#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rxm s ILE 2 N 0.00 1.33 -0.31 1.12 1.01 -0.85 -2.88 121.20 120.62 1rxm s ILE 2 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.14 1rxm s ILE 2 Cb 0.00 -1.26 0.14 0.00 0.01 0.00 0.00 42.46 41.35 1rxm s ILE 2 CO 0.00 0.41 0.29 -0.62 0.00 0.00 0.00 174.94 175.02 1rxm s ASP 3 N 1.29 1.84 0.21 3.58 2.15 -0.01 -0.85 116.67 124.88 1rxm s ASP 3 Ca -0.01 -1.10 0.11 0.00 0.43 0.00 0.00 52.55 51.97 1rxm s ASP 3 Cb -0.14 0.37 -0.04 0.00 -0.30 0.00 0.00 42.92 42.81 1rxm s ASP 3 CO -0.05 -0.36 -0.17 0.68 -0.17 0.00 0.00 175.17 175.10 1rxm s VAL 4 N 2.03 2.71 -0.10 1.11 -7.23 -0.73 -1.67 120.40 116.53 1rxm s VAL 4 Ca 0.12 -1.97 -0.01 0.00 -1.81 0.00 0.00 61.98 58.30 1rxm s VAL 4 Cb -0.15 -2.35 0.03 0.00 0.56 0.00 0.00 36.38 34.47 1rxm s VAL 4 CO -0.24 -0.18 -0.04 -0.63 -0.31 0.00 0.00 175.10 173.69 1rxm s ILE 5 N -1.87 0.75 0.35 -0.62 1.01 -0.02 -0.70 121.20 120.09 1rxm s ILE 5 Ca 0.24 -0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.81 1rxm s ILE 5 Cb -0.08 -0.83 -0.04 0.00 0.01 0.00 0.00 42.46 41.52 1rxm s ILE 5 CO 0.13 0.32 0.11 0.00 0.00 0.00 0.00 174.94 175.50 1rxm s MET 6 N 1.82 1.74 0.50 2.79 0.23 0.11 -1.07 119.30 125.42 1rxm s MET 6 Ca 0.05 -2.01 -0.05 0.00 -1.03 0.00 0.00 55.69 52.64 1rxm s MET 6 Cb -0.12 -0.53 -0.03 0.00 -1.53 0.00 0.00 34.83 32.62 1rxm s MET 6 CO -0.07 -0.38 0.81 0.95 -2.03 0.00 0.00 175.02 174.30 1rxm s THR 7 N -3.37 4.69 0.18 3.16 -4.23 -1.26 0.20 115.64 115.01 1rxm s THR 7 Ca 0.31 0.18 -0.12 0.00 -1.18 0.00 0.00 61.69 60.88 1rxm s THR 7 Cb 0.05 -3.79 0.08 0.00 1.34 0.00 0.00 72.50 70.18 1rxm s THR 7 CO 0.15 -0.79 1.76 1.23 -0.54 0.00 0.00 174.62 176.43 1rxm h GLY 8 N 0.14 0.94 0.69 3.99 0.00 0.19 -2.34 103.07 106.68 1rxm h GLY 8 Ca -0.47 -0.46 0.06 0.00 0.00 0.00 0.00 47.33 46.46 1rxm h GLY 8 CO 0.61 0.44 0.34 -2.09 0.00 0.00 0.00 176.54 175.85 1rxm h GLU 9 N 0.83 0.62 -0.03 4.80 4.81 -1.56 0.32 114.58 124.38 1rxm h GLU 9 Ca 0.21 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1rxm h GLU 9 Cb 0.12 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 1rxm h GLU 9 CO -0.03 0.41 0.01 1.25 -0.73 0.00 0.00 179.01 179.93 1rxm h LEU 10 N 0.64 0.03 -0.47 1.64 5.85 -1.81 -1.51 115.31 119.68 1rxm h LEU 10 Ca 0.28 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 1rxm h LEU 10 Cb 0.17 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1rxm h LEU 10 CO -0.18 0.15 0.09 0.25 -0.34 0.00 0.00 178.44 178.42 1rxm h LEU 11 N -0.09 0.73 -1.82 2.25 5.85 -1.01 -2.52 115.31 118.70 1rxm h LEU 11 Ca 0.01 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 1rxm h LEU 11 Cb 0.13 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 1rxm h LEU 11 CO -0.00 0.79 -0.14 0.11 -0.34 0.00 0.00 178.44 178.86 1rxm h LYS 12 N 0.63 0.00 0.01 1.25 1.57 -0.34 -2.59 116.57 117.10 1rxm h LYS 12 Ca 0.14 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.70 1rxm h LYS 12 Cb 0.36 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.69 1rxm h LYS 12 CO 0.01 0.14 -0.89 1.15 -0.57 0.00 0.00 179.45 179.29 1rxm h THR 13 N 0.00 1.34 0.06 -0.16 2.02 -0.85 -2.96 112.91 112.36 1rxm h THR 13 Ca -0.00 -2.20 -0.24 0.00 0.77 0.00 0.00 66.41 64.74 1rxm h THR 13 Cb 0.37 2.49 -0.01 0.00 -1.74 0.00 0.00 68.15 69.26 1rxm h THR 13 CO 0.02 0.66 -1.07 -0.37 0.37 0.00 0.00 175.52 175.13 1rxm h VAL 14 N 0.20 1.53 -0.76 3.16 -1.51 -1.41 -1.42 116.25 116.04 1rxm h VAL 14 Ca -0.11 -2.95 -0.05 0.00 -1.23 0.00 0.00 66.70 62.36 1rxm h VAL 14 Cb 1.57 2.75 -0.03 0.00 -2.13 0.00 0.00 31.29 33.45 1rxm h VAL 14 CO 0.17 0.86 0.27 0.71 -1.23 0.00 0.00 177.57 178.35 1rxm h THR 15 N 0.09 1.26 -0.05 7.19 1.35 -1.58 -0.70 112.91 120.47 1rxm h THR 15 Ca -0.08 -0.87 -0.02 0.00 -0.55 0.00 0.00 66.41 64.89 1rxm h THR 15 Cb 1.78 0.40 -0.00 0.00 -1.73 0.00 0.00 68.15 68.59 1rxm h THR 15 CO 0.17 0.35 -0.04 -0.09 -0.25 0.00 0.00 175.52 175.65 1rxm h ARG 16 N 1.11 0.12 -0.84 4.72 2.43 -1.52 0.18 114.38 120.58 1rxm h ARG 16 Ca 0.25 -0.06 0.15 0.00 -0.81 0.00 0.00 59.98 59.51 1rxm h ARG 16 Cb 0.27 -0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 29.72 1rxm h ARG 16 CO -0.01 0.54 0.42 0.00 -1.51 0.00 0.00 179.97 179.41 1rxm h ALA 17 N 0.58 1.27 0.09 2.80 0.00 -1.07 -1.52 119.26 121.42 1rxm h ALA 17 Ca 0.01 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1rxm h ALA 17 Cb 0.51 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1rxm h ALA 17 CO 0.01 -0.12 -0.05 0.82 0.00 0.00 0.00 179.25 179.91 1rxm h ILE 18 N 0.59 1.03 0.00 0.00 2.04 -1.03 -3.29 117.51 116.85 1rxm h ILE 18 Ca 0.47 -1.38 0.00 0.00 1.00 0.00 0.00 64.86 64.95 1rxm h ILE 18 Cb 0.68 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 1rxm h ILE 18 CO -0.38 0.29 0.14 0.58 0.00 0.00 0.00 178.15 178.78 1rxm h VAL 19 N -0.86 0.00 0.00 1.67 2.07 -0.44 -0.36 116.25 118.32 1rxm h VAL 19 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1rxm h VAL 19 Cb 0.57 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1rxm h VAL 19 CO 0.02 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.61 1rxm h ALA 20 N 1.70 1.00 0.00 1.67 0.00 -1.34 -3.31 119.26 118.97 1rxm h ALA 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rxm h ALA 20 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1rxm h ALA 20 CO 0.00 0.00 -0.92 1.28 0.00 0.00 0.00 179.25 179.61 1rxm n LEU 21 N -2.93 2.10 -4.36 0.00 4.77 -0.19 -5.06 117.00 111.33 1rxm n LEU 21 Ca -0.01 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.78 1rxm n LEU 21 Cb 0.17 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.15 1rxm n LEU 21 CO 0.22 0.35 -0.39 0.68 -1.33 0.00 0.00 177.39 176.92 1rxm s VAL 22 N -1.92 1.47 -0.21 4.08 -7.23 -0.91 -4.13 120.40 111.56 1rxm s VAL 22 Ca 0.00 -2.12 0.09 0.00 -1.81 0.00 0.00 61.98 58.14 1rxm s VAL 22 Cb 0.00 -2.22 -0.21 0.00 0.56 0.00 0.00 36.38 34.50 1rxm s VAL 22 CO 0.00 -0.46 -0.01 -0.24 -0.31 0.00 0.00 175.10 174.08 1rxm n SER 23 N -0.43 1.05 -4.47 4.85 2.88 -1.26 -4.05 113.62 112.18 1rxm n SER 23 Ca -0.07 -0.02 -0.24 0.00 -1.33 0.00 0.00 58.87 57.21 1rxm n SER 23 Cb 0.62 0.21 -0.10 0.00 -0.75 0.00 0.00 64.21 64.19 1rxm n SER 23 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1rxm s GLU 24 N -2.51 1.67 -0.01 -1.46 2.02 -1.26 -0.57 118.70 116.57 1rxm s GLU 24 Ca -0.21 -1.79 -0.28 0.00 0.02 0.00 0.00 54.97 52.71 1rxm s GLU 24 Cb 0.07 -1.68 0.10 0.00 0.10 0.00 0.00 34.13 32.73 1rxm s GLU 24 CO 0.73 0.27 0.83 0.00 0.02 0.00 0.00 175.26 177.11 1rxm s ALA 25 N -2.59 -1.80 -0.23 5.21 0.00 -0.37 -4.85 121.76 117.14 1rxm s ALA 25 Ca 0.30 1.07 -0.15 0.00 0.00 0.00 0.00 51.96 53.18 1rxm s ALA 25 Cb -0.03 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.28 1rxm s ALA 25 CO 0.14 -0.59 0.37 1.03 0.00 0.00 0.00 175.76 176.72 1rxm s ARG 26 N -2.60 4.10 -0.19 0.00 0.52 -1.26 -0.79 118.95 118.74 1rxm s ARG 26 Ca 0.01 0.10 -0.04 0.00 -0.52 0.00 0.00 55.73 55.28 1rxm s ARG 26 Cb -0.01 -3.59 -0.02 0.00 0.52 0.00 0.00 34.95 31.86 1rxm s ARG 26 CO -0.05 -0.13 -0.04 0.42 0.02 0.00 0.00 175.30 175.52 1rxm s ILE 27 N 1.61 3.68 -0.22 1.52 1.01 -0.38 -4.29 121.20 124.13 1rxm s ILE 27 Ca 0.17 -0.41 -0.07 0.00 0.00 0.00 0.00 60.65 60.33 1rxm s ILE 27 Cb -0.15 -2.64 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 1rxm s ILE 27 CO 0.08 0.45 0.06 -1.00 0.00 0.00 0.00 174.94 174.54 1rxm s HIS 28 N 0.89 3.13 -0.54 3.97 3.76 0.15 -1.58 115.29 125.06 1rxm s HIS 28 Ca -0.00 -0.23 -0.13 0.00 -0.15 0.00 0.00 55.06 54.54 1rxm s HIS 28 Cb -0.15 -2.16 0.13 0.00 1.11 0.00 0.00 32.58 31.52 1rxm s HIS 28 CO 0.01 -0.15 0.47 -0.06 -0.85 0.00 0.00 174.74 174.16 1rxm s PHE 29 N 1.08 3.35 0.31 1.40 0.40 -0.67 -0.26 117.98 123.58 1rxm s PHE 29 Ca 0.04 -1.56 0.07 0.00 -0.60 0.00 0.00 56.93 54.87 1rxm s PHE 29 Cb -0.14 -3.70 -0.02 0.00 0.51 0.00 0.00 43.02 39.67 1rxm s PHE 29 CO 0.03 -1.01 0.37 -0.51 0.70 0.00 0.00 175.22 174.80 1rxm s LEU 30 N 1.37 3.93 0.43 -0.37 1.43 0.93 -3.03 118.68 123.37 1rxm s LEU 30 Ca 0.05 -0.22 0.22 0.00 -1.03 0.00 0.00 54.13 53.15 1rxm s LEU 30 Cb -0.27 -2.59 1.19 0.00 0.03 0.00 0.00 46.19 44.55 1rxm s LEU 30 CO 0.01 -0.29 1.81 -0.33 0.23 0.00 0.00 176.35 177.77 1rxm h GLU 31 N 1.11 0.30 -0.62 1.70 4.39 -1.97 0.15 114.58 119.64 1rxm h GLU 31 Ca -0.47 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1rxm h GLU 31 Cb 1.25 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1rxm h GLU 31 CO 0.57 0.20 0.00 1.63 -1.16 0.00 0.00 179.01 180.25 1rxm n LYS 32 N -4.51 2.57 0.00 2.33 5.02 -1.26 -4.88 118.16 117.42 1rxm n LYS 32 Ca 0.23 -2.42 0.00 0.00 -2.02 0.00 0.00 58.31 54.10 1rxm n LYS 32 Cb 0.89 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 34.37 1rxm n LYS 32 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rxm n GLY 33 N 1.57 0.83 3.78 0.72 0.00 0.51 -2.39 105.19 110.22 1rxm n GLY 33 Ca 0.22 -2.01 -0.39 0.00 0.00 0.00 0.00 46.02 43.85 1rxm n GLY 33 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rxm s LEU 34 N 0.00 4.44 0.03 0.99 0.20 -0.42 -0.05 118.68 123.87 1rxm s LEU 34 Ca 0.00 1.13 0.01 0.00 0.69 0.00 0.00 54.13 55.96 1rxm s LEU 34 Cb 0.00 -2.85 -0.02 0.00 -0.43 0.00 0.00 46.19 42.89 1rxm s LEU 34 CO 0.00 0.17 -0.06 -2.28 -0.29 0.00 0.00 176.35 173.89 1rxm s HIS 35 N -0.47 0.50 -0.16 5.38 5.65 0.63 -1.41 115.29 125.42 1rxm s HIS 35 Ca 0.29 -0.48 -0.30 0.00 0.25 0.00 0.00 55.06 54.82 1rxm s HIS 35 Cb -0.18 -0.31 0.13 0.00 -1.18 0.00 0.00 32.58 31.04 1rxm s HIS 35 CO 0.16 -0.11 1.04 0.45 -0.65 0.00 0.00 174.74 175.63 1rxm s SER 36 N -1.42 -0.32 -0.07 9.88 0.15 -0.75 0.30 113.70 121.47 1rxm s SER 36 Ca -0.11 0.30 -0.30 0.00 0.70 0.00 0.00 55.95 56.53 1rxm s SER 36 Cb -0.09 0.27 0.08 0.00 -1.71 0.00 0.00 66.02 64.57 1rxm s SER 36 CO -0.00 -0.33 0.76 0.00 1.20 0.00 0.00 173.24 174.87 1rxm s ARG 37 N -1.36 0.95 0.19 5.44 1.70 -1.26 0.05 118.95 124.67 1rxm s ARG 37 Ca 0.01 0.19 -0.19 0.00 -0.47 0.00 0.00 55.73 55.27 1rxm s ARG 37 Cb -0.01 0.45 0.04 0.00 -0.57 0.00 0.00 34.95 34.86 1rxm s ARG 37 CO -0.01 -0.30 0.56 0.00 -1.08 0.00 0.00 175.30 174.47 1rxm s ALA 38 N -1.30 -1.12 -0.04 7.88 0.00 -0.88 -4.74 121.76 121.55 1rxm s ALA 38 Ca -0.08 -0.06 0.06 0.00 0.00 0.00 0.00 51.96 51.88 1rxm s ALA 38 Cb -0.00 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 23.96 1rxm s ALA 38 CO 0.07 -0.82 -0.24 0.08 0.00 0.00 0.00 175.76 174.85 1rxm s VAL 39 N -3.85 1.94 0.83 0.00 1.01 -1.26 -1.72 120.40 117.35 1rxm s VAL 39 Ca 0.07 -1.02 -0.11 0.00 0.00 0.00 0.00 61.98 60.93 1rxm s VAL 39 Cb -0.01 -1.63 0.09 0.00 0.00 0.00 0.00 36.38 34.83 1rxm s VAL 39 CO -0.04 0.54 1.09 1.51 0.00 0.00 0.00 175.10 178.20 1rxm s ASP 40 N -0.29 3.95 0.00 3.32 3.84 -0.65 -4.79 116.67 122.05 1rxm s ASP 40 Ca 0.01 1.74 0.07 0.00 -0.00 0.00 0.00 52.55 54.37 1rxm s ASP 40 Cb -0.12 -2.40 0.41 0.00 -1.38 0.00 0.00 42.92 39.43 1rxm s ASP 40 CO 0.02 -2.38 0.82 -0.81 -0.00 0.00 0.00 175.17 172.82 1rxm n PRO 41 N -3.74 0.34 0.05 2.11 -0.04 -1.26 -1.74 135.00 130.73 1rxm n PRO 41 Ca 0.08 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.63 1rxm n PRO 41 Cb 0.54 -1.32 -0.07 0.00 -0.04 0.00 0.00 33.50 32.61 1rxm n PRO 41 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rxm n ALA 42 N -0.82 2.47 -2.91 0.55 0.00 -1.26 -4.95 120.51 113.59 1rxm n ALA 42 Ca 0.05 -0.42 -0.10 0.00 0.00 0.00 0.00 53.44 52.97 1rxm n ALA 42 Cb 0.02 -0.93 0.03 0.00 0.00 0.00 0.00 19.45 18.57 1rxm n ALA 42 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1rxm n ASN 43 N -2.58 -3.79 -0.00 0.00 4.05 -0.71 -4.94 115.26 107.29 1rxm n ASN 43 Ca -0.04 -0.21 -0.00 0.00 0.45 0.00 0.00 54.58 54.77 1rxm n ASN 43 Cb 0.63 -2.39 -0.00 0.00 1.23 0.00 0.00 39.78 39.25 1rxm n ASN 43 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1rxm n VAL 44 N -3.58 0.02 -4.35 3.44 0.31 -1.26 -4.97 118.33 107.94 1rxm n VAL 44 Ca -0.00 -0.01 -0.27 0.00 -0.01 0.00 0.00 64.34 64.05 1rxm n VAL 44 Cb 0.53 -0.68 -0.13 0.00 -0.91 0.00 0.00 33.84 32.65 1rxm n VAL 44 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rxm s ALA 45 N -2.01 2.14 -0.01 3.52 0.00 -1.26 -0.95 121.76 123.18 1rxm s ALA 45 Ca -0.00 -1.38 0.03 0.00 0.00 0.00 0.00 51.96 50.60 1rxm s ALA 45 Cb 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 23.12 22.80 1rxm s ALA 45 CO 0.01 0.46 -0.09 1.41 0.00 0.00 0.00 175.76 177.54 1rxm s MET 46 N -2.03 0.86 -0.06 0.00 1.75 -0.02 -1.63 119.30 118.17 1rxm s MET 46 Ca 0.11 -0.33 0.05 0.00 -1.25 0.00 0.00 55.69 54.27 1rxm s MET 46 Cb -0.10 -0.82 -0.01 0.00 2.84 0.00 0.00 34.83 36.75 1rxm s MET 46 CO 0.05 0.17 -0.21 0.54 -0.65 0.00 0.00 175.02 174.93 1rxm s VAL 47 N -0.06 1.73 -0.14 10.11 0.11 -0.70 -0.20 120.40 131.25 1rxm s VAL 47 Ca 0.01 -0.88 0.01 0.00 -2.93 0.00 0.00 61.98 58.19 1rxm s VAL 47 Cb -0.06 -1.48 0.02 0.00 -1.53 0.00 0.00 36.38 33.34 1rxm s VAL 47 CO -0.00 0.49 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.48 1rxm s ILE 48 N 0.01 1.58 -0.09 7.04 1.01 0.19 -2.07 121.20 128.87 1rxm s ILE 48 Ca -0.06 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 59.95 1rxm s ILE 48 Cb -0.13 -1.47 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 1rxm s ILE 48 CO 0.03 0.46 -0.11 -0.69 0.00 0.00 0.00 174.94 174.64 1rxm s VAL 49 N 1.36 3.33 -0.06 2.92 1.01 0.11 -0.33 120.40 128.73 1rxm s VAL 49 Ca 0.02 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 1rxm s VAL 49 Cb -0.13 -2.37 0.04 0.00 0.00 0.00 0.00 36.38 33.92 1rxm s VAL 49 CO -0.09 0.56 0.11 -1.81 0.00 0.00 0.00 175.10 173.88 1rxm s ASP 50 N -0.28 0.96 -0.31 3.32 1.11 -0.57 -1.81 116.67 119.09 1rxm s ASP 50 Ca 0.03 0.20 0.03 0.00 0.18 0.00 0.00 52.55 52.98 1rxm s ASP 50 Cb -0.13 0.07 0.09 0.00 1.07 0.00 0.00 42.92 44.02 1rxm s ASP 50 CO 0.03 -0.25 0.03 -0.63 1.18 0.00 0.00 175.17 175.53 1rxm s ILE 51 N 2.23 1.94 0.33 0.77 1.01 -0.50 -1.56 121.20 125.43 1rxm s ILE 51 Ca 0.04 -1.98 -0.29 0.00 0.00 0.00 0.00 60.65 58.42 1rxm s ILE 51 Cb -0.12 -2.37 -0.11 0.00 0.01 0.00 0.00 42.46 39.87 1rxm s ILE 51 CO -0.04 -0.50 1.47 -2.16 0.00 0.00 0.00 174.94 173.71 1rxm s PRO 52 N 1.10 4.17 0.38 2.79 0.04 -1.26 -1.30 135.00 140.92 1rxm s PRO 52 Ca 0.07 2.48 0.21 0.00 0.04 0.00 0.00 61.00 63.80 1rxm s PRO 52 Cb -0.19 -3.02 1.30 0.00 0.04 0.00 0.00 34.50 32.64 1rxm s PRO 52 CO -0.11 -0.48 1.61 1.57 0.04 0.00 0.00 177.00 179.63 1rxm h LYS 53 N 3.76 0.10 0.00 4.56 2.10 -1.81 0.53 116.57 125.80 1rxm h LYS 53 Ca -0.49 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 1rxm h LYS 53 Cb 1.23 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 1rxm h LYS 53 CO 0.70 0.06 0.00 -0.44 -2.00 0.00 0.00 179.45 177.77 1rxm h ASP 54 N 0.10 0.00 0.23 7.07 5.19 -1.90 -0.84 116.42 126.27 1rxm h ASP 54 Ca 0.82 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 57.06 1rxm h ASP 54 Cb 2.18 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.68 1rxm h ASP 54 CO -0.66 0.00 -0.65 0.28 -3.12 0.00 0.00 179.24 175.09 1rxm h SER 55 N 0.00 0.45 -3.97 6.45 0.02 -0.23 -3.44 113.55 112.83 1rxm h SER 55 Ca 0.00 -0.27 -0.51 0.00 -0.84 0.00 0.00 61.79 60.17 1rxm h SER 55 Cb 0.10 -0.13 0.06 0.00 0.14 0.00 0.00 62.40 62.56 1rxm h SER 55 CO 0.00 0.98 0.49 -0.36 -1.14 0.00 0.00 176.83 176.80 1rxm s PHE 56 N -3.74 2.97 0.13 3.45 0.08 -0.32 -4.89 117.98 115.66 1rxm s PHE 56 Ca -0.06 1.55 -0.05 0.00 0.12 0.00 0.00 56.93 58.50 1rxm s PHE 56 Cb 0.11 -3.38 -0.09 0.00 -0.57 0.00 0.00 43.02 39.09 1rxm s PHE 56 CO 0.83 -1.39 1.31 0.93 -0.10 0.00 0.00 175.22 176.80 1rxm h GLU 57 N 2.32 0.42 -3.73 0.44 4.39 -1.38 -3.44 114.58 113.60 1rxm h GLU 57 Ca -0.49 -0.45 -0.21 0.00 0.34 0.00 0.00 59.36 58.55 1rxm h GLU 57 Cb 1.24 0.12 -0.27 0.00 -0.10 0.00 0.00 28.75 29.75 1rxm h GLU 57 CO 0.61 1.11 -0.69 0.08 -1.16 0.00 0.00 179.01 178.95 1rxm s VAL 58 N -3.30 0.02 -0.40 3.13 1.01 -1.06 -4.98 120.40 114.83 1rxm s VAL 58 Ca -0.06 -0.17 0.05 0.00 0.00 0.00 0.00 61.98 61.81 1rxm s VAL 58 Cb 0.09 -0.08 0.17 0.00 0.00 0.00 0.00 36.38 36.55 1rxm s VAL 58 CO 0.87 -0.09 0.49 -0.47 0.00 0.00 0.00 175.10 175.90 1rxm s TYR 59 N -0.27 -0.90 -0.09 5.22 5.04 -1.26 -0.84 117.35 124.25 1rxm s TYR 59 Ca -0.03 -0.43 0.02 0.00 -2.44 0.00 0.00 57.07 54.20 1rxm s TYR 59 Cb -0.02 -0.10 -0.02 0.00 0.35 0.00 0.00 41.96 42.18 1rxm s TYR 59 CO -0.00 -1.06 -0.16 -0.80 -1.34 0.00 0.00 175.55 172.19 1rxm s ASN 60 N 1.53 3.84 0.15 4.32 0.01 -0.67 -4.99 114.94 119.12 1rxm s ASN 60 Ca 0.18 -0.32 -0.07 0.00 -0.71 0.00 0.00 52.86 51.94 1rxm s ASN 60 Cb -0.10 -1.23 -0.02 0.00 0.41 0.00 0.00 41.25 40.32 1rxm s ASN 60 CO -0.05 0.24 0.22 0.27 -1.51 0.00 0.00 177.10 176.28 1rxm s ILE 61 N -0.09 0.08 -0.06 0.60 -4.36 -1.26 -0.83 121.20 115.28 1rxm s ILE 61 Ca -0.03 -1.51 0.15 0.00 -0.26 0.00 0.00 60.65 59.00 1rxm s ILE 61 Cb -0.14 -1.87 -0.22 0.00 1.25 0.00 0.00 42.46 41.48 1rxm s ILE 61 CO 0.04 -0.36 0.26 0.47 0.24 0.00 0.00 174.94 175.59 1rxm n ASP 62 N -0.18 1.47 -3.10 4.36 10.43 -1.14 -4.98 116.55 123.41 1rxm n ASP 62 Ca -0.07 0.00 -0.08 0.00 2.57 0.00 0.00 54.79 57.21 1rxm n ASP 62 Cb 0.63 1.46 0.02 0.00 1.84 0.00 0.00 41.12 45.07 1rxm n ASP 62 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1rxm s GLU 63 N -2.86 2.06 -0.29 -1.24 2.02 -1.26 -5.01 118.70 112.11 1rxm s GLU 63 Ca -0.06 -1.30 -0.21 0.00 0.02 0.00 0.00 54.97 53.41 1rxm s GLU 63 Cb 0.08 0.59 -0.01 0.00 0.10 0.00 0.00 34.13 34.90 1rxm s GLU 63 CO 0.63 -0.96 0.68 -1.21 0.02 0.00 0.00 175.26 174.41 1rxm s GLU 64 N -2.51 3.97 0.30 1.61 2.02 -1.26 -4.95 118.70 117.88 1rxm s GLU 64 Ca 0.16 0.44 0.09 0.00 0.02 0.00 0.00 54.97 55.68 1rxm s GLU 64 Cb -0.05 -3.71 -0.05 0.00 0.10 0.00 0.00 34.13 30.42 1rxm s GLU 64 CO 0.10 -0.57 0.01 0.21 0.02 0.00 0.00 175.26 175.03 1rxm s LYS 65 N 2.68 2.18 -0.03 1.61 2.47 -1.17 -4.99 119.74 122.50 1rxm s LYS 65 Ca 0.27 -1.58 0.03 0.00 -1.56 0.00 0.00 55.97 53.13 1rxm s LYS 65 Cb -0.15 -2.05 0.00 0.00 -1.46 0.00 0.00 37.83 34.17 1rxm s LYS 65 CO 0.11 0.25 -0.10 0.99 0.16 0.00 0.00 175.35 176.76 1rxm s THR 66 N -2.42 0.84 0.09 3.43 2.01 -1.26 -1.67 115.64 116.66 1rxm s THR 66 Ca 0.33 -0.40 0.05 0.00 0.31 0.00 0.00 61.69 61.99 1rxm s THR 66 Cb -0.04 -0.74 -0.03 0.00 0.01 0.00 0.00 72.50 71.70 1rxm s THR 66 CO 0.20 0.26 -0.14 0.27 -0.69 0.00 0.00 174.62 174.51 1rxm s ILE 67 N 0.14 1.20 -0.34 1.82 -4.36 -0.62 -4.88 121.20 114.17 1rxm s ILE 67 Ca -0.03 -1.46 -0.14 0.00 -0.26 0.00 0.00 60.65 58.76 1rxm s ILE 67 Cb -0.08 -1.25 -0.02 0.00 1.25 0.00 0.00 42.46 42.36 1rxm s ILE 67 CO 0.01 -0.29 0.32 -0.83 0.24 0.00 0.00 174.94 174.38 1rxm s GLY 68 N -1.99 1.92 -0.05 6.27 0.00 -0.89 -1.24 107.32 111.33 1rxm s GLY 68 Ca 0.02 -1.24 0.03 0.00 0.00 0.00 0.00 44.72 43.54 1rxm s GLY 68 CO 0.02 0.91 -0.14 0.14 0.00 0.00 0.00 173.10 174.04 1rxm s VAL 69 N 1.92 3.13 -0.78 1.40 1.01 0.03 0.83 120.40 127.93 1rxm s VAL 69 Ca 0.10 -0.70 -0.23 0.00 0.00 0.00 0.00 61.98 61.15 1rxm s VAL 69 Cb -0.17 -2.23 0.07 0.00 0.00 0.00 0.00 36.38 34.05 1rxm s VAL 69 CO 0.11 0.59 1.14 -0.62 0.00 0.00 0.00 175.10 176.32 1rxm s ASP 70 N -0.72 6.31 0.39 3.32 -1.08 -1.26 -1.23 116.67 122.39 1rxm s ASP 70 Ca 0.11 -1.14 0.11 0.00 -0.52 0.00 0.00 52.55 51.11 1rxm s ASP 70 Cb -0.11 -2.47 0.78 0.00 -1.46 0.00 0.00 42.92 39.67 1rxm s ASP 70 CO 0.01 -1.47 1.89 0.24 0.52 0.00 0.00 175.17 176.36 1rxm h MET 71 N 9.56 0.12 -0.66 4.34 2.86 -1.16 -1.89 114.93 128.10 1rxm h MET 71 Ca -0.13 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.45 1rxm h MET 71 Cb 1.05 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.66 1rxm h MET 71 CO 1.23 0.35 0.29 -0.44 1.06 0.00 0.00 176.91 179.40 1rxm h ASP 72 N 0.11 0.87 -0.12 1.22 3.32 -1.80 0.58 116.42 120.60 1rxm h ASP 72 Ca 0.02 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 56.88 1rxm h ASP 72 Cb 0.48 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1rxm h ASP 72 CO 0.03 0.75 -0.26 0.03 -1.72 0.00 0.00 179.24 178.08 1rxm h ARG 73 N 0.95 0.39 -0.56 3.56 3.08 -1.72 -1.71 114.38 118.35 1rxm h ARG 73 Ca 0.23 -0.26 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 1rxm h ARG 73 Cb 0.14 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1rxm h ARG 73 CO -0.03 0.86 0.10 0.82 -1.07 0.00 0.00 179.97 180.66 1rxm h ILE 74 N -0.03 1.24 0.36 2.04 1.08 -1.19 -1.26 117.51 119.75 1rxm h ILE 74 Ca 0.00 -0.90 -0.02 0.00 -0.39 0.00 0.00 64.86 63.55 1rxm h ILE 74 Cb 0.85 0.70 0.00 0.00 -3.07 0.00 0.00 36.82 35.31 1rxm h ILE 74 CO 0.06 0.33 -0.17 0.15 -0.69 0.00 0.00 178.15 177.83 1rxm h PHE 75 N 0.84 -0.44 -0.94 1.37 3.57 -0.89 -0.30 116.94 120.14 1rxm h PHE 75 Ca 0.18 -0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.85 1rxm h PHE 75 Cb 0.35 0.15 -0.11 0.00 2.79 0.00 0.00 35.95 39.14 1rxm h PHE 75 CO 0.02 -0.19 0.53 0.22 -2.23 0.00 0.00 178.31 176.66 1rxm h ASP 76 N -0.62 0.65 0.12 0.41 3.58 -1.06 -1.73 116.42 117.77 1rxm h ASP 76 Ca -0.05 0.10 -0.20 0.00 0.42 0.00 0.00 57.03 57.30 1rxm h ASP 76 Cb 0.45 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.50 1rxm h ASP 76 CO 0.08 0.22 -0.78 0.40 -2.88 0.00 0.00 179.24 176.28 1rxm h ILE 77 N 0.67 1.34 0.00 2.25 1.08 -0.97 -3.23 117.51 118.66 1rxm h ILE 77 Ca 0.54 -2.12 0.00 0.00 -0.39 0.00 0.00 64.86 62.90 1rxm h ILE 77 Cb 0.86 2.10 0.00 0.00 -3.07 0.00 0.00 36.82 36.71 1rxm h ILE 77 CO -0.40 0.65 0.00 -1.54 -0.69 0.00 0.00 178.15 176.17 1rxm n SER 78 N -3.86 0.34 0.26 1.72 3.41 -0.15 -1.52 113.62 113.83 1rxm n SER 78 Ca -0.06 0.62 0.15 0.00 -0.26 0.00 0.00 58.87 59.32 1rxm n SER 78 Cb 0.74 -0.68 0.66 0.00 -0.26 0.00 0.00 64.21 64.67 1rxm n SER 78 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1rxm h LYS 79 N 0.00 0.00 0.00 4.33 1.57 -1.55 -2.18 116.57 118.74 1rxm h LYS 79 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1rxm h LYS 79 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1rxm h LYS 79 CO 0.00 0.07 -0.51 0.43 -0.57 0.00 0.00 179.45 178.88 1rxm n SER 80 N -3.23 0.58 -4.78 0.86 7.64 -0.57 -4.83 113.62 109.28 1rxm n SER 80 Ca 0.00 0.05 -0.39 0.00 1.01 0.00 0.00 58.87 59.54 1rxm n SER 80 Cb 0.32 0.10 -0.06 0.00 -1.01 0.00 0.00 64.21 63.56 1rxm n SER 80 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1rxm s ILE 81 N -3.09 4.79 0.40 0.44 1.01 -0.82 -5.06 121.20 118.86 1rxm s ILE 81 Ca 0.09 1.29 -0.10 0.00 0.00 0.00 0.00 60.65 61.92 1rxm s ILE 81 Cb 0.15 -3.94 -0.06 0.00 0.01 0.00 0.00 42.46 38.61 1rxm s ILE 81 CO 0.69 0.48 0.76 -0.55 0.00 0.00 0.00 174.94 176.32 1rxm s SER 82 N -0.61 6.52 0.14 3.58 0.15 -1.26 -4.98 113.70 117.24 1rxm s SER 82 Ca 0.31 1.11 -0.20 0.00 0.70 0.00 0.00 55.95 57.87 1rxm s SER 82 Cb -0.19 -2.31 0.01 0.00 -1.71 0.00 0.00 66.02 61.82 1rxm s SER 82 CO 0.19 -0.39 1.68 0.74 1.20 0.00 0.00 173.24 176.66 1rxm h THR 83 N 1.12 0.67 -0.13 6.45 2.02 -1.96 -1.47 112.91 119.61 1rxm h THR 83 Ca -0.47 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1rxm h THR 83 Cb 1.19 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1rxm h THR 83 CO 0.64 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.82 1rxm n LYS 84 N -5.26 1.59 -2.78 6.66 5.02 -1.26 -1.92 118.16 120.21 1rxm n LYS 84 Ca -0.01 -0.89 -0.34 0.00 -2.02 0.00 0.00 58.31 55.04 1rxm n LYS 84 Cb 0.18 -1.38 -0.06 0.00 -0.02 0.00 0.00 35.03 33.75 1rxm n LYS 84 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1rxm s ASP 85 N -1.58 7.01 -0.14 4.39 -1.08 -0.55 -4.84 116.67 119.87 1rxm s ASP 85 Ca 0.32 1.76 -0.07 0.00 -0.52 0.00 0.00 52.55 54.04 1rxm s ASP 85 Cb 0.17 -2.55 -0.04 0.00 -1.46 0.00 0.00 42.92 39.03 1rxm s ASP 85 CO 0.26 -0.31 0.10 -0.76 0.52 0.00 0.00 175.17 174.98 1rxm s LEU 86 N -2.86 4.11 -0.03 -1.34 1.43 -1.26 0.54 118.68 119.28 1rxm s LEU 86 Ca 0.59 0.29 0.06 0.00 -1.03 0.00 0.00 54.13 54.04 1rxm s LEU 86 Cb -0.13 -2.01 -0.01 0.00 0.03 0.00 0.00 46.19 44.07 1rxm s LEU 86 CO 0.17 0.31 -0.19 0.54 0.23 0.00 0.00 176.35 177.41 1rxm s VAL 87 N -0.43 1.56 -0.21 -1.59 0.11 0.13 -4.51 120.40 115.47 1rxm s VAL 87 Ca 0.11 -0.82 -0.05 0.00 -2.93 0.00 0.00 61.98 58.28 1rxm s VAL 87 Cb -0.12 -1.31 -0.02 0.00 -1.53 0.00 0.00 36.38 33.39 1rxm s VAL 87 CO 0.02 0.44 0.01 -0.70 -3.33 0.00 0.00 175.10 171.54 1rxm s GLU 88 N -0.28 3.63 -0.20 1.54 2.12 0.15 -0.71 118.70 124.95 1rxm s GLU 88 Ca 0.03 -0.51 -0.08 0.00 0.36 0.00 0.00 54.97 54.77 1rxm s GLU 88 Cb -0.09 -3.11 -0.04 0.00 0.26 0.00 0.00 34.13 31.15 1rxm s GLU 88 CO 0.01 -0.01 0.08 -0.51 -0.54 0.00 0.00 175.26 174.29 1rxm s LEU 89 N 1.06 3.85 -0.04 2.70 1.43 0.12 0.21 118.68 128.00 1rxm s LEU 89 Ca 0.02 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.20 1rxm s LEU 89 Cb -0.14 -1.99 0.01 0.00 0.03 0.00 0.00 46.19 44.10 1rxm s LEU 89 CO 0.02 0.13 -0.06 -0.63 0.23 0.00 0.00 176.35 176.03 1rxm s ILE 90 N 0.63 0.64 -0.39 -0.59 1.01 0.90 -1.77 121.20 121.63 1rxm s ILE 90 Ca 0.04 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.48 1rxm s ILE 90 Cb -0.13 -0.61 0.12 0.00 0.01 0.00 0.00 42.46 41.85 1rxm s ILE 90 CO 0.01 0.23 0.17 -0.69 0.00 0.00 0.00 174.94 174.66 1rxm s VAL 91 N 0.57 1.33 0.00 2.92 1.01 -0.03 -0.38 120.40 125.82 1rxm s VAL 91 Ca -0.08 -2.14 0.00 0.00 0.00 0.00 0.00 61.98 59.75 1rxm s VAL 91 Cb -0.12 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.31 1rxm s VAL 91 CO 0.01 -0.79 0.00 -0.62 0.00 0.00 0.00 175.10 173.70 1rxm n GLU 92 N 4.06 0.00 -1.69 2.72 1.02 -1.26 -2.00 120.64 123.49 1rxm n GLU 92 Ca 0.04 0.30 -0.29 0.00 -0.02 0.00 0.00 57.16 57.19 1rxm n GLU 92 Cb 0.38 -0.78 0.15 0.00 -0.02 0.00 0.00 31.44 31.16 1rxm n GLU 92 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1rxm s ASP 93 N -2.90 3.43 -0.70 1.62 -4.77 -1.26 -4.74 116.67 107.35 1rxm s ASP 93 Ca 0.00 0.71 -0.02 0.00 -3.30 0.00 0.00 52.55 49.94 1rxm s ASP 93 Cb 0.00 -1.09 0.42 0.00 -1.09 0.00 0.00 42.92 41.15 1rxm s ASP 93 CO 0.00 -2.57 2.04 1.21 0.70 0.00 0.00 175.17 176.55 1rxm n GLU 94 N -3.74 2.68 0.00 2.11 0.00 -1.26 -4.28 120.64 116.15 1rxm n GLU 94 Ca 0.10 -3.29 0.00 0.00 0.00 0.00 0.00 57.16 53.96 1rxm n GLU 94 Cb 0.60 -2.27 0.00 0.00 0.00 0.00 0.00 31.44 29.77 1rxm n GLU 94 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1rxm n SER 95 N -0.78 0.00 -3.92 4.31 3.41 -1.26 -4.96 113.62 110.42 1rxm n SER 95 Ca 0.60 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 59.08 1rxm n SER 95 Cb 0.55 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.37 1rxm n SER 95 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1rxm s THR 96 N 0.00 0.16 -0.17 6.66 -4.23 -1.26 0.49 115.64 117.29 1rxm s THR 96 Ca 0.00 -0.21 -0.05 0.00 -1.18 0.00 0.00 61.69 60.26 1rxm s THR 96 Cb 0.00 -0.16 -0.03 0.00 1.34 0.00 0.00 72.50 73.65 1rxm s THR 96 CO 0.00 -0.03 -0.01 -0.22 -0.54 0.00 0.00 174.62 173.81 1rxm s LEU 97 N -0.26 3.35 -0.18 4.79 2.96 0.16 -4.49 118.68 125.02 1rxm s LEU 97 Ca -0.01 -0.11 -0.08 0.00 -0.22 0.00 0.00 54.13 53.71 1rxm s LEU 97 Cb -0.02 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 1rxm s LEU 97 CO -0.00 0.15 0.07 -0.54 -1.32 0.00 0.00 176.35 174.71 1rxm s LYS 98 N 0.51 3.95 -0.23 1.98 1.02 0.49 -1.21 119.74 126.24 1rxm s LYS 98 Ca -0.02 -0.32 0.02 0.00 0.02 0.00 0.00 55.97 55.67 1rxm s LYS 98 Cb -0.14 -3.22 0.05 0.00 -0.52 0.00 0.00 37.83 34.00 1rxm s LYS 98 CO 0.02 0.32 -0.11 0.08 -0.92 0.00 0.00 175.35 174.74 1rxm s VAL 99 N 0.25 1.95 -0.11 3.17 1.01 0.11 -0.07 120.40 126.71 1rxm s VAL 99 Ca 0.05 -1.34 -0.01 0.00 0.00 0.00 0.00 61.98 60.67 1rxm s VAL 99 Cb -0.12 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 1rxm s VAL 99 CO 0.00 0.08 -0.06 -0.54 0.00 0.00 0.00 175.10 174.58 1rxm s LYS 100 N 1.23 3.17 -0.21 2.72 1.02 0.13 -1.49 119.74 126.32 1rxm s LYS 100 Ca -0.05 -0.55 -0.27 0.00 0.02 0.00 0.00 55.97 55.12 1rxm s LYS 100 Cb -0.18 -2.72 0.11 0.00 -0.52 0.00 0.00 37.83 34.52 1rxm s LYS 100 CO -0.07 0.46 0.93 -0.59 -0.92 0.00 0.00 175.35 175.16 1rxm s PHE 101 N -0.25 -0.51 0.00 3.18 -0.12 -1.12 0.35 117.98 119.51 1rxm s PHE 101 Ca 0.04 1.09 0.00 0.00 -0.05 0.00 0.00 56.93 58.01 1rxm s PHE 101 Cb -0.13 0.38 0.00 0.00 -0.63 0.00 0.00 43.02 42.65 1rxm s PHE 101 CO 0.03 -0.34 0.00 0.41 -0.05 0.00 0.00 175.22 175.27 1rxm n GLY 102 N 1.63 2.89 1.30 1.99 0.00 -1.26 -1.75 105.19 109.99 1rxm n GLY 102 Ca -0.13 -0.32 -0.07 0.00 0.00 0.00 0.00 46.02 45.50 1rxm n GLY 102 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rxm n SER 103 N 3.11 2.62 -4.44 1.61 7.64 -1.26 -4.99 113.62 117.90 1rxm n SER 103 Ca 0.00 -3.76 -0.31 0.00 1.01 0.00 0.00 58.87 55.81 1rxm n SER 103 Cb 0.00 -0.66 -0.13 0.00 -1.01 0.00 0.00 64.21 62.41 1rxm n SER 103 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1rxm s VAL 104 N -3.26 2.74 -0.11 0.44 1.01 -0.71 -5.12 120.40 115.40 1rxm s VAL 104 Ca 0.46 -1.13 -0.00 0.00 0.00 0.00 0.00 61.98 61.31 1rxm s VAL 104 Cb 0.42 -2.13 0.02 0.00 0.00 0.00 0.00 36.38 34.69 1rxm s VAL 104 CO 0.01 0.39 -0.07 -0.70 0.00 0.00 0.00 175.10 174.72 1rxm s GLU 105 N -1.28 1.46 -0.14 2.72 2.12 -1.26 -2.79 118.70 119.53 1rxm s GLU 105 Ca 0.14 -0.24 -0.02 0.00 0.36 0.00 0.00 54.97 55.21 1rxm s GLU 105 Cb -0.10 -1.52 -0.02 0.00 0.26 0.00 0.00 34.13 32.75 1rxm s GLU 105 CO 0.04 -0.24 -0.08 -0.47 -0.54 0.00 0.00 175.26 173.96 1rxm s TYR 106 N 1.63 2.92 0.06 5.30 5.04 -0.55 -4.96 117.35 126.79 1rxm s TYR 106 Ca 0.03 -0.45 0.09 0.00 -2.44 0.00 0.00 57.07 54.31 1rxm s TYR 106 Cb -0.13 -1.90 -0.03 0.00 0.35 0.00 0.00 41.96 40.25 1rxm s TYR 106 CO -0.07 -0.11 -0.26 0.15 -1.34 0.00 0.00 175.55 173.93 1rxm s LYS 107 N 0.32 1.76 -0.14 4.97 1.02 -1.26 0.06 119.74 126.47 1rxm s LYS 107 Ca -0.07 -1.14 -0.14 0.00 0.02 0.00 0.00 55.97 54.64 1rxm s LYS 107 Cb -0.15 -1.99 0.04 0.00 -0.52 0.00 0.00 37.83 35.21 1rxm s LYS 107 CO 0.04 0.50 0.39 0.54 -0.92 0.00 0.00 175.35 175.90 1rxm s VAL 108 N -0.87 0.00 0.21 3.17 0.11 -0.35 -4.94 120.40 117.73 1rxm s VAL 108 Ca 0.13 -0.02 -0.31 0.00 -2.93 0.00 0.00 61.98 58.85 1rxm s VAL 108 Cb -0.10 -0.55 -0.10 0.00 -1.53 0.00 0.00 36.38 34.10 1rxm s VAL 108 CO 0.03 -0.01 1.47 0.00 -3.33 0.00 0.00 175.10 173.26 1rxm s ALA 109 N 0.14 3.67 0.64 1.54 0.00 -1.26 0.39 121.76 126.87 1rxm s ALA 109 Ca -0.01 1.31 -0.09 0.00 0.00 0.00 0.00 51.96 53.18 1rxm s ALA 109 Cb -0.03 -3.57 0.01 0.00 0.00 0.00 0.00 23.12 19.52 1rxm s ALA 109 CO 0.01 -0.74 0.99 -0.51 0.00 0.00 0.00 175.76 175.51 1rxm s LEU 110 N 0.27 3.11 -0.08 0.00 1.43 0.18 -4.77 118.68 118.82 1rxm s LEU 110 Ca 0.63 0.95 -0.00 0.00 -1.03 0.00 0.00 54.13 54.68 1rxm s LEU 110 Cb -0.42 -3.79 -0.03 0.00 0.03 0.00 0.00 46.19 41.98 1rxm s LEU 110 CO 0.38 -1.14 -0.04 -0.63 0.23 0.00 0.00 176.35 175.15 1rxm s ILE 111 N -3.15 3.96 -0.33 -0.59 1.01 0.24 -4.92 121.20 117.42 1rxm s ILE 111 Ca 0.55 -0.38 -0.27 0.00 0.00 0.00 0.00 60.65 60.55 1rxm s ILE 111 Cb -0.11 -2.64 -0.05 0.00 0.01 0.00 0.00 42.46 39.67 1rxm s ILE 111 CO 0.49 0.60 2.23 -0.62 0.00 0.00 0.00 174.94 177.63 1rxm s ASP 112 N -0.77 5.16 0.39 3.58 3.68 -1.26 -2.10 116.67 125.35 1rxm s ASP 112 Ca 0.12 1.51 0.24 0.00 2.13 0.00 0.00 52.55 56.55 1rxm s ASP 112 Cb -0.11 -2.51 1.36 0.00 -1.45 0.00 0.00 42.92 40.21 1rxm s ASP 112 CO 0.02 -2.25 1.60 1.55 0.13 0.00 0.00 175.17 176.21 1rxm h PRO 113 N 16.32 0.06 0.00 4.34 0.13 -1.89 1.11 132.00 152.06 1rxm h PRO 113 Ca -0.34 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1rxm h PRO 113 Cb 1.24 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1rxm h PRO 113 CO 1.04 0.04 0.00 0.66 -0.23 0.00 0.00 178.00 179.51 1rxm h SER 114 N 0.06 0.00 1.89 1.44 4.64 -1.99 -1.09 113.55 118.49 1rxm h SER 114 Ca 0.84 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 62.14 1rxm h SER 114 Cb 2.36 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.44 1rxm h SER 114 CO -0.62 0.00 -0.09 0.00 -0.87 0.00 0.00 176.83 175.25 1rxm h ALA 115 N 2.02 0.94 -2.71 5.18 0.00 0.92 -3.45 119.26 122.16 1rxm h ALA 115 Ca 0.00 -0.08 -0.54 0.00 0.00 0.00 0.00 54.91 54.29 1rxm h ALA 115 Cb 0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1rxm h ALA 115 CO 0.00 0.11 0.14 0.42 0.00 0.00 0.00 179.25 179.92 1rxm s ILE 116 N -3.18 4.51 -0.36 0.00 1.01 -0.41 -4.96 121.20 117.80 1rxm s ILE 116 Ca 0.06 1.61 -0.42 0.00 0.00 0.00 0.00 60.65 61.90 1rxm s ILE 116 Cb 0.06 -4.09 -0.17 0.00 0.01 0.00 0.00 42.46 38.27 1rxm s ILE 116 CO 0.68 0.49 1.79 -1.14 0.00 0.00 0.00 174.94 176.76 1rxm n ARG 117 N 1.88 0.78 -1.61 2.79 0.63 -1.26 -4.74 116.66 115.13 1rxm n ARG 117 Ca -0.06 0.28 -0.59 0.00 -0.92 0.00 0.00 57.85 56.56 1rxm n ARG 117 Cb 0.49 -1.94 -0.08 0.00 0.45 0.00 0.00 32.46 31.38 1rxm n ARG 117 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1rxm n LYS 118 N 5.49 0.53 -1.11 -0.14 5.02 -1.26 -4.86 118.16 121.83 1rxm n LYS 118 Ca 0.31 0.19 -0.34 0.00 -2.02 0.00 0.00 58.31 56.46 1rxm n LYS 118 Cb 0.08 -1.76 0.13 0.00 -0.02 0.00 0.00 35.03 33.45 1rxm n LYS 118 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1rxm n GLU 119 N 3.00 0.20 -1.71 1.97 0.28 -1.26 -5.00 120.64 118.11 1rxm n GLU 119 Ca 0.23 0.14 -0.29 0.00 -0.16 0.00 0.00 57.16 57.08 1rxm n GLU 119 Cb 0.09 -2.44 0.15 0.00 1.43 0.00 0.00 31.44 30.67 1rxm n GLU 119 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1rxm s PRO 120 N -4.10 0.94 -0.11 3.44 0.04 -1.26 -5.05 135.00 128.89 1rxm s PRO 120 Ca 0.74 -0.03 -0.09 0.00 0.04 0.00 0.00 61.00 61.66 1rxm s PRO 120 Cb -0.29 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 1rxm s PRO 120 CO 0.51 -2.28 0.20 1.03 0.04 0.00 0.00 177.00 176.50 1rxm s ARG 121 N -5.57 3.66 -0.31 4.56 0.52 -1.26 -5.01 118.95 115.54 1rxm s ARG 121 Ca 0.67 -0.03 -0.28 0.00 -0.52 0.00 0.00 55.73 55.58 1rxm s ARG 121 Cb -0.10 -3.24 -0.05 0.00 0.52 0.00 0.00 34.95 32.09 1rxm s ARG 121 CO 0.52 0.68 2.20 0.42 0.02 0.00 0.00 175.30 179.14 1rxm s ILE 122 N -0.78 3.07 1.14 1.52 1.01 -1.26 -4.93 121.20 120.97 1rxm s ILE 122 Ca 0.16 0.07 -0.15 0.00 0.00 0.00 0.00 60.65 60.72 1rxm s ILE 122 Cb -0.13 -3.12 0.19 0.00 0.01 0.00 0.00 42.46 39.42 1rxm s ILE 122 CO 0.05 -0.08 0.52 -0.81 0.00 0.00 0.00 174.94 174.62 1rxm n PRO 123 N 8.80 -1.93 -3.96 2.79 -0.04 -1.26 -5.00 135.00 134.40 1rxm n PRO 123 Ca 0.30 -0.54 -0.30 0.00 -0.04 0.00 0.00 63.50 62.92 1rxm n PRO 123 Cb 0.48 -1.94 -0.15 0.00 -0.04 0.00 0.00 33.50 31.85 1rxm n PRO 123 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1rxm s GLU 124 N -3.93 1.56 -0.32 0.54 2.02 -1.26 -5.07 118.70 112.24 1rxm s GLU 124 Ca 0.62 -2.06 -0.04 0.00 0.02 0.00 0.00 54.97 53.52 1rxm s GLU 124 Cb -0.19 -3.09 0.05 0.00 0.10 0.00 0.00 34.13 31.00 1rxm s GLU 124 CO 0.66 -1.01 0.05 -0.51 0.02 0.00 0.00 175.26 174.46 1rxm s LEU 125 N 0.55 4.12 -0.41 1.80 1.43 -1.26 -5.06 118.68 119.85 1rxm s LEU 125 Ca 0.13 -1.24 -0.16 0.00 -1.03 0.00 0.00 54.13 51.83 1rxm s LEU 125 Cb -0.21 -1.78 0.02 0.00 0.03 0.00 0.00 46.19 44.24 1rxm s LEU 125 CO -0.06 -0.30 0.37 -0.70 0.23 0.00 0.00 176.35 175.89 1rxm s GLU 126 N 1.31 3.08 0.15 1.70 2.12 -1.26 -5.06 118.70 120.74 1rxm s GLU 126 Ca -0.03 -0.85 0.10 0.00 0.36 0.00 0.00 54.97 54.55 1rxm s GLU 126 Cb -0.20 -3.96 -0.04 0.00 0.26 0.00 0.00 34.13 30.19 1rxm s GLU 126 CO 0.00 -0.78 -0.23 -0.51 -0.54 0.00 0.00 175.26 173.20 1rxm s LEU 127 N 1.93 2.37 0.00 2.70 1.43 -1.26 -5.06 118.68 120.78 1rxm s LEU 127 Ca 0.09 -0.79 0.00 0.00 -1.03 0.00 0.00 54.13 52.40 1rxm s LEU 127 Cb -0.18 -1.07 0.00 0.00 0.03 0.00 0.00 46.19 44.97 1rxm s LEU 127 CO 0.12 0.10 0.71 -2.65 0.23 0.00 0.00 176.35 174.86 1rxm n PRO 128 N 0.64 0.00 -2.31 1.29 -0.02 -1.23 -4.85 135.00 128.53 1rxm n PRO 128 Ca -0.16 0.46 -0.41 0.00 -2.02 0.00 0.00 63.50 61.37 1rxm n PRO 128 Cb 0.55 -1.33 -0.03 0.00 -0.02 0.00 0.00 33.50 32.67 1rxm n PRO 128 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rxm s ALA 129 N -2.96 3.46 -0.16 3.55 0.00 -0.85 -4.51 121.76 120.29 1rxm s ALA 129 Ca 0.00 1.06 -0.02 0.00 0.00 0.00 0.00 51.96 52.99 1rxm s ALA 129 Cb 0.00 -3.41 0.05 0.00 0.00 0.00 0.00 23.12 19.76 1rxm s ALA 129 CO 0.00 -0.40 0.01 0.21 0.00 0.00 0.00 175.76 175.58 1rxm s LYS 130 N -1.21 0.76 -0.06 0.00 2.36 -1.26 -1.81 119.74 118.53 1rxm s LYS 130 Ca 0.49 -0.29 0.04 0.00 -2.55 0.00 0.00 55.97 53.66 1rxm s LYS 130 Cb -0.35 -1.79 -0.00 0.00 -1.05 0.00 0.00 37.83 34.64 1rxm s LYS 130 CO 0.44 -0.52 -0.19 0.42 1.55 0.00 0.00 175.35 177.05 1rxm s ILE 131 N 1.85 1.64 -0.21 5.43 1.09 0.86 -2.97 121.20 128.89 1rxm s ILE 131 Ca 0.01 -0.81 0.01 0.00 -1.10 0.00 0.00 60.65 58.76 1rxm s ILE 131 Cb -0.15 -1.42 0.05 0.00 -1.06 0.00 0.00 42.46 39.88 1rxm s ILE 131 CO -0.07 0.47 -0.09 -0.69 -0.10 0.00 0.00 174.94 174.45 1rxm s VAL 132 N 0.20 1.68 0.22 2.92 1.01 -0.86 0.23 120.40 125.80 1rxm s VAL 132 Ca -0.10 -1.13 0.05 0.00 0.00 0.00 0.00 61.98 60.80 1rxm s VAL 132 Cb -0.14 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 1rxm s VAL 132 CO 0.04 0.08 0.16 1.15 0.00 0.00 0.00 175.10 176.54 1rxm n MET 133 N 4.65 0.34 -2.77 2.72 0.00 0.07 -0.49 117.12 121.64 1rxm n MET 133 Ca -0.14 -2.13 -0.42 0.00 0.00 0.00 0.00 57.70 55.01 1rxm n MET 133 Cb 0.45 1.64 -0.03 0.00 0.00 0.00 0.00 33.22 35.28 1rxm n MET 133 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1rxm s ASP 134 N -2.50 7.10 0.43 3.17 2.15 -1.26 -0.66 116.67 125.11 1rxm s ASP 134 Ca 0.23 1.36 0.17 0.00 0.43 0.00 0.00 52.55 54.74 1rxm s ASP 134 Cb 0.01 -2.51 1.09 0.00 -0.30 0.00 0.00 42.92 41.21 1rxm s ASP 134 CO 0.16 -0.45 1.90 0.00 -0.17 0.00 0.00 175.17 176.62 1rxm h ALA 135 N 7.23 2.18 -0.43 3.66 0.00 -0.92 -0.97 119.26 130.01 1rxm h ALA 135 Ca -0.29 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.64 1rxm h ALA 135 Cb 1.13 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1rxm h ALA 135 CO 0.86 -0.41 0.25 0.78 0.00 0.00 0.00 179.25 180.73 1rxm h GLY 136 N 0.38 0.60 1.00 0.00 0.00 -1.76 0.14 103.07 103.44 1rxm h GLY 136 Ca 0.40 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.52 1rxm h GLY 136 CO -0.13 0.16 -0.18 0.83 0.00 0.00 0.00 176.54 177.22 1rxm h GLU 137 N 0.51 -0.48 -0.62 4.80 4.39 -1.55 -1.84 114.58 119.78 1rxm h GLU 137 Ca 0.17 0.03 0.13 0.00 0.34 0.00 0.00 59.36 60.04 1rxm h GLU 137 Cb 0.02 0.11 -0.11 0.00 -0.10 0.00 0.00 28.75 28.67 1rxm h GLU 137 CO -0.08 -0.32 -0.03 0.35 -1.16 0.00 0.00 179.01 177.76 1rxm h PHE 138 N -0.51 -0.11 -0.62 4.33 3.57 -1.13 0.27 116.94 122.74 1rxm h PHE 138 Ca -0.05 0.05 0.10 0.00 3.53 0.00 0.00 57.97 61.60 1rxm h PHE 138 Cb 0.39 0.14 -0.08 0.00 2.79 0.00 0.00 35.95 39.20 1rxm h PHE 138 CO -0.05 -0.19 0.22 -0.22 -2.23 0.00 0.00 178.31 175.84 1rxm h LYS 139 N 0.09 0.38 -0.53 1.11 3.64 -0.37 -0.34 116.57 120.55 1rxm h LYS 139 Ca 0.32 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.59 1rxm h LYS 139 Cb 0.52 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1rxm h LYS 139 CO -0.56 0.25 -0.02 0.87 -2.27 0.00 0.00 179.45 177.72 1rxm h LYS 140 N 0.39 0.94 -0.28 1.90 1.57 -0.18 -2.01 116.57 118.90 1rxm h LYS 140 Ca 0.32 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1rxm h LYS 140 Cb 0.41 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1rxm h LYS 140 CO -0.33 0.97 0.18 0.00 -0.57 0.00 0.00 179.45 179.71 1rxm h ALA 141 N 0.94 0.35 -0.82 3.86 0.00 -0.14 -0.81 119.26 122.65 1rxm h ALA 141 Ca 0.15 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1rxm h ALA 141 Cb 0.56 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1rxm h ALA 141 CO 0.03 -0.17 0.49 0.82 0.00 0.00 0.00 179.25 180.42 1rxm h ILE 142 N 0.38 1.23 -0.57 0.00 1.08 -1.00 0.17 117.51 118.80 1rxm h ILE 142 Ca 0.10 -0.50 -0.03 0.00 -0.39 0.00 0.00 64.86 64.04 1rxm h ILE 142 Cb -0.04 0.08 -0.03 0.00 -3.07 0.00 0.00 36.82 33.77 1rxm h ILE 142 CO -0.02 0.24 0.25 0.00 -0.69 0.00 0.00 178.15 177.92 1rxm h ALA 143 N 1.26 0.74 0.63 1.87 0.00 -1.00 0.49 119.26 123.25 1rxm h ALA 143 Ca 0.29 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1rxm h ALA 143 Cb -0.04 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.53 1rxm h ALA 143 CO -0.06 0.33 -0.30 0.00 0.00 0.00 0.00 179.25 179.23 1rxm h ALA 144 N 1.09 -0.84 -0.86 0.00 0.00 -0.73 -2.69 119.26 115.23 1rxm h ALA 144 Ca 0.19 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 55.08 1rxm h ALA 144 Cb 0.17 0.33 -0.10 0.00 0.00 0.00 0.00 17.79 18.18 1rxm h ALA 144 CO -0.02 -0.96 0.43 0.00 0.00 0.00 0.00 179.25 178.70 1rxm h ALA 145 N -0.49 1.32 0.00 0.00 0.00 -0.68 -0.01 119.26 119.40 1rxm h ALA 145 Ca -0.09 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1rxm h ALA 145 Cb 0.65 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1rxm h ALA 145 CO 0.14 -0.15 0.29 0.22 0.00 0.00 0.00 179.25 179.76 1rxm h ASP 146 N 0.57 0.00 0.41 0.00 3.58 0.33 0.27 116.42 121.58 1rxm h ASP 146 Ca 0.49 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.94 1rxm h ASP 146 Cb 0.75 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.80 1rxm h ASP 146 CO -0.40 0.00 -0.20 0.29 -2.88 0.00 0.00 179.24 176.05 1rxm n LYS 147 N -2.88 0.55 -0.07 0.28 5.02 -0.02 -4.40 118.16 116.63 1rxm n LYS 147 Ca -0.02 -0.24 -0.15 0.00 -2.02 0.00 0.00 58.31 55.87 1rxm n LYS 147 Cb 0.34 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.80 1rxm n LYS 147 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1rxm n ILE 148 N -1.01 1.00 -4.45 -0.18 -0.00 0.92 -5.09 119.36 110.54 1rxm n ILE 148 Ca 0.12 -0.14 -0.23 0.00 -0.00 0.00 0.00 62.75 62.50 1rxm n ILE 148 Cb 0.31 -1.78 -0.09 0.00 -0.00 0.00 0.00 39.64 38.08 1rxm n ILE 148 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.55 176.11 1rxm s SER 149 N -6.39 2.35 0.00 4.38 0.01 -1.06 -4.43 113.70 108.57 1rxm s SER 149 Ca -0.22 -1.58 0.23 0.00 1.31 0.00 0.00 55.95 55.69 1rxm s SER 149 Cb 0.08 0.35 0.05 0.00 0.21 0.00 0.00 66.02 66.70 1rxm s SER 149 CO 0.28 -0.85 1.12 -0.90 0.41 0.00 0.00 173.24 173.30 1rxm n ASP 150 N -1.07 1.83 -4.06 2.44 5.75 -1.26 -4.52 116.55 115.66 1rxm n ASP 150 Ca -0.03 -1.40 -0.10 0.00 -0.01 0.00 0.00 54.79 53.24 1rxm n ASP 150 Cb 0.65 0.49 -0.11 0.00 -1.03 0.00 0.00 41.12 41.13 1rxm n ASP 150 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1rxm s GLN 151 N -2.53 0.52 0.10 0.11 -2.07 -1.26 -0.13 119.66 114.39 1rxm s GLN 151 Ca 0.18 -0.88 0.02 0.00 -1.82 0.00 0.00 55.36 52.86 1rxm s GLN 151 Cb 0.18 -0.07 -0.04 0.00 -1.09 0.00 0.00 33.01 31.99 1rxm s GLN 151 CO 0.60 -0.02 -0.07 0.14 -1.32 0.00 0.00 175.29 174.62 1rxm s VAL 152 N -2.18 0.71 -0.12 3.63 -7.23 -0.17 -4.55 120.40 110.48 1rxm s VAL 152 Ca -0.06 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 1rxm s VAL 152 Cb -0.05 -1.64 -0.02 0.00 0.56 0.00 0.00 36.38 35.23 1rxm s VAL 152 CO -0.03 -0.85 -0.12 -0.63 -0.31 0.00 0.00 175.10 173.16 1rxm s ILE 153 N -3.52 3.12 -0.37 -0.62 1.01 0.05 -0.39 121.20 120.49 1rxm s ILE 153 Ca 0.11 -0.64 -0.16 0.00 0.00 0.00 0.00 60.65 59.96 1rxm s ILE 153 Cb 0.05 -2.30 0.00 0.00 0.01 0.00 0.00 42.46 40.21 1rxm s ILE 153 CO -0.04 0.53 0.39 -0.36 0.00 0.00 0.00 174.94 175.46 1rxm s PHE 154 N 0.19 3.20 0.03 3.97 2.99 -0.06 -1.70 117.98 126.61 1rxm s PHE 154 Ca -0.07 -0.15 0.07 0.00 0.00 0.00 0.00 56.93 56.78 1rxm s PHE 154 Cb -0.15 -2.75 -0.03 0.00 0.00 0.00 0.00 43.02 40.09 1rxm s PHE 154 CO 0.05 -0.53 -0.19 0.50 -0.00 0.00 0.00 175.22 175.05 1rxm s ARG 155 N 2.06 2.08 -0.20 0.44 3.52 0.69 -2.25 118.95 125.29 1rxm s ARG 155 Ca 0.12 -0.97 -0.15 0.00 -0.13 0.00 0.00 55.73 54.61 1rxm s ARG 155 Cb -0.17 -2.17 0.06 0.00 -1.56 0.00 0.00 34.95 31.11 1rxm s ARG 155 CO 0.12 0.55 0.51 0.45 -0.81 0.00 0.00 175.30 176.12 1rxm s SER 156 N -1.29 -0.61 0.00 -2.12 0.15 -0.04 -0.43 113.70 109.36 1rxm s SER 156 Ca 0.14 1.08 0.00 0.00 0.70 0.00 0.00 55.95 57.87 1rxm s SER 156 Cb -0.10 1.02 0.00 0.00 -1.71 0.00 0.00 66.02 65.23 1rxm s SER 156 CO 0.04 -0.20 0.00 -0.90 1.20 0.00 0.00 173.24 173.38 1rxm n ASP 157 N 3.60 0.00 0.31 5.45 5.68 -1.08 -0.33 116.55 130.18 1rxm n ASP 157 Ca -0.18 -0.48 0.19 0.00 -0.50 0.00 0.00 54.79 53.82 1rxm n ASP 157 Cb 0.56 0.00 1.03 0.00 -1.14 0.00 0.00 41.12 41.57 1rxm n ASP 157 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1rxm h LYS 158 N 0.00 0.00 -0.20 0.11 1.79 -1.83 -2.00 116.57 114.44 1rxm h LYS 158 Ca 0.00 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.35 1rxm h LYS 158 Cb 0.00 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1rxm h LYS 158 CO 0.00 0.01 -0.37 0.93 -1.08 0.00 0.00 179.45 178.94 1rxm h GLU 159 N 0.00 0.45 0.00 3.15 4.39 -1.95 -3.47 114.58 117.14 1rxm h GLU 159 Ca -0.00 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1rxm h GLU 159 Cb 0.07 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1rxm h GLU 159 CO 0.00 0.75 0.00 0.41 -1.16 0.00 0.00 179.01 179.02 1rxm n GLY 160 N -0.15 0.67 3.67 -3.84 0.00 -0.75 -4.51 105.19 100.28 1rxm n GLY 160 Ca -0.01 -1.72 -0.34 0.00 0.00 0.00 0.00 46.02 43.95 1rxm n GLY 160 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1rxm s PHE 161 N -3.01 3.09 -0.03 1.61 5.36 -0.01 -2.65 117.98 122.34 1rxm s PHE 161 Ca 0.00 0.11 -0.04 0.00 -0.96 0.00 0.00 56.93 56.04 1rxm s PHE 161 Cb 0.00 -1.72 0.01 0.00 -0.34 0.00 0.00 43.02 40.97 1rxm s PHE 161 CO 0.00 0.45 0.11 1.03 -1.46 0.00 0.00 175.22 175.34 1rxm s ARG 162 N -1.20 0.18 -0.10 10.12 0.52 0.42 -1.89 118.95 127.00 1rxm s ARG 162 Ca 0.16 0.06 0.04 0.00 -0.52 0.00 0.00 55.73 55.47 1rxm s ARG 162 Cb -0.11 0.08 0.00 0.00 0.52 0.00 0.00 34.95 35.44 1rxm s ARG 162 CO 0.06 -0.03 -0.22 0.42 0.02 0.00 0.00 175.30 175.55 1rxm s ILE 163 N -0.17 1.95 0.03 1.52 1.01 -0.81 -0.23 121.20 124.51 1rxm s ILE 163 Ca -0.02 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 59.69 1rxm s ILE 163 Cb -0.02 -1.70 -0.02 0.00 0.01 0.00 0.00 42.46 40.74 1rxm s ILE 163 CO 0.00 0.53 -0.05 -1.83 0.00 0.00 0.00 174.94 173.59 1rxm s GLU 164 N 0.46 0.40 0.03 2.79 -1.05 -0.69 0.23 118.70 120.87 1rxm s GLU 164 Ca -0.17 -0.59 0.01 0.00 -0.15 0.00 0.00 54.97 54.08 1rxm s GLU 164 Cb -0.17 -0.14 -0.02 0.00 -0.44 0.00 0.00 34.13 33.36 1rxm s GLU 164 CO 0.07 0.02 -0.06 0.00 0.95 0.00 0.00 175.26 176.24 1rxm s ALA 165 N -1.17 0.40 -0.05 -0.84 0.00 -0.57 -0.77 121.76 118.77 1rxm s ALA 165 Ca -0.10 -0.56 0.02 0.00 0.00 0.00 0.00 51.96 51.32 1rxm s ALA 165 Cb -0.08 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.08 1rxm s ALA 165 CO -0.00 -0.02 -0.11 0.15 0.00 0.00 0.00 175.76 175.77 1rxm s LYS 166 N -1.15 1.45 0.36 0.00 1.02 -1.26 -1.90 119.74 118.27 1rxm s LYS 166 Ca -0.08 -0.37 0.04 0.00 0.02 0.00 0.00 55.97 55.57 1rxm s LYS 166 Cb -0.08 -1.25 0.04 0.00 -0.52 0.00 0.00 37.83 36.02 1rxm s LYS 166 CO -0.00 0.05 0.31 0.41 -0.92 0.00 0.00 175.35 175.20 1rxm n GLY 167 N 3.66 2.71 0.27 -3.33 0.00 0.13 -4.59 105.19 104.05 1rxm n GLY 167 Ca -0.22 -2.25 0.13 0.00 0.00 0.00 0.00 46.02 43.69 1rxm n GLY 167 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rxm n ASP 168 N -1.99 1.05 0.00 1.61 8.00 -1.26 -4.16 116.55 119.79 1rxm n ASP 168 Ca 0.00 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.55 1rxm n ASP 168 Cb 0.41 0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 1rxm n ASP 168 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1rxm n VAL 169 N -0.55 0.00 -3.94 2.53 0.31 -1.26 -5.12 118.33 110.30 1rxm n VAL 169 Ca 0.13 -0.04 -0.11 0.00 -0.01 0.00 0.00 64.34 64.32 1rxm n VAL 169 Cb 0.34 0.36 -0.01 0.00 -0.91 0.00 0.00 33.84 33.62 1rxm n VAL 169 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1rxm s ASP 170 N -0.84 0.31 0.24 4.52 3.84 -1.26 -5.18 116.67 118.30 1rxm s ASP 170 Ca 0.00 -1.20 -0.16 0.00 -0.00 0.00 0.00 52.55 51.19 1rxm s ASP 170 Cb 0.00 0.74 0.01 0.00 -1.38 0.00 0.00 42.92 42.29 1rxm s ASP 170 CO 0.00 -1.44 0.55 -0.94 -0.00 0.00 0.00 175.17 173.34 1rxm s SER 171 N -3.11 -0.18 -0.01 2.11 1.04 -1.26 0.19 113.70 112.47 1rxm s SER 171 Ca 0.22 -0.72 -0.04 0.00 0.48 0.00 0.00 55.95 55.89 1rxm s SER 171 Cb -0.03 0.62 -0.00 0.00 0.10 0.00 0.00 66.02 66.71 1rxm s SER 171 CO 0.14 -1.16 0.08 -0.51 0.98 0.00 0.00 173.24 172.77 1rxm s ILE 172 N -3.95 0.06 -0.03 -1.02 2.07 -0.80 -5.00 121.20 112.53 1rxm s ILE 172 Ca 0.16 -0.49 -0.01 0.00 -1.41 0.00 0.00 60.65 58.90 1rxm s ILE 172 Cb -0.02 -0.28 0.03 0.00 0.13 0.00 0.00 42.46 42.32 1rxm s ILE 172 CO 0.05 -0.27 0.06 -0.69 -1.91 0.00 0.00 174.94 172.18 1rxm s VAL 173 N -0.86 -0.07 -0.07 4.00 1.01 -1.26 -1.51 120.40 121.64 1rxm s VAL 173 Ca -0.10 0.24 -0.03 0.00 0.00 0.00 0.00 61.98 62.09 1rxm s VAL 173 Cb -0.06 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.16 1rxm s VAL 173 CO 0.00 0.10 0.08 0.12 0.00 0.00 0.00 175.10 175.40 1rxm s PHE 174 N 1.24 3.36 -0.12 5.22 5.36 0.13 -4.97 117.98 128.21 1rxm s PHE 174 Ca -0.07 0.32 -0.15 0.00 -0.96 0.00 0.00 56.93 56.06 1rxm s PHE 174 Cb -0.13 -1.83 0.04 0.00 -0.34 0.00 0.00 43.02 40.76 1rxm s PHE 174 CO -0.04 0.59 0.40 -1.58 -1.46 0.00 0.00 175.22 173.13 1rxm s HIS 175 N -1.03 -0.40 -0.12 10.12 5.65 -1.26 -1.92 115.29 126.34 1rxm s HIS 175 Ca 0.17 0.91 -0.11 0.00 0.25 0.00 0.00 55.06 56.28 1rxm s HIS 175 Cb -0.12 0.15 0.03 0.00 -1.18 0.00 0.00 32.58 31.47 1rxm s HIS 175 CO 0.06 -0.27 0.31 -1.64 -0.65 0.00 0.00 174.74 172.55 1rxm s MET 176 N -0.20 0.36 0.60 2.88 -1.94 -0.79 -5.02 119.30 115.19 1rxm s MET 176 Ca -0.04 0.44 0.08 0.00 -1.71 0.00 0.00 55.69 54.46 1rxm s MET 176 Cb -0.03 0.18 0.10 0.00 2.01 0.00 0.00 34.83 37.08 1rxm s MET 176 CO 0.02 -0.04 0.83 0.95 -0.01 0.00 0.00 175.02 176.76 1rxm s THR 177 N 0.17 2.11 0.40 2.05 -4.23 -1.26 -0.83 115.64 114.05 1rxm s THR 177 Ca -0.00 -0.95 0.06 0.00 -1.18 0.00 0.00 61.69 59.62 1rxm s THR 177 Cb -0.02 -2.16 0.26 0.00 1.34 0.00 0.00 72.50 71.92 1rxm s THR 177 CO 0.00 0.00 2.04 -0.08 -0.54 0.00 0.00 174.62 176.05 1rxm h GLU 178 N 0.07 0.59 -0.87 3.99 4.81 -1.91 -1.52 114.58 119.75 1rxm h GLU 178 Ca -0.30 -0.04 0.10 0.00 -0.13 0.00 0.00 59.36 58.99 1rxm h GLU 178 Cb 1.29 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 30.47 1rxm h GLU 178 CO 0.40 0.40 0.56 1.15 -0.73 0.00 0.00 179.01 180.79 1rxm h THR 179 N 0.60 0.96 0.02 0.32 2.02 -1.97 -2.84 112.91 112.01 1rxm h THR 179 Ca 0.16 -0.29 -0.29 0.00 0.77 0.00 0.00 66.41 66.76 1rxm h THR 179 Cb -0.05 0.04 -0.04 0.00 -1.74 0.00 0.00 68.15 66.37 1rxm h THR 179 CO -0.03 0.15 -1.61 -0.33 0.37 0.00 0.00 175.52 174.07 1rxm h GLU 180 N 0.84 0.04 -7.31 6.66 5.08 -1.69 -3.47 114.58 114.74 1rxm h GLU 180 Ca 0.40 -0.07 -0.51 0.00 -1.00 0.00 0.00 59.36 58.19 1rxm h GLU 180 Cb 0.42 0.02 0.08 0.00 0.50 0.00 0.00 28.75 29.78 1rxm h GLU 180 CO -0.17 0.67 0.37 -0.51 -1.00 0.00 0.00 179.01 178.37 1rxm s LEU 181 N -6.32 3.23 0.09 1.33 1.43 -0.66 -4.97 118.68 112.81 1rxm s LEU 181 Ca -0.05 1.64 -0.08 0.00 -1.03 0.00 0.00 54.13 54.61 1rxm s LEU 181 Cb 0.08 -4.50 -0.19 0.00 0.03 0.00 0.00 46.19 41.61 1rxm s LEU 181 CO 0.82 -1.33 1.21 0.40 0.23 0.00 0.00 176.35 177.68 1rxm h ILE 182 N -0.42 1.38 -2.99 -0.59 2.04 -1.06 -3.46 117.51 112.41 1rxm h ILE 182 Ca -0.44 -2.55 -0.13 0.00 1.00 0.00 0.00 64.86 62.74 1rxm h ILE 182 Cb 1.21 2.59 -0.23 0.00 -0.74 0.00 0.00 36.82 39.65 1rxm h ILE 182 CO 0.57 0.76 -0.31 -0.70 0.00 0.00 0.00 178.15 178.47 1rxm s GLU 183 N -3.08 0.50 -0.30 2.37 2.12 -1.11 -5.00 118.70 114.20 1rxm s GLU 183 Ca -0.07 0.18 -0.11 0.00 0.36 0.00 0.00 54.97 55.34 1rxm s GLU 183 Cb 0.07 0.23 0.13 0.00 0.26 0.00 0.00 34.13 34.82 1rxm s GLU 183 CO 0.89 -0.10 0.67 0.12 -0.54 0.00 0.00 175.26 176.30 1rxm s PHE 184 N -0.45 -1.30 -2.57 5.30 5.36 -1.26 -2.03 117.98 121.04 1rxm s PHE 184 Ca -0.06 2.27 0.25 0.00 -0.96 0.00 0.00 56.93 58.43 1rxm s PHE 184 Cb -0.04 0.78 0.70 0.00 -0.34 0.00 0.00 43.02 44.12 1rxm s PHE 184 CO 0.02 -0.64 1.54 0.27 -1.46 0.00 0.00 175.22 174.95 1rxm n ASN 185 N 5.34 2.14 -2.14 6.13 6.94 -1.16 -4.95 115.26 127.56 1rxm n ASN 185 Ca -0.12 -1.73 -0.16 0.00 -0.02 0.00 0.00 54.58 52.55 1rxm n ASN 185 Cb 0.50 -0.06 -0.03 0.00 -2.36 0.00 0.00 39.78 37.84 1rxm n ASN 185 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1rxm n GLY 186 N 1.25 0.10 3.75 4.83 0.00 -1.26 -4.94 105.19 108.91 1rxm n GLY 186 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1rxm n GLY 186 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rxm s GLY 187 N -2.13 2.10 -0.22 -0.02 0.00 -1.26 -3.49 107.32 102.30 1rxm s GLY 187 Ca 0.00 0.60 -0.15 0.00 0.00 0.00 0.00 44.72 45.17 1rxm s GLY 187 CO 0.00 0.97 0.37 -0.54 0.00 0.00 0.00 173.10 173.90 1rxm s GLU 188 N -4.20 4.12 0.08 2.90 2.02 -1.24 -2.71 118.70 119.68 1rxm s GLU 188 Ca 0.68 0.12 -0.25 0.00 0.02 0.00 0.00 54.97 55.54 1rxm s GLU 188 Cb -0.22 -3.57 0.07 0.00 0.10 0.00 0.00 34.13 30.50 1rxm s GLU 188 CO 0.46 -0.09 0.61 0.00 0.02 0.00 0.00 175.26 176.25 1rxm s ALA 189 N 1.49 -1.59 -0.24 5.21 0.00 0.56 -4.57 121.76 122.61 1rxm s ALA 189 Ca 0.17 0.73 -0.12 0.00 0.00 0.00 0.00 51.96 52.74 1rxm s ALA 189 Cb -0.15 0.55 0.08 0.00 0.00 0.00 0.00 23.12 23.60 1rxm s ALA 189 CO 0.08 -0.61 0.57 0.50 0.00 0.00 0.00 175.76 176.30 1rxm s ARG 190 N -2.81 0.55 0.06 0.00 3.52 -1.03 -0.86 118.95 118.38 1rxm s ARG 190 Ca -0.03 1.10 -0.14 0.00 -0.13 0.00 0.00 55.73 56.52 1rxm s ARG 190 Cb -0.01 0.19 0.02 0.00 -1.56 0.00 0.00 34.95 33.60 1rxm s ARG 190 CO -0.05 -0.17 0.33 -1.12 -0.81 0.00 0.00 175.30 173.48 1rxm s SER 191 N 1.81 -0.15 -0.01 -2.12 0.01 -0.95 -1.47 113.70 110.82 1rxm s SER 191 Ca -0.09 -0.20 0.05 0.00 1.31 0.00 0.00 55.95 57.02 1rxm s SER 191 Cb -0.08 0.38 -0.03 0.00 0.21 0.00 0.00 66.02 66.51 1rxm s SER 191 CO -0.17 -0.66 -0.15 -0.32 0.41 0.00 0.00 173.24 172.35 1rxm s MET 192 N -2.79 2.34 0.06 12.44 1.75 -1.26 -0.88 119.30 130.95 1rxm s MET 192 Ca -0.03 -0.82 -0.01 0.00 -1.25 0.00 0.00 55.69 53.58 1rxm s MET 192 Cb -0.00 -2.32 -0.04 0.00 2.84 0.00 0.00 34.83 35.31 1rxm s MET 192 CO -0.05 0.59 -0.02 -0.06 -0.65 0.00 0.00 175.02 174.83 1rxm s PHE 193 N -0.85 0.54 -0.10 4.11 0.40 0.47 -0.75 117.98 121.81 1rxm s PHE 193 Ca 0.14 -1.07 -0.29 0.00 -0.60 0.00 0.00 56.93 55.10 1rxm s PHE 193 Cb -0.11 -0.39 -0.01 0.00 0.51 0.00 0.00 43.02 43.02 1rxm s PHE 193 CO 0.03 -0.39 0.99 -1.54 0.70 0.00 0.00 175.22 175.02 1rxm s SER 194 N -2.93 7.25 0.45 1.36 1.04 -1.26 -1.00 113.70 118.61 1rxm s SER 194 Ca 0.08 1.53 0.12 0.00 0.48 0.00 0.00 55.95 58.16 1rxm s SER 194 Cb 0.08 -2.55 1.03 0.00 0.10 0.00 0.00 66.02 64.68 1rxm s SER 194 CO -0.09 -0.42 2.05 0.58 0.98 0.00 0.00 173.24 176.34 1rxm h VAL 195 N 5.06 1.00 -0.36 5.02 2.07 -0.85 -2.82 116.25 125.36 1rxm h VAL 195 Ca -0.32 -0.12 -0.07 0.00 0.82 0.00 0.00 66.70 67.01 1rxm h VAL 195 Cb 1.16 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1rxm h VAL 195 CO 0.84 0.06 -0.05 0.44 0.02 0.00 0.00 177.57 178.89 1rxm h ASP 196 N 0.35 0.57 -0.30 0.57 3.32 -1.92 -1.94 116.42 117.08 1rxm h ASP 196 Ca 0.16 -0.13 -0.16 0.00 0.02 0.00 0.00 57.03 56.92 1rxm h ASP 196 Cb 0.19 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 1rxm h ASP 196 CO -0.04 0.67 -0.43 1.88 -1.72 0.00 0.00 179.24 179.61 1rxm h TYR 197 N 0.56 1.00 -0.92 4.55 -1.99 -1.88 -2.69 116.97 115.59 1rxm h TYR 197 Ca 0.11 -0.33 -0.01 0.00 2.00 0.00 0.00 58.73 60.50 1rxm h TYR 197 Cb 0.43 -0.20 -0.04 0.00 2.00 0.00 0.00 36.73 38.92 1rxm h TYR 197 CO 0.02 1.14 0.54 -0.07 -0.00 0.00 0.00 178.16 179.78 1rxm h LEU 198 N 0.58 1.12 -0.21 3.88 3.38 -1.49 0.14 115.31 122.71 1rxm h LEU 198 Ca 0.03 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1rxm h LEU 198 Cb 1.03 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1rxm h LEU 198 CO 0.10 0.88 0.02 0.11 0.09 0.00 0.00 178.44 179.63 1rxm h LYS 199 N 1.28 0.37 -0.70 1.13 1.57 -1.35 -0.60 116.57 118.26 1rxm h LYS 199 Ca 0.33 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1rxm h LYS 199 Cb -0.03 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 1rxm h LYS 199 CO -0.06 0.54 0.45 1.49 -0.57 0.00 0.00 179.45 181.30 1rxm h GLU 200 N 0.14 0.93 -0.23 3.15 4.57 -1.18 -1.82 114.58 120.15 1rxm h GLU 200 Ca 0.06 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1rxm h GLU 200 Cb 0.36 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1rxm h GLU 200 CO 0.01 0.63 0.03 0.74 -1.18 0.00 0.00 179.01 179.24 1rxm h PHE 201 N 0.96 0.41 0.00 0.92 0.05 -0.68 -3.01 116.94 115.59 1rxm h PHE 201 Ca 0.26 -0.06 0.00 0.00 3.82 0.00 0.00 57.97 61.99 1rxm h PHE 201 Cb -0.09 -0.11 0.00 0.00 2.00 0.00 0.00 35.95 37.75 1rxm h PHE 201 CO 0.00 0.52 0.00 0.00 -0.18 0.00 0.00 178.31 178.65 1rxm n LYS 203 N -1.90 0.11 -0.22 0.00 5.02 -0.97 -1.95 118.16 118.24 1rxm n LYS 203 Ca 0.01 0.49 0.07 0.00 -2.02 0.00 0.00 58.31 56.87 1rxm n LYS 203 Cb 0.10 -1.78 0.19 0.00 -0.02 0.00 0.00 35.03 33.52 1rxm n LYS 203 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1rxm n VAL 204 N -1.99 0.92 -4.21 -0.18 3.14 -1.12 -5.00 118.33 109.90 1rxm n VAL 204 Ca 0.01 -0.96 -0.14 0.00 -2.96 0.00 0.00 64.34 60.29 1rxm n VAL 204 Cb 0.10 0.56 -0.10 0.00 -1.06 0.00 0.00 33.84 33.34 1rxm n VAL 204 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1rxm s ALA 205 N -1.02 1.27 0.28 1.55 0.00 -0.82 -4.94 121.76 118.08 1rxm s ALA 205 Ca 0.30 -1.37 -0.06 0.00 0.00 0.00 0.00 51.96 50.83 1rxm s ALA 205 Cb 0.16 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.36 1rxm s ALA 205 CO 0.21 -0.10 0.47 0.41 0.00 0.00 0.00 175.76 176.75 1rxm n GLY 206 N 0.08 1.86 3.68 0.00 0.00 -1.26 -4.89 105.19 104.65 1rxm n GLY 206 Ca -0.12 -1.39 -0.44 0.00 0.00 0.00 0.00 46.02 44.06 1rxm n GLY 206 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rxm n SER 207 N -1.59 2.88 0.00 1.61 7.64 -1.26 -1.99 113.62 120.92 1rxm n SER 207 Ca -0.03 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.00 1rxm n SER 207 Cb 0.44 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.19 1rxm n SER 207 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rxm n GLY 208 N 1.99 3.28 3.81 0.23 0.00 -1.26 -4.92 105.19 108.33 1rxm n GLY 208 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 1rxm n GLY 208 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rxm s ASP 209 N -0.66 7.10 0.09 1.61 1.01 -0.84 -4.97 116.67 120.01 1rxm s ASP 209 Ca 0.00 1.41 -0.20 0.00 0.71 0.00 0.00 52.55 54.47 1rxm s ASP 209 Cb 0.00 -2.42 -0.07 0.00 1.01 0.00 0.00 42.92 41.44 1rxm s ASP 209 CO 0.00 0.10 0.61 -0.76 0.21 0.00 0.00 175.17 175.33 1rxm s LEU 210 N -1.72 4.53 -0.07 1.23 1.43 -1.13 -0.34 118.68 122.61 1rxm s LEU 210 Ca 0.39 1.33 0.02 0.00 -1.03 0.00 0.00 54.13 54.84 1rxm s LEU 210 Cb -0.18 -2.99 0.01 0.00 0.03 0.00 0.00 46.19 43.06 1rxm s LEU 210 CO 0.22 0.25 -0.14 -0.22 0.23 0.00 0.00 176.35 176.69 1rxm s LEU 211 N -1.17 1.69 -0.17 1.79 2.96 0.17 -0.86 118.68 123.09 1rxm s LEU 211 Ca 0.31 -0.33 -0.01 0.00 -0.22 0.00 0.00 54.13 53.88 1rxm s LEU 211 Cb -0.20 -0.91 0.00 0.00 0.50 0.00 0.00 46.19 45.59 1rxm s LEU 211 CO 0.20 0.04 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.25 1rxm s THR 212 N 0.66 2.71 -0.17 3.68 2.01 -0.25 -0.75 115.64 123.54 1rxm s THR 212 Ca -0.14 -0.74 -0.05 0.00 0.31 0.00 0.00 61.69 61.06 1rxm s THR 212 Cb -0.16 -2.17 -0.03 0.00 0.01 0.00 0.00 72.50 70.15 1rxm s THR 212 CO 0.04 0.50 0.01 -0.63 -0.69 0.00 0.00 174.62 173.85 1rxm s ILE 213 N 1.03 4.27 -0.29 1.82 1.01 0.62 -0.71 121.20 128.95 1rxm s ILE 213 Ca -0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 60.65 60.39 1rxm s ILE 213 Cb -0.15 -2.90 0.04 0.00 0.01 0.00 0.00 42.46 39.47 1rxm s ILE 213 CO -0.03 0.48 0.01 -1.00 0.00 0.00 0.00 174.94 174.39 1rxm s HIS 214 N 0.41 3.21 0.04 3.97 3.76 -0.29 -0.10 115.29 126.29 1rxm s HIS 214 Ca -0.01 -1.68 0.08 0.00 -0.15 0.00 0.00 55.06 53.30 1rxm s HIS 214 Cb -0.13 -2.13 -0.03 0.00 1.11 0.00 0.00 32.58 31.40 1rxm s HIS 214 CO 0.02 -0.76 -0.24 -1.17 -0.85 0.00 0.00 174.74 171.74 1rxm s LEU 215 N 1.30 2.16 0.00 0.89 2.96 -0.75 -1.39 118.68 123.86 1rxm s LEU 215 Ca -0.03 -0.55 0.00 0.00 -0.22 0.00 0.00 54.13 53.33 1rxm s LEU 215 Cb -0.19 -1.14 0.00 0.00 0.50 0.00 0.00 46.19 45.37 1rxm s LEU 215 CO -0.01 0.21 0.00 0.61 -1.32 0.00 0.00 176.35 175.84 1rxm n GLY 216 N 1.84 5.02 3.34 7.98 0.00 -1.26 -2.02 105.19 120.09 1rxm n GLY 216 Ca -0.17 -1.70 -0.37 0.00 0.00 0.00 0.00 46.02 43.78 1rxm n GLY 216 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rxm s THR 217 N -1.07 3.92 -1.44 2.61 2.01 -1.25 -2.45 115.64 117.96 1rxm s THR 217 Ca 0.00 -0.69 -0.09 0.00 0.31 0.00 0.00 61.69 61.22 1rxm s THR 217 Cb 0.00 -3.01 0.03 0.00 0.01 0.00 0.00 72.50 69.53 1rxm s THR 217 CO 0.00 0.10 0.98 0.59 -0.69 0.00 0.00 174.62 175.59 1rxm n ASN 218 N 4.86 -5.86 -4.34 3.53 3.02 -0.54 -4.94 115.26 110.98 1rxm n ASN 218 Ca -0.15 -0.53 -0.18 0.00 -0.03 0.00 0.00 54.58 53.70 1rxm n ASN 218 Cb 0.48 -4.65 -0.10 0.00 -0.61 0.00 0.00 39.78 34.89 1rxm n ASN 218 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1rxm s TYR 219 N -3.26 1.64 0.69 3.10 1.51 -1.26 -4.93 117.35 114.84 1rxm s TYR 219 Ca 0.53 -0.75 -0.16 0.00 -1.01 0.00 0.00 57.07 55.68 1rxm s TYR 219 Cb -0.25 -0.88 0.02 0.00 -0.11 0.00 0.00 41.96 40.74 1rxm s TYR 219 CO 0.66 0.16 1.24 -2.14 -1.11 0.00 0.00 175.55 174.36 1rxm s PRO 220 N -3.75 2.34 -0.05 -1.71 0.02 -1.26 -4.44 135.00 126.15 1rxm s PRO 220 Ca 0.25 1.87 -0.02 0.00 0.02 0.00 0.00 61.00 63.12 1rxm s PRO 220 Cb 0.03 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.67 1rxm s PRO 220 CO 0.07 -1.71 0.07 0.54 -0.33 0.00 0.00 177.00 175.64 1rxm s VAL 221 N -1.75 4.73 -0.31 3.83 0.11 -0.31 -4.59 120.40 122.10 1rxm s VAL 221 Ca 0.77 -0.24 -0.10 0.00 -2.93 0.00 0.00 61.98 59.48 1rxm s VAL 221 Cb -0.32 -3.09 -0.01 0.00 -1.53 0.00 0.00 36.38 31.43 1rxm s VAL 221 CO 0.42 0.48 0.16 -0.13 -3.33 0.00 0.00 175.10 172.71 1rxm s ARG 222 N -1.32 3.36 -0.53 1.54 0.52 -0.49 -1.76 118.95 120.27 1rxm s ARG 222 Ca 0.18 -0.71 -0.04 0.00 -0.52 0.00 0.00 55.73 54.64 1rxm s ARG 222 Cb -0.12 -3.59 0.14 0.00 0.52 0.00 0.00 34.95 31.90 1rxm s ARG 222 CO 0.08 -0.42 0.35 -0.51 0.02 0.00 0.00 175.30 174.83 1rxm s LEU 223 N 1.63 5.38 -0.59 2.53 1.43 0.11 -1.14 118.68 128.03 1rxm s LEU 223 Ca 0.05 -2.41 -0.21 0.00 -1.03 0.00 0.00 54.13 50.53 1rxm s LEU 223 Cb -0.17 -1.88 0.08 0.00 0.03 0.00 0.00 46.19 44.24 1rxm s LEU 223 CO 0.07 -0.49 0.79 -0.69 0.23 0.00 0.00 176.35 176.26 1rxm s VAL 224 N 0.60 4.63 -0.05 -1.59 1.01 0.11 -1.22 120.40 123.89 1rxm s VAL 224 Ca 0.12 -0.53 -0.17 0.00 0.00 0.00 0.00 61.98 61.40 1rxm s VAL 224 Cb -0.22 -4.51 -0.05 0.00 0.00 0.00 0.00 36.38 31.60 1rxm s VAL 224 CO -0.04 -1.15 0.47 -0.36 0.00 0.00 0.00 175.10 174.02 1rxm s PHE 225 N 3.24 3.64 -0.31 5.22 0.40 0.10 -1.09 117.98 129.19 1rxm s PHE 225 Ca 0.18 0.98 -0.02 0.00 -0.60 0.00 0.00 56.93 57.47 1rxm s PHE 225 Cb -0.19 -2.45 0.05 0.00 0.51 0.00 0.00 43.02 40.94 1rxm s PHE 225 CO 0.10 0.40 0.01 -1.21 0.70 0.00 0.00 175.22 175.23 1rxm s GLU 226 N -0.25 2.43 0.49 0.44 2.02 -0.04 0.02 118.70 123.81 1rxm s GLU 226 Ca 0.26 -1.28 0.03 0.00 0.02 0.00 0.00 54.97 54.00 1rxm s GLU 226 Cb -0.16 -3.22 -0.03 0.00 0.10 0.00 0.00 34.13 30.82 1rxm s GLU 226 CO 0.13 -0.64 0.03 -0.51 0.02 0.00 0.00 175.26 174.28 1rxm s LEU 227 N 1.26 2.45 -1.22 1.80 1.43 0.01 -2.83 118.68 121.57 1rxm s LEU 227 Ca -0.04 -1.57 -0.09 0.00 -1.03 0.00 0.00 54.13 51.40 1rxm s LEU 227 Cb -0.20 -0.80 -0.01 0.00 0.03 0.00 0.00 46.19 45.21 1rxm s LEU 227 CO -0.01 -0.77 0.72 0.52 0.23 0.00 0.00 176.35 177.04 1rxm n VAL 228 N -1.23 -5.38 -2.67 -1.59 0.31 -1.26 -1.31 118.33 105.20 1rxm n VAL 228 Ca -0.15 -0.79 -0.17 0.00 -0.01 0.00 0.00 64.34 63.22 1rxm n VAL 228 Cb 0.67 -4.16 0.02 0.00 -0.91 0.00 0.00 33.84 29.45 1rxm n VAL 228 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rxm n GLY 229 N -1.64 -0.26 2.16 2.92 0.00 -1.26 -2.28 105.19 104.83 1rxm n GLY 229 Ca -0.19 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1rxm n GLY 229 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rxm n GLY 230 N -1.24 0.44 0.14 -0.02 0.00 -0.89 -4.90 105.19 98.71 1rxm n GLY 230 Ca -0.12 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.94 1rxm n GLY 230 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1rxm h ARG 231 N 0.89 0.00 -5.89 1.61 3.08 -0.89 -3.47 114.38 109.71 1rxm h ARG 231 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 1rxm h ARG 231 Cb 0.14 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 29.99 1rxm h ARG 231 CO 0.00 0.30 -0.80 0.00 -1.07 0.00 0.00 179.97 178.40 1rxm s ALA 232 N -3.04 1.77 -0.19 0.04 0.00 -0.43 -4.32 121.76 115.60 1rxm s ALA 232 Ca 0.02 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.66 1rxm s ALA 232 Cb 0.08 -0.18 0.04 0.00 0.00 0.00 0.00 23.12 23.06 1rxm s ALA 232 CO 0.76 0.26 -0.08 0.21 0.00 0.00 0.00 175.76 176.91 1rxm s LYS 233 N -2.34 1.74 -0.22 0.00 2.20 -0.60 -0.81 119.74 119.71 1rxm s LYS 233 Ca 0.09 -0.71 0.00 0.00 -0.36 0.00 0.00 55.97 54.99 1rxm s LYS 233 Cb -0.08 -2.26 0.03 0.00 -1.51 0.00 0.00 37.83 34.02 1rxm s LYS 233 CO 0.05 -0.44 -0.13 0.08 -0.36 0.00 0.00 175.35 174.55 1rxm s VAL 234 N 1.50 2.42 -0.14 4.02 1.01 0.10 -1.51 120.40 127.80 1rxm s VAL 234 Ca -0.01 -1.09 -0.02 0.00 0.00 0.00 0.00 61.98 60.86 1rxm s VAL 234 Cb -0.16 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 1rxm s VAL 234 CO -0.08 0.30 -0.07 -0.70 0.00 0.00 0.00 175.10 174.55 1rxm s GLU 235 N 1.27 3.54 -0.09 2.72 2.12 0.55 0.02 118.70 128.82 1rxm s GLU 235 Ca 0.01 -0.57 0.02 0.00 0.36 0.00 0.00 54.97 54.79 1rxm s GLU 235 Cb -0.16 -2.81 -0.01 0.00 0.26 0.00 0.00 34.13 31.41 1rxm s GLU 235 CO -0.08 0.26 -0.17 0.71 -0.54 0.00 0.00 175.26 175.43 1rxm s TYR 236 N 0.29 2.68 -0.17 5.30 1.51 -0.36 0.58 117.35 127.17 1rxm s TYR 236 Ca -0.06 -0.62 0.01 0.00 -1.01 0.00 0.00 57.07 55.39 1rxm s TYR 236 Cb -0.15 -1.73 0.02 0.00 -0.11 0.00 0.00 41.96 39.99 1rxm s TYR 236 CO 0.04 -0.16 -0.19 0.42 -1.11 0.00 0.00 175.55 174.55 1rxm s ILE 237 N 0.02 1.96 -0.09 2.71 1.01 0.71 0.06 121.20 127.59 1rxm s ILE 237 Ca -0.06 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.73 1rxm s ILE 237 Cb -0.15 -1.79 -0.02 0.00 0.01 0.00 0.00 42.46 40.52 1rxm s ILE 237 CO 0.05 0.52 -0.17 -0.22 0.00 0.00 0.00 174.94 175.12 1rxm s LEU 238 N 1.33 2.52 0.53 2.97 2.96 -0.72 -0.84 118.68 127.42 1rxm s LEU 238 Ca 0.05 -0.36 -0.20 0.00 -0.22 0.00 0.00 54.13 53.41 1rxm s LEU 238 Cb -0.13 -1.52 -0.07 0.00 0.50 0.00 0.00 46.19 44.97 1rxm s LEU 238 CO -0.13 0.23 1.10 0.00 -1.32 0.00 0.00 176.35 176.24 1rxm s ALA 239 N -0.04 2.74 0.55 5.97 0.00 -0.12 -1.16 121.76 129.69 1rxm s ALA 239 Ca -0.04 0.76 -0.05 0.00 0.00 0.00 0.00 51.96 52.63 1rxm s ALA 239 Cb -0.14 -3.33 -0.00 0.00 0.00 0.00 0.00 23.12 19.65 1rxm s ALA 239 CO 0.04 -0.65 0.84 -1.25 0.00 0.00 0.00 175.76 174.75 1rxm s PRO 240 N -3.28 3.04 0.00 0.00 0.04 -1.26 -4.79 135.00 128.75 1rxm s PRO 240 Ca 0.71 -0.07 -0.12 0.00 0.04 0.00 0.00 61.00 61.56 1rxm s PRO 240 Cb -0.22 -2.34 -0.05 0.00 0.04 0.00 0.00 34.50 31.93 1rxm s PRO 240 CO 0.25 -0.55 0.36 1.03 0.04 0.00 0.00 177.00 178.13 1rxm s ARG 241 N -4.87 3.79 -0.11 4.56 0.52 0.07 -5.00 118.95 117.91 1rxm s ARG 241 Ca 0.52 0.25 0.02 0.00 -0.52 0.00 0.00 55.73 56.00 1rxm s ARG 241 Cb -0.10 -3.15 -0.01 0.00 0.52 0.00 0.00 34.95 32.21 1rxm s ARG 241 CO 0.44 0.67 -0.19 0.42 0.02 0.00 0.00 175.30 176.65 1rxm s ILE 242 N -1.16 2.47 0.21 1.52 -1.09 -1.26 -4.36 121.20 117.52 1rxm s ILE 242 Ca 0.25 -0.87 -0.19 0.00 -2.23 0.00 0.00 60.65 57.61 1rxm s ILE 242 Cb -0.15 -1.99 -0.08 0.00 -1.58 0.00 0.00 42.46 38.66 1rxm s ILE 242 CO 0.13 0.54 0.69 -1.61 -1.23 0.00 0.00 174.94 173.47 1rxm s GLU 243 N 0.37 4.19 0.00 2.79 8.01 -1.26 -5.04 118.70 127.77 1rxm s GLU 243 Ca -0.15 0.79 0.00 0.00 0.01 0.00 0.00 54.97 55.62 1rxm s GLU 243 Cb -0.17 -2.88 0.00 0.00 -4.31 0.00 0.00 34.13 26.77 1rxm s GLU 243 CO 0.07 0.41 0.00 -1.13 0.01 0.00 0.00 175.26 174.62 1rxm n SER 244 N 0.72 0.00 0.00 -0.19 3.41 -1.26 -5.27 113.62 111.03 1rxm n SER 244 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1rxm n SER 244 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1rxm n SER 244 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26