#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xrr s ILE 6 N -2.65 5.18 0.01 0.00 -4.36 -0.87 -4.90 121.20 113.61 1xrr s ILE 6 Ca 0.59 0.83 0.02 0.00 -0.26 0.00 0.00 60.65 61.82 1xrr s ILE 6 Cb -0.08 -3.78 -0.04 0.00 1.25 0.00 0.00 42.46 39.81 1xrr s ILE 6 CO 0.37 0.26 0.01 -1.61 0.24 0.00 0.00 174.94 174.22 1xrr s GLU 7 N 1.15 2.79 0.07 0.37 2.02 -1.26 -1.03 118.70 122.82 1xrr s GLU 7 Ca 0.22 -0.62 -0.27 0.00 0.02 0.00 0.00 54.97 54.31 1xrr s GLU 7 Cb -0.15 -2.68 0.09 0.00 0.10 0.00 0.00 34.13 31.49 1xrr s GLU 7 CO 0.09 0.62 1.04 1.21 0.02 0.00 0.00 175.26 178.23 1xrr s ASN 8 N -1.69 -0.18 -0.20 -0.19 2.47 -0.77 -5.01 114.94 109.37 1xrr s ASN 8 Ca 0.21 -0.26 -0.08 0.00 0.42 0.00 0.00 52.86 53.15 1xrr s ASN 8 Cb -0.12 0.38 -0.04 0.00 -1.45 0.00 0.00 41.25 40.02 1xrr s ASN 8 CO 0.12 -0.69 0.09 -0.31 -3.72 0.00 0.00 177.10 172.59 1xrr s TYR 9 N -3.02 3.25 -0.13 0.43 1.51 -1.26 -1.29 117.35 116.85 1xrr s TYR 9 Ca 0.11 0.06 0.01 0.00 -1.01 0.00 0.00 57.07 56.25 1xrr s TYR 9 Cb 0.00 -2.14 -0.01 0.00 -0.11 0.00 0.00 41.96 39.70 1xrr s TYR 9 CO -0.01 0.08 -0.17 0.00 -1.11 0.00 0.00 175.55 174.34 1xrr s ALA 10 N 0.66 2.46 -0.51 3.71 0.00 0.13 -4.89 121.76 123.33 1xrr s ALA 10 Ca 0.05 -0.94 -0.25 0.00 0.00 0.00 0.00 51.96 50.82 1xrr s ALA 10 Cb -0.13 -1.09 0.03 0.00 0.00 0.00 0.00 23.12 21.93 1xrr s ALA 10 CO 0.01 0.21 0.94 0.21 0.00 0.00 0.00 175.76 177.14 1xrr s LYS 11 N 0.43 3.42 -0.09 0.00 2.20 -1.26 0.13 119.74 124.57 1xrr s LYS 11 Ca -0.12 -0.06 0.04 0.00 -0.36 0.00 0.00 55.97 55.47 1xrr s LYS 11 Cb -0.16 -3.99 -0.00 0.00 -1.51 0.00 0.00 37.83 32.16 1xrr s LYS 11 CO 0.06 -1.37 -0.24 0.08 -0.36 0.00 0.00 175.35 173.52 1xrr s VAL 12 N 3.88 2.04 -1.23 4.02 1.01 0.24 -4.70 120.40 125.66 1xrr s VAL 12 Ca 0.34 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1xrr s VAL 12 Cb -0.11 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.51 1xrr s VAL 12 CO 0.23 0.56 0.00 0.59 0.00 0.00 0.00 175.10 176.47 1xrr n ASN 13 N 3.39 -4.07 0.00 3.32 3.02 -1.26 -1.33 115.26 118.33 1xrr n ASN 13 Ca -0.19 0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1xrr n ASN 13 Cb 0.53 -3.51 0.00 0.00 -0.61 0.00 0.00 39.78 36.18 1xrr n ASN 13 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xrr n GLY 14 N -0.70 0.83 3.11 7.41 0.00 -1.26 -5.07 105.19 109.51 1xrr n GLY 14 Ca -0.16 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 1xrr n GLY 14 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xrr s ILE 15 N -2.00 0.18 -0.17 -0.61 -4.36 -0.44 -5.11 121.20 108.69 1xrr s ILE 15 Ca 0.00 -1.82 -0.19 0.00 -0.26 0.00 0.00 60.65 58.38 1xrr s ILE 15 Cb 0.00 -1.67 -0.03 0.00 1.25 0.00 0.00 42.46 42.00 1xrr s ILE 15 CO 0.00 -0.83 0.54 -0.31 0.24 0.00 0.00 174.94 174.58 1xrr s TYR 16 N -3.96 3.42 -0.17 1.37 1.51 -1.26 0.79 117.35 119.05 1xrr s TYR 16 Ca 0.12 0.87 0.01 0.00 -1.01 0.00 0.00 57.07 57.06 1xrr s TYR 16 Cb 0.08 -2.67 0.01 0.00 -0.11 0.00 0.00 41.96 39.27 1xrr s TYR 16 CO -0.06 -0.03 -0.18 0.42 -1.11 0.00 0.00 175.55 174.58 1xrr s ILE 17 N 1.35 2.28 0.27 2.71 -1.09 0.35 -2.23 121.20 124.84 1xrr s ILE 17 Ca 0.26 -0.88 -0.29 0.00 -2.23 0.00 0.00 60.65 57.51 1xrr s ILE 17 Cb -0.16 -1.96 -0.09 0.00 -1.58 0.00 0.00 42.46 38.68 1xrr s ILE 17 CO 0.10 0.53 0.98 -0.47 -1.23 0.00 0.00 174.94 174.85 1xrr s TYR 18 N 1.12 3.83 -0.06 3.97 5.04 -1.26 0.18 117.35 130.17 1xrr s TYR 18 Ca 0.00 1.84 -0.08 0.00 -2.44 0.00 0.00 57.07 56.39 1xrr s TYR 18 Cb -0.14 -3.04 0.02 0.00 0.35 0.00 0.00 41.96 39.15 1xrr s TYR 18 CO -0.07 0.18 0.22 1.52 -1.34 0.00 0.00 175.55 176.06 1xrr s TYR 19 N -1.27 -0.19 -0.23 4.97 1.13 -0.41 -2.45 117.35 118.91 1xrr s TYR 19 Ca 0.44 0.43 0.00 0.00 -1.41 0.00 0.00 57.07 56.53 1xrr s TYR 19 Cb -0.26 0.06 0.03 0.00 -1.10 0.00 0.00 41.96 40.69 1xrr s TYR 19 CO 0.32 -0.18 -0.11 0.21 -2.51 0.00 0.00 175.55 173.28 1xrr s LYS 20 N -0.32 2.77 -0.33 -3.49 2.20 0.39 -1.85 119.74 119.11 1xrr s LYS 20 Ca -0.04 -1.00 -0.11 0.00 -0.36 0.00 0.00 55.97 54.46 1xrr s LYS 20 Cb -0.03 -2.85 0.00 0.00 -1.51 0.00 0.00 37.83 33.44 1xrr s LYS 20 CO 0.01 -0.37 0.19 -1.17 -0.36 0.00 0.00 175.35 173.64 1xrr s LEU 21 N 1.27 4.36 -0.80 5.43 0.20 -0.20 -0.86 118.68 128.08 1xrr s LEU 21 Ca -0.00 -0.64 -0.07 0.00 0.69 0.00 0.00 54.13 54.11 1xrr s LEU 21 Cb -0.16 -2.04 0.21 0.00 -0.43 0.00 0.00 46.19 43.77 1xrr s LEU 21 CO -0.07 -0.26 0.70 0.00 -0.29 0.00 0.00 176.35 176.43 1xrr s LYS 23 N -0.41 3.34 -0.14 0.00 1.02 -1.26 -1.67 119.74 120.62 1xrr s LYS 23 Ca 0.21 2.00 -0.12 0.00 0.02 0.00 0.00 55.97 58.08 1xrr s LYS 23 Cb -0.13 -2.26 -0.05 0.00 -0.52 0.00 0.00 37.83 34.88 1xrr s LYS 23 CO -0.08 -0.96 0.25 0.00 -0.92 0.00 0.00 175.35 173.64 1xrr s ALA 24 N -1.44 3.68 0.00 5.17 0.00 -1.26 -4.87 121.76 123.04 1xrr s ALA 24 Ca 0.70 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.16 1xrr s ALA 24 Cb -0.34 -2.26 0.00 0.00 0.00 0.00 0.00 23.12 20.51 1xrr s ALA 24 CO 0.40 0.27 0.53 -2.30 0.00 0.00 0.00 175.76 174.66 1xrr n PRO 25 N 2.98 0.00 -1.79 0.00 -0.02 -1.26 -1.27 135.00 133.65 1xrr n PRO 25 Ca -0.15 0.52 -0.35 0.00 -2.02 0.00 0.00 63.50 61.50 1xrr n PRO 25 Cb 0.53 -1.03 -0.03 0.00 -0.02 0.00 0.00 33.50 32.95 1xrr n PRO 25 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1xrr n GLU 26 N -1.11 3.84 -1.55 -0.52 -0.58 -1.26 -4.97 120.64 114.49 1xrr n GLU 26 Ca 0.00 -3.01 -0.56 0.00 -0.42 0.00 0.00 57.16 53.17 1xrr n GLU 26 Cb 0.00 -2.48 -0.07 0.00 -0.57 0.00 0.00 31.44 28.32 1xrr n GLU 26 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1xrr n GLU 27 N 1.58 0.55 -0.01 3.49 2.13 -0.39 -4.70 120.64 123.28 1xrr n GLU 27 Ca 0.59 0.20 0.03 0.00 0.66 0.00 0.00 57.16 58.64 1xrr n GLU 27 Cb 0.36 -1.77 -0.07 0.00 0.27 0.00 0.00 31.44 30.23 1xrr n GLU 27 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1xrr n LYS 28 N 2.05 0.65 -3.60 5.31 4.76 0.15 -5.01 118.16 122.47 1xrr n LYS 28 Ca 0.19 -0.07 -0.04 0.00 -2.87 0.00 0.00 58.31 55.52 1xrr n LYS 28 Cb 0.13 -1.22 -0.02 0.00 -1.84 0.00 0.00 35.03 32.09 1xrr n LYS 28 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xrr s ALA 29 N -2.56 -1.95 0.05 7.82 0.00 -1.24 -5.03 121.76 118.85 1xrr s ALA 29 Ca -0.03 0.97 0.05 0.00 0.00 0.00 0.00 51.96 52.94 1xrr s ALA 29 Cb 0.05 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 1xrr s ALA 29 CO 0.37 -0.80 -0.08 0.15 0.00 0.00 0.00 175.76 175.41 1xrr s LYS 30 N -2.80 2.38 -0.15 0.00 1.02 -1.26 -1.03 119.74 117.89 1xrr s LYS 30 Ca 0.09 -0.85 -0.00 0.00 0.02 0.00 0.00 55.97 55.23 1xrr s LYS 30 Cb 0.00 -2.42 0.03 0.00 -0.52 0.00 0.00 37.83 34.92 1xrr s LYS 30 CO -0.05 0.56 -0.10 -1.17 -0.92 0.00 0.00 175.35 173.68 1xrr s LEU 31 N -1.80 1.60 -0.11 3.17 2.96 0.13 -2.10 118.68 122.53 1xrr s LEU 31 Ca 0.20 -0.53 -0.16 0.00 -0.22 0.00 0.00 54.13 53.42 1xrr s LEU 31 Cb -0.11 -1.02 -0.05 0.00 0.50 0.00 0.00 46.19 45.51 1xrr s LEU 31 CO 0.11 -0.12 0.40 -0.32 -1.32 0.00 0.00 176.35 175.10 1xrr s MET 32 N 1.58 4.20 0.06 1.98 -2.45 0.52 0.61 119.30 125.79 1xrr s MET 32 Ca 0.03 0.32 0.06 0.00 -1.25 0.00 0.00 55.69 54.85 1xrr s MET 32 Cb -0.14 -3.38 -0.04 0.00 1.25 0.00 0.00 34.83 32.53 1xrr s MET 32 CO -0.09 0.31 -0.10 0.95 1.05 0.00 0.00 175.02 177.14 1xrr s THR 33 N 0.16 3.36 -0.19 10.11 -4.23 -0.48 0.36 115.64 124.74 1xrr s THR 33 Ca 0.22 -1.10 0.00 0.00 -1.18 0.00 0.00 61.69 59.64 1xrr s THR 33 Cb -0.15 -2.51 0.04 0.00 1.34 0.00 0.00 72.50 71.23 1xrr s THR 33 CO 0.09 0.24 -0.08 -0.04 -0.54 0.00 0.00 174.62 174.29 1xrr s MET 34 N -1.83 1.80 0.68 3.99 -1.94 0.72 -4.50 119.30 118.22 1xrr s MET 34 Ca 0.19 -0.75 -0.11 0.00 -1.71 0.00 0.00 55.69 53.30 1xrr s MET 34 Cb -0.11 -2.31 -0.00 0.00 2.01 0.00 0.00 34.83 34.42 1xrr s MET 34 CO 0.10 -0.45 1.06 -3.38 -0.01 0.00 0.00 175.02 172.34 1xrr s HIS 35 N 1.47 3.13 0.00 -0.03 -3.43 -1.26 -0.48 115.29 114.69 1xrr s HIS 35 Ca -0.01 1.43 0.00 0.00 -0.80 0.00 0.00 55.06 55.67 1xrr s HIS 35 Cb -0.16 -2.89 0.00 0.00 -1.43 0.00 0.00 32.58 28.10 1xrr s HIS 35 CO -0.08 -1.18 0.00 0.41 -2.00 0.00 0.00 174.74 171.89 1xrr n GLY 36 N -1.91 -1.21 0.00 -1.38 0.00 -0.92 -2.57 105.19 97.20 1xrr n GLY 36 Ca 0.08 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.50 1xrr n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xrr n GLY 37 N 4.45 1.20 3.79 -0.02 0.00 -1.26 -3.52 105.19 109.83 1xrr n GLY 37 Ca 0.00 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.86 1xrr n GLY 37 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xrr s PRO 38 N 0.00 3.35 0.00 1.61 0.04 -1.26 -4.71 135.00 134.03 1xrr s PRO 38 Ca 0.00 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.37 1xrr s PRO 38 Cb 0.00 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1xrr s PRO 38 CO 0.00 -0.80 0.00 0.41 0.04 0.00 0.00 177.00 176.65 1xrr n GLY 39 N -0.57 0.87 0.00 0.56 0.00 -1.26 -3.14 105.19 101.66 1xrr n GLY 39 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1xrr n GLY 39 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1xrr n MET 40 N -0.56 0.31 -3.78 1.61 2.81 -1.23 -2.81 117.12 113.47 1xrr n MET 40 Ca 0.00 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.83 1xrr n MET 40 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.49 1xrr n MET 40 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1xrr s SER 41 N -1.00 -0.25 0.46 7.83 1.04 -1.26 -2.99 113.70 117.53 1xrr s SER 41 Ca 0.00 -0.47 0.26 0.00 0.48 0.00 0.00 55.95 56.22 1xrr s SER 41 Cb 0.00 0.62 0.83 0.00 0.10 0.00 0.00 66.02 67.57 1xrr s SER 41 CO 0.00 -1.13 1.78 1.12 0.98 0.00 0.00 173.24 176.00 1xrr h HIS 42 N 2.00 0.00 -0.92 5.02 2.07 -1.97 -3.37 115.15 117.98 1xrr h HIS 42 Ca -0.22 0.00 0.11 0.00 -2.85 0.00 0.00 60.37 57.41 1xrr h HIS 42 Cb 1.25 0.00 -0.13 0.00 2.57 0.00 0.00 27.41 31.10 1xrr h HIS 42 CO 0.39 0.13 -0.48 -0.25 -3.07 0.00 0.00 177.93 174.66 1xrr n ASP 43 N -3.21 -0.84 0.00 3.10 8.00 -1.26 -0.44 116.55 121.90 1xrr n ASP 43 Ca 0.01 1.63 0.03 0.00 0.71 0.00 0.00 54.79 57.17 1xrr n ASP 43 Cb 0.45 -0.27 0.17 0.00 -0.02 0.00 0.00 41.12 41.44 1xrr n ASP 43 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xrr n TYR 44 N -5.23 0.00 0.64 1.24 4.11 -1.05 -1.34 117.16 115.53 1xrr n TYR 44 Ca 0.05 0.00 0.07 0.00 -0.00 0.00 0.00 57.90 58.02 1xrr n TYR 44 Cb 0.29 0.00 0.03 0.00 -0.00 0.00 0.00 39.34 39.66 1xrr n TYR 44 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 1xrr n LEU 45 N -0.83 1.94 -0.11 -3.48 4.77 0.42 -4.59 117.00 115.12 1xrr n LEU 45 Ca 0.04 -0.90 0.25 0.00 -0.03 0.00 0.00 56.01 55.38 1xrr n LEU 45 Cb 0.02 0.00 0.71 0.00 -2.33 0.00 0.00 43.42 41.82 1xrr n LEU 45 CO 0.03 0.36 1.23 -0.07 -1.33 0.00 0.00 177.39 177.61 1xrr h LEU 46 N 2.38 0.00 -1.85 2.23 3.38 -1.25 -1.12 115.31 119.08 1xrr h LEU 46 Ca 0.00 0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.22 1xrr h LEU 46 Cb 0.57 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 1xrr h LEU 46 CO 0.00 0.00 0.63 0.77 0.09 0.00 0.00 178.44 179.93 1xrr h SER 47 N 0.00 0.12 0.53 -0.43 4.64 -1.83 0.37 113.55 116.95 1xrr h SER 47 Ca 0.36 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1xrr h SER 47 Cb 1.44 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 1xrr h SER 47 CO -0.00 0.04 0.00 0.18 -0.87 0.00 0.00 176.83 176.18 1xrr n LEU 48 N -4.34 0.59 0.13 5.97 4.32 -0.42 -2.78 117.00 120.46 1xrr n LEU 48 Ca 0.19 0.68 0.19 0.00 -0.02 0.00 0.00 56.01 57.05 1xrr n LEU 48 Cb 0.89 -0.63 0.77 0.00 -1.62 0.00 0.00 43.42 42.83 1xrr n LEU 48 CO 0.36 -0.64 1.17 -0.09 -1.22 0.00 0.00 177.39 176.97 1xrr h ARG 49 N 0.00 0.00 0.00 3.23 2.43 -0.43 0.17 114.38 119.77 1xrr h ARG 49 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1xrr h ARG 49 Cb 0.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1xrr h ARG 49 CO 0.00 0.00 0.03 -0.25 -1.51 0.00 0.00 179.97 178.24 1xrr n ASP 50 N -3.74 0.41 0.24 -3.80 10.43 -1.12 -1.23 116.55 117.73 1xrr n ASP 50 Ca 0.05 0.68 0.09 0.00 2.57 0.00 0.00 54.79 58.18 1xrr n ASP 50 Cb 0.52 -0.72 0.61 0.00 1.84 0.00 0.00 41.12 43.37 1xrr n ASP 50 CO 0.00 0.00 0.00 -0.03 -1.07 0.00 0.00 177.20 176.10 1xrr h MET 51 N 0.00 0.00 -0.72 -1.24 4.05 -0.94 -2.62 114.93 113.46 1xrr h MET 51 Ca 0.00 0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.45 1xrr h MET 51 Cb 0.06 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.82 1xrr h MET 51 CO 0.00 0.17 0.47 1.79 0.23 0.00 0.00 176.91 179.57 1xrr h THR 52 N 0.00 1.13 0.00 -0.77 1.35 -0.90 0.14 112.91 113.86 1xrr h THR 52 Ca -0.00 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1xrr h THR 52 Cb 0.37 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 66.94 1xrr h THR 52 CO 0.02 0.16 0.00 0.29 -0.25 0.00 0.00 175.52 175.75 1xrr n LYS 53 N -4.45 0.10 -0.47 4.72 5.02 -0.99 -0.50 118.16 121.59 1xrr n LYS 53 Ca 0.09 0.23 0.09 0.00 -2.02 0.00 0.00 58.31 56.69 1xrr n LYS 53 Cb 0.10 -1.50 0.30 0.00 -0.02 0.00 0.00 35.03 33.90 1xrr n LYS 53 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1xrr n GLU 54 N -1.38 3.33 -2.07 1.97 4.71 -0.02 -4.92 120.64 122.27 1xrr n GLU 54 Ca 0.04 -2.68 -0.08 0.00 -0.01 0.00 0.00 57.16 54.44 1xrr n GLU 54 Cb 0.11 -1.72 -0.01 0.00 -1.01 0.00 0.00 31.44 28.82 1xrr n GLU 54 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xrr n GLY 55 N 0.80 0.13 3.11 0.62 0.00 0.34 -4.87 105.19 105.32 1xrr n GLY 55 Ca 0.22 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 1xrr n GLY 55 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xrr s ILE 56 N -2.38 2.28 0.24 -0.61 1.01 -0.86 0.29 121.20 121.17 1xrr s ILE 56 Ca 0.00 -1.29 -0.30 0.00 0.00 0.00 0.00 60.65 59.07 1xrr s ILE 56 Cb 0.00 -2.18 -0.09 0.00 0.01 0.00 0.00 42.46 40.20 1xrr s ILE 56 CO 0.00 0.20 1.08 -0.89 0.00 0.00 0.00 174.94 175.33 1xrr s THR 57 N 1.21 3.69 -0.10 2.92 2.01 -0.20 -2.58 115.64 122.59 1xrr s THR 57 Ca -0.02 1.61 0.02 0.00 0.31 0.00 0.00 61.69 63.60 1xrr s THR 57 Cb -0.17 -4.02 0.02 0.00 0.01 0.00 0.00 72.50 68.33 1xrr s THR 57 CO -0.08 0.35 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.38 1xrr s VAL 58 N -0.82 1.32 -0.34 3.82 1.01 -0.67 0.20 120.40 124.91 1xrr s VAL 58 Ca 0.46 -0.54 -0.12 0.00 0.00 0.00 0.00 61.98 61.77 1xrr s VAL 58 Cb -0.30 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 34.84 1xrr s VAL 58 CO 0.38 0.41 0.23 -0.22 0.00 0.00 0.00 175.10 175.89 1xrr s LEU 59 N 1.01 4.50 0.07 3.92 2.96 0.20 -1.63 118.68 129.71 1xrr s LEU 59 Ca -0.07 -0.52 0.03 0.00 -0.22 0.00 0.00 54.13 53.35 1xrr s LEU 59 Cb -0.15 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 1xrr s LEU 59 CO -0.01 -0.25 0.07 -0.36 -1.32 0.00 0.00 176.35 174.47 1xrr s PHE 60 N 1.69 3.17 -0.22 5.38 0.08 -0.04 -1.38 117.98 126.66 1xrr s PHE 60 Ca 0.05 0.08 -0.27 0.00 0.12 0.00 0.00 56.93 56.91 1xrr s PHE 60 Cb -0.18 -1.63 0.11 0.00 -0.57 0.00 0.00 43.02 40.76 1xrr s PHE 60 CO 0.09 0.52 0.93 1.52 -0.10 0.00 0.00 175.22 178.18 1xrr s TYR 61 N -1.34 -0.52 -0.38 0.36 1.13 -1.26 -0.46 117.35 114.88 1xrr s TYR 61 Ca 0.28 1.13 -0.23 0.00 -1.41 0.00 0.00 57.07 56.84 1xrr s TYR 61 Cb -0.12 0.38 0.01 0.00 -1.10 0.00 0.00 41.96 41.13 1xrr s TYR 61 CO 0.20 -0.33 0.78 -0.51 -2.51 0.00 0.00 175.55 173.18 1xrr s ASP 62 N -0.28 6.52 1.22 -0.18 -0.00 -1.03 -4.47 116.67 118.45 1xrr s ASP 62 Ca -0.00 0.25 -0.16 0.00 -0.00 0.00 0.00 52.55 52.64 1xrr s ASP 62 Cb -0.03 -2.39 0.27 0.00 -0.00 0.00 0.00 42.92 40.77 1xrr s ASP 62 CO -0.01 -0.77 0.75 0.00 -0.00 0.00 0.00 175.17 175.15 1xrr n GLN 63 N 6.47 -2.72 -1.63 8.23 6.02 -1.26 -4.47 117.38 128.02 1xrr n GLN 63 Ca 0.03 -0.78 -0.45 0.00 -0.01 0.00 0.00 57.00 55.79 1xrr n GLN 63 Cb 0.48 -2.01 -0.02 0.00 1.02 0.00 0.00 30.24 29.71 1xrr n GLN 63 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 177.06 178.02 1xrr n PHE 64 N -5.02 1.69 -0.08 1.08 -1.74 -1.26 -1.00 117.46 111.14 1xrr n PHE 64 Ca 0.03 0.60 0.00 0.00 -0.56 0.00 0.00 57.45 57.52 1xrr n PHE 64 Cb 0.56 -2.34 0.00 0.00 1.52 0.00 0.00 39.48 39.22 1xrr n PHE 64 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1xrr n GLY 65 N 1.59 1.34 3.90 4.97 0.00 -1.20 -4.91 105.19 110.88 1xrr n GLY 65 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1xrr n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xrr n GLY 67 N -0.39 1.09 0.45 0.00 0.00 -1.16 -0.84 105.19 104.34 1xrr n GLY 67 Ca -0.02 0.72 0.10 0.00 0.00 0.00 0.00 46.02 46.82 1xrr n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xrr n ARG 68 N 0.00 1.31 -2.77 1.61 1.74 -1.26 -4.99 116.66 112.29 1xrr n ARG 68 Ca 0.00 -0.92 -0.31 0.00 -0.77 0.00 0.00 57.85 55.85 1xrr n ARG 68 Cb 0.00 -1.43 -0.03 0.00 -1.02 0.00 0.00 32.46 29.98 1xrr n ARG 68 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1xrr s SER 69 N -2.35 6.54 0.21 0.55 0.01 -0.02 -4.70 113.70 113.93 1xrr s SER 69 Ca 0.17 1.21 -0.17 0.00 1.31 0.00 0.00 55.95 58.47 1xrr s SER 69 Cb 0.17 -2.36 -0.08 0.00 0.21 0.00 0.00 66.02 63.96 1xrr s SER 69 CO 0.54 -0.43 0.65 -1.83 0.41 0.00 0.00 173.24 172.58 1xrr s GLU 70 N -3.89 4.10 0.22 12.44 -1.05 -0.95 -3.98 118.70 125.61 1xrr s GLU 70 Ca 0.53 0.68 -0.30 0.00 -0.15 0.00 0.00 54.97 55.73 1xrr s GLU 70 Cb -0.10 -2.84 -0.09 0.00 -0.44 0.00 0.00 34.13 30.66 1xrr s GLU 70 CO 0.31 0.40 0.94 -1.21 0.95 0.00 0.00 175.26 176.65 1xrr s GLU 71 N -2.11 4.84 0.00 -4.83 2.02 -1.26 -3.21 118.70 114.15 1xrr s GLU 71 Ca 0.42 1.48 0.00 0.00 0.02 0.00 0.00 54.97 56.90 1xrr s GLU 71 Cb -0.15 -3.29 0.00 0.00 0.10 0.00 0.00 34.13 30.79 1xrr s GLU 71 CO 0.20 0.49 0.00 -0.35 0.02 0.00 0.00 175.26 175.61 1xrr n PRO 72 N 1.64 2.70 -2.47 0.39 -0.04 -1.26 -4.92 135.00 131.04 1xrr n PRO 72 Ca -0.02 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.06 1xrr n PRO 72 Cb 0.47 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.89 1xrr n PRO 72 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1xrr s ASP 73 N -1.00 6.97 0.56 3.54 2.15 -1.26 -4.91 116.67 122.72 1xrr s ASP 73 Ca 0.00 2.20 0.28 0.00 0.43 0.00 0.00 52.55 55.46 1xrr s ASP 73 Cb 0.00 -2.61 1.47 0.00 -0.30 0.00 0.00 42.92 41.48 1xrr s ASP 73 CO 0.00 -0.35 1.96 1.56 -0.17 0.00 0.00 175.17 178.17 1xrr h GLN 74 N 3.17 0.00 0.00 4.34 4.20 -2.00 0.27 115.11 125.09 1xrr h GLN 74 Ca -0.48 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.23 1xrr h GLN 74 Cb 1.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.00 1xrr h GLN 74 CO 0.65 0.00 0.00 0.66 -0.67 0.00 0.00 178.83 179.47 1xrr h SER 75 N 0.00 0.00 -0.60 1.46 4.64 -2.05 -1.56 113.55 115.45 1xrr h SER 75 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1xrr h SER 75 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1xrr h SER 75 CO -0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1xrr n LYS 76 N -2.31 3.47 -2.03 4.77 5.02 0.96 -4.71 118.16 123.32 1xrr n LYS 76 Ca 0.00 -2.77 -0.42 0.00 -2.02 0.00 0.00 58.31 53.10 1xrr n LYS 76 Cb 0.14 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 33.37 1xrr n LYS 76 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1xrr n PHE 77 N 0.99 3.15 -4.14 2.13 0.99 -0.59 -4.73 117.46 115.26 1xrr n PHE 77 Ca 0.24 -2.88 -0.09 0.00 -0.00 0.00 0.00 57.45 54.72 1xrr n PHE 77 Cb 0.81 -2.22 -0.10 0.00 -1.00 0.00 0.00 39.48 36.97 1xrr n PHE 77 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 1xrr s THR 78 N 1.57 0.49 0.20 4.37 -4.23 -1.26 -4.87 115.64 111.91 1xrr s THR 78 Ca 0.44 -1.89 -0.07 0.00 -1.18 0.00 0.00 61.69 59.00 1xrr s THR 78 Cb 0.12 -1.65 0.05 0.00 1.34 0.00 0.00 72.50 72.36 1xrr s THR 78 CO -0.04 -0.89 1.63 0.40 -0.54 0.00 0.00 174.62 175.17 1xrr h ILE 79 N 3.02 1.27 -0.94 2.99 2.04 -1.98 -1.65 117.51 122.26 1xrr h ILE 79 Ca -0.35 -1.26 0.08 0.00 1.00 0.00 0.00 64.86 64.33 1xrr h ILE 79 Cb 1.16 1.03 -0.07 0.00 -0.74 0.00 0.00 36.82 38.19 1xrr h ILE 79 CO 0.65 0.44 0.58 0.44 0.00 0.00 0.00 178.15 180.26 1xrr h ASP 80 N 0.82 0.90 -0.30 1.72 3.45 -1.96 0.06 116.42 121.10 1xrr h ASP 80 Ca 0.13 0.03 -0.14 0.00 0.43 0.00 0.00 57.03 57.47 1xrr h ASP 80 Cb 0.67 -0.16 -0.00 0.00 -0.56 0.00 0.00 39.33 39.28 1xrr h ASP 80 CO 0.05 0.54 -0.37 0.22 -1.57 0.00 0.00 179.24 178.11 1xrr h TYR 81 N 1.01 0.95 -0.80 4.55 3.20 -1.79 -2.91 116.97 121.18 1xrr h TYR 81 Ca 0.43 -0.30 0.12 0.00 3.14 0.00 0.00 58.73 62.12 1xrr h TYR 81 Cb 0.28 -0.19 -0.06 0.00 1.54 0.00 0.00 36.73 38.31 1xrr h TYR 81 CO -0.02 1.09 0.52 0.78 -1.64 0.00 0.00 178.16 178.89 1xrr h GLY 82 N 0.54 0.97 0.72 1.82 0.00 -0.15 -1.15 103.07 105.82 1xrr h GLY 82 Ca 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 1xrr h GLY 82 CO 0.09 0.12 -0.13 -2.08 0.00 0.00 0.00 176.54 174.54 1xrr h VAL 83 N 0.62 0.78 0.00 4.60 2.07 -0.94 -1.71 116.25 121.67 1xrr h VAL 83 Ca 0.38 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1xrr h VAL 83 Cb 0.63 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1xrr h VAL 83 CO -0.15 0.11 0.06 -0.33 0.02 0.00 0.00 177.57 177.28 1xrr h GLU 84 N -0.64 0.00 0.24 1.57 4.39 -1.16 0.63 114.58 119.61 1xrr h GLU 84 Ca -0.04 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.32 1xrr h GLU 84 Cb 0.45 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.14 1xrr h GLU 84 CO 0.06 0.00 -1.53 1.49 -1.16 0.00 0.00 179.01 177.87 1xrr h GLU 85 N 0.00 0.52 -0.35 2.33 4.81 -0.88 -2.73 114.58 118.27 1xrr h GLU 85 Ca 0.00 -0.88 -0.04 0.00 -0.13 0.00 0.00 59.36 58.31 1xrr h GLU 85 Cb 0.13 0.33 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1xrr h GLU 85 CO 0.00 1.42 0.06 0.00 -0.73 0.00 0.00 179.01 179.76 1xrr h ALA 86 N 0.14 0.47 0.06 2.92 0.00 0.01 -1.64 119.26 121.21 1xrr h ALA 86 Ca -0.27 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1xrr h ALA 86 Cb 2.16 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1xrr h ALA 86 CO 0.26 0.17 -0.03 1.49 0.00 0.00 0.00 179.25 181.14 1xrr h GLU 87 N 0.42 -0.08 -0.60 0.00 4.57 -1.39 0.15 114.58 117.66 1xrr h GLU 87 Ca 0.11 0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.37 1xrr h GLU 87 Cb 0.35 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 28.89 1xrr h GLU 87 CO 0.01 0.05 0.26 0.00 -1.18 0.00 0.00 179.01 178.15 1xrr h ALA 88 N 0.75 0.78 -0.28 2.92 0.00 -1.43 0.58 119.26 122.59 1xrr h ALA 88 Ca -0.01 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1xrr h ALA 88 Cb 0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1xrr h ALA 88 CO 0.01 -0.12 0.10 1.25 0.00 0.00 0.00 179.25 180.49 1xrr h LEU 89 N 0.48 0.40 -0.08 0.00 6.46 -1.09 0.37 115.31 121.85 1xrr h LEU 89 Ca 0.29 -0.19 0.03 0.00 -0.12 0.00 0.00 57.88 57.89 1xrr h LEU 89 Cb 0.29 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.09 1xrr h LEU 89 CO -0.25 0.48 -0.09 -0.09 -0.62 0.00 0.00 178.44 177.87 1xrr h ARG 90 N 0.29 -0.11 -0.64 1.25 2.43 0.25 0.51 114.38 118.36 1xrr h ARG 90 Ca 0.09 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.21 1xrr h ARG 90 Cb 0.22 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 1xrr h ARG 90 CO -0.00 -0.08 0.18 1.03 -1.51 0.00 0.00 179.97 179.59 1xrr h SER 91 N -0.12 0.92 0.35 -3.80 0.87 0.32 0.85 113.55 112.95 1xrr h SER 91 Ca 0.06 -0.17 -0.27 0.00 -1.23 0.00 0.00 61.79 60.19 1xrr h SER 91 Cb 0.21 -0.24 0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1xrr h SER 91 CO -0.15 0.87 -1.15 0.50 -0.53 0.00 0.00 176.83 176.37 1xrr h LYS 92 N 0.95 0.45 0.04 2.24 3.64 0.19 -0.80 116.57 123.27 1xrr h LYS 92 Ca 0.21 -0.60 -0.27 0.00 -1.27 0.00 0.00 60.65 58.71 1xrr h LYS 92 Cb 0.30 0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 1xrr h LYS 92 CO -0.00 1.24 -1.45 1.25 -2.27 0.00 0.00 179.45 178.22 1xrr h LEU 93 N 0.20 0.12 -0.26 5.20 5.85 0.10 -3.40 115.31 123.12 1xrr h LEU 93 Ca -0.14 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1xrr h LEU 93 Cb 1.83 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.82 1xrr h LEU 93 CO 0.20 1.15 0.00 0.49 -0.34 0.00 0.00 178.44 179.95 1xrr n PHE 94 N -3.27 0.00 0.00 1.25 3.72 0.28 -5.07 117.46 114.37 1xrr n PHE 94 Ca -0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 1xrr n PHE 94 Cb 1.01 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.55 1xrr n PHE 94 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xrr n GLY 95 N 0.56 1.85 0.06 1.37 0.00 -0.31 -3.34 105.19 105.38 1xrr n GLY 95 Ca 0.00 -0.48 0.11 0.00 0.00 0.00 0.00 46.02 45.66 1xrr n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xrr n ASN 96 N 8.18 0.60 -4.69 1.61 3.02 -1.26 -4.21 115.26 118.51 1xrr n ASN 96 Ca 0.00 0.02 -0.54 0.00 -0.03 0.00 0.00 54.58 54.03 1xrr n ASN 96 Cb 0.00 0.83 -0.06 0.00 -0.61 0.00 0.00 39.78 39.94 1xrr n ASN 96 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1xrr n GLU 97 N -2.25 1.42 -1.11 3.52 2.13 -1.21 -4.94 120.64 118.20 1xrr n GLU 97 Ca 0.00 0.52 -0.30 0.00 0.66 0.00 0.00 57.16 58.04 1xrr n GLU 97 Cb 0.49 -2.24 0.13 0.00 0.27 0.00 0.00 31.44 30.10 1xrr n GLU 97 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1xrr s LYS 98 N 3.24 1.50 0.17 5.31 1.02 -1.26 -4.96 119.74 124.75 1xrr s LYS 98 Ca 0.95 1.07 -0.17 0.00 0.02 0.00 0.00 55.97 57.84 1xrr s LYS 98 Cb -0.96 -1.82 0.03 0.00 -0.52 0.00 0.00 37.83 34.57 1xrr s LYS 98 CO 0.60 -2.15 0.48 0.54 -0.92 0.00 0.00 175.35 173.90 1xrr s VAL 99 N -2.85 0.04 -0.34 3.17 0.11 -0.29 -4.86 120.40 115.39 1xrr s VAL 99 Ca 0.63 -0.66 -0.21 0.00 -2.93 0.00 0.00 61.98 58.82 1xrr s VAL 99 Cb -0.19 -1.40 -0.00 0.00 -1.53 0.00 0.00 36.38 33.26 1xrr s VAL 99 CO 0.57 -0.18 0.67 -0.36 -3.33 0.00 0.00 175.10 172.48 1xrr s PHE 100 N -3.84 3.17 -0.12 1.54 0.08 -0.89 -1.78 117.98 116.13 1xrr s PHE 100 Ca 0.07 0.49 -0.17 0.00 0.12 0.00 0.00 56.93 57.44 1xrr s PHE 100 Cb 0.00 -3.14 -0.04 0.00 -0.57 0.00 0.00 43.02 39.27 1xrr s PHE 100 CO -0.07 -0.59 0.44 -1.17 -0.10 0.00 0.00 175.22 173.73 1xrr s LEU 101 N 2.76 4.27 -0.04 -0.37 2.96 -0.79 -0.36 118.68 127.12 1xrr s LEU 101 Ca 0.26 0.76 0.06 0.00 -0.22 0.00 0.00 54.13 54.99 1xrr s LEU 101 Cb -0.14 -2.63 -0.01 0.00 0.50 0.00 0.00 46.19 43.90 1xrr s LEU 101 CO 0.14 0.03 -0.23 -0.32 -1.32 0.00 0.00 176.35 174.65 1xrr s MET 102 N 0.56 2.10 -0.04 1.98 -2.45 0.16 -1.51 119.30 120.10 1xrr s MET 102 Ca 0.24 -0.82 0.02 0.00 -1.25 0.00 0.00 55.69 53.87 1xrr s MET 102 Cb -0.15 -1.90 0.01 0.00 1.25 0.00 0.00 34.83 34.05 1xrr s MET 102 CO 0.09 0.42 -0.07 0.20 1.05 0.00 0.00 175.02 176.71 1xrr s GLY 103 N -0.32 0.51 -0.15 2.11 0.00 -0.42 -0.20 107.32 108.84 1xrr s GLY 103 Ca 0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 44.72 44.52 1xrr s GLY 103 CO 0.01 0.18 -0.07 -0.45 0.00 0.00 0.00 173.10 172.77 1xrr s SER 104 N 0.57 4.49 1.84 1.64 0.15 0.37 -1.94 113.70 120.81 1xrr s SER 104 Ca -0.09 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.35 1xrr s SER 104 Cb -0.12 -1.72 0.00 0.00 -1.71 0.00 0.00 66.02 62.47 1xrr s SER 104 CO 0.01 0.16 0.00 -0.24 1.20 0.00 0.00 173.24 174.37 1xrr n SER 105 N 3.59 0.00 0.04 5.45 2.88 -0.64 -0.19 113.62 124.74 1xrr n SER 105 Ca -0.18 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.39 1xrr n SER 105 Cb 0.52 0.00 0.39 0.00 -0.75 0.00 0.00 64.21 64.37 1xrr n SER 105 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1xrr h TYR 106 N 0.00 0.45 0.00 0.66 5.03 -1.84 0.26 116.97 121.53 1xrr h TYR 106 Ca 0.00 -0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.27 1xrr h TYR 106 Cb 0.00 -0.14 -0.00 0.00 1.55 0.00 0.00 36.73 38.14 1xrr h TYR 106 CO 0.00 0.38 -0.09 0.78 -1.32 0.00 0.00 178.16 177.91 1xrr h GLY 107 N 0.65 0.00 1.00 1.82 0.00 -0.31 0.21 103.07 106.44 1xrr h GLY 107 Ca 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.29 1xrr h GLY 107 CO -0.01 0.00 -0.44 -1.33 0.00 0.00 0.00 176.54 174.76 1xrr h GLY 108 N 0.38 0.77 1.25 4.60 0.00 -0.94 0.35 103.07 109.49 1xrr h GLY 108 Ca -0.00 -0.91 -0.11 0.00 0.00 0.00 0.00 47.33 46.31 1xrr h GLY 108 CO 0.01 0.81 -0.17 0.00 0.00 0.00 0.00 176.54 177.19 1xrr h ALA 109 N 0.62 0.85 -0.01 3.60 0.00 -0.89 -0.72 119.26 122.71 1xrr h ALA 109 Ca 0.01 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1xrr h ALA 109 Cb 1.05 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1xrr h ALA 109 CO 0.10 0.64 0.00 1.25 0.00 0.00 0.00 179.25 181.24 1xrr h LEU 110 N 0.76 0.02 -0.78 0.00 5.85 -0.59 -1.81 115.31 118.76 1xrr h LEU 110 Ca 0.11 -0.20 0.11 0.00 0.84 0.00 0.00 57.88 58.74 1xrr h LEU 110 Cb 0.70 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.65 1xrr h LEU 110 CO 0.05 0.22 0.41 0.00 -0.34 0.00 0.00 178.44 178.78 1xrr h ALA 111 N 0.80 1.12 -0.50 1.25 0.00 -0.05 0.43 119.26 122.32 1xrr h ALA 111 Ca 0.00 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1xrr h ALA 111 Cb 0.21 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1xrr h ALA 111 CO -0.00 -0.02 0.32 -0.07 0.00 0.00 0.00 179.25 179.48 1xrr h LEU 112 N 0.66 0.54 -1.22 0.00 3.38 -0.85 -0.24 115.31 117.57 1xrr h LEU 112 Ca 0.40 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.32 1xrr h LEU 112 Cb 0.45 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1xrr h LEU 112 CO -0.29 0.39 0.11 0.00 0.09 0.00 0.00 178.44 178.74 1xrr h ALA 113 N 1.19 1.38 0.13 1.53 0.00 -0.37 -2.07 119.26 121.06 1xrr h ALA 113 Ca 0.19 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1xrr h ALA 113 Cb -0.05 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1xrr h ALA 113 CO -0.05 0.45 -0.06 -0.92 0.00 0.00 0.00 179.25 178.66 1xrr h TYR 114 N 0.63 -0.16 -0.85 0.00 3.20 -0.21 -3.11 116.97 116.48 1xrr h TYR 114 Ca 0.15 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.14 1xrr h TYR 114 Cb 0.23 0.05 -0.08 0.00 1.54 0.00 0.00 36.73 38.47 1xrr h TYR 114 CO 0.01 0.10 0.47 0.00 -1.64 0.00 0.00 178.16 177.10 1xrr h ALA 115 N 0.42 1.26 -0.40 1.82 0.00 -0.74 0.57 119.26 122.19 1xrr h ALA 115 Ca -0.02 0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.07 1xrr h ALA 115 Cb 0.33 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1xrr h ALA 115 CO 0.03 0.01 0.31 0.28 0.00 0.00 0.00 179.25 179.88 1xrr h VAL 116 N 0.72 0.70 0.00 0.00 2.07 -1.31 -2.04 116.25 116.39 1xrr h VAL 116 Ca 0.44 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 67.69 1xrr h VAL 116 Cb 0.53 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 1xrr h VAL 116 CO -0.31 0.00 -1.96 1.17 0.02 0.00 0.00 177.57 176.49 1xrr n LYS 117 N -4.26 0.40 -2.32 1.57 4.81 -0.22 -4.78 118.16 113.36 1xrr n LYS 117 Ca 0.07 0.12 -0.26 0.00 -0.87 0.00 0.00 58.31 57.36 1xrr n LYS 117 Cb 0.50 -1.26 0.01 0.00 0.02 0.00 0.00 35.03 34.30 1xrr n LYS 117 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1xrr n TYR 118 N -3.28 3.20 0.42 5.64 4.01 0.18 -4.75 117.16 122.59 1xrr n TYR 118 Ca -0.31 -2.83 0.13 0.00 -0.16 0.00 0.00 57.90 54.73 1xrr n TYR 118 Cb 0.79 -0.19 0.49 0.00 -0.31 0.00 0.00 39.34 40.11 1xrr n TYR 118 CO 0.00 0.00 0.00 -0.56 -0.46 0.00 0.00 176.86 175.84 1xrr h GLN 119 N 2.46 0.00 0.00 -0.72 3.07 -1.52 -2.60 115.11 115.80 1xrr h GLN 119 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.07 1xrr h GLN 119 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.66 1xrr h GLN 119 CO 0.84 0.00 0.00 0.38 0.09 0.00 0.00 178.83 180.14 1xrr h ASP 120 N 0.00 0.00 -0.49 0.06 3.04 -1.86 -0.46 116.42 116.72 1xrr h ASP 120 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1xrr h ASP 120 Cb 0.51 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.80 1xrr h ASP 120 CO 0.00 0.00 0.00 1.41 -2.04 0.00 0.00 179.24 178.61 1xrr n HIS 121 N -2.55 0.64 -4.38 4.15 8.25 -0.98 -4.93 115.22 115.42 1xrr n HIS 121 Ca 0.00 -0.32 -0.28 0.00 -0.26 0.00 0.00 57.72 56.86 1xrr n HIS 121 Cb 0.19 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.17 1xrr n HIS 121 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1xrr s LEU 122 N -1.35 2.32 -0.09 2.41 1.43 -0.18 -1.13 118.68 122.09 1xrr s LEU 122 Ca 0.42 -0.75 0.13 0.00 -1.03 0.00 0.00 54.13 52.90 1xrr s LEU 122 Cb 0.24 -1.19 -0.19 0.00 0.03 0.00 0.00 46.19 45.07 1xrr s LEU 122 CO 0.32 0.17 0.16 0.29 0.23 0.00 0.00 176.35 177.52 1xrr n LYS 123 N 0.90 1.22 -3.47 1.70 5.02 -0.73 -4.79 118.16 118.01 1xrr n LYS 123 Ca -0.18 -0.06 -0.12 0.00 -2.02 0.00 0.00 58.31 55.94 1xrr n LYS 123 Cb 0.53 -1.35 -0.03 0.00 -0.02 0.00 0.00 35.03 34.17 1xrr n LYS 123 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1xrr s GLY 124 N -4.26 -0.55 -0.07 0.72 0.00 -1.26 -3.96 107.32 97.94 1xrr s GLY 124 Ca -0.06 0.83 0.02 0.00 0.00 0.00 0.00 44.72 45.51 1xrr s GLY 124 CO 0.58 0.36 -0.10 -2.27 0.00 0.00 0.00 173.10 171.66 1xrr s LEU 125 N -2.39 1.53 -0.23 0.66 2.96 -0.43 -1.88 118.68 118.90 1xrr s LEU 125 Ca 0.01 -0.28 0.02 0.00 -0.22 0.00 0.00 54.13 53.66 1xrr s LEU 125 Cb -0.01 -0.78 0.04 0.00 0.50 0.00 0.00 46.19 45.95 1xrr s LEU 125 CO -0.08 -0.00 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.17 1xrr s ILE 126 N 0.86 2.09 -0.23 6.68 1.01 -0.57 0.79 121.20 131.84 1xrr s ILE 126 Ca -0.11 -1.34 -0.04 0.00 0.00 0.00 0.00 60.65 59.16 1xrr s ILE 126 Cb -0.15 -2.09 -0.01 0.00 0.01 0.00 0.00 42.46 40.23 1xrr s ILE 126 CO 0.01 0.19 -0.03 -0.69 0.00 0.00 0.00 174.94 174.43 1xrr s VAL 127 N 1.19 3.45 -0.27 2.92 1.01 0.78 -1.30 120.40 128.17 1xrr s VAL 127 Ca -0.03 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.43 1xrr s VAL 127 Cb -0.17 -2.60 0.05 0.00 0.00 0.00 0.00 36.38 33.66 1xrr s VAL 127 CO -0.08 0.38 -0.06 -0.44 0.00 0.00 0.00 175.10 174.89 1xrr s SER 128 N 1.48 4.58 -1.56 3.32 0.01 -0.82 -0.18 113.70 120.53 1xrr s SER 128 Ca 0.05 -1.29 0.00 0.00 1.31 0.00 0.00 55.95 56.03 1xrr s SER 128 Cb -0.15 -1.62 0.00 0.00 0.21 0.00 0.00 66.02 64.46 1xrr s SER 128 CO -0.02 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.03 1xrr n GLY 129 N 4.53 0.83 0.09 3.44 0.00 0.06 -1.61 105.19 112.53 1xrr n GLY 129 Ca -0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 46.02 45.63 1xrr n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xrr n GLY 130 N -1.01 -0.69 3.50 -0.02 0.00 -1.26 -3.63 105.19 102.08 1xrr n GLY 130 Ca -0.17 -1.74 -0.13 0.00 0.00 0.00 0.00 46.02 43.98 1xrr n GLY 130 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1xrr s LEU 131 N 0.00 -0.53 -0.01 0.99 2.34 -1.26 -4.67 118.68 115.54 1xrr s LEU 131 Ca 0.02 0.33 0.11 0.00 0.06 0.00 0.00 54.13 54.65 1xrr s LEU 131 Cb -0.00 2.34 -0.14 0.00 -0.56 0.00 0.00 46.19 47.82 1xrr s LEU 131 CO 0.01 -0.66 0.39 -1.54 -1.06 0.00 0.00 176.35 173.49 1xrr n SER 132 N 0.30 1.20 -3.69 1.48 3.41 -1.26 -3.72 113.62 111.34 1xrr n SER 132 Ca -0.15 -0.48 -0.20 0.00 -0.26 0.00 0.00 58.87 57.78 1xrr n SER 132 Cb 0.60 1.20 -0.18 0.00 -0.26 0.00 0.00 64.21 65.57 1xrr n SER 132 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1xrr s SER 133 N -2.53 1.15 -0.01 4.04 0.15 -1.26 -0.69 113.70 114.54 1xrr s SER 133 Ca 0.01 0.05 -0.25 0.00 0.70 0.00 0.00 55.95 56.46 1xrr s SER 133 Cb 0.08 -0.18 -0.19 0.00 -1.71 0.00 0.00 66.02 64.01 1xrr s SER 133 CO 0.47 -0.23 1.32 0.58 1.20 0.00 0.00 173.24 176.58 1xrr h VAL 134 N 6.41 1.35 -0.60 4.45 2.07 -1.53 -2.73 116.25 125.68 1xrr h VAL 134 Ca -0.15 -1.03 0.12 0.00 0.82 0.00 0.00 66.70 66.46 1xrr h VAL 134 Cb 1.12 2.02 -0.10 0.00 -1.52 0.00 0.00 31.29 32.81 1xrr h VAL 134 CO 0.19 0.27 -0.00 -0.65 0.02 0.00 0.00 177.57 177.40 1xrr h PRO 135 N -0.41 0.11 -0.10 1.57 0.11 -1.73 0.88 132.00 132.44 1xrr h PRO 135 Ca 0.00 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.12 1xrr h PRO 135 Cb 0.44 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 1xrr h PRO 135 CO 0.00 0.07 0.01 1.25 -0.21 0.00 0.00 178.00 179.13 1xrr h LEU 136 N 0.12 -0.01 -1.50 2.35 5.85 -1.93 -0.18 115.31 120.00 1xrr h LEU 136 Ca 0.31 0.02 0.13 0.00 0.84 0.00 0.00 57.88 59.18 1xrr h LEU 136 Cb 0.50 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 1xrr h LEU 136 CO -0.51 0.01 0.51 0.74 -0.34 0.00 0.00 178.44 178.85 1xrr h THR 137 N 0.05 0.83 0.05 1.05 2.02 -0.91 -1.52 112.91 114.49 1xrr h THR 137 Ca 0.04 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 1xrr h THR 137 Cb 0.04 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 1xrr h THR 137 CO -0.07 0.09 -0.02 0.58 0.37 0.00 0.00 175.52 176.47 1xrr h VAL 138 N 0.51 1.26 -0.88 3.16 2.07 0.35 -2.48 116.25 120.24 1xrr h VAL 138 Ca 0.37 -1.08 0.06 0.00 0.82 0.00 0.00 66.70 66.87 1xrr h VAL 138 Cb 0.73 1.97 -0.06 0.00 -1.52 0.00 0.00 31.29 32.42 1xrr h VAL 138 CO -0.13 0.27 0.58 0.07 0.02 0.00 0.00 177.57 178.37 1xrr h LYS 139 N -0.55 0.99 0.06 1.57 2.10 -0.50 -1.01 116.57 119.22 1xrr h LYS 139 Ca -0.01 -0.06 -0.00 0.00 -2.00 0.00 0.00 60.65 58.58 1xrr h LYS 139 Cb 0.49 -0.22 0.00 0.00 -0.90 0.00 0.00 32.23 31.60 1xrr h LYS 139 CO 0.01 0.65 -0.03 0.93 -2.00 0.00 0.00 179.45 179.01 1xrr h GLU 140 N 1.02 -0.08 -0.94 0.07 4.39 -1.31 -2.50 114.58 115.23 1xrr h GLU 140 Ca 0.37 0.01 0.10 0.00 0.34 0.00 0.00 59.36 60.18 1xrr h GLU 140 Cb 0.16 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 28.75 1xrr h GLU 140 CO -0.13 0.14 0.58 0.52 -1.16 0.00 0.00 179.01 178.96 1xrr h MET 141 N -0.30 0.94 -0.81 2.33 2.86 -1.09 0.35 114.93 119.22 1xrr h MET 141 Ca -0.01 -0.06 0.11 0.00 -2.06 0.00 0.00 59.70 57.69 1xrr h MET 141 Cb 0.26 -0.21 -0.08 0.00 0.06 0.00 0.00 31.60 31.63 1xrr h MET 141 CO 0.01 0.62 0.43 -0.91 1.06 0.00 0.00 176.91 178.12 1xrr h ASN 142 N 0.96 0.57 -0.91 1.22 -0.26 -0.83 0.33 115.58 116.66 1xrr h ASN 142 Ca 0.45 0.07 0.01 0.00 -0.56 0.00 0.00 56.30 56.27 1xrr h ASN 142 Cb 0.39 -0.03 -0.05 0.00 -1.06 0.00 0.00 38.32 37.57 1xrr h ASN 142 CO -0.24 0.30 0.60 -0.09 -1.06 0.00 0.00 177.43 176.93 1xrr h ARG 143 N 0.69 1.21 -0.83 0.81 2.43 -0.53 -0.55 114.38 117.60 1xrr h ARG 143 Ca 0.41 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1xrr h ARG 143 Cb 0.47 -0.27 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 1xrr h ARG 143 CO -0.29 0.81 0.52 -0.07 -1.51 0.00 0.00 179.97 179.42 1xrr h LEU 144 N 1.24 0.99 -0.28 3.80 -0.00 0.37 -1.07 115.31 120.36 1xrr h LEU 144 Ca 0.33 -0.05 -0.03 0.00 -0.00 0.00 0.00 57.88 58.13 1xrr h LEU 144 Cb -0.13 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 40.27 1xrr h LEU 144 CO -0.07 0.75 0.06 0.40 -0.00 0.00 0.00 178.44 179.58 1xrr h ILE 145 N 1.14 1.22 0.00 1.22 2.04 0.12 -1.35 117.51 121.89 1xrr h ILE 145 Ca 0.30 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1xrr h ILE 145 Cb -0.07 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1xrr h ILE 145 CO -0.06 0.24 0.00 0.44 0.00 0.00 0.00 178.15 178.77 1xrr h ASP 146 N 0.29 0.00 0.33 1.72 3.32 -0.79 0.07 116.42 121.36 1xrr h ASP 146 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1xrr h ASP 146 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1xrr h ASP 146 CO 0.00 0.00 -0.29 -0.62 -1.72 0.00 0.00 179.24 176.61 1xrr n GLU 147 N -2.52 0.60 -2.10 3.56 1.02 -0.43 -4.90 120.64 115.86 1xrr n GLU 147 Ca 0.00 -0.33 -0.28 0.00 -0.02 0.00 0.00 57.16 56.54 1xrr n GLU 147 Cb 0.17 -1.49 0.06 0.00 -0.02 0.00 0.00 31.44 30.16 1xrr n GLU 147 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1xrr s LEU 148 N -2.63 2.85 0.35 -4.62 1.43 0.01 -5.01 118.68 111.06 1xrr s LEU 148 Ca 0.21 0.74 -0.28 0.00 -1.03 0.00 0.00 54.13 53.77 1xrr s LEU 148 Cb 0.19 -3.42 -0.12 0.00 0.03 0.00 0.00 46.19 42.87 1xrr s LEU 148 CO 0.56 -1.50 1.32 -2.65 0.23 0.00 0.00 176.35 174.31 1xrr n PRO 149 N -2.96 2.21 -0.32 1.29 -0.02 -1.26 -4.63 135.00 129.30 1xrr n PRO 149 Ca 0.07 0.77 0.13 0.00 -2.02 0.00 0.00 63.50 62.45 1xrr n PRO 149 Cb 0.59 -2.38 0.27 0.00 -0.02 0.00 0.00 33.50 31.96 1xrr n PRO 149 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xrr h ALA 150 N 2.62 1.11 -0.51 3.55 0.00 -1.94 0.82 119.26 124.90 1xrr h ALA 150 Ca -0.47 0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1xrr h ALA 150 Cb 1.28 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 19.58 1xrr h ALA 150 CO 0.63 -0.53 0.34 -0.22 0.00 0.00 0.00 179.25 179.46 1xrr h LYS 151 N 0.05 0.67 -0.04 0.00 3.64 -1.98 0.17 116.57 119.07 1xrr h LYS 151 Ca 0.56 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.75 1xrr h LYS 151 Cb 1.13 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 1xrr h LYS 151 CO -0.85 0.44 -0.67 1.88 -2.27 0.00 0.00 179.45 177.98 1xrr h TYR 152 N 0.69 0.24 -0.20 1.91 0.99 -1.40 -0.95 116.97 118.23 1xrr h TYR 152 Ca 0.19 -0.10 -0.12 0.00 2.00 0.00 0.00 58.73 60.69 1xrr h TYR 152 Cb -0.07 -0.04 0.00 0.00 1.00 0.00 0.00 36.73 37.62 1xrr h TYR 152 CO -0.04 0.79 -0.36 -0.09 -0.00 0.00 0.00 178.16 178.46 1xrr h ARG 153 N 0.12 0.60 0.00 4.88 2.43 -0.52 -2.36 114.38 119.54 1xrr h ARG 153 Ca -0.01 -0.38 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 1xrr h ARG 153 Cb 1.20 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1xrr h ARG 153 CO 0.10 0.99 0.00 -0.44 -1.51 0.00 0.00 179.97 179.11 1xrr h ASP 154 N 0.29 0.00 0.90 -3.80 3.32 -0.66 -2.59 116.42 113.88 1xrr h ASP 154 Ca 0.01 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.84 1xrr h ASP 154 Cb 0.95 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.48 1xrr h ASP 154 CO 0.08 0.00 -1.10 0.00 -1.72 0.00 0.00 179.24 176.50 1xrr h ALA 155 N 2.13 0.34 -0.08 3.45 0.00 -1.13 -1.21 119.26 122.77 1xrr h ALA 155 Ca 0.00 -0.95 -0.24 0.00 0.00 0.00 0.00 54.91 53.72 1xrr h ALA 155 Cb 0.83 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.56 1xrr h ALA 155 CO 0.00 1.23 -0.89 0.82 0.00 0.00 0.00 179.25 180.41 1xrr h ILE 156 N 0.01 1.30 -0.01 0.00 2.04 -1.27 -1.51 117.51 118.06 1xrr h ILE 156 Ca -0.05 -2.13 -0.15 0.00 1.00 0.00 0.00 64.86 63.53 1xrr h ILE 156 Cb 1.82 2.18 0.01 0.00 -0.74 0.00 0.00 36.82 40.09 1xrr h ILE 156 CO 0.14 0.66 -0.59 0.11 0.00 0.00 0.00 178.15 178.47 1xrr h LYS 157 N 0.44 0.42 0.51 2.37 1.57 -1.54 -1.06 116.57 119.27 1xrr h LYS 157 Ca -0.08 -0.44 -0.02 0.00 -1.87 0.00 0.00 60.65 58.24 1xrr h LYS 157 Cb 1.52 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.96 1xrr h LYS 157 CO 0.17 1.10 -0.24 -0.22 -0.57 0.00 0.00 179.45 179.69 1xrr h LYS 158 N -0.09 -0.66 0.00 3.15 3.64 -1.28 -2.38 116.57 118.96 1xrr h LYS 158 Ca -0.07 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1xrr h LYS 158 Cb 1.30 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.27 1xrr h LYS 158 CO 0.12 -0.35 -0.04 1.88 -2.27 0.00 0.00 179.45 178.79 1xrr h TYR 159 N -0.93 0.00 0.09 1.91 -1.99 -1.42 -3.26 116.97 111.37 1xrr h TYR 159 Ca -0.07 0.00 -0.27 0.00 2.00 0.00 0.00 58.73 60.39 1xrr h TYR 159 Cb 0.61 0.00 0.02 0.00 2.00 0.00 0.00 36.73 39.35 1xrr h TYR 159 CO 0.00 0.00 -1.16 0.78 -0.00 0.00 0.00 178.16 177.78 1xrr h GLY 160 N 4.22 0.57 2.00 3.88 0.00 -1.24 0.05 103.07 112.55 1xrr h GLY 160 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 47.33 46.17 1xrr h GLY 160 CO 0.00 1.02 0.00 1.44 0.00 0.00 0.00 176.54 179.00 1xrr n SER 161 N -3.73 0.30 -0.09 0.19 7.64 -0.90 -2.04 113.62 115.00 1xrr n SER 161 Ca -0.11 0.59 0.07 0.00 1.01 0.00 0.00 58.87 60.42 1xrr n SER 161 Cb 0.95 -0.64 -0.06 0.00 -1.01 0.00 0.00 64.21 63.45 1xrr n SER 161 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1xrr n SER 162 N -1.84 0.87 -0.27 6.43 2.88 -1.20 -4.97 113.62 115.52 1xrr n SER 162 Ca 0.02 -0.94 -0.03 0.00 -1.33 0.00 0.00 58.87 56.59 1xrr n SER 162 Cb 0.16 0.86 -0.01 0.00 -0.75 0.00 0.00 64.21 64.46 1xrr n SER 162 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xrr n GLY 163 N 1.25 0.65 2.43 0.46 0.00 -0.86 -4.91 105.19 104.20 1xrr n GLY 163 Ca 0.03 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 1xrr n GLY 163 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xrr n SER 164 N 0.66 8.09 0.20 1.61 7.64 -0.02 -4.65 113.62 127.14 1xrr n SER 164 Ca -0.03 -3.00 0.15 0.00 1.01 0.00 0.00 58.87 56.99 1xrr n SER 164 Cb 0.16 -1.40 0.62 0.00 -1.01 0.00 0.00 64.21 62.58 1xrr n SER 164 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 1xrr h TYR 165 N 4.57 0.00 0.00 1.43 -1.99 -1.91 -2.20 116.97 116.87 1xrr h TYR 165 Ca 0.72 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 61.42 1xrr h TYR 165 Cb 0.34 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.07 1xrr h TYR 165 CO 1.67 0.00 -0.15 0.93 -0.00 0.00 0.00 178.16 180.61 1xrr h GLU 166 N 0.00 0.00 -6.20 4.88 3.07 -1.95 -3.40 114.58 110.98 1xrr h GLU 166 Ca 0.00 0.00 -0.71 0.00 -0.50 0.00 0.00 59.36 58.15 1xrr h GLU 166 Cb 0.39 0.00 0.05 0.00 -0.84 0.00 0.00 28.75 28.35 1xrr h GLU 166 CO 0.00 0.15 0.37 -1.71 -1.40 0.00 0.00 179.01 176.41 1xrr n ASN 167 N -3.17 1.25 -0.16 1.42 5.15 -0.83 -4.78 115.26 114.14 1xrr n ASN 167 Ca 0.02 1.13 -0.04 0.00 -0.60 0.00 0.00 54.58 55.09 1xrr n ASN 167 Cb 0.52 -1.12 0.05 0.00 -0.53 0.00 0.00 39.78 38.71 1xrr n ASN 167 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1xrr h PRO 168 N 4.23 0.39 -0.45 1.20 0.13 -1.90 0.11 132.00 135.72 1xrr h PRO 168 Ca -0.48 -0.02 0.03 0.00 -0.87 0.00 0.00 66.00 64.65 1xrr h PRO 168 Cb 1.36 -0.09 -0.04 0.00 0.13 0.00 0.00 31.00 32.37 1xrr h PRO 168 CO 0.75 0.26 0.24 0.93 -0.23 0.00 0.00 178.00 179.95 1xrr h GLU 169 N 0.40 0.47 -0.42 0.86 5.08 -1.97 -0.17 114.58 118.83 1xrr h GLU 169 Ca 0.23 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.60 1xrr h GLU 169 Cb 0.20 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 1xrr h GLU 169 CO -0.20 0.31 0.19 -0.92 -1.00 0.00 0.00 179.01 177.39 1xrr h TYR 170 N 0.48 0.35 -0.62 4.33 3.20 -1.66 -1.70 116.97 121.36 1xrr h TYR 170 Ca 0.19 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.16 1xrr h TYR 170 Cb 0.07 -0.10 -0.07 0.00 1.54 0.00 0.00 36.73 38.17 1xrr h TYR 170 CO -0.09 0.17 0.26 1.96 -1.64 0.00 0.00 178.16 178.82 1xrr h GLN 171 N 0.39 0.45 0.07 1.82 1.08 -0.08 -0.83 115.11 118.01 1xrr h GLN 171 Ca 0.19 -0.03 0.02 0.00 -1.45 0.00 0.00 58.65 57.38 1xrr h GLN 171 Cb 0.12 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 27.41 1xrr h GLN 171 CO -0.15 0.30 -0.24 0.93 -0.95 0.00 0.00 178.83 178.72 1xrr h GLU 172 N 0.47 -0.39 -0.64 1.46 5.08 -0.20 -0.58 114.58 119.78 1xrr h GLU 172 Ca 0.31 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.80 1xrr h GLU 172 Cb 0.34 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 1xrr h GLU 172 CO -0.28 -0.26 0.43 0.00 -1.00 0.00 0.00 179.01 177.90 1xrr h ALA 173 N 0.39 2.03 0.18 3.43 0.00 -0.61 -0.05 119.26 124.63 1xrr h ALA 173 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1xrr h ALA 173 Cb 0.46 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1xrr h ALA 173 CO -0.17 -0.17 -0.09 0.28 0.00 0.00 0.00 179.25 179.10 1xrr h VAL 174 N 0.42 0.89 -0.35 0.00 2.07 -0.15 -2.33 116.25 116.81 1xrr h VAL 174 Ca 0.30 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 1xrr h VAL 174 Cb 0.60 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 1xrr h VAL 174 CO -0.09 0.20 0.13 -1.13 0.02 0.00 0.00 177.57 176.70 1xrr h ASN 175 N -0.76 0.44 -0.18 0.57 -0.73 -0.75 -0.29 115.58 113.88 1xrr h ASN 175 Ca -0.03 -0.04 -0.01 0.00 1.87 0.00 0.00 56.30 58.09 1xrr h ASN 175 Cb 0.51 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 38.98 1xrr h ASN 175 CO 0.04 0.42 0.07 0.22 -0.37 0.00 0.00 177.43 177.80 1xrr h TYR 176 N 0.49 0.28 -0.58 0.67 3.20 -1.04 -0.80 116.97 119.20 1xrr h TYR 176 Ca 0.12 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.03 1xrr h TYR 176 Cb 0.12 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.25 1xrr h TYR 176 CO 0.00 0.36 0.28 0.35 -1.64 0.00 0.00 178.16 177.51 1xrr h PHE 177 N 0.13 0.51 -0.32 -3.82 3.04 -0.81 -2.63 116.94 113.04 1xrr h PHE 177 Ca 0.06 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.01 1xrr h PHE 177 Cb 0.20 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.55 1xrr h PHE 177 CO -0.01 0.22 0.11 1.88 -2.02 0.00 0.00 178.31 178.50 1xrr h TYR 178 N 0.52 0.49 0.00 0.41 -1.99 -0.81 0.27 116.97 115.87 1xrr h TYR 178 Ca 0.27 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.96 1xrr h TYR 178 Cb 0.22 -0.15 0.00 0.00 2.00 0.00 0.00 36.73 38.80 1xrr h TYR 178 CO -0.11 0.48 0.00 0.72 -0.00 0.00 0.00 178.16 179.25 1xrr n HIS 179 N -4.71 0.00 0.00 4.88 8.25 -0.33 -0.36 115.22 122.96 1xrr n HIS 179 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1xrr n HIS 179 Cb 0.15 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.26 1xrr n HIS 179 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1xrr n GLN 180 N -0.48 1.38 0.00 -0.41 -0.06 -0.58 -4.47 117.38 112.76 1xrr n GLN 180 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1xrr n GLN 180 Cb 0.00 -0.84 0.00 0.00 -4.06 0.00 0.00 30.24 25.35 1xrr n GLN 180 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 1xrr n HIS 181 N -1.83 0.00 -0.13 3.69 8.25 0.87 -4.83 115.22 121.23 1xrr n HIS 181 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.20 1xrr n HIS 181 Cb 0.34 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.36 1xrr n HIS 181 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1xrr n LEU 182 N -0.64 1.96 -3.65 2.41 7.94 0.52 -1.57 117.00 123.95 1xrr n LEU 182 Ca 0.00 0.34 -0.04 0.00 -1.11 0.00 0.00 56.01 55.20 1xrr n LEU 182 Cb 0.00 -0.81 -0.06 0.00 0.53 0.00 0.00 43.42 43.08 1xrr n LEU 182 CO 0.00 0.41 0.16 -0.22 -1.11 0.00 0.00 177.39 176.63 1xrr s LEU 183 N -7.59 -0.92 -1.14 -1.96 0.20 0.34 -0.41 118.68 107.20 1xrr s LEU 183 Ca -0.37 1.32 -0.10 0.00 0.69 0.00 0.00 54.13 55.68 1xrr s LEU 183 Cb 0.13 1.89 0.26 0.00 -0.43 0.00 0.00 46.19 48.04 1xrr s LEU 183 CO 0.48 -0.23 1.21 0.54 -0.29 0.00 0.00 176.35 178.07 1xrr n ARG 184 N 5.39 3.57 -3.53 1.98 1.74 -1.26 -4.01 116.66 120.55 1xrr n ARG 184 Ca -0.11 -4.33 -0.16 0.00 -0.77 0.00 0.00 57.85 52.48 1xrr n ARG 184 Cb 0.49 -2.65 -0.05 0.00 -1.02 0.00 0.00 32.46 29.23 1xrr n ARG 184 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1xrr s SER 185 N 1.40 -0.58 0.04 0.55 1.04 -1.26 -5.01 113.70 109.88 1xrr s SER 185 Ca 0.33 0.57 -0.11 0.00 0.48 0.00 0.00 55.95 57.23 1xrr s SER 185 Cb -0.07 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 1xrr s SER 185 CO -0.05 -0.57 1.18 1.05 0.98 0.00 0.00 173.24 175.82 1xrr h GLU 186 N 2.80 -0.17 -4.95 4.02 4.11 -1.99 -3.40 114.58 115.00 1xrr h GLU 186 Ca -0.25 0.01 -0.67 0.00 0.07 0.00 0.00 59.36 58.52 1xrr h GLU 186 Cb 1.16 0.04 -0.34 0.00 0.50 0.00 0.00 28.75 30.11 1xrr h GLU 186 CO 0.37 -0.12 -0.80 0.16 0.07 0.00 0.00 179.01 178.69 1xrr s ASP 187 N -3.33 3.95 0.36 3.06 -4.77 -1.26 -5.11 116.67 109.57 1xrr s ASP 187 Ca -0.05 -0.93 -0.28 0.00 -3.30 0.00 0.00 52.55 47.99 1xrr s ASP 187 Cb 0.02 -1.57 -0.10 0.00 -1.09 0.00 0.00 42.92 40.18 1xrr s ASP 187 CO 0.20 -0.10 1.29 0.26 0.70 0.00 0.00 175.17 177.52 1xrr s TRP 188 N 1.25 3.00 0.52 2.11 0.51 -1.26 -4.98 118.94 120.10 1xrr s TRP 188 Ca -0.01 1.43 -0.21 0.00 -2.12 0.00 0.00 56.10 55.19 1xrr s TRP 188 Cb -0.16 -3.65 -0.06 0.00 -0.81 0.00 0.00 33.47 28.80 1xrr s TRP 188 CO -0.07 -1.85 1.22 -1.25 -0.51 0.00 0.00 176.95 174.49 1xrr s PRO 189 N -1.95 3.35 0.36 4.98 0.04 -1.26 -4.86 135.00 135.67 1xrr s PRO 189 Ca 0.52 1.89 0.13 0.00 0.04 0.00 0.00 61.00 63.58 1xrr s PRO 189 Cb -0.38 -2.20 0.96 0.00 0.04 0.00 0.00 34.50 32.92 1xrr s PRO 189 CO 0.50 -0.92 1.78 -1.35 0.04 0.00 0.00 177.00 177.05 1xrr h PRO 190 N 1.51 0.52 -0.82 0.56 0.11 -1.99 -1.05 132.00 130.83 1xrr h PRO 190 Ca -0.50 -0.03 0.12 0.00 0.11 0.00 0.00 66.00 65.70 1xrr h PRO 190 Cb 1.28 -0.12 -0.08 0.00 0.11 0.00 0.00 31.00 32.18 1xrr h PRO 190 CO 0.58 0.34 0.43 0.93 -0.21 0.00 0.00 178.00 180.07 1xrr h GLU 191 N 0.53 0.64 0.19 1.05 3.07 -1.90 -1.46 114.58 116.70 1xrr h GLU 191 Ca 0.58 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.39 1xrr h GLU 191 Cb 1.24 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 1xrr h GLU 191 CO -0.33 0.42 -0.09 0.28 -1.40 0.00 0.00 179.01 177.89 1xrr h VAL 192 N 0.66 0.90 -0.51 3.13 2.07 -1.47 -2.76 116.25 118.27 1xrr h VAL 192 Ca 0.43 -0.84 0.15 0.00 0.82 0.00 0.00 66.70 67.25 1xrr h VAL 192 Cb 0.53 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1xrr h VAL 192 CO -0.32 0.18 0.44 -0.07 0.02 0.00 0.00 177.57 177.82 1xrr h LEU 193 N -0.70 0.00 -0.08 2.57 3.38 -1.26 0.28 115.31 119.50 1xrr h LEU 193 Ca -0.03 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.70 1xrr h LEU 193 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1xrr h LEU 193 CO 0.04 0.00 -1.04 0.50 0.09 0.00 0.00 178.44 178.04 1xrr h LYS 194 N 0.00 0.38 -0.43 1.13 3.64 -1.26 -0.70 116.57 119.33 1xrr h LYS 194 Ca 0.24 -0.46 -0.08 0.00 -1.27 0.00 0.00 60.65 59.07 1xrr h LYS 194 Cb 1.12 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 33.06 1xrr h LYS 194 CO -0.00 1.15 -0.07 0.77 -2.27 0.00 0.00 179.45 179.03 1xrr h SER 195 N 0.19 0.71 -0.29 4.20 0.02 -0.90 0.27 113.55 117.75 1xrr h SER 195 Ca -0.10 -0.19 -0.15 0.00 -0.84 0.00 0.00 61.79 60.51 1xrr h SER 195 Cb 1.70 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 64.05 1xrr h SER 195 CO 0.18 0.82 -0.40 -0.07 -1.14 0.00 0.00 176.83 176.22 1xrr h LEU 196 N 0.67 0.86 -1.20 5.07 3.38 -1.37 -1.65 115.31 121.08 1xrr h LEU 196 Ca 0.12 -0.50 0.01 0.00 0.09 0.00 0.00 57.88 57.60 1xrr h LEU 196 Cb 0.52 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 1xrr h LEU 196 CO 0.03 1.20 0.54 -0.33 0.09 0.00 0.00 178.44 179.97 1xrr h GLU 197 N 0.55 1.08 -0.23 1.13 4.39 -0.45 -2.27 114.58 118.78 1xrr h GLU 197 Ca 0.03 -0.07 -0.09 0.00 0.34 0.00 0.00 59.36 59.58 1xrr h GLU 197 Cb 1.00 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 29.40 1xrr h GLU 197 CO 0.09 0.71 -0.22 1.88 -1.16 0.00 0.00 179.01 180.32 1xrr h TYR 198 N 1.11 0.65 -0.63 4.33 0.05 -0.25 -1.62 116.97 120.62 1xrr h TYR 198 Ca 0.30 -0.20 0.09 0.00 0.05 0.00 0.00 58.73 58.98 1xrr h TYR 198 Cb -0.13 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 37.44 1xrr h TYR 198 CO 0.00 0.88 0.42 0.00 -1.05 0.00 0.00 178.16 178.41 1xrr h ALA 199 N 0.66 1.96 0.00 3.88 0.00 -0.94 -0.18 119.26 124.64 1xrr h ALA 199 Ca 0.04 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1xrr h ALA 199 Cb 0.77 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1xrr h ALA 199 CO 0.05 -0.10 -0.92 1.49 0.00 0.00 0.00 179.25 179.78 1xrr h GLU 200 N 0.47 0.00 0.06 0.00 4.81 -1.29 -3.37 114.58 115.25 1xrr h GLU 200 Ca 0.29 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.42 1xrr h GLU 200 Cb 0.50 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.89 1xrr h GLU 200 CO -0.08 0.61 -0.43 0.00 -0.73 0.00 0.00 179.01 178.37 1xrr h ARG 201 N 0.00 0.19 0.00 1.92 -0.00 -0.20 -3.47 114.38 112.82 1xrr h ARG 201 Ca -0.06 -0.28 -0.31 0.00 -0.50 0.00 0.00 59.98 58.83 1xrr h ARG 201 Cb 1.59 0.10 0.13 0.00 0.00 0.00 0.00 29.97 31.79 1xrr h ARG 201 CO 0.08 1.09 0.26 0.54 0.00 0.00 0.00 179.97 181.94 1xrr n ARG 202 N -4.36 -1.36 0.00 0.04 5.12 -0.21 -5.03 116.66 110.87 1xrr n ARG 202 Ca -0.12 -1.46 0.06 0.00 -1.93 0.00 0.00 57.85 54.41 1xrr n ARG 202 Cb 0.64 -1.06 -0.06 0.00 -1.16 0.00 0.00 32.46 30.82 1xrr n ARG 202 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1xrr n ASN 203 N -3.82 0.83 -0.11 0.55 3.02 -1.26 -4.65 115.26 109.81 1xrr n ASN 203 Ca 0.12 -0.91 -0.10 0.00 -0.03 0.00 0.00 54.58 53.66 1xrr n ASN 203 Cb 0.43 0.88 -0.02 0.00 -0.61 0.00 0.00 39.78 40.45 1xrr n ASN 203 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1xrr h VAL 204 N 0.37 1.20 -0.70 2.41 2.07 -1.88 -2.63 116.25 117.09 1xrr h VAL 204 Ca 0.00 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 1xrr h VAL 204 Cb 0.35 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1xrr h VAL 204 CO 0.00 0.23 0.29 0.22 0.02 0.00 0.00 177.57 178.32 1xrr h TYR 205 N 0.40 1.04 -0.25 1.57 3.20 -1.75 -0.61 116.97 120.57 1xrr h TYR 205 Ca 0.11 -0.07 -0.12 0.00 3.14 0.00 0.00 58.73 61.80 1xrr h TYR 205 Cb 0.24 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 1xrr h TYR 205 CO 0.01 0.79 -0.35 -0.09 -1.64 0.00 0.00 178.16 176.88 1xrr h ARG 206 N 1.01 0.54 0.01 1.82 2.43 -1.72 0.34 114.38 118.82 1xrr h ARG 206 Ca 0.24 -0.25 -0.22 0.00 -0.81 0.00 0.00 59.98 58.94 1xrr h ARG 206 Cb 0.18 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 1xrr h ARG 206 CO -0.02 0.81 -1.17 0.82 -1.51 0.00 0.00 179.97 178.90 1xrr h ILE 207 N 0.46 1.00 0.08 1.20 2.04 -1.31 -3.33 117.51 117.65 1xrr h ILE 207 Ca 0.05 -2.22 -0.25 0.00 1.00 0.00 0.00 64.86 63.44 1xrr h ILE 207 Cb 0.82 2.39 -0.01 0.00 -0.74 0.00 0.00 36.82 39.28 1xrr h ILE 207 CO 0.07 0.39 -1.16 0.24 0.00 0.00 0.00 178.15 177.70 1xrr h MET 208 N -0.91 0.17 0.00 2.37 2.86 -1.26 0.26 114.93 118.42 1xrr h MET 208 Ca -0.31 -0.28 -0.05 0.00 -2.06 0.00 0.00 59.70 56.99 1xrr h MET 208 Cb 1.33 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 33.09 1xrr h MET 208 CO -0.16 1.13 -0.96 -1.71 1.06 0.00 0.00 176.91 176.27 1xrr n ASN 209 N -3.46 1.69 0.00 1.22 2.85 -0.92 -2.55 115.26 114.10 1xrr n ASN 209 Ca -0.05 0.28 0.00 0.00 -0.11 0.00 0.00 54.58 54.69 1xrr n ASN 209 Cb 0.99 -0.64 0.00 0.00 1.24 0.00 0.00 39.78 41.38 1xrr n ASN 209 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1xrr n GLY 210 N 1.93 0.77 0.09 8.20 0.00 0.11 -0.41 105.19 115.89 1xrr n GLY 210 Ca -0.15 -1.99 -0.13 0.00 0.00 0.00 0.00 46.02 43.75 1xrr n GLY 210 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1xrr h PRO 211 N 0.00 -0.13 0.00 1.61 0.11 -1.83 -3.38 132.00 128.38 1xrr h PRO 211 Ca 0.00 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 1xrr h PRO 211 Cb 0.00 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.14 1xrr h PRO 211 CO 0.00 -0.01 -0.01 0.27 -0.21 0.00 0.00 178.00 178.04 1xrr n ASN 212 N -5.11 -0.07 -0.15 -2.05 0.23 -1.25 -5.03 115.26 101.83 1xrr n ASN 212 Ca -0.08 -1.10 -0.08 0.00 -0.53 0.00 0.00 54.58 52.79 1xrr n ASN 212 Cb 0.11 0.14 0.01 0.00 -2.08 0.00 0.00 39.78 37.96 1xrr n ASN 212 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1xrr h GLU 213 N 0.00 0.62 -0.73 -3.83 4.39 -1.98 -3.00 114.58 110.05 1xrr h GLU 213 Ca -0.01 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.52 1xrr h GLU 213 Cb 0.06 -0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 28.53 1xrr h GLU 213 CO 0.02 0.47 0.13 1.97 -1.16 0.00 0.00 179.01 180.44 1xrr n PHE 214 N -4.72 1.98 -3.45 4.33 1.16 -1.26 -4.55 117.46 110.94 1xrr n PHE 214 Ca 0.01 -0.86 -0.27 0.00 -1.87 0.00 0.00 57.45 54.46 1xrr n PHE 214 Cb 0.06 -0.55 -0.10 0.00 -1.61 0.00 0.00 39.48 37.28 1xrr n PHE 214 CO 0.00 0.00 0.00 2.41 -1.87 0.00 0.00 176.76 177.30 1xrr n THR 215 N 0.20 -0.85 -2.94 1.97 -1.04 -1.13 -4.98 114.28 105.50 1xrr n THR 215 Ca 0.30 -3.62 -0.44 0.00 -2.04 0.00 0.00 64.05 58.26 1xrr n THR 215 Cb 1.16 -1.72 -0.01 0.00 -1.82 0.00 0.00 70.33 67.94 1xrr n THR 215 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1xrr s ILE 216 N -0.16 4.91 -1.81 12.58 -1.09 -1.26 -3.46 121.20 130.91 1xrr s ILE 216 Ca 0.32 -2.22 0.16 0.00 -2.23 0.00 0.00 60.65 56.68 1xrr s ILE 216 Cb 0.03 -4.86 0.20 0.00 -1.58 0.00 0.00 42.46 36.25 1xrr s ILE 216 CO -0.19 -1.58 1.08 0.35 -1.23 0.00 0.00 174.94 173.37 1xrr n THR 217 N 4.97 0.23 -0.62 2.92 -2.24 -0.95 -4.65 114.28 113.94 1xrr n THR 217 Ca 0.32 -0.62 -0.19 0.00 -2.27 0.00 0.00 64.05 61.29 1xrr n THR 217 Cb 0.45 1.13 0.17 0.00 -2.10 0.00 0.00 70.33 69.98 1xrr n THR 217 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xrr n GLY 218 N 0.90 -3.05 0.00 3.38 0.00 0.45 -4.86 105.19 102.01 1xrr n GLY 218 Ca 0.11 -1.41 0.09 0.00 0.00 0.00 0.00 46.02 44.80 1xrr n GLY 218 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xrr n THR 219 N -4.25 0.00 -0.57 2.61 -2.24 0.08 -2.51 114.28 107.40 1xrr n THR 219 Ca 0.09 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.96 1xrr n THR 219 Cb 0.37 -0.62 0.31 0.00 -2.10 0.00 0.00 70.33 68.29 1xrr n THR 219 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1xrr n ILE 220 N -0.93 1.68 -0.25 2.28 -5.35 -1.08 -4.63 119.36 111.07 1xrr n ILE 220 Ca 0.13 -1.24 0.04 0.00 -0.27 0.00 0.00 62.75 61.41 1xrr n ILE 220 Cb 0.06 0.18 0.17 0.00 -1.74 0.00 0.00 39.64 38.30 1xrr n ILE 220 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1xrr h LYS 221 N 3.45 0.44 -0.01 6.28 3.64 -1.75 -2.86 116.57 125.75 1xrr h LYS 221 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1xrr h LYS 221 Cb 1.29 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1xrr h LYS 221 CO 0.17 0.29 -0.42 -0.25 -2.27 0.00 0.00 179.45 176.96 1xrr n ASP 222 N -4.99 1.71 -4.65 4.20 10.43 -1.26 -4.02 116.55 117.96 1xrr n ASP 222 Ca 0.13 -1.32 -0.45 0.00 2.57 0.00 0.00 54.79 55.72 1xrr n ASP 222 Cb 0.37 0.39 -0.03 0.00 1.84 0.00 0.00 41.12 43.69 1xrr n ASP 222 CO 0.00 0.00 0.00 1.87 -1.07 0.00 0.00 177.20 178.00 1xrr n TRP 223 N -0.25 1.95 -3.15 1.24 -0.00 -1.08 -4.84 117.44 111.32 1xrr n TRP 223 Ca 0.10 0.50 0.05 0.00 -0.00 0.00 0.00 57.50 58.15 1xrr n TRP 223 Cb 0.43 -2.41 -0.01 0.00 -0.00 0.00 0.00 31.31 29.32 1xrr n TRP 223 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 1xrr s ASP 224 N 0.17 -0.92 -0.26 5.87 3.68 -1.26 -1.38 116.67 122.57 1xrr s ASP 224 Ca 0.68 0.32 0.10 0.00 2.13 0.00 0.00 52.55 55.78 1xrr s ASP 224 Cb -0.69 1.67 0.48 0.00 -1.45 0.00 0.00 42.92 42.93 1xrr s ASP 224 CO 0.51 -0.17 1.40 2.30 0.13 0.00 0.00 175.17 179.34 1xrr n ILE 225 N 5.35 2.43 -0.12 4.11 -5.35 0.13 -4.70 119.36 121.21 1xrr n ILE 225 Ca 0.02 -2.76 0.12 0.00 -0.27 0.00 0.00 62.75 59.87 1xrr n ILE 225 Cb 0.54 -0.29 0.48 0.00 -1.74 0.00 0.00 39.64 38.63 1xrr n ILE 225 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1xrr h THR 226 N 1.02 0.88 0.00 7.28 2.02 -1.96 0.70 112.91 122.85 1xrr h THR 226 Ca 0.15 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1xrr h THR 226 Cb 1.48 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1xrr h THR 226 CO 0.28 0.08 0.00 -0.90 0.37 0.00 0.00 175.52 175.35 1xrr n ASP 227 N -4.48 0.00 -0.01 4.18 5.68 -1.26 -3.59 116.55 117.07 1xrr n ASP 227 Ca 0.11 -0.52 -0.01 0.00 -0.50 0.00 0.00 54.79 53.87 1xrr n ASP 227 Cb 0.41 -0.08 -0.02 0.00 -1.14 0.00 0.00 41.12 40.29 1xrr n ASP 227 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1xrr n LYS 228 N -1.08 3.46 0.14 0.11 5.02 0.20 -4.64 118.16 121.36 1xrr n LYS 228 Ca 0.15 -0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.52 1xrr n LYS 228 Cb 0.10 -1.05 0.41 0.00 -0.02 0.00 0.00 35.03 34.48 1xrr n LYS 228 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1xrr n ILE 229 N -2.10 0.91 0.25 -0.18 -5.35 -0.94 -1.34 119.36 110.61 1xrr n ILE 229 Ca -0.03 0.71 0.10 0.00 -0.27 0.00 0.00 62.75 63.25 1xrr n ILE 229 Cb 0.56 -1.71 0.65 0.00 -1.74 0.00 0.00 39.64 37.40 1xrr n ILE 229 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1xrr h SER 230 N 0.00 0.00 0.00 7.28 0.02 -1.75 -2.38 113.55 116.71 1xrr h SER 230 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xrr h SER 230 Cb 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1xrr h SER 230 CO 0.00 0.13 0.00 0.00 -1.14 0.00 0.00 176.83 175.82 1xrr n ALA 231 N -2.39 2.25 -2.68 3.77 0.00 -0.45 -4.75 120.51 116.26 1xrr n ALA 231 Ca -0.02 -0.09 -0.40 0.00 0.00 0.00 0.00 53.44 52.93 1xrr n ALA 231 Cb 0.22 -1.22 -0.05 0.00 0.00 0.00 0.00 19.45 18.40 1xrr n ALA 231 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xrr s ILE 232 N -2.00 4.97 -0.02 0.00 1.01 -0.90 -4.93 121.20 119.33 1xrr s ILE 232 Ca 0.21 1.42 0.06 0.00 0.00 0.00 0.00 60.65 62.33 1xrr s ILE 232 Cb 0.09 -4.04 -0.09 0.00 0.01 0.00 0.00 42.46 38.44 1xrr s ILE 232 CO 0.16 0.11 0.10 0.29 0.00 0.00 0.00 174.94 175.60 1xrr n LYS 233 N 4.83 0.91 -0.90 2.79 4.01 -1.26 -4.38 118.16 124.15 1xrr n LYS 233 Ca 0.01 -0.04 -0.32 0.00 -0.51 0.00 0.00 58.31 57.45 1xrr n LYS 233 Cb 0.50 -1.14 0.15 0.00 -0.51 0.00 0.00 35.03 34.02 1xrr n LYS 233 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 1xrr s ILE 234 N -2.35 2.10 -0.24 -0.18 -4.36 -1.26 -4.83 121.20 110.09 1xrr s ILE 234 Ca -0.02 0.04 -0.32 0.00 -0.26 0.00 0.00 60.65 60.09 1xrr s ILE 234 Cb 0.03 -2.24 -0.09 0.00 1.25 0.00 0.00 42.46 41.42 1xrr s ILE 234 CO 0.24 -0.04 2.15 -2.65 0.24 0.00 0.00 174.94 174.89 1xrr n PRO 235 N -3.80 1.70 -4.70 0.37 -0.02 -1.25 -4.78 135.00 122.52 1xrr n PRO 235 Ca 0.12 0.50 -0.33 0.00 -2.02 0.00 0.00 63.50 61.78 1xrr n PRO 235 Cb 0.51 -2.85 -0.13 0.00 -0.02 0.00 0.00 33.50 31.01 1xrr n PRO 235 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1xrr s THR 236 N 7.16 3.40 -0.13 3.45 2.01 -1.26 -1.32 115.64 128.96 1xrr s THR 236 Ca 1.02 -0.57 0.03 0.00 0.31 0.00 0.00 61.69 62.48 1xrr s THR 236 Cb -0.59 -2.40 0.01 0.00 0.01 0.00 0.00 72.50 69.53 1xrr s THR 236 CO 0.43 0.56 -0.22 -0.22 -0.69 0.00 0.00 174.62 174.48 1xrr s LEU 237 N -0.35 2.08 -0.06 4.42 2.96 0.24 -1.54 118.68 126.43 1xrr s LEU 237 Ca 0.04 -0.58 0.06 0.00 -0.22 0.00 0.00 54.13 53.43 1xrr s LEU 237 Cb -0.12 -1.41 -0.01 0.00 0.50 0.00 0.00 46.19 45.15 1xrr s LEU 237 CO 0.02 0.10 -0.25 -0.63 -1.32 0.00 0.00 176.35 174.27 1xrr s ILE 238 N 0.69 2.06 0.08 6.68 1.01 0.15 -0.16 121.20 131.72 1xrr s ILE 238 Ca -0.10 -1.06 0.05 0.00 0.00 0.00 0.00 60.65 59.54 1xrr s ILE 238 Cb -0.16 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.53 1xrr s ILE 238 CO 0.01 0.57 -0.14 0.42 0.00 0.00 0.00 174.94 175.80 1xrr s THR 239 N -0.09 1.15 -0.29 2.92 -4.23 0.74 -0.76 115.64 115.08 1xrr s THR 239 Ca -0.06 -1.39 -0.15 0.00 -1.18 0.00 0.00 61.69 58.91 1xrr s THR 239 Cb -0.14 -1.17 0.10 0.00 1.34 0.00 0.00 72.50 72.62 1xrr s THR 239 CO 0.04 -0.27 0.69 0.54 -0.54 0.00 0.00 174.62 175.09 1xrr s VAL 240 N -1.47 -0.25 0.81 2.29 0.11 -0.86 -0.76 120.40 120.26 1xrr s VAL 240 Ca 0.00 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 58.92 1xrr s VAL 240 Cb -0.09 -1.00 0.07 0.00 -1.53 0.00 0.00 36.38 33.83 1xrr s VAL 240 CO 0.02 0.00 1.08 0.61 -3.33 0.00 0.00 175.10 173.48 1xrr n GLY 241 N 4.58 -0.31 0.35 6.54 0.00 -0.89 -2.38 105.19 113.08 1xrr n GLY 241 Ca -0.18 -0.49 -0.01 0.00 0.00 0.00 0.00 46.02 45.34 1xrr n GLY 241 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xrr h GLU 242 N -0.88 1.05 -0.29 1.61 4.81 0.23 -2.91 114.58 118.19 1xrr h GLU 242 Ca -0.46 -0.09 -0.18 0.00 -0.13 0.00 0.00 59.36 58.50 1xrr h GLU 242 Cb 1.30 -0.22 -0.12 0.00 0.63 0.00 0.00 28.75 30.34 1xrr h GLU 242 CO 0.45 0.73 -0.32 0.66 -0.73 0.00 0.00 179.01 179.80 1xrr n TYR 243 N -4.39 0.97 -1.98 0.92 4.01 -0.42 -4.82 117.16 111.46 1xrr n TYR 243 Ca 0.08 -1.71 -0.42 0.00 -0.16 0.00 0.00 57.90 55.70 1xrr n TYR 243 Cb 0.06 -0.41 -0.02 0.00 -0.31 0.00 0.00 39.34 38.66 1xrr n TYR 243 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1xrr s ASP 244 N -2.95 6.62 0.55 7.72 3.68 -1.10 -4.21 116.67 126.99 1xrr s ASP 244 Ca 0.44 2.67 0.30 0.00 2.13 0.00 0.00 52.55 58.08 1xrr s ASP 244 Cb 0.40 -2.62 1.46 0.00 -1.45 0.00 0.00 42.92 40.71 1xrr s ASP 244 CO -0.02 -0.74 1.90 0.06 0.13 0.00 0.00 175.17 176.50 1xrr h GLN 245 N 5.41 0.00 -3.23 4.34 3.07 -1.58 -1.81 115.11 121.31 1xrr h GLN 245 Ca -0.45 0.00 -0.76 0.00 0.09 0.00 0.00 58.65 57.52 1xrr h GLN 245 Cb 1.21 0.00 -0.31 0.00 0.08 0.00 0.00 27.48 28.47 1xrr h GLN 245 CO 0.81 0.00 0.33 0.28 0.09 0.00 0.00 178.83 180.34 1xrr n VAL 246 N -4.10 4.23 -0.92 1.86 0.31 -1.26 -4.49 118.33 113.96 1xrr n VAL 246 Ca 0.14 -5.45 -0.29 0.00 -0.01 0.00 0.00 64.34 58.72 1xrr n VAL 246 Cb 0.82 -2.37 0.01 0.00 -0.91 0.00 0.00 33.84 31.40 1xrr n VAL 246 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1xrr n THR 247 N 2.09 0.00 0.11 2.52 -2.24 -0.68 -4.60 114.28 111.47 1xrr n THR 247 Ca 0.24 -0.38 0.20 0.00 -2.27 0.00 0.00 64.05 61.84 1xrr n THR 247 Cb 0.37 0.00 0.74 0.00 -2.10 0.00 0.00 70.33 69.34 1xrr n THR 247 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1xrr h PRO 248 N -0.10 0.00 -0.30 -0.78 0.11 -1.83 0.19 132.00 129.29 1xrr h PRO 248 Ca -0.31 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.71 1xrr h PRO 248 Cb 1.09 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1xrr h PRO 248 CO 0.30 0.00 -0.17 -0.91 -0.21 0.00 0.00 178.00 177.01 1xrr h ASN 249 N 0.00 0.52 0.26 -2.05 4.21 -1.98 0.34 115.58 116.88 1xrr h ASN 249 Ca 0.18 -0.16 -0.14 0.00 1.21 0.00 0.00 56.30 57.40 1xrr h ASN 249 Cb 1.08 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 38.13 1xrr h ASN 249 CO -0.00 0.72 -0.54 0.58 -1.29 0.00 0.00 177.43 176.89 1xrr h VAL 250 N 0.48 1.35 0.00 2.81 2.07 -0.89 -2.56 116.25 119.52 1xrr h VAL 250 Ca 0.08 -1.83 -0.20 0.00 0.82 0.00 0.00 66.70 65.58 1xrr h VAL 250 Cb 0.58 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 1xrr h VAL 250 CO 0.04 0.55 -0.87 0.00 0.02 0.00 0.00 177.57 177.30 1xrr h ALA 251 N 1.20 0.53 -0.38 1.67 0.00 -1.13 -3.27 119.26 117.87 1xrr h ALA 251 Ca 0.00 -0.72 -0.05 0.00 0.00 0.00 0.00 54.91 54.14 1xrr h ALA 251 Cb 1.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1xrr h ALA 251 CO 0.09 0.91 0.05 -0.09 0.00 0.00 0.00 179.25 180.21 1xrr h ARG 252 N 0.11 0.64 -0.74 0.00 2.43 -0.20 -0.63 114.38 116.00 1xrr h ARG 252 Ca -0.04 -0.18 0.10 0.00 -0.81 0.00 0.00 59.98 59.05 1xrr h ARG 252 Cb 1.50 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.93 1xrr h ARG 252 CO 0.13 0.71 0.49 0.28 -1.51 0.00 0.00 179.97 180.07 1xrr h VAL 253 N 0.48 0.91 0.33 0.20 2.07 -1.51 0.26 116.25 118.99 1xrr h VAL 253 Ca 0.11 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 1xrr h VAL 253 Cb 0.39 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1xrr h VAL 253 CO 0.01 0.11 -0.16 0.40 0.02 0.00 0.00 177.57 177.95 1xrr h ILE 254 N 0.61 0.34 -0.08 4.57 2.04 -1.54 -3.09 117.51 120.35 1xrr h ILE 254 Ca 0.34 -0.76 0.02 0.00 1.00 0.00 0.00 64.86 65.46 1xrr h ILE 254 Cb 0.52 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1xrr h ILE 254 CO -0.12 0.08 0.42 -0.74 0.00 0.00 0.00 178.15 177.78 1xrr h HIS 255 N -1.02 0.00 0.00 1.37 2.76 -0.46 0.36 115.15 118.16 1xrr h HIS 255 Ca -0.04 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.10 1xrr h HIS 255 Cb 0.47 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.43 1xrr h HIS 255 CO 0.03 0.00 -0.45 0.93 -1.30 0.00 0.00 177.93 177.14 1xrr h GLU 256 N 0.00 0.00 0.00 5.26 5.08 -0.44 -3.32 114.58 121.16 1xrr h GLU 256 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1xrr h GLU 256 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1xrr h GLU 256 CO -0.00 0.10 -1.28 1.63 -1.00 0.00 0.00 179.01 178.47 1xrr n LYS 257 N -2.99 0.36 -3.81 2.33 4.01 0.12 -4.80 118.16 113.37 1xrr n LYS 257 Ca 0.02 -0.05 -0.36 0.00 -0.51 0.00 0.00 58.31 57.41 1xrr n LYS 257 Cb 0.59 -1.58 -0.12 0.00 -0.51 0.00 0.00 35.03 33.41 1xrr n LYS 257 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1xrr s ILE 258 N -3.26 3.22 0.25 -0.18 1.01 -1.01 -3.94 121.20 117.29 1xrr s ILE 258 Ca 0.01 -1.86 -0.31 0.00 0.00 0.00 0.00 60.65 58.49 1xrr s ILE 258 Cb 0.14 -3.11 -0.12 0.00 0.01 0.00 0.00 42.46 39.38 1xrr s ILE 258 CO 0.84 -0.53 1.61 0.00 0.00 0.00 0.00 174.94 176.86 1xrr n ALA 259 N 4.60 2.32 -0.91 9.38 0.00 -1.26 -1.97 120.51 132.67 1xrr n ALA 259 Ca -0.05 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1xrr n ALA 259 Cb 0.42 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.43 1xrr n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xrr n GLY 260 N 2.80 0.89 3.82 0.00 0.00 -1.26 -4.88 105.19 106.57 1xrr n GLY 260 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1xrr n GLY 260 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xrr s SER 261 N -2.85 5.67 -0.00 1.61 1.04 -0.83 -4.56 113.70 113.77 1xrr s SER 261 Ca 0.00 1.67 0.06 0.00 0.48 0.00 0.00 55.95 58.16 1xrr s SER 261 Cb 0.00 -2.51 -0.03 0.00 0.10 0.00 0.00 66.02 63.58 1xrr s SER 261 CO 0.00 -1.25 -0.17 -1.61 0.98 0.00 0.00 173.24 171.19 1xrr s GLU 262 N -4.65 2.25 -0.20 4.02 2.02 -0.59 -4.99 118.70 116.57 1xrr s GLU 262 Ca 0.60 -0.86 -0.01 0.00 0.02 0.00 0.00 54.97 54.72 1xrr s GLU 262 Cb -0.14 -2.25 0.01 0.00 0.10 0.00 0.00 34.13 31.86 1xrr s GLU 262 CO 0.47 0.58 -0.13 -1.17 0.02 0.00 0.00 175.26 175.02 1xrr s LEU 263 N -1.05 2.51 -0.26 1.80 0.20 -1.26 0.33 118.68 120.95 1xrr s LEU 263 Ca 0.13 -0.61 0.02 0.00 0.69 0.00 0.00 54.13 54.36 1xrr s LEU 263 Cb -0.10 -1.58 0.07 0.00 -0.43 0.00 0.00 46.19 44.14 1xrr s LEU 263 CO 0.03 -0.02 -0.07 -1.00 -0.29 0.00 0.00 176.35 174.99 1xrr s HIS 264 N 1.35 2.97 -0.46 5.38 3.76 0.06 -5.01 115.29 123.34 1xrr s HIS 264 Ca 0.04 -2.18 -0.20 0.00 -0.15 0.00 0.00 55.06 52.57 1xrr s HIS 264 Cb -0.14 -1.90 0.03 0.00 1.11 0.00 0.00 32.58 31.68 1xrr s HIS 264 CO -0.09 -0.85 0.64 0.08 -0.85 0.00 0.00 174.74 173.67 1xrr s VAL 265 N 1.20 4.84 -0.23 -0.90 1.01 -1.26 -2.03 120.40 123.02 1xrr s VAL 265 Ca -0.05 -0.05 -0.29 0.00 0.00 0.00 0.00 61.98 61.59 1xrr s VAL 265 Cb -0.19 -4.23 0.01 0.00 0.00 0.00 0.00 36.38 31.96 1xrr s VAL 265 CO -0.06 -0.66 1.06 -0.36 0.00 0.00 0.00 175.10 175.09 1xrr s PHE 266 N 2.78 3.29 0.52 5.22 0.40 -1.00 -4.81 117.98 124.38 1xrr s PHE 266 Ca 0.20 1.42 -0.21 0.00 -0.60 0.00 0.00 56.93 57.74 1xrr s PHE 266 Cb -0.15 -3.30 -0.06 0.00 0.51 0.00 0.00 43.02 40.01 1xrr s PHE 266 CO 0.17 -0.61 1.19 1.03 0.70 0.00 0.00 175.22 177.70 1xrr s ARG 267 N 3.24 3.40 0.00 0.44 1.81 -1.26 -0.49 118.95 126.09 1xrr s ARG 267 Ca 0.45 1.80 0.00 0.00 -1.72 0.00 0.00 55.73 56.26 1xrr s ARG 267 Cb -0.16 -2.17 0.00 0.00 -0.45 0.00 0.00 34.95 32.17 1xrr s ARG 267 CO 0.07 -0.85 0.00 -0.25 -0.68 0.00 0.00 175.30 173.59 1xrr n ASP 268 N -1.02 0.00 -4.99 0.23 9.92 -1.26 -4.86 116.55 114.57 1xrr n ASP 268 Ca 0.10 0.00 -0.18 0.00 -0.53 0.00 0.00 54.79 54.18 1xrr n ASP 268 Cb 0.49 -1.83 0.00 0.00 -0.64 0.00 0.00 41.12 39.14 1xrr n ASP 268 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xrr n SER 270 N -1.72 0.00 -0.08 0.00 3.41 -1.26 -1.29 113.62 112.68 1xrr n SER 270 Ca 0.03 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.55 1xrr n SER 270 Cb 0.59 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.49 1xrr n SER 270 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1xrr h HIS 271 N 0.00 0.00 -0.45 7.33 2.76 -1.25 -2.36 115.15 121.18 1xrr h HIS 271 Ca 0.00 0.00 -0.71 0.00 -2.20 0.00 0.00 60.37 57.46 1xrr h HIS 271 Cb 0.00 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 28.91 1xrr h HIS 271 CO 0.00 0.38 3.07 1.28 -1.30 0.00 0.00 177.93 181.36 1xrr n LEU 272 N -4.58 7.71 0.26 0.26 4.77 0.46 -4.65 117.00 121.23 1xrr n LEU 272 Ca -0.13 -4.44 0.11 0.00 -0.03 0.00 0.00 56.01 51.51 1xrr n LEU 272 Cb 0.36 -1.54 0.71 0.00 -2.33 0.00 0.00 43.42 40.62 1xrr n LEU 272 CO 0.12 1.66 1.02 0.00 -1.33 0.00 0.00 177.39 178.87 1xrr h THR 273 N 3.36 0.78 0.00 -5.08 1.03 -1.86 -2.19 112.91 108.95 1xrr h THR 273 Ca 0.67 -0.29 0.00 0.00 -0.01 0.00 0.00 66.41 66.78 1xrr h THR 273 Cb 0.45 1.17 0.00 0.00 -1.07 0.00 0.00 68.15 68.71 1xrr h THR 273 CO 1.74 0.08 0.00 1.15 -0.01 0.00 0.00 175.52 178.47 1xrr n MET 274 N -4.05 0.05 -0.07 0.00 0.00 -1.26 -1.38 117.12 110.41 1xrr n MET 274 Ca -0.03 0.37 -0.11 0.00 0.00 0.00 0.00 57.70 57.94 1xrr n MET 274 Cb 0.16 -1.61 -0.06 0.00 0.00 0.00 0.00 33.22 31.71 1xrr n MET 274 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 175.97 176.88 1xrr n TRP 275 N -1.70 0.00 -0.33 3.17 7.02 -0.85 -3.75 117.44 121.00 1xrr n TRP 275 Ca 0.02 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.48 1xrr n TRP 275 Cb 0.13 -0.52 0.11 0.00 -2.42 0.00 0.00 31.31 28.61 1xrr n TRP 275 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 1xrr h GLU 276 N -0.13 1.12 -2.05 -0.99 5.08 -1.39 -3.27 114.58 112.94 1xrr h GLU 276 Ca -0.32 -0.07 -0.57 0.00 -1.00 0.00 0.00 59.36 57.40 1xrr h GLU 276 Cb 1.43 -0.25 -0.40 0.00 0.50 0.00 0.00 28.75 30.03 1xrr h GLU 276 CO -0.09 0.74 -0.96 -3.47 -1.00 0.00 0.00 179.01 174.23 1xrr n ASP 277 N -4.50 1.20 0.20 1.42 -0.08 -0.48 -4.98 116.55 109.33 1xrr n ASP 277 Ca 0.11 -2.91 -0.15 0.00 -1.51 0.00 0.00 54.79 50.33 1xrr n ASP 277 Cb 0.06 -0.65 -0.07 0.00 2.34 0.00 0.00 41.12 42.80 1xrr n ASP 277 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 1xrr h ARG 278 N 4.04 -0.69 0.03 -0.67 2.43 -1.65 0.15 114.38 118.03 1xrr h ARG 278 Ca 0.11 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1xrr h ARG 278 Cb 0.82 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.52 1xrr h ARG 278 CO 0.57 -0.46 -0.11 1.49 -1.51 0.00 0.00 179.97 179.95 1xrr h GLU 279 N -0.72 -0.15 -0.70 0.20 4.22 -1.93 0.61 114.58 116.12 1xrr h GLU 279 Ca -0.01 0.01 0.15 0.00 0.08 0.00 0.00 59.36 59.59 1xrr h GLU 279 Cb 0.67 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.84 1xrr h GLU 279 CO -0.10 -0.10 0.08 0.78 -2.18 0.00 0.00 179.01 177.49 1xrr h GLY 280 N -0.16 0.86 1.00 1.92 0.00 -1.96 0.29 103.07 105.02 1xrr h GLY 280 Ca -0.00 0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 1xrr h GLY 280 CO -0.05 -0.22 -0.42 -1.82 0.00 0.00 0.00 176.54 174.02 1xrr h TYR 281 N 0.18 -1.10 -0.54 5.60 3.20 -0.44 -1.36 116.97 122.51 1xrr h TYR 281 Ca 0.38 -0.03 0.10 0.00 3.14 0.00 0.00 58.73 62.33 1xrr h TYR 281 Cb 0.65 0.36 -0.03 0.00 1.54 0.00 0.00 36.73 39.26 1xrr h TYR 281 CO -0.33 -0.68 0.36 -0.91 -1.64 0.00 0.00 178.16 174.96 1xrr h ASN 282 N -1.21 0.29 0.52 -2.11 -0.26 -0.47 -2.11 115.58 110.22 1xrr h ASN 282 Ca -0.12 0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.60 1xrr h ASN 282 Cb 0.91 -0.05 0.01 0.00 -1.06 0.00 0.00 38.32 38.12 1xrr h ASN 282 CO 0.20 0.17 -0.25 0.50 -1.06 0.00 0.00 177.43 176.99 1xrr h LYS 283 N 0.32 -0.68 -0.96 0.81 1.63 -0.11 -2.55 116.57 115.03 1xrr h LYS 283 Ca 0.25 0.05 0.19 0.00 -0.85 0.00 0.00 60.65 60.29 1xrr h LYS 283 Cb 0.56 0.15 -0.09 0.00 -0.60 0.00 0.00 32.23 32.26 1xrr h LYS 283 CO -0.06 -0.45 0.61 1.25 -3.45 0.00 0.00 179.45 177.35 1xrr h LEU 284 N -0.94 0.62 -0.41 5.20 6.46 -1.04 0.23 115.31 125.42 1xrr h LEU 284 Ca -0.07 0.07 -0.11 0.00 -0.12 0.00 0.00 57.88 57.64 1xrr h LEU 284 Cb 0.54 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.41 1xrr h LEU 284 CO 0.12 0.24 -0.18 -0.07 -0.62 0.00 0.00 178.44 177.92 1xrr h LEU 285 N 0.61 0.87 -0.54 2.25 4.07 -1.43 -1.89 115.31 119.26 1xrr h LEU 285 Ca 0.53 -0.40 -0.15 0.00 0.08 0.00 0.00 57.88 57.94 1xrr h LEU 285 Cb 1.02 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.51 1xrr h LEU 285 CO -0.28 1.08 -0.49 0.77 -1.08 0.00 0.00 178.44 178.44 1xrr h SER 286 N 0.67 0.67 -0.14 -0.43 4.64 -0.81 -2.41 113.55 115.75 1xrr h SER 286 Ca 0.09 -0.33 -0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1xrr h SER 286 Cb 0.74 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1xrr h SER 286 CO 0.06 1.05 0.08 0.44 -0.87 0.00 0.00 176.83 177.59 1xrr h ASP 287 N 0.48 0.16 0.10 4.97 3.45 -0.90 -0.89 116.42 123.79 1xrr h ASP 287 Ca 0.02 -0.04 0.02 0.00 0.43 0.00 0.00 57.03 57.46 1xrr h ASP 287 Cb 1.03 -0.04 -0.04 0.00 -0.56 0.00 0.00 39.33 39.72 1xrr h ASP 287 CO 0.10 0.15 -0.26 0.15 -1.57 0.00 0.00 179.24 177.81 1xrr h PHE 288 N 0.16 -0.70 -0.19 4.55 3.57 -1.27 -2.81 116.94 120.24 1xrr h PHE 288 Ca 0.05 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.61 1xrr h PHE 288 Cb 0.02 0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 1xrr h PHE 288 CO -0.06 -0.36 -0.09 0.82 -2.23 0.00 0.00 178.31 176.38 1xrr h ILE 289 N -0.46 0.70 0.00 1.41 2.04 -1.25 -1.29 117.51 118.66 1xrr h ILE 289 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1xrr h ILE 289 Cb 0.50 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1xrr h ILE 289 CO -0.17 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.16 1xrr n LEU 290 N -5.25 0.00 -0.02 1.44 4.77 -0.35 -1.25 117.00 116.34 1xrr n LEU 290 Ca -0.02 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.02 1xrr n LEU 290 Cb 0.17 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.19 1xrr n LEU 290 CO 0.22 0.00 -0.01 0.29 -1.33 0.00 0.00 177.39 176.56 1xrr n LYS 291 N -0.87 2.49 -2.66 3.23 5.02 -0.49 -4.63 118.16 120.25 1xrr n LYS 291 Ca 0.04 -0.05 -0.08 0.00 -2.02 0.00 0.00 58.31 56.20 1xrr n LYS 291 Cb 0.02 -1.14 0.03 0.00 -0.02 0.00 0.00 35.03 33.92 1xrr n LYS 291 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1xrr n HIS 292 N -1.24 1.52 0.46 2.13 8.25 -0.38 -5.11 115.22 120.85 1xrr n HIS 292 Ca 0.03 -2.51 0.04 0.00 -0.26 0.00 0.00 57.72 55.02 1xrr n HIS 292 Cb 0.22 -0.29 0.22 0.00 1.12 0.00 0.00 29.99 31.26 1xrr n HIS 292 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26