 4.91 0.26 1.40 2.15 -1.26 -4.69 116.67 118.86 1nup s ASP 171 Ca 0.08 -3.60 -0.02 0.00 0.43 0.00 0.00 52.55 49.45 1nup s ASP 171 Cb -0.11 -1.69 0.50 0.00 -0.30 0.00 0.00 42.92 41.32 1nup s ASP 171 CO 0.00 -0.15 1.77 -0.65 -0.17 0.00 0.00 175.17 175.98 1nup h PRO 172 N 5.82 0.63 -0.79 4.34 0.11 -1.95 -0.96 132.00 139.20 1nup h PRO 172 Ca 0.09 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 66.20 1nup h PRO 172 Cb 0.80 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 31.73 1nup h PRO 172 CO 0.73 0.41 0.52 0.87 -0.21 0.00 0.00 178.00 180.32 1nup h LYS 173 N 0.64 0.93 -0.35 1.05 1.57 -2.00 -0.68 116.57 117.75 1nup h LYS 173 Ca 0.44 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 59.01 1nup h LYS 173 Cb 0.59 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 1nup h LYS 173 CO -0.34 0.62 -0.40 0.78 -0.57 0.00 0.00 179.45 179.54 1nup h GLY 174 N 0.96 0.96 0.83 3.86 0.00 -1.63 -1.11 103.07 106.94 1nup h GLY 174 Ca 0.32 -1.02 0.03 0.00 0.00 0.00 0.00 47.33 46.66 1nup h GLY 174 CO -0.09 0.92 0.39 -0.97 0.00 0.00 0.00 176.54 176.78 1nup h TYR 175 N 0.68 0.72 0.13 5.60 0.99 -0.78 0.69 116.97 125.00 1nup h TYR 175 Ca 0.05 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.79 1nup h TYR 175 Cb 1.00 -0.23 0.00 0.00 1.00 0.00 0.00 36.73 38.50 1nup h TYR 175 CO 0.07 0.40 -0.06 0.82 -0.00 0.00 0.00 178.16 179.38 1nup h ILE 176 N 0.75 0.99 -0.60 -2.88 2.04 -1.05 -2.23 117.51 114.53 1nup h ILE 176 Ca 0.26 -0.52 0.08 0.00 1.00 0.00 0.00 64.86 65.69 1nup h ILE 176 Cb 0.05 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 1nup h ILE 176 CO -0.12 0.12 0.40 0.00 0.00 0.00 0.00 178.15 178.55 1nup h ALA 177 N 0.41 1.90 -0.01 1.87 0.00 -0.86 -1.68 119.26 120.90 1nup h ALA 177 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1nup h ALA 177 Cb 0.34 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1nup h ALA 177 CO 0.03 -0.02 -0.19 0.39 0.00 0.00 0.00 179.25 179.47 1nup n GLU 178 N -4.48 0.77 -3.52 0.00 1.02 0.21 -4.76 120.64 109.88 1nup n GLU 178 Ca 0.09 -0.38 -0.39 0.00 -0.02 0.00 0.00 57.16 56.46 1nup n GLU 178 Cb 0.29 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 30.12 1nup n GLU 178 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1nup s SER 179 N -2.49 6.08 0.34 1.62 0.15 -0.64 -4.95 113.70 113.80 1nup s SER 179 Ca 0.26 -0.17 0.06 0.00 0.70 0.00 0.00 55.95 56.81 1nup s SER 179 Cb 0.20 -2.15 0.74 0.00 -1.71 0.00 0.00 66.02 63.10 1nup s SER 179 CO 0.50 -0.17 1.87 1.55 1.20 0.00 0.00 173.24 178.19 1nup h PRO 180 N 8.41 0.76 0.01 5.44 0.13 -1.86 -1.53 132.00 143.37 1nup h PRO 180 Ca -0.33 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1nup h PRO 180 Cb 1.17 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1nup h PRO 180 CO 0.61 0.50 -0.01 0.82 -0.23 0.00 0.00 178.00 179.70 1nup h ILE 181 N 0.78 1.55 -0.66 -3.56 2.04 -1.92 -3.32 117.51 112.41 1nup h ILE 181 Ca 0.45 -1.90 0.02 0.00 1.00 0.00 0.00 64.86 64.42 1nup h ILE 181 Cb 0.61 2.80 -0.04 0.00 -0.74 0.00 0.00 36.82 39.44 1nup h ILE 181 CO -0.21 0.48 0.43 -0.07 0.00 0.00 0.00 178.15 178.77 1nup h LEU 182 N -0.86 0.72 -2.57 1.44 3.38 -1.77 -2.55 115.31 113.09 1nup h LEU 182 Ca -0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1nup h LEU 182 Cb 0.79 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1nup h LEU 182 CO 0.00 0.51 -0.02 0.08 0.09 0.00 0.00 178.44 179.11 1nup h ARG 183 N 0.86 0.00 -0.00 1.13 0.11 -1.16 -0.99 114.38 114.32 1nup h ARG 183 Ca 0.25 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.33 1nup h ARG 183 Cb -0.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.04 1nup h ARG 183 CO -0.08 0.02 -0.16 -1.33 0.10 0.00 0.00 179.97 178.51 1nup n MET 184 N -3.38 0.39 -2.02 0.08 2.81 -0.96 -4.02 117.12 110.03 1nup n MET 184 Ca -0.03 -0.14 -0.08 0.00 -1.81 0.00 0.00 57.70 55.65 1nup n MET 184 Cb 0.12 -1.50 0.06 0.00 -0.71 0.00 0.00 33.22 31.19 1nup n MET 184 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1nup n HIS 185 N -1.18 1.47 0.30 2.03 8.25 -0.38 -4.85 115.22 120.86 1nup n HIS 185 Ca 0.11 -1.86 0.16 0.00 -0.26 0.00 0.00 57.72 55.87 1nup n HIS 185 Cb 0.30 -0.26 0.94 0.00 1.12 0.00 0.00 29.99 32.09 1nup n HIS 185 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1nup h GLN 186 N 2.00 0.00 0.00 -0.41 4.20 -1.68 -1.66 115.11 117.55 1nup h GLN 186 Ca 0.06 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 1nup h GLN 186 Cb 1.42 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.19 1nup h GLN 186 CO 0.36 0.02 -0.10 1.25 -0.67 0.00 0.00 178.83 179.69 1nup h HIS 187 N 0.00 0.00 -0.63 2.96 2.76 -1.92 -2.03 115.15 116.29 1nup h HIS 187 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1nup h HIS 187 Cb 0.06 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.02 1nup h HIS 187 CO 0.00 0.10 0.00 0.09 -1.30 0.00 0.00 177.93 176.82 1nup n ASN 188 N -4.03 4.58 -4.17 3.26 5.03 -0.63 -4.86 115.26 114.44 1nup n ASN 188 Ca -0.02 -2.40 -0.33 0.00 0.87 0.00 0.00 54.58 52.70 1nup n ASN 188 Cb 0.19 -0.55 -0.16 0.00 -1.02 0.00 0.00 39.78 38.24 1nup n ASN 188 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1nup s ILE 189 N -1.75 2.22 -0.20 2.41 1.01 -0.77 -0.59 121.20 123.53 1nup s ILE 189 Ca 0.49 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 60.23 1nup s ILE 189 Cb 0.31 -1.92 0.01 0.00 0.01 0.00 0.00 42.46 40.87 1nup s ILE 189 CO 0.25 0.53 -0.13 -1.00 0.00 0.00 0.00 174.94 174.59 1nup s HIS 190 N 1.06 2.89 -0.36 3.97 3.76 0.26 -4.95 115.29 121.93 1nup s HIS 190 Ca -0.01 -1.42 -0.15 0.00 -0.15 0.00 0.00 55.06 53.33 1nup s HIS 190 Cb -0.14 -2.00 -0.01 0.00 1.11 0.00 0.00 32.58 31.54 1nup s HIS 190 CO -0.07 -0.72 0.33 -0.51 -0.85 0.00 0.00 174.74 172.92 1nup s LEU 191 N 1.35 4.58 -0.26 0.89 1.43 -1.26 -0.01 118.68 125.40 1nup s LEU 191 Ca 0.04 -0.41 -0.09 0.00 -1.03 0.00 0.00 54.13 52.64 1nup s LEU 191 Cb -0.14 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.78 1nup s LEU 191 CO -0.08 -0.34 0.13 0.00 0.23 0.00 0.00 176.35 176.28 1nup s ALA 192 N 1.90 3.37 0.02 4.21 0.00 0.89 -4.97 121.76 127.18 1nup s ALA 192 Ca 0.09 -1.08 -0.30 0.00 0.00 0.00 0.00 51.96 50.67 1nup s ALA 192 Cb -0.17 -2.27 -0.03 0.00 0.00 0.00 0.00 23.12 20.65 1nup s ALA 192 CO 0.11 -0.47 0.97 0.15 0.00 0.00 0.00 175.76 176.53 1nup s LYS 193 N 1.59 4.58 -0.66 0.00 1.02 -1.26 -1.95 119.74 123.06 1nup s LYS 193 Ca 0.07 1.42 -0.18 0.00 0.02 0.00 0.00 55.97 57.30 1nup s LYS 193 Cb -0.15 -3.45 0.13 0.00 -0.52 0.00 0.00 37.83 33.84 1nup s LYS 193 CO 0.07 -0.01 0.74 -2.00 -0.92 0.00 0.00 175.35 173.23 1nup s GLU 194 N 0.84 3.17 0.34 1.68 2.56 -1.26 -4.89 118.70 121.14 1nup s GLU 194 Ca 0.51 -1.57 0.26 0.00 0.00 0.00 0.00 54.97 54.17 1nup s GLU 194 Cb -0.21 -4.36 1.17 0.00 2.00 0.00 0.00 34.13 32.72 1nup s GLU 194 CO 0.28 -1.51 1.78 -1.00 -0.56 0.00 0.00 175.26 174.25 1nup h PRO 195 N 8.92 0.00 -5.84 4.30 0.13 -1.98 -3.44 132.00 134.10 1nup h PRO 195 Ca -0.19 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.31 1nup h PRO 195 Cb 1.08 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.14 1nup h PRO 195 CO 1.05 0.00 -0.31 0.08 -0.23 0.00 0.00 178.00 178.59 1nup s VAL 196 N -3.47 5.22 -1.32 1.56 1.01 -1.26 -5.01 120.40 117.12 1nup s VAL 196 Ca 0.02 0.60 -0.13 0.00 0.00 0.00 0.00 61.98 62.46 1nup s VAL 196 Cb 0.09 -3.60 0.11 0.00 0.00 0.00 0.00 36.38 32.98 1nup s VAL 196 CO 0.37 0.57 1.85 1.67 0.00 0.00 0.00 175.10 179.56 1nup n GLN 197 N 2.04 3.27 -3.79 2.72 -0.06 -1.26 -4.87 117.38 115.43 1nup n GLN 197 Ca -0.16 -3.29 -0.34 0.00 -2.00 0.00 0.00 57.00 51.21 1nup n GLN 197 Cb 0.53 -3.17 -0.11 0.00 -4.06 0.00 0.00 30.24 23.44 1nup n GLN 197 CO 0.00 0.00 0.00 1.21 -0.20 0.00 0.00 177.06 178.07 1nup s ASN 198 N 2.62 5.05 -0.86 1.69 3.04 -1.26 -4.99 114.94 120.23 1nup s ASN 198 Ca 0.45 -3.16 0.00 0.00 0.04 0.00 0.00 52.86 50.20 1nup s ASN 198 Cb 0.07 -1.78 0.23 0.00 -1.54 0.00 0.00 41.25 38.23 1nup s ASN 198 CO -0.01 -0.27 0.84 1.21 -3.04 0.00 0.00 177.10 175.84 1nup n GLU 199 N 3.02 2.79 -3.20 0.43 4.07 -1.26 -4.94 120.64 121.55 1nup n GLU 199 Ca 0.11 -4.53 -0.40 0.00 -0.06 0.00 0.00 57.16 52.27 1nup n GLU 199 Cb 0.36 -2.38 -0.07 0.00 -0.06 0.00 0.00 31.44 29.28 1nup n GLU 199 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1nup s ILE 200 N -1.80 5.05 -0.16 6.31 1.01 -1.26 -5.05 121.20 125.30 1nup s ILE 200 Ca 0.30 0.97 -0.15 0.00 0.00 0.00 0.00 60.65 61.78 1nup s ILE 200 Cb -0.01 -3.86 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 1nup s ILE 200 CO -0.08 0.08 0.33 -0.55 0.00 0.00 0.00 174.94 174.72 1nup s SER 201 N 1.46 6.47 0.46 3.58 0.15 -1.26 -4.89 113.70 119.66 1nup s SER 201 Ca 0.23 0.55 0.14 0.00 0.70 0.00 0.00 55.95 57.57 1nup s SER 201 Cb -0.16 -2.20 1.05 0.00 -1.71 0.00 0.00 66.02 63.01 1nup s SER 201 CO 0.09 0.07 2.04 0.00 1.20 0.00 0.00 173.24 176.64 1nup h ALA 202 N 6.74 1.78 -0.60 5.45 0.00 -1.93 -0.96 119.26 129.74 1nup h ALA 202 Ca -0.41 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1nup h ALA 202 Cb 1.17 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1nup h ALA 202 CO 0.75 0.17 0.35 1.15 0.00 0.00 0.00 179.25 181.67 1nup h THR 203 N 0.06 1.19 -0.60 0.00 2.02 -1.93 -0.34 112.91 113.32 1nup h THR 203 Ca 0.01 -0.44 -0.05 0.00 0.77 0.00 0.00 66.41 66.70 1nup h THR 203 Cb 0.20 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 1nup h THR 203 CO 0.01 0.20 0.17 0.22 0.37 0.00 0.00 175.52 176.49 1nup h TYR 204 N 0.81 0.98 -0.39 3.16 3.20 -1.66 -1.24 116.97 121.83 1nup h TYR 204 Ca 0.21 -0.11 0.03 0.00 3.14 0.00 0.00 58.73 62.01 1nup h TYR 204 Cb 0.01 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 37.97 1nup h TYR 204 CO -0.02 0.82 0.19 0.82 -1.64 0.00 0.00 178.16 178.33 1nup h ILE 205 N 0.85 0.97 -0.63 1.81 1.08 -0.54 -0.02 117.51 121.03 1nup h ILE 205 Ca 0.19 -0.13 -0.03 0.00 -0.39 0.00 0.00 64.86 64.49 1nup h ILE 205 Cb 0.31 0.55 -0.03 0.00 -3.07 0.00 0.00 36.82 34.58 1nup h ILE 205 CO -0.00 0.07 0.26 0.03 -0.69 0.00 0.00 178.15 177.82 1nup h ARG 206 N 0.38 0.94 -0.34 2.37 3.08 -0.87 -1.07 114.38 118.88 1nup h ARG 206 Ca 0.17 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1nup h ARG 206 Cb 0.08 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1nup h ARG 206 CO -0.12 0.79 0.07 -0.09 -1.07 0.00 0.00 179.97 179.54 1nup h ARG 207 N 0.88 0.56 -0.36 0.04 2.43 -0.75 -0.57 114.38 116.61 1nup h ARG 207 Ca 0.21 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1nup h ARG 207 Cb 0.19 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 1nup h ARG 207 CO -0.02 0.63 0.22 0.00 -1.51 0.00 0.00 179.97 179.29 1nup h ALA 208 N 0.91 0.45 -0.63 2.80 0.00 -0.93 -1.12 119.26 120.74 1nup h ALA 208 Ca 0.11 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1nup h ALA 208 Cb 0.33 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1nup h ALA 208 CO 0.00 -0.07 0.36 -0.07 0.00 0.00 0.00 179.25 179.48 1nup h LEU 209 N 0.47 0.56 -1.99 0.00 3.38 -1.03 0.56 115.31 117.26 1nup h LEU 209 Ca 0.13 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1nup h LEU 209 Cb -0.02 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1nup h LEU 209 CO -0.03 0.38 -0.01 1.23 0.09 0.00 0.00 178.44 180.10 1nup h GLY 210 N 0.69 0.00 -1.23 0.83 0.00 -0.57 -1.17 103.07 101.62 1nup h GLY 210 Ca 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1nup h GLY 210 CO -0.15 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.33 1nup n GLN 211 N -4.53 1.97 -1.28 4.80 6.02 -0.46 -4.92 117.38 118.98 1nup n GLN 211 Ca -0.03 -1.44 -0.03 0.00 -0.01 0.00 0.00 57.00 55.49 1nup n GLN 211 Cb 0.10 -1.44 -0.01 0.00 1.02 0.00 0.00 30.24 29.90 1nup n GLN 211 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nup n GLY 212 N 1.25 0.54 3.92 1.08 0.00 -0.44 -5.03 105.19 106.51 1nup n GLY 212 Ca 0.17 -0.91 -0.26 0.00 0.00 0.00 0.00 46.02 45.02 1nup n GLY 212 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nup s GLN 213 N -2.62 3.55 0.36 1.61 -0.21 0.06 -5.01 119.66 117.40 1nup s GLN 213 Ca 0.00 -0.18 -0.27 0.00 0.02 0.00 0.00 55.36 54.93 1nup s GLN 213 Cb 0.00 -2.67 -0.09 0.00 1.00 0.00 0.00 33.01 31.25 1nup s GLN 213 CO 0.00 0.19 1.16 0.45 -2.12 0.00 0.00 175.29 174.97 1nup s SER 214 N -3.59 6.79 -0.05 5.90 0.15 -1.26 -4.24 113.70 117.39 1nup s SER 214 Ca 0.42 2.35 0.07 0.00 0.70 0.00 0.00 55.95 59.49 1nup s SER 214 Cb -0.10 -2.62 0.10 0.00 -1.71 0.00 0.00 66.02 61.69 1nup s SER 214 CO 0.33 -0.49 0.97 1.33 1.20 0.00 0.00 173.24 176.58 1nup n VAL 215 N 0.48 0.92 -1.76 4.45 0.24 -1.26 -4.95 118.33 116.46 1nup n VAL 215 Ca 0.02 -1.06 -0.40 0.00 -2.04 0.00 0.00 64.34 60.86 1nup n VAL 215 Cb 0.45 0.31 0.02 0.00 -1.47 0.00 0.00 33.84 33.16 1nup n VAL 215 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1nup n LYS 216 N -0.64 2.14 -0.67 7.34 4.81 -1.26 -1.18 118.16 128.70 1nup n LYS 216 Ca 0.06 0.77 0.00 0.00 -0.87 0.00 0.00 58.31 58.27 1nup n LYS 216 Cb 0.54 -2.62 0.00 0.00 0.02 0.00 0.00 35.03 32.96 1nup n LYS 216 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1nup n TYR 217 N -0.38 0.00 -0.09 5.64 4.02 -1.26 -4.76 117.16 120.33 1nup n TYR 217 Ca 0.06 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.86 1nup n TYR 217 Cb 0.42 -0.36 -0.13 0.00 -0.02 0.00 0.00 39.34 39.25 1nup n TYR 217 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1nup n LEU 218 N 0.00 0.55 -4.14 7.72 4.77 -0.32 -4.97 117.00 120.61 1nup n LEU 218 Ca 0.00 -0.02 -0.11 0.00 -0.03 0.00 0.00 56.01 55.85 1nup n LEU 218 Cb 0.00 0.20 -0.10 0.00 -2.33 0.00 0.00 43.42 41.19 1nup n LEU 218 CO 0.00 0.51 -0.39 0.27 -1.33 0.00 0.00 177.39 176.45 1nup s ILE 219 N -2.42 0.61 0.37 -0.08 -4.36 -1.13 -1.22 121.20 112.96 1nup s ILE 219 Ca -0.12 -1.75 -0.27 0.00 -0.26 0.00 0.00 60.65 58.25 1nup s ILE 219 Cb 0.06 -1.44 -0.12 0.00 1.25 0.00 0.00 42.46 42.21 1nup s ILE 219 CO 0.67 -0.79 1.17 -2.65 0.24 0.00 0.00 174.94 173.58 1nup n PRO 220 N 0.28 1.77 -0.23 0.37 -0.02 -1.26 -4.79 135.00 131.12 1nup n PRO 220 Ca -0.14 0.62 0.03 0.00 -2.02 0.00 0.00 63.50 61.99 1nup n PRO 220 Cb 0.60 -2.18 0.15 0.00 -0.02 0.00 0.00 33.50 32.04 1nup n PRO 220 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1nup h ASP 221 N 2.12 0.04 0.02 2.55 3.32 -1.98 -0.84 116.42 121.64 1nup h ASP 221 Ca -0.45 0.13 -0.03 0.00 0.02 0.00 0.00 57.03 56.70 1nup h ASP 221 Cb 1.31 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 41.01 1nup h ASP 221 CO 0.60 0.00 -0.08 0.00 -1.72 0.00 0.00 179.24 178.05 1nup h ALA 222 N 1.54 1.67 -0.20 3.45 0.00 -1.91 -1.53 119.26 122.28 1nup h ALA 222 Ca 0.37 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.97 1nup h ALA 222 Cb 0.58 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1nup h ALA 222 CO -0.45 0.24 -0.56 0.28 0.00 0.00 0.00 179.25 178.77 1nup h VAL 223 N 0.15 1.31 -0.50 0.00 2.07 -1.49 -1.80 116.25 115.99 1nup h VAL 223 Ca 0.03 -1.80 -0.02 0.00 0.82 0.00 0.00 66.70 65.74 1nup h VAL 223 Cb 0.25 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1nup h VAL 223 CO 0.01 0.56 0.25 0.40 0.02 0.00 0.00 177.57 178.82 1nup h ILE 224 N 0.47 1.19 -0.51 4.57 2.04 -0.74 -0.71 117.51 123.82 1nup h ILE 224 Ca 0.01 -0.52 -0.04 0.00 1.00 0.00 0.00 64.86 65.31 1nup h ILE 224 Cb 1.12 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 1nup h ILE 224 CO 0.11 0.21 0.18 0.74 0.00 0.00 0.00 178.15 179.39 1nup h THR 225 N 0.67 1.22 -0.53 -0.27 2.02 -1.20 -1.71 112.91 113.10 1nup h THR 225 Ca 0.17 -0.72 0.02 0.00 0.77 0.00 0.00 66.41 66.66 1nup h THR 225 Cb 0.10 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 1nup h THR 225 CO -0.02 0.27 0.32 0.22 0.37 0.00 0.00 175.52 176.68 1nup h TYR 226 N 0.70 0.60 -0.53 3.16 3.20 -1.00 0.17 116.97 123.27 1nup h TYR 226 Ca 0.17 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.08 1nup h TYR 226 Cb 0.24 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 1nup h TYR 226 CO 0.01 0.35 0.32 0.82 -1.64 0.00 0.00 178.16 178.02 1nup h ILE 227 N 0.64 1.06 -0.24 1.81 2.04 -0.77 -0.83 117.51 121.22 1nup h ILE 227 Ca 0.21 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1nup h ILE 227 Cb 0.01 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1nup h ILE 227 CO -0.09 0.12 0.01 0.50 0.00 0.00 0.00 178.15 178.68 1nup h LYS 228 N 0.64 0.42 -0.21 2.37 3.64 -0.79 -0.86 116.57 121.78 1nup h LYS 228 Ca 0.21 -0.13 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1nup h LYS 228 Cb 0.01 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1nup h LYS 228 CO -0.09 0.59 0.14 -0.44 -2.27 0.00 0.00 179.45 177.38 1nup h ASP 229 N 0.20 0.23 -0.53 4.20 3.32 -0.26 -2.25 116.42 121.33 1nup h ASP 229 Ca 0.07 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1nup h ASP 229 Cb 0.39 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1nup h ASP 229 CO 0.01 0.16 0.00 1.41 -1.72 0.00 0.00 179.24 179.10 1nup n HIS 230 N -4.51 0.72 -3.80 4.55 8.25 -0.35 -4.97 115.22 115.11 1nup n HIS 230 Ca 0.00 -0.51 -0.27 0.00 -0.26 0.00 0.00 57.72 56.69 1nup n HIS 230 Cb 0.09 -0.02 0.04 0.00 1.12 0.00 0.00 29.99 31.21 1nup n HIS 230 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nup n GLY 231 N 1.03 -0.45 3.89 -1.41 0.00 -0.45 -4.97 105.19 102.83 1nup n GLY 231 Ca 0.18 0.18 -0.29 0.00 0.00 0.00 0.00 46.02 46.09 1nup n GLY 231 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nup s LEU 232 N -7.11 3.77 -1.46 0.99 1.43 -0.47 -4.36 118.68 111.47 1nup s LEU 232 Ca 0.47 0.99 -0.11 0.00 -1.03 0.00 0.00 54.13 54.46 1nup s LEU 232 Cb -0.23 -3.90 0.05 0.00 0.03 0.00 0.00 46.19 42.14 1nup s LEU 232 CO 0.81 -0.46 1.02 -1.22 0.23 0.00 0.00 176.35 176.73 1nup n TYR 233 N -1.69 -2.44 1.25 0.29 0.53 -1.26 -4.84 117.16 109.01 1nup n TYR 233 Ca 0.01 0.93 0.13 0.00 -1.02 0.00 0.00 57.90 57.96 1nup n TYR 233 Cb 0.54 -4.35 0.31 0.00 -1.03 0.00 0.00 39.34 34.81 1nup n TYR 233 CO 0.00 0.00 0.00 0.25 -1.02 0.00 0.00 176.86 176.09