#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xrm s ILE 6 N -2.87 5.05 0.27 0.00 2.07 0.13 -4.91 121.20 120.95 1xrm s ILE 6 Ca 0.56 -0.18 0.01 0.00 -1.41 0.00 0.00 60.65 59.64 1xrm s ILE 6 Cb -0.10 -4.03 -0.03 0.00 0.13 0.00 0.00 42.46 38.42 1xrm s ILE 6 CO 0.42 -0.39 0.45 -1.61 -1.91 0.00 0.00 174.94 171.89 1xrm s GLU 7 N 2.24 3.48 -0.04 3.50 2.02 -1.26 -1.39 118.70 127.26 1xrm s GLU 7 Ca 0.14 -0.45 -0.29 0.00 0.02 0.00 0.00 54.97 54.39 1xrm s GLU 7 Cb -0.16 -2.78 0.10 0.00 0.10 0.00 0.00 34.13 31.39 1xrm s GLU 7 CO 0.14 0.30 0.84 1.21 0.02 0.00 0.00 175.26 177.77 1xrm s ASN 8 N -3.75 -0.45 -0.63 -0.19 2.47 -0.88 -5.00 114.94 106.50 1xrm s ASN 8 Ca 0.38 0.26 0.06 0.00 0.42 0.00 0.00 52.86 53.98 1xrm s ASN 8 Cb -0.10 0.42 0.24 0.00 -1.45 0.00 0.00 41.25 40.36 1xrm s ASN 8 CO 0.32 -0.58 0.69 0.00 -3.72 0.00 0.00 177.10 173.81 1xrm n TYR 9 N 0.26 3.27 -3.65 0.43 4.19 -1.26 -2.43 117.16 117.97 1xrm n TYR 9 Ca -0.12 -4.13 -0.27 0.00 3.31 0.00 0.00 57.90 56.68 1xrm n TYR 9 Cb 0.60 -0.54 -0.03 0.00 0.49 0.00 0.00 39.34 39.86 1xrm n TYR 9 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1xrm s ALA 10 N -2.23 3.81 0.03 2.98 0.00 -1.18 -4.84 121.76 120.32 1xrm s ALA 10 Ca 0.38 -0.80 -0.30 0.00 0.00 0.00 0.00 51.96 51.23 1xrm s ALA 10 Cb 0.12 -2.03 -0.05 0.00 0.00 0.00 0.00 23.12 21.16 1xrm s ALA 10 CO -0.04 0.41 1.26 0.21 0.00 0.00 0.00 175.76 177.60 1xrm s LYS 11 N -3.36 4.37 -0.06 0.00 2.20 -1.26 -1.69 119.74 119.94 1xrm s LYS 11 Ca 0.39 1.82 -0.01 0.00 -0.36 0.00 0.00 55.97 57.80 1xrm s LYS 11 Cb -0.11 -3.43 0.03 0.00 -1.51 0.00 0.00 37.83 32.81 1xrm s LYS 11 CO 0.29 -0.39 0.02 0.08 -0.36 0.00 0.00 175.35 174.99 1xrm s VAL 12 N 1.62 0.23 -1.51 4.02 1.01 0.25 -4.83 120.40 121.20 1xrm s VAL 12 Ca 0.60 0.20 -0.03 0.00 0.00 0.00 0.00 61.98 62.75 1xrm s VAL 12 Cb -0.29 -0.41 0.01 0.00 0.00 0.00 0.00 36.38 35.68 1xrm s VAL 12 CO 0.27 0.23 0.25 -3.20 0.00 0.00 0.00 175.10 172.65 1xrm n ASN 13 N 5.09 -5.34 0.00 3.32 5.15 -1.26 -2.72 115.26 119.51 1xrm n ASN 13 Ca -0.08 -0.11 0.00 0.00 -0.60 0.00 0.00 54.58 53.80 1xrm n ASN 13 Cb 0.50 -4.41 0.00 0.00 -0.53 0.00 0.00 39.78 35.34 1xrm n ASN 13 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xrm n GLY 14 N -1.16 3.12 3.72 8.20 0.00 -1.26 -5.04 105.19 112.77 1xrm n GLY 14 Ca -0.16 -0.90 -0.27 0.00 0.00 0.00 0.00 46.02 44.69 1xrm n GLY 14 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xrm s ILE 15 N -0.23 4.06 -0.17 -0.61 -4.36 -1.10 -5.04 121.20 113.75 1xrm s ILE 15 Ca 0.00 -1.22 -0.29 0.00 -0.26 0.00 0.00 60.65 58.88 1xrm s ILE 15 Cb 0.00 -3.03 -0.02 0.00 1.25 0.00 0.00 42.46 40.66 1xrm s ILE 15 CO 0.00 -0.07 1.38 -0.31 0.24 0.00 0.00 174.94 176.18 1xrm s TYR 16 N -1.66 2.58 0.16 1.37 1.51 -1.26 -0.58 117.35 119.47 1xrm s TYR 16 Ca 0.28 0.78 0.06 0.00 -1.01 0.00 0.00 57.07 57.19 1xrm s TYR 16 Cb -0.10 -3.69 -0.04 0.00 -0.11 0.00 0.00 41.96 38.02 1xrm s TYR 16 CO 0.20 -2.24 0.04 0.42 -1.11 0.00 0.00 175.55 172.86 1xrm s ILE 17 N 3.91 3.98 -0.20 2.71 -1.09 -0.68 -1.35 121.20 128.48 1xrm s ILE 17 Ca 0.60 -1.27 -0.06 0.00 -2.23 0.00 0.00 60.65 57.69 1xrm s ILE 17 Cb -0.23 -3.00 -0.03 0.00 -1.58 0.00 0.00 42.46 37.61 1xrm s ILE 17 CO 0.20 -0.08 0.04 -0.47 -1.23 0.00 0.00 174.94 173.40 1xrm s TYR 18 N -1.69 3.13 0.06 3.97 5.04 -1.26 -3.07 117.35 123.53 1xrm s TYR 18 Ca 0.28 -0.20 0.03 0.00 -2.44 0.00 0.00 57.07 54.74 1xrm s TYR 18 Cb -0.10 -2.10 -0.03 0.00 0.35 0.00 0.00 41.96 40.09 1xrm s TYR 18 CO 0.20 -0.07 -0.08 1.52 -1.34 0.00 0.00 175.55 175.77 1xrm s TYR 19 N 0.78 0.81 -0.22 4.97 1.13 -1.02 -0.85 117.35 122.94 1xrm s TYR 19 Ca 0.02 -0.59 -0.02 0.00 -1.41 0.00 0.00 57.07 55.08 1xrm s TYR 19 Cb -0.14 -0.47 0.07 0.00 -1.10 0.00 0.00 41.96 40.32 1xrm s TYR 19 CO 0.02 -0.07 0.03 0.21 -2.51 0.00 0.00 175.55 173.23 1xrm s LYS 20 N -2.13 0.88 -0.28 -3.49 2.20 0.12 -2.07 119.74 114.97 1xrm s LYS 20 Ca -0.04 -0.67 -0.15 0.00 -0.36 0.00 0.00 55.97 54.75 1xrm s LYS 20 Cb -0.06 -2.20 -0.03 0.00 -1.51 0.00 0.00 37.83 34.02 1xrm s LYS 20 CO -0.00 -0.70 0.40 -1.17 -0.36 0.00 0.00 175.35 173.52 1xrm s LEU 21 N 1.71 4.08 -0.44 5.43 2.96 -0.48 -0.54 118.68 131.39 1xrm s LEU 21 Ca -0.00 0.28 -0.07 0.00 -0.22 0.00 0.00 54.13 54.12 1xrm s LEU 21 Cb -0.18 -2.46 0.11 0.00 0.50 0.00 0.00 46.19 44.17 1xrm s LEU 21 CO -0.11 -0.22 0.29 0.00 -1.32 0.00 0.00 176.35 174.98 1xrm s LYS 23 N 1.28 4.72 0.05 0.00 1.02 -1.26 -1.50 119.74 124.05 1xrm s LYS 23 Ca 0.07 1.66 -0.28 0.00 0.02 0.00 0.00 55.97 57.44 1xrm s LYS 23 Cb -0.25 -3.24 -0.05 0.00 -0.52 0.00 0.00 37.83 33.77 1xrm s LYS 23 CO -0.02 0.32 0.87 0.00 -0.92 0.00 0.00 175.35 175.60 1xrm s ALA 24 N -1.03 3.28 0.38 5.17 0.00 -1.26 -4.93 121.76 123.37 1xrm s ALA 24 Ca 0.44 0.42 0.18 0.00 0.00 0.00 0.00 51.96 53.00 1xrm s ALA 24 Cb -0.29 -3.16 1.12 0.00 0.00 0.00 0.00 23.12 20.79 1xrm s ALA 24 CO 0.37 -0.03 1.71 -1.35 0.00 0.00 0.00 175.76 176.45 1xrm h PRO 25 N 5.92 0.35 -1.76 0.00 0.11 -1.96 -1.70 132.00 132.95 1xrm h PRO 25 Ca -0.43 -0.02 -0.51 0.00 0.11 0.00 0.00 66.00 65.15 1xrm h PRO 25 Cb 1.21 -0.08 -0.41 0.00 0.11 0.00 0.00 31.00 31.83 1xrm h PRO 25 CO 0.72 0.23 -0.93 -1.91 -0.21 0.00 0.00 178.00 175.90 1xrm n GLU 26 N -4.78 2.23 -1.24 1.05 2.13 -1.26 -5.10 120.64 113.66 1xrm n GLU 26 Ca 0.29 -4.04 -0.46 0.00 0.66 0.00 0.00 57.16 53.60 1xrm n GLU 26 Cb 0.98 -1.89 -0.05 0.00 0.27 0.00 0.00 31.44 30.75 1xrm n GLU 26 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1xrm n GLU 27 N -0.12 0.00 0.00 5.31 2.13 -0.64 -4.61 120.64 122.71 1xrm n GLU 27 Ca 0.27 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.09 1xrm n GLU 27 Cb 0.62 -1.11 0.00 0.00 0.27 0.00 0.00 31.44 31.22 1xrm n GLU 27 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1xrm n LYS 28 N 1.11 3.20 -3.60 5.31 5.02 0.41 -4.98 118.16 124.63 1xrm n LYS 28 Ca 0.16 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.36 1xrm n LYS 28 Cb 0.12 -0.42 -0.05 0.00 -0.02 0.00 0.00 35.03 34.66 1xrm n LYS 28 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xrm s ALA 29 N -0.62 -1.97 -0.24 7.82 0.00 -1.06 -4.99 121.76 120.70 1xrm s ALA 29 Ca 0.00 1.68 -0.09 0.00 0.00 0.00 0.00 51.96 53.55 1xrm s ALA 29 Cb 0.00 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 1xrm s ALA 29 CO 0.00 -0.28 0.12 0.15 0.00 0.00 0.00 175.76 175.76 1xrm s LYS 30 N -0.81 3.94 -0.18 0.00 -0.14 -1.26 -0.67 119.74 120.62 1xrm s LYS 30 Ca 0.01 -0.34 -0.02 0.00 -1.36 0.00 0.00 55.97 54.26 1xrm s LYS 30 Cb -0.02 -3.44 -0.01 0.00 -1.68 0.00 0.00 37.83 32.69 1xrm s LYS 30 CO -0.02 0.02 -0.10 -1.17 -0.76 0.00 0.00 175.35 173.32 1xrm s LEU 31 N 1.13 2.71 -0.16 3.17 2.96 0.23 -0.54 118.68 128.20 1xrm s LEU 31 Ca 0.06 -0.41 -0.09 0.00 -0.22 0.00 0.00 54.13 53.46 1xrm s LEU 31 Cb -0.14 -1.66 -0.05 0.00 0.50 0.00 0.00 46.19 44.85 1xrm s LEU 31 CO 0.04 0.04 0.16 -0.32 -1.32 0.00 0.00 176.35 174.96 1xrm s MET 32 N 1.08 3.89 0.12 1.98 -2.45 0.18 -0.23 119.30 123.87 1xrm s MET 32 Ca 0.00 -0.12 0.08 0.00 -1.25 0.00 0.00 55.69 54.40 1xrm s MET 32 Cb -0.15 -3.32 -0.04 0.00 1.25 0.00 0.00 34.83 32.57 1xrm s MET 32 CO -0.02 0.50 -0.12 0.95 1.05 0.00 0.00 175.02 177.38 1xrm s THR 33 N -0.24 3.21 -0.18 10.11 -4.23 -0.69 -0.49 115.64 123.13 1xrm s THR 33 Ca 0.12 -1.40 -0.01 0.00 -1.18 0.00 0.00 61.69 59.22 1xrm s THR 33 Cb -0.12 -2.52 0.05 0.00 1.34 0.00 0.00 72.50 71.25 1xrm s THR 33 CO 0.02 0.06 -0.03 -0.04 -0.54 0.00 0.00 174.62 174.09 1xrm s MET 34 N -2.33 1.27 0.87 3.99 -1.94 -0.22 -4.54 119.30 116.41 1xrm s MET 34 Ca 0.21 -0.54 -0.11 0.00 -1.71 0.00 0.00 55.69 53.54 1xrm s MET 34 Cb -0.10 -2.06 0.12 0.00 2.01 0.00 0.00 34.83 34.79 1xrm s MET 34 CO 0.13 -0.49 1.09 -3.38 -0.01 0.00 0.00 175.02 172.36 1xrm s HIS 35 N 1.66 2.32 0.00 -0.03 -3.43 -1.26 -2.10 115.29 112.44 1xrm s HIS 35 Ca -0.00 1.35 0.00 0.00 -0.80 0.00 0.00 55.06 55.61 1xrm s HIS 35 Cb -0.16 -3.14 0.00 0.00 -1.43 0.00 0.00 32.58 27.85 1xrm s HIS 35 CO -0.07 -2.31 0.00 0.41 -2.00 0.00 0.00 174.74 170.77 1xrm n GLY 36 N -1.03 0.28 0.00 -1.38 0.00 -1.15 -2.93 105.19 98.97 1xrm n GLY 36 Ca 0.08 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1xrm n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xrm n GLY 37 N 5.00 0.63 3.77 -0.02 0.00 -1.26 -3.47 105.19 109.84 1xrm n GLY 37 Ca 0.00 -0.95 -0.39 0.00 0.00 0.00 0.00 46.02 44.68 1xrm n GLY 37 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1xrm s PRO 38 N 0.00 3.96 0.00 1.61 0.02 -1.26 -4.64 135.00 134.69 1xrm s PRO 38 Ca 0.00 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.09 1xrm s PRO 38 Cb 0.00 -2.71 0.00 0.00 0.02 0.00 0.00 34.50 31.81 1xrm s PRO 38 CO 0.00 -0.47 0.00 0.41 -0.33 0.00 0.00 177.00 176.61 1xrm n GLY 39 N 0.66 0.94 0.00 0.52 0.00 -1.26 -2.77 105.19 103.29 1xrm n GLY 39 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1xrm n GLY 39 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1xrm n MET 40 N -0.61 0.53 -3.69 1.61 2.81 -1.23 -2.92 117.12 113.63 1xrm n MET 40 Ca 0.00 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.88 1xrm n MET 40 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.50 1xrm n MET 40 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1xrm s SER 41 N -1.35 -0.12 0.43 7.83 1.04 -1.26 -3.25 113.70 117.02 1xrm s SER 41 Ca 0.00 -0.27 0.16 0.00 0.48 0.00 0.00 55.95 56.32 1xrm s SER 41 Cb 0.00 0.32 0.96 0.00 0.10 0.00 0.00 66.02 67.41 1xrm s SER 41 CO 0.00 -0.60 1.94 1.12 0.98 0.00 0.00 173.24 176.68 1xrm h HIS 42 N 2.00 0.00 -0.74 5.02 2.07 -1.98 -3.31 115.15 118.21 1xrm h HIS 42 Ca -0.27 0.00 0.14 0.00 -2.85 0.00 0.00 60.37 57.39 1xrm h HIS 42 Cb 1.22 0.00 -0.14 0.00 2.57 0.00 0.00 27.41 31.06 1xrm h HIS 42 CO 0.35 0.25 -0.21 -0.25 -3.07 0.00 0.00 177.93 175.00 1xrm n ASP 43 N -4.10 -0.32 0.00 3.10 8.00 -1.26 0.43 116.55 122.40 1xrm n ASP 43 Ca -0.02 1.28 0.07 0.00 0.71 0.00 0.00 54.79 56.82 1xrm n ASP 43 Cb 0.31 -0.36 0.39 0.00 -0.02 0.00 0.00 41.12 41.44 1xrm n ASP 43 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xrm n TYR 44 N -5.18 0.00 0.43 1.24 4.11 -1.10 -2.64 117.16 114.02 1xrm n TYR 44 Ca 0.11 0.00 0.05 0.00 -0.00 0.00 0.00 57.90 58.05 1xrm n TYR 44 Cb 0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.68 1xrm n TYR 44 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 1xrm n LEU 45 N -0.73 1.06 -0.16 -3.48 4.77 0.17 -4.63 117.00 113.99 1xrm n LEU 45 Ca 0.10 -0.72 0.27 0.00 -0.03 0.00 0.00 56.01 55.64 1xrm n LEU 45 Cb 0.05 0.00 0.72 0.00 -2.33 0.00 0.00 43.42 41.85 1xrm n LEU 45 CO 0.07 0.22 1.25 -0.07 -1.33 0.00 0.00 177.39 177.53 1xrm h LEU 46 N 0.89 0.00 -1.98 2.23 3.38 -1.39 0.02 115.31 118.45 1xrm h LEU 46 Ca 0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 1xrm h LEU 46 Cb 0.31 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1xrm h LEU 46 CO 0.00 0.00 0.42 0.77 0.09 0.00 0.00 178.44 179.72 1xrm h SER 47 N 0.00 0.00 0.00 -0.43 4.64 -1.83 0.78 113.55 116.71 1xrm h SER 47 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1xrm h SER 47 Cb 1.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 1xrm h SER 47 CO -0.01 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.13 1xrm n LEU 48 N -3.61 0.00 0.13 5.97 4.32 -0.01 -2.97 117.00 120.84 1xrm n LEU 48 Ca 0.06 0.00 0.02 0.00 -0.02 0.00 0.00 56.01 56.07 1xrm n LEU 48 Cb 0.58 0.00 0.36 0.00 -1.62 0.00 0.00 43.42 42.74 1xrm n LEU 48 CO 0.25 0.00 0.82 -0.09 -1.22 0.00 0.00 177.39 177.16 1xrm h ARG 49 N 0.00 0.19 -1.06 3.23 2.43 0.39 -2.77 114.38 116.79 1xrm h ARG 49 Ca 0.00 -0.06 0.30 0.00 -0.81 0.00 0.00 59.98 59.42 1xrm h ARG 49 Cb 0.00 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.48 1xrm h ARG 49 CO 0.00 0.41 0.76 -0.44 -1.51 0.00 0.00 179.97 179.18 1xrm h ASP 50 N 0.18 0.06 0.03 -3.80 3.45 -1.75 0.06 116.42 114.66 1xrm h ASP 50 Ca 0.03 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.50 1xrm h ASP 50 Cb 0.49 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.26 1xrm h ASP 50 CO 0.03 0.01 0.00 0.23 -1.57 0.00 0.00 179.24 177.95 1xrm n MET 51 N -4.27 0.15 0.22 3.56 2.81 -1.04 -1.21 117.12 117.33 1xrm n MET 51 Ca 0.23 0.63 0.08 0.00 -1.81 0.00 0.00 57.70 56.83 1xrm n MET 51 Cb 1.10 -1.97 0.51 0.00 -0.71 0.00 0.00 33.22 32.15 1xrm n MET 51 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1xrm h THR 52 N 0.00 0.86 0.00 2.03 1.35 -0.79 0.22 112.91 116.58 1xrm h THR 52 Ca 0.00 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 1xrm h THR 52 Cb 0.02 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1xrm h THR 52 CO 0.00 0.25 0.00 0.29 -0.25 0.00 0.00 175.52 175.81 1xrm n LYS 53 N -3.77 0.02 -0.63 4.72 5.02 -0.35 -2.04 118.16 121.13 1xrm n LYS 53 Ca -0.01 0.22 0.03 0.00 -2.02 0.00 0.00 58.31 56.53 1xrm n LYS 53 Cb 0.35 -1.50 0.25 0.00 -0.02 0.00 0.00 35.03 34.12 1xrm n LYS 53 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1xrm n GLU 54 N -1.49 2.78 -2.01 1.97 -0.58 0.03 -4.93 120.64 116.41 1xrm n GLU 54 Ca 0.04 -2.97 -0.10 0.00 -0.42 0.00 0.00 57.16 53.71 1xrm n GLU 54 Cb 0.18 -1.90 -0.01 0.00 -0.57 0.00 0.00 31.44 29.14 1xrm n GLU 54 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xrm n GLY 55 N -0.61 0.19 3.04 0.62 0.00 -0.87 -4.86 105.19 102.70 1xrm n GLY 55 Ca 0.28 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 1xrm n GLY 55 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xrm s ILE 56 N -2.47 1.94 0.09 -0.61 1.01 -0.95 0.16 121.20 120.37 1xrm s ILE 56 Ca 0.00 -1.35 -0.30 0.00 0.00 0.00 0.00 60.65 59.00 1xrm s ILE 56 Cb 0.00 -2.03 -0.06 0.00 0.01 0.00 0.00 42.46 40.38 1xrm s ILE 56 CO 0.00 0.07 1.12 -0.89 0.00 0.00 0.00 174.94 175.24 1xrm s THR 57 N 1.23 4.16 -0.15 2.92 2.01 0.16 -2.77 115.64 123.21 1xrm s THR 57 Ca -0.05 1.65 0.00 0.00 0.31 0.00 0.00 61.69 63.60 1xrm s THR 57 Cb -0.18 -4.06 -0.00 0.00 0.01 0.00 0.00 72.50 68.27 1xrm s THR 57 CO -0.07 0.18 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.20 1xrm s VAL 58 N 0.61 2.65 -0.33 3.82 1.01 -0.56 0.78 120.40 128.37 1xrm s VAL 58 Ca 0.54 -0.78 -0.11 0.00 0.00 0.00 0.00 61.98 61.64 1xrm s VAL 58 Cb -0.28 -2.11 -0.00 0.00 0.00 0.00 0.00 36.38 33.99 1xrm s VAL 58 CO 0.31 0.52 0.18 -0.22 0.00 0.00 0.00 175.10 175.89 1xrm s LEU 59 N 0.75 4.30 0.15 3.92 2.96 0.68 -0.83 118.68 130.60 1xrm s LEU 59 Ca -0.06 -0.58 0.03 0.00 -0.22 0.00 0.00 54.13 53.29 1xrm s LEU 59 Cb -0.15 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 1xrm s LEU 59 CO 0.01 -0.24 0.21 -0.36 -1.32 0.00 0.00 176.35 174.66 1xrm s PHE 60 N 1.63 3.35 -0.22 5.38 0.08 0.30 -1.70 117.98 126.80 1xrm s PHE 60 Ca 0.04 0.07 -0.28 0.00 0.12 0.00 0.00 56.93 56.89 1xrm s PHE 60 Cb -0.17 -1.61 0.13 0.00 -0.57 0.00 0.00 43.02 40.79 1xrm s PHE 60 CO 0.07 0.52 1.05 1.52 -0.10 0.00 0.00 175.22 178.29 1xrm s TYR 61 N -1.71 -0.37 -0.15 0.36 1.13 -1.26 0.12 117.35 115.47 1xrm s TYR 61 Ca 0.33 0.75 -0.22 0.00 -1.41 0.00 0.00 57.07 56.52 1xrm s TYR 61 Cb -0.11 0.42 -0.03 0.00 -1.10 0.00 0.00 41.96 41.15 1xrm s TYR 61 CO 0.26 -0.27 0.65 -0.51 -2.51 0.00 0.00 175.55 173.18 1xrm s ASP 62 N -0.59 6.80 1.07 -0.18 -0.00 -0.03 -4.26 116.67 119.48 1xrm s ASP 62 Ca 0.01 0.97 -0.16 0.00 -0.00 0.00 0.00 52.55 53.38 1xrm s ASP 62 Cb -0.02 -2.37 0.23 0.00 -0.00 0.00 0.00 42.92 40.75 1xrm s ASP 62 CO -0.02 -0.21 1.12 -1.10 -0.00 0.00 0.00 175.17 174.96 1xrm s GLN 63 N 1.45 -0.17 0.01 8.23 -0.21 -1.26 -4.29 119.66 123.42 1xrm s GLN 63 Ca 0.32 0.15 -0.36 0.00 0.02 0.00 0.00 55.36 55.49 1xrm s GLN 63 Cb -0.16 -1.70 -0.15 0.00 1.00 0.00 0.00 33.01 32.00 1xrm s GLN 63 CO 0.13 -3.06 1.57 1.97 -2.12 0.00 0.00 175.29 173.78 1xrm n PHE 64 N -4.34 1.96 -0.95 0.91 -1.74 -1.26 -0.99 117.46 111.05 1xrm n PHE 64 Ca 0.09 0.41 0.00 0.00 -0.56 0.00 0.00 57.45 57.39 1xrm n PHE 64 Cb 0.59 -2.47 0.00 0.00 1.52 0.00 0.00 39.48 39.12 1xrm n PHE 64 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1xrm n GLY 65 N 3.39 0.72 3.83 4.97 0.00 -0.99 -4.89 105.19 112.22 1xrm n GLY 65 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 1xrm n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xrm n GLY 67 N -0.66 1.94 0.04 0.00 0.00 -1.20 -1.56 105.19 103.76 1xrm n GLY 67 Ca -0.08 0.51 0.11 0.00 0.00 0.00 0.00 46.02 46.56 1xrm n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xrm n ARG 68 N 4.47 0.61 -1.55 1.61 1.74 -1.26 -4.96 116.66 117.32 1xrm n ARG 68 Ca 0.00 -0.08 -0.33 0.00 -0.77 0.00 0.00 57.85 56.67 1xrm n ARG 68 Cb 0.00 -1.62 0.07 0.00 -1.02 0.00 0.00 32.46 29.89 1xrm n ARG 68 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1xrm s SER 69 N -4.72 4.59 0.50 0.55 0.01 -0.60 -4.79 113.70 109.25 1xrm s SER 69 Ca -0.05 2.15 -0.16 0.00 1.31 0.00 0.00 55.95 59.21 1xrm s SER 69 Cb 0.13 -2.57 -0.08 0.00 0.21 0.00 0.00 66.02 63.71 1xrm s SER 69 CO 0.86 -1.98 0.95 -1.83 0.41 0.00 0.00 173.24 171.65 1xrm s GLU 70 N -4.08 3.92 -0.16 12.44 -1.05 -0.46 -4.24 118.70 125.07 1xrm s GLU 70 Ca 0.70 0.88 -0.20 0.00 -0.15 0.00 0.00 54.97 56.19 1xrm s GLU 70 Cb -0.24 -2.18 -0.03 0.00 -0.44 0.00 0.00 34.13 31.24 1xrm s GLU 70 CO 0.44 -0.24 0.58 -2.00 0.95 0.00 0.00 175.26 175.00 1xrm s GLU 71 N -4.04 4.26 0.82 -4.83 2.12 -1.26 -2.33 118.70 113.43 1xrm s GLU 71 Ca 0.58 0.57 -0.07 0.00 0.36 0.00 0.00 54.97 56.40 1xrm s GLU 71 Cb -0.10 -3.53 0.16 0.00 0.26 0.00 0.00 34.13 30.92 1xrm s GLU 71 CO 0.31 -0.10 1.13 -1.25 -0.54 0.00 0.00 175.26 174.82 1xrm s PRO 72 N 1.44 1.25 0.24 4.30 0.04 -1.26 -4.90 135.00 136.11 1xrm s PRO 72 Ca 0.28 -0.81 -0.31 0.00 0.04 0.00 0.00 61.00 60.20 1xrm s PRO 72 Cb -0.16 -2.13 -0.14 0.00 0.04 0.00 0.00 34.50 32.12 1xrm s PRO 72 CO 0.11 -1.85 1.31 -3.47 0.04 0.00 0.00 177.00 173.15 1xrm n ASP 73 N -3.22 2.32 0.28 6.66 2.03 -1.26 -4.81 116.55 118.55 1xrm n ASP 73 Ca 0.15 1.15 0.17 0.00 0.52 0.00 0.00 54.79 56.78 1xrm n ASP 73 Cb 0.60 -1.37 0.83 0.00 -0.72 0.00 0.00 41.12 40.46 1xrm n ASP 73 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 1xrm h GLN 74 N 3.71 0.00 0.00 -0.67 4.20 -2.00 0.53 115.11 120.89 1xrm h GLN 74 Ca -0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.27 1xrm h GLN 74 Cb 1.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.08 1xrm h GLN 74 CO 0.72 0.00 0.00 -1.13 -0.67 0.00 0.00 178.83 177.75 1xrm n SER 75 N -3.14 0.60 -1.49 1.46 3.41 -1.26 -2.02 113.62 111.18 1xrm n SER 75 Ca 0.00 0.64 0.11 0.00 -0.26 0.00 0.00 58.87 59.36 1xrm n SER 75 Cb 0.41 -0.77 0.35 0.00 -0.26 0.00 0.00 64.21 63.93 1xrm n SER 75 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1xrm n LYS 76 N -2.16 3.20 -1.98 4.33 5.02 0.19 -4.68 118.16 122.07 1xrm n LYS 76 Ca 0.02 -2.79 -0.42 0.00 -2.02 0.00 0.00 58.31 53.10 1xrm n LYS 76 Cb 0.23 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 1xrm n LYS 76 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1xrm n PHE 77 N 1.46 3.22 -4.17 2.13 0.99 -0.86 -4.74 117.46 115.50 1xrm n PHE 77 Ca 0.26 -2.89 -0.11 0.00 -0.00 0.00 0.00 57.45 54.71 1xrm n PHE 77 Cb 0.75 -2.28 -0.10 0.00 -1.00 0.00 0.00 39.48 36.86 1xrm n PHE 77 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 1xrm s THR 78 N 1.85 0.69 0.14 4.37 -4.23 -1.26 -4.93 115.64 112.27 1xrm s THR 78 Ca 0.44 -1.93 -0.12 0.00 -1.18 0.00 0.00 61.69 58.90 1xrm s THR 78 Cb 0.12 -1.68 -0.03 0.00 1.34 0.00 0.00 72.50 72.26 1xrm s THR 78 CO -0.05 -0.87 1.51 0.40 -0.54 0.00 0.00 174.62 175.07 1xrm h ILE 79 N 2.97 1.28 -0.08 2.99 2.04 -1.99 -1.75 117.51 122.98 1xrm h ILE 79 Ca -0.35 -1.36 -0.00 0.00 1.00 0.00 0.00 64.86 64.14 1xrm h ILE 79 Cb 1.17 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 38.52 1xrm h ILE 79 CO 0.65 0.46 0.04 0.44 0.00 0.00 0.00 178.15 179.73 1xrm h ASP 80 N 0.69 0.09 -0.11 1.72 3.45 -1.96 -1.14 116.42 119.16 1xrm h ASP 80 Ca 0.09 -0.00 -0.13 0.00 0.43 0.00 0.00 57.03 57.41 1xrm h ASP 80 Cb 0.78 -0.02 0.01 0.00 -0.56 0.00 0.00 39.33 39.53 1xrm h ASP 80 CO 0.06 0.08 -0.46 0.22 -1.57 0.00 0.00 179.24 177.58 1xrm h TYR 81 N 0.11 0.66 -0.57 4.55 3.20 -1.75 -2.98 116.97 120.18 1xrm h TYR 81 Ca 0.03 -0.29 0.04 0.00 3.14 0.00 0.00 58.73 61.65 1xrm h TYR 81 Cb 0.02 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.15 1xrm h TYR 81 CO 0.00 1.05 0.38 0.78 -1.64 0.00 0.00 178.16 178.73 1xrm h GLY 82 N 0.09 0.74 1.00 1.82 0.00 -0.38 -0.91 103.07 105.42 1xrm h GLY 82 Ca -0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 1xrm h GLY 82 CO 0.10 0.21 -0.20 -2.08 0.00 0.00 0.00 176.54 174.56 1xrm h VAL 83 N 0.63 0.58 -0.45 4.60 2.07 -1.17 0.87 116.25 123.39 1xrm h VAL 83 Ca 0.23 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.73 1xrm h VAL 83 Cb 0.14 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1xrm h VAL 83 CO -0.06 0.00 0.29 -0.33 0.02 0.00 0.00 177.57 177.49 1xrm h GLU 84 N -0.58 0.59 -0.30 1.57 4.39 -1.30 0.41 114.58 119.36 1xrm h GLU 84 Ca -0.06 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 1xrm h GLU 84 Cb 0.44 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1xrm h GLU 84 CO 0.10 0.40 0.13 1.49 -1.16 0.00 0.00 179.01 179.97 1xrm h GLU 85 N 0.61 0.44 -0.04 2.33 4.81 -0.75 0.13 114.58 122.12 1xrm h GLU 85 Ca 0.16 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1xrm h GLU 85 Cb -0.05 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.25 1xrm h GLU 85 CO -0.03 0.44 0.02 0.00 -0.73 0.00 0.00 179.01 178.71 1xrm h ALA 86 N 0.98 0.05 -0.44 2.92 0.00 0.15 -0.62 119.26 122.31 1xrm h ALA 86 Ca 0.10 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1xrm h ALA 86 Cb 0.16 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1xrm h ALA 86 CO -0.01 -0.41 0.25 1.49 0.00 0.00 0.00 179.25 180.57 1xrm h GLU 87 N -0.01 0.49 -0.77 0.00 4.57 -0.78 0.33 114.58 118.41 1xrm h GLU 87 Ca 0.01 -0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.21 1xrm h GLU 87 Cb 0.07 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.51 1xrm h GLU 87 CO -0.00 0.32 0.50 0.00 -1.18 0.00 0.00 179.01 178.66 1xrm h ALA 88 N 1.20 1.58 -0.03 2.92 0.00 -0.53 -0.19 119.26 124.21 1xrm h ALA 88 Ca 0.18 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.80 1xrm h ALA 88 Cb 0.03 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 17.59 1xrm h ALA 88 CO -0.09 0.33 -0.98 1.25 0.00 0.00 0.00 179.25 179.77 1xrm h LEU 89 N 0.90 0.91 -1.29 0.00 5.85 -0.27 -0.65 115.31 120.76 1xrm h LEU 89 Ca 0.31 -0.72 -0.06 0.00 0.84 0.00 0.00 57.88 58.26 1xrm h LEU 89 Cb 0.11 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1xrm h LEU 89 CO -0.10 1.50 -0.15 -0.09 -0.34 0.00 0.00 178.44 179.26 1xrm h ARG 90 N 0.41 0.29 0.05 1.25 2.43 0.32 -2.00 114.38 117.14 1xrm h ARG 90 Ca -0.11 -0.08 -0.30 0.00 -0.81 0.00 0.00 59.98 58.68 1xrm h ARG 90 Cb 1.63 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 31.11 1xrm h ARG 90 CO 0.19 0.45 -1.62 1.03 -1.51 0.00 0.00 179.97 178.51 1xrm h SER 91 N 0.27 0.16 1.13 -3.80 0.87 -1.08 -1.66 113.55 109.44 1xrm h SER 91 Ca 0.05 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 1xrm h SER 91 Cb 0.44 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1xrm h SER 91 CO 0.03 1.25 0.00 0.50 -0.53 0.00 0.00 176.83 178.08 1xrm h LYS 92 N 0.03 0.00 0.00 2.24 3.11 -0.97 -0.19 116.57 120.79 1xrm h LYS 92 Ca -0.26 0.00 -0.20 0.00 -2.81 0.00 0.00 60.65 57.37 1xrm h LYS 92 Cb 1.99 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 33.18 1xrm h LYS 92 CO 0.11 0.00 -1.77 1.28 -2.81 0.00 0.00 179.45 176.26 1xrm n LEU 93 N -2.87 2.76 -0.04 5.20 4.77 -0.76 -4.78 117.00 121.28 1xrm n LEU 93 Ca 0.02 -0.07 0.03 0.00 -0.03 0.00 0.00 56.01 55.95 1xrm n LEU 93 Cb 0.33 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 40.98 1xrm n LEU 93 CO 0.27 0.70 0.05 0.49 -1.33 0.00 0.00 177.39 177.56 1xrm n PHE 94 N -2.86 0.00 0.00 -1.77 3.72 -0.64 -5.08 117.46 110.83 1xrm n PHE 94 Ca -0.24 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.16 1xrm n PHE 94 Cb 0.76 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.30 1xrm n PHE 94 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xrm n GLY 95 N 0.99 1.51 1.07 1.37 0.00 -0.08 -2.76 105.19 107.30 1xrm n GLY 95 Ca 0.01 0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.14 1xrm n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xrm n ASN 96 N 10.84 4.02 -4.69 1.61 3.02 -1.26 -4.34 115.26 124.45 1xrm n ASN 96 Ca 0.00 -2.63 -0.42 0.00 -0.03 0.00 0.00 54.58 51.49 1xrm n ASN 96 Cb 0.00 -0.49 -0.03 0.00 -0.61 0.00 0.00 39.78 38.66 1xrm n ASN 96 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1xrm s GLU 97 N -2.15 4.47 -0.13 3.52 2.12 -1.11 -5.00 118.70 120.41 1xrm s GLU 97 Ca 0.41 1.40 -0.29 0.00 0.36 0.00 0.00 54.97 56.84 1xrm s GLU 97 Cb 0.29 -3.52 -0.02 0.00 0.26 0.00 0.00 34.13 31.15 1xrm s GLU 97 CO 0.15 -0.23 1.21 0.15 -0.54 0.00 0.00 175.26 176.00 1xrm s LYS 98 N 1.68 4.28 0.54 4.30 1.02 -1.26 -4.96 119.74 125.34 1xrm s LYS 98 Ca 0.50 1.63 0.02 0.00 0.02 0.00 0.00 55.97 58.13 1xrm s LYS 98 Cb -0.19 -3.68 0.02 0.00 -0.52 0.00 0.00 37.83 33.46 1xrm s LYS 98 CO 0.21 -0.60 0.18 0.14 -0.92 0.00 0.00 175.35 174.36 1xrm s VAL 99 N 2.98 1.26 -0.12 3.17 -7.23 -0.93 -4.64 120.40 114.89 1xrm s VAL 99 Ca 0.54 -1.79 -0.06 0.00 -1.81 0.00 0.00 61.98 58.86 1xrm s VAL 99 Cb -0.22 -2.05 -0.04 0.00 0.56 0.00 0.00 36.38 34.64 1xrm s VAL 99 CO 0.16 0.00 0.11 -0.36 -0.31 0.00 0.00 175.10 174.70 1xrm s PHE 100 N -2.86 3.49 -0.13 2.82 0.08 0.30 -0.53 117.98 121.14 1xrm s PHE 100 Ca 0.15 0.43 0.01 0.00 0.12 0.00 0.00 56.93 57.64 1xrm s PHE 100 Cb -0.01 -1.93 -0.01 0.00 -0.57 0.00 0.00 43.02 40.50 1xrm s PHE 100 CO 0.09 0.63 -0.16 -1.17 -0.10 0.00 0.00 175.22 174.52 1xrm s LEU 101 N -0.85 2.52 0.01 -0.37 2.96 -0.69 0.49 118.68 122.75 1xrm s LEU 101 Ca 0.14 -0.42 0.08 0.00 -0.22 0.00 0.00 54.13 53.71 1xrm s LEU 101 Cb -0.12 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 44.99 1xrm s LEU 101 CO 0.03 0.13 -0.25 -0.32 -1.32 0.00 0.00 176.35 174.62 1xrm s MET 102 N 0.54 1.90 -0.02 1.98 -2.45 0.36 0.11 119.30 121.72 1xrm s MET 102 Ca -0.10 -0.96 -0.01 0.00 -1.25 0.00 0.00 55.69 53.36 1xrm s MET 102 Cb -0.16 -1.93 0.02 0.00 1.25 0.00 0.00 34.83 34.01 1xrm s MET 102 CO 0.04 0.52 0.05 0.20 1.05 0.00 0.00 175.02 176.88 1xrm s GLY 103 N -0.84 0.01 -0.09 2.11 0.00 0.04 -1.06 107.32 107.50 1xrm s GLY 103 Ca 0.10 0.24 -0.00 0.00 0.00 0.00 0.00 44.72 45.06 1xrm s GLY 103 CO 0.00 0.38 -0.07 -0.45 0.00 0.00 0.00 173.10 172.96 1xrm s SER 104 N 0.46 4.61 1.12 1.64 0.15 -0.89 -0.60 113.70 120.18 1xrm s SER 104 Ca -0.04 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.54 1xrm s SER 104 Cb -0.05 -1.33 0.00 0.00 -1.71 0.00 0.00 66.02 62.93 1xrm s SER 104 CO -0.02 0.30 0.00 -0.24 1.20 0.00 0.00 173.24 174.49 1xrm n SER 105 N 2.61 0.00 -0.05 5.45 2.88 -0.77 0.67 113.62 124.42 1xrm n SER 105 Ca -0.18 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.53 1xrm n SER 105 Cb 0.53 0.00 0.60 0.00 -0.75 0.00 0.00 64.21 64.58 1xrm n SER 105 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1xrm h TYR 106 N 0.00 0.22 -0.30 0.66 5.03 -1.83 0.22 116.97 120.97 1xrm h TYR 106 Ca 0.00 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.27 1xrm h TYR 106 Cb 0.00 -0.07 -0.02 0.00 1.55 0.00 0.00 36.73 38.19 1xrm h TYR 106 CO 0.00 0.09 -0.02 0.78 -1.32 0.00 0.00 178.16 177.70 1xrm h GLY 107 N 0.20 0.50 0.82 1.82 0.00 0.36 -0.11 103.07 106.66 1xrm h GLY 107 Ca 0.27 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 1xrm h GLY 107 CO -0.05 0.27 -0.07 -1.33 0.00 0.00 0.00 176.54 175.36 1xrm h GLY 108 N 0.80 0.47 0.56 4.60 0.00 -0.38 0.40 103.07 109.52 1xrm h GLY 108 Ca 0.10 -0.40 0.06 0.00 0.00 0.00 0.00 47.33 47.09 1xrm h GLY 108 CO 0.01 0.36 0.13 0.00 0.00 0.00 0.00 176.54 177.04 1xrm h ALA 109 N 0.73 0.50 -0.48 3.60 0.00 -1.13 0.14 119.26 122.61 1xrm h ALA 109 Ca 0.05 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1xrm h ALA 109 Cb 0.54 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1xrm h ALA 109 CO 0.02 -0.27 0.30 1.25 0.00 0.00 0.00 179.25 180.55 1xrm h LEU 110 N 0.28 0.49 -0.96 0.00 5.85 -0.81 -0.77 115.31 119.39 1xrm h LEU 110 Ca 0.20 -0.00 0.10 0.00 0.84 0.00 0.00 57.88 59.03 1xrm h LEU 110 Cb 0.22 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.06 1xrm h LEU 110 CO -0.23 0.35 0.60 0.00 -0.34 0.00 0.00 178.44 178.81 1xrm h ALA 111 N 1.20 1.41 -0.23 1.25 0.00 0.10 0.14 119.26 123.13 1xrm h ALA 111 Ca 0.19 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1xrm h ALA 111 Cb -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1xrm h ALA 111 CO -0.07 0.24 -0.02 -0.07 0.00 0.00 0.00 179.25 179.32 1xrm h LEU 112 N 0.98 0.42 -0.74 0.00 3.38 -0.02 0.19 115.31 119.52 1xrm h LEU 112 Ca 0.46 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 58.14 1xrm h LEU 112 Cb 0.40 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 1xrm h LEU 112 CO -0.24 0.65 0.46 0.00 0.09 0.00 0.00 178.44 179.39 1xrm h ALA 113 N 0.79 0.98 0.25 1.53 0.00 -0.12 0.30 119.26 122.99 1xrm h ALA 113 Ca 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1xrm h ALA 113 Cb 0.44 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1xrm h ALA 113 CO 0.02 0.23 -0.12 -0.92 0.00 0.00 0.00 179.25 178.45 1xrm h TYR 114 N 0.88 -0.31 -0.89 0.00 3.20 -0.63 -2.92 116.97 116.31 1xrm h TYR 114 Ca 0.30 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.33 1xrm h TYR 114 Cb 0.06 0.10 -0.07 0.00 1.54 0.00 0.00 36.73 38.36 1xrm h TYR 114 CO -0.04 -0.02 0.58 0.00 -1.64 0.00 0.00 178.16 177.03 1xrm h ALA 115 N 0.10 1.98 0.00 1.82 0.00 0.04 0.92 119.26 124.11 1xrm h ALA 115 Ca -0.03 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1xrm h ALA 115 Cb 0.42 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1xrm h ALA 115 CO 0.06 -0.24 -0.16 0.28 0.00 0.00 0.00 179.25 179.19 1xrm h VAL 116 N 0.57 0.97 0.00 0.00 2.07 -0.23 -2.19 116.25 117.43 1xrm h VAL 116 Ca 0.46 -0.57 -0.23 0.00 0.82 0.00 0.00 66.70 67.18 1xrm h VAL 116 Cb 0.90 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 1xrm h VAL 116 CO -0.20 0.15 -1.87 1.17 0.02 0.00 0.00 177.57 176.85 1xrm n LYS 117 N -4.14 0.95 -1.44 1.57 4.81 -0.01 -4.76 118.16 115.15 1xrm n LYS 117 Ca -0.02 0.06 -0.13 0.00 -0.87 0.00 0.00 58.31 57.34 1xrm n LYS 117 Cb 0.23 -1.31 0.10 0.00 0.02 0.00 0.00 35.03 34.07 1xrm n LYS 117 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1xrm n TYR 118 N -2.78 1.72 0.28 5.64 4.01 0.30 -4.74 117.16 121.59 1xrm n TYR 118 Ca -0.25 -1.96 0.17 0.00 -0.16 0.00 0.00 57.90 55.70 1xrm n TYR 118 Cb 0.83 -0.35 0.80 0.00 -0.31 0.00 0.00 39.34 40.30 1xrm n TYR 118 CO 0.00 0.00 0.00 -0.56 -0.46 0.00 0.00 176.86 175.84 1xrm h GLN 119 N 1.70 0.00 0.00 -0.72 3.07 -1.52 -1.84 115.11 115.80 1xrm h GLN 119 Ca 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.98 1xrm h GLN 119 Cb 1.34 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.90 1xrm h GLN 119 CO 0.50 0.06 -0.00 -0.44 0.09 0.00 0.00 178.83 179.04 1xrm h ASP 120 N 0.00 0.00 -0.50 0.06 3.32 -1.86 0.20 116.42 117.64 1xrm h ASP 120 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xrm h ASP 120 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1xrm h ASP 120 CO 0.01 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.94 1xrm n HIS 121 N -3.10 0.66 -4.96 4.55 8.25 -0.69 -4.93 115.22 115.01 1xrm n HIS 121 Ca -0.03 -0.33 -0.30 0.00 -0.26 0.00 0.00 57.72 56.80 1xrm n HIS 121 Cb 0.09 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.05 1xrm n HIS 121 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1xrm s LEU 122 N -1.25 2.15 -0.01 2.41 1.43 0.70 -2.20 118.68 121.91 1xrm s LEU 122 Ca 0.41 -0.57 0.20 0.00 -1.03 0.00 0.00 54.13 53.13 1xrm s LEU 122 Cb 0.22 -1.29 -0.23 0.00 0.03 0.00 0.00 46.19 44.93 1xrm s LEU 122 CO 0.30 0.27 0.76 0.29 0.23 0.00 0.00 176.35 178.20 1xrm n LYS 123 N 1.87 0.55 -3.61 1.70 5.02 0.31 -4.87 118.16 119.14 1xrm n LYS 123 Ca -0.17 -0.04 -0.06 0.00 -2.02 0.00 0.00 58.31 56.03 1xrm n LYS 123 Cb 0.52 -1.43 -0.04 0.00 -0.02 0.00 0.00 35.03 34.05 1xrm n LYS 123 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1xrm s GLY 124 N -3.13 -0.10 -0.10 0.72 0.00 -1.26 -4.37 107.32 99.08 1xrm s GLY 124 Ca 0.05 2.36 0.03 0.00 0.00 0.00 0.00 44.72 47.16 1xrm s GLY 124 CO 0.81 1.02 -0.20 -2.27 0.00 0.00 0.00 173.10 172.45 1xrm s LEU 125 N -1.17 1.95 -0.19 0.66 2.96 0.11 -1.70 118.68 121.30 1xrm s LEU 125 Ca 0.04 -0.49 -0.00 0.00 -0.22 0.00 0.00 54.13 53.46 1xrm s LEU 125 Cb -0.01 -1.25 0.02 0.00 0.50 0.00 0.00 46.19 45.45 1xrm s LEU 125 CO -0.04 0.11 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.31 1xrm s ILE 126 N 0.54 2.38 -0.30 6.68 1.01 0.12 -0.12 121.20 131.50 1xrm s ILE 126 Ca -0.15 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 59.64 1xrm s ILE 126 Cb -0.17 -2.04 0.07 0.00 0.01 0.00 0.00 42.46 40.33 1xrm s ILE 126 CO 0.05 0.48 -0.02 -0.69 0.00 0.00 0.00 174.94 174.77 1xrm s VAL 127 N 1.32 2.47 -0.37 2.92 1.01 0.15 -0.78 120.40 127.13 1xrm s VAL 127 Ca 0.04 -1.81 -0.12 0.00 0.00 0.00 0.00 61.98 60.09 1xrm s VAL 127 Cb -0.14 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.69 1xrm s VAL 127 CO -0.10 -0.26 0.23 -0.44 0.00 0.00 0.00 175.10 174.53 1xrm s SER 128 N 1.14 5.88 -1.54 3.32 0.01 0.23 -1.27 113.70 121.48 1xrm s SER 128 Ca -0.01 -0.80 -0.05 0.00 1.31 0.00 0.00 55.95 56.40 1xrm s SER 128 Cb -0.20 -2.08 0.01 0.00 0.21 0.00 0.00 66.02 63.96 1xrm s SER 128 CO -0.05 -0.35 0.65 0.61 0.41 0.00 0.00 173.24 174.51 1xrm n GLY 129 N 5.07 -0.52 3.99 3.44 0.00 -0.28 -1.84 105.19 115.04 1xrm n GLY 129 Ca -0.12 0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 1xrm n GLY 129 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xrm s GLY 130 N -2.75 1.76 -0.05 -0.02 0.00 -1.26 -2.69 107.32 102.31 1xrm s GLY 130 Ca 0.33 -1.80 -0.15 0.00 0.00 0.00 0.00 44.72 43.11 1xrm s GLY 130 CO 0.41 -1.13 0.33 0.48 0.00 0.00 0.00 173.10 173.20 1xrm s LEU 131 N -5.33 0.74 0.00 0.66 2.34 -1.26 -4.64 118.68 111.20 1xrm s LEU 131 Ca 0.70 0.28 0.16 0.00 0.06 0.00 0.00 54.13 55.33 1xrm s LEU 131 Cb -0.04 1.30 0.03 0.00 -0.56 0.00 0.00 46.19 46.92 1xrm s LEU 131 CO 0.47 -0.36 0.89 -1.54 -1.06 0.00 0.00 176.35 174.74 1xrm n SER 132 N 1.70 1.80 -3.69 1.48 3.41 -1.26 -3.79 113.62 113.27 1xrm n SER 132 Ca -0.19 -1.40 -0.10 0.00 -0.26 0.00 0.00 58.87 56.91 1xrm n SER 132 Cb 0.56 0.34 -0.11 0.00 -0.26 0.00 0.00 64.21 64.75 1xrm n SER 132 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1xrm s SER 133 N -1.72 -0.40 -0.05 4.04 0.15 -1.26 -0.06 113.70 114.40 1xrm s SER 133 Ca 0.15 0.85 -0.24 0.00 0.70 0.00 0.00 55.95 57.41 1xrm s SER 133 Cb 0.13 0.82 -0.25 0.00 -1.71 0.00 0.00 66.02 65.01 1xrm s SER 133 CO 0.34 -0.20 1.00 0.58 1.20 0.00 0.00 173.24 176.17 1xrm h VAL 134 N 5.73 1.54 -0.84 4.45 2.07 -1.19 -2.75 116.25 125.25 1xrm h VAL 134 Ca -0.33 -2.08 0.14 0.00 0.82 0.00 0.00 66.70 65.25 1xrm h VAL 134 Cb 1.16 2.84 -0.09 0.00 -1.52 0.00 0.00 31.29 33.68 1xrm h VAL 134 CO 0.27 0.58 0.45 -0.65 0.02 0.00 0.00 177.57 178.23 1xrm h PRO 135 N -0.45 0.64 -0.02 1.57 0.11 -1.75 0.68 132.00 132.78 1xrm h PRO 135 Ca -0.05 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.04 1xrm h PRO 135 Cb 1.15 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 1xrm h PRO 135 CO 0.07 0.42 -0.06 1.25 -0.21 0.00 0.00 178.00 179.47 1xrm h LEU 136 N 0.66 -0.19 -0.83 2.35 5.85 -1.92 0.94 115.31 122.17 1xrm h LEU 136 Ca 0.45 0.03 0.07 0.00 0.84 0.00 0.00 57.88 59.28 1xrm h LEU 136 Cb 0.59 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.64 1xrm h LEU 136 CO -0.34 -0.09 0.50 0.74 -0.34 0.00 0.00 178.44 178.90 1xrm h THR 137 N -0.10 0.99 -0.28 1.05 2.02 -0.49 0.17 112.91 116.26 1xrm h THR 137 Ca 0.03 -0.30 -0.07 0.00 0.77 0.00 0.00 66.41 66.84 1xrm h THR 137 Cb 0.15 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 1xrm h THR 137 CO -0.08 0.16 -0.09 0.58 0.37 0.00 0.00 175.52 176.45 1xrm h VAL 138 N 0.88 1.29 -0.29 3.16 2.07 0.11 -0.10 116.25 123.36 1xrm h VAL 138 Ca 0.38 -1.15 0.04 0.00 0.82 0.00 0.00 66.70 66.79 1xrm h VAL 138 Cb 0.24 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1xrm h VAL 138 CO -0.20 0.36 0.20 0.50 0.02 0.00 0.00 177.57 178.45 1xrm h LYS 139 N 0.30 0.20 0.05 1.57 3.64 0.17 -1.84 116.57 120.67 1xrm h LYS 139 Ca 0.07 -0.01 -0.27 0.00 -1.27 0.00 0.00 60.65 59.17 1xrm h LYS 139 Cb 0.59 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 1xrm h LYS 139 CO 0.03 0.13 -1.37 0.93 -2.27 0.00 0.00 179.45 176.90 1xrm h GLU 140 N 0.21 0.10 -0.08 1.90 4.39 -0.64 -3.29 114.58 117.16 1xrm h GLU 140 Ca 0.12 -0.17 -0.17 0.00 0.34 0.00 0.00 59.36 59.49 1xrm h GLU 140 Cb 0.23 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1xrm h GLU 140 CO -0.02 0.92 -0.66 0.52 -1.16 0.00 0.00 179.01 178.61 1xrm h MET 141 N 0.03 0.34 -0.97 2.33 2.86 -0.55 -2.68 114.93 116.28 1xrm h MET 141 Ca -0.17 -0.25 0.02 0.00 -2.06 0.00 0.00 59.70 57.24 1xrm h MET 141 Cb 1.93 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 33.58 1xrm h MET 141 CO 0.13 0.88 0.64 -0.91 1.06 0.00 0.00 176.91 178.71 1xrm h ASN 142 N 0.24 1.09 -0.85 1.22 -0.26 -1.46 -0.40 115.58 115.15 1xrm h ASN 142 Ca -0.02 -0.02 -0.02 0.00 -0.56 0.00 0.00 56.30 55.68 1xrm h ASN 142 Cb 1.21 -0.26 -0.04 0.00 -1.06 0.00 0.00 38.32 38.17 1xrm h ASN 142 CO 0.11 0.76 0.45 -0.09 -1.06 0.00 0.00 177.43 177.61 1xrm h ARG 143 N 1.27 1.20 -0.52 0.81 2.43 -1.58 -1.27 114.38 116.72 1xrm h ARG 143 Ca 0.37 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 1xrm h ARG 143 Cb -0.07 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.22 1xrm h ARG 143 CO -0.10 0.89 0.28 -0.07 -1.51 0.00 0.00 179.97 179.46 1xrm h LEU 144 N 1.19 0.65 -1.17 3.80 3.38 -0.80 -0.72 115.31 121.65 1xrm h LEU 144 Ca 0.30 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1xrm h LEU 144 Cb 0.05 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1xrm h LEU 144 CO -0.05 0.56 0.32 0.40 0.09 0.00 0.00 178.44 179.76 1xrm h ILE 145 N 0.69 1.20 -0.20 1.22 2.04 -0.68 -1.56 117.51 120.22 1xrm h ILE 145 Ca 0.18 -0.56 -0.12 0.00 1.00 0.00 0.00 64.86 65.36 1xrm h ILE 145 Cb 0.05 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 1xrm h ILE 145 CO -0.03 0.24 -0.39 0.44 0.00 0.00 0.00 178.15 178.41 1xrm h ASP 146 N 0.90 0.48 0.97 1.72 3.32 -0.54 -2.36 116.42 120.91 1xrm h ASP 146 Ca 0.22 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1xrm h ASP 146 Cb 0.08 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1xrm h ASP 146 CO -0.03 0.82 0.00 -0.62 -1.72 0.00 0.00 179.24 177.69 1xrm n GLU 147 N -4.04 0.13 -2.19 3.56 1.02 -0.34 -4.79 120.64 114.00 1xrm n GLU 147 Ca -0.01 0.23 -0.38 0.00 -0.02 0.00 0.00 57.16 56.98 1xrm n GLU 147 Cb 0.49 -1.70 -0.00 0.00 -0.02 0.00 0.00 31.44 30.21 1xrm n GLU 147 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1xrm s LEU 148 N -3.88 4.03 -0.05 -4.62 1.02 -0.67 -4.90 118.68 109.62 1xrm s LEU 148 Ca 0.09 2.39 -0.33 0.00 0.02 0.00 0.00 54.13 56.29 1xrm s LEU 148 Cb 0.12 -4.19 -0.11 0.00 0.02 0.00 0.00 46.19 42.03 1xrm s LEU 148 CO 0.46 -0.95 1.88 -0.81 0.02 0.00 0.00 176.35 176.95 1xrm n PRO 149 N -0.42 2.30 -0.03 1.29 -0.04 -1.26 -4.51 135.00 132.32 1xrm n PRO 149 Ca 0.07 0.84 0.00 0.00 -0.04 0.00 0.00 63.50 64.37 1xrm n PRO 149 Cb 0.47 -2.70 0.01 0.00 -0.04 0.00 0.00 33.50 31.23 1xrm n PRO 149 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xrm n ALA 150 N 6.54 -0.00 -0.31 0.55 0.00 -1.26 -0.03 120.51 126.00 1xrm n ALA 150 Ca 0.22 0.09 0.02 0.00 0.00 0.00 0.00 53.44 53.77 1xrm n ALA 150 Cb 0.31 -0.04 0.08 0.00 0.00 0.00 0.00 19.45 19.80 1xrm n ALA 150 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1xrm n LYS 151 N -4.13 -0.14 0.04 0.00 4.81 -1.26 -0.29 118.16 117.19 1xrm n LYS 151 Ca 0.01 1.30 -0.04 0.00 -0.87 0.00 0.00 58.31 58.71 1xrm n LYS 151 Cb 0.04 -1.94 -0.09 0.00 0.02 0.00 0.00 35.03 33.05 1xrm n LYS 151 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1xrm h TYR 152 N 0.00 0.00 0.21 5.64 -1.99 -0.78 -3.30 116.97 116.75 1xrm h TYR 152 Ca 0.35 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 61.07 1xrm h TYR 152 Cb 0.56 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.29 1xrm h TYR 152 CO -0.69 0.81 -0.10 -0.09 -0.00 0.00 0.00 178.16 178.08 1xrm h ARG 153 N 0.00 -0.27 -0.55 4.88 2.43 -0.68 -1.85 114.38 118.34 1xrm h ARG 153 Ca -0.13 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.09 1xrm h ARG 153 Cb 1.73 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 31.31 1xrm h ARG 153 CO 0.08 -0.00 0.36 -0.44 -1.51 0.00 0.00 179.97 178.46 1xrm h ASP 154 N -0.53 0.55 0.09 -3.80 5.19 -0.81 -1.09 116.42 116.02 1xrm h ASP 154 Ca -0.03 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1xrm h ASP 154 Cb 0.39 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.78 1xrm h ASP 154 CO 0.05 0.38 -0.04 0.00 -3.12 0.00 0.00 179.24 176.51 1xrm h ALA 155 N 1.68 -0.12 -0.69 3.45 0.00 -1.61 0.45 119.26 122.42 1xrm h ALA 155 Ca 0.22 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1xrm h ALA 155 Cb 0.08 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1xrm h ALA 155 CO -0.06 -0.40 0.46 0.82 0.00 0.00 0.00 179.25 180.07 1xrm h ILE 156 N -0.45 1.14 0.02 0.00 2.04 -1.00 -1.55 117.51 117.70 1xrm h ILE 156 Ca -0.01 -0.30 -0.21 0.00 1.00 0.00 0.00 64.86 65.33 1xrm h ILE 156 Cb 0.38 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 1xrm h ILE 156 CO 0.02 0.16 -1.00 0.11 0.00 0.00 0.00 178.15 177.44 1xrm h LYS 157 N 0.88 0.05 0.18 2.37 1.57 -1.09 -2.49 116.57 118.04 1xrm h LYS 157 Ca 0.27 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1xrm h LYS 157 Cb -0.01 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1xrm h LYS 157 CO -0.07 1.00 -0.09 -0.22 -0.57 0.00 0.00 179.45 179.51 1xrm h LYS 158 N 0.02 -0.23 0.00 3.15 3.64 0.49 -3.23 116.57 120.40 1xrm h LYS 158 Ca -0.03 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1xrm h LYS 158 Cb 1.74 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.61 1xrm h LYS 158 CO 0.14 -0.16 0.00 0.66 -2.27 0.00 0.00 179.45 177.82 1xrm n TYR 159 N -3.86 0.76 -0.07 1.91 4.02 -0.64 -3.26 117.16 116.03 1xrm n TYR 159 Ca -0.03 0.26 -0.15 0.00 -0.01 0.00 0.00 57.90 57.97 1xrm n TYR 159 Cb 0.10 -0.92 -0.05 0.00 -0.02 0.00 0.00 39.34 38.45 1xrm n TYR 159 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1xrm h GLY 160 N 3.46 0.88 2.00 2.72 0.00 -1.57 0.63 103.07 111.20 1xrm h GLY 160 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 47.33 46.28 1xrm h GLY 160 CO 0.00 0.94 0.00 1.76 0.00 0.00 0.00 176.54 179.24 1xrm h SER 161 N 0.56 0.00 -0.63 0.19 0.02 -1.57 -2.82 113.55 109.30 1xrm h SER 161 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1xrm h SER 161 Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1xrm h SER 161 CO 0.12 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.27 1xrm n SER 162 N -3.00 3.81 -2.03 3.07 3.41 -1.16 -4.94 113.62 112.78 1xrm n SER 162 Ca 0.02 -2.00 -0.14 0.00 -0.26 0.00 0.00 58.87 56.49 1xrm n SER 162 Cb 0.38 -0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 63.89 1xrm n SER 162 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xrm n GLY 163 N 1.60 0.23 2.64 5.00 0.00 -0.92 -4.85 105.19 108.88 1xrm n GLY 163 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 1xrm n GLY 163 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xrm n SER 164 N -1.35 7.12 0.12 1.61 7.64 0.17 -4.70 113.62 124.23 1xrm n SER 164 Ca -0.16 -3.25 0.12 0.00 1.01 0.00 0.00 58.87 56.60 1xrm n SER 164 Cb 0.56 -1.35 0.47 0.00 -1.01 0.00 0.00 64.21 62.88 1xrm n SER 164 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1xrm n TYR 165 N 1.89 0.85 0.21 1.43 4.02 -1.26 -2.79 117.16 121.51 1xrm n TYR 165 Ca 0.52 0.30 0.10 0.00 -0.01 0.00 0.00 57.90 58.81 1xrm n TYR 165 Cb 0.28 -0.99 0.21 0.00 -0.02 0.00 0.00 39.34 38.82 1xrm n TYR 165 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 176.86 176.90 1xrm h GLU 166 N 0.00 0.00 -6.74 -0.72 9.09 -1.96 -3.42 114.58 110.83 1xrm h GLU 166 Ca 0.00 0.00 -0.56 0.00 0.05 0.00 0.00 59.36 58.85 1xrm h GLU 166 Cb 0.48 0.00 0.10 0.00 -1.65 0.00 0.00 28.75 27.67 1xrm h GLU 166 CO 0.00 0.12 0.66 -1.71 0.05 0.00 0.00 179.01 178.14 1xrm n ASN 167 N -3.14 3.17 0.07 3.06 5.15 -1.12 -4.89 115.26 117.55 1xrm n ASN 167 Ca 0.03 1.18 0.00 0.00 -0.60 0.00 0.00 54.58 55.19 1xrm n ASN 167 Cb 0.54 -1.51 0.32 0.00 -0.53 0.00 0.00 39.78 38.60 1xrm n ASN 167 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1xrm h PRO 168 N 3.63 0.36 -0.53 1.20 0.13 -1.91 -1.61 132.00 133.26 1xrm h PRO 168 Ca -0.47 -0.09 -0.10 0.00 -0.87 0.00 0.00 66.00 64.47 1xrm h PRO 168 Cb 1.26 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1xrm h PRO 168 CO 0.71 0.49 -0.05 1.49 -0.23 0.00 0.00 178.00 180.41 1xrm h GLU 169 N 0.34 0.97 -0.48 0.86 4.81 -1.97 -0.94 114.58 118.16 1xrm h GLU 169 Ca 0.07 -0.34 -0.08 0.00 -0.13 0.00 0.00 59.36 58.88 1xrm h GLU 169 Cb 0.44 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1xrm h GLU 169 CO 0.03 1.00 -0.02 -0.92 -0.73 0.00 0.00 179.01 178.37 1xrm h TYR 170 N 0.84 0.87 0.30 0.92 3.20 -1.81 -3.03 116.97 118.27 1xrm h TYR 170 Ca 0.14 -0.13 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1xrm h TYR 170 Cb 0.60 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 1xrm h TYR 170 CO 0.04 0.81 -0.19 1.96 -1.64 0.00 0.00 178.16 179.15 1xrm h GLN 171 N 0.76 -0.46 -0.91 1.82 1.08 -0.76 -1.60 115.11 115.04 1xrm h GLN 171 Ca 0.14 0.03 0.17 0.00 -1.45 0.00 0.00 58.65 57.55 1xrm h GLN 171 Cb 0.48 0.10 -0.10 0.00 -0.05 0.00 0.00 27.48 27.91 1xrm h GLN 171 CO 0.02 -0.30 0.50 1.49 -0.95 0.00 0.00 178.83 179.59 1xrm h GLU 172 N -0.47 0.63 -0.04 1.46 4.81 -1.08 0.33 114.58 120.22 1xrm h GLU 172 Ca -0.03 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1xrm h GLU 172 Cb 0.39 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 1xrm h GLU 172 CO 0.03 0.42 0.01 0.00 -0.73 0.00 0.00 179.01 178.74 1xrm h ALA 173 N 1.61 0.05 -0.28 2.92 0.00 -1.37 0.64 119.26 122.83 1xrm h ALA 173 Ca 0.52 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.34 1xrm h ALA 173 Cb 0.80 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1xrm h ALA 173 CO -0.39 -0.35 0.19 0.28 0.00 0.00 0.00 179.25 178.98 1xrm h VAL 174 N -0.13 1.04 0.04 0.00 2.07 -0.15 0.11 116.25 119.24 1xrm h VAL 174 Ca 0.01 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1xrm h VAL 174 Cb 0.21 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1xrm h VAL 174 CO -0.00 0.06 -0.02 -1.13 0.02 0.00 0.00 177.57 176.50 1xrm h ASN 175 N 0.33 -0.05 0.32 0.57 -0.73 0.01 -2.10 115.58 113.94 1xrm h ASN 175 Ca 0.11 -0.52 0.00 0.00 1.87 0.00 0.00 56.30 57.76 1xrm h ASN 175 Cb 0.03 0.01 -0.03 0.00 0.27 0.00 0.00 38.32 38.60 1xrm h ASN 175 CO -0.02 0.52 -0.44 0.22 -0.37 0.00 0.00 177.43 177.34 1xrm h TYR 176 N -0.64 -1.21 -0.73 0.67 3.20 -0.30 -0.68 116.97 117.28 1xrm h TYR 176 Ca -0.01 0.02 0.16 0.00 3.14 0.00 0.00 58.73 62.04 1xrm h TYR 176 Cb 0.57 0.49 -0.12 0.00 1.54 0.00 0.00 36.73 39.21 1xrm h TYR 176 CO 0.12 -0.57 0.12 0.35 -1.64 0.00 0.00 178.16 176.54 1xrm h PHE 177 N -0.81 0.17 -0.36 -3.82 3.04 -0.88 -0.33 116.94 113.95 1xrm h PHE 177 Ca -0.02 0.05 0.01 0.00 3.98 0.00 0.00 57.97 61.98 1xrm h PHE 177 Cb 0.75 0.04 -0.02 0.00 2.56 0.00 0.00 35.95 39.28 1xrm h PHE 177 CO -0.28 -0.14 0.23 1.88 -2.02 0.00 0.00 178.31 177.97 1xrm h TYR 178 N 0.21 0.43 0.00 0.41 -1.99 -0.76 0.18 116.97 115.45 1xrm h TYR 178 Ca 0.41 0.01 0.00 0.00 2.00 0.00 0.00 58.73 61.15 1xrm h TYR 178 Cb 0.72 -0.14 0.00 0.00 2.00 0.00 0.00 36.73 39.31 1xrm h TYR 178 CO -0.31 0.27 0.00 0.72 -0.00 0.00 0.00 178.16 178.84 1xrm n HIS 179 N -4.85 0.00 -0.02 4.88 8.25 -0.23 -0.05 115.22 123.20 1xrm n HIS 179 Ca -0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 1xrm n HIS 179 Cb 0.03 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.12 1xrm n HIS 179 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1xrm n GLN 180 N -0.78 1.86 0.00 -0.41 -0.06 -0.30 -4.23 117.38 113.46 1xrm n GLN 180 Ca 0.08 0.01 0.00 0.00 -2.00 0.00 0.00 57.00 55.09 1xrm n GLN 180 Cb 0.04 -1.07 0.00 0.00 -4.06 0.00 0.00 30.24 25.15 1xrm n GLN 180 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 1xrm n HIS 181 N -2.35 0.00 -0.11 3.69 8.25 0.50 -4.78 115.22 120.42 1xrm n HIS 181 Ca -0.05 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.22 1xrm n HIS 181 Cb 0.58 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.63 1xrm n HIS 181 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1xrm n LEU 182 N -0.58 1.92 -3.37 2.41 7.94 0.93 -1.94 117.00 124.31 1xrm n LEU 182 Ca 0.00 0.33 -0.12 0.00 -1.11 0.00 0.00 56.01 55.11 1xrm n LEU 182 Cb 0.01 -0.76 -0.09 0.00 0.53 0.00 0.00 43.42 43.11 1xrm n LEU 182 CO 0.00 0.13 -0.10 -0.22 -1.11 0.00 0.00 177.39 176.09 1xrm s LEU 183 N -7.69 -0.52 -1.09 -1.96 0.20 -0.53 -0.87 118.68 106.22 1xrm s LEU 183 Ca -0.33 -0.15 -0.20 0.00 0.69 0.00 0.00 54.13 54.14 1xrm s LEU 183 Cb 0.09 0.90 0.08 0.00 -0.43 0.00 0.00 46.19 46.84 1xrm s LEU 183 CO 0.45 -0.33 1.45 -0.13 -0.29 0.00 0.00 176.35 177.50 1xrm s ARG 184 N 2.48 3.74 -0.19 1.98 0.52 -1.26 -4.31 118.95 121.92 1xrm s ARG 184 Ca 0.11 -1.62 -0.31 0.00 -0.52 0.00 0.00 55.73 53.39 1xrm s ARG 184 Cb -0.15 -5.28 0.15 0.00 0.52 0.00 0.00 34.95 30.19 1xrm s ARG 184 CO -0.22 -2.09 1.15 -1.54 0.02 0.00 0.00 175.30 172.63 1xrm s SER 185 N 4.30 -0.21 -0.04 0.23 1.04 -1.26 -4.98 113.70 112.77 1xrm s SER 185 Ca 0.45 0.16 -0.20 0.00 0.48 0.00 0.00 55.95 56.84 1xrm s SER 185 Cb -0.00 0.19 -0.14 0.00 0.10 0.00 0.00 66.02 66.16 1xrm s SER 185 CO -0.04 -0.24 0.87 -0.33 0.98 0.00 0.00 173.24 174.47 1xrm h GLU 186 N 2.23 -0.31 -4.44 4.02 4.39 -1.97 -3.41 114.58 115.09 1xrm h GLU 186 Ca -0.13 0.02 -0.74 0.00 0.34 0.00 0.00 59.36 58.85 1xrm h GLU 186 Cb 1.18 0.07 -0.22 0.00 -0.10 0.00 0.00 28.75 29.68 1xrm h GLU 186 CO 0.26 0.05 0.40 0.34 -1.16 0.00 0.00 179.01 178.90 1xrm s ASP 187 N -5.29 6.63 0.22 1.42 2.15 -1.26 -5.04 116.67 115.50 1xrm s ASP 187 Ca -0.12 -2.25 -0.31 0.00 0.43 0.00 0.00 52.55 50.31 1xrm s ASP 187 Cb 0.01 -2.30 -0.10 0.00 -0.30 0.00 0.00 42.92 40.23 1xrm s ASP 187 CO 0.43 -0.85 1.49 0.26 -0.17 0.00 0.00 175.17 176.34 1xrm s TRP 188 N 1.55 3.01 0.69 -5.34 0.52 -1.26 -4.96 118.94 113.14 1xrm s TRP 188 Ca 0.23 0.87 -0.16 0.00 0.02 0.00 0.00 56.10 57.07 1xrm s TRP 188 Cb -0.10 -3.88 0.01 0.00 -1.15 0.00 0.00 33.47 28.36 1xrm s TRP 188 CO -0.07 -2.99 1.18 -1.25 0.02 0.00 0.00 176.95 173.84 1xrm s PRO 189 N 0.13 2.47 0.13 4.98 0.04 -1.26 -4.84 135.00 136.65 1xrm s PRO 189 Ca 0.63 1.67 -0.25 0.00 0.04 0.00 0.00 61.00 63.10 1xrm s PRO 189 Cb -0.43 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.21 1xrm s PRO 189 CO 0.40 -1.56 1.63 -1.35 0.04 0.00 0.00 177.00 176.15 1xrm h PRO 190 N 0.01 -0.34 -1.05 0.56 0.11 -1.99 -1.97 132.00 127.33 1xrm h PRO 190 Ca -0.48 0.02 0.34 0.00 0.11 0.00 0.00 66.00 66.00 1xrm h PRO 190 Cb 1.28 0.08 -0.14 0.00 0.11 0.00 0.00 31.00 32.32 1xrm h PRO 190 CO 0.52 -0.22 0.62 0.93 -0.21 0.00 0.00 178.00 179.63 1xrm h GLU 191 N -0.35 0.26 -0.13 1.05 3.07 -1.92 0.60 114.58 117.16 1xrm h GLU 191 Ca 0.09 -0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 58.86 1xrm h GLU 191 Cb 0.49 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.34 1xrm h GLU 191 CO -0.31 0.17 -0.22 0.28 -1.40 0.00 0.00 179.01 177.54 1xrm h VAL 192 N 0.27 1.37 -0.03 3.13 2.07 -1.64 -2.56 116.25 118.85 1xrm h VAL 192 Ca 0.75 -1.46 -0.07 0.00 0.82 0.00 0.00 66.70 66.73 1xrm h VAL 192 Cb 1.85 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 33.62 1xrm h VAL 192 CO -0.57 0.43 -0.30 -0.07 0.02 0.00 0.00 177.57 177.08 1xrm h LEU 193 N -0.03 0.06 -0.34 2.57 3.38 0.57 -1.91 115.31 119.60 1xrm h LEU 193 Ca 0.01 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1xrm h LEU 193 Cb 0.79 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1xrm h LEU 193 CO 0.05 0.36 -0.15 0.50 0.09 0.00 0.00 178.44 179.29 1xrm h LYS 194 N 0.05 0.70 -0.26 1.13 1.63 -0.32 0.99 116.57 120.48 1xrm h LYS 194 Ca 0.01 -0.30 -0.10 0.00 -0.85 0.00 0.00 60.65 59.41 1xrm h LYS 194 Cb 0.56 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.15 1xrm h LYS 194 CO 0.04 0.89 -0.27 0.77 -3.45 0.00 0.00 179.45 177.43 1xrm h SER 195 N 0.47 0.52 -0.21 4.20 0.02 -1.08 -0.15 113.55 117.31 1xrm h SER 195 Ca 0.08 -0.18 -0.20 0.00 -0.84 0.00 0.00 61.79 60.65 1xrm h SER 195 Cb 0.68 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1xrm h SER 195 CO 0.05 0.78 -0.63 -0.07 -1.14 0.00 0.00 176.83 175.82 1xrm h LEU 196 N 0.45 0.93 -0.36 5.07 3.38 -1.23 -2.37 115.31 121.18 1xrm h LEU 196 Ca 0.06 -0.54 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 1xrm h LEU 196 Cb 0.71 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1xrm h LEU 196 CO 0.05 1.33 0.13 -0.08 0.09 0.00 0.00 178.44 179.97 1xrm h GLU 197 N 0.61 0.54 -0.38 1.13 4.81 -0.51 -2.73 114.58 118.05 1xrm h GLU 197 Ca -0.01 -0.11 0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1xrm h GLU 197 Cb 1.24 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.49 1xrm h GLU 197 CO 0.13 0.54 0.11 1.88 -0.73 0.00 0.00 179.01 180.94 1xrm h TYR 198 N 0.43 0.19 0.00 0.92 0.05 -0.98 -1.63 116.97 115.95 1xrm h TYR 198 Ca 0.12 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.91 1xrm h TYR 198 Cb 0.21 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 37.92 1xrm h TYR 198 CO 0.00 0.06 -0.03 0.00 -1.05 0.00 0.00 178.16 177.14 1xrm h ALA 199 N 1.26 1.14 -0.01 3.88 0.00 -1.30 -0.39 119.26 123.84 1xrm h ALA 199 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xrm h ALA 199 Cb 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1xrm h ALA 199 CO -0.21 0.03 -0.35 -1.91 0.00 0.00 0.00 179.25 176.81 1xrm n GLU 200 N -3.31 0.87 -0.01 0.00 2.13 -0.66 -4.07 120.64 115.59 1xrm n GLU 200 Ca -0.02 -0.59 0.02 0.00 0.66 0.00 0.00 57.16 57.23 1xrm n GLU 200 Cb 0.15 -1.49 -0.07 0.00 0.27 0.00 0.00 31.44 30.31 1xrm n GLU 200 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1xrm n ARG 201 N -0.55 0.93 -0.77 5.31 1.74 -0.35 -5.02 116.66 117.95 1xrm n ARG 201 Ca 0.11 -0.06 -0.01 0.00 -0.77 0.00 0.00 57.85 57.12 1xrm n ARG 201 Cb 0.38 -1.21 0.01 0.00 -1.02 0.00 0.00 32.46 30.62 1xrm n ARG 201 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1xrm n ARG 202 N -1.94 0.63 -0.09 5.56 5.12 -0.30 -5.07 116.66 120.57 1xrm n ARG 202 Ca -0.05 -0.15 -0.11 0.00 -1.93 0.00 0.00 57.85 55.61 1xrm n ARG 202 Cb 0.38 -0.03 -0.09 0.00 -1.16 0.00 0.00 32.46 31.55 1xrm n ARG 202 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1xrm n ASN 203 N -2.99 2.25 -0.36 0.55 3.02 -1.26 -4.69 115.26 111.77 1xrm n ASN 203 Ca 0.01 -0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 1xrm n ASN 203 Cb 0.03 0.06 0.06 0.00 -0.61 0.00 0.00 39.78 39.32 1xrm n ASN 203 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1xrm n VAL 204 N -2.88 -0.47 0.07 2.41 0.31 -1.26 -1.45 118.33 115.05 1xrm n VAL 204 Ca -0.30 2.19 -0.12 0.00 -0.01 0.00 0.00 64.34 66.10 1xrm n VAL 204 Cb 0.88 -2.92 -0.06 0.00 -0.91 0.00 0.00 33.84 30.83 1xrm n VAL 204 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1xrm h TYR 205 N 0.00 -0.97 -0.70 3.52 3.20 -1.75 0.46 116.97 120.73 1xrm h TYR 205 Ca 0.35 0.03 0.08 0.00 3.14 0.00 0.00 58.73 62.33 1xrm h TYR 205 Cb 0.59 0.42 -0.04 0.00 1.54 0.00 0.00 36.73 39.24 1xrm h TYR 205 CO -0.80 -0.44 0.46 -0.09 -1.64 0.00 0.00 178.16 175.65 1xrm h ARG 206 N -0.52 0.63 0.11 1.82 2.43 -1.45 0.11 114.38 117.52 1xrm h ARG 206 Ca 0.05 -0.04 -0.34 0.00 -0.81 0.00 0.00 59.98 58.84 1xrm h ARG 206 Cb 0.59 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1xrm h ARG 206 CO -0.27 0.42 -1.86 0.82 -1.51 0.00 0.00 179.97 177.56 1xrm h ILE 207 N 0.65 0.76 0.05 1.20 2.04 -0.75 -3.37 117.51 118.09 1xrm h ILE 207 Ca 0.31 -2.48 -0.35 0.00 1.00 0.00 0.00 64.86 63.34 1xrm h ILE 207 Cb 0.37 2.55 -0.04 0.00 -0.74 0.00 0.00 36.82 38.96 1xrm h ILE 207 CO -0.10 0.81 -2.09 0.23 0.00 0.00 0.00 178.15 177.00 1xrm n MET 208 N -3.41 0.70 0.00 2.37 2.81 0.16 -1.95 117.12 117.79 1xrm n MET 208 Ca -0.27 0.21 0.00 0.00 -1.81 0.00 0.00 57.70 55.83 1xrm n MET 208 Cb 1.05 -1.66 0.00 0.00 -0.71 0.00 0.00 33.22 31.90 1xrm n MET 208 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1xrm n ASN 209 N -3.23 0.00 0.00 7.83 2.85 0.27 -2.52 115.26 120.46 1xrm n ASN 209 Ca -0.32 0.01 0.00 0.00 -0.11 0.00 0.00 54.58 54.17 1xrm n ASN 209 Cb 1.05 -0.15 0.00 0.00 1.24 0.00 0.00 39.78 41.92 1xrm n ASN 209 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1xrm n GLY 210 N 2.21 0.00 0.47 8.20 0.00 -0.48 0.17 105.19 115.76 1xrm n GLY 210 Ca 0.00 -1.44 -0.17 0.00 0.00 0.00 0.00 46.02 44.41 1xrm n GLY 210 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1xrm h PRO 211 N 0.58 -0.85 0.00 1.61 0.11 -1.87 -3.39 132.00 128.20 1xrm h PRO 211 Ca 0.00 0.06 -0.28 0.00 0.11 0.00 0.00 66.00 65.89 1xrm h PRO 211 Cb 0.00 0.19 -0.07 0.00 0.11 0.00 0.00 31.00 31.23 1xrm h PRO 211 CO 0.00 -0.57 -0.27 0.27 -0.21 0.00 0.00 178.00 177.23 1xrm n ASN 212 N -5.53 -0.43 -0.34 -2.05 0.23 -1.26 -5.01 115.26 100.88 1xrm n ASN 212 Ca -0.10 -2.28 0.21 0.00 -0.53 0.00 0.00 54.58 51.88 1xrm n ASN 212 Cb 0.43 0.99 0.44 0.00 -2.08 0.00 0.00 39.78 39.57 1xrm n ASN 212 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1xrm h GLN 213 N 0.00 0.43 -0.08 -3.83 7.50 -1.98 -2.03 115.11 115.12 1xrm h GLN 213 Ca -0.14 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 58.99 1xrm h GLN 213 Cb 0.70 -0.10 0.00 0.00 0.05 0.00 0.00 27.48 28.13 1xrm h GLN 213 CO 0.20 0.28 0.00 1.97 -1.50 0.00 0.00 178.83 179.78 1xrm n PHE 214 N -4.93 0.08 -3.31 2.96 1.16 -1.26 -4.72 117.46 107.45 1xrm n PHE 214 Ca 0.29 -0.07 -0.38 0.00 -1.87 0.00 0.00 57.45 55.43 1xrm n PHE 214 Cb 0.88 -0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.72 1xrm n PHE 214 CO 0.00 0.00 0.00 2.41 -1.87 0.00 0.00 176.76 177.30 1xrm n THR 215 N 0.82 4.01 -2.87 1.97 -1.04 -0.76 -4.95 114.28 111.45 1xrm n THR 215 Ca 0.09 -5.50 -0.44 0.00 -2.04 0.00 0.00 64.05 56.17 1xrm n THR 215 Cb 0.38 -2.23 -0.01 0.00 -1.82 0.00 0.00 70.33 66.65 1xrm n THR 215 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1xrm s ILE 216 N -2.16 4.78 -0.71 12.58 1.01 -1.26 -3.36 121.20 132.08 1xrm s ILE 216 Ca 0.32 -2.23 0.08 0.00 0.00 0.00 0.00 60.65 58.82 1xrm s ILE 216 Cb 0.02 -4.94 0.24 0.00 0.01 0.00 0.00 42.46 37.79 1xrm s ILE 216 CO -0.01 -1.68 1.20 0.35 0.00 0.00 0.00 174.94 174.80 1xrm n THR 217 N 5.17 1.01 -0.77 2.92 -2.24 -0.74 -4.56 114.28 115.08 1xrm n THR 217 Ca 0.36 -1.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1xrm n THR 217 Cb 0.45 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 1xrm n THR 217 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xrm n GLY 218 N 0.28 -1.62 0.00 3.38 0.00 0.44 -4.84 105.19 102.83 1xrm n GLY 218 Ca 0.09 -1.58 0.03 0.00 0.00 0.00 0.00 46.02 44.56 1xrm n GLY 218 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xrm n THR 219 N -2.11 0.18 0.00 2.61 -2.24 -0.82 -2.01 114.28 109.88 1xrm n THR 219 Ca 0.00 0.04 0.03 0.00 -2.27 0.00 0.00 64.05 61.85 1xrm n THR 219 Cb 0.00 -0.94 0.06 0.00 -2.10 0.00 0.00 70.33 67.35 1xrm n THR 219 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1xrm n ILE 220 N -1.06 0.72 0.06 2.28 -5.35 -1.09 -4.70 119.36 110.23 1xrm n ILE 220 Ca 0.05 -0.86 0.21 0.00 -0.27 0.00 0.00 62.75 61.88 1xrm n ILE 220 Cb 0.03 0.67 0.67 0.00 -1.74 0.00 0.00 39.64 39.27 1xrm n ILE 220 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 1xrm h LYS 221 N 0.97 0.00 -0.17 6.28 2.10 -1.65 -0.64 116.57 123.46 1xrm h LYS 221 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1xrm h LYS 221 Cb 0.50 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 1xrm h LYS 221 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 1xrm n ASP 222 N -3.49 2.39 -4.75 7.07 10.43 -1.26 -3.81 116.55 123.13 1xrm n ASP 222 Ca 0.09 -1.93 -0.41 0.00 2.57 0.00 0.00 54.79 55.11 1xrm n ASP 222 Cb 0.79 -0.11 -0.02 0.00 1.84 0.00 0.00 41.12 43.62 1xrm n ASP 222 CO 0.00 0.00 0.00 0.86 -1.07 0.00 0.00 177.20 176.99 1xrm s TRP 223 N -0.95 2.94 -0.30 1.24 -0.00 -0.25 -4.87 118.94 116.75 1xrm s TRP 223 Ca 0.12 1.00 -0.05 0.00 -0.00 0.00 0.00 56.10 57.17 1xrm s TRP 223 Cb 0.06 -3.88 0.19 0.00 -0.00 0.00 0.00 33.47 29.84 1xrm s TRP 223 CO 0.08 -2.84 0.81 0.34 -0.00 0.00 0.00 176.95 175.34 1xrm s ASP 224 N 0.31 -1.01 -0.26 5.86 3.68 -1.26 -0.70 116.67 123.30 1xrm s ASP 224 Ca 0.59 0.38 0.10 0.00 2.13 0.00 0.00 52.55 55.75 1xrm s ASP 224 Cb -0.43 1.74 0.48 0.00 -1.45 0.00 0.00 42.92 43.26 1xrm s ASP 224 CO 0.46 -0.19 1.39 2.30 0.13 0.00 0.00 175.17 179.26 1xrm n ILE 225 N 5.37 2.43 -0.29 4.11 -5.35 0.91 -4.74 119.36 121.82 1xrm n ILE 225 Ca 0.01 -2.85 -0.01 0.00 -0.27 0.00 0.00 62.75 59.63 1xrm n ILE 225 Cb 0.54 -0.29 0.12 0.00 -1.74 0.00 0.00 39.64 38.26 1xrm n ILE 225 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1xrm h THR 226 N 1.00 1.06 0.00 7.28 2.02 -1.95 -1.21 112.91 121.12 1xrm h THR 226 Ca 0.15 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1xrm h THR 226 Cb 1.45 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1xrm h THR 226 CO 0.27 0.17 0.00 -0.90 0.37 0.00 0.00 175.52 175.43 1xrm n ASP 227 N -4.64 0.99 0.00 4.18 5.75 -1.26 -3.43 116.55 118.14 1xrm n ASP 227 Ca 0.11 -1.66 0.00 0.00 -0.01 0.00 0.00 54.79 53.23 1xrm n ASP 227 Cb 0.14 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 39.82 1xrm n ASP 227 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1xrm n LYS 228 N 0.13 0.70 0.24 0.11 5.02 -0.50 -4.84 118.16 119.03 1xrm n LYS 228 Ca 0.00 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.43 1xrm n LYS 228 Cb 0.23 -0.62 0.75 0.00 -0.02 0.00 0.00 35.03 35.37 1xrm n LYS 228 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 1xrm h ILE 229 N 0.00 0.00 -0.02 -0.18 3.07 -1.46 -1.57 117.51 117.35 1xrm h ILE 229 Ca 0.00 0.00 0.01 0.00 1.55 0.00 0.00 64.86 66.42 1xrm h ILE 229 Cb 0.23 0.61 -0.00 0.00 -0.27 0.00 0.00 36.82 37.39 1xrm h ILE 229 CO 0.00 0.00 0.04 0.28 -1.05 0.00 0.00 178.15 177.42 1xrm h SER 230 N 0.00 0.00 0.74 2.16 0.02 -1.81 -0.52 113.55 114.13 1xrm h SER 230 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xrm h SER 230 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1xrm h SER 230 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 1xrm h ALA 231 N 1.94 1.00 -2.02 3.77 0.00 -1.62 -3.43 119.26 118.89 1xrm h ALA 231 Ca 0.01 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.35 1xrm h ALA 231 Cb 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1xrm h ALA 231 CO -0.00 0.00 1.07 0.42 0.00 0.00 0.00 179.25 180.74 1xrm s ILE 232 N -3.49 3.86 -0.27 0.00 1.01 -0.20 -4.84 121.20 117.26 1xrm s ILE 232 Ca 0.02 0.98 0.14 0.00 0.00 0.00 0.00 60.65 61.79 1xrm s ILE 232 Cb 0.09 -3.86 -0.20 0.00 0.01 0.00 0.00 42.46 38.51 1xrm s ILE 232 CO 0.43 -0.34 0.43 0.29 0.00 0.00 0.00 174.94 175.75 1xrm n LYS 233 N 7.49 1.19 -1.15 2.79 4.01 -1.26 -4.26 118.16 126.96 1xrm n LYS 233 Ca 0.17 -0.08 -0.31 0.00 -0.51 0.00 0.00 58.31 57.58 1xrm n LYS 233 Cb 0.46 -1.27 0.11 0.00 -0.51 0.00 0.00 35.03 33.81 1xrm n LYS 233 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 1xrm s ILE 234 N -2.74 3.08 0.11 -0.18 -4.36 -1.26 -4.92 121.20 110.92 1xrm s ILE 234 Ca -0.01 0.35 -0.32 0.00 -0.26 0.00 0.00 60.65 60.40 1xrm s ILE 234 Cb 0.10 -2.74 -0.12 0.00 1.25 0.00 0.00 42.46 40.95 1xrm s ILE 234 CO 0.60 -0.46 1.77 -2.65 0.24 0.00 0.00 174.94 174.44 1xrm n PRO 235 N -3.66 2.53 -4.83 0.37 -0.02 -1.26 -4.79 135.00 123.33 1xrm n PRO 235 Ca 0.10 0.92 -0.27 0.00 -2.02 0.00 0.00 63.50 62.23 1xrm n PRO 235 Cb 0.53 -2.77 -0.16 0.00 -0.02 0.00 0.00 33.50 31.08 1xrm n PRO 235 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1xrm s THR 236 N 2.33 1.46 -0.28 3.45 2.01 -1.26 0.04 115.64 123.39 1xrm s THR 236 Ca 0.82 -0.70 -0.02 0.00 0.31 0.00 0.00 61.69 62.10 1xrm s THR 236 Cb -0.57 -1.28 0.04 0.00 0.01 0.00 0.00 72.50 70.70 1xrm s THR 236 CO 0.39 0.42 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.51 1xrm s LEU 237 N 0.31 3.63 -0.24 4.42 2.96 0.83 -0.57 118.68 130.02 1xrm s LEU 237 Ca -0.10 -1.08 -0.06 0.00 -0.22 0.00 0.00 54.13 52.67 1xrm s LEU 237 Cb -0.14 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 44.82 1xrm s LEU 237 CO 0.04 -0.21 0.02 -0.63 -1.32 0.00 0.00 176.35 174.26 1xrm s ILE 238 N 1.30 3.90 0.26 6.68 1.01 0.56 -0.67 121.20 134.24 1xrm s ILE 238 Ca -0.03 -0.34 0.10 0.00 0.00 0.00 0.00 60.65 60.38 1xrm s ILE 238 Cb -0.18 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 1xrm s ILE 238 CO -0.02 0.36 -0.02 0.42 0.00 0.00 0.00 174.94 175.67 1xrm s THR 239 N 1.55 3.36 -0.17 2.92 -4.23 -0.40 -0.95 115.64 117.73 1xrm s THR 239 Ca 0.06 -1.95 -0.29 0.00 -1.18 0.00 0.00 61.69 58.34 1xrm s THR 239 Cb -0.15 -2.79 0.10 0.00 1.34 0.00 0.00 72.50 71.00 1xrm s THR 239 CO 0.01 -0.37 0.87 0.54 -0.54 0.00 0.00 174.62 175.12 1xrm s VAL 240 N -2.32 0.00 0.22 2.29 0.11 -0.76 -1.12 120.40 118.81 1xrm s VAL 240 Ca 0.31 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 59.22 1xrm s VAL 240 Cb -0.06 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.71 1xrm s VAL 240 CO 0.19 0.00 0.61 -0.83 -3.33 0.00 0.00 175.10 171.75 1xrm s GLY 241 N -0.63 2.40 0.23 6.54 0.00 -1.17 0.67 107.32 115.37 1xrm s GLY 241 Ca -0.03 -0.10 -0.06 0.00 0.00 0.00 0.00 44.72 44.53 1xrm s GLY 241 CO 0.02 0.14 1.70 -2.09 0.00 0.00 0.00 173.10 172.87 1xrm h GLU 242 N 2.97 0.28 -0.70 2.90 4.81 0.78 -0.73 114.58 124.90 1xrm h GLU 242 Ca -0.48 -0.02 -0.38 0.00 -0.13 0.00 0.00 59.36 58.36 1xrm h GLU 242 Cb 1.18 -0.06 -0.22 0.00 0.63 0.00 0.00 28.75 30.28 1xrm h GLU 242 CO 0.67 0.19 0.29 0.66 -0.73 0.00 0.00 179.01 180.08 1xrm n TYR 243 N -5.13 2.17 -1.95 0.92 4.01 -0.18 -4.81 117.16 112.19 1xrm n TYR 243 Ca 0.13 -1.82 -0.42 0.00 -0.16 0.00 0.00 57.90 55.63 1xrm n TYR 243 Cb 0.41 -0.76 -0.02 0.00 -0.31 0.00 0.00 39.34 38.67 1xrm n TYR 243 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1xrm s ASP 244 N -1.96 6.59 0.60 7.72 3.68 -0.28 -4.10 116.67 128.91 1xrm s ASP 244 Ca 0.52 2.69 0.31 0.00 2.13 0.00 0.00 52.55 58.19 1xrm s ASP 244 Cb 0.45 -2.62 1.85 0.00 -1.45 0.00 0.00 42.92 41.15 1xrm s ASP 244 CO 0.05 -0.77 2.25 1.05 0.13 0.00 0.00 175.17 177.87 1xrm h GLU 245 N 5.57 0.00 -2.73 4.34 4.11 -1.70 -2.03 114.58 122.14 1xrm h GLU 245 Ca -0.45 0.00 -0.73 0.00 0.07 0.00 0.00 59.36 58.25 1xrm h GLU 245 Cb 1.21 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 30.13 1xrm h GLU 245 CO 0.82 0.00 0.24 0.28 0.07 0.00 0.00 179.01 180.43 1xrm n VAL 246 N -3.79 4.14 -0.52 -1.06 0.31 -1.26 -4.58 118.33 111.57 1xrm n VAL 246 Ca -0.02 -5.62 -0.17 0.00 -0.01 0.00 0.00 64.34 58.52 1xrm n VAL 246 Cb 0.11 -2.13 -0.00 0.00 -0.91 0.00 0.00 33.84 30.91 1xrm n VAL 246 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1xrm n THR 247 N 1.28 0.22 0.34 2.52 -2.24 -0.77 -4.62 114.28 111.01 1xrm n THR 247 Ca 0.27 -0.20 0.22 0.00 -2.27 0.00 0.00 64.05 62.06 1xrm n THR 247 Cb 0.36 0.00 1.16 0.00 -2.10 0.00 0.00 70.33 69.76 1xrm n THR 247 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1xrm h PRO 248 N 0.11 0.00 -0.03 -0.78 0.13 -1.84 0.20 132.00 129.79 1xrm h PRO 248 Ca -0.15 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.88 1xrm h PRO 248 Cb 0.58 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 1xrm h PRO 248 CO 0.19 0.00 -0.43 -0.97 -0.23 0.00 0.00 178.00 176.55 1xrm h ASN 249 N 0.00 0.06 0.89 1.44 -0.73 -1.97 0.20 115.58 115.47 1xrm h ASN 249 Ca 0.00 -0.02 -0.14 0.00 1.87 0.00 0.00 56.30 58.00 1xrm h ASN 249 Cb 0.10 -0.02 -0.02 0.00 0.27 0.00 0.00 38.32 38.66 1xrm h ASN 249 CO -0.00 0.49 -0.68 0.58 -0.37 0.00 0.00 177.43 177.45 1xrm h VAL 250 N 0.05 1.35 -0.00 2.57 2.07 -0.87 -2.92 116.25 118.50 1xrm h VAL 250 Ca 0.00 -2.43 -0.24 0.00 0.82 0.00 0.00 66.70 64.86 1xrm h VAL 250 Cb 0.78 2.36 0.01 0.00 -1.52 0.00 0.00 31.29 32.92 1xrm h VAL 250 CO 0.06 0.66 -0.97 0.00 0.02 0.00 0.00 177.57 177.34 1xrm h ALA 251 N 1.32 0.29 -0.84 1.67 0.00 -1.23 -3.19 119.26 117.29 1xrm h ALA 251 Ca -0.01 -0.70 0.10 0.00 0.00 0.00 0.00 54.91 54.30 1xrm h ALA 251 Cb 1.30 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.03 1xrm h ALA 251 CO 0.09 0.77 0.48 -0.09 0.00 0.00 0.00 179.25 180.50 1xrm h ARG 252 N 0.29 0.77 -0.98 0.00 2.43 -0.44 -0.63 114.38 115.81 1xrm h ARG 252 Ca -0.10 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.05 1xrm h ARG 252 Cb 1.62 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 30.94 1xrm h ARG 252 CO 0.18 0.51 0.64 0.28 -1.51 0.00 0.00 179.97 180.07 1xrm h VAL 253 N 0.79 1.20 -0.17 0.20 2.07 -1.50 0.30 116.25 119.13 1xrm h VAL 253 Ca 0.41 -0.44 -0.10 0.00 0.82 0.00 0.00 66.70 67.40 1xrm h VAL 253 Cb 0.40 -0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 29.99 1xrm h VAL 253 CO -0.26 0.23 -0.27 0.40 0.02 0.00 0.00 177.57 177.69 1xrm h ILE 254 N 1.27 1.35 -0.39 4.57 2.04 -1.36 -3.17 117.51 121.81 1xrm h ILE 254 Ca 0.38 -1.50 0.00 0.00 1.00 0.00 0.00 64.86 64.74 1xrm h ILE 254 Cb -0.05 1.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 1xrm h ILE 254 CO -0.10 0.45 0.25 -0.74 0.00 0.00 0.00 178.15 178.01 1xrm h HIS 255 N 0.14 0.50 -0.45 1.37 2.76 -0.62 -2.30 115.15 116.55 1xrm h HIS 255 Ca 0.02 0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.29 1xrm h HIS 255 Cb 0.85 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.62 1xrm h HIS 255 CO 0.09 0.33 0.31 1.49 -1.30 0.00 0.00 177.93 178.86 1xrm h GLU 256 N 0.53 0.16 0.00 5.26 4.81 -0.45 -3.22 114.58 121.67 1xrm h GLU 256 Ca 0.14 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.29 1xrm h GLU 256 Cb -0.04 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1xrm h GLU 256 CO -0.03 0.10 -0.60 0.87 -0.73 0.00 0.00 179.01 178.62 1xrm h LYS 257 N 0.16 0.00 -5.82 1.92 6.56 -1.47 -3.44 116.57 114.47 1xrm h LYS 257 Ca 0.21 0.00 -0.44 0.00 -1.06 0.00 0.00 60.65 59.36 1xrm h LYS 257 Cb 0.63 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.26 1xrm h LYS 257 CO -0.03 0.45 1.30 0.42 -2.06 0.00 0.00 179.45 179.53 1xrm s ILE 258 N -2.16 3.26 0.32 1.86 1.01 -0.89 -4.60 121.20 119.99 1xrm s ILE 258 Ca -0.17 0.08 -0.29 0.00 0.00 0.00 0.00 60.65 60.26 1xrm s ILE 258 Cb 0.02 -3.66 -0.12 0.00 0.01 0.00 0.00 42.46 38.71 1xrm s ILE 258 CO 0.36 -0.64 1.41 0.00 0.00 0.00 0.00 174.94 176.07 1xrm n ALA 259 N 14.01 1.71 0.00 9.38 0.00 -1.26 -1.72 120.51 142.63 1xrm n ALA 259 Ca 0.28 0.37 0.00 0.00 0.00 0.00 0.00 53.44 54.09 1xrm n ALA 259 Cb 0.52 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.64 1xrm n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xrm n GLY 260 N 1.24 2.82 3.74 0.00 0.00 -1.26 -4.88 105.19 106.86 1xrm n GLY 260 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1xrm n GLY 260 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xrm s SER 261 N -3.74 4.84 0.05 1.61 1.04 -0.70 -4.66 113.70 112.14 1xrm s SER 261 Ca 0.00 2.36 0.03 0.00 0.48 0.00 0.00 55.95 58.82 1xrm s SER 261 Cb 0.00 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.49 1xrm s SER 261 CO 0.00 -1.83 0.03 -1.61 0.98 0.00 0.00 173.24 170.81 1xrm s GLU 262 N -3.58 2.75 -0.22 4.02 2.02 0.26 -4.99 118.70 118.97 1xrm s GLU 262 Ca 0.76 -0.70 0.00 0.00 0.02 0.00 0.00 54.97 55.06 1xrm s GLU 262 Cb -0.30 -2.66 0.06 0.00 0.10 0.00 0.00 34.13 31.33 1xrm s GLU 262 CO 0.38 0.58 -0.05 -1.17 0.02 0.00 0.00 175.26 175.03 1xrm s LEU 263 N -2.04 2.30 -0.21 1.80 2.96 -1.26 -0.32 118.68 121.92 1xrm s LEU 263 Ca 0.24 -1.07 -0.03 0.00 -0.22 0.00 0.00 54.13 53.06 1xrm s LEU 263 Cb -0.12 -1.09 -0.00 0.00 0.50 0.00 0.00 46.19 45.48 1xrm s LEU 263 CO 0.16 -0.23 -0.08 -1.00 -1.32 0.00 0.00 176.35 173.88 1xrm s HIS 264 N 1.47 2.91 -0.32 5.38 3.76 -0.12 -5.01 115.29 123.36 1xrm s HIS 264 Ca -0.04 -1.04 -0.13 0.00 -0.15 0.00 0.00 55.06 53.70 1xrm s HIS 264 Cb -0.18 -2.05 -0.03 0.00 1.11 0.00 0.00 32.58 31.43 1xrm s HIS 264 CO -0.07 -0.57 0.25 0.08 -0.85 0.00 0.00 174.74 173.59 1xrm s VAL 265 N 1.35 5.27 -0.56 -0.90 1.01 -1.26 -1.84 120.40 123.47 1xrm s VAL 265 Ca 0.04 -0.04 -0.28 0.00 0.00 0.00 0.00 61.98 61.70 1xrm s VAL 265 Cb -0.14 -3.68 0.03 0.00 0.00 0.00 0.00 36.38 32.58 1xrm s VAL 265 CO -0.04 0.05 1.23 -0.36 0.00 0.00 0.00 175.10 175.98 1xrm s PHE 266 N 1.79 2.57 0.52 5.22 0.40 0.21 -4.86 117.98 123.84 1xrm s PHE 266 Ca 0.08 0.47 -0.22 0.00 -0.60 0.00 0.00 56.93 56.65 1xrm s PHE 266 Cb -0.17 -4.48 -0.05 0.00 0.51 0.00 0.00 43.02 38.82 1xrm s PHE 266 CO 0.11 -1.63 1.30 1.03 0.70 0.00 0.00 175.22 176.73 1xrm s ARG 267 N 4.99 3.30 -1.88 0.44 1.81 -1.26 -0.97 118.95 125.37 1xrm s ARG 267 Ca 0.46 2.10 0.00 0.00 -1.72 0.00 0.00 55.73 56.57 1xrm s ARG 267 Cb -0.08 -2.29 0.00 0.00 -0.45 0.00 0.00 34.95 32.13 1xrm s ARG 267 CO 0.26 -1.02 0.00 -0.25 -0.68 0.00 0.00 175.30 173.61 1xrm n ASP 268 N -0.90 -5.29 -4.31 0.23 10.43 -1.26 -4.84 116.55 110.61 1xrm n ASP 268 Ca 0.10 0.28 -0.18 0.00 2.57 0.00 0.00 54.79 57.56 1xrm n ASP 268 Cb 0.46 -4.58 -0.10 0.00 1.84 0.00 0.00 41.12 38.74 1xrm n ASP 268 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1xrm n SER 270 N -0.06 0.00 0.03 0.00 3.41 -1.26 -0.96 113.62 114.78 1xrm n SER 270 Ca -0.11 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.45 1xrm n SER 270 Cb 0.59 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.51 1xrm n SER 270 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1xrm h HIS 271 N 0.00 -0.17 -0.16 7.33 2.76 -1.36 -3.10 115.15 120.44 1xrm h HIS 271 Ca 0.00 -0.00 -0.69 0.00 -2.20 0.00 0.00 60.37 57.48 1xrm h HIS 271 Cb 0.00 0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.01 1xrm h HIS 271 CO 0.00 0.03 3.47 1.28 -1.30 0.00 0.00 177.93 181.40 1xrm n LEU 272 N -4.89 8.12 0.32 0.26 4.77 -0.05 -4.64 117.00 120.88 1xrm n LEU 272 Ca -0.04 -4.37 0.21 0.00 -0.03 0.00 0.00 56.01 51.78 1xrm n LEU 272 Cb 0.14 -1.57 1.02 0.00 -2.33 0.00 0.00 43.42 40.68 1xrm n LEU 272 CO 0.11 1.79 1.11 0.71 -1.33 0.00 0.00 177.39 179.78 1xrm h THR 273 N 3.27 0.01 0.00 -5.08 1.35 -1.86 -1.79 112.91 108.80 1xrm h THR 273 Ca 0.76 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 66.42 1xrm h THR 273 Cb 0.39 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 1xrm h THR 273 CO 1.78 0.00 0.00 1.15 -0.25 0.00 0.00 175.52 178.20 1xrm n MET 274 N -3.10 0.00 -0.04 4.72 0.00 -1.26 -1.10 117.12 116.35 1xrm n MET 274 Ca -0.02 0.25 -0.05 0.00 0.00 0.00 0.00 57.70 57.89 1xrm n MET 274 Cb 0.16 -1.50 -0.06 0.00 0.00 0.00 0.00 33.22 31.82 1xrm n MET 274 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 175.97 176.88 1xrm n TRP 275 N -1.50 0.00 0.12 3.17 7.02 -0.69 -3.44 117.44 122.12 1xrm n TRP 275 Ca 0.03 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.50 1xrm n TRP 275 Cb 0.17 -0.42 0.05 0.00 -2.42 0.00 0.00 31.31 28.69 1xrm n TRP 275 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 1xrm h GLU 276 N 0.00 0.00 -1.38 -0.99 5.08 -1.37 -3.33 114.58 112.59 1xrm h GLU 276 Ca -0.23 0.00 -0.40 0.00 -1.00 0.00 0.00 59.36 57.73 1xrm h GLU 276 Cb 1.51 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 30.40 1xrm h GLU 276 CO 0.01 0.68 -1.05 -3.47 -1.00 0.00 0.00 179.01 174.18 1xrm n ASP 277 N -3.42 0.40 -0.34 1.42 2.03 -0.25 -4.98 116.55 111.41 1xrm n ASP 277 Ca 0.00 -3.00 0.17 0.00 0.52 0.00 0.00 54.79 52.49 1xrm n ASP 277 Cb 0.75 -0.17 0.40 0.00 -0.72 0.00 0.00 41.12 41.39 1xrm n ASP 277 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1xrm h ARG 278 N 2.94 0.57 0.06 -0.67 2.43 -1.67 0.72 114.38 118.76 1xrm h ARG 278 Ca 0.00 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1xrm h ARG 278 Cb 1.06 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 1xrm h ARG 278 CO 0.42 0.38 -0.03 1.49 -1.51 0.00 0.00 179.97 180.71 1xrm h GLU 279 N 0.58 -0.08 -0.82 0.20 4.81 -1.93 -2.25 114.58 115.10 1xrm h GLU 279 Ca 0.60 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.81 1xrm h GLU 279 Cb 1.19 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.55 1xrm h GLU 279 CO -0.38 0.49 0.41 0.78 -0.73 0.00 0.00 179.01 179.58 1xrm h GLY 280 N -0.89 1.25 0.80 1.92 0.00 -1.86 -0.22 103.07 104.07 1xrm h GLY 280 Ca -0.01 -0.61 -0.00 0.00 0.00 0.00 0.00 47.33 46.71 1xrm h GLY 280 CO 0.01 0.58 -0.02 -1.82 0.00 0.00 0.00 176.54 175.29 1xrm h TYR 281 N 1.16 -0.06 -0.62 5.60 3.20 0.33 -1.79 116.97 124.79 1xrm h TYR 281 Ca 0.28 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.12 1xrm h TYR 281 Cb 0.09 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 1xrm h TYR 281 CO 0.01 0.16 0.27 -0.91 -1.64 0.00 0.00 178.16 176.05 1xrm h ASN 282 N -0.27 0.84 -0.71 -2.11 -0.26 -1.25 -2.12 115.58 109.71 1xrm h ASN 282 Ca -0.01 -0.15 0.01 0.00 -0.56 0.00 0.00 56.30 55.59 1xrm h ASN 282 Cb 0.24 -0.22 -0.04 0.00 -1.06 0.00 0.00 38.32 37.25 1xrm h ASN 282 CO 0.01 0.76 0.47 0.50 -1.06 0.00 0.00 177.43 178.11 1xrm h LYS 283 N 0.86 0.93 -0.11 0.81 3.64 -1.01 0.18 116.57 121.87 1xrm h LYS 283 Ca 0.21 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1xrm h LYS 283 Cb 0.17 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1xrm h LYS 283 CO -0.02 0.61 0.04 1.25 -2.27 0.00 0.00 179.45 179.06 1xrm h LEU 284 N 0.95 0.06 -0.42 5.20 5.85 -1.00 0.23 115.31 126.18 1xrm h LEU 284 Ca 0.26 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.92 1xrm h LEU 284 Cb -0.10 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1xrm h LEU 284 CO -0.06 0.05 -0.03 -0.07 -0.34 0.00 0.00 178.44 177.98 1xrm h LEU 285 N 0.10 0.76 -0.74 2.25 4.07 -1.07 -2.14 115.31 118.54 1xrm h LEU 285 Ca 0.05 -0.33 -0.11 0.00 0.08 0.00 0.00 57.88 57.57 1xrm h LEU 285 Cb 0.02 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.54 1xrm h LEU 285 CO -0.04 0.90 -0.22 0.77 -1.08 0.00 0.00 178.44 178.77 1xrm h SER 286 N 0.59 0.73 -0.24 -0.43 4.64 -0.86 -1.74 113.55 116.23 1xrm h SER 286 Ca 0.11 -0.26 -0.11 0.00 -0.47 0.00 0.00 61.79 61.07 1xrm h SER 286 Cb 0.54 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1xrm h SER 286 CO 0.03 0.93 -0.22 0.44 -0.87 0.00 0.00 176.83 177.14 1xrm h ASP 287 N 0.63 0.72 0.42 4.97 3.32 -0.89 -2.12 116.42 123.47 1xrm h ASP 287 Ca 0.09 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 56.87 1xrm h ASP 287 Cb 0.71 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1xrm h ASP 287 CO 0.05 0.93 -0.20 0.15 -1.72 0.00 0.00 179.24 178.45 1xrm h PHE 288 N 0.62 -0.53 -0.07 4.55 3.57 -1.02 -2.37 116.94 121.69 1xrm h PHE 288 Ca 0.09 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.62 1xrm h PHE 288 Cb 0.71 0.17 -0.06 0.00 2.79 0.00 0.00 35.95 39.57 1xrm h PHE 288 CO 0.03 -0.26 -0.33 0.82 -2.23 0.00 0.00 178.31 176.34 1xrm h ILE 289 N -0.69 0.28 -0.03 1.41 2.04 -1.27 -2.30 117.51 116.96 1xrm h ILE 289 Ca -0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1xrm h ILE 289 Cb 0.50 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1xrm h ILE 289 CO 0.10 0.00 0.02 -0.07 0.00 0.00 0.00 178.15 178.19 1xrm h LEU 290 N -0.44 0.01 0.00 1.44 3.38 -1.41 0.36 115.31 118.66 1xrm h LEU 290 Ca 0.08 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1xrm h LEU 290 Cb 0.56 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1xrm h LEU 290 CO -0.32 0.01 0.00 0.29 0.09 0.00 0.00 178.44 178.51 1xrm n LYS 291 N -4.53 0.91 -1.40 1.13 5.02 -0.88 -3.41 118.16 115.00 1xrm n LYS 291 Ca -0.02 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.31 1xrm n LYS 291 Cb 0.10 -1.43 0.04 0.00 -0.02 0.00 0.00 35.03 33.72 1xrm n LYS 291 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1xrm n HIS 292 N -0.93 0.00 0.54 2.13 8.25 0.10 -5.08 115.22 120.22 1xrm n HIS 292 Ca 0.19 -0.58 0.04 0.00 -0.26 0.00 0.00 57.72 57.11 1xrm n HIS 292 Cb 0.09 -0.16 0.26 0.00 1.12 0.00 0.00 29.99 31.29 1xrm n HIS 292 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26