#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hsq n LYS 2 N 0.00 0.00 -4.00 2.12 3.00 -1.24 -4.99 118.16 113.05 3hsq n LYS 2 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 57.97 3hsq n LYS 2 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 35.03 34.88 3hsq n LYS 2 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 3hsq s ILE 3 N 0.00 2.79 0.25 3.15 1.01 -1.26 -2.38 121.20 124.76 3hsq s ILE 3 Ca 0.00 -0.77 -0.31 0.00 0.00 0.00 0.00 60.65 59.57 3hsq s ILE 3 Cb 0.00 -2.27 -0.12 0.00 0.01 0.00 0.00 42.46 40.08 3hsq s ILE 3 CO 0.00 0.42 1.64 1.57 0.00 0.00 0.00 174.94 178.57 3hsq n HIS 4 N 4.71 2.77 -0.36 3.97 -0.00 -0.57 -4.88 115.22 120.86 3hsq n HIS 4 Ca -0.19 0.18 0.33 0.00 -0.00 0.00 0.00 57.72 58.04 3hsq n HIS 4 Cb 0.50 -2.62 0.60 0.00 -0.00 0.00 0.00 29.99 28.46 3hsq n HIS 4 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3hsq h PRO 5 N 5.55 0.05 -0.01 1.57 0.11 -1.94 -0.53 132.00 136.81 3hsq h PRO 5 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3hsq h PRO 5 Cb 1.22 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3hsq h PRO 5 CO 0.86 0.03 -0.14 0.25 -0.21 0.00 0.00 178.00 178.79 3hsq n THR 6 N -5.09 0.00 -2.23 -1.15 -2.24 -1.26 -4.86 114.28 97.46 3hsq n THR 6 Ca 0.38 -0.10 -0.40 0.00 -2.27 0.00 0.00 64.05 61.65 3hsq n THR 6 Cb 1.31 0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 69.65 3hsq n THR 6 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hsq s ALA 7 N -2.41 3.41 -0.40 6.98 0.00 -0.21 -3.67 121.76 125.46 3hsq s ALA 7 Ca 0.29 1.12 -0.09 0.00 0.00 0.00 0.00 51.96 53.28 3hsq s ALA 7 Cb 0.20 -3.43 0.06 0.00 0.00 0.00 0.00 23.12 19.95 3hsq s ALA 7 CO 0.47 -0.51 0.23 0.42 0.00 0.00 0.00 175.76 176.36 3hsq s ILE 8 N -1.19 4.27 -0.14 0.00 1.01 0.38 -4.94 121.20 120.59 3hsq s ILE 8 Ca 0.49 -1.22 0.02 0.00 0.00 0.00 0.00 60.65 59.94 3hsq s ILE 8 Cb -0.36 -3.53 0.01 0.00 0.01 0.00 0.00 42.46 38.59 3hsq s ILE 8 CO 0.48 -0.39 -0.20 -0.63 0.00 0.00 0.00 174.94 174.19 3hsq s ILE 9 N 1.46 1.91 0.20 2.92 1.01 -1.26 -0.73 121.20 126.70 3hsq s ILE 9 Ca 0.02 -0.88 -0.32 0.00 0.00 0.00 0.00 60.65 59.47 3hsq s ILE 9 Cb -0.22 -1.70 -0.12 0.00 0.01 0.00 0.00 42.46 40.43 3hsq s ILE 9 CO 0.03 0.52 1.74 -0.62 0.00 0.00 0.00 174.94 176.62 3hsq s ASP 10 N 0.95 6.38 0.53 3.58 -1.08 -0.39 -4.89 116.67 121.75 3hsq s ASP 10 Ca -0.05 2.87 0.35 0.00 -0.52 0.00 0.00 52.55 55.20 3hsq s ASP 10 Cb -0.15 -2.60 1.51 0.00 -1.46 0.00 0.00 42.92 40.23 3hsq s ASP 10 CO -0.04 -0.98 1.80 -0.65 0.52 0.00 0.00 175.17 175.82 3hsq h PRO 11 N 7.02 0.04 0.00 4.34 0.11 -1.94 -1.37 132.00 140.20 3hsq h PRO 11 Ca -0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3hsq h PRO 11 Cb 1.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3hsq h PRO 11 CO 0.96 0.02 -0.24 0.87 -0.21 0.00 0.00 178.00 179.40 3hsq h LYS 12 N 0.04 0.00 -6.87 1.05 6.56 -1.92 -3.46 116.57 111.97 3hsq h LYS 12 Ca 0.57 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 59.63 3hsq h LYS 12 Cb 2.20 0.00 0.09 0.00 -0.57 0.00 0.00 32.23 33.95 3hsq h LYS 12 CO -0.04 0.00 0.83 0.00 -2.06 0.00 0.00 179.45 178.18 3hsq s ALA 13 N -3.24 3.66 -0.42 3.86 0.00 -0.52 -4.70 121.76 120.40 3hsq s ALA 13 Ca 0.06 1.56 -0.07 0.00 0.00 0.00 0.00 51.96 53.50 3hsq s ALA 13 Cb 0.07 -3.62 0.10 0.00 0.00 0.00 0.00 23.12 19.66 3hsq s ALA 13 CO 0.69 -1.00 0.25 -1.21 0.00 0.00 0.00 175.76 174.50 3hsq s GLU 14 N -1.23 2.42 -0.13 0.00 2.02 0.43 -4.99 118.70 117.21 3hsq s GLU 14 Ca 0.58 -1.61 -0.01 0.00 0.02 0.00 0.00 54.97 53.95 3hsq s GLU 14 Cb -0.47 -3.74 -0.02 0.00 0.10 0.00 0.00 34.13 30.01 3hsq s GLU 14 CO 0.55 -1.03 -0.11 -0.51 0.02 0.00 0.00 175.26 174.18 3hsq s LEU 15 N 1.33 2.81 0.43 1.80 1.02 -1.26 -0.71 118.68 124.10 3hsq s LEU 15 Ca 0.04 -0.29 -0.25 0.00 0.02 0.00 0.00 54.13 53.65 3hsq s LEU 15 Cb -0.24 -1.64 -0.09 0.00 0.02 0.00 0.00 46.19 44.24 3hsq s LEU 15 CO -0.00 0.16 1.29 1.57 0.02 0.00 0.00 176.35 179.39 3hsq n HIS 16 N 3.53 2.17 -0.28 0.29 -0.00 -0.31 -4.86 115.22 115.76 3hsq n HIS 16 Ca -0.18 0.49 0.29 0.00 -0.00 0.00 0.00 57.72 58.32 3hsq n HIS 16 Cb 0.53 -2.38 0.66 0.00 -0.00 0.00 0.00 29.99 28.79 3hsq n HIS 16 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.34 177.39 3hsq h GLU 17 N 2.05 0.14 0.00 1.57 -0.00 -1.95 -0.19 114.58 116.20 3hsq h GLU 17 Ca -0.48 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 58.87 3hsq h GLU 17 Cb 1.29 -0.03 0.00 0.00 -0.00 0.00 0.00 28.75 30.01 3hsq h GLU 17 CO 0.60 0.09 0.00 -1.13 -0.00 0.00 0.00 179.01 178.57 3hsq n SER 18 N -4.36 0.46 -4.72 3.06 3.41 -1.26 -4.26 113.62 105.95 3hsq n SER 18 Ca 0.23 0.57 -0.42 0.00 -0.26 0.00 0.00 58.87 58.99 3hsq n SER 18 Cb 1.03 -0.68 -0.03 0.00 -0.26 0.00 0.00 64.21 64.27 3hsq n SER 18 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3hsq s VAL 19 N -3.11 2.29 -0.17 -3.33 1.01 -0.09 -0.55 120.40 116.45 3hsq s VAL 19 Ca 0.09 0.21 -0.07 0.00 0.00 0.00 0.00 61.98 62.22 3hsq s VAL 19 Cb 0.13 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 3hsq s VAL 19 CO 0.48 0.02 0.05 -1.61 0.00 0.00 0.00 175.10 174.04 3hsq s GLU 20 N 1.03 3.86 -0.10 2.72 2.02 -0.98 -3.66 118.70 123.58 3hsq s GLU 20 Ca 0.72 -0.36 0.01 0.00 0.02 0.00 0.00 54.97 55.35 3hsq s GLU 20 Cb -0.47 -3.15 0.02 0.00 0.10 0.00 0.00 34.13 30.63 3hsq s GLU 20 CO 0.33 0.32 -0.11 0.08 0.02 0.00 0.00 175.26 175.90 3hsq s VAL 21 N 0.23 1.17 0.44 2.63 1.01 -1.00 0.37 120.40 125.24 3hsq s VAL 21 Ca 0.03 -0.42 -0.06 0.00 0.00 0.00 0.00 61.98 61.53 3hsq s VAL 21 Cb -0.12 -1.13 0.10 0.00 0.00 0.00 0.00 36.38 35.22 3hsq s VAL 21 CO 0.01 0.38 0.59 0.61 0.00 0.00 0.00 175.10 176.69 3hsq n GLY 22 N 4.51 -0.80 3.70 4.51 0.00 0.22 -1.51 105.19 115.82 3hsq n GLY 22 Ca -0.17 -1.77 -0.44 0.00 0.00 0.00 0.00 46.02 43.65 3hsq n GLY 22 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hsq n PRO 23 N -2.22 2.42 -1.65 1.61 -0.02 -1.26 -3.37 135.00 130.49 3hsq n PRO 23 Ca 0.08 0.87 -0.21 0.00 -2.02 0.00 0.00 63.50 62.22 3hsq n PRO 23 Cb 0.28 -2.65 -0.08 0.00 -0.02 0.00 0.00 33.50 31.02 3hsq n PRO 23 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hsq n TYR 24 N 3.22 -0.07 -2.95 6.00 4.02 -1.24 -0.70 117.16 125.44 3hsq n TYR 24 Ca 0.15 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.71 3hsq n TYR 24 Cb 0.32 -3.50 -0.06 0.00 -0.02 0.00 0.00 39.34 36.08 3hsq n TYR 24 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3hsq s SER 25 N -2.72 6.80 -0.12 7.72 0.01 -1.22 -4.05 113.70 120.14 3hsq s SER 25 Ca 0.00 1.44 0.02 0.00 1.31 0.00 0.00 55.95 58.72 3hsq s SER 25 Cb 0.00 -2.44 0.01 0.00 0.21 0.00 0.00 66.02 63.80 3hsq s SER 25 CO 0.00 -0.31 -0.18 -0.63 0.41 0.00 0.00 173.24 172.54 3hsq s ILE 26 N -2.13 1.70 -0.14 1.44 1.01 0.95 -0.47 121.20 123.56 3hsq s ILE 26 Ca 0.57 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 60.46 3hsq s ILE 26 Cb -0.10 -1.53 0.02 0.00 0.01 0.00 0.00 42.46 40.86 3hsq s ILE 26 CO 0.18 0.48 -0.16 -0.63 0.00 0.00 0.00 174.94 174.81 3hsq s ILE 27 N 0.90 1.62 0.67 2.92 1.01 0.09 -0.42 121.20 127.99 3hsq s ILE 27 Ca -0.07 -0.68 -0.06 0.00 0.00 0.00 0.00 60.65 59.83 3hsq s ILE 27 Cb -0.15 -1.49 0.14 0.00 0.01 0.00 0.00 42.46 40.97 3hsq s ILE 27 CO -0.01 0.47 0.91 -0.62 0.00 0.00 0.00 174.94 175.68 3hsq n GLU 28 N 4.50 -0.47 -1.58 2.79 1.02 -0.51 -1.26 120.64 125.13 3hsq n GLU 28 Ca -0.18 -1.88 -0.29 0.00 -0.02 0.00 0.00 57.16 54.79 3hsq n GLU 28 Cb 0.51 -0.79 0.14 0.00 -0.02 0.00 0.00 31.44 31.28 3hsq n GLU 28 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3hsq s GLY 29 N -4.89 1.60 -1.50 0.62 0.00 -1.26 -4.15 107.32 97.73 3hsq s GLY 29 Ca 0.55 -0.64 -0.11 0.00 0.00 0.00 0.00 44.72 44.52 3hsq s GLY 29 CO 0.38 -0.04 0.91 0.70 0.00 0.00 0.00 173.10 175.04 3hsq n ASN 30 N -3.80 -3.93 -4.19 1.64 4.13 -1.26 -3.97 115.26 103.88 3hsq n ASN 30 Ca 0.08 -0.81 -0.29 0.00 1.68 0.00 0.00 54.58 55.25 3hsq n ASN 30 Cb 0.59 -3.84 -0.16 0.00 -1.54 0.00 0.00 39.78 34.84 3hsq n ASN 30 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3hsq s VAL 31 N -3.39 1.71 -0.05 2.41 1.01 -1.26 -1.37 120.40 119.47 3hsq s VAL 31 Ca 0.52 -0.87 0.06 0.00 0.00 0.00 0.00 61.98 61.69 3hsq s VAL 31 Cb -0.26 -1.46 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 3hsq s VAL 31 CO 0.83 0.48 -0.22 -0.94 0.00 0.00 0.00 175.10 175.26 3hsq s SER 32 N -0.01 2.72 -0.08 3.32 1.04 -0.84 -0.42 113.70 119.44 3hsq s SER 32 Ca -0.05 -0.45 -0.01 0.00 0.48 0.00 0.00 55.95 55.93 3hsq s SER 32 Cb -0.13 -0.70 0.03 0.00 0.10 0.00 0.00 66.02 65.32 3hsq s SER 32 CO 0.03 0.22 -0.03 -0.63 0.98 0.00 0.00 173.24 173.81 3hsq s ILE 33 N -0.14 0.61 0.66 -1.02 1.01 0.11 -0.11 121.20 122.33 3hsq s ILE 33 Ca -0.02 -0.05 -0.06 0.00 0.00 0.00 0.00 60.65 60.51 3hsq s ILE 33 Cb -0.12 -0.70 0.14 0.00 0.01 0.00 0.00 42.46 41.79 3hsq s ILE 33 CO 0.03 0.29 0.90 0.00 0.00 0.00 0.00 174.94 176.16 3hsq n GLN 34 N 4.86 -0.46 -1.81 2.79 6.02 -0.00 -1.16 117.38 127.62 3hsq n GLN 34 Ca -0.12 -1.88 -0.40 0.00 -0.01 0.00 0.00 57.00 54.59 3hsq n GLN 34 Cb 0.50 -0.78 0.01 0.00 1.02 0.00 0.00 30.24 30.99 3hsq n GLN 34 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 3hsq s GLU 35 N -4.87 3.90 0.00 -1.09 2.12 -1.26 -3.47 118.70 114.02 3hsq s GLU 35 Ca 0.55 2.49 0.00 0.00 0.36 0.00 0.00 54.97 58.37 3hsq s GLU 35 Cb -0.02 -2.81 0.00 0.00 0.26 0.00 0.00 34.13 31.56 3hsq s GLU 35 CO 0.38 -0.67 0.00 0.41 -0.54 0.00 0.00 175.26 174.83 3hsq n GLY 36 N 0.52 1.48 3.72 -1.50 0.00 -1.26 -0.44 105.19 107.72 3hsq n GLY 36 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3hsq n GLY 36 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hsq s THR 37 N -3.37 4.23 -0.12 2.61 2.01 -1.23 -3.94 115.64 115.84 3hsq s THR 37 Ca 0.00 1.73 0.01 0.00 0.31 0.00 0.00 61.69 63.74 3hsq s THR 37 Cb 0.00 -4.10 -0.01 0.00 0.01 0.00 0.00 72.50 68.39 3hsq s THR 37 CO 0.00 0.20 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.34 3hsq s ILE 38 N 0.50 2.81 -0.17 1.82 1.01 0.43 -2.32 121.20 125.29 3hsq s ILE 38 Ca 0.53 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 60.44 3hsq s ILE 38 Cb -0.27 -2.16 0.02 0.00 0.01 0.00 0.00 42.46 40.06 3hsq s ILE 38 CO 0.31 0.53 -0.21 -0.63 0.00 0.00 0.00 174.94 174.95 3hsq s ILE 39 N 0.31 2.06 0.00 2.92 1.01 0.16 -0.76 121.20 126.90 3hsq s ILE 39 Ca -0.12 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.58 3hsq s ILE 39 Cb -0.16 -1.85 0.00 0.00 0.01 0.00 0.00 42.46 40.46 3hsq s ILE 39 CO 0.06 0.54 0.00 -0.62 0.00 0.00 0.00 174.94 174.93 3hsq n GLU 40 N 4.45 2.28 -2.59 2.79 1.02 0.22 0.72 120.64 129.53 3hsq n GLU 40 Ca -0.21 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.62 3hsq n GLU 40 Cb 0.50 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.89 3hsq n GLU 40 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3hsq s GLY 41 N -0.33 2.08 -1.77 0.62 0.00 -1.26 -2.57 107.32 104.10 3hsq s GLY 41 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 44.72 44.82 3hsq s GLY 41 CO 0.00 0.35 0.00 1.42 0.00 0.00 0.00 173.10 174.87 3hsq n HIS 42 N -1.35 -0.35 -2.98 1.90 8.25 0.12 -2.07 115.22 118.74 3hsq n HIS 42 Ca 0.05 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.17 3hsq n HIS 42 Cb 0.54 -3.12 -0.06 0.00 1.12 0.00 0.00 29.99 28.47 3hsq n HIS 42 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3hsq s VAL 43 N -2.52 4.48 -0.16 1.59 1.01 -1.26 -3.56 120.40 119.98 3hsq s VAL 43 Ca 0.00 1.37 0.01 0.00 0.00 0.00 0.00 61.98 63.36 3hsq s VAL 43 Cb 0.00 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.61 3hsq s VAL 43 CO 0.00 0.00 -0.18 -0.75 0.00 0.00 0.00 175.10 174.17 3hsq s LYS 44 N -2.45 2.73 -0.27 2.72 2.20 -0.80 -0.03 119.74 123.84 3hsq s LYS 44 Ca 0.51 -0.73 -0.06 0.00 -0.36 0.00 0.00 55.97 55.33 3hsq s LYS 44 Cb -0.14 -2.36 0.00 0.00 -1.51 0.00 0.00 37.83 33.82 3hsq s LYS 44 CO 0.19 -0.17 0.05 0.42 -0.36 0.00 0.00 175.35 175.48 3hsq s ILE 45 N 1.25 3.82 0.44 5.43 -1.09 0.44 -0.18 121.20 131.30 3hsq s ILE 45 Ca 0.02 -0.64 0.01 0.00 -2.23 0.00 0.00 60.65 57.81 3hsq s ILE 45 Cb -0.13 -2.92 -0.00 0.00 -1.58 0.00 0.00 42.46 37.83 3hsq s ILE 45 CO -0.10 0.17 0.66 0.00 -1.23 0.00 0.00 174.94 174.44 3hsq n ALA 47 N -2.05 0.80 0.00 0.00 0.00 -1.25 -2.50 120.51 115.51 3hsq n ALA 47 Ca 0.01 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3hsq n ALA 47 Cb 0.58 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.83 3hsq n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hsq n GLY 48 N 1.44 0.39 3.67 0.00 0.00 -0.47 -4.85 105.19 105.36 3hsq n GLY 48 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 3hsq n GLY 48 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hsq s SER 49 N -2.16 7.03 -0.31 1.61 0.01 -1.04 -2.07 113.70 116.76 3hsq s SER 49 Ca 0.00 1.66 0.01 0.00 1.31 0.00 0.00 55.95 58.93 3hsq s SER 49 Cb 0.00 -2.55 0.08 0.00 0.21 0.00 0.00 66.02 63.76 3hsq s SER 49 CO 0.00 -0.66 0.00 -1.61 0.41 0.00 0.00 173.24 171.38 3hsq s GLU 50 N 2.91 2.04 -0.16 12.44 2.02 0.19 -1.98 118.70 136.16 3hsq s GLU 50 Ca 0.53 -1.54 -0.03 0.00 0.02 0.00 0.00 54.97 53.94 3hsq s GLU 50 Cb -0.21 -3.14 -0.02 0.00 0.10 0.00 0.00 34.13 30.86 3hsq s GLU 50 CO 0.16 -0.75 -0.06 0.42 0.02 0.00 0.00 175.26 175.04 3hsq s ILE 51 N 1.08 3.55 0.00 -1.63 1.01 0.85 -1.27 121.20 124.79 3hsq s ILE 51 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.18 3hsq s ILE 51 Cb -0.20 -2.55 0.00 0.00 0.01 0.00 0.00 42.46 39.72 3hsq s ILE 51 CO -0.05 0.49 0.00 0.61 0.00 0.00 0.00 174.94 175.99 3hsq n GLY 52 N 3.78 0.53 3.89 6.18 0.00 -0.28 -0.82 105.19 118.48 3hsq n GLY 52 Ca -0.18 -1.44 -0.34 0.00 0.00 0.00 0.00 46.02 44.06 3hsq n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hsq s LYS 53 N 0.00 3.55 -1.49 1.61 1.02 -1.23 -3.27 119.74 119.94 3hsq s LYS 53 Ca 0.00 -0.12 -0.06 0.00 0.02 0.00 0.00 55.97 55.81 3hsq s LYS 53 Cb 0.00 -3.08 0.02 0.00 -0.52 0.00 0.00 37.83 34.26 3hsq s LYS 53 CO 0.00 0.65 0.58 1.19 -0.92 0.00 0.00 175.35 176.85 3hsq n PHE 54 N 1.07 -1.94 -3.04 3.18 3.01 0.42 -0.55 117.46 119.61 3hsq n PHE 54 Ca -0.11 0.51 -0.31 0.00 1.01 0.00 0.00 57.45 58.56 3hsq n PHE 54 Cb 0.53 -4.12 -0.04 0.00 -0.01 0.00 0.00 39.48 35.84 3hsq n PHE 54 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 3hsq s ASN 55 N -2.71 6.58 -0.06 4.37 0.01 -1.26 -3.39 114.94 118.48 3hsq s ASN 55 Ca 0.33 1.09 0.04 0.00 -0.71 0.00 0.00 52.86 53.61 3hsq s ASN 55 Cb -0.15 -2.30 0.00 0.00 0.41 0.00 0.00 41.25 39.21 3hsq s ASN 55 CO 0.41 -0.30 -0.17 -0.60 -1.51 0.00 0.00 177.10 174.93 3hsq s ARG 56 N -3.51 1.97 -0.28 -0.60 3.52 -0.60 -0.43 118.95 119.02 3hsq s ARG 56 Ca 0.51 -0.62 0.03 0.00 -0.13 0.00 0.00 55.73 55.51 3hsq s ARG 56 Cb -0.10 -1.65 0.07 0.00 -1.56 0.00 0.00 34.95 31.70 3hsq s ARG 56 CO 0.27 0.20 -0.06 -0.06 -0.81 0.00 0.00 175.30 174.83 3hsq s PHE 57 N 0.20 3.37 0.89 5.12 0.40 0.06 -0.35 117.98 127.66 3hsq s PHE 57 Ca -0.08 -2.41 -0.12 0.00 -0.60 0.00 0.00 56.93 53.71 3hsq s PHE 57 Cb -0.13 -2.16 0.13 0.00 0.51 0.00 0.00 43.02 41.36 3hsq s PHE 57 CO 0.03 -0.89 1.12 -1.01 0.70 0.00 0.00 175.22 175.18 3hsq s HIS 58 N 1.08 2.55 0.01 0.36 3.76 0.84 -0.61 115.29 123.28 3hsq s HIS 58 Ca -0.04 0.95 -0.38 0.00 -0.15 0.00 0.00 55.06 55.43 3hsq s HIS 58 Cb -0.20 -3.31 -0.18 0.00 1.11 0.00 0.00 32.58 30.01 3hsq s HIS 58 CO -0.05 -2.27 1.30 0.94 -0.85 0.00 0.00 174.74 173.81 3hsq n GLN 59 N -3.73 0.78 -0.96 1.40 7.27 -1.26 -2.35 117.38 118.54 3hsq n GLN 59 Ca 0.07 0.28 0.00 0.00 0.07 0.00 0.00 57.00 57.42 3hsq n GLN 59 Cb 0.58 -1.88 0.00 0.00 2.41 0.00 0.00 30.24 31.35 3hsq n GLN 59 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3hsq n GLY 60 N 2.41 0.86 3.76 1.69 0.00 -0.88 -2.13 105.19 110.89 3hsq n GLY 60 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3hsq n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hsq n ALA 61 N 1.00 2.40 -3.31 4.61 0.00 -0.99 -3.69 120.51 120.53 3hsq n ALA 61 Ca 0.00 0.36 -0.32 0.00 0.00 0.00 0.00 53.44 53.47 3hsq n ALA 61 Cb 0.00 -2.43 -0.16 0.00 0.00 0.00 0.00 19.45 16.86 3hsq n ALA 61 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3hsq s VAL 62 N -0.59 2.23 -0.13 0.00 -7.23 -0.43 -1.90 120.40 112.35 3hsq s VAL 62 Ca 0.58 -0.95 0.01 0.00 -1.81 0.00 0.00 61.98 59.82 3hsq s VAL 62 Cb -0.49 -1.88 0.02 0.00 0.56 0.00 0.00 36.38 34.59 3hsq s VAL 62 CO 0.57 0.55 -0.16 -0.63 -0.31 0.00 0.00 175.10 175.12 3hsq s ILE 63 N 0.47 1.62 -0.15 -0.62 -1.09 0.74 -1.21 121.20 120.97 3hsq s ILE 63 Ca -0.15 -0.69 0.00 0.00 -2.23 0.00 0.00 60.65 57.58 3hsq s ILE 63 Cb -0.17 -1.48 0.00 0.00 -1.58 0.00 0.00 42.46 39.23 3hsq s ILE 63 CO 0.06 0.47 0.00 0.61 -1.23 0.00 0.00 174.94 174.84 3hsq n GLY 64 N 4.40 0.47 3.72 6.18 0.00 0.81 -0.12 105.19 120.64 3hsq n GLY 64 Ca -0.18 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.53 3hsq n GLY 64 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hsq s VAL 65 N -2.06 2.77 0.27 1.61 -7.23 -1.07 -4.14 120.40 110.57 3hsq s VAL 65 Ca 0.00 0.25 -0.30 0.00 -1.81 0.00 0.00 61.98 60.12 3hsq s VAL 65 Cb 0.00 -2.58 -0.13 0.00 0.56 0.00 0.00 36.38 34.22 3hsq s VAL 65 CO 0.00 -0.33 1.28 0.23 -0.31 0.00 0.00 175.10 175.97 3hsq n MET 66 N -3.87 1.87 -1.62 4.82 2.81 -1.26 -1.91 117.12 117.96 3hsq n MET 66 Ca 0.09 0.66 -0.43 0.00 -1.81 0.00 0.00 57.70 56.21 3hsq n MET 66 Cb 0.53 -2.23 -0.01 0.00 -0.71 0.00 0.00 33.22 30.80 3hsq n MET 66 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 3hsq n PRO 67 N 1.32 1.56 -0.72 0.03 -0.02 -1.26 -4.79 135.00 131.12 3hsq n PRO 67 Ca 0.09 0.55 -0.11 0.00 -2.02 0.00 0.00 63.50 62.02 3hsq n PRO 67 Cb 0.32 -2.00 0.03 0.00 -0.02 0.00 0.00 33.50 31.83 3hsq n PRO 67 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3hsq n GLN 68 N 0.58 1.51 -3.80 -0.52 6.02 -1.26 -4.76 117.38 115.16 3hsq n GLN 68 Ca 0.08 -1.02 -0.37 0.00 -0.01 0.00 0.00 57.00 55.68 3hsq n GLN 68 Cb 0.34 -1.40 -0.13 0.00 1.02 0.00 0.00 30.24 30.07 3hsq n GLN 68 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3hsq s ASP 69 N 0.74 4.95 0.44 1.08 3.68 -1.26 -4.99 116.67 121.30 3hsq s ASP 69 Ca 0.20 -0.69 0.30 0.00 2.13 0.00 0.00 52.55 54.49 3hsq s ASP 69 Cb 0.16 -1.84 1.36 0.00 -1.45 0.00 0.00 42.92 41.15 3hsq s ASP 69 CO 0.00 -0.16 1.91 -0.07 0.13 0.00 0.00 175.17 176.97 3hsq h LEU 70 N 8.19 0.00 -0.58 -1.34 4.07 -2.03 -2.23 115.31 121.39 3hsq h LEU 70 Ca -0.32 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.64 3hsq h LEU 70 Cb 1.13 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.87 3hsq h LEU 70 CO 0.60 0.00 -0.19 0.61 -1.08 0.00 0.00 178.44 178.37 3hsq n GLY 71 N -0.29 -0.50 3.72 0.83 0.00 -1.26 -4.94 105.19 102.74 3hsq n GLY 71 Ca 0.00 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 3hsq n GLY 71 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hsq s PHE 72 N -2.39 3.48 -0.52 1.61 5.36 -0.84 -4.98 117.98 119.70 3hsq s PHE 72 Ca 0.27 1.38 -0.28 0.00 -0.96 0.00 0.00 56.93 57.34 3hsq s PHE 72 Cb 0.20 -3.38 0.02 0.00 -0.34 0.00 0.00 43.02 39.52 3hsq s PHE 72 CO 0.48 -1.08 1.30 1.21 -1.46 0.00 0.00 175.22 175.67 3hsq s ASN 73 N 0.83 6.36 0.00 6.13 2.47 -1.26 -4.90 114.94 124.56 3hsq s ASN 73 Ca 0.56 0.40 0.17 0.00 0.42 0.00 0.00 52.86 54.42 3hsq s ASN 73 Cb -0.29 -2.55 0.82 0.00 -1.45 0.00 0.00 41.25 37.78 3hsq s ASN 73 CO 0.30 -1.50 1.53 0.00 -3.72 0.00 0.00 177.10 173.71 3hsq n GLN 74 N 8.31 0.15 -0.23 0.43 6.02 -1.26 -2.28 117.38 128.52 3hsq n GLN 74 Ca 0.12 0.15 0.05 0.00 -0.01 0.00 0.00 57.00 57.32 3hsq n GLN 74 Cb 0.49 -1.50 0.16 0.00 1.02 0.00 0.00 30.24 30.41 3hsq n GLN 74 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3hsq n GLN 75 N -1.37 2.02 -3.71 -1.09 1.13 -1.26 -4.85 117.38 108.25 3hsq n GLN 75 Ca 0.07 -1.27 -0.36 0.00 -1.94 0.00 0.00 57.00 53.50 3hsq n GLN 75 Cb 0.16 -1.40 -0.07 0.00 0.11 0.00 0.00 30.24 29.04 3hsq n GLN 75 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3hsq s LEU 76 N -1.06 4.31 -0.88 1.08 1.43 -0.97 -5.03 118.68 117.57 3hsq s LEU 76 Ca 0.23 0.47 -0.23 0.00 -1.03 0.00 0.00 54.13 53.57 3hsq s LEU 76 Cb 0.13 -2.21 0.07 0.00 0.03 0.00 0.00 46.19 44.21 3hsq s LEU 76 CO 0.13 0.26 1.26 -0.22 0.23 0.00 0.00 176.35 178.01 3hsq s LEU 77 N -0.27 3.90 0.34 1.79 2.96 -1.26 -4.99 118.68 121.15 3hsq s LEU 77 Ca 0.14 -1.27 0.08 0.00 -0.22 0.00 0.00 54.13 52.86 3hsq s LEU 77 Cb -0.13 -2.51 -0.03 0.00 0.50 0.00 0.00 46.19 44.03 3hsq s LEU 77 CO 0.03 -1.48 0.27 0.42 -1.32 0.00 0.00 176.35 174.27 3hsq s THR 78 N 4.51 3.40 0.22 3.68 -4.23 -1.26 -4.62 115.64 117.34 3hsq s THR 78 Ca 0.37 -1.43 0.11 0.00 -1.18 0.00 0.00 61.69 59.56 3hsq s THR 78 Cb -0.06 -3.14 -0.05 0.00 1.34 0.00 0.00 72.50 70.60 3hsq s THR 78 CO -0.01 -0.17 -0.22 -0.54 -0.54 0.00 0.00 174.62 173.14 3hsq s LYS 79 N -3.97 1.55 -0.24 3.99 1.02 -1.26 -4.34 119.74 116.49 3hsq s LYS 79 Ca 0.41 -1.60 0.01 0.00 0.02 0.00 0.00 55.97 54.81 3hsq s LYS 79 Cb -0.05 -1.78 0.06 0.00 -0.52 0.00 0.00 37.83 35.54 3hsq s LYS 79 CO 0.26 0.37 -0.05 0.99 -0.92 0.00 0.00 175.35 175.99 3hsq s THR 80 N -1.99 1.60 -0.26 2.17 2.01 -0.88 -2.00 115.64 116.30 3hsq s THR 80 Ca 0.23 -1.30 -0.09 0.00 0.31 0.00 0.00 61.69 60.85 3hsq s THR 80 Cb -0.07 -1.86 -0.04 0.00 0.01 0.00 0.00 72.50 70.54 3hsq s THR 80 CO 0.11 -0.12 0.13 -0.69 -0.69 0.00 0.00 174.62 173.36 3hsq s VAL 81 N 1.36 4.83 -0.07 3.82 1.01 0.47 -0.64 120.40 131.18 3hsq s VAL 81 Ca -0.05 0.00 0.03 0.00 0.00 0.00 0.00 61.98 61.96 3hsq s VAL 81 Cb -0.19 -3.27 0.01 0.00 0.00 0.00 0.00 36.38 32.92 3hsq s VAL 81 CO -0.06 0.31 -0.15 -0.63 0.00 0.00 0.00 175.10 174.57 3hsq s ILE 82 N 1.55 1.33 0.00 2.22 1.01 -0.40 0.00 121.20 126.92 3hsq s ILE 82 Ca 0.06 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.11 3hsq s ILE 82 Cb -0.15 -1.19 0.00 0.00 0.01 0.00 0.00 42.46 41.13 3hsq s ILE 82 CO 0.07 0.40 0.00 0.61 0.00 0.00 0.00 174.94 176.01 3hsq n GLY 83 N 3.64 0.90 3.58 6.18 0.00 -0.57 -1.12 105.19 117.81 3hsq n GLY 83 Ca -0.21 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 3hsq n GLY 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hsq s ASP 84 N -1.00 4.43 -1.85 1.61 1.01 -1.23 -2.43 116.67 117.22 3hsq s ASP 84 Ca 0.00 -0.38 0.00 0.00 0.71 0.00 0.00 52.55 52.88 3hsq s ASP 84 Cb 0.00 -0.86 0.00 0.00 1.01 0.00 0.00 42.92 43.07 3hsq s ASP 84 CO 0.00 0.18 0.00 1.41 0.21 0.00 0.00 175.17 176.97 3hsq n HIS 85 N 0.69 -0.49 -2.99 4.23 8.25 0.29 -0.91 115.22 124.30 3hsq n HIS 85 Ca -0.13 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.01 3hsq n HIS 85 Cb 0.52 -3.54 -0.06 0.00 1.12 0.00 0.00 29.99 28.04 3hsq n HIS 85 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3hsq s ASN 86 N -2.44 6.75 -0.13 0.41 0.01 -1.26 -3.38 114.94 114.89 3hsq s ASN 86 Ca 0.00 1.34 0.02 0.00 -0.71 0.00 0.00 52.86 53.52 3hsq s ASN 86 Cb 0.00 -2.40 0.01 0.00 0.41 0.00 0.00 41.25 39.27 3hsq s ASN 86 CO 0.00 -0.29 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.46 3hsq s ILE 87 N -2.13 1.94 -0.27 0.60 1.01 -0.26 -1.56 121.20 120.53 3hsq s ILE 87 Ca 0.55 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 60.29 3hsq s ILE 87 Cb -0.10 -1.72 0.04 0.00 0.01 0.00 0.00 42.46 40.69 3hsq s ILE 87 CO 0.20 0.53 -0.05 -0.36 0.00 0.00 0.00 174.94 175.26 3hsq s PHE 88 N 0.84 3.16 0.94 3.97 0.40 0.52 -0.74 117.98 127.07 3hsq s PHE 88 Ca -0.07 -1.77 -0.15 0.00 -0.60 0.00 0.00 56.93 54.34 3hsq s PHE 88 Cb -0.15 -2.06 0.19 0.00 0.51 0.00 0.00 43.02 41.51 3hsq s PHE 88 CO -0.02 -0.78 1.30 1.03 0.70 0.00 0.00 175.22 177.45 3hsq s ARG 89 N 1.27 0.79 -0.07 0.44 1.81 0.12 -0.11 118.95 123.20 3hsq s ARG 89 Ca -0.03 -0.40 -0.36 0.00 -1.72 0.00 0.00 55.73 53.22 3hsq s ARG 89 Cb -0.18 -1.88 -0.14 0.00 -0.45 0.00 0.00 34.95 32.31 3hsq s ARG 89 CO -0.03 -2.31 1.72 0.39 -0.68 0.00 0.00 175.30 174.39 3hsq n GLU 90 N -3.69 1.76 -1.39 3.54 4.71 -1.26 -1.83 120.64 122.48 3hsq n GLU 90 Ca 0.15 0.64 -0.13 0.00 -0.01 0.00 0.00 57.16 57.81 3hsq n GLU 90 Cb 0.60 -2.41 -0.06 0.00 -1.01 0.00 0.00 31.44 28.56 3hsq n GLU 90 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3hsq n TYR 91 N 5.20 0.00 -1.88 -0.32 4.02 -0.91 -1.45 117.16 121.83 3hsq n TYR 91 Ca 0.22 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.76 3hsq n TYR 91 Cb 0.23 -2.78 0.05 0.00 -0.02 0.00 0.00 39.34 36.82 3hsq n TYR 91 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3hsq s SER 92 N -2.58 5.01 -0.17 7.72 1.04 -0.76 -3.79 113.70 120.16 3hsq s SER 92 Ca 0.00 2.33 -0.03 0.00 0.48 0.00 0.00 55.95 58.73 3hsq s SER 92 Cb 0.00 -2.59 0.05 0.00 0.10 0.00 0.00 66.02 63.58 3hsq s SER 92 CO 0.00 -1.71 0.04 0.21 0.98 0.00 0.00 173.24 172.75 3hsq s ASN 93 N -1.80 2.60 -0.16 7.02 3.84 0.03 -1.31 114.94 125.16 3hsq s ASN 93 Ca 0.75 -0.67 0.00 0.00 0.21 0.00 0.00 52.86 53.16 3hsq s ASN 93 Cb -0.29 -0.52 0.00 0.00 -0.55 0.00 0.00 41.25 39.89 3hsq s ASN 93 CO 0.36 -0.29 -0.15 -0.63 -2.79 0.00 0.00 177.10 173.60 3hsq s ILE 94 N 1.92 2.64 -0.09 -5.21 1.09 -0.35 -1.21 121.20 119.99 3hsq s ILE 94 Ca 0.00 -0.77 -0.05 0.00 -1.10 0.00 0.00 60.65 58.73 3hsq s ILE 94 Cb -0.16 -2.12 -0.04 0.00 -1.06 0.00 0.00 42.46 39.08 3hsq s ILE 94 CO -0.08 0.51 0.12 -1.00 -0.10 0.00 0.00 174.94 174.39 3hsq s HIS 95 N 0.92 3.49 0.96 3.97 3.76 -0.48 -0.14 115.29 127.78 3hsq s HIS 95 Ca -0.03 0.43 -0.12 0.00 -0.15 0.00 0.00 55.06 55.19 3hsq s HIS 95 Cb -0.15 -1.89 0.17 0.00 1.11 0.00 0.00 32.58 31.82 3hsq s HIS 95 CO -0.02 0.67 1.10 -1.59 -0.85 0.00 0.00 174.74 174.05 3hsq s LYS 96 N -1.14 0.73 1.02 1.40 -2.85 -0.80 -4.26 119.74 113.84 3hsq s LYS 96 Ca 0.16 0.54 -0.15 0.00 -1.00 0.00 0.00 55.97 55.53 3hsq s LYS 96 Cb -0.12 -1.77 0.20 0.00 -2.06 0.00 0.00 37.83 34.08 3hsq s LYS 96 CO 0.06 -2.53 1.14 0.20 0.10 0.00 0.00 175.35 174.32 3hsq s GLY 97 N -3.55 1.59 0.00 0.59 0.00 -0.88 -4.03 107.32 101.05 3hsq s GLY 97 Ca 0.65 -0.67 0.19 0.00 0.00 0.00 0.00 44.72 44.88 3hsq s GLY 97 CO 0.57 0.01 1.00 -1.30 0.00 0.00 0.00 173.10 173.38 3hsq n THR 98 N -4.15 0.00 -4.17 0.90 -2.24 -1.21 -4.65 114.28 98.75 3hsq n THR 98 Ca 0.09 -0.38 -0.11 0.00 -2.27 0.00 0.00 64.05 61.38 3hsq n THR 98 Cb 0.59 1.28 -0.10 0.00 -2.10 0.00 0.00 70.33 70.00 3hsq n THR 98 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3hsq s LYS 99 N -1.93 0.89 0.49 -0.78 1.02 -1.24 -4.85 119.74 113.34 3hsq s LYS 99 Ca 0.18 -1.39 0.27 0.00 0.02 0.00 0.00 55.97 55.04 3hsq s LYS 99 Cb 0.15 -0.09 1.20 0.00 -0.52 0.00 0.00 37.83 38.58 3hsq s LYS 99 CO 0.38 -0.10 1.95 0.93 -0.92 0.00 0.00 175.35 177.59 3hsq h GLU 100 N 2.90 0.00 -0.42 1.68 5.08 -1.94 -2.11 114.58 119.77 3hsq h GLU 100 Ca -0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 3hsq h GLU 100 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3hsq h GLU 100 CO 0.63 0.16 0.00 -0.40 -1.00 0.00 0.00 179.01 178.41 3hsq n ASP 101 N -3.46 3.65 -3.60 1.42 5.75 -1.26 -4.77 116.55 114.27 3hsq n ASP 101 Ca -0.01 -2.34 -0.28 0.00 -0.01 0.00 0.00 54.79 52.15 3hsq n ASP 101 Cb 0.34 -0.40 -0.11 0.00 -1.03 0.00 0.00 41.12 39.91 3hsq n ASP 101 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3hsq s SER 102 N -1.20 2.91 0.64 -1.12 0.15 -0.79 -5.13 113.70 109.16 3hsq s SER 102 Ca 0.36 -3.11 -0.11 0.00 0.70 0.00 0.00 55.95 53.78 3hsq s SER 102 Cb 0.23 -0.88 -0.03 0.00 -1.71 0.00 0.00 66.02 63.64 3hsq s SER 102 CO 0.17 -0.18 1.04 -2.16 1.20 0.00 0.00 173.24 173.31 3hsq s PRO 103 N -0.20 3.45 -0.07 5.44 0.04 -1.26 -3.31 135.00 139.09 3hsq s PRO 103 Ca 0.26 0.81 -0.29 0.00 0.04 0.00 0.00 61.00 61.82 3hsq s PRO 103 Cb -0.06 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 3hsq s PRO 103 CO -0.13 -0.69 0.96 0.99 0.04 0.00 0.00 177.00 178.16 3hsq s THR 104 N -3.13 4.85 -0.06 1.26 2.01 -0.85 -4.52 115.64 115.20 3hsq s THR 104 Ca 0.56 1.96 0.05 0.00 0.31 0.00 0.00 61.69 64.58 3hsq s THR 104 Cb -0.12 -4.28 -0.01 0.00 0.01 0.00 0.00 72.50 68.11 3hsq s THR 104 CO 0.54 0.09 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.63 3hsq s VAL 105 N 1.55 1.91 -0.04 3.82 1.01 0.05 -0.40 120.40 128.30 3hsq s VAL 105 Ca 0.48 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3hsq s VAL 105 Cb -0.19 -1.63 0.01 0.00 0.00 0.00 0.00 36.38 34.58 3hsq s VAL 105 CO 0.21 0.53 -0.08 -0.63 0.00 0.00 0.00 175.10 175.14 3hsq s ILE 106 N -0.05 0.75 0.00 2.22 1.01 0.10 -0.77 121.20 124.46 3hsq s ILE 106 Ca -0.06 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.32 3hsq s ILE 106 Cb -0.14 -0.71 0.00 0.00 0.01 0.00 0.00 42.46 41.62 3hsq s ILE 106 CO 0.04 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.85 3hsq n GLY 107 N 3.76 0.86 3.41 6.18 0.00 -0.61 -1.51 105.19 117.28 3hsq n GLY 107 Ca -0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 3hsq n GLY 107 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hsq s ASN 108 N -1.00 3.41 -1.81 1.61 0.01 -1.24 -2.04 114.94 113.89 3hsq s ASN 108 Ca 0.00 -0.80 0.00 0.00 -0.71 0.00 0.00 52.86 51.35 3hsq s ASN 108 Cb 0.00 -0.26 0.00 0.00 0.41 0.00 0.00 41.25 41.40 3hsq s ASN 108 CO 0.00 0.15 0.00 0.29 -1.51 0.00 0.00 177.10 176.03 3hsq n LYS 109 N 0.56 -1.68 -3.30 -0.60 5.02 -0.09 -0.73 118.16 117.35 3hsq n LYS 109 Ca -0.15 1.02 -0.32 0.00 -2.02 0.00 0.00 58.31 56.84 3hsq n LYS 109 Cb 0.55 -5.68 -0.06 0.00 -0.02 0.00 0.00 35.03 29.82 3hsq n LYS 109 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3hsq s ASN 110 N -2.07 6.69 -0.14 4.39 0.01 -1.26 -3.29 114.94 119.27 3hsq s ASN 110 Ca 0.00 1.08 0.01 0.00 -0.71 0.00 0.00 52.86 53.24 3hsq s ASN 110 Cb 0.00 -2.29 0.02 0.00 0.41 0.00 0.00 41.25 39.39 3hsq s ASN 110 CO 0.00 -0.13 -0.16 -0.47 -1.51 0.00 0.00 177.10 174.83 3hsq s TYR 111 N -1.89 2.26 -0.36 2.20 6.14 -0.18 -1.11 117.35 124.42 3hsq s TYR 111 Ca 0.50 -1.20 -0.02 0.00 0.64 0.00 0.00 57.07 56.99 3hsq s TYR 111 Cb -0.11 -1.62 0.08 0.00 0.42 0.00 0.00 41.96 40.74 3hsq s TYR 111 CO 0.19 -0.62 0.10 -0.06 0.64 0.00 0.00 175.55 175.81 3hsq s PHE 112 N 1.20 3.45 0.95 4.97 0.40 0.08 -0.66 117.98 128.37 3hsq s PHE 112 Ca -0.01 -2.19 -0.12 0.00 -0.60 0.00 0.00 56.93 54.01 3hsq s PHE 112 Cb -0.14 -2.70 0.16 0.00 0.51 0.00 0.00 43.02 40.85 3hsq s PHE 112 CO -0.07 -0.89 1.11 -1.64 0.70 0.00 0.00 175.22 174.44 3hsq s MET 113 N 1.18 0.85 0.28 0.44 -1.94 0.39 -0.70 119.30 119.80 3hsq s MET 113 Ca 0.02 0.42 -0.30 0.00 -1.71 0.00 0.00 55.69 54.13 3hsq s MET 113 Cb -0.21 -1.79 -0.13 0.00 2.01 0.00 0.00 34.83 34.70 3hsq s MET 113 CO -0.03 -2.42 1.31 0.41 -0.01 0.00 0.00 175.02 174.28 3hsq n GLY 114 N -1.65 0.57 2.72 -0.03 0.00 -1.26 -1.78 105.19 103.76 3hsq n GLY 114 Ca 0.06 0.41 -0.06 0.00 0.00 0.00 0.00 46.02 46.43 3hsq n GLY 114 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hsq n ASN 115 N 1.49 -5.36 -4.81 1.61 3.02 -0.53 -1.69 115.26 109.00 3hsq n ASN 115 Ca 0.09 0.14 -0.34 0.00 -0.03 0.00 0.00 54.58 54.44 3hsq n ASN 115 Cb 0.33 -3.37 -0.06 0.00 -0.61 0.00 0.00 39.78 36.07 3hsq n ASN 115 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3hsq s SER 116 N -2.27 6.93 -0.10 6.41 1.04 -0.73 -3.95 113.70 121.02 3hsq s SER 116 Ca 0.00 1.77 0.02 0.00 0.48 0.00 0.00 55.95 58.22 3hsq s SER 116 Cb 0.00 -2.55 0.01 0.00 0.10 0.00 0.00 66.02 63.58 3hsq s SER 116 CO 0.00 -0.37 -0.16 -2.28 0.98 0.00 0.00 173.24 171.42 3hsq s HIS 117 N -2.01 1.96 -0.24 5.02 2.46 -0.26 -0.79 115.29 121.44 3hsq s HIS 117 Ca 0.60 -0.88 -0.03 0.00 0.47 0.00 0.00 55.06 55.22 3hsq s HIS 117 Cb -0.13 -1.40 0.01 0.00 -0.13 0.00 0.00 32.58 30.93 3hsq s HIS 117 CO 0.17 -0.44 -0.05 0.08 -2.47 0.00 0.00 174.74 172.03 3hsq s VAL 118 N 0.87 3.13 0.80 0.89 1.01 -0.35 -0.92 120.40 125.83 3hsq s VAL 118 Ca -0.09 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.00 3hsq s VAL 118 Cb -0.15 -2.51 0.07 0.00 0.00 0.00 0.00 36.38 33.79 3hsq s VAL 118 CO 0.00 0.30 1.16 -0.83 0.00 0.00 0.00 175.10 175.73 3hsq s GLY 119 N 1.40 1.60 0.32 4.51 0.00 -0.18 -1.38 107.32 113.59 3hsq s GLY 119 Ca 0.03 -0.58 -0.29 0.00 0.00 0.00 0.00 44.72 43.89 3hsq s GLY 119 CO -0.04 -0.11 1.28 -2.39 0.00 0.00 0.00 173.10 171.84 3hsq n HIS 120 N -3.29 2.14 -1.08 1.90 1.44 -1.26 -2.52 115.22 112.55 3hsq n HIS 120 Ca 0.08 0.55 -0.03 0.00 -2.01 0.00 0.00 57.72 56.31 3hsq n HIS 120 Cb 0.60 -2.40 -0.01 0.00 0.12 0.00 0.00 29.99 28.30 3hsq n HIS 120 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3hsq n ASP 121 N 1.07 -4.55 -4.76 4.39 8.00 -1.26 -1.14 116.55 118.31 3hsq n ASP 121 Ca 0.07 0.07 -0.37 0.00 0.71 0.00 0.00 54.79 55.26 3hsq n ASP 121 Cb 0.35 -2.29 0.02 0.00 -0.02 0.00 0.00 41.12 39.18 3hsq n ASP 121 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hsq s ILE 123 N -1.53 1.42 -0.03 0.00 -1.09 -0.56 -0.77 121.20 118.63 3hsq s ILE 123 Ca 0.71 -0.76 0.07 0.00 -2.23 0.00 0.00 60.65 58.44 3hsq s ILE 123 Cb -0.31 -1.49 -0.02 0.00 -1.58 0.00 0.00 42.46 39.07 3hsq s ILE 123 CO 0.36 0.23 -0.24 -0.76 -1.23 0.00 0.00 174.94 173.30 3hsq s LEU 124 N 1.51 2.04 0.00 2.97 1.43 0.05 -0.67 118.68 126.02 3hsq s LEU 124 Ca 0.01 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 3hsq s LEU 124 Cb -0.15 -1.28 0.00 0.00 0.03 0.00 0.00 46.19 44.79 3hsq s LEU 124 CO -0.09 0.27 0.00 0.61 0.23 0.00 0.00 176.35 177.38 3hsq n GLY 125 N 2.67 0.79 3.48 -3.19 0.00 -0.70 -1.57 105.19 106.67 3hsq n GLY 125 Ca -0.16 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 3hsq n GLY 125 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hsq s ASN 126 N -1.02 3.86 -1.66 1.61 0.01 -1.22 -1.97 114.94 114.55 3hsq s ASN 126 Ca 0.00 -0.55 0.00 0.00 -0.71 0.00 0.00 52.86 51.60 3hsq s ASN 126 Cb 0.00 -0.54 0.00 0.00 0.41 0.00 0.00 41.25 41.12 3hsq s ASN 126 CO 0.00 0.19 0.00 0.59 -1.51 0.00 0.00 177.10 176.37 3hsq n ASN 127 N 0.88 -5.12 -4.87 -1.22 3.02 0.09 -1.11 115.26 106.92 3hsq n ASN 127 Ca -0.16 0.18 -0.31 0.00 -0.03 0.00 0.00 54.58 54.27 3hsq n ASN 127 Cb 0.53 -4.19 -0.03 0.00 -0.61 0.00 0.00 39.78 35.47 3hsq n ASN 127 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3hsq s ASN 128 N -2.47 6.55 -0.09 6.41 0.01 -1.26 -3.69 114.94 120.40 3hsq s ASN 128 Ca 0.00 1.18 0.03 0.00 -0.71 0.00 0.00 52.86 53.36 3hsq s ASN 128 Cb 0.00 -2.34 0.01 0.00 0.41 0.00 0.00 41.25 39.33 3hsq s ASN 128 CO 0.00 -0.40 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.38 3hsq s ILE 129 N -2.35 1.62 -0.35 0.60 1.01 -0.17 -1.01 121.20 120.55 3hsq s ILE 129 Ca 0.52 -0.75 -0.00 0.00 0.00 0.00 0.00 60.65 60.41 3hsq s ILE 129 Cb -0.10 -1.44 0.09 0.00 0.01 0.00 0.00 42.46 41.02 3hsq s ILE 129 CO 0.30 0.46 0.08 -0.22 0.00 0.00 0.00 174.94 175.56 3hsq s LEU 130 N 0.58 4.59 1.02 2.97 2.96 0.16 -0.36 118.68 130.60 3hsq s LEU 130 Ca -0.15 -1.81 -0.15 0.00 -0.22 0.00 0.00 54.13 51.80 3hsq s LEU 130 Cb -0.17 -1.71 0.20 0.00 0.50 0.00 0.00 46.19 45.01 3hsq s LEU 130 CO 0.05 -0.39 1.15 -0.89 -1.32 0.00 0.00 176.35 174.95 3hsq s THR 131 N 1.10 1.88 0.08 3.68 2.01 0.21 -0.46 115.64 124.14 3hsq s THR 131 Ca 0.04 0.00 -0.35 0.00 0.31 0.00 0.00 61.69 61.69 3hsq s THR 131 Cb -0.21 -2.67 -0.14 0.00 0.01 0.00 0.00 72.50 69.50 3hsq s THR 131 CO -0.05 0.00 1.61 1.57 -0.69 0.00 0.00 174.62 177.06 3hsq n HIS 132 N -4.14 2.17 -1.03 4.92 -0.00 -1.26 -2.02 115.22 113.86 3hsq n HIS 132 Ca 0.10 0.28 -0.01 0.00 0.46 0.00 0.00 57.72 58.54 3hsq n HIS 132 Cb 0.59 -2.53 -0.00 0.00 -0.12 0.00 0.00 29.99 27.92 3hsq n HIS 132 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3hsq n GLY 133 N 3.51 0.21 3.79 1.57 0.00 -0.68 -1.37 105.19 112.21 3hsq n GLY 133 Ca 0.19 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3hsq n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hsq s ALA 134 N -1.34 2.92 -0.15 4.61 0.00 -0.86 -4.02 121.76 122.92 3hsq s ALA 134 Ca 0.00 0.71 -0.00 0.00 0.00 0.00 0.00 51.96 52.67 3hsq s ALA 134 Cb 0.00 -3.29 0.03 0.00 0.00 0.00 0.00 23.12 19.86 3hsq s ALA 134 CO 0.00 -0.40 -0.08 0.08 0.00 0.00 0.00 175.76 175.37 3hsq s VAL 135 N -1.80 1.22 -0.28 0.00 1.01 0.84 -1.10 120.40 120.28 3hsq s VAL 135 Ca 0.65 -0.57 -0.11 0.00 0.00 0.00 0.00 61.98 61.94 3hsq s VAL 135 Cb -0.21 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 3hsq s VAL 135 CO 0.25 0.25 0.20 -0.76 0.00 0.00 0.00 175.10 175.05 3hsq s LEU 136 N 1.61 4.04 0.00 3.92 1.43 -0.10 -0.85 118.68 128.72 3hsq s LEU 136 Ca 0.02 -0.01 -0.21 0.00 -1.03 0.00 0.00 54.13 52.90 3hsq s LEU 136 Cb -0.14 -2.14 0.32 0.00 0.03 0.00 0.00 46.19 44.26 3hsq s LEU 136 CO -0.08 -0.06 1.08 0.00 0.23 0.00 0.00 176.35 177.51 3hsq n ALA 137 N 5.08 -3.65 -1.44 4.21 0.00 -0.74 -1.01 120.51 122.95 3hsq n ALA 137 Ca -0.14 -1.64 -0.35 0.00 0.00 0.00 0.00 53.44 51.31 3hsq n ALA 137 Cb 0.52 -0.12 0.10 0.00 0.00 0.00 0.00 19.45 19.95 3hsq n ALA 137 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hsq n GLY 138 N -4.94 0.27 2.44 0.00 0.00 -1.26 -3.45 105.19 98.25 3hsq n GLY 138 Ca 0.15 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 3hsq n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hsq n HIS 139 N -2.54 -0.82 -3.23 1.61 8.25 -0.29 -3.43 115.22 114.77 3hsq n HIS 139 Ca 0.15 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.22 3hsq n HIS 139 Cb 0.49 -3.91 -0.06 0.00 1.12 0.00 0.00 29.99 27.64 3hsq n HIS 139 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3hsq s VAL 140 N -3.00 4.94 -0.15 1.59 1.01 -1.22 -1.85 120.40 121.72 3hsq s VAL 140 Ca 0.00 1.20 0.02 0.00 0.00 0.00 0.00 61.98 63.20 3hsq s VAL 140 Cb 0.00 -3.91 0.01 0.00 0.00 0.00 0.00 36.38 32.48 3hsq s VAL 140 CO 0.00 0.42 -0.21 -0.89 0.00 0.00 0.00 175.10 174.42 3hsq s THR 141 N -0.17 2.16 -0.06 3.92 2.01 -0.64 -1.50 115.64 121.36 3hsq s THR 141 Ca 0.30 -0.94 0.03 0.00 0.31 0.00 0.00 61.69 61.39 3hsq s THR 141 Cb -0.18 -1.88 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 3hsq s THR 141 CO 0.16 0.54 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.75 3hsq s LEU 142 N 0.89 2.85 0.00 4.42 1.02 0.16 0.07 118.68 128.08 3hsq s LEU 142 Ca -0.05 -0.16 0.00 0.00 0.02 0.00 0.00 54.13 53.94 3hsq s LEU 142 Cb -0.15 -1.59 0.00 0.00 0.02 0.00 0.00 46.19 44.46 3hsq s LEU 142 CO -0.03 0.34 0.00 0.61 0.02 0.00 0.00 176.35 177.28 3hsq n GLY 143 N 2.39 0.80 3.35 -3.19 0.00 -0.36 -1.72 105.19 106.45 3hsq n GLY 143 Ca -0.17 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 3hsq n GLY 143 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hsq s ASN 144 N -1.02 3.28 -1.54 1.61 0.01 -1.26 -2.21 114.94 113.80 3hsq s ASN 144 Ca 0.00 -0.45 -0.04 0.00 -0.71 0.00 0.00 52.86 51.66 3hsq s ASN 144 Cb 0.00 -0.43 0.01 0.00 0.41 0.00 0.00 41.25 41.25 3hsq s ASN 144 CO 0.00 0.31 0.48 0.49 -1.51 0.00 0.00 177.10 176.87 3hsq n PHE 145 N 2.22 -1.79 -2.97 2.20 3.72 -0.27 -1.18 117.46 119.40 3hsq n PHE 145 Ca -0.16 0.42 -0.37 0.00 -0.05 0.00 0.00 57.45 57.28 3hsq n PHE 145 Cb 0.51 -4.18 -0.06 0.00 -0.94 0.00 0.00 39.48 34.82 3hsq n PHE 145 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hsq s ALA 146 N -3.11 3.35 -0.23 4.37 0.00 -1.26 -3.14 121.76 121.74 3hsq s ALA 146 Ca 0.26 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.54 3hsq s ALA 146 Cb -0.12 -2.97 0.03 0.00 0.00 0.00 0.00 23.12 20.06 3hsq s ALA 146 CO 0.32 0.27 -0.12 0.12 0.00 0.00 0.00 175.76 176.35 3hsq s PHE 147 N -1.49 3.01 -0.27 0.00 5.36 -0.26 -1.00 117.98 123.33 3hsq s PHE 147 Ca 0.44 -1.73 -0.07 0.00 -0.96 0.00 0.00 56.93 54.61 3hsq s PHE 147 Cb -0.18 -1.99 -0.01 0.00 -0.34 0.00 0.00 43.02 40.50 3hsq s PHE 147 CO 0.23 -0.78 0.07 0.42 -1.46 0.00 0.00 175.22 173.70 3hsq s ILE 148 N 1.27 4.16 1.03 3.12 -1.09 0.51 -0.98 121.20 129.22 3hsq s ILE 148 Ca 0.00 -0.40 -0.17 0.00 -2.23 0.00 0.00 60.65 57.85 3hsq s ILE 148 Cb -0.16 -3.03 0.23 0.00 -1.58 0.00 0.00 42.46 37.92 3hsq s ILE 148 CO -0.07 0.23 1.26 -0.44 -1.23 0.00 0.00 174.94 174.69 3hsq s SER 149 N 1.57 2.45 0.32 3.58 0.01 -0.04 -0.62 113.70 120.97 3hsq s SER 149 Ca 0.05 0.37 -0.29 0.00 1.31 0.00 0.00 55.95 57.39 3hsq s SER 149 Cb -0.16 -0.46 -0.10 0.00 0.21 0.00 0.00 66.02 65.51 3hsq s SER 149 CO 0.03 -3.15 1.33 -0.83 0.41 0.00 0.00 173.24 171.02 3hsq s GLY 150 N -4.60 2.91 -1.94 3.44 0.00 -1.26 -3.11 107.32 102.74 3hsq s GLY 150 Ca 0.73 1.28 0.00 0.00 0.00 0.00 0.00 44.72 46.73 3hsq s GLY 150 CO 0.54 1.97 0.00 1.04 0.00 0.00 0.00 173.10 176.65 3hsq n LEU 151 N 1.01 -1.72 -4.76 0.66 4.77 -0.47 -1.37 117.00 115.12 3hsq n LEU 151 Ca 0.01 0.23 -0.40 0.00 -0.03 0.00 0.00 56.01 55.82 3hsq n LEU 151 Cb 0.42 -2.85 -0.05 0.00 -2.33 0.00 0.00 43.42 38.61 3hsq n LEU 151 CO 0.59 -0.62 0.75 -0.69 -1.33 0.00 0.00 177.39 176.10 3hsq s VAL 152 N -2.89 3.66 -0.21 4.08 1.01 -1.18 -3.84 120.40 121.02 3hsq s VAL 152 Ca 0.00 1.59 -0.00 0.00 0.00 0.00 0.00 61.98 63.57 3hsq s VAL 152 Cb 0.00 -3.98 0.02 0.00 0.00 0.00 0.00 36.38 32.42 3hsq s VAL 152 CO 0.00 0.32 -0.13 0.00 0.00 0.00 0.00 175.10 175.29 3hsq s ALA 153 N -1.26 2.53 -0.23 5.51 0.00 -0.89 -0.11 121.76 127.31 3hsq s ALA 153 Ca 0.46 -1.35 -0.08 0.00 0.00 0.00 0.00 51.96 50.99 3hsq s ALA 153 Cb -0.29 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 3hsq s ALA 153 CO 0.37 -0.59 0.09 0.08 0.00 0.00 0.00 175.76 175.70 3hsq s VAL 154 N 1.30 4.65 0.39 0.00 1.01 -0.03 -1.00 120.40 126.72 3hsq s VAL 154 Ca 0.02 -0.07 -0.26 0.00 0.00 0.00 0.00 61.98 61.68 3hsq s VAL 154 Cb -0.15 -3.15 -0.09 0.00 0.00 0.00 0.00 36.38 32.99 3hsq s VAL 154 CO -0.08 0.37 1.22 -2.28 0.00 0.00 0.00 175.10 174.33 3hsq s HIS 155 N 1.14 3.00 0.38 5.22 2.46 -0.31 -1.80 115.29 125.38 3hsq s HIS 155 Ca 0.05 1.50 -0.24 0.00 0.47 0.00 0.00 55.06 56.85 3hsq s HIS 155 Cb -0.14 -3.50 -0.13 0.00 -0.13 0.00 0.00 32.58 28.68 3hsq s HIS 155 CO 0.04 -1.59 0.61 0.00 -2.47 0.00 0.00 174.74 171.33 3hsq n GLN 156 N 0.16 0.64 -0.98 2.88 10.64 -1.26 -2.88 117.38 126.58 3hsq n GLN 156 Ca 0.04 0.23 0.00 0.00 -1.83 0.00 0.00 57.00 55.44 3hsq n GLN 156 Cb 0.45 -1.52 0.00 0.00 -0.86 0.00 0.00 30.24 28.32 3hsq n GLN 156 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 3hsq n PHE 157 N -0.63 0.00 -2.84 2.61 3.72 -0.77 -4.95 117.46 114.61 3hsq n PHE 157 Ca 0.12 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.16 3hsq n PHE 157 Cb 0.37 -0.73 -0.07 0.00 -0.94 0.00 0.00 39.48 38.11 3hsq n PHE 157 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hsq s PHE 159 N -1.83 3.13 -0.24 0.00 0.40 -1.26 -1.63 117.98 116.55 3hsq s PHE 159 Ca 0.54 0.09 0.02 0.00 -0.60 0.00 0.00 56.93 56.98 3hsq s PHE 159 Cb -0.15 -1.84 0.05 0.00 0.51 0.00 0.00 43.02 41.59 3hsq s PHE 159 CO 0.19 0.35 -0.12 0.08 0.70 0.00 0.00 175.22 176.42 3hsq s VAL 160 N -0.56 2.26 0.82 -0.44 1.01 0.11 -0.71 120.40 122.88 3hsq s VAL 160 Ca 0.09 -1.39 -0.11 0.00 0.00 0.00 0.00 61.98 60.57 3hsq s VAL 160 Cb -0.12 -2.21 0.09 0.00 0.00 0.00 0.00 36.38 34.13 3hsq s VAL 160 CO 0.02 0.13 1.09 -0.83 0.00 0.00 0.00 175.10 175.52 3hsq s GLY 161 N 1.18 1.63 0.47 4.51 0.00 0.46 -1.22 107.32 114.34 3hsq s GLY 161 Ca -0.04 -0.09 -0.24 0.00 0.00 0.00 0.00 44.72 44.35 3hsq s GLY 161 CO -0.07 0.35 1.30 1.22 0.00 0.00 0.00 173.10 175.90 3hsq n ASP 162 N -3.59 2.62 -2.16 1.64 8.00 -1.26 -3.11 116.55 118.68 3hsq n ASP 162 Ca 0.07 1.06 -0.17 0.00 0.71 0.00 0.00 54.79 56.47 3hsq n ASP 162 Cb 0.55 -1.53 -0.03 0.00 -0.02 0.00 0.00 41.12 40.10 3hsq n ASP 162 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3hsq n TYR 163 N -0.48 -0.91 -2.87 1.24 4.02 -0.32 -0.62 117.16 117.23 3hsq n TYR 163 Ca 0.08 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.75 3hsq n TYR 163 Cb 0.41 -3.33 0.02 0.00 -0.02 0.00 0.00 39.34 36.43 3hsq n TYR 163 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3hsq s SER 164 N -2.16 5.61 -0.04 7.72 1.04 -1.18 -3.77 113.70 120.91 3hsq s SER 164 Ca 0.00 0.12 0.01 0.00 0.48 0.00 0.00 55.95 56.56 3hsq s SER 164 Cb 0.00 -1.22 0.02 0.00 0.10 0.00 0.00 66.02 64.92 3hsq s SER 164 CO 0.00 -0.87 -0.05 -0.32 0.98 0.00 0.00 173.24 172.98 3hsq s MET 165 N -4.61 0.87 -0.20 4.02 0.00 0.11 -1.10 119.30 118.38 3hsq s MET 165 Ca 0.52 -0.12 -0.02 0.00 0.00 0.00 0.00 55.69 56.07 3hsq s MET 165 Cb -0.10 -0.86 -0.00 0.00 0.00 0.00 0.00 34.83 33.87 3hsq s MET 165 CO 0.38 -0.07 -0.10 0.08 0.00 0.00 0.00 175.02 175.30 3hsq s VAL 166 N 0.89 2.93 0.71 10.11 1.01 -0.15 0.06 120.40 135.95 3hsq s VAL 166 Ca -0.12 -0.65 -0.11 0.00 0.00 0.00 0.00 61.98 61.10 3hsq s VAL 166 Cb -0.14 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 33.96 3hsq s VAL 166 CO 0.00 0.47 1.07 0.00 0.00 0.00 0.00 175.10 176.64 3hsq s ALA 167 N 1.30 2.58 0.07 5.51 0.00 0.13 -0.86 121.76 130.48 3hsq s ALA 167 Ca 0.04 0.15 -0.34 0.00 0.00 0.00 0.00 51.96 51.81 3hsq s ALA 167 Cb -0.14 -3.20 -0.18 0.00 0.00 0.00 0.00 23.12 19.59 3hsq s ALA 167 CO -0.05 -1.34 0.84 0.41 0.00 0.00 0.00 175.76 175.62 3hsq n GLY 168 N -1.72 -0.75 2.36 0.00 0.00 -1.26 -2.44 105.19 101.38 3hsq n GLY 168 Ca 0.08 0.59 -0.17 0.00 0.00 0.00 0.00 46.02 46.52 3hsq n GLY 168 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hsq n LEU 169 N 1.60 -1.40 -4.76 0.99 4.77 -0.47 -4.74 117.00 112.99 3hsq n LEU 169 Ca 0.18 0.29 -0.40 0.00 -0.03 0.00 0.00 56.01 56.05 3hsq n LEU 169 Cb 0.13 -2.52 -0.04 0.00 -2.33 0.00 0.00 43.42 38.66 3hsq n LEU 169 CO 0.57 -0.62 0.79 0.00 -1.33 0.00 0.00 177.39 176.80 3hsq s ALA 170 N -2.62 3.38 -0.50 -1.18 0.00 -1.02 -4.72 121.76 115.09 3hsq s ALA 170 Ca 0.00 0.89 -0.15 0.00 0.00 0.00 0.00 51.96 52.71 3hsq s ALA 170 Cb 0.00 -3.33 0.10 0.00 0.00 0.00 0.00 23.12 19.89 3hsq s ALA 170 CO 0.00 -0.19 0.42 0.21 0.00 0.00 0.00 175.76 176.20 3hsq s LYS 171 N -1.57 2.91 -0.28 0.00 2.20 -0.13 -2.09 119.74 120.79 3hsq s LYS 171 Ca 0.46 -1.54 -0.18 0.00 -0.36 0.00 0.00 55.97 54.35 3hsq s LYS 171 Cb -0.31 -4.15 -0.02 0.00 -1.51 0.00 0.00 37.83 31.83 3hsq s LYS 171 CO 0.40 -1.16 0.51 0.08 -0.36 0.00 0.00 175.35 174.83 3hsq s VAL 172 N 1.58 5.06 -0.01 4.02 1.01 -0.17 -3.75 120.40 128.14 3hsq s VAL 172 Ca 0.04 0.77 0.00 0.00 0.00 0.00 0.00 61.98 62.78 3hsq s VAL 172 Cb -0.27 -3.86 -0.00 0.00 0.00 0.00 0.00 36.38 32.25 3hsq s VAL 172 CO 0.04 0.02 0.01 1.33 0.00 0.00 0.00 175.10 176.50 3hsq n VAL 173 N 5.22 0.00 -4.42 2.92 0.24 -1.26 -1.16 118.33 119.87 3hsq n VAL 173 Ca -0.04 -0.28 -0.22 0.00 -2.04 0.00 0.00 64.34 61.76 3hsq n VAL 173 Cb 0.50 0.78 -0.09 0.00 -1.47 0.00 0.00 33.84 33.55 3hsq n VAL 173 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3hsq s GLN 174 N -1.46 1.71 0.50 7.34 -0.21 -1.26 -4.90 119.66 121.38 3hsq s GLN 174 Ca 0.00 -1.99 -0.22 0.00 0.02 0.00 0.00 55.36 53.16 3hsq s GLN 174 Cb 0.00 -0.45 -0.08 0.00 1.00 0.00 0.00 33.01 33.48 3hsq s GLN 174 CO 0.01 -0.39 1.14 -0.25 -2.12 0.00 0.00 175.29 173.68 3hsq n ASP 175 N -0.97 1.77 -4.44 5.90 8.00 -0.34 -4.46 116.55 122.01 3hsq n ASP 175 Ca -0.02 0.98 -0.40 0.00 0.71 0.00 0.00 54.79 56.05 3hsq n ASP 175 Cb 0.65 -1.45 -0.11 0.00 -0.02 0.00 0.00 41.12 40.19 3hsq n ASP 175 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hsq s VAL 176 N -1.32 4.86 0.57 2.53 1.01 0.11 -1.26 120.40 126.90 3hsq s VAL 176 Ca 0.68 -0.58 -0.16 0.00 0.00 0.00 0.00 61.98 61.92 3hsq s VAL 176 Cb -0.47 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 3hsq s VAL 176 CO 0.53 -0.13 1.05 -2.16 0.00 0.00 0.00 175.10 174.39 3hsq s PRO 177 N 1.63 3.43 0.46 2.72 0.04 -1.26 -0.41 135.00 141.61 3hsq s PRO 177 Ca 0.04 1.21 -0.24 0.00 0.04 0.00 0.00 61.00 62.05 3hsq s PRO 177 Cb -0.18 -2.05 -0.08 0.00 0.04 0.00 0.00 34.50 32.23 3hsq s PRO 177 CO 0.08 -0.72 1.30 -0.35 0.04 0.00 0.00 177.00 177.35 3hsq n PRO 178 N -1.85 1.89 -1.34 0.56 -0.04 -1.26 -2.82 135.00 130.14 3hsq n PRO 178 Ca 0.09 0.68 -0.12 0.00 -0.04 0.00 0.00 63.50 64.11 3hsq n PRO 178 Cb 0.53 -2.46 -0.05 0.00 -0.04 0.00 0.00 33.50 31.48 3hsq n PRO 178 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3hsq n TYR 179 N -0.46 0.00 -4.30 0.54 4.01 0.21 -4.92 117.16 112.24 3hsq n TYR 179 Ca 0.07 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.57 3hsq n TYR 179 Cb 0.41 -2.31 -0.08 0.00 -0.31 0.00 0.00 39.34 37.05 3hsq n TYR 179 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3hsq s SER 180 N -2.72 4.26 -0.13 7.72 0.01 -1.13 -0.32 113.70 121.39 3hsq s SER 180 Ca 0.00 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 56.33 3hsq s SER 180 Cb 0.00 -0.58 -0.01 0.00 0.21 0.00 0.00 66.02 65.64 3hsq s SER 180 CO 0.00 -0.22 -0.14 -0.89 0.41 0.00 0.00 173.24 172.41 3hsq s THR 181 N -2.49 2.95 -0.06 1.44 2.01 -0.04 0.05 115.64 119.51 3hsq s THR 181 Ca 0.35 -0.69 0.05 0.00 0.31 0.00 0.00 61.69 61.70 3hsq s THR 181 Cb -0.01 -2.24 -0.01 0.00 0.01 0.00 0.00 72.50 70.25 3hsq s THR 181 CO 0.20 0.52 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.74 3hsq s VAL 182 N 0.41 2.34 -0.07 3.82 1.01 0.11 -0.41 120.40 127.60 3hsq s VAL 182 Ca -0.11 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 60.82 3hsq s VAL 182 Cb -0.16 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.36 3hsq s VAL 182 CO 0.05 0.57 0.23 -0.62 0.00 0.00 0.00 175.10 175.33 3hsq s ASP 183 N -0.22 -0.21 0.00 3.32 2.15 -0.74 -0.69 116.67 120.27 3hsq s ASP 183 Ca -0.01 0.38 0.00 0.00 0.43 0.00 0.00 52.55 53.35 3hsq s ASP 183 Cb -0.13 0.44 0.00 0.00 -0.30 0.00 0.00 42.92 42.93 3hsq s ASP 183 CO 0.03 -0.14 0.00 0.61 -0.17 0.00 0.00 175.17 175.51 3hsq n GLY 184 N 2.69 1.45 2.73 2.66 0.00 -1.26 -1.69 105.19 111.76 3hsq n GLY 184 Ca -0.14 -2.23 -0.19 0.00 0.00 0.00 0.00 46.02 43.46 3hsq n GLY 184 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hsq s ASN 185 N 0.00 1.91 0.32 1.61 2.47 -1.26 -0.95 114.94 119.04 3hsq s ASN 185 Ca 0.00 -0.77 -0.29 0.00 0.42 0.00 0.00 52.86 52.22 3hsq s ASN 185 Cb 0.00 0.38 -0.10 0.00 -1.45 0.00 0.00 41.25 40.08 3hsq s ASN 185 CO 0.00 -0.39 1.34 -2.16 -3.72 0.00 0.00 177.10 172.17 3hsq s PRO 186 N 2.32 4.32 0.45 0.43 0.04 -1.26 -5.06 135.00 136.24 3hsq s PRO 186 Ca 0.09 2.26 -0.22 0.00 0.04 0.00 0.00 61.00 63.17 3hsq s PRO 186 Cb -0.14 -3.07 -0.08 0.00 0.04 0.00 0.00 34.50 31.25 3hsq s PRO 186 CO -0.31 -0.25 1.06 -1.54 0.04 0.00 0.00 177.00 175.99 3hsq s SER 187 N -0.34 6.45 0.09 6.66 1.04 -1.06 -5.01 113.70 121.54 3hsq s SER 187 Ca 0.51 2.02 -0.00 0.00 0.48 0.00 0.00 55.95 58.96 3hsq s SER 187 Cb -0.41 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.10 3hsq s SER 187 CO 0.53 -0.71 -0.02 0.42 0.98 0.00 0.00 173.24 174.44 3hsq s THR 188 N -1.80 0.35 -0.10 2.02 -4.23 -0.68 -4.70 115.64 106.49 3hsq s THR 188 Ca 0.64 -1.88 -0.30 0.00 -1.18 0.00 0.00 61.69 58.97 3hsq s THR 188 Cb -0.20 -1.73 -0.03 0.00 1.34 0.00 0.00 72.50 71.88 3hsq s THR 188 CO 0.25 -0.80 1.31 -0.69 -0.54 0.00 0.00 174.62 174.14 3hsq s VAL 189 N -3.85 4.12 -0.06 2.29 1.01 0.12 -1.80 120.40 122.22 3hsq s VAL 189 Ca 0.13 1.40 0.10 0.00 0.00 0.00 0.00 61.98 63.62 3hsq s VAL 189 Cb 0.07 -3.91 -0.24 0.00 0.00 0.00 0.00 36.38 32.31 3hsq s VAL 189 CO -0.05 -0.07 0.58 0.52 0.00 0.00 0.00 175.10 176.08 3hsq n VAL 190 N 5.08 1.63 -1.59 2.92 0.31 0.45 -1.33 118.33 125.80 3hsq n VAL 190 Ca 0.13 -0.77 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 3hsq n VAL 190 Cb 0.45 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 3hsq n VAL 190 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hsq n GLY 191 N 1.64 -0.53 3.86 2.92 0.00 -1.23 -4.91 105.19 106.94 3hsq n GLY 191 Ca -0.20 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.68 3hsq n GLY 191 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hsq s LEU 192 N 0.00 4.05 -1.02 0.99 1.43 -1.26 -0.86 118.68 122.01 3hsq s LEU 192 Ca 0.00 1.12 -0.15 0.00 -1.03 0.00 0.00 54.13 54.07 3hsq s LEU 192 Cb 0.00 -3.93 0.18 0.00 0.03 0.00 0.00 46.19 42.47 3hsq s LEU 192 CO 0.00 -0.21 1.15 0.21 0.23 0.00 0.00 176.35 177.74 3hsq s ASN 193 N -2.52 6.88 0.35 2.29 2.47 0.56 -4.50 114.94 120.47 3hsq s ASN 193 Ca 0.51 -2.65 0.17 0.00 0.42 0.00 0.00 52.86 51.30 3hsq s ASN 193 Cb -0.10 -2.34 0.60 0.00 -1.45 0.00 0.00 41.25 37.96 3hsq s ASN 193 CO 0.22 -0.78 1.71 0.28 -3.72 0.00 0.00 177.10 174.81 3hsq h SER 194 N 7.85 0.00 0.99 -4.21 0.02 -1.94 -2.40 113.55 113.86 3hsq h SER 194 Ca 0.20 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.04 3hsq h SER 194 Cb 0.96 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.49 3hsq h SER 194 CO 1.07 0.43 -0.54 1.62 -1.14 0.00 0.00 176.83 178.27 3hsq h VAL 195 N 0.00 1.10 -0.18 2.27 3.04 -1.97 -1.28 116.25 119.23 3hsq h VAL 195 Ca -0.00 -2.08 -0.05 0.00 -1.01 0.00 0.00 66.70 63.56 3hsq h VAL 195 Cb 0.94 2.22 -0.00 0.00 -2.01 0.00 0.00 31.29 32.44 3hsq h VAL 195 CO 0.06 0.53 -0.10 1.23 -1.01 0.00 0.00 177.57 178.28 3hsq h GLY 196 N 2.51 0.42 1.53 3.17 0.00 -1.76 -2.94 103.07 106.00 3hsq h GLY 196 Ca -0.01 -0.38 -0.16 0.00 0.00 0.00 0.00 47.33 46.79 3hsq h GLY 196 CO 0.07 0.34 -0.57 -0.33 0.00 0.00 0.00 176.54 176.06 3hsq h MET 197 N 0.06 0.49 -0.70 4.80 2.86 -1.37 0.18 114.93 121.25 3hsq h MET 197 Ca 0.04 -0.32 -0.06 0.00 -2.06 0.00 0.00 59.70 57.30 3hsq h MET 197 Cb 0.58 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.25 3hsq h MET 197 CO 0.03 0.93 0.19 0.87 1.06 0.00 0.00 176.91 179.99 3hsq h LYS 198 N 0.38 1.10 -0.01 1.72 1.57 -1.33 -2.50 116.57 117.50 3hsq h LYS 198 Ca 0.00 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 3hsq h LYS 198 Cb 1.11 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.26 3hsq h LYS 198 CO 0.10 0.96 -0.12 0.54 -0.57 0.00 0.00 179.45 180.36 3hsq n ARG 199 N -4.24 0.91 0.00 3.15 1.74 -1.11 -1.59 116.66 115.52 3hsq n ARG 199 Ca 0.05 -0.40 0.14 0.00 -0.77 0.00 0.00 57.85 56.88 3hsq n ARG 199 Cb 0.24 -1.49 0.69 0.00 -1.02 0.00 0.00 32.46 30.88 3hsq n ARG 199 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hsq n ALA 200 N -0.69 2.54 -0.93 7.54 0.00 0.60 -4.93 120.51 124.62 3hsq n ALA 200 Ca 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3hsq n ALA 200 Cb 0.30 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3hsq n ALA 200 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hsq n GLY 201 N 1.34 0.49 3.64 0.00 0.00 -0.62 -4.98 105.19 105.06 3hsq n GLY 201 Ca 0.12 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.68 3hsq n GLY 201 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hsq n PHE 202 N -2.40 1.90 -1.67 1.61 0.99 -1.02 -4.96 117.46 111.91 3hsq n PHE 202 Ca 0.00 0.50 -0.33 0.00 -0.00 0.00 0.00 57.45 57.62 3hsq n PHE 202 Cb 0.09 -2.41 0.06 0.00 -1.00 0.00 0.00 39.48 36.22 3hsq n PHE 202 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 3hsq s SER 203 N 0.25 4.96 0.44 4.37 1.04 -1.26 -4.79 113.70 118.71 3hsq s SER 203 Ca 0.71 2.00 0.26 0.00 0.48 0.00 0.00 55.95 59.40 3hsq s SER 203 Cb -0.72 -2.55 1.29 0.00 0.10 0.00 0.00 66.02 64.14 3hsq s SER 203 CO 0.50 -1.73 1.73 -0.65 0.98 0.00 0.00 173.24 174.07 3hsq h PRO 204 N -0.15 0.22 -0.13 4.02 0.11 -1.99 -1.01 132.00 133.07 3hsq h PRO 204 Ca -0.46 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 3hsq h PRO 204 Cb 1.25 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3hsq h PRO 204 CO 0.53 0.14 -0.01 0.93 -0.21 0.00 0.00 178.00 179.38 3hsq h GLU 205 N 0.23 0.25 -0.81 1.05 3.07 -1.99 -0.71 114.58 115.66 3hsq h GLU 205 Ca 0.66 -0.09 -0.03 0.00 -0.50 0.00 0.00 59.36 59.41 3hsq h GLU 205 Cb 2.00 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 29.86 3hsq h GLU 205 CO -0.27 0.51 0.40 0.28 -1.40 0.00 0.00 179.01 178.53 3hsq h VAL 206 N -0.04 1.25 -0.59 3.13 2.07 -1.59 -1.41 116.25 119.08 3hsq h VAL 206 Ca 0.04 -0.69 -0.10 0.00 0.82 0.00 0.00 66.70 66.76 3hsq h VAL 206 Cb 0.41 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 3hsq h VAL 206 CO 0.01 0.30 -0.04 0.03 0.02 0.00 0.00 177.57 177.89 3hsq h ARG 207 N 1.15 1.06 -0.75 1.57 3.08 -1.19 -0.69 114.38 118.60 3hsq h ARG 207 Ca 0.28 -0.36 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 3hsq h ARG 207 Cb 0.10 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 3hsq h ARG 207 CO -0.04 1.06 0.33 -0.91 -1.07 0.00 0.00 179.97 179.34 3hsq h ASN 208 N 0.95 1.01 -0.54 7.04 2.35 -0.95 -0.07 115.58 125.37 3hsq h ASN 208 Ca 0.16 -0.15 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 3hsq h ASN 208 Cb 0.61 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.69 3hsq h ASN 208 CO 0.04 0.88 0.14 0.00 -1.65 0.00 0.00 177.43 176.84 3hsq h ALA 209 N 1.17 0.71 -0.50 -0.83 0.00 -1.09 0.15 119.26 118.87 3hsq h ALA 209 Ca 0.26 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3hsq h ALA 209 Cb 0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3hsq h ALA 209 CO -0.03 0.40 0.22 0.82 0.00 0.00 0.00 179.25 180.66 3hsq h ILE 210 N 0.76 1.20 -0.51 0.00 2.04 -0.97 -1.56 117.51 118.48 3hsq h ILE 210 Ca 0.17 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 3hsq h ILE 210 Cb 0.33 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 3hsq h ILE 210 CO 0.00 0.23 0.25 0.50 0.00 0.00 0.00 178.15 179.14 3hsq h LYS 211 N 0.67 0.72 -0.80 2.37 3.64 -0.87 -2.66 116.57 119.64 3hsq h LYS 211 Ca 0.17 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3hsq h LYS 211 Cb 0.16 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.81 3hsq h LYS 211 CO -0.02 0.60 0.49 1.25 -2.27 0.00 0.00 179.45 179.50 3hsq h HIS 212 N 0.67 1.05 -0.99 1.91 2.76 -0.60 -0.74 115.15 119.21 3hsq h HIS 212 Ca 0.18 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.38 3hsq h HIS 212 Cb 0.10 -0.35 -0.06 0.00 1.55 0.00 0.00 27.41 28.66 3hsq h HIS 212 CO -0.01 0.70 0.65 0.00 -1.30 0.00 0.00 177.93 177.97 3hsq h ALA 213 N 1.26 1.32 0.00 5.26 0.00 -1.05 -1.87 119.26 124.17 3hsq h ALA 213 Ca 0.29 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 3hsq h ALA 213 Cb -0.05 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 3hsq h ALA 213 CO -0.06 0.55 -0.37 1.88 0.00 0.00 0.00 179.25 181.25 3hsq h TYR 214 N 1.26 0.00 -0.32 0.00 0.05 -1.22 -1.66 116.97 115.08 3hsq h TYR 214 Ca 0.39 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.17 3hsq h TYR 214 Cb -0.00 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 3hsq h TYR 214 CO -0.00 0.35 0.19 -0.22 -1.05 0.00 0.00 178.16 177.42 3hsq h LYS 215 N 0.00 0.44 0.05 4.88 3.64 -0.57 0.20 116.57 125.20 3hsq h LYS 215 Ca -0.01 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3hsq h LYS 215 Cb 1.27 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3hsq h LYS 215 CO 0.04 0.34 -0.02 0.28 -2.27 0.00 0.00 179.45 177.82 3hsq h VAL 216 N 0.41 1.11 -0.41 2.00 2.07 -1.31 0.32 116.25 120.44 3hsq h VAL 216 Ca 0.11 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 3hsq h VAL 216 Cb 0.02 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3hsq h VAL 216 CO -0.02 0.13 0.23 0.40 0.02 0.00 0.00 177.57 178.34 3hsq h ILE 217 N -0.29 1.14 0.00 4.57 2.04 -1.27 -3.35 117.51 120.35 3hsq h ILE 217 Ca -0.01 -0.36 -0.15 0.00 1.00 0.00 0.00 64.86 65.35 3hsq h ILE 217 Cb 0.26 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 3hsq h ILE 217 CO 0.01 0.15 -1.64 -1.22 0.00 0.00 0.00 178.15 175.45 3hsq n TYR 218 N -4.74 0.00 -1.65 1.37 4.01 0.68 -4.68 117.16 112.15 3hsq n TYR 218 Ca 0.00 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.79 3hsq n TYR 218 Cb 0.07 -0.44 0.20 0.00 -0.31 0.00 0.00 39.34 38.85 3hsq n TYR 218 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3hsq n HIS 219 N -2.27 0.14 -0.04 -0.72 8.25 0.11 -4.68 115.22 116.01 3hsq n HIS 219 Ca -0.13 -1.51 0.00 0.00 -0.26 0.00 0.00 57.72 55.81 3hsq n HIS 219 Cb 0.72 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.57 3hsq n HIS 219 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3hsq n SER 220 N -1.06 1.07 -1.86 0.41 7.64 -1.02 -4.87 113.62 113.94 3hsq n SER 220 Ca 0.20 -1.11 -0.15 0.00 1.01 0.00 0.00 58.87 58.82 3hsq n SER 220 Cb 0.72 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.92 3hsq n SER 220 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hsq n GLY 221 N -0.06 -0.23 3.28 0.23 0.00 -1.26 -5.02 105.19 102.14 3hsq n GLY 221 Ca 0.00 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 3hsq n GLY 221 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3hsq s ILE 222 N -2.82 1.63 0.63 -0.61 -4.36 -1.26 -5.13 121.20 109.28 3hsq s ILE 222 Ca 0.06 -1.66 -0.17 0.00 -0.26 0.00 0.00 60.65 58.63 3hsq s ILE 222 Cb -0.03 -1.59 -0.08 0.00 1.25 0.00 0.00 42.46 42.01 3hsq s ILE 222 CO 0.08 -0.20 0.40 -1.20 0.24 0.00 0.00 174.94 174.26 3hsq n SER 223 N 0.79 -1.59 -0.30 4.36 7.64 -1.26 -4.71 113.62 118.54 3hsq n SER 223 Ca -0.17 0.66 -0.02 0.00 1.01 0.00 0.00 58.87 60.35 3hsq n SER 223 Cb 0.55 -1.13 0.11 0.00 -1.01 0.00 0.00 64.21 62.72 3hsq n SER 223 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hsq h THR 224 N -0.04 1.13 -0.06 0.44 1.03 -1.96 0.20 112.91 113.65 3hsq h THR 224 Ca -0.45 -0.36 0.01 0.00 -0.01 0.00 0.00 66.41 65.60 3hsq h THR 224 Cb 1.38 -0.00 -0.01 0.00 -1.07 0.00 0.00 68.15 68.45 3hsq h THR 224 CO 0.44 0.19 0.01 -0.09 -0.01 0.00 0.00 175.52 176.06 3hsq h ARG 225 N 1.04 0.03 -0.13 0.00 2.43 -1.97 -0.59 114.38 115.19 3hsq h ARG 225 Ca 0.34 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.40 3hsq h ARG 225 Cb 0.02 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3hsq h ARG 225 CO -0.12 0.02 -0.40 0.87 -1.51 0.00 0.00 179.97 178.83 3hsq h LYS 226 N 0.03 0.29 -0.61 0.20 1.57 -1.87 -2.01 116.57 114.17 3hsq h LYS 226 Ca 0.03 -0.14 -0.08 0.00 -1.87 0.00 0.00 60.65 58.60 3hsq h LYS 226 Cb 0.03 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3hsq h LYS 226 CO -0.04 0.65 0.08 0.00 -0.57 0.00 0.00 179.45 179.57 3hsq h ALA 227 N 1.34 0.81 -0.48 3.86 0.00 -0.39 -1.10 119.26 123.30 3hsq h ALA 227 Ca 0.02 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 3hsq h ALA 227 Cb 0.81 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3hsq h ALA 227 CO 0.06 0.58 0.16 -0.07 0.00 0.00 0.00 179.25 179.98 3hsq h LEU 228 N 0.92 0.69 -0.26 0.00 4.07 -0.94 -1.96 115.31 117.82 3hsq h LEU 228 Ca 0.18 -0.19 0.05 0.00 0.08 0.00 0.00 57.88 58.00 3hsq h LEU 228 Cb 0.45 -0.18 -0.05 0.00 1.08 0.00 0.00 40.66 41.96 3hsq h LEU 228 CO 0.01 0.70 -0.08 0.44 -1.08 0.00 0.00 178.44 178.44 3hsq h ASP 229 N 0.64 -0.27 -0.36 -0.43 3.32 -1.29 -2.80 116.42 115.23 3hsq h ASP 229 Ca 0.16 0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.33 3hsq h ASP 229 Cb 0.25 0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 3hsq h ASP 229 CO -0.01 -0.10 0.12 -0.08 -1.72 0.00 0.00 179.24 177.45 3hsq h GLU 230 N -0.02 0.25 -0.69 3.56 4.81 -0.96 -1.54 114.58 119.99 3hsq h GLU 230 Ca 0.13 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.41 3hsq h GLU 230 Cb 0.21 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.48 3hsq h GLU 230 CO -0.28 0.17 0.38 -0.07 -0.73 0.00 0.00 179.01 178.48 3hsq h LEU 231 N 0.26 0.56 -0.95 1.64 3.38 -1.29 -2.43 115.31 116.48 3hsq h LEU 231 Ca 0.16 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 3hsq h LEU 231 Cb 0.15 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3hsq h LEU 231 CO -0.17 0.35 -0.35 -0.33 0.09 0.00 0.00 178.44 178.02 3hsq h GLU 232 N 0.69 0.00 -0.01 1.13 5.08 -1.16 -2.66 114.58 117.65 3hsq h GLU 232 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 3hsq h GLU 232 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3hsq h GLU 232 CO -0.20 0.35 -0.08 0.00 -1.00 0.00 0.00 179.01 178.09 3hsq n ALA 233 N -2.29 2.73 1.13 3.43 0.00 -0.63 -4.08 120.51 120.80 3hsq n ALA 233 Ca -0.00 -0.41 0.13 0.00 0.00 0.00 0.00 53.44 53.16 3hsq n ALA 233 Cb 0.50 -1.18 0.38 0.00 0.00 0.00 0.00 19.45 19.15 3hsq n ALA 233 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hsq n SER 234 N -0.18 0.58 0.00 0.00 3.41 -0.94 -5.05 113.62 111.44 3hsq n SER 234 Ca 0.17 -0.39 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 3hsq n SER 234 Cb 0.34 0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 3hsq n SER 234 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hsq n GLY 235 N 1.42 0.46 3.56 5.00 0.00 -1.26 -5.02 105.19 109.36 3hsq n GLY 235 Ca 0.09 -2.23 -0.48 0.00 0.00 0.00 0.00 46.02 43.41 3hsq n GLY 235 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hsq n ASN 236 N 0.00 2.85 -4.84 1.61 4.13 -1.26 -4.89 115.26 112.85 3hsq n ASN 236 Ca 0.00 0.48 -0.37 0.00 1.68 0.00 0.00 54.58 56.38 3hsq n ASN 236 Cb 0.00 -1.39 -0.06 0.00 -1.54 0.00 0.00 39.78 36.79 3hsq n ASN 236 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3hsq s LEU 237 N 6.83 4.34 0.77 3.41 1.43 -1.26 -5.10 118.68 129.10 3hsq s LEU 237 Ca 1.02 0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 54.42 3hsq s LEU 237 Cb -0.64 -2.07 0.05 0.00 0.03 0.00 0.00 46.19 43.56 3hsq s LEU 237 CO 0.45 0.36 1.10 0.27 0.23 0.00 0.00 176.35 178.76 3hsq s ILE 238 N -0.73 3.14 0.33 -0.59 -4.36 -1.26 -4.83 121.20 112.90 3hsq s ILE 238 Ca 0.13 0.37 0.01 0.00 -0.26 0.00 0.00 60.65 60.91 3hsq s ILE 238 Cb -0.12 -3.22 0.23 0.00 1.25 0.00 0.00 42.46 40.60 3hsq s ILE 238 CO 0.03 -0.48 1.95 -0.33 0.24 0.00 0.00 174.94 176.35 3hsq h GLU 239 N -0.94 0.81 -0.71 0.37 3.07 -1.99 -0.94 114.58 114.25 3hsq h GLU 239 Ca -0.46 -0.09 -0.07 0.00 -0.50 0.00 0.00 59.36 58.25 3hsq h GLU 239 Cb 1.27 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 28.98 3hsq h GLU 239 CO 0.61 0.60 0.18 1.96 -1.40 0.00 0.00 179.01 180.97 3hsq h GLN 240 N 0.82 1.13 -0.12 2.33 7.50 -1.98 -0.80 115.11 123.99 3hsq h GLN 240 Ca 0.21 -0.26 -0.23 0.00 0.50 0.00 0.00 58.65 58.87 3hsq h GLN 240 Cb 0.03 -0.15 0.01 0.00 0.05 0.00 0.00 27.48 27.42 3hsq h GLN 240 CO -0.03 0.99 -0.82 0.28 -1.50 0.00 0.00 178.83 177.74 3hsq h VAL 241 N 1.07 1.29 -0.49 -0.54 2.07 -1.80 -1.91 116.25 115.94 3hsq h VAL 241 Ca 0.23 -2.04 0.01 0.00 0.82 0.00 0.00 66.70 65.71 3hsq h VAL 241 Cb 0.36 2.07 -0.03 0.00 -1.52 0.00 0.00 31.29 32.17 3hsq h VAL 241 CO 0.00 0.64 0.33 0.11 0.02 0.00 0.00 177.57 178.67 3hsq h LYS 242 N 0.49 0.62 -0.37 1.57 1.57 -1.11 -1.16 116.57 118.17 3hsq h LYS 242 Ca -0.06 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.52 3hsq h LYS 242 Cb 1.45 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.62 3hsq h LYS 242 CO 0.17 0.41 -0.37 -0.92 -0.57 0.00 0.00 179.45 178.16 3hsq h TYR 243 N 0.63 1.09 0.08 -1.35 -0.00 -0.98 -1.82 116.97 114.63 3hsq h TYR 243 Ca 0.19 -0.33 0.00 0.00 -0.00 0.00 0.00 58.73 58.59 3hsq h TYR 243 Cb -0.02 -0.23 -0.01 0.00 -0.00 0.00 0.00 36.73 36.47 3hsq h TYR 243 CO -0.00 1.15 -0.09 0.82 -0.00 0.00 0.00 178.16 180.05 3hsq h ILE 244 N 0.72 0.80 -0.41 1.81 2.04 -0.79 -0.01 117.51 121.68 3hsq h ILE 244 Ca 0.06 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.94 3hsq h ILE 244 Cb 0.97 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 3hsq h ILE 244 CO 0.09 0.00 0.23 0.40 0.00 0.00 0.00 178.15 178.87 3hsq h ILE 245 N -0.19 1.01 -0.65 -0.67 2.04 -1.24 -1.93 117.51 115.89 3hsq h ILE 245 Ca 0.01 -0.16 0.01 0.00 1.00 0.00 0.00 64.86 65.73 3hsq h ILE 245 Cb 0.19 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 3hsq h ILE 245 CO -0.03 0.08 0.42 0.50 0.00 0.00 0.00 178.15 179.13 3hsq h LYS 246 N 0.46 0.83 -0.28 2.37 3.64 -1.20 -0.60 116.57 121.79 3hsq h LYS 246 Ca 0.17 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.55 3hsq h LYS 246 Cb 0.04 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.63 3hsq h LYS 246 CO -0.09 0.55 0.01 0.35 -2.27 0.00 0.00 179.45 177.99 3hsq h PHE 247 N 0.85 0.01 -0.43 1.91 3.57 -0.43 -0.12 116.94 122.30 3hsq h PHE 247 Ca 0.25 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.73 3hsq h PHE 247 Cb -0.06 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 3hsq h PHE 247 CO -0.04 -0.03 0.10 0.74 -2.23 0.00 0.00 178.31 176.85 3hsq h PHE 248 N 0.10 0.72 -0.47 0.41 -1.00 -1.17 -2.96 116.94 112.57 3hsq h PHE 248 Ca 0.14 -0.09 0.00 0.00 2.81 0.00 0.00 57.97 60.83 3hsq h PHE 248 Cb 0.17 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 39.51 3hsq h PHE 248 CO -0.21 0.68 0.31 0.00 -1.61 0.00 0.00 178.31 177.48 3hsq h ARG 249 N 0.55 0.63 -0.02 1.51 2.47 -0.79 -3.08 114.38 115.65 3hsq h ARG 249 Ca 0.13 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.81 3hsq h ARG 249 Cb 0.32 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 3hsq h ARG 249 CO 0.00 0.42 0.00 -0.25 0.56 0.00 0.00 179.97 180.70 3hsq n ASP 250 N -4.75 0.80 -4.73 7.04 8.00 -0.09 -4.92 116.55 117.91 3hsq n ASP 250 Ca 0.02 -1.30 -0.42 0.00 0.71 0.00 0.00 54.79 53.80 3hsq n ASP 250 Cb 0.03 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.09 3hsq n ASP 250 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3hsq s SER 251 N -1.95 6.64 -0.18 -2.24 0.15 -1.12 -4.94 113.70 110.06 3hsq s SER 251 Ca 0.41 2.61 -0.24 0.00 0.70 0.00 0.00 55.95 59.43 3hsq s SER 251 Cb 0.21 -2.60 -0.21 0.00 -1.71 0.00 0.00 66.02 61.70 3hsq s SER 251 CO 0.34 -0.76 0.43 0.44 1.20 0.00 0.00 173.24 174.89 3hsq h ASP 252 N 6.10 0.00 0.88 5.45 3.32 -1.91 -3.39 116.42 126.87 3hsq h ASP 252 Ca -0.44 -0.69 0.00 0.00 0.02 0.00 0.00 57.03 55.92 3hsq h ASP 252 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3hsq h ASP 252 CO 0.85 1.28 -0.50 0.54 -1.72 0.00 0.00 179.24 179.69 3hsq n ARG 253 N -4.51 0.22 0.00 3.56 1.74 -1.26 -5.06 116.66 111.35 3hsq n ARG 253 Ca -0.23 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 3hsq n ARG 253 Cb 0.59 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 3hsq n ARG 253 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hsq n GLY 254 N 1.37 1.60 3.78 -0.13 0.00 -1.26 -4.89 105.19 105.66 3hsq n GLY 254 Ca 0.04 -1.95 -0.36 0.00 0.00 0.00 0.00 46.02 43.76 3hsq n GLY 254 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hsq s VAL 255 N -2.41 4.96 0.08 1.61 1.01 -1.26 -1.19 120.40 123.19 3hsq s VAL 255 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 61.98 61.61 3hsq s VAL 255 Cb 0.00 -3.14 -0.17 0.00 0.00 0.00 0.00 36.38 33.07 3hsq s VAL 255 CO 0.00 0.60 1.29 0.41 0.00 0.00 0.00 175.10 177.41 3hsq n THR 256 N 2.14 0.06 -1.58 3.92 -1.04 -0.39 -4.78 114.28 112.61 3hsq n THR 256 Ca -0.19 -0.01 -0.30 0.00 -2.04 0.00 0.00 64.05 61.50 3hsq n THR 256 Cb 0.54 -0.71 0.07 0.00 -1.82 0.00 0.00 70.33 68.42 3hsq n THR 256 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3hsq s ASN 257 N 0.39 4.88 0.46 8.00 3.84 -1.26 -4.51 114.94 126.73 3hsq s ASN 257 Ca 0.85 1.41 -0.20 0.00 0.21 0.00 0.00 52.86 55.13 3hsq s ASN 257 Cb -0.99 -2.21 -0.10 0.00 -0.55 0.00 0.00 41.25 37.40 3hsq s ASN 257 CO 0.48 -1.73 0.97 -2.28 -2.79 0.00 0.00 177.10 171.75 3hsq s HIS 258 N -3.12 3.32 -2.00 0.43 2.46 -1.26 -0.70 115.29 114.41 3hsq s HIS 258 Ca 0.60 1.57 0.13 0.00 0.47 0.00 0.00 55.06 57.82 3hsq s HIS 258 Cb -0.14 -2.85 0.76 0.00 -0.13 0.00 0.00 32.58 30.22 3hsq s HIS 258 CO 0.54 -0.24 1.19 -2.13 -2.47 0.00 0.00 174.74 171.64