#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hsq s LYS 2 N 0.00 0.26 -0.13 0.03 2.47 -1.25 -5.00 119.74 116.12 3hsq s LYS 2 Ca 0.00 0.93 0.01 0.00 -1.56 0.00 0.00 55.97 55.35 3hsq s LYS 2 Cb 0.00 0.19 -0.01 0.00 -1.46 0.00 0.00 37.83 36.55 3hsq s LYS 2 CO 0.00 -0.27 -0.16 0.42 0.16 0.00 0.00 175.35 175.50 3hsq s ILE 3 N 2.54 2.76 0.25 5.43 1.01 -1.26 -2.58 121.20 129.36 3hsq s ILE 3 Ca -0.01 -0.76 -0.30 0.00 0.00 0.00 0.00 60.65 59.59 3hsq s ILE 3 Cb -0.12 -2.14 -0.09 0.00 0.01 0.00 0.00 42.46 40.11 3hsq s ILE 3 CO -0.11 0.53 1.29 -2.28 0.00 0.00 0.00 174.94 174.37 3hsq s HIS 4 N 0.44 3.21 0.42 3.97 2.46 -0.48 -4.92 115.29 120.39 3hsq s HIS 4 Ca -0.12 1.33 0.24 0.00 0.47 0.00 0.00 55.06 56.98 3hsq s HIS 4 Cb -0.16 -3.60 1.25 0.00 -0.13 0.00 0.00 32.58 29.93 3hsq s HIS 4 CO 0.05 -1.76 1.71 -1.35 -2.47 0.00 0.00 174.74 170.93 3hsq h PRO 5 N 4.52 0.25 -0.01 2.88 0.11 -1.94 -0.53 132.00 137.28 3hsq h PRO 5 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3hsq h PRO 5 Cb 1.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3hsq h PRO 5 CO 0.72 0.16 -0.12 0.25 -0.21 0.00 0.00 178.00 178.80 3hsq n THR 6 N -4.64 0.00 -2.45 -1.15 -2.24 -1.26 -4.85 114.28 97.68 3hsq n THR 6 Ca 0.30 -0.12 -0.41 0.00 -2.27 0.00 0.00 64.05 61.55 3hsq n THR 6 Cb 1.11 0.15 -0.04 0.00 -2.10 0.00 0.00 70.33 69.45 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 -2.34 3.39 -0.38 6.98 0.00 -0.21 -3.59 121.76 125.60 3hsq s ALA 7 Ca 0.31 0.86 -0.11 0.00 0.00 0.00 0.00 51.96 53.02 3hsq s ALA 7 Cb 0.20 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.97 3hsq s ALA 7 CO 0.45 -0.30 0.22 0.42 0.00 0.00 0.00 175.76 176.55 3hsq s ILE 8 N 0.04 4.59 -0.12 0.00 1.01 0.49 -4.96 121.20 122.25 3hsq s ILE 8 Ca 0.52 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 60.28 3hsq s ILE 8 Cb -0.30 -3.60 0.01 0.00 0.01 0.00 0.00 42.46 38.58 3hsq s ILE 8 CO 0.35 -0.28 -0.20 -0.63 0.00 0.00 0.00 174.94 174.18 3hsq s ILE 9 N 1.55 1.85 0.29 2.92 1.01 -1.26 -0.08 121.20 127.48 3hsq s ILE 9 Ca 0.02 -0.86 -0.30 0.00 0.00 0.00 0.00 60.65 59.51 3hsq s ILE 9 Cb -0.20 -1.65 -0.11 0.00 0.01 0.00 0.00 42.46 40.51 3hsq s ILE 9 CO 0.06 0.51 1.62 -0.62 0.00 0.00 0.00 174.94 176.51 3hsq s ASP 10 N 0.82 6.35 0.54 3.58 -1.08 0.10 -4.88 116.67 122.10 3hsq s ASP 10 Ca -0.08 2.96 0.30 0.00 -0.52 0.00 0.00 52.55 55.21 3hsq s ASP 10 Cb -0.16 -2.63 1.47 0.00 -1.46 0.00 0.00 42.92 40.14 3hsq s ASP 10 CO -0.01 -0.94 1.91 -0.65 0.52 0.00 0.00 175.17 176.01 3hsq h PRO 11 N 5.00 0.00 0.00 4.34 0.11 -1.93 -2.04 132.00 137.48 3hsq h PRO 11 Ca -0.47 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 3hsq h PRO 11 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3hsq h PRO 11 CO 0.81 0.00 -0.25 0.87 -0.21 0.00 0.00 178.00 179.21 3hsq h LYS 12 N 0.00 0.00 -6.74 1.05 6.56 -1.91 -3.46 116.57 112.07 3hsq h LYS 12 Ca 0.38 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 59.44 3hsq h LYS 12 Cb 1.53 0.00 0.07 0.00 -0.57 0.00 0.00 32.23 33.27 3hsq h LYS 12 CO -0.00 0.25 0.95 0.00 -2.06 0.00 0.00 179.45 178.59 3hsq n ALA 13 N -2.17 2.75 -3.06 3.86 0.00 -0.77 -4.62 120.51 116.50 3hsq n ALA 13 Ca 0.03 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.43 3hsq n ALA 13 Cb 0.63 -2.50 -0.09 0.00 0.00 0.00 0.00 19.45 17.49 3hsq n ALA 13 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3hsq s GLU 14 N 0.20 2.81 -0.11 0.00 2.02 0.86 -4.99 118.70 119.50 3hsq s GLU 14 Ca 0.68 -1.40 0.04 0.00 0.02 0.00 0.00 54.97 54.31 3hsq s GLU 14 Cb -0.49 -3.97 0.00 0.00 0.10 0.00 0.00 34.13 29.77 3hsq s GLU 14 CO 0.42 -0.99 -0.23 -0.51 0.02 0.00 0.00 175.26 173.96 3hsq s LEU 15 N 1.54 2.12 0.56 1.80 1.43 -1.26 -0.38 118.68 124.49 3hsq s LEU 15 Ca 0.04 -0.56 -0.20 0.00 -1.03 0.00 0.00 54.13 52.38 3hsq s LEU 15 Cb -0.24 -1.42 -0.06 0.00 0.03 0.00 0.00 46.19 44.50 3hsq s LEU 15 CO 0.05 0.15 1.04 1.57 0.23 0.00 0.00 176.35 179.39 3hsq n HIS 16 N 3.60 1.15 0.10 0.29 -0.00 -0.26 -4.86 115.22 115.24 3hsq n HIS 16 Ca -0.19 0.46 0.16 0.00 -0.00 0.00 0.00 57.72 58.14 3hsq n HIS 16 Cb 0.53 -2.20 0.68 0.00 -0.00 0.00 0.00 29.99 29.00 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 0.87 0.00 0.00 1.57 -0.00 -1.96 -1.78 114.58 113.28 3hsq h GLU 17 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.88 3hsq h GLU 17 Cb 1.35 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.10 3hsq h GLU 17 CO 0.53 0.00 0.00 -1.13 -0.00 0.00 0.00 179.01 178.41 3hsq n SER 18 N -4.42 0.54 -4.72 3.06 3.41 -1.26 -4.09 113.62 106.14 3hsq n SER 18 Ca 0.05 0.56 -0.42 0.00 -0.26 0.00 0.00 58.87 58.80 3hsq n SER 18 Cb 0.41 -0.70 -0.03 0.00 -0.26 0.00 0.00 64.21 63.63 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 -3.08 2.16 -0.14 -3.33 1.01 -0.67 -0.80 120.40 115.54 3hsq s VAL 19 Ca 0.11 0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.17 3hsq s VAL 19 Cb 0.14 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 3hsq s VAL 19 CO 0.55 0.01 -0.02 -1.61 0.00 0.00 0.00 175.10 174.03 3hsq s GLU 20 N 1.02 3.51 -0.12 2.72 2.02 -0.77 -3.92 118.70 123.16 3hsq s GLU 20 Ca 0.73 -0.47 0.01 0.00 0.02 0.00 0.00 54.97 55.25 3hsq s GLU 20 Cb -0.48 -2.91 0.02 0.00 0.10 0.00 0.00 34.13 30.86 3hsq s GLU 20 CO 0.33 0.37 -0.12 0.08 0.02 0.00 0.00 175.26 175.95 3hsq s VAL 21 N 0.01 1.32 0.53 2.63 1.01 -1.06 -0.07 120.40 124.77 3hsq s VAL 21 Ca 0.02 -0.50 -0.08 0.00 0.00 0.00 0.00 61.98 61.42 3hsq s VAL 21 Cb -0.13 -1.25 0.12 0.00 0.00 0.00 0.00 36.38 35.12 3hsq s VAL 21 CO 0.02 0.41 0.72 0.61 0.00 0.00 0.00 175.10 176.87 3hsq n GLY 22 N 4.55 -0.97 3.74 4.51 0.00 0.09 -1.39 105.19 115.73 3hsq n GLY 22 Ca -0.17 -1.75 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 3hsq n GLY 22 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hsq s PRO 23 N -4.53 4.19 -1.61 1.61 0.02 -1.26 -3.31 135.00 130.12 3hsq s PRO 23 Ca 0.42 2.44 0.00 0.00 0.02 0.00 0.00 61.00 63.88 3hsq s PRO 23 Cb -0.01 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.43 3hsq s PRO 23 CO 0.29 -0.54 0.00 0.66 -0.33 0.00 0.00 177.00 177.08 3hsq n TYR 24 N 2.43 0.00 -2.88 6.54 4.02 -1.24 -1.66 117.16 124.37 3hsq n TYR 24 Ca 0.08 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.65 3hsq n TYR 24 Cb 0.39 -2.71 -0.06 0.00 -0.02 0.00 0.00 39.34 36.94 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 -2.79 6.83 -0.11 7.72 0.01 -1.21 -3.75 113.70 120.40 3hsq s SER 25 Ca 0.00 1.52 0.02 0.00 1.31 0.00 0.00 55.95 58.80 3hsq s SER 25 Cb 0.00 -2.47 0.01 0.00 0.21 0.00 0.00 66.02 63.77 3hsq s SER 25 CO 0.00 -0.34 -0.16 -0.63 0.41 0.00 0.00 173.24 172.52 3hsq s ILE 26 N -2.17 1.57 -0.12 1.44 1.01 0.67 -0.38 121.20 123.22 3hsq s ILE 26 Ca 0.59 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 60.57 3hsq s ILE 26 Cb -0.10 -1.43 0.01 0.00 0.01 0.00 0.00 42.46 40.96 3hsq s ILE 26 CO 0.17 0.46 -0.16 -0.63 0.00 0.00 0.00 174.94 174.78 3hsq s ILE 27 N 0.98 1.60 0.49 2.92 1.01 0.89 -1.03 121.20 128.06 3hsq s ILE 27 Ca -0.06 -0.69 -0.04 0.00 0.00 0.00 0.00 60.65 59.86 3hsq s ILE 27 Cb -0.15 -1.46 0.10 0.00 0.01 0.00 0.00 42.46 40.97 3hsq s ILE 27 CO -0.02 0.46 0.68 -0.62 0.00 0.00 0.00 174.94 175.44 3hsq n GLU 28 N 4.26 -0.18 -1.97 2.79 1.02 -0.42 -0.72 120.64 125.42 3hsq n GLU 28 Ca -0.19 -1.49 -0.29 0.00 -0.02 0.00 0.00 57.16 55.17 3hsq n GLU 28 Cb 0.51 -0.56 0.13 0.00 -0.02 0.00 0.00 31.44 31.50 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 -4.29 1.68 -1.45 0.62 0.00 -1.26 -4.28 107.32 98.35 3hsq s GLY 29 Ca 0.42 -0.95 -0.08 0.00 0.00 0.00 0.00 44.72 44.11 3hsq s GLY 29 CO 0.28 -0.35 0.93 0.70 0.00 0.00 0.00 173.10 174.67 3hsq n ASN 30 N -3.43 -6.07 -4.05 1.64 5.03 -1.26 -3.83 115.26 103.29 3hsq n ASN 30 Ca 0.11 -0.46 -0.26 0.00 0.87 0.00 0.00 54.58 54.83 3hsq n ASN 30 Cb 0.60 -4.83 -0.17 0.00 -1.02 0.00 0.00 39.78 34.36 3hsq n ASN 30 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3hsq s VAL 31 N -3.25 1.31 -0.08 2.41 1.01 -1.26 -0.68 120.40 119.85 3hsq s VAL 31 Ca 0.49 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.95 3hsq s VAL 31 Cb -0.22 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 3hsq s VAL 31 CO 0.60 0.40 -0.23 -0.94 0.00 0.00 0.00 175.10 174.93 3hsq s SER 32 N 0.74 3.21 -0.12 3.32 1.04 -0.73 -0.10 113.70 121.06 3hsq s SER 32 Ca -0.13 -0.50 -0.01 0.00 0.48 0.00 0.00 55.95 55.80 3hsq s SER 32 Cb -0.16 -1.11 0.03 0.00 0.10 0.00 0.00 66.02 64.89 3hsq s SER 32 CO 0.03 0.21 -0.05 -0.63 0.98 0.00 0.00 173.24 173.78 3hsq s ILE 33 N 0.03 0.89 0.60 -1.02 1.01 0.49 -0.25 121.20 122.95 3hsq s ILE 33 Ca -0.09 -0.31 -0.04 0.00 0.00 0.00 0.00 60.65 60.21 3hsq s ILE 33 Cb -0.15 -1.01 0.13 0.00 0.01 0.00 0.00 42.46 41.44 3hsq s ILE 33 CO 0.06 0.25 0.83 0.00 0.00 0.00 0.00 174.94 176.08 3hsq n GLN 34 N 4.97 -0.25 -1.64 2.79 6.02 -0.28 -1.11 117.38 127.88 3hsq n GLN 34 Ca -0.11 -1.89 -0.46 0.00 -0.01 0.00 0.00 57.00 54.53 3hsq n GLN 34 Cb 0.49 -0.66 -0.03 0.00 1.02 0.00 0.00 30.24 31.06 3hsq n GLN 34 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3hsq n GLU 35 N -2.61 1.78 -0.96 -1.09 2.13 -1.26 -3.36 120.64 115.27 3hsq n GLU 35 Ca 0.12 0.63 0.00 0.00 0.66 0.00 0.00 57.16 58.58 3hsq n GLU 35 Cb 0.44 -2.24 0.00 0.00 0.27 0.00 0.00 31.44 29.91 3hsq n GLU 35 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hsq n GLY 36 N 2.12 0.97 3.73 8.31 0.00 -1.26 -0.55 105.19 118.51 3hsq n GLY 36 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.88 3.46 -0.09 2.61 2.01 -1.21 -4.01 115.64 114.53 3hsq s THR 37 Ca 0.00 1.17 0.03 0.00 0.31 0.00 0.00 61.69 63.20 3hsq s THR 37 Cb 0.00 -3.75 -0.01 0.00 0.01 0.00 0.00 72.50 68.75 3hsq s THR 37 CO 0.00 0.16 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.28 3hsq s ILE 38 N 0.29 2.66 -0.09 1.82 1.01 -0.16 -1.84 121.20 124.89 3hsq s ILE 38 Ca 0.56 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 60.42 3hsq s ILE 38 Cb -0.34 -2.06 0.00 0.00 0.01 0.00 0.00 42.46 40.08 3hsq s ILE 38 CO 0.35 0.55 -0.20 -0.63 0.00 0.00 0.00 174.94 175.02 3hsq s ILE 39 N 0.01 1.79 0.00 2.92 1.01 0.90 -1.03 121.20 126.81 3hsq s ILE 39 Ca -0.06 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.73 3hsq s ILE 39 Cb -0.15 -1.57 0.00 0.00 0.01 0.00 0.00 42.46 40.76 3hsq s ILE 39 CO 0.05 0.50 0.00 -0.62 0.00 0.00 0.00 174.94 174.87 3hsq n GLU 40 N 3.67 3.20 -3.22 2.79 1.02 0.31 -0.73 120.64 127.68 3hsq n GLU 40 Ca -0.20 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.63 3hsq n GLU 40 Cb 0.52 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.90 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 -0.06 2.10 -1.45 0.62 0.00 -1.26 -2.57 107.32 104.69 3hsq s GLY 41 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 44.72 44.43 3hsq s GLY 41 CO 0.00 -0.13 0.00 1.42 0.00 0.00 0.00 173.10 174.39 3hsq n HIS 42 N -0.65 0.00 -2.98 1.90 8.25 -0.66 -2.16 115.22 118.91 3hsq n HIS 42 Ca 0.01 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.12 3hsq n HIS 42 Cb 0.53 -2.58 -0.06 0.00 1.12 0.00 0.00 29.99 29.00 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 -2.41 4.49 -0.12 1.59 1.01 -1.26 -3.47 120.40 120.23 3hsq s VAL 43 Ca 0.00 1.33 0.01 0.00 0.00 0.00 0.00 61.98 63.33 3hsq s VAL 43 Cb 0.00 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 32.65 3hsq s VAL 43 CO 0.00 -0.05 -0.16 -0.75 0.00 0.00 0.00 175.10 174.14 3hsq s LYS 44 N -2.59 2.34 -0.30 2.72 2.20 -0.84 -0.24 119.74 123.03 3hsq s LYS 44 Ca 0.52 -0.60 -0.06 0.00 -0.36 0.00 0.00 55.97 55.48 3hsq s LYS 44 Cb -0.13 -2.02 0.02 0.00 -1.51 0.00 0.00 37.83 34.19 3hsq s LYS 44 CO 0.18 -0.11 0.07 0.42 -0.36 0.00 0.00 175.35 175.55 3hsq s ILE 45 N 1.11 3.72 0.42 5.43 -1.09 -0.20 -1.00 121.20 129.59 3hsq s ILE 45 Ca -0.03 -0.91 -0.09 0.00 -2.23 0.00 0.00 60.65 57.39 3hsq s ILE 45 Cb -0.14 -2.99 -0.05 0.00 -1.58 0.00 0.00 42.46 37.69 3hsq s ILE 45 CO -0.04 0.00 0.76 0.00 -1.23 0.00 0.00 174.94 174.42 3hsq n ALA 47 N -1.54 -1.12 0.00 0.00 0.00 -1.25 -2.26 120.51 114.33 3hsq n ALA 47 Ca 0.02 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3hsq n ALA 47 Cb 0.54 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 18.00 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 2.02 0.10 3.67 0.00 0.00 0.14 -4.84 105.19 106.27 3hsq n GLY 48 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.08 7.04 -0.32 1.61 0.01 -0.96 -2.20 113.70 116.80 3hsq s SER 49 Ca 0.00 1.61 0.03 0.00 1.31 0.00 0.00 55.95 58.90 3hsq s SER 49 Cb 0.00 -2.54 0.09 0.00 0.21 0.00 0.00 66.02 63.78 3hsq s SER 49 CO 0.00 -0.67 0.02 -1.61 0.41 0.00 0.00 173.24 171.39 3hsq s GLU 50 N 3.00 1.69 -0.12 12.44 2.02 -0.10 -1.77 118.70 135.86 3hsq s GLU 50 Ca 0.51 -1.75 -0.00 0.00 0.02 0.00 0.00 54.97 53.75 3hsq s GLU 50 Cb -0.20 -3.15 -0.02 0.00 0.10 0.00 0.00 34.13 30.86 3hsq s GLU 50 CO 0.14 -0.86 -0.11 0.42 0.02 0.00 0.00 175.26 174.87 3hsq s ILE 51 N 0.96 3.25 0.00 -1.63 1.01 0.65 -1.05 121.20 124.39 3hsq s ILE 51 Ca 0.06 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.11 3hsq s ILE 51 Cb -0.19 -2.37 0.00 0.00 0.01 0.00 0.00 42.46 39.91 3hsq s ILE 51 CO -0.07 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.01 3hsq n GLY 52 N 3.30 1.05 3.88 6.18 0.00 -0.18 -1.13 105.19 118.30 3hsq n GLY 52 Ca -0.18 -1.48 -0.36 0.00 0.00 0.00 0.00 46.02 44.00 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 0.67 3.49 -1.45 1.61 1.02 -1.24 -3.24 119.74 120.60 3hsq s LYS 53 Ca 0.00 -0.12 -0.09 0.00 0.02 0.00 0.00 55.97 55.78 3hsq s LYS 53 Cb 0.00 -3.16 0.05 0.00 -0.52 0.00 0.00 37.83 34.20 3hsq s LYS 53 CO 0.00 0.74 0.70 1.19 -0.92 0.00 0.00 175.35 177.06 3hsq n PHE 54 N 1.66 -2.07 -2.63 3.18 3.01 0.29 -0.65 117.46 120.25 3hsq n PHE 54 Ca -0.17 0.63 -0.30 0.00 1.01 0.00 0.00 57.45 58.62 3hsq n PHE 54 Cb 0.54 -3.92 -0.02 0.00 -0.01 0.00 0.00 39.48 36.07 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 -2.89 6.47 -0.06 4.37 0.01 -1.26 -3.29 114.94 118.30 3hsq s ASN 55 Ca 0.44 1.22 0.03 0.00 -0.71 0.00 0.00 52.86 53.84 3hsq s ASN 55 Cb -0.21 -2.36 0.01 0.00 0.41 0.00 0.00 41.25 39.09 3hsq s ASN 55 CO 0.54 -0.51 -0.14 -0.60 -1.51 0.00 0.00 177.10 174.88 3hsq s ARG 56 N -4.16 1.75 -0.29 -0.60 3.52 0.31 -0.98 118.95 118.50 3hsq s ARG 56 Ca 0.53 -0.49 0.03 0.00 -0.13 0.00 0.00 55.73 55.66 3hsq s ARG 56 Cb -0.10 -1.46 0.07 0.00 -1.56 0.00 0.00 34.95 31.90 3hsq s ARG 56 CO 0.36 0.11 -0.05 -0.06 -0.81 0.00 0.00 175.30 174.85 3hsq s PHE 57 N 0.41 3.43 0.84 5.12 0.40 -0.19 -1.00 117.98 126.99 3hsq s PHE 57 Ca -0.11 -2.56 -0.12 0.00 -0.60 0.00 0.00 56.93 53.54 3hsq s PHE 57 Cb -0.14 -2.28 0.10 0.00 0.51 0.00 0.00 43.02 41.21 3hsq s PHE 57 CO 0.03 -0.90 1.15 -1.01 0.70 0.00 0.00 175.22 175.19 3hsq s HIS 58 N 1.03 2.79 0.02 0.36 3.76 -1.26 -0.53 115.29 121.47 3hsq s HIS 58 Ca -0.02 0.84 -0.38 0.00 -0.15 0.00 0.00 55.06 55.36 3hsq s HIS 58 Cb -0.20 -3.40 -0.17 0.00 1.11 0.00 0.00 32.58 29.93 3hsq s HIS 58 CO -0.06 -1.98 1.34 0.94 -0.85 0.00 0.00 174.74 174.13 3hsq n GLN 59 N -3.49 0.94 -1.00 1.40 7.27 -1.26 -2.33 117.38 118.91 3hsq n GLN 59 Ca 0.07 0.34 0.00 0.00 0.07 0.00 0.00 57.00 57.48 3hsq n GLN 59 Cb 0.60 -1.96 0.00 0.00 2.41 0.00 0.00 30.24 31.28 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 2.55 0.98 3.77 1.69 0.00 -0.92 -2.08 105.19 111.17 3hsq n GLY 60 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3hsq n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hsq s ALA 61 N -3.90 3.50 -0.09 4.61 0.00 -0.99 -3.87 121.76 121.02 3hsq s ALA 61 Ca 0.00 1.25 0.03 0.00 0.00 0.00 0.00 51.96 53.24 3hsq s ALA 61 Cb 0.00 -3.48 0.01 0.00 0.00 0.00 0.00 23.12 19.65 3hsq s ALA 61 CO 0.00 -0.63 -0.19 0.14 0.00 0.00 0.00 175.76 175.08 3hsq s VAL 62 N -1.03 1.68 -0.08 0.00 -7.23 -0.27 -1.98 120.40 111.49 3hsq s VAL 62 Ca 0.50 -0.79 0.03 0.00 -1.81 0.00 0.00 61.98 59.91 3hsq s VAL 62 Cb -0.40 -1.49 0.00 0.00 0.56 0.00 0.00 36.38 35.06 3hsq s VAL 62 CO 0.52 0.48 -0.18 -0.63 -0.31 0.00 0.00 175.10 174.97 3hsq s ILE 63 N 0.58 1.59 -0.76 -0.62 -1.09 -0.17 -0.90 121.20 119.82 3hsq s ILE 63 Ca -0.15 -0.76 0.00 0.00 -2.23 0.00 0.00 60.65 57.52 3hsq s ILE 63 Cb -0.17 -1.39 0.00 0.00 -1.58 0.00 0.00 42.46 39.32 3hsq s ILE 63 CO 0.05 0.45 0.00 0.61 -1.23 0.00 0.00 174.94 174.82 3hsq n GLY 64 N 3.56 0.68 3.74 6.18 0.00 0.17 -1.23 105.19 118.29 3hsq n GLY 64 Ca -0.20 -0.66 -0.31 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.32 2.98 0.38 1.61 -7.23 -1.05 -4.20 120.40 110.57 3hsq s VAL 65 Ca 0.00 0.32 -0.26 0.00 -1.81 0.00 0.00 61.98 60.22 3hsq s VAL 65 Cb 0.00 -2.71 -0.11 0.00 0.56 0.00 0.00 36.38 34.12 3hsq s VAL 65 CO 0.00 -0.41 1.17 0.23 -0.31 0.00 0.00 175.10 175.78 3hsq n MET 66 N -3.73 1.76 -1.67 4.82 2.81 -1.26 -1.46 117.12 118.38 3hsq n MET 66 Ca 0.09 0.62 -0.38 0.00 -1.81 0.00 0.00 57.70 56.23 3hsq n MET 66 Cb 0.53 -2.21 0.05 0.00 -0.71 0.00 0.00 33.22 30.89 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 0.31 1.16 -1.02 0.03 -0.02 -1.26 -4.73 135.00 129.46 3hsq n PRO 67 Ca 0.07 0.44 -0.21 0.00 -2.02 0.00 0.00 63.50 61.79 3hsq n PRO 67 Cb 0.37 -2.35 0.14 0.00 -0.02 0.00 0.00 33.50 31.64 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 -1.19 2.06 -3.11 -0.52 6.02 -1.26 -4.81 117.38 114.56 3hsq n GLN 68 Ca 0.13 -2.47 -0.41 0.00 -0.01 0.00 0.00 57.00 54.25 3hsq n GLN 68 Cb 0.46 -1.97 -0.06 0.00 1.02 0.00 0.00 30.24 29.69 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 -0.89 6.58 0.13 1.08 3.68 -1.26 -4.97 116.67 121.02 3hsq s ASP 69 Ca 0.47 0.71 0.24 0.00 2.13 0.00 0.00 52.55 56.10 3hsq s ASP 69 Cb 0.39 -2.34 0.92 0.00 -1.45 0.00 0.00 42.92 40.45 3hsq s ASP 69 CO 0.08 -0.36 1.73 0.18 0.13 0.00 0.00 175.17 176.93 3hsq n LEU 70 N 5.66 0.42 -1.79 -1.34 4.32 -1.26 -2.76 117.00 120.26 3hsq n LEU 70 Ca -0.01 0.57 0.05 0.00 -0.02 0.00 0.00 56.01 56.60 3hsq n LEU 70 Cb 0.49 -0.47 0.37 0.00 -1.62 0.00 0.00 43.42 42.19 3hsq n LEU 70 CO 0.43 -0.25 0.88 0.61 -1.22 0.00 0.00 177.39 177.84 3hsq n GLY 71 N 0.75 3.27 3.74 -0.72 0.00 -1.26 -4.98 105.19 106.00 3hsq n GLY 71 Ca 0.05 -0.96 -0.39 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.83 3.68 -0.73 1.61 5.36 -1.11 -5.02 117.98 118.94 3hsq s PHE 72 Ca 0.53 1.32 -0.27 0.00 -0.96 0.00 0.00 56.93 57.56 3hsq s PHE 72 Cb 0.41 -2.75 0.02 0.00 -0.34 0.00 0.00 43.02 40.37 3hsq s PHE 72 CO 0.14 0.25 1.43 1.21 -1.46 0.00 0.00 175.22 176.79 3hsq s ASN 73 N 0.13 5.96 0.00 6.13 3.84 -1.26 -4.88 114.94 124.86 3hsq s ASN 73 Ca 0.36 -0.33 0.08 0.00 0.21 0.00 0.00 52.86 53.18 3hsq s ASN 73 Cb -0.19 -2.55 0.37 0.00 -0.55 0.00 0.00 41.25 38.33 3hsq s ASN 73 CO 0.20 -1.96 1.19 0.00 -2.79 0.00 0.00 177.10 173.74 3hsq n GLN 74 N 9.30 0.06 0.12 0.43 6.02 -1.26 -2.20 117.38 129.85 3hsq n GLN 74 Ca 0.09 0.29 0.12 0.00 -0.01 0.00 0.00 57.00 57.49 3hsq n GLN 74 Cb 0.50 -1.50 0.22 0.00 1.02 0.00 0.00 30.24 30.48 3hsq n GLN 74 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 3hsq h GLN 75 N 0.00 0.00 -6.88 -1.09 1.08 -2.03 -3.47 115.11 102.72 3hsq h GLN 75 Ca 0.00 0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 56.69 3hsq h GLN 75 Cb 0.11 0.00 0.04 0.00 -0.05 0.00 0.00 27.48 27.57 3hsq h GLN 75 CO 0.00 0.00 0.51 -0.51 -0.95 0.00 0.00 178.83 177.88 3hsq s LEU 76 N -4.95 4.37 -0.98 1.46 1.43 -0.94 -4.98 118.68 114.10 3hsq s LEU 76 Ca 0.07 2.37 -0.17 0.00 -1.03 0.00 0.00 54.13 55.37 3hsq s LEU 76 Cb 0.11 -3.81 0.16 0.00 0.03 0.00 0.00 46.19 42.67 3hsq s LEU 76 CO 0.68 -0.44 1.14 -0.22 0.23 0.00 0.00 176.35 177.74 3hsq s LEU 77 N -1.98 5.37 0.39 1.79 0.20 -1.26 -5.02 118.68 118.18 3hsq s LEU 77 Ca 0.51 -2.41 0.04 0.00 0.69 0.00 0.00 54.13 52.96 3hsq s LEU 77 Cb -0.32 -2.36 -0.00 0.00 -0.43 0.00 0.00 46.19 43.07 3hsq s LEU 77 CO 0.42 -0.89 0.56 0.42 -0.29 0.00 0.00 176.35 176.57 3hsq s THR 78 N 1.89 3.89 0.18 3.68 -4.23 -1.26 -4.79 115.64 115.00 3hsq s THR 78 Ca 0.32 -0.82 0.11 0.00 -1.18 0.00 0.00 61.69 60.12 3hsq s THR 78 Cb -0.05 -3.38 -0.04 0.00 1.34 0.00 0.00 72.50 70.37 3hsq s THR 78 CO -0.07 -0.19 -0.23 -0.54 -0.54 0.00 0.00 174.62 173.04 3hsq s LYS 79 N -4.34 1.47 -0.24 3.99 -0.14 -1.26 -4.38 119.74 114.84 3hsq s LYS 79 Ca 0.47 -1.49 0.02 0.00 -1.36 0.00 0.00 55.97 53.61 3hsq s LYS 79 Cb -0.10 -1.77 0.06 0.00 -1.68 0.00 0.00 37.83 34.34 3hsq s LYS 79 CO 0.34 0.38 -0.09 0.99 -0.76 0.00 0.00 175.35 176.21 3hsq s THR 80 N -1.66 1.84 -0.29 2.17 2.01 -0.93 -1.89 115.64 116.87 3hsq s THR 80 Ca 0.19 -1.34 -0.08 0.00 0.31 0.00 0.00 61.69 60.77 3hsq s THR 80 Cb -0.08 -1.98 -0.01 0.00 0.01 0.00 0.00 72.50 70.44 3hsq s THR 80 CO 0.09 0.00 0.11 -0.69 -0.69 0.00 0.00 174.62 173.44 3hsq s VAL 81 N 1.27 4.34 -0.10 3.82 1.01 0.84 -0.92 120.40 130.66 3hsq s VAL 81 Ca -0.06 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 61.51 3hsq s VAL 81 Cb -0.19 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.01 3hsq s VAL 81 CO -0.06 0.13 -0.23 -0.63 0.00 0.00 0.00 175.10 174.31 3hsq s ILE 82 N 1.58 1.96 0.00 2.22 1.01 -0.22 0.20 121.20 127.95 3hsq s ILE 82 Ca 0.04 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.74 3hsq s ILE 82 Cb -0.17 -1.70 0.00 0.00 0.01 0.00 0.00 42.46 40.61 3hsq s ILE 82 CO 0.04 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.13 3hsq n GLY 83 N 3.57 0.81 3.68 6.18 0.00 0.16 -1.01 105.19 118.58 3hsq n GLY 83 Ca -0.19 -1.01 -0.27 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.02 4.88 -1.55 1.61 1.01 -1.22 -2.66 116.67 117.72 3hsq s ASP 84 Ca 0.00 -0.33 -0.04 0.00 0.71 0.00 0.00 52.55 52.89 3hsq s ASP 84 Cb 0.00 -1.08 0.01 0.00 1.01 0.00 0.00 42.92 42.86 3hsq s ASP 84 CO 0.00 0.11 0.41 1.41 0.21 0.00 0.00 175.17 177.31 3hsq n HIS 85 N 0.01 -1.69 -3.54 4.23 8.25 0.18 -0.68 115.22 121.98 3hsq n HIS 85 Ca -0.10 0.36 -0.30 0.00 -0.26 0.00 0.00 57.72 57.42 3hsq n HIS 85 Cb 0.54 -4.09 -0.04 0.00 1.12 0.00 0.00 29.99 27.52 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 -2.50 6.48 -0.10 0.41 0.01 -1.26 -3.30 114.94 114.67 3hsq s ASN 86 Ca 0.22 0.65 0.03 0.00 -0.71 0.00 0.00 52.86 53.04 3hsq s ASN 86 Cb -0.10 -2.11 0.01 0.00 0.41 0.00 0.00 41.25 39.45 3hsq s ASN 86 CO 0.27 -0.06 -0.18 -0.63 -1.51 0.00 0.00 177.10 175.00 3hsq s ILE 87 N -1.84 1.65 -0.22 0.60 1.01 -0.53 -0.53 121.20 121.34 3hsq s ILE 87 Ca 0.42 -0.76 0.08 0.00 0.00 0.00 0.00 60.65 60.40 3hsq s ILE 87 Cb -0.11 -1.47 -0.21 0.00 0.01 0.00 0.00 42.46 40.68 3hsq s ILE 87 CO 0.26 0.47 -0.06 0.49 0.00 0.00 0.00 174.94 176.10 3hsq n PHE 88 N 3.92 0.09 -0.58 3.97 3.01 -0.17 -0.56 117.46 127.14 3hsq n PHE 88 Ca -0.20 0.02 0.02 0.00 1.01 0.00 0.00 57.45 58.30 3hsq n PHE 88 Cb 0.52 -1.01 -0.01 0.00 -0.01 0.00 0.00 39.48 38.97 3hsq n PHE 88 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3hsq n ARG 89 N -3.08 -1.49 -1.67 -1.08 5.12 -1.22 -4.34 116.66 108.89 3hsq n ARG 89 Ca -0.40 1.17 -0.49 0.00 -1.93 0.00 0.00 57.85 56.20 3hsq n ARG 89 Cb 1.06 -1.51 -0.05 0.00 -1.16 0.00 0.00 32.46 30.80 3hsq n ARG 89 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3hsq n GLU 90 N -2.15 1.93 -1.18 5.56 4.71 -1.26 -1.91 120.64 126.34 3hsq n GLU 90 Ca -0.01 0.70 -0.06 0.00 -0.01 0.00 0.00 57.16 57.78 3hsq n GLU 90 Cb 0.20 -2.49 -0.03 0.00 -1.01 0.00 0.00 31.44 28.12 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 5.22 0.00 -1.71 -0.32 4.02 -0.88 -1.14 117.16 122.35 3hsq n TYR 91 Ca 0.21 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.77 3hsq n TYR 91 Cb 0.26 -1.84 0.05 0.00 -0.02 0.00 0.00 39.34 37.79 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 -2.40 4.96 -0.10 7.72 1.04 -0.80 -4.07 113.70 120.06 3hsq s SER 92 Ca 0.00 2.07 -0.04 0.00 0.48 0.00 0.00 55.95 58.46 3hsq s SER 92 Cb 0.00 -2.56 0.05 0.00 0.10 0.00 0.00 66.02 63.61 3hsq s SER 92 CO 0.00 -1.73 0.20 0.54 0.98 0.00 0.00 173.24 173.22 3hsq s ASN 93 N -2.45 0.57 -0.20 7.02 2.20 -0.52 -1.12 114.94 120.44 3hsq s ASN 93 Ca 0.68 0.43 -0.02 0.00 -0.94 0.00 0.00 52.86 53.01 3hsq s ASN 93 Cb -0.22 0.43 -0.00 0.00 -2.00 0.00 0.00 41.25 39.45 3hsq s ASN 93 CO 0.42 -0.24 -0.09 -0.63 -2.94 0.00 0.00 177.10 173.62 3hsq s ILE 94 N 2.29 3.01 0.05 0.54 -1.09 -0.08 -1.44 121.20 124.49 3hsq s ILE 94 Ca 0.02 -0.62 -0.10 0.00 -2.23 0.00 0.00 60.65 57.72 3hsq s ILE 94 Cb -0.12 -2.34 -0.06 0.00 -1.58 0.00 0.00 42.46 38.36 3hsq s ILE 94 CO -0.07 0.46 0.38 -1.00 -1.23 0.00 0.00 174.94 173.48 3hsq s HIS 95 N 1.34 3.60 0.89 3.97 3.76 -0.60 0.45 115.29 128.70 3hsq s HIS 95 Ca 0.04 0.78 -0.13 0.00 -0.15 0.00 0.00 55.06 55.60 3hsq s HIS 95 Cb -0.14 -2.15 0.13 0.00 1.11 0.00 0.00 32.58 31.53 3hsq s HIS 95 CO -0.05 0.55 1.17 -1.59 -0.85 0.00 0.00 174.74 173.98 3hsq s LYS 96 N -1.76 1.33 1.12 1.40 -2.85 -0.54 -4.27 119.74 114.18 3hsq s LYS 96 Ca 0.31 0.13 -0.15 0.00 -1.00 0.00 0.00 55.97 55.25 3hsq s LYS 96 Cb -0.14 -1.88 0.25 0.00 -2.06 0.00 0.00 37.83 34.00 3hsq s LYS 96 CO 0.17 -2.04 1.08 0.20 0.10 0.00 0.00 175.35 174.86 3hsq s GLY 97 N -4.34 1.55 -0.00 0.59 0.00 -1.00 -4.05 107.32 100.08 3hsq s GLY 97 Ca 0.64 -0.55 0.10 0.00 0.00 0.00 0.00 44.72 44.91 3hsq s GLY 97 CO 0.52 0.19 0.41 -1.30 0.00 0.00 0.00 173.10 172.92 3hsq n THR 98 N -4.57 0.00 -4.16 0.90 -2.24 -1.22 -4.70 114.28 98.28 3hsq n THR 98 Ca 0.07 -0.27 -0.16 0.00 -2.27 0.00 0.00 64.05 61.42 3hsq n THR 98 Cb 0.58 1.00 -0.11 0.00 -2.10 0.00 0.00 70.33 69.69 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 -1.92 0.81 0.52 -0.78 1.02 -1.25 -4.78 119.74 113.36 3hsq s LYS 99 Ca 0.04 -1.03 0.23 0.00 0.02 0.00 0.00 55.97 55.22 3hsq s LYS 99 Cb 0.07 -0.65 1.39 0.00 -0.52 0.00 0.00 37.83 38.13 3hsq s LYS 99 CO 0.40 0.12 2.10 0.93 -0.92 0.00 0.00 175.35 177.98 3hsq h GLU 100 N 3.96 0.00 -0.55 1.68 5.08 -1.94 -1.24 114.58 121.58 3hsq h GLU 100 Ca -0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 3hsq h GLU 100 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3hsq h GLU 100 CO 0.46 0.10 0.00 -0.40 -1.00 0.00 0.00 179.01 178.17 3hsq n ASP 101 N -3.99 4.55 -3.52 1.42 5.68 -1.26 -4.71 116.55 114.72 3hsq n ASP 101 Ca -0.02 -2.54 -0.27 0.00 -0.50 0.00 0.00 54.79 51.45 3hsq n ASP 101 Cb 0.18 -0.55 -0.11 0.00 -1.14 0.00 0.00 41.12 39.51 3hsq n ASP 101 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3hsq s SER 102 N -1.07 2.30 0.83 -1.12 0.15 -0.47 -5.13 113.70 109.20 3hsq s SER 102 Ca 0.47 -3.22 -0.12 0.00 0.70 0.00 0.00 55.95 53.78 3hsq s SER 102 Cb 0.32 -0.73 0.09 0.00 -1.71 0.00 0.00 66.02 63.99 3hsq s SER 102 CO 0.20 -0.16 1.15 -2.16 1.20 0.00 0.00 173.24 173.47 3hsq s PRO 103 N -0.27 1.80 -0.11 5.44 0.04 -1.26 -3.43 135.00 137.22 3hsq s PRO 103 Ca 0.30 0.27 -0.23 0.00 0.04 0.00 0.00 61.00 61.39 3hsq s PRO 103 Cb 0.01 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 3hsq s PRO 103 CO -0.18 -1.74 0.70 0.99 0.04 0.00 0.00 177.00 176.81 3hsq s THR 104 N -3.40 5.02 -0.13 1.26 2.01 -0.79 -4.43 115.64 115.18 3hsq s THR 104 Ca 0.62 1.41 0.02 0.00 0.31 0.00 0.00 61.69 64.05 3hsq s THR 104 Cb -0.13 -4.03 0.01 0.00 0.01 0.00 0.00 72.50 68.37 3hsq s THR 104 CO 0.51 0.20 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.76 3hsq s VAL 105 N 1.18 1.86 -0.09 3.82 1.01 -0.26 -0.11 120.40 127.81 3hsq s VAL 105 Ca 0.36 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.51 3hsq s VAL 105 Cb -0.17 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.56 3hsq s VAL 105 CO 0.16 0.51 -0.16 -0.63 0.00 0.00 0.00 175.10 174.98 3hsq s ILE 106 N 0.93 1.46 0.00 2.22 1.01 0.13 -0.04 121.20 126.90 3hsq s ILE 106 Ca -0.06 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 59.94 3hsq s ILE 106 Cb -0.15 -1.31 0.00 0.00 0.01 0.00 0.00 42.46 41.01 3hsq s ILE 106 CO -0.03 0.43 0.00 0.61 0.00 0.00 0.00 174.94 175.95 3hsq n GLY 107 N 3.86 0.88 3.51 6.18 0.00 -0.90 -0.66 105.19 118.06 3hsq n GLY 107 Ca -0.21 -0.00 -0.30 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 4.08 -1.61 1.61 0.01 -1.22 -2.10 114.94 114.71 3hsq s ASN 108 Ca 0.00 -0.43 -0.02 0.00 -0.71 0.00 0.00 52.86 51.70 3hsq s ASN 108 Cb 0.00 -0.70 0.01 0.00 0.41 0.00 0.00 41.25 40.96 3hsq s ASN 108 CO 0.00 0.21 0.26 0.29 -1.51 0.00 0.00 177.10 176.36 3hsq n LYS 109 N 1.08 -3.09 -3.18 -0.60 5.02 0.15 -0.97 118.16 116.57 3hsq n LYS 109 Ca -0.15 0.91 -0.34 0.00 -2.02 0.00 0.00 58.31 56.71 3hsq n LYS 109 Cb 0.52 -5.65 -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 -2.34 6.86 -0.19 4.39 0.01 -1.26 -3.25 114.94 119.16 3hsq s ASN 110 Ca 0.14 1.27 0.01 0.00 -0.71 0.00 0.00 52.86 53.57 3hsq s ASN 110 Cb -0.06 -2.36 0.02 0.00 0.41 0.00 0.00 41.25 39.26 3hsq s ASN 110 CO 0.17 -0.08 -0.18 -0.47 -1.51 0.00 0.00 177.10 175.03 3hsq s TYR 111 N -1.76 2.84 -0.38 2.20 6.14 -0.04 -1.45 117.35 124.91 3hsq s TYR 111 Ca 0.48 -1.71 -0.04 0.00 0.64 0.00 0.00 57.07 56.44 3hsq s TYR 111 Cb -0.13 -1.93 0.09 0.00 0.42 0.00 0.00 41.96 40.41 3hsq s TYR 111 CO 0.19 -0.81 0.15 -0.06 0.64 0.00 0.00 175.55 175.66 3hsq s PHE 112 N 1.27 3.45 1.10 4.97 0.40 0.27 -1.53 117.98 127.91 3hsq s PHE 112 Ca 0.03 -2.09 -0.15 0.00 -0.60 0.00 0.00 56.93 54.12 3hsq s PHE 112 Cb -0.14 -2.83 0.24 0.00 0.51 0.00 0.00 43.02 40.80 3hsq s PHE 112 CO -0.12 -0.89 1.10 -1.64 0.70 0.00 0.00 175.22 174.36 3hsq s MET 113 N 1.23 -0.39 0.11 0.44 -1.94 -0.34 -3.46 119.30 114.94 3hsq s MET 113 Ca 0.03 0.26 -0.35 0.00 -1.71 0.00 0.00 55.69 53.92 3hsq s MET 113 Cb -0.22 -1.66 -0.15 0.00 2.01 0.00 0.00 34.83 34.81 3hsq s MET 113 CO -0.02 -3.23 1.47 0.41 -0.01 0.00 0.00 175.02 173.64 3hsq n GLY 114 N -0.95 0.80 2.50 -0.03 0.00 -1.26 -1.85 105.19 104.40 3hsq n GLY 114 Ca 0.08 0.69 -0.04 0.00 0.00 0.00 0.00 46.02 46.75 3hsq n GLY 114 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hsq n ASN 115 N 3.06 -4.64 -4.78 1.61 5.15 -0.29 -1.01 115.26 114.37 3hsq n ASN 115 Ca 0.18 0.09 -0.32 0.00 -0.60 0.00 0.00 54.58 53.94 3hsq n ASN 115 Cb 0.24 -2.47 0.06 0.00 -0.53 0.00 0.00 39.78 37.08 3hsq n ASN 115 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3hsq s SER 116 N -2.27 4.95 -0.04 1.20 1.04 -0.77 -4.20 113.70 113.61 3hsq s SER 116 Ca 0.00 1.82 0.01 0.00 0.48 0.00 0.00 55.95 58.26 3hsq s SER 116 Cb 0.00 -2.52 0.02 0.00 0.10 0.00 0.00 66.02 63.62 3hsq s SER 116 CO 0.00 -1.73 -0.02 -2.28 0.98 0.00 0.00 173.24 170.18 3hsq s HIS 117 N -2.76 0.53 -0.23 5.02 5.04 0.55 -1.44 115.29 122.00 3hsq s HIS 117 Ca 0.62 -0.10 -0.01 0.00 -1.54 0.00 0.00 55.06 54.02 3hsq s HIS 117 Cb -0.17 -0.53 0.02 0.00 0.04 0.00 0.00 32.58 31.94 3hsq s HIS 117 CO 0.51 -0.16 -0.09 0.08 -2.34 0.00 0.00 174.74 172.74 3hsq s VAL 118 N 0.93 2.76 0.80 0.89 1.01 -0.52 -0.59 120.40 125.68 3hsq s VAL 118 Ca -0.11 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 60.80 3hsq s VAL 118 Cb -0.14 -2.35 0.07 0.00 0.00 0.00 0.00 36.38 33.96 3hsq s VAL 118 CO -0.01 0.29 1.10 -0.83 0.00 0.00 0.00 175.10 175.65 3hsq s GLY 119 N 1.33 1.62 0.24 4.51 0.00 -0.22 -1.56 107.32 113.25 3hsq s GLY 119 Ca 0.02 -0.21 -0.31 0.00 0.00 0.00 0.00 44.72 44.22 3hsq s GLY 119 CO -0.06 0.22 1.26 -2.39 0.00 0.00 0.00 173.10 172.13 3hsq n HIS 120 N -3.44 1.77 -1.11 1.90 1.44 -1.26 -2.64 115.22 111.89 3hsq n HIS 120 Ca 0.07 0.56 -0.04 0.00 -2.01 0.00 0.00 57.72 56.31 3hsq n HIS 120 Cb 0.56 -2.37 -0.02 0.00 0.12 0.00 0.00 29.99 28.29 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 1.81 -4.44 -4.78 4.39 8.00 -1.26 -1.05 116.55 119.23 3hsq n ASP 121 Ca 0.11 0.09 -0.35 0.00 0.71 0.00 0.00 54.79 55.36 3hsq n ASP 121 Cb 0.30 -2.26 -0.00 0.00 -0.02 0.00 0.00 41.12 39.14 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 -1.79 1.45 0.00 0.00 -1.09 -0.81 -1.11 121.20 117.86 3hsq s ILE 123 Ca 0.72 -0.83 0.07 0.00 -2.23 0.00 0.00 60.65 58.38 3hsq s ILE 123 Cb -0.23 -1.54 -0.03 0.00 -1.58 0.00 0.00 42.46 39.08 3hsq s ILE 123 CO 0.26 0.19 -0.22 -0.76 -1.23 0.00 0.00 174.94 173.19 3hsq s LEU 124 N 1.49 2.36 0.00 2.97 1.02 0.94 -0.84 118.68 126.62 3hsq s LEU 124 Ca 0.00 -0.42 0.00 0.00 0.02 0.00 0.00 54.13 53.73 3hsq s LEU 124 Cb -0.15 -1.42 0.00 0.00 0.02 0.00 0.00 46.19 44.64 3hsq s LEU 124 CO -0.08 0.30 0.00 0.61 0.02 0.00 0.00 176.35 177.19 3hsq n GLY 125 N 2.06 0.75 3.50 -3.19 0.00 -0.95 -2.18 105.19 105.18 3hsq n GLY 125 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.00 3.99 -1.52 1.61 0.01 -1.24 -2.11 114.94 114.68 3hsq s ASN 126 Ca 0.00 -0.51 0.00 0.00 -0.71 0.00 0.00 52.86 51.64 3hsq s ASN 126 Cb 0.00 -0.61 0.00 0.00 0.41 0.00 0.00 41.25 41.05 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 0.86 -5.03 -4.87 -1.22 3.02 -0.15 -1.08 115.26 106.80 3hsq n ASN 127 Ca -0.15 0.06 -0.32 0.00 -0.03 0.00 0.00 54.58 54.14 3hsq n ASN 127 Cb 0.53 -4.11 -0.05 0.00 -0.61 0.00 0.00 39.78 35.54 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 -2.33 6.64 -0.11 6.41 0.01 -1.26 -3.52 114.94 120.78 3hsq s ASN 128 Ca 0.00 1.02 0.02 0.00 -0.71 0.00 0.00 52.86 53.19 3hsq s ASN 128 Cb 0.00 -2.27 0.01 0.00 0.41 0.00 0.00 41.25 39.40 3hsq s ASN 128 CO 0.00 -0.15 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.64 3hsq s ILE 129 N -1.94 1.64 -0.23 0.60 1.01 0.23 -0.86 121.20 121.65 3hsq s ILE 129 Ca 0.49 -0.74 -0.07 0.00 0.00 0.00 0.00 60.65 60.34 3hsq s ILE 129 Cb -0.11 -1.47 -0.03 0.00 0.01 0.00 0.00 42.46 40.86 3hsq s ILE 129 CO 0.22 0.47 0.05 -0.76 0.00 0.00 0.00 174.94 174.92 3hsq s LEU 130 N 0.83 3.42 0.00 2.97 1.02 -0.58 0.11 118.68 126.45 3hsq s LEU 130 Ca -0.09 -0.18 -0.02 0.00 0.02 0.00 0.00 54.13 53.86 3hsq s LEU 130 Cb -0.16 -1.90 0.03 0.00 0.02 0.00 0.00 46.19 44.18 3hsq s LEU 130 CO 0.00 0.01 0.16 0.35 0.02 0.00 0.00 176.35 176.89 3hsq n THR 131 N 4.63 0.00 -1.86 5.49 -2.24 -0.46 -1.20 114.28 118.65 3hsq n THR 131 Ca -0.16 -0.12 -0.42 0.00 -2.27 0.00 0.00 64.05 61.08 3hsq n THR 131 Cb 0.52 -1.92 -0.03 0.00 -2.10 0.00 0.00 70.33 66.79 3hsq n THR 131 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3hsq s HIS 132 N -1.31 2.19 -0.80 4.78 2.46 -1.26 -1.93 115.29 119.42 3hsq s HIS 132 Ca 0.09 0.14 0.00 0.00 0.47 0.00 0.00 55.06 55.76 3hsq s HIS 132 Cb -0.00 -4.04 0.00 0.00 -0.13 0.00 0.00 32.58 28.41 3hsq s HIS 132 CO 0.06 -4.29 0.00 0.41 -2.47 0.00 0.00 174.74 168.46 3hsq n GLY 133 N 4.12 0.90 3.77 1.59 0.00 -0.18 -4.30 105.19 111.09 3hsq n GLY 133 Ca 0.17 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.07 3.43 -0.15 4.61 0.00 -0.81 -4.52 121.76 122.25 3hsq s ALA 134 Ca 0.00 1.26 0.01 0.00 0.00 0.00 0.00 51.96 53.23 3hsq s ALA 134 Cb 0.00 -3.48 0.02 0.00 0.00 0.00 0.00 23.12 19.65 3hsq s ALA 134 CO 0.00 -0.70 -0.17 0.08 0.00 0.00 0.00 175.76 174.97 3hsq s VAL 135 N -1.18 1.75 -0.27 0.00 1.01 -1.26 -0.33 120.40 120.12 3hsq s VAL 135 Ca 0.51 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.64 3hsq s VAL 135 Cb -0.39 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 3hsq s VAL 135 CO 0.52 0.49 0.12 -0.76 0.00 0.00 0.00 175.10 175.47 3hsq s LEU 136 N 1.25 3.71 1.10 3.92 1.43 0.24 -4.53 118.68 125.81 3hsq s LEU 136 Ca 0.01 -0.15 -0.12 0.00 -1.03 0.00 0.00 54.13 52.84 3hsq s LEU 136 Cb -0.14 -2.01 0.24 0.00 0.03 0.00 0.00 46.19 44.32 3hsq s LEU 136 CO -0.08 -0.05 1.03 0.00 0.23 0.00 0.00 176.35 177.48 3hsq n ALA 137 N 4.98 -2.32 -1.12 4.21 0.00 -1.26 -1.05 120.51 123.96 3hsq n ALA 137 Ca -0.15 -1.00 -0.33 0.00 0.00 0.00 0.00 53.44 51.96 3hsq n ALA 137 Cb 0.51 -2.05 0.12 0.00 0.00 0.00 0.00 19.45 18.03 3hsq n ALA 137 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hsq s GLY 138 N -2.46 2.04 -1.46 0.00 0.00 -1.26 -3.54 107.32 100.64 3hsq s GLY 138 Ca 0.68 0.71 -0.02 0.00 0.00 0.00 0.00 44.72 46.08 3hsq s GLY 138 CO 0.63 1.11 0.22 1.42 0.00 0.00 0.00 173.10 176.48 3hsq n HIS 139 N -3.34 -1.47 -3.71 1.90 8.25 -0.21 -3.96 115.22 112.66 3hsq n HIS 139 Ca 0.12 0.20 -0.36 0.00 -0.26 0.00 0.00 57.72 57.42 3hsq n HIS 139 Cb 0.51 -3.64 -0.07 0.00 1.12 0.00 0.00 29.99 27.91 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 -2.94 5.37 -0.20 1.59 1.01 -1.23 -0.50 120.40 123.49 3hsq s VAL 140 Ca 0.13 0.36 -0.02 0.00 0.00 0.00 0.00 61.98 62.45 3hsq s VAL 140 Cb -0.06 -3.51 -0.00 0.00 0.00 0.00 0.00 36.38 32.80 3hsq s VAL 140 CO 0.16 0.51 -0.09 -0.89 0.00 0.00 0.00 175.10 174.80 3hsq s THR 141 N -0.33 3.00 -0.04 3.92 2.01 -0.63 -1.92 115.64 121.65 3hsq s THR 141 Ca 0.15 -0.62 -0.01 0.00 0.31 0.00 0.00 61.69 61.51 3hsq s THR 141 Cb -0.13 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 3hsq s THR 141 CO 0.04 0.46 0.04 -0.76 -0.69 0.00 0.00 174.62 173.71 3hsq s LEU 142 N 1.36 3.75 0.00 4.42 1.02 -0.02 0.33 118.68 129.54 3hsq s LEU 142 Ca 0.05 0.14 0.00 0.00 0.02 0.00 0.00 54.13 54.33 3hsq s LEU 142 Cb -0.14 -2.05 0.00 0.00 0.02 0.00 0.00 46.19 44.02 3hsq s LEU 142 CO -0.05 0.32 0.00 0.61 0.02 0.00 0.00 176.35 177.25 3hsq n GLY 143 N 1.60 0.81 3.58 -3.19 0.00 -0.22 -2.54 105.19 105.24 3hsq n GLY 143 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.00 4.48 -1.65 1.61 0.01 -1.26 -2.24 114.94 114.90 3hsq s ASN 144 Ca 0.00 -0.28 -0.01 0.00 -0.71 0.00 0.00 52.86 51.87 3hsq s ASN 144 Cb 0.00 -0.94 0.00 0.00 0.41 0.00 0.00 41.25 40.72 3hsq s ASN 144 CO 0.00 0.23 0.08 0.49 -1.51 0.00 0.00 177.10 176.38 3hsq n PHE 145 N 1.11 -1.19 -2.70 2.20 3.72 -0.24 -0.24 117.46 120.12 3hsq n PHE 145 Ca -0.14 0.07 -0.32 0.00 -0.05 0.00 0.00 57.45 57.00 3hsq n PHE 145 Cb 0.52 -3.84 -0.05 0.00 -0.94 0.00 0.00 39.48 35.17 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 -2.99 3.13 -0.15 4.37 0.00 -1.26 -3.42 121.76 121.44 3hsq s ALA 146 Ca 0.04 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.18 3hsq s ALA 146 Cb -0.02 -3.02 0.03 0.00 0.00 0.00 0.00 23.12 20.11 3hsq s ALA 146 CO 0.05 -0.01 -0.10 0.12 0.00 0.00 0.00 175.76 175.83 3hsq s PHE 147 N -2.36 1.93 -0.32 0.00 5.36 -0.22 -0.60 117.98 121.77 3hsq s PHE 147 Ca 0.58 -1.13 -0.00 0.00 -0.96 0.00 0.00 56.93 55.42 3hsq s PHE 147 Cb -0.10 -1.45 0.07 0.00 -0.34 0.00 0.00 43.02 41.21 3hsq s PHE 147 CO 0.23 -0.63 0.02 0.42 -1.46 0.00 0.00 175.22 173.80 3hsq s ILE 148 N 1.56 2.78 0.85 3.12 -1.09 0.12 -1.18 121.20 127.36 3hsq s ILE 148 Ca 0.03 -1.68 -0.11 0.00 -2.23 0.00 0.00 60.65 56.66 3hsq s ILE 148 Cb -0.14 -2.72 0.10 0.00 -1.58 0.00 0.00 42.46 38.13 3hsq s ILE 148 CO -0.09 -0.26 1.11 -0.44 -1.23 0.00 0.00 174.94 174.03 3hsq s SER 149 N 1.27 3.70 0.83 3.58 0.01 -0.79 -1.35 113.70 120.96 3hsq s SER 149 Ca -0.02 1.91 -0.11 0.00 1.31 0.00 0.00 55.95 59.04 3hsq s SER 149 Cb -0.20 -2.49 0.09 0.00 0.21 0.00 0.00 66.02 63.63 3hsq s SER 149 CO -0.03 -2.56 1.09 -0.83 0.41 0.00 0.00 173.24 171.32 3hsq s GLY 150 N -3.11 1.65 -1.03 3.44 0.00 -1.26 -4.01 107.32 103.01 3hsq s GLY 150 Ca 0.64 0.18 -0.01 0.00 0.00 0.00 0.00 44.72 45.53 3hsq s GLY 150 CO 0.57 0.59 0.11 1.04 0.00 0.00 0.00 173.10 175.41 3hsq n LEU 151 N -3.74 -1.77 -4.25 0.66 4.77 -1.26 -3.93 117.00 107.49 3hsq n LEU 151 Ca 0.08 -0.06 -0.32 0.00 -0.03 0.00 0.00 56.01 55.69 3hsq n LEU 151 Cb 0.54 -1.97 -0.17 0.00 -2.33 0.00 0.00 43.42 39.49 3hsq n LEU 151 CO 0.54 -0.05 -0.56 -0.69 -1.33 0.00 0.00 177.39 175.30 3hsq s VAL 152 N -2.71 2.05 -0.19 4.08 1.01 -1.26 -1.16 120.40 122.22 3hsq s VAL 152 Ca 0.06 -1.04 -0.04 0.00 0.00 0.00 0.00 61.98 60.95 3hsq s VAL 152 Cb -0.02 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 3hsq s VAL 152 CO 0.07 0.56 -0.02 0.00 0.00 0.00 0.00 175.10 175.71 3hsq s ALA 153 N 0.06 2.96 -0.21 5.51 0.00 -0.76 -4.43 121.76 124.89 3hsq s ALA 153 Ca -0.10 -0.99 -0.03 0.00 0.00 0.00 0.00 51.96 50.83 3hsq s ALA 153 Cb -0.16 -1.69 -0.00 0.00 0.00 0.00 0.00 23.12 21.27 3hsq s ALA 153 CO 0.06 -0.12 -0.07 0.08 0.00 0.00 0.00 175.76 175.71 3hsq s VAL 154 N 0.95 3.18 0.45 0.00 1.01 -1.26 0.06 120.40 124.79 3hsq s VAL 154 Ca 0.01 -0.56 -0.24 0.00 0.00 0.00 0.00 61.98 61.19 3hsq s VAL 154 Cb -0.14 -2.44 -0.09 0.00 0.00 0.00 0.00 36.38 33.71 3hsq s VAL 154 CO 0.01 0.44 1.25 1.57 0.00 0.00 0.00 175.10 178.38 3hsq n HIS 155 N 4.76 2.04 -1.68 5.22 -0.00 0.66 -4.17 115.22 122.04 3hsq n HIS 155 Ca -0.19 0.49 -0.41 0.00 0.46 0.00 0.00 57.72 58.07 3hsq n HIS 155 Cb 0.51 -2.35 0.02 0.00 -0.12 0.00 0.00 29.99 28.04 3hsq n HIS 155 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 3hsq n GLN 156 N -0.18 1.73 -1.05 1.57 6.02 -1.26 -2.82 117.38 121.39 3hsq n GLN 156 Ca 0.08 0.62 -0.02 0.00 -0.01 0.00 0.00 57.00 57.67 3hsq n GLN 156 Cb 0.41 -2.32 -0.01 0.00 1.02 0.00 0.00 30.24 29.34 3hsq n GLN 156 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3hsq n PHE 157 N -0.45 0.00 -2.66 1.08 3.72 0.34 -4.98 117.46 114.52 3hsq n PHE 157 Ca 0.08 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.16 3hsq n PHE 157 Cb 0.41 -0.90 -0.05 0.00 -0.94 0.00 0.00 39.48 38.00 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 -2.39 2.68 -0.21 0.00 0.40 -1.26 -1.60 117.98 115.59 3hsq s PHE 159 Ca 0.58 -0.17 0.02 0.00 -0.60 0.00 0.00 56.93 56.76 3hsq s PHE 159 Cb -0.10 -1.61 0.04 0.00 0.51 0.00 0.00 43.02 41.86 3hsq s PHE 159 CO 0.24 0.19 -0.16 0.08 0.70 0.00 0.00 175.22 176.27 3hsq s VAL 160 N -0.75 2.08 1.01 -0.44 1.01 0.15 -0.34 120.40 123.12 3hsq s VAL 160 Ca 0.12 -1.21 -0.13 0.00 0.00 0.00 0.00 61.98 60.76 3hsq s VAL 160 Cb -0.11 -2.01 0.19 0.00 0.00 0.00 0.00 36.38 34.46 3hsq s VAL 160 CO 0.01 0.31 1.10 -0.83 0.00 0.00 0.00 175.10 175.69 3hsq s GLY 161 N 1.22 1.56 0.40 4.51 0.00 0.65 -1.05 107.32 114.61 3hsq s GLY 161 Ca -0.01 -0.44 -0.26 0.00 0.00 0.00 0.00 44.72 44.01 3hsq s GLY 161 CO -0.10 0.19 1.34 1.22 0.00 0.00 0.00 173.10 175.75 3hsq n ASP 162 N -4.19 2.93 -2.34 1.64 8.00 -1.26 -2.87 116.55 118.45 3hsq n ASP 162 Ca 0.06 1.15 -0.15 0.00 0.71 0.00 0.00 54.79 56.56 3hsq n ASP 162 Cb 0.58 -1.53 -0.01 0.00 -0.02 0.00 0.00 41.12 40.13 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 0.03 -1.19 -3.76 1.24 4.02 0.66 -0.75 117.16 117.41 3hsq n TYR 163 Ca 0.05 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.71 3hsq n TYR 163 Cb 0.39 -3.12 -0.02 0.00 -0.02 0.00 0.00 39.34 36.57 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 -2.06 6.32 -0.01 7.72 1.04 -1.14 -3.78 113.70 121.79 3hsq s SER 164 Ca 0.00 0.22 0.03 0.00 0.48 0.00 0.00 55.95 56.68 3hsq s SER 164 Cb 0.00 -1.93 -0.01 0.00 0.10 0.00 0.00 66.02 64.19 3hsq s SER 164 CO 0.00 -0.14 -0.10 -0.32 0.98 0.00 0.00 173.24 173.66 3hsq s MET 165 N -4.02 0.88 -0.23 4.02 0.00 -0.01 -1.05 119.30 118.88 3hsq s MET 165 Ca 0.36 -0.36 -0.01 0.00 0.00 0.00 0.00 55.69 55.68 3hsq s MET 165 Cb -0.09 -0.84 0.02 0.00 0.00 0.00 0.00 34.83 33.92 3hsq s MET 165 CO 0.31 0.20 -0.09 0.08 0.00 0.00 0.00 175.02 175.53 3hsq s VAL 166 N -0.16 2.72 0.72 10.11 1.01 -0.32 -0.71 120.40 133.77 3hsq s VAL 166 Ca 0.03 -1.00 -0.11 0.00 0.00 0.00 0.00 61.98 60.89 3hsq s VAL 166 Cb -0.05 -2.34 0.02 0.00 0.00 0.00 0.00 36.38 34.01 3hsq s VAL 166 CO -0.00 0.27 1.07 0.00 0.00 0.00 0.00 175.10 176.44 3hsq s ALA 167 N 1.32 2.61 0.55 5.51 0.00 -0.73 -1.89 121.76 129.13 3hsq s ALA 167 Ca 0.01 -0.08 -0.21 0.00 0.00 0.00 0.00 51.96 51.68 3hsq s ALA 167 Cb -0.16 -3.13 -0.05 0.00 0.00 0.00 0.00 23.12 19.79 3hsq s ALA 167 CO -0.06 -1.32 1.36 0.20 0.00 0.00 0.00 175.76 175.94 3hsq s GLY 168 N -3.93 2.89 -0.95 0.00 0.00 -1.26 -3.48 107.32 100.58 3hsq s GLY 168 Ca 0.59 1.33 -0.06 0.00 0.00 0.00 0.00 44.72 46.58 3hsq s GLY 168 CO 0.54 1.85 0.81 1.04 0.00 0.00 0.00 173.10 177.34 3hsq n LEU 169 N -1.09 -2.95 -4.55 0.66 4.77 -0.31 -4.76 117.00 108.77 3hsq n LEU 169 Ca 0.11 -0.37 -0.31 0.00 -0.03 0.00 0.00 56.01 55.41 3hsq n LEU 169 Cb 0.45 -2.26 -0.11 0.00 -2.33 0.00 0.00 43.42 39.17 3hsq n LEU 169 CO 0.52 0.45 -0.43 0.00 -1.33 0.00 0.00 177.39 176.60 3hsq s ALA 170 N -3.21 2.87 -0.26 -1.18 0.00 -1.19 -4.32 121.76 114.48 3hsq s ALA 170 Ca 0.40 -1.13 -0.02 0.00 0.00 0.00 0.00 51.96 51.21 3hsq s ALA 170 Cb -0.18 -0.95 0.03 0.00 0.00 0.00 0.00 23.12 22.02 3hsq s ALA 170 CO 0.50 0.61 -0.04 0.21 0.00 0.00 0.00 175.76 177.04 3hsq s LYS 171 N -1.63 2.84 -0.27 0.00 2.20 -1.03 -1.83 119.74 120.04 3hsq s LYS 171 Ca 0.17 -0.98 -0.13 0.00 -0.36 0.00 0.00 55.97 54.67 3hsq s LYS 171 Cb -0.11 -3.06 -0.04 0.00 -1.51 0.00 0.00 37.83 33.11 3hsq s LYS 171 CO 0.08 -0.42 0.31 0.08 -0.36 0.00 0.00 175.35 175.04 3hsq s VAL 172 N 1.35 5.23 -0.02 4.02 1.01 0.11 -3.35 120.40 128.74 3hsq s VAL 172 Ca 0.00 0.43 0.08 0.00 0.00 0.00 0.00 61.98 62.49 3hsq s VAL 172 Cb -0.17 -3.64 -0.12 0.00 0.00 0.00 0.00 36.38 32.45 3hsq s VAL 172 CO -0.03 0.20 0.18 1.33 0.00 0.00 0.00 175.10 176.78 3hsq n VAL 173 N 5.02 0.00 -4.41 2.92 0.24 -1.26 -0.25 118.33 120.59 3hsq n VAL 173 Ca -0.11 -0.19 -0.21 0.00 -2.04 0.00 0.00 64.34 61.80 3hsq n VAL 173 Cb 0.51 0.34 -0.09 0.00 -1.47 0.00 0.00 33.84 33.13 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 -2.52 1.70 0.55 7.34 -0.21 -1.26 -4.84 119.66 120.41 3hsq s GLN 174 Ca -0.03 -1.99 -0.21 0.00 0.02 0.00 0.00 55.36 53.15 3hsq s GLN 174 Cb 0.05 -0.38 -0.05 0.00 1.00 0.00 0.00 33.01 33.63 3hsq s GLN 174 CO 0.33 -0.41 1.27 -0.51 -2.12 0.00 0.00 175.29 173.85 3hsq s ASP 175 N -3.46 5.40 -0.40 5.90 1.01 -0.31 -4.50 116.67 120.31 3hsq s ASP 175 Ca 0.32 2.56 -0.15 0.00 0.71 0.00 0.00 52.55 55.99 3hsq s ASP 175 Cb 0.05 -2.62 0.01 0.00 1.01 0.00 0.00 42.92 41.37 3hsq s ASP 175 CO 0.16 -1.46 0.34 -0.69 0.21 0.00 0.00 175.17 173.73 3hsq s VAL 176 N -1.43 5.21 0.61 -1.27 1.01 0.54 -1.41 120.40 123.65 3hsq s VAL 176 Ca 0.72 -0.44 -0.18 0.00 0.00 0.00 0.00 61.98 62.08 3hsq s VAL 176 Cb -0.35 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 3hsq s VAL 176 CO 0.41 -0.28 1.17 -2.16 0.00 0.00 0.00 175.10 174.23 3hsq s PRO 177 N 1.85 2.91 0.74 2.72 0.04 -1.26 -0.25 135.00 141.75 3hsq s PRO 177 Ca 0.08 1.67 -0.15 0.00 0.04 0.00 0.00 61.00 62.64 3hsq s PRO 177 Cb -0.18 -1.94 0.05 0.00 0.04 0.00 0.00 34.50 32.47 3hsq s PRO 177 CO 0.11 -1.22 1.22 -1.25 0.04 0.00 0.00 177.00 175.91 3hsq s PRO 178 N -3.56 2.02 -0.35 0.56 0.04 -1.26 -3.27 135.00 129.18 3hsq s PRO 178 Ca 0.74 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.60 3hsq s PRO 178 Cb -0.27 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.46 3hsq s PRO 178 CO 0.35 -1.94 0.00 0.66 0.04 0.00 0.00 177.00 176.11 3hsq n TYR 179 N -2.79 0.00 -4.20 0.56 4.01 0.07 -4.92 117.16 109.88 3hsq n TYR 179 Ca 0.14 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.65 3hsq n TYR 179 Cb 0.50 -1.68 -0.07 0.00 -0.31 0.00 0.00 39.34 37.78 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 -2.19 4.63 -0.12 7.72 0.01 -1.20 0.61 113.70 123.16 3hsq s SER 180 Ca 0.00 -0.71 0.02 0.00 1.31 0.00 0.00 55.95 56.57 3hsq s SER 180 Cb 0.00 -0.80 -0.01 0.00 0.21 0.00 0.00 66.02 65.42 3hsq s SER 180 CO 0.00 -0.15 -0.18 -0.89 0.41 0.00 0.00 173.24 172.43 3hsq s THR 181 N -2.37 2.61 -0.02 1.44 2.01 0.21 -0.83 115.64 118.69 3hsq s THR 181 Ca 0.34 -0.82 0.03 0.00 0.31 0.00 0.00 61.69 61.56 3hsq s THR 181 Cb -0.04 -2.06 -0.03 0.00 0.01 0.00 0.00 72.50 70.38 3hsq s THR 181 CO 0.21 0.54 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.89 3hsq s VAL 182 N 0.34 3.38 0.08 3.82 1.01 0.12 -1.05 120.40 128.10 3hsq s VAL 182 Ca -0.14 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 60.98 3hsq s VAL 182 Cb -0.17 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.81 3hsq s VAL 182 CO 0.07 0.49 0.23 -0.62 0.00 0.00 0.00 175.10 175.27 3hsq s ASP 183 N -1.09 0.03 0.00 3.32 -1.08 -0.59 -1.77 116.67 115.49 3hsq s ASP 183 Ca 0.14 -0.51 0.00 0.00 -0.52 0.00 0.00 52.55 51.66 3hsq s ASP 183 Cb -0.11 0.35 0.00 0.00 -1.46 0.00 0.00 42.92 41.70 3hsq s ASP 183 CO 0.04 -0.71 0.00 0.61 0.52 0.00 0.00 175.17 175.63 3hsq n GLY 184 N 0.10 1.50 2.62 2.66 0.00 -1.26 -1.02 105.19 109.79 3hsq n GLY 184 Ca -0.16 -1.94 -0.25 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.21 2.36 0.45 1.61 2.47 -1.26 -2.32 114.94 118.04 3hsq s ASN 185 Ca 0.00 -0.64 -0.25 0.00 0.42 0.00 0.00 52.86 52.38 3hsq s ASN 185 Cb 0.00 -0.18 -0.08 0.00 -1.45 0.00 0.00 41.25 39.54 3hsq s ASN 185 CO 0.00 -0.36 1.43 -2.16 -3.72 0.00 0.00 177.10 172.29 3hsq s PRO 186 N 2.16 3.67 0.60 0.43 0.04 -1.26 -5.02 135.00 135.61 3hsq s PRO 186 Ca 0.03 2.42 -0.11 0.00 0.04 0.00 0.00 61.00 63.38 3hsq s PRO 186 Cb -0.16 -2.64 -0.04 0.00 0.04 0.00 0.00 34.50 31.69 3hsq s PRO 186 CO -0.13 -0.83 1.01 -1.54 0.04 0.00 0.00 177.00 175.55 3hsq s SER 187 N -0.52 6.26 0.10 6.66 1.04 -0.98 -4.98 113.70 121.28 3hsq s SER 187 Ca 0.61 1.39 -0.15 0.00 0.48 0.00 0.00 55.95 58.29 3hsq s SER 187 Cb -0.44 -2.45 0.03 0.00 0.10 0.00 0.00 66.02 63.26 3hsq s SER 187 CO 0.56 -0.83 0.35 0.42 0.98 0.00 0.00 173.24 174.72 3hsq s THR 188 N -3.11 0.08 -0.11 2.02 -4.23 -0.19 -4.74 115.64 105.36 3hsq s THR 188 Ca 0.55 -0.70 -0.29 0.00 -1.18 0.00 0.00 61.69 60.06 3hsq s THR 188 Cb -0.11 -1.15 -0.04 0.00 1.34 0.00 0.00 72.50 72.54 3hsq s THR 188 CO 0.52 -0.38 1.54 -0.69 -0.54 0.00 0.00 174.62 175.07 3hsq s VAL 189 N -3.54 3.79 -0.08 2.29 1.01 0.37 -1.55 120.40 122.68 3hsq s VAL 189 Ca 0.02 0.94 0.21 0.00 0.00 0.00 0.00 61.98 63.15 3hsq s VAL 189 Cb 0.02 -3.64 -0.28 0.00 0.00 0.00 0.00 36.38 32.48 3hsq s VAL 189 CO -0.10 -0.12 0.49 1.33 0.00 0.00 0.00 175.10 176.71 3hsq n VAL 190 N 5.59 0.36 -3.19 2.92 0.24 -0.22 -0.69 118.33 123.33 3hsq n VAL 190 Ca 0.17 -0.57 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 3hsq n VAL 190 Cb 0.44 -0.15 0.00 0.00 -1.47 0.00 0.00 33.84 32.66 3hsq n VAL 190 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hsq n GLY 191 N 1.34 -1.21 3.91 7.63 0.00 -1.21 -4.92 105.19 110.73 3hsq n GLY 191 Ca -0.09 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.76 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 4.34 -1.36 0.99 1.43 -1.26 -0.62 118.68 122.20 3hsq s LEU 192 Ca 0.00 0.26 -0.16 0.00 -1.03 0.00 0.00 54.13 53.20 3hsq s LEU 192 Cb 0.00 -2.94 0.07 0.00 0.03 0.00 0.00 46.19 43.35 3hsq s LEU 192 CO 0.00 0.17 1.94 -3.20 0.23 0.00 0.00 176.35 175.48 3hsq n ASN 193 N 0.28 4.52 -0.17 2.29 5.15 0.20 -4.64 115.26 122.88 3hsq n ASN 193 Ca -0.05 -2.90 -0.08 0.00 -0.60 0.00 0.00 54.58 50.95 3hsq n ASN 193 Cb 0.51 -1.69 0.07 0.00 -0.53 0.00 0.00 39.78 38.14 3hsq n ASN 193 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 3hsq h SER 194 N 6.80 0.96 -0.08 1.20 0.02 -1.95 -2.17 113.55 118.34 3hsq h SER 194 Ca 0.49 -0.27 0.02 0.00 -0.84 0.00 0.00 61.79 61.19 3hsq h SER 194 Cb 0.76 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 3hsq h SER 194 CO 1.64 1.03 -0.05 1.62 -1.14 0.00 0.00 176.83 179.92 3hsq h VAL 195 N 0.89 0.84 -0.80 2.27 3.04 -1.99 -1.26 116.25 119.23 3hsq h VAL 195 Ca 0.16 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.81 3hsq h VAL 195 Cb 0.56 0.84 -0.04 0.00 -2.01 0.00 0.00 31.29 30.64 3hsq h VAL 195 CO 0.03 0.00 0.35 1.23 -1.01 0.00 0.00 177.57 178.18 3hsq h GLY 196 N -0.06 1.25 1.14 3.17 0.00 -1.90 -1.96 103.07 104.71 3hsq h GLY 196 Ca 0.05 -0.64 -0.11 0.00 0.00 0.00 0.00 47.33 46.63 3hsq h GLY 196 CO -0.12 0.61 -0.10 -0.33 0.00 0.00 0.00 176.54 176.60 3hsq h MET 197 N 1.15 1.00 -0.46 4.80 2.86 -1.14 -1.72 114.93 121.43 3hsq h MET 197 Ca 0.27 -0.36 -0.12 0.00 -2.06 0.00 0.00 59.70 57.43 3hsq h MET 197 Cb 0.16 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 3hsq h MET 197 CO -0.03 1.04 -0.19 0.87 1.06 0.00 0.00 176.91 179.66 3hsq h LYS 198 N 0.89 0.94 0.00 1.72 1.57 -1.17 -2.36 116.57 118.16 3hsq h LYS 198 Ca 0.14 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3hsq h LYS 198 Cb 0.66 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3hsq h LYS 198 CO 0.05 1.06 0.00 -0.09 -0.57 0.00 0.00 179.45 179.90 3hsq h ARG 199 N 0.78 0.00 -0.61 3.15 2.43 -1.23 -2.17 114.38 116.73 3hsq h ARG 199 Ca 0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3hsq h ARG 199 Cb 0.76 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 3hsq h ARG 199 CO 0.06 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.52 3hsq n ALA 200 N -1.95 2.40 -1.52 2.80 0.00 -0.66 -4.95 120.51 116.64 3hsq n ALA 200 Ca -0.00 -1.11 -0.12 0.00 0.00 0.00 0.00 53.44 52.20 3hsq n ALA 200 Cb 0.18 -0.94 -0.04 0.00 0.00 0.00 0.00 19.45 18.65 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 1.53 1.04 3.71 0.00 0.00 -0.82 -4.97 105.19 105.68 3hsq n GLY 201 Ca 0.21 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 3hsq n GLY 201 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hsq s PHE 202 N -2.48 2.91 0.53 1.61 0.40 -0.92 -4.98 117.98 115.05 3hsq s PHE 202 Ca 0.00 0.63 -0.20 0.00 -0.60 0.00 0.00 56.93 56.76 3hsq s PHE 202 Cb 0.00 -3.86 -0.06 0.00 0.51 0.00 0.00 43.02 39.61 3hsq s PHE 202 CO 0.00 -3.24 1.13 -1.54 0.70 0.00 0.00 175.22 172.27 3hsq s SER 203 N 1.54 5.81 0.40 1.36 1.04 -1.26 -4.74 113.70 117.86 3hsq s SER 203 Ca 0.69 2.17 0.24 0.00 0.48 0.00 0.00 55.95 59.53 3hsq s SER 203 Cb -0.40 -2.58 1.31 0.00 0.10 0.00 0.00 66.02 64.45 3hsq s SER 203 CO 0.31 -1.15 1.63 -0.65 0.98 0.00 0.00 173.24 174.36 3hsq h PRO 204 N 1.31 0.14 -0.52 4.02 0.11 -1.98 0.18 132.00 135.26 3hsq h PRO 204 Ca -0.50 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.48 3hsq h PRO 204 Cb 1.26 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3hsq h PRO 204 CO 0.57 0.09 -0.16 0.93 -0.21 0.00 0.00 178.00 179.23 3hsq h GLU 205 N 0.14 1.02 -0.24 1.05 3.07 -1.98 0.27 114.58 117.92 3hsq h GLU 205 Ca 0.79 -0.40 -0.06 0.00 -0.50 0.00 0.00 59.36 59.19 3hsq h GLU 205 Cb 2.24 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 30.09 3hsq h GLU 205 CO -0.53 1.08 -0.10 0.28 -1.40 0.00 0.00 179.01 178.35 3hsq h VAL 206 N 0.89 1.30 -0.55 3.13 2.07 -1.14 -0.78 116.25 121.17 3hsq h VAL 206 Ca 0.13 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.48 3hsq h VAL 206 Cb 0.73 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 3hsq h VAL 206 CO 0.06 0.36 0.35 0.03 0.02 0.00 0.00 177.57 178.39 3hsq h ARG 207 N 0.21 0.73 -0.65 1.57 3.08 -0.72 -1.66 114.38 116.93 3hsq h ARG 207 Ca 0.05 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3hsq h ARG 207 Cb 0.60 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 3hsq h ARG 207 CO 0.03 0.50 0.20 -0.91 -1.07 0.00 0.00 179.97 178.73 3hsq h ASN 208 N 0.74 0.92 -0.55 7.04 2.35 -0.45 -1.58 115.58 124.06 3hsq h ASN 208 Ca 0.20 -0.16 -0.10 0.00 -0.55 0.00 0.00 56.30 55.69 3hsq h ASN 208 Cb -0.06 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.05 3hsq h ASN 208 CO -0.04 0.86 -0.06 0.00 -1.65 0.00 0.00 177.43 176.54 3hsq h ALA 209 N 1.26 0.83 -0.21 -0.83 0.00 -0.88 -1.28 119.26 118.15 3hsq h ALA 209 Ca 0.21 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3hsq h ALA 209 Cb 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3hsq h ALA 209 CO -0.01 0.66 0.09 0.82 0.00 0.00 0.00 179.25 180.82 3hsq h ILE 210 N 0.92 1.15 -0.37 0.00 2.04 -1.18 -1.62 117.51 118.45 3hsq h ILE 210 Ca 0.15 -0.45 0.04 0.00 1.00 0.00 0.00 64.86 65.60 3hsq h ILE 210 Cb 0.61 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.72 3hsq h ILE 210 CO 0.04 0.15 0.15 0.50 0.00 0.00 0.00 178.15 178.99 3hsq h LYS 211 N 0.19 0.31 -0.76 2.37 3.64 -1.16 -2.54 116.57 118.62 3hsq h LYS 211 Ca 0.07 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 3hsq h LYS 211 Cb 0.15 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 3hsq h LYS 211 CO -0.01 0.20 0.43 1.25 -2.27 0.00 0.00 179.45 179.06 3hsq h HIS 212 N 0.32 1.03 -0.29 1.91 2.76 -1.15 -1.09 115.15 118.64 3hsq h HIS 212 Ca 0.17 -0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.38 3hsq h HIS 212 Cb 0.12 -0.33 -0.06 0.00 1.55 0.00 0.00 27.41 28.69 3hsq h HIS 212 CO -0.13 0.72 -0.10 0.00 -1.30 0.00 0.00 177.93 177.12 3hsq h ALA 213 N 1.22 0.16 0.00 5.26 0.00 -1.03 -1.99 119.26 122.88 3hsq h ALA 213 Ca 0.27 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.22 3hsq h ALA 213 Cb 0.01 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3hsq h ALA 213 CO -0.05 -0.49 -0.33 1.88 0.00 0.00 0.00 179.25 180.26 3hsq h TYR 214 N -0.04 0.00 -0.43 0.00 0.05 -1.19 -0.55 116.97 114.82 3hsq h TYR 214 Ca 0.15 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.92 3hsq h TYR 214 Cb 0.26 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 3hsq h TYR 214 CO -0.30 0.33 0.23 -0.22 -1.05 0.00 0.00 178.16 177.15 3hsq h LYS 215 N 0.00 0.60 -0.07 4.88 3.64 -0.69 0.42 116.57 125.35 3hsq h LYS 215 Ca -0.00 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 3hsq h LYS 215 Cb 0.79 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.49 3hsq h LYS 215 CO 0.04 0.49 -0.00 0.28 -2.27 0.00 0.00 179.45 177.99 3hsq h VAL 216 N 0.55 1.26 -0.15 2.00 2.07 -1.03 0.25 116.25 121.20 3hsq h VAL 216 Ca 0.15 -0.81 0.02 0.00 0.82 0.00 0.00 66.70 66.87 3hsq h VAL 216 Cb 0.07 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 3hsq h VAL 216 CO -0.02 0.23 0.03 0.40 0.02 0.00 0.00 177.57 178.23 3hsq h ILE 217 N -0.17 0.94 0.00 4.57 2.04 -0.99 -3.37 117.51 120.53 3hsq h ILE 217 Ca 0.02 -0.03 -0.07 0.00 1.00 0.00 0.00 64.86 65.78 3hsq h ILE 217 Cb 0.36 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3hsq h ILE 217 CO 0.00 0.02 -1.58 -1.22 0.00 0.00 0.00 178.15 175.38 3hsq n TYR 218 N -5.08 0.00 -1.54 1.37 4.01 0.15 -4.63 117.16 111.44 3hsq n TYR 218 Ca -0.04 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.77 3hsq n TYR 218 Cb 0.07 -0.35 0.17 0.00 -0.31 0.00 0.00 39.34 38.93 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 -2.07 0.00 -0.79 -0.72 8.25 0.86 -4.68 115.22 116.07 3hsq n HIS 219 Ca -0.07 -1.26 0.05 0.00 -0.26 0.00 0.00 57.72 56.17 3hsq n HIS 219 Cb 0.49 -0.21 0.06 0.00 1.12 0.00 0.00 29.99 31.45 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 1.79 -2.49 0.41 7.64 -1.05 -4.88 113.62 113.99 3hsq n SER 220 Ca 0.17 -2.42 -0.18 0.00 1.01 0.00 0.00 58.87 57.44 3hsq n SER 220 Cb 0.71 -0.22 0.03 0.00 -1.01 0.00 0.00 64.21 63.72 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 -0.84 -0.29 3.11 0.23 0.00 -1.26 -5.02 105.19 101.11 3hsq n GLY 221 Ca 0.07 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.06 0.63 0.66 -0.61 -4.36 -1.26 -5.15 121.20 108.05 3hsq s ILE 222 Ca 0.25 -1.45 -0.17 0.00 -0.26 0.00 0.00 60.65 59.01 3hsq s ILE 222 Cb -0.11 -1.08 -0.05 0.00 1.25 0.00 0.00 42.46 42.47 3hsq s ILE 222 CO 0.30 -0.59 0.68 -1.20 0.24 0.00 0.00 174.94 174.37 3hsq n SER 223 N 0.81 -0.53 -0.31 4.36 7.64 -1.26 -4.77 113.62 119.57 3hsq n SER 223 Ca -0.18 0.68 -0.05 0.00 1.01 0.00 0.00 58.87 60.33 3hsq n SER 223 Cb 0.57 -1.27 0.07 0.00 -1.01 0.00 0.00 64.21 62.58 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 1.24 -0.26 0.44 1.03 -1.96 -0.76 112.91 112.60 3hsq h THR 224 Ca -0.46 -0.60 -0.00 0.00 -0.01 0.00 0.00 66.41 65.33 3hsq h THR 224 Cb 1.36 0.13 -0.01 0.00 -1.07 0.00 0.00 68.15 68.56 3hsq h THR 224 CO 0.46 0.27 0.15 -0.09 -0.01 0.00 0.00 175.52 176.30 3hsq h ARG 225 N 1.15 0.36 -0.47 0.00 2.43 -1.95 -1.21 114.38 114.69 3hsq h ARG 225 Ca 0.29 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.46 3hsq h ARG 225 Cb 0.02 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.46 3hsq h ARG 225 CO -0.05 0.31 0.24 0.87 -1.51 0.00 0.00 179.97 179.83 3hsq h LYS 226 N 0.31 0.46 -0.16 0.20 1.57 -1.88 -2.22 116.57 114.84 3hsq h LYS 226 Ca 0.09 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3hsq h LYS 226 Cb 0.05 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 3hsq h LYS 226 CO -0.02 0.30 0.05 0.00 -0.57 0.00 0.00 179.45 179.21 3hsq h ALA 227 N 1.25 0.17 -0.71 3.86 0.00 -0.83 -0.30 119.26 122.70 3hsq h ALA 227 Ca 0.21 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3hsq h ALA 227 Cb 0.11 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3hsq h ALA 227 CO -0.14 -0.39 0.35 -0.07 0.00 0.00 0.00 179.25 179.00 3hsq h LEU 228 N 0.12 0.93 -0.78 0.00 3.38 -1.16 -0.37 115.31 117.43 3hsq h LEU 228 Ca 0.07 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3hsq h LEU 228 Cb 0.05 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 3hsq h LEU 228 CO -0.08 0.79 0.48 0.44 0.09 0.00 0.00 178.44 180.16 3hsq h ASP 229 N 0.99 0.93 -0.40 -0.43 3.32 -1.23 -1.49 116.42 118.12 3hsq h ASP 229 Ca 0.25 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 3hsq h ASP 229 Cb 0.10 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3hsq h ASP 229 CO -0.03 0.71 0.15 -0.33 -1.72 0.00 0.00 179.24 178.02 3hsq h GLU 230 N 1.06 0.60 -0.32 3.56 5.08 -0.58 -2.02 114.58 121.98 3hsq h GLU 230 Ca 0.28 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 3hsq h GLU 230 Cb -0.06 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 3hsq h GLU 230 CO -0.05 0.58 0.12 -0.07 -1.00 0.00 0.00 179.01 178.58 3hsq h LEU 231 N 0.50 0.44 -0.83 1.33 3.38 -0.94 -2.32 115.31 116.87 3hsq h LEU 231 Ca 0.13 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3hsq h LEU 231 Cb 0.21 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3hsq h LEU 231 CO -0.01 0.50 0.55 -0.33 0.09 0.00 0.00 178.44 179.24 3hsq h GLU 232 N 0.36 1.08 -0.19 1.13 5.08 -1.28 -2.92 114.58 117.85 3hsq h GLU 232 Ca 0.10 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 3hsq h GLU 232 Cb 0.21 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3hsq h GLU 232 CO -0.01 0.72 -0.18 0.00 -1.00 0.00 0.00 179.01 178.54 3hsq h ALA 233 N 1.31 1.35 0.00 3.43 0.00 -1.26 -3.11 119.26 120.98 3hsq h ALA 233 Ca 0.31 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hsq h ALA 233 Cb -0.12 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3hsq h ALA 233 CO -0.07 0.44 0.00 0.66 0.00 0.00 0.00 179.25 180.28 3hsq h SER 234 N 0.29 0.00 0.00 0.00 4.64 -1.21 -3.47 113.55 113.80 3hsq h SER 234 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3hsq h SER 234 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3hsq h SER 234 CO 0.03 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 3hsq n GLY 235 N -0.80 1.73 3.49 -0.77 0.00 -1.18 -4.95 105.19 102.71 3hsq n GLY 235 Ca -0.00 -0.76 -0.44 0.00 0.00 0.00 0.00 46.02 44.82 3hsq n GLY 235 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hsq s ASN 236 N -4.00 6.98 -0.06 1.61 2.20 -1.26 -4.99 114.94 115.42 3hsq s ASN 236 Ca 0.00 -2.79 -0.23 0.00 -0.94 0.00 0.00 52.86 48.90 3hsq s ASN 236 Cb 0.00 -2.44 -0.04 0.00 -2.00 0.00 0.00 41.25 36.77 3hsq s ASN 236 CO 0.00 -0.87 0.68 -0.76 -2.94 0.00 0.00 177.10 173.21 3hsq s LEU 237 N 2.29 4.33 0.68 3.54 1.43 -1.26 -5.06 118.68 124.63 3hsq s LEU 237 Ca 0.45 1.18 -0.12 0.00 -1.03 0.00 0.00 54.13 54.60 3hsq s LEU 237 Cb -0.01 -3.06 0.01 0.00 0.03 0.00 0.00 46.19 43.16 3hsq s LEU 237 CO 0.01 -0.09 1.07 0.27 0.23 0.00 0.00 176.35 177.84 3hsq s ILE 238 N 0.68 3.77 0.40 -0.59 -4.36 -1.26 -4.83 121.20 115.00 3hsq s ILE 238 Ca 0.36 0.65 0.09 0.00 -0.26 0.00 0.00 60.65 61.50 3hsq s ILE 238 Cb -0.18 -3.27 0.31 0.00 1.25 0.00 0.00 42.46 40.57 3hsq s ILE 238 CO 0.18 -0.67 1.97 -0.33 0.24 0.00 0.00 174.94 176.33 3hsq h GLU 239 N -0.47 0.57 -0.43 0.37 3.07 -1.99 -1.11 114.58 114.59 3hsq h GLU 239 Ca -0.45 -0.03 -0.13 0.00 -0.50 0.00 0.00 59.36 58.25 3hsq h GLU 239 Cb 1.22 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.99 3hsq h GLU 239 CO 0.56 0.38 -0.25 1.96 -1.40 0.00 0.00 179.01 180.25 3hsq h GLN 240 N 0.59 0.90 -0.03 2.33 7.50 -1.98 -2.14 115.11 122.28 3hsq h GLN 240 Ca 0.29 -0.39 -0.18 0.00 0.50 0.00 0.00 58.65 58.86 3hsq h GLN 240 Cb 0.37 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 27.86 3hsq h GLN 240 CO -0.09 1.05 -0.78 0.28 -1.50 0.00 0.00 178.83 177.78 3hsq h VAL 241 N 0.77 1.44 -0.92 -0.54 2.07 -1.62 -1.85 116.25 115.60 3hsq h VAL 241 Ca 0.10 -2.36 0.01 0.00 0.82 0.00 0.00 66.70 65.27 3hsq h VAL 241 Cb 0.81 2.28 -0.04 0.00 -1.52 0.00 0.00 31.29 32.81 3hsq h VAL 241 CO 0.07 0.69 0.59 0.11 0.02 0.00 0.00 177.57 179.05 3hsq h LYS 242 N 0.16 1.22 -0.22 1.57 1.57 -1.26 -2.33 116.57 117.28 3hsq h LYS 242 Ca -0.03 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 3hsq h LYS 242 Cb 1.37 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 3hsq h LYS 242 CO 0.12 0.82 -0.07 -0.92 -0.57 0.00 0.00 179.45 178.83 3hsq h TYR 243 N 1.25 0.49 -0.31 -1.35 -0.00 -1.15 -1.32 116.97 114.58 3hsq h TYR 243 Ca 0.33 -0.11 0.07 0.00 -0.00 0.00 0.00 58.73 59.02 3hsq h TYR 243 Cb -0.12 -0.12 -0.08 0.00 -0.00 0.00 0.00 36.73 36.41 3hsq h TYR 243 CO -0.00 0.69 -0.24 0.82 -0.00 0.00 0.00 178.16 179.42 3hsq h ILE 244 N 0.15 0.37 -0.11 1.81 2.04 -1.26 0.36 117.51 120.88 3hsq h ILE 244 Ca 0.05 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.94 3hsq h ILE 244 Cb 0.54 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 3hsq h ILE 244 CO 0.02 0.00 -0.07 0.40 0.00 0.00 0.00 178.15 178.50 3hsq h ILE 245 N -0.21 0.78 -0.76 -0.67 2.04 -1.32 -1.69 117.51 115.67 3hsq h ILE 245 Ca 0.16 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.04 3hsq h ILE 245 Cb 0.46 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 3hsq h ILE 245 CO -0.44 0.00 0.49 0.50 0.00 0.00 0.00 178.15 178.71 3hsq h LYS 246 N -0.08 0.96 -0.15 2.37 3.64 -0.89 0.71 116.57 123.13 3hsq h LYS 246 Ca 0.07 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 3hsq h LYS 246 Cb 0.18 -0.22 -0.06 0.00 -0.41 0.00 0.00 32.23 31.72 3hsq h LYS 246 CO -0.16 0.64 -0.24 0.35 -2.27 0.00 0.00 179.45 177.77 3hsq h PHE 247 N 0.99 -0.63 -0.47 1.91 3.57 0.20 0.12 116.94 122.64 3hsq h PHE 247 Ca 0.29 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.82 3hsq h PHE 247 Cb -0.07 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 3hsq h PHE 247 CO -0.03 -0.32 0.29 0.74 -2.23 0.00 0.00 178.31 176.77 3hsq h PHE 248 N -0.29 0.61 -0.69 0.41 -1.00 -1.15 -2.92 116.94 111.91 3hsq h PHE 248 Ca 0.11 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.86 3hsq h PHE 248 Cb 0.45 -0.20 -0.03 0.00 3.61 0.00 0.00 35.95 39.78 3hsq h PHE 248 CO -0.35 0.42 0.34 0.00 -1.61 0.00 0.00 178.31 177.11 3hsq h ARG 249 N 0.62 1.00 -0.07 1.51 2.47 -0.35 -2.99 114.38 116.57 3hsq h ARG 249 Ca 0.17 -0.15 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 3hsq h ARG 249 Cb -0.02 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.12 3hsq h ARG 249 CO -0.03 0.78 0.00 -0.25 0.56 0.00 0.00 179.97 181.03 3hsq n ASP 250 N -4.45 0.99 -4.72 7.04 8.00 0.36 -4.94 116.55 118.83 3hsq n ASP 250 Ca 0.06 -1.50 -0.42 0.00 0.71 0.00 0.00 54.79 53.64 3hsq n ASP 250 Cb 0.13 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 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 -1.72 6.82 -0.17 -2.24 0.15 -1.11 -4.95 113.70 110.47 3hsq s SER 251 Ca 0.34 2.40 -0.24 0.00 0.70 0.00 0.00 55.95 59.15 3hsq s SER 251 Cb 0.18 -2.60 -0.23 0.00 -1.71 0.00 0.00 66.02 61.66 3hsq s SER 251 CO 0.28 -0.63 0.46 0.44 1.20 0.00 0.00 173.24 174.99 3hsq h ASP 252 N 6.22 0.05 1.15 5.45 3.32 -1.91 -3.37 116.42 127.32 3hsq h ASP 252 Ca -0.43 -0.73 0.00 0.00 0.02 0.00 0.00 57.03 55.89 3hsq h ASP 252 Cb 1.21 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3hsq h ASP 252 CO 0.83 1.33 -0.56 0.03 -1.72 0.00 0.00 179.24 179.14 3hsq h ARG 253 N -0.92 0.00 0.00 3.56 3.08 -1.93 -3.50 114.38 114.68 3hsq h ARG 253 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.83 3hsq h ARG 253 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 3hsq h ARG 253 CO -0.10 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.21 3hsq n GLY 254 N 1.25 1.37 3.59 0.04 0.00 -1.26 -4.89 105.19 105.30 3hsq n GLY 254 Ca 0.03 -1.92 -0.34 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.38 4.02 0.17 1.61 1.01 -1.26 -1.16 120.40 122.40 3hsq s VAL 255 Ca 0.00 -0.34 -0.32 0.00 0.00 0.00 0.00 61.98 61.31 3hsq s VAL 255 Cb 0.00 -2.70 -0.16 0.00 0.00 0.00 0.00 36.38 33.52 3hsq s VAL 255 CO 0.00 0.56 1.05 0.41 0.00 0.00 0.00 175.10 177.13 3hsq n THR 256 N 2.66 1.05 -0.95 3.92 -1.04 -0.50 -4.81 114.28 114.61 3hsq n THR 256 Ca -0.18 -0.26 -0.31 0.00 -2.04 0.00 0.00 64.05 61.26 3hsq n THR 256 Cb 0.53 -0.66 0.15 0.00 -1.82 0.00 0.00 70.33 68.53 3hsq n THR 256 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 3hsq s ASN 257 N -0.19 3.31 0.16 8.00 -0.87 -1.26 -4.68 114.94 119.42 3hsq s ASN 257 Ca 0.72 1.89 -0.10 0.00 -1.57 0.00 0.00 52.86 53.80 3hsq s ASN 257 Cb -0.89 -2.46 -0.07 0.00 -0.02 0.00 0.00 41.25 37.81 3hsq s ASN 257 CO 0.54 -2.80 0.49 -2.28 -2.57 0.00 0.00 177.10 170.48 3hsq s HIS 258 N -2.76 3.51 -2.00 2.20 2.46 -1.26 -0.48 115.29 116.96 3hsq s HIS 258 Ca 0.65 0.85 0.08 0.00 0.47 0.00 0.00 55.06 57.11 3hsq s HIS 258 Cb -0.20 -2.23 0.49 0.00 -0.13 0.00 0.00 32.58 30.51 3hsq s HIS 258 CO 0.58 0.39 0.95 -2.13 -2.47 0.00 0.00 174.74 172.05