#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hfd s LEU 17 N 0.00 3.16 -1.11 1.39 1.02 0.15 -4.14 118.68 119.16 1hfd s LEU 17 Ca 0.00 -0.08 0.00 0.00 0.02 0.00 0.00 54.13 54.07 1hfd s LEU 17 Cb 0.00 -1.72 0.00 0.00 0.02 0.00 0.00 46.19 44.49 1hfd s LEU 17 CO 0.00 0.28 0.00 0.61 0.02 0.00 0.00 176.35 177.26 1hfd n GLY 18 N 2.77 1.11 2.66 -3.19 0.00 -1.23 -1.57 105.19 105.74 1hfd n GLY 18 Ca -0.18 -0.54 -0.16 0.00 0.00 0.00 0.00 46.02 45.15 1hfd n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hfd n GLY 19 N -1.63 2.41 3.61 -0.02 0.00 -1.26 -4.80 105.19 103.49 1hfd n GLY 19 Ca -0.11 -2.23 -0.28 0.00 0.00 0.00 0.00 46.02 43.41 1hfd n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hfd s ARG 20 N -3.68 1.96 0.30 1.61 0.52 -0.42 -4.93 118.95 114.31 1hfd s ARG 20 Ca 0.31 -2.16 -0.28 0.00 -0.52 0.00 0.00 55.73 53.08 1hfd s ARG 20 Cb -0.02 -1.30 -0.09 0.00 0.52 0.00 0.00 34.95 34.05 1hfd s ARG 20 CO 0.20 -0.23 1.01 -2.00 0.02 0.00 0.00 175.30 174.30 1hfd s GLU 21 N -3.80 4.62 0.47 3.54 2.12 -1.26 -1.43 118.70 122.96 1hfd s GLU 21 Ca 0.25 1.56 -0.15 0.00 0.36 0.00 0.00 54.97 56.99 1hfd s GLU 21 Cb 0.06 -3.03 -0.08 0.00 0.26 0.00 0.00 34.13 31.35 1hfd s GLU 21 CO 0.13 0.26 0.90 0.00 -0.54 0.00 0.00 175.26 176.01 1hfd s ALA 22 N -1.35 3.17 0.21 6.30 0.00 0.48 -4.81 121.76 125.76 1hfd s ALA 22 Ca 0.47 0.06 -0.31 0.00 0.00 0.00 0.00 51.96 52.18 1hfd s ALA 22 Cb -0.26 -2.97 -0.11 0.00 0.00 0.00 0.00 23.12 19.79 1hfd s ALA 22 CO 0.32 -0.12 1.60 -2.00 0.00 0.00 0.00 175.76 175.56 1hfd s GLU 23 N -3.91 4.18 0.08 0.00 2.12 -1.26 -4.85 118.70 115.05 1hfd s GLU 23 Ca 0.56 2.46 -0.32 0.00 0.36 0.00 0.00 54.97 58.04 1hfd s GLU 23 Cb -0.10 -3.10 -0.11 0.00 0.26 0.00 0.00 34.13 31.08 1hfd s GLU 23 CO 0.30 -0.63 1.85 0.00 -0.54 0.00 0.00 175.26 176.24 1hfd n ALA 24 N 3.45 1.81 -2.75 6.30 0.00 -1.26 -2.36 120.51 125.70 1hfd n ALA 24 Ca 0.12 0.30 -0.22 0.00 0.00 0.00 0.00 53.44 53.65 1hfd n ALA 24 Cb 0.38 -2.57 0.01 0.00 0.00 0.00 0.00 19.45 17.27 1hfd n ALA 24 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1hfd n HIS 25 N 5.91 -1.54 1.30 0.00 8.25 -1.26 -4.89 115.22 122.99 1hfd n HIS 25 Ca 0.19 0.29 0.13 0.00 -0.26 0.00 0.00 57.72 58.07 1hfd n HIS 25 Cb 0.36 -4.22 0.38 0.00 1.12 0.00 0.00 29.99 27.63 1hfd n HIS 25 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1hfd n ALA 26 N -2.87 2.90 -3.54 -1.41 0.00 -1.00 -4.28 120.51 110.32 1hfd n ALA 26 Ca -0.17 -0.45 -0.27 0.00 0.00 0.00 0.00 53.44 52.54 1hfd n ALA 26 Cb 0.65 -1.10 -0.11 0.00 0.00 0.00 0.00 19.45 18.89 1hfd n ALA 26 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1hfd s ARG 27 N -2.29 1.30 0.41 0.00 0.52 -1.26 -4.99 118.95 112.63 1hfd s ARG 27 Ca 0.29 -2.38 0.28 0.00 -0.52 0.00 0.00 55.73 53.40 1hfd s ARG 27 Cb 0.20 -1.97 1.46 0.00 0.52 0.00 0.00 34.95 35.16 1hfd s ARG 27 CO 0.45 -1.34 1.86 -1.35 0.02 0.00 0.00 175.30 174.94 1hfd h PRO 28 N 5.70 0.00 0.00 3.54 0.11 -1.79 -2.19 132.00 137.36 1hfd h PRO 28 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1hfd h PRO 28 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1hfd h PRO 28 CO 0.46 0.00 -0.35 2.48 -0.21 0.00 0.00 178.00 180.38 1hfd n TYR 29 N -2.51 0.06 -1.88 0.65 0.18 -1.15 -2.60 117.16 109.90 1hfd n TYR 29 Ca -0.01 0.02 -0.42 0.00 1.88 0.00 0.00 57.90 59.36 1hfd n TYR 29 Cb 0.09 -0.37 -0.03 0.00 -0.38 0.00 0.00 39.34 38.66 1hfd n TYR 29 CO 0.00 0.00 0.00 1.41 -2.08 0.00 0.00 176.86 176.19 1hfd s MET 30 N -3.01 4.18 0.18 -3.48 1.75 -0.83 -1.72 119.30 116.37 1hfd s MET 30 Ca 0.12 2.39 0.09 0.00 -1.25 0.00 0.00 55.69 57.04 1hfd s MET 30 Cb 0.18 -3.60 -0.04 0.00 2.84 0.00 0.00 34.83 34.21 1hfd s MET 30 CO 0.65 -0.76 -0.20 0.00 -0.65 0.00 0.00 175.02 174.06 1hfd s ALA 31 N 2.65 2.18 -0.21 4.11 0.00 -0.25 -4.41 121.76 125.83 1hfd s ALA 31 Ca 0.75 -1.54 0.02 0.00 0.00 0.00 0.00 51.96 51.19 1hfd s ALA 31 Cb -0.41 -0.23 0.04 0.00 0.00 0.00 0.00 23.12 22.52 1hfd s ALA 31 CO 0.33 0.29 -0.16 0.45 0.00 0.00 0.00 175.76 176.67 1hfd s SER 32 N -2.69 3.67 -0.18 0.00 0.15 -0.31 -1.70 113.70 112.64 1hfd s SER 32 Ca 0.17 -0.96 -0.24 0.00 0.70 0.00 0.00 55.95 55.62 1hfd s SER 32 Cb -0.06 -1.50 -0.02 0.00 -1.71 0.00 0.00 66.02 62.73 1hfd s SER 32 CO 0.08 -0.08 0.80 -0.69 1.20 0.00 0.00 173.24 174.54 1hfd s VAL 33 N 1.22 4.90 0.13 4.45 1.01 -0.09 -0.60 120.40 131.43 1hfd s VAL 33 Ca -0.01 1.55 0.08 0.00 0.00 0.00 0.00 61.98 63.61 1hfd s VAL 33 Cb -0.16 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 1hfd s VAL 33 CO -0.10 0.03 -0.13 -1.10 0.00 0.00 0.00 175.10 173.81 1hfd s GLN 34 N 2.16 1.98 -0.30 2.72 -0.21 0.97 -0.76 119.66 126.23 1hfd s GLN 34 Ca 0.36 -1.16 0.01 0.00 0.02 0.00 0.00 55.36 54.60 1hfd s GLN 34 Cb -0.16 -2.19 0.09 0.00 1.00 0.00 0.00 33.01 31.74 1hfd s GLN 34 CO 0.12 0.47 0.03 -1.17 -2.12 0.00 0.00 175.29 172.62 1hfd s LEU 35 N -2.39 3.27 -0.96 2.90 2.96 0.13 -1.97 118.68 122.60 1hfd s LEU 35 Ca 0.21 -1.68 -0.02 0.00 -0.22 0.00 0.00 54.13 52.43 1hfd s LEU 35 Cb -0.10 -1.25 0.00 0.00 0.50 0.00 0.00 46.19 45.34 1hfd s LEU 35 CO 0.13 -0.34 0.81 0.59 -1.32 0.00 0.00 176.35 176.22 1hfd n ASN 36 N 4.57 -2.79 0.00 3.68 3.02 -0.92 -3.10 115.26 119.73 1hfd n ASN 36 Ca -0.03 -0.47 0.00 0.00 -0.03 0.00 0.00 54.58 54.05 1hfd n ASN 36 Cb 0.43 -4.09 0.00 0.00 -0.61 0.00 0.00 39.78 35.51 1hfd n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hfd n GLY 38 N -1.23 0.51 3.38 7.41 0.00 -1.26 -5.01 105.19 108.97 1hfd n GLY 38 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 1hfd n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hfd s ALA 39 N -2.29 2.35 0.20 4.61 0.00 -1.18 -5.10 121.76 120.35 1hfd s ALA 39 Ca 0.00 -1.19 -0.30 0.00 0.00 0.00 0.00 51.96 50.47 1hfd s ALA 39 Cb 0.00 -0.61 -0.09 0.00 0.00 0.00 0.00 23.12 22.42 1hfd s ALA 39 CO 0.00 0.54 1.39 -1.58 0.00 0.00 0.00 175.76 176.11 1hfd s HIS 40 N -0.78 3.16 -0.02 0.00 2.46 -1.26 -0.70 115.29 118.16 1hfd s HIS 40 Ca 0.12 1.06 -0.05 0.00 0.47 0.00 0.00 55.06 56.67 1hfd s HIS 40 Cb -0.10 -3.71 -0.02 0.00 -0.13 0.00 0.00 32.58 28.61 1hfd s HIS 40 CO 0.02 -2.35 -0.10 -0.11 -2.47 0.00 0.00 174.74 169.73 1hfd n LEU 41 N 2.87 1.04 -4.12 8.88 7.94 0.06 -4.86 117.00 128.81 1hfd n LEU 41 Ca 0.08 0.16 -0.11 0.00 -1.11 0.00 0.00 56.01 55.02 1hfd n LEU 41 Cb 0.41 -0.37 -0.08 0.00 0.53 0.00 0.00 43.42 43.92 1hfd n LEU 41 CO 0.59 -0.31 -0.05 0.00 -1.11 0.00 0.00 177.39 176.51 1hfd s GLY 43 N -3.12 1.76 0.16 0.00 0.00 0.35 -0.91 107.32 105.56 1hfd s GLY 43 Ca 0.32 -1.44 -0.24 0.00 0.00 0.00 0.00 44.72 43.36 1hfd s GLY 43 CO 0.12 -0.90 0.76 -0.32 0.00 0.00 0.00 173.10 172.76 1hfd s GLY 44 N -4.68 -0.38 -0.03 0.20 0.00 -0.69 -3.94 107.32 97.81 1hfd s GLY 44 Ca 0.65 0.32 0.01 0.00 0.00 0.00 0.00 44.72 45.71 1hfd s GLY 44 CO 0.45 0.10 -0.04 0.54 0.00 0.00 0.00 173.10 174.15 1hfd s VAL 45 N -3.58 0.48 -0.12 1.40 0.11 0.96 -1.09 120.40 118.56 1hfd s VAL 45 Ca 0.07 -0.14 -0.30 0.00 -2.93 0.00 0.00 61.98 58.68 1hfd s VAL 45 Cb -0.02 -0.48 -0.02 0.00 -1.53 0.00 0.00 36.38 34.33 1hfd s VAL 45 CO -0.04 0.19 1.23 -0.22 -3.33 0.00 0.00 175.10 172.93 1hfd s LEU 46 N 0.59 4.22 -0.01 2.54 2.96 -0.70 0.52 118.68 128.81 1hfd s LEU 46 Ca -0.07 1.74 0.08 0.00 -0.22 0.00 0.00 54.13 55.66 1hfd s LEU 46 Cb -0.11 -3.55 -0.12 0.00 0.50 0.00 0.00 46.19 42.91 1hfd s LEU 46 CO -0.00 -0.68 0.21 1.33 -1.32 0.00 0.00 176.35 175.89 1hfd n VAL 47 N 5.02 0.00 -4.06 1.68 0.24 -0.65 -1.81 118.33 118.75 1hfd n VAL 47 Ca 0.12 -0.21 -0.11 0.00 -2.04 0.00 0.00 64.34 62.11 1hfd n VAL 47 Cb 0.45 0.41 -0.06 0.00 -1.47 0.00 0.00 33.84 33.17 1hfd n VAL 47 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1hfd s ALA 48 N -2.47 0.24 0.47 2.33 0.00 -1.14 -4.65 121.76 116.53 1hfd s ALA 48 Ca -0.02 -1.17 0.14 0.00 0.00 0.00 0.00 51.96 50.91 1hfd s ALA 48 Cb 0.05 1.16 1.08 0.00 0.00 0.00 0.00 23.12 25.41 1hfd s ALA 48 CO 0.35 -0.78 2.07 0.93 0.00 0.00 0.00 175.76 178.32 1hfd h GLU 49 N 2.32 0.10 -0.07 0.00 5.08 -1.96 -2.99 114.58 117.07 1hfd h GLU 49 Ca -0.29 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1hfd h GLU 49 Cb 1.25 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1hfd h GLU 49 CO 0.40 0.14 0.00 0.94 -1.00 0.00 0.00 179.01 179.49 1hfd n GLN 50 N -4.44 2.94 -4.74 2.33 7.27 -1.26 -1.03 117.38 118.44 1hfd n GLN 50 Ca -0.02 -1.64 -0.25 0.00 0.07 0.00 0.00 57.00 55.16 1hfd n GLN 50 Cb 0.15 -1.07 -0.16 0.00 2.41 0.00 0.00 30.24 31.57 1hfd n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1hfd s TRP 51 N -1.05 1.60 -0.09 3.69 0.52 -1.13 -0.30 118.94 122.18 1hfd s TRP 51 Ca 0.06 -0.50 0.04 0.00 0.02 0.00 0.00 56.10 55.72 1hfd s TRP 51 Cb 0.03 -1.10 -0.00 0.00 -1.15 0.00 0.00 33.47 31.25 1hfd s TRP 51 CO 0.03 -0.20 -0.23 0.08 0.02 0.00 0.00 176.95 176.66 1hfd s VAL 52 N 0.22 1.96 -0.11 4.03 1.01 -0.46 -1.63 120.40 125.42 1hfd s VAL 52 Ca -0.07 -0.97 -0.14 0.00 0.00 0.00 0.00 61.98 60.80 1hfd s VAL 52 Cb -0.12 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.51 1hfd s VAL 52 CO 0.03 0.54 0.32 -0.22 0.00 0.00 0.00 175.10 175.77 1hfd s LEU 53 N 0.28 4.32 0.00 3.92 2.96 0.19 -0.85 118.68 129.50 1hfd s LEU 53 Ca -0.16 0.64 0.00 0.00 -0.22 0.00 0.00 54.13 54.40 1hfd s LEU 53 Cb -0.17 -2.42 0.00 0.00 0.50 0.00 0.00 46.19 44.10 1hfd s LEU 53 CO 0.08 0.18 0.00 -0.24 -1.32 0.00 0.00 176.35 175.05 1hfd n SER 54 N 2.96 0.00 -4.56 3.68 2.88 -0.06 -0.03 113.62 118.49 1hfd n SER 54 Ca -0.13 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.08 1hfd n SER 54 Cb 0.52 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.87 1hfd n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1hfd s ALA 55 N -1.73 2.90 0.18 -1.46 0.00 -1.26 -1.26 121.76 119.13 1hfd s ALA 55 Ca 0.00 -0.91 -0.13 0.00 0.00 0.00 0.00 51.96 50.91 1hfd s ALA 55 Cb 0.00 -1.16 0.10 0.00 0.00 0.00 0.00 23.12 22.06 1hfd s ALA 55 CO 0.00 0.57 1.82 0.00 0.00 0.00 0.00 175.76 178.15 1hfd h ALA 56 N 5.26 0.69 0.00 0.00 0.00 -1.64 -2.62 119.26 120.94 1hfd h ALA 56 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1hfd h ALA 56 Cb 1.17 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1hfd h ALA 56 CO 0.52 0.04 0.00 0.72 0.00 0.00 0.00 179.25 180.53 1hfd n HIS 57 N -4.77 0.00 0.14 0.00 8.25 -1.26 -1.51 115.22 116.06 1hfd n HIS 57 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1hfd n HIS 57 Cb 0.07 -0.19 0.17 0.00 1.12 0.00 0.00 29.99 31.16 1hfd n HIS 57 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1hfd n LEU 59 N -3.62 0.60 0.25 0.00 7.94 -0.57 -2.68 117.00 118.92 1hfd n LEU 59 Ca -0.01 0.50 0.11 0.00 -1.11 0.00 0.00 56.01 55.51 1hfd n LEU 59 Cb 0.64 -0.34 0.66 0.00 0.53 0.00 0.00 43.42 44.90 1hfd n LEU 59 CO 0.41 -0.11 0.93 -0.33 -1.11 0.00 0.00 177.39 177.18 1hfd h GLU 60 N 0.00 0.00 -1.83 1.96 5.08 -1.55 -3.07 114.58 115.16 1hfd h GLU 60 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 1hfd h GLU 60 Cb 0.67 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.84 1hfd h GLU 60 CO 0.00 0.15 0.14 -0.25 -1.00 0.00 0.00 179.01 178.05 1hfd n ASP 61 N -3.69 5.88 0.00 1.42 8.00 -1.09 -4.93 116.55 122.13 1hfd n ASP 61 Ca -0.02 -2.76 0.00 0.00 0.71 0.00 0.00 54.79 52.73 1hfd n ASP 61 Cb 0.27 -1.17 0.00 0.00 -0.02 0.00 0.00 41.12 40.20 1hfd n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hfd n ALA 61 N 1.18 0.00 -3.72 2.24 0.00 -1.16 -4.93 120.51 114.11 1hfd n ALA 61 Ca 0.24 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.34 1hfd n ALA 61 Cb 0.60 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.91 1hfd n ALA 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1hfd s ASP 61 N 0.00 4.72 0.00 0.00 1.01 -1.26 -5.03 116.67 116.10 1hfd s ASP 61 Ca 0.00 -1.22 0.00 0.00 0.71 0.00 0.00 52.55 52.04 1hfd s ASP 61 Cb 0.00 -1.68 0.00 0.00 1.01 0.00 0.00 42.92 42.25 1hfd s ASP 61 CO 0.00 -0.22 0.00 0.61 0.21 0.00 0.00 175.17 175.77 1hfd n GLY 62 N 4.60 3.54 3.72 0.21 0.00 -1.26 -5.02 105.19 110.97 1hfd n GLY 62 Ca -0.14 -1.34 -0.38 0.00 0.00 0.00 0.00 46.02 44.16 1hfd n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1hfd s LYS 63 N -2.41 4.31 -0.22 1.61 2.20 -1.26 -4.94 119.74 119.04 1hfd s LYS 63 Ca 0.00 0.38 -0.12 0.00 -0.36 0.00 0.00 55.97 55.87 1hfd s LYS 63 Cb 0.00 -3.45 -0.05 0.00 -1.51 0.00 0.00 37.83 32.82 1hfd s LYS 63 CO 0.00 0.14 0.21 0.08 -0.36 0.00 0.00 175.35 175.42 1hfd s VAL 64 N 0.70 5.34 0.17 4.02 1.01 -1.26 -2.17 120.40 128.21 1hfd s VAL 64 Ca 0.24 0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.55 1hfd s VAL 64 Cb -0.15 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 1hfd s VAL 64 CO 0.09 0.35 0.01 -1.10 0.00 0.00 0.00 175.10 174.45 1hfd s GLN 65 N 0.89 1.10 -0.03 2.72 -0.21 -0.83 -3.20 119.66 120.09 1hfd s GLN 65 Ca 0.11 -1.53 0.02 0.00 0.02 0.00 0.00 55.36 53.98 1hfd s GLN 65 Cb -0.13 -0.22 0.01 0.00 1.00 0.00 0.00 33.01 33.66 1hfd s GLN 65 CO 0.04 -0.14 -0.08 0.54 -2.12 0.00 0.00 175.29 173.52 1hfd s VAL 66 N -3.69 0.76 -0.24 1.09 0.11 -0.28 -0.02 120.40 118.13 1hfd s VAL 66 Ca 0.24 -0.33 -0.09 0.00 -2.93 0.00 0.00 61.98 58.87 1hfd s VAL 66 Cb 0.06 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 34.18 1hfd s VAL 66 CO 0.04 0.25 0.13 -0.22 -3.33 0.00 0.00 175.10 171.97 1hfd s LEU 67 N 0.32 3.89 0.25 2.54 2.96 0.24 -0.38 118.68 128.51 1hfd s LEU 67 Ca -0.05 0.01 0.11 0.00 -0.22 0.00 0.00 54.13 53.98 1hfd s LEU 67 Cb -0.10 -2.04 -0.05 0.00 0.50 0.00 0.00 46.19 44.50 1hfd s LEU 67 CO 0.01 0.03 -0.19 -0.76 -1.32 0.00 0.00 176.35 174.12 1hfd s LEU 68 N 1.23 2.56 -0.24 -0.68 1.43 -0.66 -1.16 118.68 121.16 1hfd s LEU 68 Ca 0.06 -1.01 0.00 0.00 -1.03 0.00 0.00 54.13 52.16 1hfd s LEU 68 Cb -0.14 -1.02 0.00 0.00 0.03 0.00 0.00 46.19 45.06 1hfd s LEU 68 CO 0.05 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.25 1hfd n GLY 69 N -0.45 0.49 3.98 -3.19 0.00 -1.25 -1.37 105.19 103.40 1hfd n GLY 69 Ca -0.07 -0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 1hfd n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hfd s ALA 70 N -1.78 4.07 0.10 4.61 0.00 -1.26 -3.30 121.76 124.20 1hfd s ALA 70 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.64 1hfd s ALA 70 Cb 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 21.32 1hfd s ALA 70 CO 0.00 -0.06 0.00 1.58 0.00 0.00 0.00 175.76 177.28 1hfd n HIS 71 N -1.70 -0.79 -3.86 0.00 -0.00 -1.26 -4.72 115.22 102.89 1hfd n HIS 71 Ca -0.01 0.14 -0.36 0.00 0.46 0.00 0.00 57.72 57.95 1hfd n HIS 71 Cb 0.58 0.39 -0.07 0.00 -0.12 0.00 0.00 29.99 30.76 1hfd n HIS 71 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1hfd s SER 72 N -5.12 6.21 0.45 0.26 0.15 -1.26 -1.04 113.70 113.35 1hfd s SER 72 Ca 0.00 0.33 0.25 0.00 0.70 0.00 0.00 55.95 57.23 1hfd s SER 72 Cb 0.00 -2.04 0.56 0.00 -1.71 0.00 0.00 66.02 62.83 1hfd s SER 72 CO 0.00 0.30 1.69 -0.07 1.20 0.00 0.00 173.24 176.36 1hfd h LEU 73 N 5.75 0.00 0.00 3.45 3.38 0.17 -3.37 115.31 124.70 1hfd h LEU 73 Ca -0.48 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.35 1hfd h LEU 73 Cb 1.19 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 1hfd h LEU 73 CO 0.66 0.04 -1.86 -1.54 0.09 0.00 0.00 178.44 175.83 1hfd n SER 74 N -3.12 1.41 -4.88 -0.43 3.41 -1.26 -5.02 113.62 103.73 1hfd n SER 74 Ca 0.03 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.31 1hfd n SER 74 Cb 0.49 1.28 -0.05 0.00 -0.26 0.00 0.00 64.21 65.67 1hfd n SER 74 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1hfd s GLN 75 N -2.72 3.70 0.27 4.33 -0.21 -1.26 -5.05 119.66 118.72 1hfd s GLN 75 Ca -0.06 0.08 -0.30 0.00 0.02 0.00 0.00 55.36 55.09 1hfd s GLN 75 Cb 0.07 -2.93 -0.10 0.00 1.00 0.00 0.00 33.01 31.05 1hfd s GLN 75 CO 0.62 0.52 1.44 -2.14 -2.12 0.00 0.00 175.29 173.61 1hfd s PRO 76 N -2.21 4.26 -0.08 2.91 0.02 -1.26 -4.80 135.00 133.83 1hfd s PRO 76 Ca 0.36 2.33 -0.04 0.00 0.02 0.00 0.00 61.00 63.67 1hfd s PRO 76 Cb -0.13 -3.09 0.03 0.00 0.02 0.00 0.00 34.50 31.33 1hfd s PRO 76 CO 0.20 -0.42 0.18 -1.21 -0.33 0.00 0.00 177.00 175.43 1hfd s GLU 77 N -0.62 0.15 0.31 5.54 2.02 -1.26 -5.06 118.70 119.78 1hfd s GLU 77 Ca 0.58 0.38 0.07 0.00 0.02 0.00 0.00 54.97 56.02 1hfd s GLU 77 Cb -0.42 -0.09 0.81 0.00 0.10 0.00 0.00 34.13 34.53 1hfd s GLU 77 CO 0.46 -0.13 1.74 -1.35 0.02 0.00 0.00 175.26 176.00 1hfd h PRO 78 N 6.86 0.60 0.00 0.39 0.11 -1.96 -0.55 132.00 137.46 1hfd h PRO 78 Ca -0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1hfd h PRO 78 Cb 1.16 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1hfd h PRO 78 CO 0.40 0.40 -0.11 -1.13 -0.21 0.00 0.00 178.00 177.36 1hfd n SER 79 N -4.86 0.70 -4.76 -2.05 3.41 -1.26 -4.89 113.62 99.90 1hfd n SER 79 Ca 0.25 0.48 -0.41 0.00 -0.26 0.00 0.00 58.87 58.93 1hfd n SER 79 Cb 0.67 -0.59 -0.01 0.00 -0.26 0.00 0.00 64.21 64.01 1hfd n SER 79 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1hfd s LYS 80 N -3.10 4.22 -0.20 4.33 2.20 -0.22 -4.26 119.74 122.72 1hfd s LYS 80 Ca 0.10 2.41 -0.13 0.00 -0.36 0.00 0.00 55.97 58.00 1hfd s LYS 80 Cb 0.13 -3.04 0.06 0.00 -1.51 0.00 0.00 37.83 33.47 1hfd s LYS 80 CO 0.61 -0.43 0.49 0.50 -0.36 0.00 0.00 175.35 176.16 1hfd s ARG 81 N -1.33 0.50 -0.20 4.03 3.00 -0.47 -4.95 118.95 119.53 1hfd s ARG 81 Ca 0.55 0.85 -0.10 0.00 -1.00 0.00 0.00 55.73 56.03 1hfd s ARG 81 Cb -0.44 0.08 -0.05 0.00 0.00 0.00 0.00 34.95 34.55 1hfd s ARG 81 CO 0.53 -0.13 0.14 -0.51 0.00 0.00 0.00 175.30 175.33 1hfd s LEU 82 N 1.17 4.20 -0.01 -0.88 1.43 -1.26 -1.66 118.68 121.67 1hfd s LEU 82 Ca -0.07 0.23 0.04 0.00 -1.03 0.00 0.00 54.13 53.30 1hfd s LEU 82 Cb -0.07 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 1hfd s LEU 82 CO -0.11 0.16 -0.11 -0.31 0.23 0.00 0.00 176.35 176.21 1hfd s TYR 83 N 0.45 2.77 0.58 0.29 2.02 0.49 -4.95 117.35 119.01 1hfd s TYR 83 Ca 0.08 -0.11 -0.06 0.00 -0.37 0.00 0.00 57.07 56.62 1hfd s TYR 83 Cb -0.11 -1.60 0.00 0.00 -0.40 0.00 0.00 41.96 39.85 1hfd s TYR 83 CO -0.01 0.29 0.88 -0.51 -1.57 0.00 0.00 175.55 174.63 1hfd s ASP 84 N -1.14 5.66 -0.23 2.29 1.01 -1.26 -1.12 116.67 121.87 1hfd s ASP 84 Ca 0.14 0.72 -0.07 0.00 0.71 0.00 0.00 52.55 54.05 1hfd s ASP 84 Cb -0.11 -1.74 -0.03 0.00 1.01 0.00 0.00 42.92 42.05 1hfd s ASP 84 CO 0.04 -1.01 0.05 -0.69 0.21 0.00 0.00 175.17 173.78 1hfd s VAL 85 N -2.95 4.29 -0.05 -1.27 1.01 -1.19 -0.46 120.40 119.78 1hfd s VAL 85 Ca 0.53 -0.19 -0.25 0.00 0.00 0.00 0.00 61.98 62.07 1hfd s VAL 85 Cb -0.10 -2.98 -0.22 0.00 0.00 0.00 0.00 36.38 33.07 1hfd s VAL 85 CO 0.45 0.37 1.08 0.25 0.00 0.00 0.00 175.10 177.25 1hfd h LEU 86 N 7.92 0.14 -7.59 3.92 5.85 -0.54 -3.45 115.31 121.55 1hfd h LEU 86 Ca -0.38 -0.70 -0.11 0.00 0.84 0.00 0.00 57.88 57.54 1hfd h LEU 86 Cb 1.17 -0.04 -0.18 0.00 0.37 0.00 0.00 40.66 41.98 1hfd h LEU 86 CO 0.60 0.82 -0.30 0.00 -0.34 0.00 0.00 178.44 179.22 1hfd s ARG 87 N -3.41 0.74 -0.16 1.25 1.70 -1.23 -5.01 118.95 112.83 1hfd s ARG 87 Ca -0.16 -0.45 0.01 0.00 -0.47 0.00 0.00 55.73 54.66 1hfd s ARG 87 Cb 0.01 0.32 0.02 0.00 -0.57 0.00 0.00 34.95 34.72 1hfd s ARG 87 CO 0.71 -0.22 -0.19 0.00 -1.08 0.00 0.00 175.30 174.52 1hfd s ALA 88 N -2.21 2.19 -0.42 7.88 0.00 -1.26 -1.57 121.76 126.37 1hfd s ALA 88 Ca -0.08 -1.10 -0.01 0.00 0.00 0.00 0.00 51.96 50.78 1hfd s ALA 88 Cb -0.02 -1.09 0.11 0.00 0.00 0.00 0.00 23.12 22.12 1hfd s ALA 88 CO -0.01 -0.25 0.19 0.08 0.00 0.00 0.00 175.76 175.76 1hfd s VAL 89 N 1.18 3.02 0.36 0.00 1.01 0.58 -4.97 120.40 121.59 1hfd s VAL 89 Ca 0.01 -2.29 -0.23 0.00 0.00 0.00 0.00 61.98 59.47 1hfd s VAL 89 Cb -0.14 -3.10 -0.10 0.00 0.00 0.00 0.00 36.38 33.04 1hfd s VAL 89 CO -0.09 -0.69 0.92 -2.16 0.00 0.00 0.00 175.10 173.08 1hfd s PRO 90 N 0.88 4.36 0.32 2.72 0.04 -1.26 -0.95 135.00 141.11 1hfd s PRO 90 Ca 0.10 1.15 -0.29 0.00 0.04 0.00 0.00 61.00 62.01 1hfd s PRO 90 Cb -0.22 -2.50 -0.12 0.00 0.04 0.00 0.00 34.50 31.70 1hfd s PRO 90 CO -0.05 0.14 1.42 1.58 0.04 0.00 0.00 177.00 180.13 1hfd n HIS 91 N -0.04 2.53 0.28 0.56 -0.00 -0.69 -4.88 115.22 112.98 1hfd n HIS 91 Ca 0.04 0.45 0.13 0.00 0.46 0.00 0.00 57.72 58.79 1hfd n HIS 91 Cb 0.52 -2.49 0.82 0.00 -0.12 0.00 0.00 29.99 28.72 1hfd n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1hfd h PRO 92 N 3.42 0.00 -0.56 1.57 0.13 -1.93 -2.84 132.00 131.80 1hfd h PRO 92 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1hfd h PRO 92 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1hfd h PRO 92 CO 0.69 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.21 1hfd n ASP 93 N -4.10 3.03 -4.76 1.44 8.00 -1.26 -4.95 116.55 113.96 1hfd n ASP 93 Ca -0.03 -2.03 -0.40 0.00 0.71 0.00 0.00 54.79 53.04 1hfd n ASP 93 Cb 0.09 -0.38 -0.06 0.00 -0.02 0.00 0.00 41.12 40.75 1hfd n ASP 93 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1hfd s SER 94 N -0.98 7.57 -0.02 -2.24 1.04 -1.07 -4.84 113.70 113.16 1hfd s SER 94 Ca 0.37 1.86 0.06 0.00 0.48 0.00 0.00 55.95 58.73 1hfd s SER 94 Cb 0.20 -2.58 -0.02 0.00 0.10 0.00 0.00 66.02 63.72 1hfd s SER 94 CO 0.24 0.17 -0.20 -1.10 0.98 0.00 0.00 173.24 173.33 1hfd s GLN 95 N -1.19 1.66 0.00 4.02 -0.21 -1.26 -5.00 119.66 117.68 1hfd s GLN 95 Ca 0.40 -0.73 0.04 0.00 0.02 0.00 0.00 55.36 55.09 1hfd s GLN 95 Cb -0.25 -1.60 0.23 0.00 1.00 0.00 0.00 33.01 32.38 1hfd s GLN 95 CO 0.30 0.44 0.57 -0.35 -2.12 0.00 0.00 175.29 174.13 1hfd n PRO 96 N 2.59 0.22 -0.81 2.91 -0.04 -1.26 -1.95 135.00 136.66 1hfd n PRO 96 Ca -0.15 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.35 1hfd n PRO 96 Cb 0.53 -1.27 0.09 0.00 -0.04 0.00 0.00 33.50 32.81 1hfd n PRO 96 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1hfd n ASP 97 N -0.77 1.20 -3.91 3.54 5.68 -1.26 -5.09 116.55 115.95 1hfd n ASP 97 Ca 0.03 -2.69 -0.08 0.00 -0.50 0.00 0.00 54.79 51.54 1hfd n ASP 97 Cb 0.01 -0.36 -0.04 0.00 -1.14 0.00 0.00 41.12 39.59 1hfd n ASP 97 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1hfd s THR 98 N -1.34 0.00 -1.50 2.12 -4.23 -0.82 -5.05 115.64 104.82 1hfd s THR 98 Ca 0.28 -1.16 0.16 0.00 -1.18 0.00 0.00 61.69 59.79 1hfd s THR 98 Cb 0.28 -2.03 0.43 0.00 1.34 0.00 0.00 72.50 72.53 1hfd s THR 98 CO -0.07 -0.02 1.35 2.30 -0.54 0.00 0.00 174.62 177.64 1hfd n ILE 99 N -0.40 0.89 -3.36 2.99 -5.35 -1.26 -4.73 119.36 108.14 1hfd n ILE 99 Ca -0.04 -0.94 -0.35 0.00 -0.27 0.00 0.00 62.75 61.15 1hfd n ILE 99 Cb 0.61 0.59 -0.06 0.00 -1.74 0.00 0.00 39.64 39.05 1hfd n ILE 99 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1hfd s ASP 100 N -1.05 6.81 -1.50 7.28 1.01 -1.26 -4.17 116.67 123.78 1hfd s ASP 100 Ca 0.34 1.07 -0.09 0.00 0.71 0.00 0.00 52.55 54.57 1hfd s ASP 100 Cb 0.18 -2.28 0.07 0.00 1.01 0.00 0.00 42.92 41.89 1hfd s ASP 100 CO 0.24 0.09 0.74 1.41 0.21 0.00 0.00 175.17 177.86 1hfd n HIS 101 N 0.73 -1.93 -1.87 4.23 8.25 -1.26 -4.47 115.22 118.89 1hfd n HIS 101 Ca -0.05 0.83 -0.40 0.00 -0.26 0.00 0.00 57.72 57.84 1hfd n HIS 101 Cb 0.52 -3.74 -0.01 0.00 1.12 0.00 0.00 29.99 27.88 1hfd n HIS 101 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1hfd n ASP 102 N -2.87 7.33 -4.26 0.41 2.03 -1.26 -4.33 116.55 113.60 1hfd n ASP 102 Ca -0.10 -2.97 -0.21 0.00 0.52 0.00 0.00 54.79 52.02 1hfd n ASP 102 Cb 0.59 -1.46 -0.12 0.00 -0.72 0.00 0.00 41.12 39.41 1hfd n ASP 102 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1hfd s LEU 103 N -0.85 2.33 -0.07 -2.67 1.43 -1.26 -3.65 118.68 113.95 1hfd s LEU 103 Ca 0.55 -0.72 -0.08 0.00 -1.03 0.00 0.00 54.13 52.85 1hfd s LEU 103 Cb 0.16 -0.74 0.02 0.00 0.03 0.00 0.00 46.19 45.67 1hfd s LEU 103 CO -0.07 -0.02 0.22 -0.22 0.23 0.00 0.00 176.35 176.49 1hfd s LEU 104 N -2.08 1.19 -0.10 1.79 2.96 -0.39 -1.70 118.68 120.35 1hfd s LEU 104 Ca 0.06 0.34 0.04 0.00 -0.22 0.00 0.00 54.13 54.35 1hfd s LEU 104 Cb -0.08 0.78 -0.00 0.00 0.50 0.00 0.00 46.19 47.38 1hfd s LEU 104 CO 0.04 -0.14 -0.23 -0.76 -1.32 0.00 0.00 176.35 173.94 1hfd s LEU 105 N -0.16 2.14 -0.15 -0.68 1.43 -0.13 -0.88 118.68 120.26 1hfd s LEU 105 Ca -0.03 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 1hfd s LEU 105 Cb -0.03 -1.43 -0.01 0.00 0.03 0.00 0.00 46.19 44.76 1hfd s LEU 105 CO 0.01 0.17 -0.14 -0.76 0.23 0.00 0.00 176.35 175.85 1hfd s LEU 106 N 0.31 2.57 -0.21 1.79 1.43 -0.03 -0.31 118.68 124.24 1hfd s LEU 106 Ca -0.17 -0.42 -0.17 0.00 -1.03 0.00 0.00 54.13 52.33 1hfd s LEU 106 Cb -0.18 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 1hfd s LEU 106 CO 0.08 0.11 0.47 -1.58 0.23 0.00 0.00 176.35 175.66 1hfd s GLN 107 N 0.67 4.17 0.49 1.70 0.74 -0.61 -1.35 119.66 125.47 1hfd s GLN 107 Ca -0.07 0.31 -0.20 0.00 0.05 0.00 0.00 55.36 55.45 1hfd s GLN 107 Cb -0.16 -3.56 -0.08 0.00 1.10 0.00 0.00 33.01 30.31 1hfd s GLN 107 CO 0.02 -0.13 1.04 -0.51 -0.55 0.00 0.00 175.29 175.16 1hfd s LEU 108 N 1.58 3.83 0.61 3.68 1.43 0.58 0.12 118.68 130.52 1hfd s LEU 108 Ca 0.22 1.91 0.30 0.00 -1.03 0.00 0.00 54.13 55.52 1hfd s LEU 108 Cb -0.15 -4.56 1.60 0.00 0.03 0.00 0.00 46.19 43.11 1hfd s LEU 108 CO 0.09 -0.79 1.97 0.77 0.23 0.00 0.00 176.35 178.62 1hfd h SER 109 N 1.50 0.00 -5.05 2.29 4.64 -1.07 -3.41 113.55 112.44 1hfd h SER 109 Ca -0.49 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.79 1hfd h SER 109 Cb 1.22 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.19 1hfd h SER 109 CO 0.59 0.00 0.05 -1.83 -0.87 0.00 0.00 176.83 174.76 1hfd s GLU 110 N -4.46 1.22 0.28 4.77 -1.05 -1.26 -4.96 118.70 113.24 1hfd s GLU 110 Ca -0.04 -0.67 -0.30 0.00 -0.15 0.00 0.00 54.97 53.81 1hfd s GLU 110 Cb 0.13 0.52 -0.11 0.00 -0.44 0.00 0.00 34.13 34.24 1hfd s GLU 110 CO 0.47 -0.51 1.51 0.15 0.95 0.00 0.00 175.26 177.83 1hfd s LYS 111 N -3.80 4.19 0.23 -4.83 1.02 -1.26 -4.79 119.74 110.49 1hfd s LYS 111 Ca 0.04 2.45 -0.30 0.00 0.02 0.00 0.00 55.97 58.19 1hfd s LYS 111 Cb 0.00 -3.05 -0.09 0.00 -0.52 0.00 0.00 37.83 34.17 1hfd s LYS 111 CO -0.10 -0.52 1.29 0.00 -0.92 0.00 0.00 175.35 175.09 1hfd s ALA 112 N -0.15 3.51 -0.20 5.17 0.00 -0.20 -4.95 121.76 124.94 1hfd s ALA 112 Ca 0.60 1.11 -0.29 0.00 0.00 0.00 0.00 51.96 53.38 1hfd s ALA 112 Cb -0.45 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.18 1hfd s ALA 112 CO 0.48 -0.51 1.56 0.99 0.00 0.00 0.00 175.76 178.27 1hfd s THR 113 N -0.23 3.78 0.23 0.00 2.01 -1.26 -4.97 115.64 115.19 1hfd s THR 113 Ca 0.54 0.89 -0.13 0.00 0.31 0.00 0.00 61.69 63.31 1hfd s THR 113 Cb -0.36 -3.74 -0.08 0.00 0.01 0.00 0.00 72.50 68.33 1hfd s THR 113 CO 0.41 -0.26 0.60 -0.76 -0.69 0.00 0.00 174.62 173.93 1hfd s LEU 114 N 4.77 4.20 0.00 4.42 1.43 -1.26 -4.82 118.68 127.42 1hfd s LEU 114 Ca 0.69 1.08 0.00 0.00 -1.03 0.00 0.00 54.13 54.86 1hfd s LEU 114 Cb -0.25 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.32 1hfd s LEU 114 CO 0.27 -0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.41 1hfd n GLY 115 N 0.13 1.56 0.27 -3.19 0.00 -0.44 -4.96 105.19 98.56 1hfd n GLY 115 Ca -0.01 -0.90 0.15 0.00 0.00 0.00 0.00 46.02 45.26 1hfd n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hfd h PRO 118 N 0.00 0.00 -0.02 1.61 0.13 -1.98 -2.68 132.00 129.05 1hfd h PRO 118 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1hfd h PRO 118 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1hfd h PRO 118 CO 0.00 0.09 -0.13 0.00 -0.23 0.00 0.00 178.00 177.73 1hfd n ALA 119 N -2.20 2.76 -3.49 -0.56 0.00 -1.26 -4.70 120.51 111.05 1hfd n ALA 119 Ca -0.01 -0.67 -0.20 0.00 0.00 0.00 0.00 53.44 52.56 1hfd n ALA 119 Cb 0.26 -0.77 -0.13 0.00 0.00 0.00 0.00 19.45 18.81 1hfd n ALA 119 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1hfd s VAL 120 N -2.05 -0.29 -0.23 0.00 1.01 -1.01 -3.89 120.40 113.94 1hfd s VAL 120 Ca 0.24 -0.24 -0.20 0.00 0.00 0.00 0.00 61.98 61.79 1hfd s VAL 120 Cb 0.19 -0.75 0.06 0.00 0.00 0.00 0.00 36.38 35.88 1hfd s VAL 120 CO 0.36 -0.30 0.60 -0.60 0.00 0.00 0.00 175.10 175.16 1hfd s ARG 121 N 2.29 0.68 0.76 2.72 6.06 -1.07 -1.33 118.95 129.07 1hfd s ARG 121 Ca 0.07 0.88 -0.14 0.00 -2.50 0.00 0.00 55.73 54.04 1hfd s ARG 121 Cb -0.15 0.30 0.06 0.00 0.06 0.00 0.00 34.95 35.21 1hfd s ARG 121 CO -0.17 -0.10 1.17 -2.14 -2.50 0.00 0.00 175.30 171.56 1hfd s PRO 122 N 0.53 2.03 -0.17 5.12 0.02 -1.26 -2.96 135.00 138.31 1hfd s PRO 122 Ca -0.02 1.62 -0.03 0.00 0.02 0.00 0.00 61.00 62.59 1hfd s PRO 122 Cb -0.05 -1.83 -0.02 0.00 0.02 0.00 0.00 34.50 32.62 1hfd s PRO 122 CO -0.02 -1.89 -0.05 -1.17 -0.33 0.00 0.00 177.00 173.54 1hfd s LEU 123 N -5.45 3.09 0.29 -5.54 2.96 -0.75 -4.88 118.68 108.40 1hfd s LEU 123 Ca 0.71 -0.23 -0.30 0.00 -0.22 0.00 0.00 54.13 54.09 1hfd s LEU 123 Cb -0.26 -1.75 -0.12 0.00 0.50 0.00 0.00 46.19 44.56 1hfd s LEU 123 CO 0.48 0.11 1.50 -2.65 -1.32 0.00 0.00 176.35 174.47 1hfd n PRO 124 N 3.92 2.45 -4.32 0.98 -0.02 -1.26 -4.72 135.00 132.04 1hfd n PRO 124 Ca -0.18 0.87 -0.25 0.00 -2.02 0.00 0.00 63.50 61.92 1hfd n PRO 124 Cb 0.52 -2.59 -0.09 0.00 -0.02 0.00 0.00 33.50 31.33 1hfd n PRO 124 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1hfd s TRP 124 N -0.27 2.60 -0.05 6.00 1.48 -1.26 -1.34 118.94 126.10 1hfd s TRP 124 Ca 0.63 -0.24 -0.30 0.00 -1.06 0.00 0.00 56.10 55.13 1hfd s TRP 124 Cb -0.54 -1.22 -0.05 0.00 -1.16 0.00 0.00 33.47 30.50 1hfd s TRP 124 CO 0.52 0.57 1.47 -1.14 -4.06 0.00 0.00 176.95 174.31 1hfd s GLN 125 N -3.18 4.23 -0.01 3.25 2.00 -0.67 -4.87 119.66 120.41 1hfd s GLN 125 Ca 0.27 1.99 0.13 0.00 -2.00 0.00 0.00 55.36 55.76 1hfd s GLN 125 Cb -0.08 -3.76 -0.19 0.00 0.80 0.00 0.00 33.01 29.79 1hfd s GLN 125 CO 0.17 -0.71 0.37 0.54 -0.50 0.00 0.00 175.29 175.16 1hfd n ARG 126 N 6.27 1.13 -2.98 1.67 1.74 -1.26 -2.96 116.66 120.27 1hfd n ARG 126 Ca 0.15 -0.08 -0.40 0.00 -0.77 0.00 0.00 57.85 56.74 1hfd n ARG 126 Cb 0.43 -1.25 -0.04 0.00 -1.02 0.00 0.00 32.46 30.58 1hfd n ARG 126 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1hfd s VAL 127 N -2.71 5.01 -1.26 1.55 -7.23 -1.26 -4.91 120.40 109.59 1hfd s VAL 127 Ca -0.02 1.56 -0.17 0.00 -1.81 0.00 0.00 61.98 61.55 1hfd s VAL 127 Cb 0.09 -4.10 0.10 0.00 0.56 0.00 0.00 36.38 33.04 1hfd s VAL 127 CO 0.55 0.23 1.62 -0.62 -0.31 0.00 0.00 175.10 176.57 1hfd s ASP 128 N 0.84 6.91 -0.01 4.85 -1.08 -1.26 -4.81 116.67 122.11 1hfd s ASP 128 Ca 0.40 -2.61 -0.00 0.00 -0.52 0.00 0.00 52.55 49.82 1hfd s ASP 128 Cb -0.18 -2.52 0.02 0.00 -1.46 0.00 0.00 42.92 38.78 1hfd s ASP 128 CO 0.20 -1.03 0.02 -0.60 0.52 0.00 0.00 175.17 174.28 1hfd s ARG 129 N 3.32 -0.02 0.31 4.34 3.52 -1.26 -5.09 118.95 124.08 1hfd s ARG 129 Ca 0.50 0.12 -0.29 0.00 -0.13 0.00 0.00 55.73 55.93 1hfd s ARG 129 Cb 0.01 -0.14 -0.10 0.00 -1.56 0.00 0.00 34.95 33.16 1hfd s ARG 129 CO 0.05 -0.10 1.23 -0.51 -0.81 0.00 0.00 175.30 175.16 1hfd s ASP 129 N 0.63 6.96 0.33 -2.12 1.11 -1.26 -4.98 116.67 117.34 1hfd s ASP 129 Ca -0.05 2.53 -0.29 0.00 0.18 0.00 0.00 52.55 54.92 1hfd s ASP 129 Cb -0.08 -2.64 -0.10 0.00 1.07 0.00 0.00 42.92 41.17 1hfd s ASP 129 CO -0.02 -0.39 1.34 -0.69 1.18 0.00 0.00 175.17 176.59 1hfd s VAL 130 N -1.13 2.65 0.38 -1.27 1.01 -1.26 -4.93 120.40 115.86 1hfd s VAL 130 Ca 0.47 0.65 -0.27 0.00 0.00 0.00 0.00 61.98 62.83 1hfd s VAL 130 Cb -0.37 -3.41 -0.10 0.00 0.00 0.00 0.00 36.38 32.51 1hfd s VAL 130 CO 0.48 0.15 1.34 0.00 0.00 0.00 0.00 175.10 177.08 1hfd s ALA 131 N -1.02 3.38 0.48 5.51 0.00 -1.26 -4.93 121.76 123.91 1hfd s ALA 131 Ca 0.50 1.32 -0.23 0.00 0.00 0.00 0.00 51.96 53.55 1hfd s ALA 131 Cb -0.41 -3.51 -0.07 0.00 0.00 0.00 0.00 23.12 19.13 1hfd s ALA 131 CO 0.53 -0.84 1.29 -1.25 0.00 0.00 0.00 175.76 175.49 1hfd s PRO 132 N -2.10 3.55 0.00 0.00 0.04 -1.26 -2.57 135.00 132.67 1hfd s PRO 132 Ca 0.54 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.66 1hfd s PRO 132 Cb -0.40 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 31.70 1hfd s PRO 132 CO 0.53 -0.81 0.00 0.41 0.04 0.00 0.00 177.00 177.17 1hfd n GLY 133 N 0.61 3.15 3.75 0.56 0.00 0.35 -4.92 105.19 108.69 1hfd n GLY 133 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1hfd n GLY 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1hfd n THR 134 N -2.00 1.64 -3.44 2.61 -1.04 -1.06 -4.52 114.28 106.47 1hfd n THR 134 Ca 0.00 -0.41 -0.38 0.00 -2.04 0.00 0.00 64.05 61.22 1hfd n THR 134 Cb 0.00 -1.91 -0.08 0.00 -1.82 0.00 0.00 70.33 66.52 1hfd n THR 134 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1hfd s LEU 135 N -1.35 4.13 0.21 -4.42 1.43 -1.26 -0.56 118.68 116.86 1hfd s LEU 135 Ca 0.57 0.40 0.10 0.00 -1.03 0.00 0.00 54.13 54.18 1hfd s LEU 135 Cb -0.50 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.25 1hfd s LEU 135 CO 0.58 -0.07 -0.17 0.00 0.23 0.00 0.00 176.35 176.93 1hfd s ASP 137 N -2.92 6.05 0.03 0.00 2.15 0.87 0.48 116.67 123.32 1hfd s ASP 137 Ca 0.24 0.16 0.07 0.00 0.43 0.00 0.00 52.55 53.46 1hfd s ASP 137 Cb -0.08 -2.06 -0.02 0.00 -0.30 0.00 0.00 42.92 40.46 1hfd s ASP 137 CO 0.13 0.15 -0.20 0.54 -0.17 0.00 0.00 175.17 175.62 1hfd s VAL 138 N 0.54 1.60 0.05 1.11 0.11 -0.97 -0.58 120.40 122.26 1hfd s VAL 138 Ca 0.07 -1.08 -0.00 0.00 -2.93 0.00 0.00 61.98 58.03 1hfd s VAL 138 Cb -0.12 -1.37 -0.04 0.00 -1.53 0.00 0.00 36.38 33.32 1hfd s VAL 138 CO -0.00 0.26 -0.04 0.00 -3.33 0.00 0.00 175.10 171.99 1hfd s ALA 139 N -0.71 0.52 0.00 1.54 0.00 -1.25 -1.84 121.76 120.03 1hfd s ALA 139 Ca 0.07 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 50.89 1hfd s ALA 139 Cb -0.08 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.27 1hfd s ALA 139 CO 0.01 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.86 1hfd n GLY 140 N 0.31 0.79 1.13 0.00 0.00 -0.70 -4.55 105.19 102.16 1hfd n GLY 140 Ca -0.15 -0.90 0.07 0.00 0.00 0.00 0.00 46.02 45.04 1hfd n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1hfd n TRP 141 N -0.28 1.22 -1.04 1.61 8.01 -1.26 -2.07 117.44 123.63 1hfd n TRP 141 Ca 0.00 -0.93 -0.29 0.00 -1.31 0.00 0.00 57.50 54.97 1hfd n TRP 141 Cb 0.00 -0.38 0.22 0.00 -2.01 0.00 0.00 31.31 29.13 1hfd n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1hfd s GLY 142 N -1.75 1.56 0.61 6.99 0.00 -1.25 -4.28 107.32 109.21 1hfd s GLY 142 Ca 0.45 -0.63 -0.18 0.00 0.00 0.00 0.00 44.72 44.36 1hfd s GLY 142 CO 0.10 0.13 1.05 0.29 0.00 0.00 0.00 173.10 174.67 1hfd n ILE 143 N -4.57 4.02 0.29 0.90 -5.35 -0.24 -3.25 119.36 111.16 1hfd n ILE 143 Ca 0.09 -0.50 0.10 0.00 -0.27 0.00 0.00 62.75 62.16 1hfd n ILE 143 Cb 0.58 -1.24 -0.14 0.00 -1.74 0.00 0.00 39.64 37.10 1hfd n ILE 143 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 1hfd n VAL 144 N -1.77 0.00 -3.96 7.28 0.24 0.14 -1.81 118.33 118.45 1hfd n VAL 144 Ca 0.14 -0.32 -0.06 0.00 -2.04 0.00 0.00 64.34 62.06 1hfd n VAL 144 Cb 0.47 0.36 -0.02 0.00 -1.47 0.00 0.00 33.84 33.18 1hfd n VAL 144 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1hfd n ASN 145 N -1.95 -0.34 0.05 -1.34 0.23 -1.26 -4.54 115.26 106.11 1hfd n ASN 145 Ca -0.01 -1.74 0.13 0.00 -0.53 0.00 0.00 54.58 52.43 1hfd n ASN 145 Cb 0.44 0.72 0.48 0.00 -2.08 0.00 0.00 39.78 39.35 1hfd n ASN 145 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1hfd n HIS 146 N -0.22 0.44 0.68 -2.53 8.25 -1.26 -2.84 115.22 117.75 1hfd n HIS 146 Ca 0.02 0.13 0.13 0.00 -0.26 0.00 0.00 57.72 57.74 1hfd n HIS 146 Cb 0.21 -0.69 0.46 0.00 1.12 0.00 0.00 29.99 31.09 1hfd n HIS 146 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1hfd n ALA 147 N -1.64 2.21 -0.53 -1.41 0.00 -1.26 -4.90 120.51 112.98 1hfd n ALA 147 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1hfd n ALA 147 Cb 0.39 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1hfd n ALA 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hfd n GLY 149 N 1.18 1.05 3.75 0.00 0.00 -1.13 -5.05 105.19 104.99 1hfd n GLY 149 Ca 0.05 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 1hfd n GLY 149 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1hfd s ARG 150 N -1.33 4.55 -0.26 1.61 3.00 -1.26 -4.86 118.95 120.40 1hfd s ARG 150 Ca 0.00 1.85 -0.07 0.00 -1.00 0.00 0.00 55.73 56.51 1hfd s ARG 150 Cb 0.00 -3.22 -0.02 0.00 0.00 0.00 0.00 34.95 31.71 1hfd s ARG 150 CO 0.00 0.03 0.06 1.03 0.00 0.00 0.00 175.30 176.41 1hfd s ARG 151 N -0.72 3.49 0.73 5.12 0.52 -1.26 0.28 118.95 127.11 1hfd s ARG 151 Ca 0.49 -0.58 -0.13 0.00 -0.52 0.00 0.00 55.73 54.99 1hfd s ARG 151 Cb -0.32 -3.29 0.04 0.00 0.52 0.00 0.00 34.95 31.89 1hfd s ARG 151 CO 0.39 -0.25 1.13 -1.25 0.02 0.00 0.00 175.30 175.33 1hfd s PRO 152 N 1.57 2.32 -0.08 3.54 0.04 -1.26 -4.96 135.00 136.17 1hfd s PRO 152 Ca 0.06 1.42 0.15 0.00 0.04 0.00 0.00 61.00 62.66 1hfd s PRO 152 Cb -0.15 -1.89 -0.23 0.00 0.04 0.00 0.00 34.50 32.27 1hfd s PRO 152 CO 0.02 -1.63 0.51 -3.47 0.04 0.00 0.00 177.00 172.47 1hfd n ASP 153 N -2.99 0.62 -4.69 6.66 2.03 -1.26 -4.93 116.55 111.99 1hfd n ASP 153 Ca 0.11 0.29 -0.24 0.00 0.52 0.00 0.00 54.79 55.47 1hfd n ASP 153 Cb 0.52 0.28 -0.07 0.00 -0.72 0.00 0.00 41.12 41.13 1hfd n ASP 153 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1hfd s SER 154 N -5.87 4.50 0.16 1.67 1.04 -1.26 0.92 113.70 114.87 1hfd s SER 154 Ca -0.06 -0.82 -0.31 0.00 0.48 0.00 0.00 55.95 55.24 1hfd s SER 154 Cb 0.08 -0.68 -0.09 0.00 0.10 0.00 0.00 66.02 65.42 1hfd s SER 154 CO 0.83 -0.24 1.46 -0.22 0.98 0.00 0.00 173.24 176.05 1hfd s LEU 155 N -3.78 4.38 0.35 2.42 2.96 -0.21 -4.83 118.68 119.98 1hfd s LEU 155 Ca 0.36 2.50 0.09 0.00 -0.22 0.00 0.00 54.13 56.86 1hfd s LEU 155 Cb -0.02 -3.60 -0.06 0.00 0.50 0.00 0.00 46.19 43.01 1hfd s LEU 155 CO 0.21 -0.72 0.01 -1.10 -1.32 0.00 0.00 176.35 173.44 1hfd s GLN 156 N 0.76 2.04 0.26 1.98 -1.52 -0.88 -0.39 119.66 121.92 1hfd s GLN 156 Ca 0.65 -1.82 -0.21 0.00 -1.95 0.00 0.00 55.36 52.03 1hfd s GLN 156 Cb -0.40 -1.88 0.04 0.00 -0.22 0.00 0.00 33.01 30.55 1hfd s GLN 156 CO 0.33 0.10 0.80 -3.38 -0.25 0.00 0.00 175.29 172.89 1hfd s HIS 157 N -2.56 -0.11 -0.28 0.91 -3.43 -0.51 -1.73 115.29 107.58 1hfd s HIS 157 Ca 0.35 -0.34 -0.25 0.00 -0.80 0.00 0.00 55.06 54.02 1hfd s HIS 157 Cb 0.02 0.71 0.11 0.00 -1.43 0.00 0.00 32.58 31.99 1hfd s HIS 157 CO 0.19 -1.18 0.97 0.54 -2.00 0.00 0.00 174.74 173.26 1hfd s VAL 158 N -3.43 0.00 0.05 -5.38 0.11 -0.76 -1.30 120.40 109.69 1hfd s VAL 158 Ca 0.13 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 58.96 1hfd s VAL 158 Cb -0.05 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.74 1hfd s VAL 158 CO 0.07 0.00 0.65 -0.76 -3.33 0.00 0.00 175.10 171.73 1hfd s LEU 159 N 0.22 4.48 0.00 2.54 1.43 -1.26 -2.28 118.68 123.81 1hfd s LEU 159 Ca 0.02 1.32 0.03 0.00 -1.03 0.00 0.00 54.13 54.47 1hfd s LEU 159 Cb -0.05 -3.03 -0.01 0.00 0.03 0.00 0.00 46.19 43.13 1hfd s LEU 159 CO -0.05 0.14 -0.09 -0.76 0.23 0.00 0.00 176.35 175.83 1hfd s LEU 160 N -0.53 2.06 0.30 1.79 1.43 0.18 -4.90 118.68 119.00 1hfd s LEU 160 Ca 0.33 -0.22 -0.26 0.00 -1.03 0.00 0.00 54.13 52.94 1hfd s LEU 160 Cb -0.20 -0.42 -0.10 0.00 0.03 0.00 0.00 46.19 45.51 1hfd s LEU 160 CO 0.20 0.06 0.92 -2.16 0.23 0.00 0.00 176.35 175.61 1hfd s PRO 161 N -0.43 4.60 0.26 1.29 0.04 -1.26 -0.64 135.00 138.86 1hfd s PRO 161 Ca 0.02 1.31 -0.28 0.00 0.04 0.00 0.00 61.00 62.09 1hfd s PRO 161 Cb -0.04 -2.89 -0.09 0.00 0.04 0.00 0.00 34.50 31.51 1hfd s PRO 161 CO -0.00 0.33 0.92 0.08 0.04 0.00 0.00 177.00 178.37 1hfd s VAL 162 N -1.53 4.16 -0.12 -0.36 1.01 0.28 -0.38 120.40 123.47 1hfd s VAL 162 Ca 0.48 1.94 -0.04 0.00 0.00 0.00 0.00 61.98 64.37 1hfd s VAL 162 Cb -0.20 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 1hfd s VAL 162 CO 0.25 0.38 0.02 -0.22 0.00 0.00 0.00 175.10 175.52 1hfd s LEU 163 N -1.49 3.64 0.49 3.92 0.20 0.38 -0.50 118.68 125.32 1hfd s LEU 163 Ca 0.44 0.11 -0.24 0.00 0.69 0.00 0.00 54.13 55.13 1hfd s LEU 163 Cb -0.23 -1.86 -0.07 0.00 -0.43 0.00 0.00 46.19 43.60 1hfd s LEU 163 CO 0.28 0.31 1.39 1.51 -0.29 0.00 0.00 176.35 179.56 1hfd s ASP 164 N -0.45 5.62 0.24 3.68 -4.77 -1.26 -4.36 116.67 115.37 1hfd s ASP 164 Ca 0.09 2.84 -0.05 0.00 -3.30 0.00 0.00 52.55 52.13 1hfd s ASP 164 Cb -0.12 -2.65 0.33 0.00 -1.09 0.00 0.00 42.92 39.40 1hfd s ASP 164 CO 0.02 -1.34 1.85 0.08 0.70 0.00 0.00 175.17 176.48 1hfd h ARG 165 N 1.95 0.94 -0.63 2.11 0.11 -1.96 -2.58 114.38 114.32 1hfd h ARG 165 Ca -0.51 -0.06 0.15 0.00 0.10 0.00 0.00 59.98 59.67 1hfd h ARG 165 Cb 1.28 -0.21 -0.03 0.00 1.11 0.00 0.00 29.97 32.12 1hfd h ARG 165 CO 0.59 0.62 0.43 0.00 0.10 0.00 0.00 179.97 181.72 1hfd h ALA 166 N 1.41 2.34 0.00 0.08 0.00 -1.98 -0.19 119.26 120.91 1hfd h ALA 166 Ca 0.38 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 55.07 1hfd h ALA 166 Cb 0.18 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1hfd h ALA 166 CO -0.18 -0.51 -0.99 1.15 0.00 0.00 0.00 179.25 178.72 1hfd h THR 167 N 0.18 1.70 0.00 0.00 2.02 -1.83 -3.23 112.91 111.75 1hfd h THR 167 Ca 0.30 -3.41 0.00 0.00 0.77 0.00 0.00 66.41 64.08 1hfd h THR 167 Cb 0.94 2.84 0.00 0.00 -1.74 0.00 0.00 68.15 70.19 1hfd h THR 167 CO -0.05 0.97 0.00 0.00 0.37 0.00 0.00 175.52 176.81 1hfd n ASN 169 N -3.08 4.63 0.01 0.00 3.02 -0.62 -1.13 115.26 118.09 1hfd n ASN 169 Ca 0.03 -3.01 0.07 0.00 -0.03 0.00 0.00 54.58 51.65 1hfd n ASN 169 Cb 0.48 -1.55 -0.11 0.00 -0.61 0.00 0.00 39.78 37.99 1hfd n ASN 169 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1hfd n ARG 170 N 4.74 0.64 0.22 3.52 5.12 -1.26 0.17 116.66 129.82 1hfd n ARG 170 Ca 0.44 -0.04 0.13 0.00 -1.93 0.00 0.00 57.85 56.45 1hfd n ARG 170 Cb 0.37 -1.64 0.24 0.00 -1.16 0.00 0.00 32.46 30.28 1hfd n ARG 170 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 1hfd h THR 170 N 0.00 0.00 0.00 0.55 1.35 -1.94 -3.40 112.91 109.47 1hfd h THR 170 Ca -0.09 -0.91 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 1hfd h THR 170 Cb 1.24 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 69.56 1hfd h THR 170 CO 0.01 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.69 1hfd n HIS 171 N -3.05 0.00 -1.45 4.73 8.25 -1.26 -4.76 115.22 117.69 1hfd n HIS 171 Ca 0.04 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.32 1hfd n HIS 171 Cb 0.50 0.00 0.15 0.00 1.12 0.00 0.00 29.99 31.76 1hfd n HIS 171 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1hfd n HIS 172 N 0.00 2.20 -1.72 4.41 8.25 -0.29 -4.86 115.22 123.22 1hfd n HIS 172 Ca 0.00 -2.01 0.00 0.00 -0.26 0.00 0.00 57.72 55.45 1hfd n HIS 172 Cb 0.00 -0.77 0.00 0.00 1.12 0.00 0.00 29.99 30.34 1hfd n HIS 172 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1hfd n ASP 173 N -1.05 0.00 -2.39 0.41 2.03 -1.07 -0.07 116.55 114.41 1hfd n ASP 173 Ca 0.47 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.66 1hfd n ASP 173 Cb 1.14 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 41.53 1hfd n ASP 173 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1hfd n GLY 174 N -0.24 -0.42 0.07 0.27 0.00 0.45 -4.82 105.19 100.49 1hfd n GLY 174 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1hfd n GLY 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hfd n ALA 175 N -2.09 2.71 -2.62 4.61 0.00 0.90 -4.78 120.51 119.23 1hfd n ALA 175 Ca -0.15 -0.17 -0.43 0.00 0.00 0.00 0.00 53.44 52.70 1hfd n ALA 175 Cb 0.60 -1.30 -0.04 0.00 0.00 0.00 0.00 19.45 18.71 1hfd n ALA 175 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1hfd s ILE 176 N -3.11 4.38 0.87 0.00 -1.09 -1.26 -5.05 121.20 115.94 1hfd s ILE 176 Ca 0.09 0.44 -0.08 0.00 -2.23 0.00 0.00 60.65 58.87 1hfd s ILE 176 Cb 0.14 -4.52 0.19 0.00 -1.58 0.00 0.00 42.46 36.68 1hfd s ILE 176 CO 0.66 -1.06 1.19 0.35 -1.23 0.00 0.00 174.94 174.85 1hfd n THR 177 N 6.29 0.00 0.30 2.92 -2.24 -1.26 -4.92 114.28 115.36 1hfd n THR 177 Ca 0.03 -1.31 0.15 0.00 -2.27 0.00 0.00 64.05 60.66 1hfd n THR 177 Cb 0.48 -1.19 0.70 0.00 -2.10 0.00 0.00 70.33 68.22 1hfd n THR 177 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1hfd h GLU 178 N 0.00 0.00 -0.29 -0.78 4.11 -2.02 -2.02 114.58 113.59 1hfd h GLU 178 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.04 1hfd h GLU 178 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1hfd h GLU 178 CO 0.34 0.00 0.00 0.54 0.07 0.00 0.00 179.01 179.96 1hfd n ARG 179 N -2.62 1.85 -4.25 1.06 5.12 -1.26 -4.87 116.66 111.68 1hfd n ARG 179 Ca -0.00 -1.30 -0.17 0.00 -1.93 0.00 0.00 57.85 54.46 1hfd n ARG 179 Cb 0.18 -1.35 -0.11 0.00 -1.16 0.00 0.00 32.46 30.02 1hfd n ARG 179 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1hfd s LEU 180 N -1.29 2.46 0.07 0.55 1.43 -0.76 -1.25 118.68 119.90 1hfd s LEU 180 Ca 0.29 -0.90 -0.00 0.00 -1.03 0.00 0.00 54.13 52.49 1hfd s LEU 180 Cb 0.16 -0.48 -0.04 0.00 0.03 0.00 0.00 46.19 45.85 1hfd s LEU 180 CO 0.22 -0.21 -0.02 0.00 0.23 0.00 0.00 176.35 176.57 1hfd s MET 181 N -3.13 0.71 0.16 1.70 0.23 0.55 -4.73 119.30 114.78 1hfd s MET 181 Ca 0.13 -1.28 0.07 0.00 -1.03 0.00 0.00 55.69 53.58 1hfd s MET 181 Cb -0.02 0.13 -0.04 0.00 -1.53 0.00 0.00 34.83 33.37 1hfd s MET 181 CO 0.03 -0.12 -0.15 0.00 -2.03 0.00 0.00 175.02 172.74 1hfd s ALA 183 N -2.43 1.61 0.65 0.00 0.00 -0.89 -0.47 121.76 120.23 1hfd s ALA 183 Ca 0.15 -1.57 -0.17 0.00 0.00 0.00 0.00 51.96 50.38 1hfd s ALA 183 Cb -0.03 0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.18 1hfd s ALA 183 CO 0.05 -0.09 1.19 -1.21 0.00 0.00 0.00 175.76 175.70 1hfd s GLU 184 N -3.75 2.65 -0.07 0.00 2.02 0.49 -2.14 118.70 117.91 1hfd s GLU 184 Ca 0.20 1.75 0.10 0.00 0.02 0.00 0.00 54.97 57.03 1hfd s GLU 184 Cb 0.03 -1.90 0.15 0.00 0.10 0.00 0.00 34.13 32.51 1hfd s GLU 184 CO 0.03 -1.43 1.04 -1.13 0.02 0.00 0.00 175.26 173.79 1hfd n SER 185 N -2.10 1.53 -4.56 -0.19 3.41 -1.26 -4.56 113.62 105.89 1hfd n SER 185 Ca 0.13 -2.50 -0.41 0.00 -0.26 0.00 0.00 58.87 55.83 1hfd n SER 185 Cb 0.50 -0.28 -0.03 0.00 -0.26 0.00 0.00 64.21 64.15 1hfd n SER 185 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1hfd s ASN 186 N -1.92 6.06 0.00 4.04 2.47 -1.26 -2.73 114.94 121.60 1hfd s ASN 186 Ca 0.17 -0.10 0.00 0.00 0.42 0.00 0.00 52.86 53.34 1hfd s ASN 186 Cb 0.15 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.40 1hfd s ASN 186 CO 0.02 -1.85 0.00 0.54 -3.72 0.00 0.00 177.10 172.09 1hfd n ARG 187 N 9.08 0.00 -4.47 0.43 1.74 -1.06 -4.87 116.66 117.51 1hfd n ARG 187 Ca 0.08 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.83 1hfd n ARG 187 Cb 0.49 -0.87 -0.15 0.00 -1.02 0.00 0.00 32.46 30.92 1hfd n ARG 187 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1hfd s ARG 188 N 0.00 3.20 0.12 5.56 0.52 -1.26 -3.53 118.95 123.56 1hfd s ARG 188 Ca 0.00 -0.75 -0.25 0.00 -0.52 0.00 0.00 55.73 54.20 1hfd s ARG 188 Cb 0.00 -2.63 0.07 0.00 0.52 0.00 0.00 34.95 32.91 1hfd s ARG 188 CO 0.00 -0.01 0.83 0.34 0.02 0.00 0.00 175.30 176.48 1hfd s ASP 189 N 0.88 -0.33 0.16 0.23 -1.08 -0.61 -4.15 116.67 111.77 1hfd s ASP 189 Ca -0.04 -0.22 -0.11 0.00 -0.52 0.00 0.00 52.55 51.66 1hfd s ASP 189 Cb -0.15 0.51 -0.07 0.00 -1.46 0.00 0.00 42.92 41.76 1hfd s ASP 189 CO -0.01 -0.89 0.50 -0.94 0.52 0.00 0.00 175.17 174.35 1hfd s SER 190 N -2.75 6.69 0.00 -0.34 1.04 -1.26 0.33 113.70 117.41 1hfd s SER 190 Ca 0.07 0.92 0.00 0.00 0.48 0.00 0.00 55.95 57.43 1hfd s SER 190 Cb -0.02 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 63.87 1hfd s SER 190 CO -0.04 0.06 0.00 0.00 0.98 0.00 0.00 173.24 174.24 1hfd n LYS 192 N 0.00 1.89 0.00 0.00 4.81 -1.26 -1.14 118.16 122.46 1hfd n LYS 192 Ca 0.00 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 1hfd n LYS 192 Cb 0.00 -2.40 0.00 0.00 0.02 0.00 0.00 35.03 32.65 1hfd n LYS 192 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1hfd n GLY 193 N 2.99 3.39 0.15 3.14 0.00 -1.26 -1.08 105.19 112.52 1hfd n GLY 193 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 1hfd n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hfd n ASP 194 N 0.00 1.07 -4.65 1.61 8.00 -0.29 -3.64 116.55 118.64 1hfd n ASP 194 Ca 0.00 -0.87 -0.42 0.00 0.71 0.00 0.00 54.79 54.21 1hfd n ASP 194 Cb 0.00 0.51 0.01 0.00 -0.02 0.00 0.00 41.12 41.62 1hfd n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1hfd n SER 195 N -1.03 1.90 0.00 -2.24 7.64 -1.26 -1.50 113.62 117.14 1hfd n SER 195 Ca 0.07 1.09 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1hfd n SER 195 Cb 0.36 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 1hfd n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1hfd n GLY 196 N 1.00 1.81 3.94 0.23 0.00 0.14 -0.50 105.19 111.82 1hfd n GLY 196 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1hfd n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hfd s GLY 197 N -1.94 1.74 0.13 -0.02 0.00 -0.56 -3.30 107.32 103.37 1hfd s GLY 197 Ca 0.00 -1.19 -0.30 0.00 0.00 0.00 0.00 44.72 43.23 1hfd s GLY 197 CO 0.00 -0.56 0.96 2.56 0.00 0.00 0.00 173.10 176.07 1hfd s PRO 198 N -5.59 4.72 -0.48 2.90 0.04 -1.26 -0.66 135.00 134.66 1hfd s PRO 198 Ca 0.69 1.47 0.03 0.00 0.04 0.00 0.00 61.00 63.23 1hfd s PRO 198 Cb -0.06 -3.36 0.12 0.00 0.04 0.00 0.00 34.50 31.24 1hfd s PRO 198 CO 0.49 0.25 0.22 -1.17 0.04 0.00 0.00 177.00 176.83 1hfd s LEU 199 N -0.17 4.52 -0.10 -3.56 2.96 -0.31 -3.75 118.68 118.28 1hfd s LEU 199 Ca 0.46 -2.76 -0.17 0.00 -0.22 0.00 0.00 54.13 51.44 1hfd s LEU 199 Cb -0.24 -1.66 -0.05 0.00 0.50 0.00 0.00 46.19 44.75 1hfd s LEU 199 CO 0.30 -0.29 0.45 -0.69 -1.32 0.00 0.00 176.35 174.80 1hfd s VAL 200 N 0.07 5.17 -0.08 1.68 1.01 0.26 -1.35 120.40 127.16 1hfd s VAL 200 Ca 0.15 0.90 -0.01 0.00 0.00 0.00 0.00 61.98 63.02 1hfd s VAL 200 Cb -0.24 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.39 1hfd s VAL 200 CO -0.02 0.37 -0.02 0.00 0.00 0.00 0.00 175.10 175.43 1hfd n GLY 202 N 5.07 0.02 1.86 0.00 0.00 -1.26 -2.43 105.19 108.45 1hfd n GLY 202 Ca -0.09 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1hfd n GLY 202 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hfd n GLY 207 N -1.04 0.51 3.17 -0.02 0.00 -1.26 -5.03 105.19 101.51 1hfd n GLY 207 Ca -0.17 -0.24 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 1hfd n GLY 207 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hfd s VAL 208 N -2.00 1.04 -0.27 1.61 1.01 -1.02 -4.65 120.40 116.13 1hfd s VAL 208 Ca 0.00 -1.39 -0.29 0.00 0.00 0.00 0.00 61.98 60.30 1hfd s VAL 208 Cb 0.00 -1.12 0.01 0.00 0.00 0.00 0.00 36.38 35.26 1hfd s VAL 208 CO 0.00 -0.33 1.15 -0.22 0.00 0.00 0.00 175.10 175.70 1hfd s LEU 209 N -1.94 4.01 -0.18 3.92 2.96 -0.45 -0.90 118.68 126.10 1hfd s LEU 209 Ca -0.00 1.28 0.08 0.00 -0.22 0.00 0.00 54.13 55.26 1hfd s LEU 209 Cb -0.08 -3.54 -0.16 0.00 0.50 0.00 0.00 46.19 42.90 1hfd s LEU 209 CO 0.02 -0.85 -0.06 -0.62 -1.32 0.00 0.00 176.35 173.52 1hfd n GLU 210 N 6.79 0.98 -4.04 1.98 -0.58 -0.46 -1.67 120.64 123.64 1hfd n GLU 210 Ca 0.13 0.05 -0.12 0.00 -0.42 0.00 0.00 57.16 56.80 1hfd n GLU 210 Cb 0.46 -1.40 -0.04 0.00 -0.57 0.00 0.00 31.44 29.89 1hfd n GLU 210 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1hfd s GLY 211 N -5.44 1.09 -0.06 0.62 0.00 -0.95 -2.40 107.32 100.18 1hfd s GLY 211 Ca -0.17 -1.26 0.03 0.00 0.00 0.00 0.00 44.72 43.32 1hfd s GLY 211 CO 0.56 -0.83 -0.14 0.14 0.00 0.00 0.00 173.10 172.83 1hfd s VAL 212 N -3.27 1.26 0.08 1.40 1.01 -0.69 -1.16 120.40 119.03 1hfd s VAL 212 Ca 0.27 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.38 1hfd s VAL 212 Cb -0.01 -1.13 -0.09 0.00 0.00 0.00 0.00 36.38 35.15 1hfd s VAL 212 CO 0.16 0.38 1.88 -0.69 0.00 0.00 0.00 175.10 176.83 1hfd s VAL 213 N 0.52 2.81 0.82 2.92 1.01 0.16 -0.65 120.40 127.99 1hfd s VAL 213 Ca -0.13 0.07 -0.10 0.00 0.00 0.00 0.00 61.98 61.82 1hfd s VAL 213 Cb -0.15 -3.05 0.09 0.00 0.00 0.00 0.00 36.38 33.27 1hfd s VAL 213 CO 0.04 -0.00 1.10 0.42 0.00 0.00 0.00 175.10 176.66 1hfd s THR 214 N 3.57 2.96 -0.68 3.92 -4.23 -1.13 0.28 115.64 120.33 1hfd s THR 214 Ca 0.84 0.31 0.02 0.00 -1.18 0.00 0.00 61.69 61.68 1hfd s THR 214 Cb -0.44 -2.68 0.37 0.00 1.34 0.00 0.00 72.50 71.09 1hfd s THR 214 CO 0.38 -0.41 1.55 -1.54 -0.54 0.00 0.00 174.62 174.06 1hfd n SER 215 N -3.74 6.12 -4.54 3.99 3.41 -1.26 -4.46 113.62 113.14 1hfd n SER 215 Ca 0.10 -3.76 -0.26 0.00 -0.26 0.00 0.00 58.87 54.68 1hfd n SER 215 Cb 0.53 -0.79 -0.10 0.00 -0.26 0.00 0.00 64.21 63.59 1hfd n SER 215 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1hfd s GLY 216 N -2.31 1.73 0.01 5.00 0.00 -1.26 -4.83 107.32 105.66 1hfd s GLY 216 Ca 0.49 -1.54 -0.30 0.00 0.00 0.00 0.00 44.72 43.37 1hfd s GLY 216 CO -0.28 -1.57 1.85 -0.56 0.00 0.00 0.00 173.10 172.55 1hfd s SER 217 N -2.89 6.53 -0.09 1.64 0.01 -1.26 -4.96 113.70 112.67 1hfd s SER 217 Ca 0.25 2.53 -0.18 0.00 1.31 0.00 0.00 55.95 59.85 1hfd s SER 217 Cb -0.08 -2.53 0.04 0.00 0.21 0.00 0.00 66.02 63.65 1hfd s SER 217 CO 0.14 -1.00 0.44 -0.60 0.41 0.00 0.00 173.24 172.63 1hfd s ARG 218 N 4.20 0.67 0.41 12.44 3.52 -1.26 -5.15 118.95 133.79 1hfd s ARG 218 Ca 0.83 0.27 -0.22 0.00 -0.13 0.00 0.00 55.73 56.47 1hfd s ARG 218 Cb -0.40 0.31 -0.10 0.00 -1.56 0.00 0.00 34.95 33.21 1hfd s ARG 218 CO 0.37 -0.15 0.98 0.54 -0.81 0.00 0.00 175.30 176.23 1hfd s VAL 219 N -0.57 4.16 -0.01 7.11 0.11 -1.26 -4.87 120.40 125.08 1hfd s VAL 219 Ca -0.07 1.47 0.02 0.00 -2.93 0.00 0.00 61.98 60.47 1hfd s VAL 219 Cb -0.03 -3.66 -0.03 0.00 -1.53 0.00 0.00 36.38 31.12 1hfd s VAL 219 CO 0.03 -0.17 -0.03 0.00 -3.33 0.00 0.00 175.10 171.61 1hfd n GLY 221 N 1.52 0.77 3.52 0.00 0.00 -1.23 -5.00 105.19 104.76 1hfd n GLY 221 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1hfd n GLY 221 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1hfd s ASN 222 N -2.54 6.21 0.00 1.61 3.84 -1.10 -2.57 114.94 120.37 1hfd s ASN 222 Ca 0.00 -0.41 0.01 0.00 0.21 0.00 0.00 52.86 52.67 1hfd s ASN 222 Cb 0.00 -2.22 0.05 0.00 -0.55 0.00 0.00 41.25 38.53 1hfd s ASN 222 CO 0.00 -0.48 0.96 -2.11 -2.79 0.00 0.00 177.10 172.68 1hfd n ARG 223 N 5.54 0.01 0.00 0.43 -4.01 -1.25 -1.17 116.66 116.21 1hfd n ARG 223 Ca -0.08 0.41 0.13 0.00 -1.04 0.00 0.00 57.85 57.27 1hfd n ARG 223 Cb 0.48 -1.50 0.32 0.00 -3.04 0.00 0.00 32.46 28.72 1hfd n ARG 223 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 1hfd n LYS 223 N -1.42 1.91 -3.53 2.89 5.02 -1.26 -4.48 118.16 117.29 1hfd n LYS 223 Ca 0.00 -1.36 -0.27 0.00 -2.02 0.00 0.00 58.31 54.66 1hfd n LYS 223 Cb 0.01 -1.47 -0.10 0.00 -0.02 0.00 0.00 35.03 33.44 1hfd n LYS 223 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1hfd n LYS 224 N 0.64 0.67 -1.12 1.97 4.76 -0.32 -4.12 118.16 120.65 1hfd n LYS 224 Ca 0.16 -3.55 -0.33 0.00 -2.87 0.00 0.00 58.31 51.72 1hfd n LYS 224 Cb 0.46 -1.84 0.13 0.00 -1.84 0.00 0.00 35.03 31.94 1hfd n LYS 224 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 1hfd s PRO 225 N -0.41 1.63 0.25 1.97 0.02 -1.26 -4.70 135.00 132.49 1hfd s PRO 225 Ca 0.31 1.78 -0.30 0.00 0.02 0.00 0.00 61.00 62.81 1hfd s PRO 225 Cb 0.02 -1.77 -0.09 0.00 0.02 0.00 0.00 34.50 32.68 1hfd s PRO 225 CO -0.19 -2.23 1.22 0.20 -0.33 0.00 0.00 177.00 175.67 1hfd s GLY 226 N -2.13 2.81 -0.13 0.52 0.00 -0.91 -4.91 107.32 102.58 1hfd s GLY 226 Ca 0.74 1.04 -0.03 0.00 0.00 0.00 0.00 44.72 46.47 1hfd s GLY 226 CO 0.50 1.82 -0.02 -0.42 0.00 0.00 0.00 173.10 174.98 1hfd s ILE 227 N -0.58 4.07 -0.00 0.90 1.01 -1.26 -2.09 121.20 123.24 1hfd s ILE 227 Ca 0.50 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.86 1hfd s ILE 227 Cb -0.35 -2.75 -0.01 0.00 0.01 0.00 0.00 42.46 39.36 1hfd s ILE 227 CO 0.42 0.53 -0.07 -0.31 0.00 0.00 0.00 174.94 175.52 1hfd s TYR 228 N -0.11 0.58 -0.02 3.97 1.51 0.21 -2.83 117.35 120.66 1hfd s TYR 228 Ca 0.03 -0.13 -0.28 0.00 -1.01 0.00 0.00 57.07 55.68 1hfd s TYR 228 Cb -0.13 -0.37 -0.03 0.00 -0.11 0.00 0.00 41.96 41.32 1hfd s TYR 228 CO 0.02 -0.01 0.91 0.99 -1.11 0.00 0.00 175.55 176.35 1hfd s THR 229 N -0.21 4.91 -0.16 -0.71 2.01 0.17 -0.33 115.64 121.32 1hfd s THR 229 Ca 0.02 1.91 -0.29 0.00 0.31 0.00 0.00 61.69 63.64 1hfd s THR 229 Cb -0.03 -4.25 -0.01 0.00 0.01 0.00 0.00 72.50 68.22 1hfd s THR 229 CO -0.00 0.18 1.13 -0.13 -0.69 0.00 0.00 174.62 175.11 1hfd s ARG 230 N 0.99 4.29 0.32 4.92 0.52 -0.38 -1.70 118.95 127.90 1hfd s ARG 230 Ca 0.48 1.51 0.14 0.00 -0.52 0.00 0.00 55.73 57.34 1hfd s ARG 230 Cb -0.20 -3.65 0.49 0.00 0.52 0.00 0.00 34.95 32.10 1hfd s ARG 230 CO 0.25 -0.58 1.66 -0.39 0.02 0.00 0.00 175.30 176.27 1hfd h VAL 231 N 5.34 1.19 -0.77 3.52 -1.51 -1.79 -3.00 116.25 119.23 1hfd h VAL 231 Ca -0.26 -1.87 0.03 0.00 -1.23 0.00 0.00 66.70 63.37 1hfd h VAL 231 Cb 1.10 2.06 -0.04 0.00 -2.13 0.00 0.00 31.29 32.28 1hfd h VAL 231 CO 0.94 0.50 0.51 0.00 -1.23 0.00 0.00 177.57 178.29 1hfd h ALA 232 N 1.49 1.53 0.00 5.19 0.00 -1.78 0.66 119.26 126.34 1hfd h ALA 232 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1hfd h ALA 232 Cb 1.02 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1hfd h ALA 232 CO 0.07 0.40 0.00 0.43 0.00 0.00 0.00 179.25 180.15 1hfd n SER 233 N -4.45 0.44 -0.12 0.00 7.64 -1.13 -2.26 113.62 113.74 1hfd n SER 233 Ca 0.10 0.64 0.07 0.00 1.01 0.00 0.00 58.87 60.69 1hfd n SER 233 Cb 0.10 -0.72 0.12 0.00 -1.01 0.00 0.00 64.21 62.70 1hfd n SER 233 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1hfd n TYR 234 N -2.02 0.08 -0.22 1.43 4.01 0.18 -4.76 117.16 115.85 1hfd n TYR 234 Ca 0.01 -0.86 0.19 0.00 -0.16 0.00 0.00 57.90 57.08 1hfd n TYR 234 Cb 0.14 -0.13 0.53 0.00 -0.31 0.00 0.00 39.34 39.56 1hfd n TYR 234 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1hfd h ALA 235 N 0.17 2.23 -0.27 -0.72 0.00 -0.99 -1.54 119.26 118.15 1hfd h ALA 235 Ca 0.00 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1hfd h ALA 235 Cb 0.91 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1hfd h ALA 235 CO 0.02 -0.50 -0.42 0.00 0.00 0.00 0.00 179.25 178.35 1hfd h ALA 236 N 1.62 0.42 -0.62 0.00 0.00 -1.86 -1.65 119.26 117.17 1hfd h ALA 236 Ca 0.44 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1hfd h ALA 236 Cb 1.14 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1hfd h ALA 236 CO -0.15 0.53 0.12 2.35 0.00 0.00 0.00 179.25 182.11 1hfd h TRP 237 N 0.51 1.07 0.29 0.00 7.01 -1.66 -1.69 115.95 121.47 1hfd h TRP 237 Ca 0.03 -0.14 -0.01 0.00 2.11 0.00 0.00 58.89 60.87 1hfd h TRP 237 Cb 1.01 -0.30 0.00 0.00 -2.10 0.00 0.00 29.16 27.78 1hfd h TRP 237 CO 0.08 0.91 -0.14 0.82 -2.79 0.00 0.00 178.44 177.32 1hfd h ILE 238 N 0.93 0.72 -0.91 2.65 2.04 -1.44 0.18 117.51 121.68 1hfd h ILE 238 Ca 0.19 -0.65 0.21 0.00 1.00 0.00 0.00 64.86 65.61 1hfd h ILE 238 Cb 0.40 1.05 -0.12 0.00 -0.74 0.00 0.00 36.82 37.41 1hfd h ILE 238 CO 0.01 0.13 0.44 0.44 0.00 0.00 0.00 178.15 179.16 1hfd h ASP 239 N -0.75 0.43 0.38 1.72 3.32 -1.27 1.00 116.42 121.25 1hfd h ASP 239 Ca -0.04 0.14 -0.16 0.00 0.02 0.00 0.00 57.03 56.99 1hfd h ASP 239 Cb 0.50 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 1hfd h ASP 239 CO 0.06 0.06 -0.68 0.77 -1.72 0.00 0.00 179.24 177.74 1hfd h SER 240 N 0.48 0.31 0.44 6.45 4.64 -1.06 -1.97 113.55 122.83 1hfd h SER 240 Ca 0.56 -0.19 -0.21 0.00 -0.47 0.00 0.00 61.79 61.48 1hfd h SER 240 Cb 1.02 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1hfd h SER 240 CO -0.49 0.89 -0.88 0.58 -0.87 0.00 0.00 176.83 176.07 1hfd h VAL 241 N 0.18 1.44 -0.00 0.95 2.07 0.10 -3.19 116.25 117.81 1hfd h VAL 241 Ca -0.02 -2.48 0.00 0.00 0.82 0.00 0.00 66.70 65.02 1hfd h VAL 241 Cb 1.22 2.40 0.00 0.00 -1.52 0.00 0.00 31.29 33.38 1hfd h VAL 241 CO 0.11 0.73 -0.10 0.18 0.02 0.00 0.00 177.57 178.51 1hfd n LEU 242 N -3.72 0.58 0.00 2.57 4.32 0.15 -5.09 117.00 115.80 1hfd n LEU 242 Ca -0.05 -0.07 0.08 0.00 -0.02 0.00 0.00 56.01 55.96 1hfd n LEU 242 Cb 0.80 -0.14 0.49 0.00 -1.62 0.00 0.00 43.42 42.95 1hfd n LEU 242 CO 0.49 0.10 0.69 0.00 -1.22 0.00 0.00 177.39 177.46