#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hfm s ILE 2 N 0.00 0.84 0.12 2.12 2.07 -1.26 -5.08 121.20 120.01 3hfm s ILE 2 Ca 0.00 -0.30 0.03 0.00 -1.41 0.00 0.00 60.65 58.97 3hfm s ILE 2 Cb 0.00 -0.81 -0.04 0.00 0.13 0.00 0.00 42.46 41.74 3hfm s ILE 2 CO 0.00 0.29 0.15 0.68 -1.91 0.00 0.00 174.94 174.16 3hfm s VAL 3 N 0.82 4.78 -0.11 4.00 -7.23 -1.26 -4.65 120.40 116.75 3hfm s VAL 3 Ca -0.12 -0.80 0.02 0.00 -1.81 0.00 0.00 61.98 59.26 3hfm s VAL 3 Cb -0.15 -3.38 0.02 0.00 0.56 0.00 0.00 36.38 33.42 3hfm s VAL 3 CO 0.02 0.01 -0.14 -0.76 -0.31 0.00 0.00 175.10 173.91 3hfm s LEU 4 N -2.80 1.68 -0.65 1.32 1.02 -1.25 0.20 118.68 118.20 3hfm s LEU 4 Ca 0.32 -0.41 -0.07 0.00 0.02 0.00 0.00 54.13 53.99 3hfm s LEU 4 Cb -0.11 -1.05 0.17 0.00 0.02 0.00 0.00 46.19 45.21 3hfm s LEU 4 CO 0.24 0.01 0.51 -0.89 0.02 0.00 0.00 176.35 176.24 3hfm s THR 5 N 1.02 4.27 -0.20 5.49 2.01 0.87 -4.34 115.64 124.76 3hfm s THR 5 Ca -0.06 -2.64 -0.29 0.00 0.31 0.00 0.00 61.69 59.00 3hfm s THR 5 Cb -0.15 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.60 3hfm s THR 5 CO -0.02 -0.90 1.37 -1.10 -0.69 0.00 0.00 174.62 173.28 3hfm s GLN 6 N 0.23 4.07 -0.04 4.92 -0.21 -1.26 -3.13 119.66 124.23 3hfm s GLN 6 Ca 0.15 1.60 0.05 0.00 0.02 0.00 0.00 55.36 57.18 3hfm s GLN 6 Cb -0.18 -3.86 -0.01 0.00 1.00 0.00 0.00 33.01 29.96 3hfm s GLN 6 CO -0.04 -0.93 -0.17 0.45 -2.12 0.00 0.00 175.29 172.47 3hfm s SER 7 N 2.70 2.15 0.60 5.90 0.15 -1.17 -4.46 113.70 119.57 3hfm s SER 7 Ca 0.60 -0.35 -0.03 0.00 0.70 0.00 0.00 55.95 56.87 3hfm s SER 7 Cb -0.22 -0.52 0.03 0.00 -1.71 0.00 0.00 66.02 63.60 3hfm s SER 7 CO 0.21 0.17 0.87 -2.16 1.20 0.00 0.00 173.24 173.52 3hfm s PRO 8 N -0.06 2.55 0.04 5.44 0.04 -1.26 -1.20 135.00 140.56 3hfm s PRO 8 Ca -0.02 -0.42 -0.26 0.00 0.04 0.00 0.00 61.00 60.35 3hfm s PRO 8 Cb -0.11 -2.34 -0.14 0.00 0.04 0.00 0.00 34.50 31.95 3hfm s PRO 8 CO 0.02 -0.84 1.36 0.00 0.04 0.00 0.00 177.00 177.57 3hfm h ALA 9 N -0.17 -1.22 -1.94 8.56 0.00 -1.87 -3.43 119.26 119.18 3hfm h ALA 9 Ca -0.44 -0.20 -0.54 0.00 0.00 0.00 0.00 54.91 53.73 3hfm h ALA 9 Cb 1.29 0.36 -0.14 0.00 0.00 0.00 0.00 17.79 19.30 3hfm h ALA 9 CO 0.57 -1.16 -0.64 0.95 0.00 0.00 0.00 179.25 178.98 3hfm s THR 10 N -4.98 1.66 -0.24 0.00 -4.23 -1.26 -2.68 115.64 103.92 3hfm s THR 10 Ca -0.14 -2.06 -0.07 0.00 -1.18 0.00 0.00 61.69 58.24 3hfm s THR 10 Cb 0.01 -2.72 0.11 0.00 1.34 0.00 0.00 72.50 71.24 3hfm s THR 10 CO 0.41 -0.12 0.49 -0.76 -0.54 0.00 0.00 174.62 174.10 3hfm s LEU 11 N -3.54 -0.83 -0.39 4.79 1.43 -0.63 -4.93 118.68 114.57 3hfm s LEU 11 Ca 0.33 1.12 -0.10 0.00 -1.03 0.00 0.00 54.13 54.46 3hfm s LEU 11 Cb 0.07 1.66 0.05 0.00 0.03 0.00 0.00 46.19 48.00 3hfm s LEU 11 CO 0.15 -0.23 0.22 -0.55 0.23 0.00 0.00 176.35 176.17 3hfm s SER 12 N 2.71 5.67 0.03 2.29 0.15 -1.25 0.44 113.70 123.73 3hfm s SER 12 Ca -0.01 -1.23 0.04 0.00 0.70 0.00 0.00 55.95 55.45 3hfm s SER 12 Cb -0.12 -2.00 -0.02 0.00 -1.71 0.00 0.00 66.02 62.17 3hfm s SER 12 CO -0.15 -0.45 -0.12 0.68 1.20 0.00 0.00 173.24 174.39 3hfm s VAL 13 N 1.49 0.97 -0.64 4.45 -7.23 1.09 -4.79 120.40 115.75 3hfm s VAL 13 Ca 0.02 -0.88 -0.27 0.00 -1.81 0.00 0.00 61.98 59.04 3hfm s VAL 13 Cb -0.21 -0.88 -0.00 0.00 0.56 0.00 0.00 36.38 35.84 3hfm s VAL 13 CO 0.04 0.01 1.65 0.28 -0.31 0.00 0.00 175.10 176.78 3hfm s THR 14 N -0.77 3.50 -0.20 5.32 -1.32 -1.26 -0.82 115.64 120.09 3hfm s THR 14 Ca 0.01 0.31 -0.14 0.00 -1.21 0.00 0.00 61.69 60.66 3hfm s THR 14 Cb -0.07 -4.26 -0.07 0.00 -1.51 0.00 0.00 72.50 66.60 3hfm s THR 14 CO 0.01 -1.19 0.76 -2.65 -2.21 0.00 0.00 174.62 169.34 3hfm n PRO 15 N 9.17 0.00 0.00 7.08 -0.02 -1.26 -1.03 135.00 148.94 3hfm n PRO 15 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 3hfm n PRO 15 Cb 0.51 -0.50 0.00 0.00 -0.02 0.00 0.00 33.50 33.49 3hfm n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hfm n GLY 16 N 2.43 1.47 3.89 -1.23 0.00 -0.89 -4.97 105.19 105.89 3hfm n GLY 16 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 3hfm n GLY 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hfm s ASN 17 N -1.95 5.45 -0.07 1.61 3.04 -0.20 -4.21 114.94 118.61 3hfm s ASN 17 Ca 0.00 1.08 0.01 0.00 0.04 0.00 0.00 52.86 53.98 3hfm s ASN 17 Cb 0.00 -1.89 -0.03 0.00 -1.54 0.00 0.00 41.25 37.79 3hfm s ASN 17 CO 0.00 -1.32 -0.06 -0.44 -3.04 0.00 0.00 177.10 172.24 3hfm s SER 18 N -4.36 4.73 0.45 -4.21 0.01 -1.26 -0.40 113.70 108.67 3hfm s SER 18 Ca 0.58 -0.00 0.03 0.00 1.31 0.00 0.00 55.95 57.86 3hfm s SER 18 Cb -0.11 -1.21 -0.01 0.00 0.21 0.00 0.00 66.02 64.90 3hfm s SER 18 CO 0.51 0.36 0.09 0.55 0.41 0.00 0.00 173.24 175.16 3hfm n VAL 19 N 2.18 0.00 -3.54 3.43 3.14 -0.35 -4.97 118.33 118.22 3hfm n VAL 19 Ca -0.18 -2.42 -0.01 0.00 -2.96 0.00 0.00 64.34 58.77 3hfm n VAL 19 Cb 0.53 0.72 -0.05 0.00 -1.06 0.00 0.00 33.84 33.98 3hfm n VAL 19 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 3hfm s SER 20 N -3.66 -0.57 -0.05 6.55 1.04 -1.26 -3.13 113.70 112.63 3hfm s SER 20 Ca 0.13 0.84 -0.01 0.00 0.48 0.00 0.00 55.95 57.39 3hfm s SER 20 Cb 0.01 1.45 -0.04 0.00 0.10 0.00 0.00 66.02 67.54 3hfm s SER 20 CO 0.09 -0.13 0.03 -0.76 0.98 0.00 0.00 173.24 173.46 3hfm s LEU 21 N 1.89 3.71 0.27 2.42 1.43 -0.41 -4.80 118.68 123.19 3hfm s LEU 21 Ca -0.06 0.13 0.09 0.00 -1.03 0.00 0.00 54.13 53.27 3hfm s LEU 21 Cb -0.05 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 3hfm s LEU 21 CO -0.16 0.33 0.00 -0.44 0.23 0.00 0.00 176.35 176.31 3hfm s SER 22 N -1.27 4.53 -0.27 2.29 0.01 -0.34 -1.57 113.70 117.08 3hfm s SER 22 Ca 0.17 -0.67 -0.00 0.00 1.31 0.00 0.00 55.95 56.76 3hfm s SER 22 Cb -0.12 -0.82 0.16 0.00 0.21 0.00 0.00 66.02 65.45 3hfm s SER 22 CO 0.07 -0.02 0.47 0.00 0.41 0.00 0.00 173.24 174.18 3hfm s ARG 24 N 2.67 2.81 0.06 0.00 3.52 -1.18 -2.95 118.95 123.87 3hfm s ARG 24 Ca 0.14 -1.17 -0.25 0.00 -0.13 0.00 0.00 55.73 54.32 3hfm s ARG 24 Cb -0.14 -3.80 -0.06 0.00 -1.56 0.00 0.00 34.95 29.39 3hfm s ARG 24 CO -0.22 -0.78 0.77 0.00 -0.81 0.00 0.00 175.30 174.26 3hfm s ALA 25 N 1.55 3.38 -1.36 6.12 0.00 -1.16 -0.09 121.76 130.20 3hfm s ALA 25 Ca 0.03 0.29 -0.08 0.00 0.00 0.00 0.00 51.96 52.20 3hfm s ALA 25 Cb -0.20 -2.99 0.10 0.00 0.00 0.00 0.00 23.12 20.03 3hfm s ALA 25 CO 0.06 0.10 2.27 -1.13 0.00 0.00 0.00 175.76 177.06 3hfm n SER 26 N 2.64 6.76 0.00 0.00 3.41 0.13 -4.76 113.62 121.80 3hfm n SER 26 Ca -0.03 -3.03 0.00 0.00 -0.26 0.00 0.00 58.87 55.55 3hfm n SER 26 Cb 0.50 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.00 3hfm n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hfm n GLN 27 N 3.07 0.00 -0.15 4.33 1.13 -1.26 -4.69 117.38 119.81 3hfm n GLN 27 Ca 0.56 0.00 -0.04 0.00 -1.94 0.00 0.00 57.00 55.57 3hfm n GLN 27 Cb 0.30 0.00 0.15 0.00 0.11 0.00 0.00 30.24 30.79 3hfm n GLN 27 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3hfm h SER 28 N 0.00 0.84 -2.98 1.08 0.87 -1.86 -3.39 113.55 108.11 3hfm h SER 28 Ca 0.00 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 3hfm h SER 28 Cb 0.00 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 3hfm h SER 28 CO 0.00 0.85 0.00 2.30 -0.53 0.00 0.00 176.83 179.45 3hfm n ILE 29 N -4.24 0.00 -1.73 2.23 -5.35 -1.26 -3.88 119.36 105.12 3hfm n ILE 29 Ca 0.04 0.00 -0.41 0.00 -0.27 0.00 0.00 62.75 62.10 3hfm n ILE 29 Cb 0.26 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.13 3hfm n ILE 29 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3hfm s GLY 30 N -1.81 0.38 0.00 3.28 0.00 -1.26 -3.84 107.32 104.07 3hfm s GLY 30 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 44.72 45.12 3hfm s GLY 30 CO 0.00 3.70 0.00 -2.01 0.00 0.00 0.00 173.10 174.79 3hfm n ASN 31 N 12.21 0.00 -3.95 1.64 2.85 -1.26 -4.85 115.26 121.90 3hfm n ASN 31 Ca 0.29 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 54.36 3hfm n ASN 31 Cb 0.48 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.48 3hfm n ASN 31 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 3hfm n ASN 32 N 0.00 5.62 -3.91 1.20 4.13 -1.25 -3.46 115.26 117.59 3hfm n ASN 32 Ca 0.00 -3.35 -0.27 0.00 1.68 0.00 0.00 54.58 52.64 3hfm n ASN 32 Cb 0.00 -1.15 -0.17 0.00 -1.54 0.00 0.00 39.78 36.92 3hfm n ASN 32 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3hfm s LEU 33 N -2.42 1.34 0.05 3.41 1.98 0.20 -2.92 118.68 120.33 3hfm s LEU 33 Ca 0.32 -0.41 0.07 0.00 -2.89 0.00 0.00 54.13 51.22 3hfm s LEU 33 Cb 0.04 -0.90 -0.03 0.00 0.66 0.00 0.00 46.19 45.97 3hfm s LEU 33 CO 0.04 -0.13 -0.19 -1.00 -1.89 0.00 0.00 176.35 173.18 3hfm s HIS 34 N 1.67 1.68 -0.12 5.38 0.09 -0.40 -3.69 115.29 119.89 3hfm s HIS 34 Ca 0.04 -0.37 -0.05 0.00 -0.00 0.00 0.00 55.06 54.68 3hfm s HIS 34 Cb -0.13 -0.99 -0.04 0.00 -0.00 0.00 0.00 32.58 31.42 3hfm s HIS 34 CO -0.08 0.09 0.06 -1.58 -0.00 0.00 0.00 174.74 173.23 3hfm s TRP 35 N -0.84 3.33 0.39 1.40 0.52 -0.99 -0.55 118.94 122.20 3hfm s TRP 35 Ca 0.06 0.28 0.04 0.00 0.02 0.00 0.00 56.10 56.51 3hfm s TRP 35 Cb -0.09 -1.90 -0.06 0.00 -1.15 0.00 0.00 33.47 30.27 3hfm s TRP 35 CO 0.02 0.50 0.05 0.71 0.02 0.00 0.00 176.95 178.24 3hfm s TYR 36 N -0.66 2.09 -0.02 -1.98 1.51 -1.01 -0.71 117.35 116.57 3hfm s TYR 36 Ca 0.12 -0.92 0.01 0.00 -1.01 0.00 0.00 57.07 55.26 3hfm s TYR 36 Cb -0.12 -1.46 0.01 0.00 -0.11 0.00 0.00 41.96 40.29 3hfm s TYR 36 CO 0.02 0.13 -0.02 -1.14 -1.11 0.00 0.00 175.55 173.44 3hfm s GLN 37 N -3.81 0.29 -0.39 -0.62 0.74 -0.52 -3.26 119.66 112.08 3hfm s GLN 37 Ca 0.30 -0.02 0.01 0.00 0.05 0.00 0.00 55.36 55.70 3hfm s GLN 37 Cb 0.07 -0.37 0.12 0.00 1.10 0.00 0.00 33.01 33.93 3hfm s GLN 37 CO 0.14 -0.04 0.18 -1.14 -0.55 0.00 0.00 175.29 173.89 3hfm s GLN 38 N 0.49 1.16 -0.29 1.67 0.74 0.76 -1.62 119.66 122.58 3hfm s GLN 38 Ca -0.05 -1.74 -0.25 0.00 0.05 0.00 0.00 55.36 53.37 3hfm s GLN 38 Cb -0.08 -2.35 0.00 0.00 1.10 0.00 0.00 33.01 31.68 3hfm s GLN 38 CO -0.01 -1.09 0.84 0.21 -0.55 0.00 0.00 175.29 174.70 3hfm s LYS 39 N 0.75 4.04 0.00 1.67 2.20 -1.26 -2.33 119.74 124.82 3hfm s LYS 39 Ca 0.15 0.77 0.00 0.00 -0.36 0.00 0.00 55.97 56.52 3hfm s LYS 39 Cb -0.22 -3.70 0.00 0.00 -1.51 0.00 0.00 37.83 32.40 3hfm s LYS 39 CO -0.08 -0.66 0.00 -1.13 -0.36 0.00 0.00 175.35 173.12 3hfm n SER 40 N 6.24 0.00 -0.19 1.43 3.41 -1.26 -3.08 113.62 120.18 3hfm n SER 40 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 3hfm n SER 40 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 3hfm n SER 40 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3hfm n HIS 41 N 0.00 0.00 -3.82 7.33 -0.00 -1.26 -5.06 115.22 112.42 3hfm n HIS 41 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.66 3hfm n HIS 41 Cb 0.00 -0.94 -0.01 0.00 -0.00 0.00 0.00 29.99 29.04 3hfm n HIS 41 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3hfm s GLU 42 N -4.16 1.61 0.19 1.57 2.02 -1.18 -5.15 118.70 113.60 3hfm s GLU 42 Ca 0.00 -0.93 -0.24 0.00 0.02 0.00 0.00 54.97 53.83 3hfm s GLU 42 Cb 0.00 0.52 -0.08 0.00 0.10 0.00 0.00 34.13 34.67 3hfm s GLU 42 CO 0.00 -0.74 0.77 0.45 0.02 0.00 0.00 175.26 175.75 3hfm s SER 43 N -2.99 7.29 0.92 -0.19 0.15 -1.26 -4.69 113.70 112.93 3hfm s SER 43 Ca 0.13 1.59 -0.10 0.00 0.70 0.00 0.00 55.95 58.26 3hfm s SER 43 Cb -0.04 -2.48 0.16 0.00 -1.71 0.00 0.00 66.02 61.95 3hfm s SER 43 CO 0.06 0.15 0.37 -2.65 1.20 0.00 0.00 173.24 172.37 3hfm n PRO 44 N 1.32 -1.35 -3.65 5.44 -0.02 -1.26 -4.81 135.00 130.66 3hfm n PRO 44 Ca -0.05 -0.62 -0.15 0.00 -2.02 0.00 0.00 63.50 60.67 3hfm n PRO 44 Cb 0.49 -1.18 -0.08 0.00 -0.02 0.00 0.00 33.50 32.72 3hfm n PRO 44 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3hfm s ARG 45 N -3.21 0.78 0.17 -0.52 1.70 -0.64 -4.96 118.95 112.28 3hfm s ARG 45 Ca 0.28 0.34 -0.29 0.00 -0.47 0.00 0.00 55.73 55.60 3hfm s ARG 45 Cb -0.05 0.37 -0.08 0.00 -0.57 0.00 0.00 34.95 34.62 3hfm s ARG 45 CO 0.24 -0.19 0.90 -1.17 -1.08 0.00 0.00 175.30 174.00 3hfm s LEU 46 N -0.63 4.58 -0.05 -1.89 2.96 -1.26 -1.43 118.68 120.96 3hfm s LEU 46 Ca -0.07 1.80 -0.05 0.00 -0.22 0.00 0.00 54.13 55.58 3hfm s LEU 46 Cb -0.03 -3.50 -0.02 0.00 0.50 0.00 0.00 46.19 43.14 3hfm s LEU 46 CO 0.05 0.10 -0.10 0.18 -1.32 0.00 0.00 176.35 175.25 3hfm n LEU 47 N 1.98 0.66 -4.22 -0.68 4.77 0.11 -4.89 117.00 114.74 3hfm n LEU 47 Ca -0.02 0.11 -0.31 0.00 -0.03 0.00 0.00 56.01 55.77 3hfm n LEU 47 Cb 0.48 -0.50 -0.17 0.00 -2.33 0.00 0.00 43.42 40.91 3hfm n LEU 47 CO 0.49 -0.45 -0.55 -0.63 -1.33 0.00 0.00 177.39 174.92 3hfm s ILE 48 N -1.64 1.92 0.74 -0.08 -1.09 -1.19 -1.29 121.20 118.57 3hfm s ILE 48 Ca -0.09 -0.97 -0.01 0.00 -2.23 0.00 0.00 60.65 57.35 3hfm s ILE 48 Cb 0.01 -1.65 0.14 0.00 -1.58 0.00 0.00 42.46 39.38 3hfm s ILE 48 CO 0.13 0.53 1.02 -0.54 -1.23 0.00 0.00 174.94 174.85 3hfm s LYS 49 N 0.10 1.56 0.00 2.79 1.02 0.26 -2.35 119.74 123.13 3hfm s LYS 49 Ca -0.10 -1.15 0.00 0.00 0.02 0.00 0.00 55.97 54.74 3hfm s LYS 49 Cb -0.15 -2.31 0.00 0.00 -0.52 0.00 0.00 37.83 34.85 3hfm s LYS 49 CO 0.06 -1.54 0.00 0.66 -0.92 0.00 0.00 175.35 173.60 3hfm n TYR 50 N -2.90 0.00 0.00 3.18 4.01 -1.26 -2.97 117.16 117.22 3hfm n TYR 50 Ca 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.90 3hfm n TYR 50 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.64 3hfm n TYR 50 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hfm n ALA 51 N 0.10 0.20 -0.68 -0.72 0.00 -1.22 -0.63 120.51 117.56 3hfm n ALA 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hfm n ALA 51 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3hfm n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hfm n SER 52 N -1.64 0.55 -4.50 0.00 3.41 -1.22 -2.88 113.62 107.34 3hfm n SER 52 Ca 0.00 -1.23 -0.43 0.00 -0.26 0.00 0.00 58.87 56.95 3hfm n SER 52 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 3hfm n SER 52 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3hfm s GLN 53 N -0.23 3.21 0.14 4.33 -0.21 -1.16 -4.78 119.66 120.96 3hfm s GLN 53 Ca 0.00 -0.50 -0.30 0.00 0.02 0.00 0.00 55.36 54.57 3hfm s GLN 53 Cb 0.00 -4.16 -0.07 0.00 1.00 0.00 0.00 33.01 29.78 3hfm s GLN 53 CO 0.00 -1.76 1.22 -1.54 -2.12 0.00 0.00 175.29 171.09 3hfm s SER 54 N 3.39 7.05 0.94 5.90 1.04 -1.26 0.92 113.70 131.68 3hfm s SER 54 Ca 0.28 2.19 -0.12 0.00 0.48 0.00 0.00 55.95 58.78 3hfm s SER 54 Cb -0.14 -2.60 0.15 0.00 0.10 0.00 0.00 66.02 63.54 3hfm s SER 54 CO 0.14 -0.43 1.09 -0.63 0.98 0.00 0.00 173.24 174.39 3hfm s ILE 55 N 0.39 2.44 -0.11 -1.02 -1.09 -0.42 -4.87 121.20 116.53 3hfm s ILE 55 Ca 0.56 0.14 -0.11 0.00 -2.23 0.00 0.00 60.65 59.01 3hfm s ILE 55 Cb -0.32 -2.61 -0.05 0.00 -1.58 0.00 0.00 42.46 37.90 3hfm s ILE 55 CO 0.34 -0.19 0.25 -0.94 -1.23 0.00 0.00 174.94 173.17 3hfm s SER 56 N -3.39 6.48 0.00 3.58 1.04 -1.26 -4.09 113.70 116.06 3hfm s SER 56 Ca 0.64 0.57 0.00 0.00 0.48 0.00 0.00 55.95 57.64 3hfm s SER 56 Cb -0.18 -2.15 0.00 0.00 0.10 0.00 0.00 66.02 63.78 3hfm s SER 56 CO 0.57 0.26 0.00 0.61 0.98 0.00 0.00 173.24 175.67 3hfm n GLY 57 N 2.58 1.26 3.22 7.32 0.00 -1.26 -5.09 105.19 113.22 3hfm n GLY 57 Ca -0.15 -0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.41 3hfm n GLY 57 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3hfm s ILE 58 N -2.00 1.62 0.48 -0.61 2.07 -1.26 -5.12 121.20 116.39 3hfm s ILE 58 Ca 0.00 -0.87 -0.20 0.00 -1.41 0.00 0.00 60.65 58.17 3hfm s ILE 58 Cb 0.00 -1.35 -0.13 0.00 0.13 0.00 0.00 42.46 41.12 3hfm s ILE 58 CO 0.00 0.46 0.28 -2.65 -1.91 0.00 0.00 174.94 171.11 3hfm n PRO 59 N 2.60 0.30 -0.01 3.50 -0.02 -1.26 -4.87 135.00 135.24 3hfm n PRO 59 Ca -0.15 0.11 0.10 0.00 -2.02 0.00 0.00 63.50 61.54 3hfm n PRO 59 Cb 0.53 -1.34 0.57 0.00 -0.02 0.00 0.00 33.50 33.24 3hfm n PRO 59 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3hfm n SER 60 N 1.57 0.30 0.06 2.55 7.64 -1.26 -2.55 113.62 121.93 3hfm n SER 60 Ca 0.10 -1.42 -0.06 0.00 1.01 0.00 0.00 58.87 58.50 3hfm n SER 60 Cb 0.44 -0.02 -0.11 0.00 -1.01 0.00 0.00 64.21 63.51 3hfm n SER 60 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3hfm h ARG 61 N 0.41 0.00 -6.59 1.43 3.08 -1.89 -3.44 114.38 107.37 3hfm h ARG 61 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 3hfm h ARG 61 Cb 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3hfm h ARG 61 CO 0.00 0.95 0.36 -0.06 -1.07 0.00 0.00 179.97 180.14 3hfm s PHE 62 N -2.73 3.84 -0.11 3.04 0.40 -1.06 -1.61 117.98 119.75 3hfm s PHE 62 Ca 0.01 1.82 -0.11 0.00 -0.60 0.00 0.00 56.93 58.04 3hfm s PHE 62 Cb 0.10 -3.04 0.03 0.00 0.51 0.00 0.00 43.02 40.61 3hfm s PHE 62 CO 0.81 0.24 0.31 0.45 0.70 0.00 0.00 175.22 177.74 3hfm s SER 63 N -0.15 -0.31 0.06 1.36 0.15 -0.63 -5.01 113.70 109.17 3hfm s SER 63 Ca 0.46 0.59 0.02 0.00 0.70 0.00 0.00 55.95 57.71 3hfm s SER 63 Cb -0.24 0.62 -0.03 0.00 -1.71 0.00 0.00 66.02 64.66 3hfm s SER 63 CO 0.30 -0.14 -0.07 -0.83 1.20 0.00 0.00 173.24 173.71 3hfm s GLY 64 N 0.04 0.58 0.33 9.45 0.00 -1.26 0.12 107.32 116.59 3hfm s GLY 64 Ca -0.01 -1.02 -0.18 0.00 0.00 0.00 0.00 44.72 43.51 3hfm s GLY 64 CO 0.01 -1.10 0.78 -1.35 0.00 0.00 0.00 173.10 171.45 3hfm s SER 65 N -2.25 -0.10 0.00 1.64 1.04 -0.64 -4.23 113.70 109.16 3hfm s SER 65 Ca -0.01 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.53 3hfm s SER 65 Cb -0.03 0.78 0.00 0.00 0.10 0.00 0.00 66.02 66.87 3hfm s SER 65 CO -0.03 -1.50 0.00 0.61 0.98 0.00 0.00 173.24 173.30 3hfm n GLY 66 N -0.51 0.99 0.00 7.32 0.00 -1.26 -2.78 105.19 108.95 3hfm n GLY 66 Ca -0.06 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.80 3hfm n GLY 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hfm n SER 67 N 0.00 0.00 0.00 1.61 3.41 -1.25 -4.73 113.62 112.66 3hfm n SER 67 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3hfm n SER 67 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3hfm n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hfm n GLY 68 N -0.83 0.40 0.29 5.00 0.00 -1.25 -4.67 105.19 104.13 3hfm n GLY 68 Ca 0.00 -1.27 -0.20 0.00 0.00 0.00 0.00 46.02 44.55 3hfm n GLY 68 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hfm n THR 69 N 0.00 1.15 -2.35 2.61 -1.04 -1.26 -4.16 114.28 109.22 3hfm n THR 69 Ca 0.00 -0.33 -0.43 0.00 -2.04 0.00 0.00 64.05 61.25 3hfm n THR 69 Cb 0.00 -1.64 -0.02 0.00 -1.82 0.00 0.00 70.33 66.85 3hfm n THR 69 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3hfm s ASP 70 N -6.65 6.44 -0.04 8.00 -0.00 -1.26 -2.96 116.67 120.20 3hfm s ASP 70 Ca -0.29 1.01 0.03 0.00 -0.00 0.00 0.00 52.55 53.30 3hfm s ASP 70 Cb 0.10 -2.54 0.00 0.00 -0.00 0.00 0.00 42.92 40.49 3hfm s ASP 70 CO 0.39 -1.31 -0.13 -0.36 -0.00 0.00 0.00 175.17 173.75 3hfm s PHE 71 N 5.10 1.42 0.03 4.23 0.40 -1.15 -3.78 117.98 124.22 3hfm s PHE 71 Ca 0.61 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 56.51 3hfm s PHE 71 Cb -0.15 -0.99 -0.02 0.00 0.51 0.00 0.00 43.02 42.36 3hfm s PHE 71 CO 0.29 -0.18 -0.04 0.95 0.70 0.00 0.00 175.22 176.95 3hfm s THR 72 N 0.25 0.18 -0.11 0.64 -4.23 -1.12 -0.79 115.64 110.46 3hfm s THR 72 Ca -0.06 -1.02 0.01 0.00 -1.18 0.00 0.00 61.69 59.43 3hfm s THR 72 Cb -0.12 -0.43 0.02 0.00 1.34 0.00 0.00 72.50 73.31 3hfm s THR 72 CO 0.02 -0.53 -0.12 -0.22 -0.54 0.00 0.00 174.62 173.22 3hfm s LEU 73 N -1.62 1.55 -0.12 4.79 2.96 -0.61 -1.62 118.68 124.01 3hfm s LEU 73 Ca -0.13 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.40 3hfm s LEU 73 Cb -0.08 -1.00 -0.02 0.00 0.50 0.00 0.00 46.19 45.59 3hfm s LEU 73 CO -0.02 -0.04 -0.14 -0.94 -1.32 0.00 0.00 176.35 173.90 3hfm s SER 74 N 1.26 3.97 -0.38 3.68 1.04 0.33 -1.29 113.70 122.31 3hfm s SER 74 Ca -0.02 -0.32 -0.13 0.00 0.48 0.00 0.00 55.95 55.96 3hfm s SER 74 Cb -0.14 -1.51 0.02 0.00 0.10 0.00 0.00 66.02 64.49 3hfm s SER 74 CO -0.05 0.19 0.26 -0.63 0.98 0.00 0.00 173.24 173.99 3hfm s ILE 75 N 0.21 5.03 -0.27 -1.02 1.01 -1.18 -1.60 121.20 123.38 3hfm s ILE 75 Ca -0.09 -0.64 -0.11 0.00 0.00 0.00 0.00 60.65 59.82 3hfm s ILE 75 Cb -0.15 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.50 3hfm s ILE 75 CO 0.05 -0.23 0.18 0.21 0.00 0.00 0.00 174.94 175.16 3hfm s ASN 76 N 1.65 6.04 -0.73 3.58 3.84 -0.63 -1.22 114.94 127.47 3hfm s ASN 76 Ca 0.04 0.02 -0.04 0.00 0.21 0.00 0.00 52.86 53.10 3hfm s ASN 76 Cb -0.19 -2.11 -0.05 0.00 -0.55 0.00 0.00 41.25 38.35 3hfm s ASN 76 CO 0.09 -0.02 0.64 -0.24 -2.79 0.00 0.00 177.10 174.78 3hfm n SER 77 N 4.84 -5.41 -4.37 -4.21 2.88 -1.09 -4.68 113.62 101.59 3hfm n SER 77 Ca -0.14 -0.46 -0.34 0.00 -1.33 0.00 0.00 58.87 56.60 3hfm n SER 77 Cb 0.52 -3.89 0.10 0.00 -0.75 0.00 0.00 64.21 60.19 3hfm n SER 77 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3hfm n VAL 78 N -2.62 0.29 -4.12 2.46 0.24 0.47 -4.63 118.33 110.42 3hfm n VAL 78 Ca -0.05 -0.26 -0.15 0.00 -2.04 0.00 0.00 64.34 61.84 3hfm n VAL 78 Cb 0.58 -0.56 -0.12 0.00 -1.47 0.00 0.00 33.84 32.27 3hfm n VAL 78 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3hfm s GLU 79 N -3.28 0.60 0.56 7.34 2.02 -1.26 -2.10 118.70 122.60 3hfm s GLU 79 Ca 0.56 -0.73 0.28 0.00 0.02 0.00 0.00 54.97 55.11 3hfm s GLU 79 Cb -0.23 -0.46 1.48 0.00 0.10 0.00 0.00 34.13 35.01 3hfm s GLU 79 CO 0.68 0.10 1.94 1.79 0.02 0.00 0.00 175.26 179.79 3hfm h THR 80 N 4.52 0.50 -0.05 3.63 1.35 -1.96 1.05 112.91 121.96 3hfm h THR 80 Ca -0.36 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 3hfm h THR 80 Cb 1.20 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 3hfm h THR 80 CO 0.42 0.00 0.00 -1.84 -0.25 0.00 0.00 175.52 173.85 3hfm n GLU 81 N -3.99 1.13 -0.49 4.72 0.28 -1.26 -3.29 120.64 117.74 3hfm n GLU 81 Ca 0.10 -0.19 0.08 0.00 -0.16 0.00 0.00 57.16 56.99 3hfm n GLU 81 Cb 0.67 -1.09 0.29 0.00 1.43 0.00 0.00 31.44 32.75 3hfm n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3hfm n ASP 82 N -0.38 4.19 -4.75 -1.84 8.00 0.36 -4.93 116.55 117.20 3hfm n ASP 82 Ca 0.04 -2.54 -0.40 0.00 0.71 0.00 0.00 54.79 52.60 3hfm n ASP 82 Cb 0.06 -0.50 -0.05 0.00 -0.02 0.00 0.00 41.12 40.60 3hfm n ASP 82 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3hfm s PHE 83 N -1.99 3.89 -5.00 1.24 -0.71 -1.21 -4.83 117.98 109.37 3hfm s PHE 83 Ca 0.43 1.74 0.00 0.00 -1.04 0.00 0.00 56.93 58.06 3hfm s PHE 83 Cb 0.29 -2.91 0.00 0.00 -1.21 0.00 0.00 43.02 39.19 3hfm s PHE 83 CO 0.18 0.39 0.00 0.41 -1.34 0.00 0.00 175.22 174.85 3hfm n GLY 84 N 1.84 -0.99 3.30 1.99 0.00 -1.19 -4.77 105.19 105.38 3hfm n GLY 84 Ca -0.02 -1.19 -0.26 0.00 0.00 0.00 0.00 46.02 44.55 3hfm n GLY 84 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hfm s MET 85 N -2.00 1.27 -0.12 1.61 1.75 -0.98 -1.89 119.30 118.94 3hfm s MET 85 Ca 0.00 -1.15 0.01 0.00 -1.25 0.00 0.00 55.69 53.30 3hfm s MET 85 Cb 0.00 -1.55 0.02 0.00 2.84 0.00 0.00 34.83 36.14 3hfm s MET 85 CO 0.00 0.37 -0.15 0.71 -0.65 0.00 0.00 175.02 175.31 3hfm s TYR 86 N -1.04 1.99 0.35 4.11 2.02 -0.81 -0.17 117.35 123.80 3hfm s TYR 86 Ca 0.08 -0.98 0.09 0.00 -0.37 0.00 0.00 57.07 55.89 3hfm s TYR 86 Cb -0.10 -1.45 -0.06 0.00 -0.40 0.00 0.00 41.96 39.95 3hfm s TYR 86 CO 0.04 -0.52 -0.01 -0.06 -1.57 0.00 0.00 175.55 173.42 3hfm s PHE 87 N 1.14 2.50 0.24 2.71 0.08 -1.20 -1.72 117.98 121.73 3hfm s PHE 87 Ca -0.03 -0.49 0.09 0.00 0.12 0.00 0.00 56.93 56.62 3hfm s PHE 87 Cb -0.14 -1.51 -0.05 0.00 -0.57 0.00 0.00 43.02 40.75 3hfm s PHE 87 CO -0.04 0.49 -0.16 0.00 -0.10 0.00 0.00 175.22 175.41 3hfm s GLN 89 N -3.60 0.37 0.50 0.00 0.74 0.29 -1.27 119.66 116.68 3hfm s GLN 89 Ca 0.26 0.90 -0.01 0.00 0.05 0.00 0.00 55.36 56.57 3hfm s GLN 89 Cb -0.02 0.13 0.01 0.00 1.10 0.00 0.00 33.01 34.22 3hfm s GLN 89 CO 0.11 -0.20 0.73 1.14 -0.55 0.00 0.00 175.29 176.52 3hfm s GLN 90 N 1.92 2.94 0.00 1.67 1.03 -1.05 -1.28 119.66 124.89 3hfm s GLN 90 Ca -0.06 -0.45 0.00 0.00 0.04 0.00 0.00 55.36 54.89 3hfm s GLN 90 Cb -0.10 -2.49 0.00 0.00 0.03 0.00 0.00 33.01 30.45 3hfm s GLN 90 CO -0.13 -0.44 0.65 -1.13 -2.54 0.00 0.00 175.29 171.71 3hfm n SER 91 N -2.23 0.00 -0.03 12.60 3.41 -1.15 -3.86 113.62 122.36 3hfm n SER 91 Ca 0.03 -1.42 -0.14 0.00 -0.26 0.00 0.00 58.87 57.08 3hfm n SER 91 Cb 0.58 -0.08 -0.10 0.00 -0.26 0.00 0.00 64.21 64.35 3hfm n SER 91 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 3hfm h ASN 92 N 0.00 0.24 -3.19 4.04 -1.24 -1.93 -3.46 115.58 110.04 3hfm h ASN 92 Ca 0.00 -0.61 -0.45 0.00 0.71 0.00 0.00 56.30 55.95 3hfm h ASN 92 Cb 1.17 -0.07 -0.14 0.00 0.73 0.00 0.00 38.32 40.00 3hfm h ASN 92 CO 0.00 0.81 -0.73 -0.44 -1.29 0.00 0.00 177.43 175.78 3hfm s SER 93 N -6.13 2.59 -0.19 1.15 0.01 -1.26 -5.12 113.70 104.75 3hfm s SER 93 Ca -0.15 -1.02 -0.10 0.00 1.31 0.00 0.00 55.95 55.99 3hfm s SER 93 Cb 0.03 -0.14 -0.05 0.00 0.21 0.00 0.00 66.02 66.07 3hfm s SER 93 CO 0.73 -0.17 0.12 0.86 0.41 0.00 0.00 173.24 175.20 3hfm s TRP 94 N -2.96 3.40 0.44 2.43 -0.11 -1.26 -3.05 118.94 117.82 3hfm s TRP 94 Ca 0.23 0.31 -0.18 0.00 1.22 0.00 0.00 56.10 57.67 3hfm s TRP 94 Cb -0.01 -2.14 -0.09 0.00 -1.50 0.00 0.00 33.47 29.73 3hfm s TRP 94 CO 0.07 0.29 0.91 -1.25 -4.62 0.00 0.00 176.95 172.36 3hfm s PRO 95 N 0.30 4.08 -0.03 5.86 0.04 -1.26 -4.97 135.00 139.01 3hfm s PRO 95 Ca 0.08 0.95 -0.30 0.00 0.04 0.00 0.00 61.00 61.77 3hfm s PRO 95 Cb -0.11 -2.22 -0.06 0.00 0.04 0.00 0.00 34.50 32.15 3hfm s PRO 95 CO -0.01 -0.07 1.67 0.71 0.04 0.00 0.00 177.00 179.33 3hfm s TYR 96 N -2.30 2.00 -0.04 0.56 2.02 -1.17 -4.68 117.35 113.73 3hfm s TYR 96 Ca 0.59 0.17 0.04 0.00 -0.37 0.00 0.00 57.07 57.50 3hfm s TYR 96 Cb -0.10 -3.94 -0.03 0.00 -0.40 0.00 0.00 41.96 37.50 3hfm s TYR 96 CO 0.21 -3.94 -0.15 0.95 -1.57 0.00 0.00 175.55 171.05 3hfm s THR 97 N 3.87 3.03 0.33 -0.71 -4.23 -1.25 -4.96 115.64 111.72 3hfm s THR 97 Ca 0.74 -0.76 0.03 0.00 -1.18 0.00 0.00 61.69 60.52 3hfm s THR 97 Cb -0.35 -2.19 -0.02 0.00 1.34 0.00 0.00 72.50 71.28 3hfm s THR 97 CO 0.31 0.58 0.50 -0.36 -0.54 0.00 0.00 174.62 175.10 3hfm s PHE 98 N -0.74 3.38 0.39 3.99 0.40 -1.26 -2.53 117.98 121.60 3hfm s PHE 98 Ca 0.12 0.12 -0.00 0.00 -0.60 0.00 0.00 56.93 56.57 3hfm s PHE 98 Cb -0.11 -1.88 -0.03 0.00 0.51 0.00 0.00 43.02 41.52 3hfm s PHE 98 CO 0.01 0.12 0.61 0.20 0.70 0.00 0.00 175.22 176.85 3hfm s GLY 99 N -4.07 1.42 0.57 4.36 0.00 -0.40 -4.73 107.32 104.47 3hfm s GLY 99 Ca 0.40 -0.91 0.32 0.00 0.00 0.00 0.00 44.72 44.54 3hfm s GLY 99 CO 0.33 -0.80 1.76 -1.33 0.00 0.00 0.00 173.10 173.06 3hfm h GLY 100 N 0.60 0.00 0.00 0.20 0.00 -1.89 -3.43 103.07 98.54 3hfm h GLY 100 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3hfm h GLY 100 CO 0.60 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.75 3hfm n GLY 101 N -1.66 -0.09 3.04 4.60 0.00 -1.26 -5.04 105.19 104.78 3hfm n GLY 101 Ca 0.19 -1.76 -0.05 0.00 0.00 0.00 0.00 46.02 44.40 3hfm n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hfm s THR 102 N -2.22 -0.73 -0.55 2.61 2.01 -0.70 -4.79 115.64 111.27 3hfm s THR 102 Ca 0.00 -0.02 -0.24 0.00 0.31 0.00 0.00 61.69 61.74 3hfm s THR 102 Cb 0.00 -0.86 0.04 0.00 0.01 0.00 0.00 72.50 71.70 3hfm s THR 102 CO 0.00 -0.06 0.92 -0.75 -0.69 0.00 0.00 174.62 174.04 3hfm s LYS 103 N 2.65 3.32 -0.27 4.92 2.20 -1.09 -1.92 119.74 129.55 3hfm s LYS 103 Ca 0.13 -0.31 -0.20 0.00 -0.36 0.00 0.00 55.97 55.23 3hfm s LYS 103 Cb -0.15 -4.06 -0.02 0.00 -1.51 0.00 0.00 37.83 32.10 3hfm s LYS 103 CO -0.17 -1.47 0.63 -1.17 -0.36 0.00 0.00 175.35 172.80 3hfm s LEU 104 N 3.87 4.09 -0.01 5.43 0.20 -0.79 -1.60 118.68 129.86 3hfm s LEU 104 Ca 0.29 0.60 0.00 0.00 0.69 0.00 0.00 54.13 55.71 3hfm s LEU 104 Cb -0.13 -2.83 -0.04 0.00 -0.43 0.00 0.00 46.19 42.76 3hfm s LEU 104 CO 0.19 -0.41 0.05 -1.61 -0.29 0.00 0.00 176.35 174.28 3hfm s GLU 105 N 2.54 2.96 -0.28 1.98 2.02 1.51 -3.14 118.70 126.29 3hfm s GLU 105 Ca 0.26 -0.52 -0.15 0.00 0.02 0.00 0.00 54.97 54.57 3hfm s GLU 105 Cb -0.15 -2.79 -0.03 0.00 0.10 0.00 0.00 34.13 31.25 3hfm s GLU 105 CO 0.10 0.64 0.38 0.42 0.02 0.00 0.00 175.26 176.82 3hfm s ILE 106 N -1.14 5.17 -0.38 -1.63 -1.09 -1.26 0.35 121.20 121.23 3hfm s ILE 106 Ca 0.21 0.50 -0.28 0.00 -2.23 0.00 0.00 60.65 58.84 3hfm s ILE 106 Cb -0.12 -3.72 -0.01 0.00 -1.58 0.00 0.00 42.46 37.04 3hfm s ILE 106 CO 0.12 0.11 1.64 -0.54 -1.23 0.00 0.00 174.94 175.04 3hfm s LYS 107 N 2.08 3.41 0.00 2.79 1.02 0.00 -4.84 119.74 124.20 3hfm s LYS 107 Ca 0.15 1.18 0.00 0.00 0.02 0.00 0.00 55.97 57.32 3hfm s LYS 107 Cb -0.16 -4.13 0.00 0.00 -0.52 0.00 0.00 37.83 33.02 3hfm s LYS 107 CO 0.10 -1.77 0.00 -2.13 -0.92 0.00 0.00 175.35 170.63 3hfm n ARG 108 N 8.32 2.06 -4.18 1.68 0.63 -1.26 -4.49 116.66 119.42 3hfm n ARG 108 Ca 0.20 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.90 3hfm n ARG 108 Cb 0.47 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.32 3hfm n ARG 108 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3hfm s ALA 109 N -3.39 3.38 0.10 5.13 0.00 -1.26 -5.06 121.76 120.65 3hfm s ALA 109 Ca 0.00 -1.66 -0.31 0.00 0.00 0.00 0.00 51.96 49.99 3hfm s ALA 109 Cb 0.00 -0.88 -0.07 0.00 0.00 0.00 0.00 23.12 22.17 3hfm s ALA 109 CO 0.00 0.18 1.32 -0.51 0.00 0.00 0.00 175.76 176.75 3hfm s ASP 110 N -3.77 6.91 0.03 0.00 1.11 -1.26 -4.87 116.67 114.82 3hfm s ASP 110 Ca 0.34 2.22 0.02 0.00 0.18 0.00 0.00 52.55 55.31 3hfm s ASP 110 Cb -0.05 -2.58 -0.02 0.00 1.07 0.00 0.00 42.92 41.33 3hfm s ASP 110 CO 0.22 -0.59 -0.07 0.00 1.18 0.00 0.00 175.17 175.92 3hfm s ALA 111 N 1.09 0.49 0.00 5.23 0.00 -1.13 -5.06 121.76 122.39 3hfm s ALA 111 Ca 0.62 -0.59 -0.02 0.00 0.00 0.00 0.00 51.96 51.97 3hfm s ALA 111 Cb -0.34 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 3hfm s ALA 111 CO 0.30 0.01 0.19 0.00 0.00 0.00 0.00 175.76 176.25 3hfm s ALA 112 N -1.02 3.97 0.94 0.00 0.00 -1.26 -3.42 121.76 120.97 3hfm s ALA 112 Ca -0.07 -0.78 -0.11 0.00 0.00 0.00 0.00 51.96 51.01 3hfm s ALA 112 Cb -0.08 -1.87 0.15 0.00 0.00 0.00 0.00 23.12 21.32 3hfm s ALA 112 CO 0.00 0.76 1.07 -0.35 0.00 0.00 0.00 175.76 177.24 3hfm n PRO 113 N 0.81 -0.62 -3.60 0.00 -0.04 -1.26 -4.66 135.00 125.64 3hfm n PRO 113 Ca -0.10 -0.12 -0.29 0.00 -0.04 0.00 0.00 63.50 62.96 3hfm n PRO 113 Cb 0.52 -2.31 -0.12 0.00 -0.04 0.00 0.00 33.50 31.55 3hfm n PRO 113 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3hfm s THR 114 N -2.60 1.05 0.47 0.52 2.01 -0.96 -4.98 115.64 111.15 3hfm s THR 114 Ca 0.66 -2.63 -0.23 0.00 0.31 0.00 0.00 61.69 59.80 3hfm s THR 114 Cb -0.23 -1.73 -0.07 0.00 0.01 0.00 0.00 72.50 70.48 3hfm s THR 114 CO 0.59 -1.02 1.21 -0.69 -0.69 0.00 0.00 174.62 174.03 3hfm s VAL 115 N 0.19 2.87 -0.22 3.82 1.01 -1.25 -3.04 120.40 123.77 3hfm s VAL 115 Ca 0.23 0.66 -0.16 0.00 0.00 0.00 0.00 61.98 62.71 3hfm s VAL 115 Cb -0.14 -3.34 0.06 0.00 0.00 0.00 0.00 36.38 32.96 3hfm s VAL 115 CO -0.07 0.00 0.56 -0.44 0.00 0.00 0.00 175.10 175.15 3hfm s SER 116 N -1.23 -0.67 0.27 3.32 0.01 0.22 -4.95 113.70 110.67 3hfm s SER 116 Ca 0.65 1.19 0.10 0.00 1.31 0.00 0.00 55.95 59.19 3hfm s SER 116 Cb -0.32 1.13 -0.04 0.00 0.21 0.00 0.00 66.02 67.00 3hfm s SER 116 CO 0.38 -0.21 -0.03 -0.51 0.41 0.00 0.00 173.24 173.28 3hfm s ILE 117 N 0.92 3.24 -0.29 1.44 2.07 -1.26 0.90 121.20 128.21 3hfm s ILE 117 Ca -0.05 -2.00 -0.05 0.00 -1.41 0.00 0.00 60.65 57.14 3hfm s ILE 117 Cb -0.05 -2.75 0.16 0.00 0.13 0.00 0.00 42.46 39.94 3hfm s ILE 117 CO -0.08 -0.37 0.61 -0.36 -1.91 0.00 0.00 174.94 172.83 3hfm s PHE 118 N -2.37 -1.42 0.74 3.50 0.08 -0.97 -4.99 117.98 112.56 3hfm s PHE 118 Ca 0.31 1.96 -0.12 0.00 0.12 0.00 0.00 56.93 59.20 3hfm s PHE 118 Cb -0.06 0.65 0.04 0.00 -0.57 0.00 0.00 43.02 43.08 3hfm s PHE 118 CO 0.19 -0.76 1.10 -2.14 -0.10 0.00 0.00 175.22 173.51 3hfm s PRO 119 N 2.85 2.42 -0.08 0.24 0.02 -1.26 -1.77 135.00 137.42 3hfm s PRO 119 Ca 0.07 1.26 -0.40 0.00 0.02 0.00 0.00 61.00 61.95 3hfm s PRO 119 Cb -0.13 -1.91 -0.18 0.00 0.02 0.00 0.00 34.50 32.29 3hfm s PRO 119 CO -0.19 -1.53 1.33 -2.30 -0.33 0.00 0.00 177.00 173.98 3hfm n PRO 120 N -3.14 0.53 -1.26 5.54 -0.02 -1.08 -4.85 135.00 130.72 3hfm n PRO 120 Ca 0.10 0.19 -0.33 0.00 -2.02 0.00 0.00 63.50 61.43 3hfm n PRO 120 Cb 0.53 -1.76 0.11 0.00 -0.02 0.00 0.00 33.50 32.35 3hfm n PRO 120 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3hfm s SER 121 N 1.08 3.92 0.00 2.55 1.04 -1.26 -4.88 113.70 116.15 3hfm s SER 121 Ca 0.92 2.29 0.00 0.00 0.48 0.00 0.00 55.95 59.64 3hfm s SER 121 Cb -1.18 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 62.36 3hfm s SER 121 CO 0.59 -2.44 1.00 -1.20 0.98 0.00 0.00 173.24 172.16 3hfm n SER 122 N -3.10 0.00 0.27 7.02 7.64 -1.26 -2.18 113.62 122.00 3hfm n SER 122 Ca 0.13 1.00 0.14 0.00 1.01 0.00 0.00 58.87 61.14 3hfm n SER 122 Cb 0.51 -0.50 0.62 0.00 -1.01 0.00 0.00 64.21 63.83 3hfm n SER 122 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 3hfm h GLU 123 N 0.00 0.00 0.00 1.43 9.09 -2.01 0.34 114.58 123.43 3hfm h GLU 123 Ca 0.00 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.30 3hfm h GLU 123 Cb 0.00 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.08 3hfm h GLU 123 CO 0.00 0.00 -0.86 0.37 0.05 0.00 0.00 179.01 178.57 3hfm h GLN 124 N 0.00 0.00 -0.19 1.06 4.15 -1.80 -3.29 115.11 115.04 3hfm h GLN 124 Ca 0.05 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.27 3hfm h GLN 124 Cb 1.12 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.81 3hfm h GLN 124 CO -0.00 0.32 -0.68 -0.07 -1.93 0.00 0.00 178.83 176.46 3hfm h LEU 125 N 0.00 0.86 -0.44 -2.39 3.38 -0.15 -0.60 115.31 115.96 3hfm h LEU 125 Ca -0.06 -0.52 0.09 0.00 0.09 0.00 0.00 57.88 57.48 3hfm h LEU 125 Cb 1.38 -0.25 -0.10 0.00 0.09 0.00 0.00 40.66 41.78 3hfm h LEU 125 CO 0.04 1.30 -0.26 0.74 0.09 0.00 0.00 178.44 180.35 3hfm h THR 126 N 0.53 0.30 -0.58 0.22 2.02 -1.60 0.24 112.91 114.05 3hfm h THR 126 Ca -0.02 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.27 3hfm h THR 126 Cb 1.29 0.30 -0.11 0.00 -1.74 0.00 0.00 68.15 67.89 3hfm h THR 126 CO 0.14 0.00 -0.09 -1.28 0.37 0.00 0.00 175.52 174.66 3hfm h SER 127 N -0.17 -0.44 0.00 4.18 0.87 -1.66 -3.44 113.55 112.89 3hfm h SER 127 Ca 0.20 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 3hfm h SER 127 Cb 0.50 0.32 0.00 0.00 -0.44 0.00 0.00 62.40 62.78 3hfm h SER 127 CO -0.54 -0.16 0.00 0.61 -0.53 0.00 0.00 176.83 176.20 3hfm n GLY 128 N -1.38 1.40 2.32 5.77 0.00 0.85 -5.08 105.19 109.06 3hfm n GLY 128 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 3hfm n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hfm n GLY 129 N 0.00 0.37 0.00 -0.02 0.00 -0.24 -1.95 105.19 103.35 3hfm n GLY 129 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.07 3hfm n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hfm n ALA 130 N -3.03 0.00 -3.08 4.61 0.00 -1.19 -4.00 120.51 113.81 3hfm n ALA 130 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.95 3hfm n ALA 130 Cb 0.35 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.68 3hfm n ALA 130 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3hfm s SER 131 N 0.00 5.35 0.05 0.00 0.01 -1.26 -2.79 113.70 115.06 3hfm s SER 131 Ca 0.00 -0.87 -0.17 0.00 1.31 0.00 0.00 55.95 56.22 3hfm s SER 131 Cb 0.00 -1.92 -0.06 0.00 0.21 0.00 0.00 66.02 64.25 3hfm s SER 131 CO 0.00 -0.27 0.50 0.68 0.41 0.00 0.00 173.24 174.56 3hfm s VAL 132 N 1.50 4.86 0.03 3.43 -7.23 -0.26 -2.63 120.40 120.09 3hfm s VAL 132 Ca 0.01 1.05 0.06 0.00 -1.81 0.00 0.00 61.98 61.30 3hfm s VAL 132 Cb -0.18 -3.82 -0.02 0.00 0.56 0.00 0.00 36.38 32.92 3hfm s VAL 132 CO 0.04 0.56 -0.18 -0.69 -0.31 0.00 0.00 175.10 174.51 3hfm s VAL 133 N -1.11 1.47 -0.13 1.32 1.01 -0.73 -0.90 120.40 121.33 3hfm s VAL 133 Ca 0.27 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 3hfm s VAL 133 Cb -0.18 -1.28 0.04 0.00 0.00 0.00 0.00 36.38 34.96 3hfm s VAL 133 CO 0.17 0.18 -0.01 0.00 0.00 0.00 0.00 175.10 175.44 3hfm s PHE 135 N 1.83 3.21 -0.69 0.00 2.99 0.26 -2.39 117.98 123.20 3hfm s PHE 135 Ca 0.02 -0.28 0.04 0.00 0.00 0.00 0.00 56.93 56.72 3hfm s PHE 135 Cb -0.14 -2.44 0.29 0.00 0.00 0.00 0.00 43.02 40.73 3hfm s PHE 135 CO -0.07 -0.37 0.94 1.28 -0.00 0.00 0.00 175.22 177.00 3hfm n LEU 136 N 5.07 4.44 -4.81 -0.37 4.77 -1.17 0.68 117.00 125.61 3hfm n LEU 136 Ca -0.13 -5.49 -0.33 0.00 -0.03 0.00 0.00 56.01 50.03 3hfm n LEU 136 Cb 0.50 -0.73 -0.03 0.00 -2.33 0.00 0.00 43.42 40.83 3hfm n LEU 136 CO 0.36 2.11 0.69 0.20 -1.33 0.00 0.00 177.39 179.42 3hfm s ASN 137 N -2.64 6.43 -0.86 -1.43 0.01 -1.17 -2.72 114.94 112.55 3hfm s ASN 137 Ca 0.42 1.79 -0.04 0.00 -0.71 0.00 0.00 52.86 54.31 3hfm s ASN 137 Cb 0.18 -2.54 -0.00 0.00 0.41 0.00 0.00 41.25 39.29 3hfm s ASN 137 CO -0.04 -0.72 0.69 0.59 -1.51 0.00 0.00 177.10 176.11 3hfm n ASN 138 N -1.20 -6.25 -2.69 -1.22 3.02 -1.20 -2.26 115.26 103.45 3hfm n ASN 138 Ca 0.08 -0.59 -0.08 0.00 -0.03 0.00 0.00 54.58 53.96 3hfm n ASN 138 Cb 0.53 -3.64 -0.01 0.00 -0.61 0.00 0.00 39.78 36.05 3hfm n ASN 138 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 3hfm n PHE 139 N -2.59 -0.02 0.00 3.10 1.16 -1.26 -4.47 117.46 113.38 3hfm n PHE 139 Ca -0.13 -0.63 0.00 0.00 -1.87 0.00 0.00 57.45 54.81 3hfm n PHE 139 Cb 0.59 -0.09 0.00 0.00 -1.61 0.00 0.00 39.48 38.37 3hfm n PHE 139 CO 0.00 0.00 0.00 0.98 -1.87 0.00 0.00 176.76 175.87 3hfm n TYR 140 N -0.43 0.00 -2.93 2.97 4.19 -1.22 0.41 117.16 120.14 3hfm n TYR 140 Ca -0.04 0.00 -0.31 0.00 3.31 0.00 0.00 57.90 60.85 3hfm n TYR 140 Cb 0.16 0.00 -0.04 0.00 0.49 0.00 0.00 39.34 39.95 3hfm n TYR 140 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 3hfm s PRO 141 N -0.54 3.87 0.09 2.98 0.04 -1.26 -2.84 135.00 137.34 3hfm s PRO 141 Ca 0.00 0.57 0.05 0.00 0.04 0.00 0.00 61.00 61.65 3hfm s PRO 141 Cb 0.00 -2.39 0.32 0.00 0.04 0.00 0.00 34.50 32.47 3hfm s PRO 141 CO 0.00 0.02 0.39 1.17 0.04 0.00 0.00 177.00 178.62 3hfm n LYS 142 N -0.98 -0.02 -1.36 4.56 4.81 -1.26 -4.50 118.16 119.42 3hfm n LYS 142 Ca 0.03 0.35 -0.33 0.00 -0.87 0.00 0.00 58.31 57.49 3hfm n LYS 142 Cb 0.54 -0.62 0.10 0.00 0.02 0.00 0.00 35.03 35.07 3hfm n LYS 142 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3hfm s ASP 143 N -4.90 4.17 0.00 3.14 1.01 -1.26 -5.03 116.67 113.80 3hfm s ASP 143 Ca -0.02 2.24 0.00 0.00 0.71 0.00 0.00 52.55 55.47 3hfm s ASP 143 Cb 0.08 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.44 3hfm s ASP 143 CO 0.20 -2.27 0.00 0.00 0.21 0.00 0.00 175.17 173.30 3hfm n ILE 144 N -2.95 0.00 -4.47 0.77 3.06 -1.26 -4.79 119.36 109.71 3hfm n ILE 144 Ca 0.12 0.00 -0.34 0.00 -2.50 0.00 0.00 62.75 60.03 3hfm n ILE 144 Cb 0.51 0.00 -0.10 0.00 0.54 0.00 0.00 39.64 40.59 3hfm n ILE 144 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 3hfm s ASN 145 N 0.00 5.00 -0.16 9.51 2.20 -1.01 -4.99 114.94 125.49 3hfm s ASN 145 Ca 0.00 0.07 0.02 0.00 -0.94 0.00 0.00 52.86 52.01 3hfm s ASN 145 Cb 0.00 -1.36 0.01 0.00 -2.00 0.00 0.00 41.25 37.90 3hfm s ASN 145 CO 0.00 0.37 -0.21 -0.69 -2.94 0.00 0.00 177.10 173.63 3hfm s VAL 146 N -0.82 2.07 0.28 3.54 1.01 -1.26 -1.02 120.40 124.20 3hfm s VAL 146 Ca 0.12 -0.96 0.11 0.00 0.00 0.00 0.00 61.98 61.26 3hfm s VAL 146 Cb -0.11 -1.84 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 3hfm s VAL 146 CO 0.02 0.54 -0.12 -0.54 0.00 0.00 0.00 175.10 175.00 3hfm s LYS 147 N 1.02 1.91 -0.06 2.72 -0.14 0.56 -5.00 119.74 120.76 3hfm s LYS 147 Ca -0.02 -1.64 0.03 0.00 -1.36 0.00 0.00 55.97 52.98 3hfm s LYS 147 Cb -0.14 -1.91 0.01 0.00 -1.68 0.00 0.00 37.83 34.10 3hfm s LYS 147 CO -0.07 0.34 -0.14 -1.58 -0.76 0.00 0.00 175.35 173.14 3hfm s TRP 148 N -2.44 1.54 -0.06 3.18 0.52 -1.26 -1.65 118.94 118.77 3hfm s TRP 148 Ca 0.31 -0.54 0.05 0.00 0.02 0.00 0.00 56.10 55.94 3hfm s TRP 148 Cb -0.05 -1.10 -0.00 0.00 -1.15 0.00 0.00 33.47 31.17 3hfm s TRP 148 CO 0.17 -0.25 -0.21 0.15 0.02 0.00 0.00 176.95 176.83 3hfm s LYS 149 N 0.47 2.33 -0.32 4.98 1.02 0.20 -1.05 119.74 127.37 3hfm s LYS 149 Ca -0.12 -0.76 -0.05 0.00 0.02 0.00 0.00 55.97 55.07 3hfm s LYS 149 Cb -0.14 -1.92 0.04 0.00 -0.52 0.00 0.00 37.83 35.28 3hfm s LYS 149 CO 0.04 0.26 0.07 0.96 -0.92 0.00 0.00 175.35 175.75 3hfm s ILE 150 N 0.09 3.55 0.00 2.17 -4.36 -1.15 0.21 121.20 121.72 3hfm s ILE 150 Ca -0.08 -1.13 0.00 0.00 -0.26 0.00 0.00 60.65 59.17 3hfm s ILE 150 Cb -0.14 -2.98 0.00 0.00 1.25 0.00 0.00 42.46 40.58 3hfm s ILE 150 CO 0.04 -0.11 0.00 0.47 0.24 0.00 0.00 174.94 175.59 3hfm n ASP 151 N 4.76 0.00 0.05 4.36 10.43 6.30 -3.92 116.55 138.54 3hfm n ASP 151 Ca -0.13 0.00 -0.03 0.00 2.57 0.00 0.00 54.79 57.20 3hfm n ASP 151 Cb 0.45 0.00 -0.02 0.00 1.84 0.00 0.00 41.12 43.39 3hfm n ASP 151 CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 3hfm h GLY 152 N 0.00 -0.79 -1.88 0.44 0.00 -1.91 -3.45 103.07 95.49 3hfm h GLY 152 Ca 0.00 0.35 -0.60 0.00 0.00 0.00 0.00 47.33 47.08 3hfm h GLY 152 CO 0.00 -0.28 -0.59 -0.56 0.00 0.00 0.00 176.54 175.11 3hfm s SER 153 N -2.61 4.08 0.27 0.19 0.01 -1.25 -4.92 113.70 109.46 3hfm s SER 153 Ca -0.03 -1.17 -0.06 0.00 1.31 0.00 0.00 55.95 56.00 3hfm s SER 153 Cb 0.01 -0.45 -0.05 0.00 0.21 0.00 0.00 66.02 65.74 3hfm s SER 153 CO 0.10 -0.39 -0.18 -0.62 0.41 0.00 0.00 173.24 172.57 3hfm n GLU 154 N -1.01 0.00 0.00 12.44 1.02 -1.25 -2.91 120.64 128.92 3hfm n GLU 154 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 3hfm n GLU 154 Cb 0.65 -0.34 0.00 0.00 -0.02 0.00 0.00 31.44 31.72 3hfm n GLU 154 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hfm n ARG 155 N 0.71 0.00 0.00 3.49 5.12 -0.21 -4.72 116.66 121.05 3hfm n ARG 155 Ca 0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 3hfm n ARG 155 Cb 0.18 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.48 3hfm n ARG 155 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3hfm n GLN 156 N 0.00 0.00 0.01 5.56 10.64 -1.26 -4.99 117.38 127.34 3hfm n GLN 156 Ca 0.00 0.00 -0.03 0.00 -1.83 0.00 0.00 57.00 55.14 3hfm n GLN 156 Cb 0.00 0.00 -0.10 0.00 -0.86 0.00 0.00 30.24 29.28 3hfm n GLN 156 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3hfm n ASN 157 N 0.00 0.88 0.00 2.61 4.13 -1.26 -4.09 115.26 117.53 3hfm n ASN 157 Ca 0.00 0.40 0.00 0.00 1.68 0.00 0.00 54.58 56.66 3hfm n ASN 157 Cb 0.00 0.06 0.01 0.00 -1.54 0.00 0.00 39.78 38.31 3hfm n ASN 157 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hfm n GLY 158 N 1.45 -0.26 3.77 7.41 0.00 -1.26 -4.73 105.19 111.57 3hfm n GLY 158 Ca -0.12 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 3hfm n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hfm s VAL 159 N -2.49 3.06 -0.46 1.61 0.11 -1.26 -3.14 120.40 117.84 3hfm s VAL 159 Ca 0.00 0.66 0.07 0.00 -2.93 0.00 0.00 61.98 59.79 3hfm s VAL 159 Cb 0.00 -3.27 0.18 0.00 -1.53 0.00 0.00 36.38 31.76 3hfm s VAL 159 CO 0.01 -0.14 0.63 -0.22 -3.33 0.00 0.00 175.10 172.05 3hfm s LEU 160 N -3.82 -1.10 1.00 2.54 2.96 0.31 -4.96 118.68 115.61 3hfm s LEU 160 Ca 0.73 -1.53 -0.13 0.00 -0.22 0.00 0.00 54.13 52.98 3hfm s LEU 160 Cb -0.25 1.59 0.19 0.00 0.50 0.00 0.00 46.19 48.22 3hfm s LEU 160 CO 0.28 -0.12 1.10 0.20 -1.32 0.00 0.00 176.35 176.49 3hfm s ASN 161 N 1.17 2.62 0.00 3.68 0.01 -1.26 -0.27 114.94 120.88 3hfm s ASN 161 Ca 0.25 1.11 0.00 0.00 -0.71 0.00 0.00 52.86 53.51 3hfm s ASN 161 Cb -0.02 -1.75 0.00 0.00 0.41 0.00 0.00 41.25 39.88 3hfm s ASN 161 CO -0.07 -3.13 0.00 -0.24 -1.51 0.00 0.00 177.10 172.16 3hfm n SER 162 N -4.16 0.00 -4.92 -1.22 2.88 -1.20 -4.83 113.62 100.17 3hfm n SER 162 Ca 0.05 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.33 3hfm n SER 162 Cb 0.58 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 64.10 3hfm n SER 162 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 3hfm s TRP 163 N 0.00 2.96 0.39 0.66 0.52 -1.26 -0.93 118.94 121.28 3hfm s TRP 163 Ca 0.00 0.51 0.05 0.00 0.02 0.00 0.00 56.10 56.68 3hfm s TRP 163 Cb 0.00 -3.18 -0.06 0.00 -1.15 0.00 0.00 33.47 29.07 3hfm s TRP 163 CO 0.00 -1.39 0.03 0.95 0.02 0.00 0.00 176.95 176.56 3hfm s THR 164 N -3.26 1.56 0.47 2.01 -4.23 -1.07 -4.94 115.64 106.17 3hfm s THR 164 Ca 0.60 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 59.03 3hfm s THR 164 Cb -0.11 -2.81 -0.05 0.00 1.34 0.00 0.00 72.50 70.88 3hfm s THR 164 CO 0.45 0.00 0.80 -1.81 -0.54 0.00 0.00 174.62 173.53 3hfm s ASP 165 N -3.65 6.35 0.75 3.99 1.01 -1.26 -4.87 116.67 118.99 3hfm s ASP 165 Ca 0.32 1.05 -0.16 0.00 0.71 0.00 0.00 52.55 54.46 3hfm s ASP 165 Cb 0.08 -2.29 -0.08 0.00 1.01 0.00 0.00 42.92 41.64 3hfm s ASP 165 CO 0.15 -0.54 0.08 1.67 0.21 0.00 0.00 175.17 176.75 3hfm n GLN 166 N -1.95 0.12 -3.16 8.23 7.27 -1.26 -4.90 117.38 121.73 3hfm n GLN 166 Ca 0.02 0.06 -0.39 0.00 0.07 0.00 0.00 57.00 56.76 3hfm n GLN 166 Cb 0.55 -1.46 -0.05 0.00 2.41 0.00 0.00 30.24 31.68 3hfm n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3hfm s ASP 167 N -1.31 7.00 0.00 1.69 3.68 -0.37 -4.95 116.67 122.42 3hfm s ASP 167 Ca 0.57 1.20 0.00 0.00 2.13 0.00 0.00 52.55 56.45 3hfm s ASP 167 Cb -0.34 -2.38 0.00 0.00 -1.45 0.00 0.00 42.92 38.75 3hfm s ASP 167 CO 0.66 0.06 0.20 -1.54 0.13 0.00 0.00 175.17 174.68 3hfm n SER 168 N 2.90 0.31 0.00 -0.34 3.41 -1.26 -3.06 113.62 115.58 3hfm n SER 168 Ca -0.05 -0.71 0.00 0.00 -0.26 0.00 0.00 58.87 57.85 3hfm n SER 168 Cb 0.51 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 3hfm n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hfm n LYS 169 N 0.22 0.00 -2.28 4.33 4.76 -1.26 -4.97 118.16 118.96 3hfm n LYS 169 Ca 0.00 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.13 3hfm n LYS 169 Cb 0.08 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.28 3hfm n LYS 169 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3hfm n ASP 170 N 0.00 5.62 -1.35 4.39 -0.08 -1.25 -4.91 116.55 118.96 3hfm n ASP 170 Ca 0.00 -3.76 -0.05 0.00 -1.51 0.00 0.00 54.79 49.47 3hfm n ASP 170 Cb 0.00 -0.65 -0.02 0.00 2.34 0.00 0.00 41.12 42.79 3hfm n ASP 170 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 3hfm n SER 171 N -0.51 -1.52 -4.86 1.67 7.64 -1.17 -4.89 113.62 109.97 3hfm n SER 171 Ca 0.44 0.17 -0.31 0.00 1.01 0.00 0.00 58.87 60.18 3hfm n SER 171 Cb 0.54 -1.67 0.02 0.00 -1.01 0.00 0.00 64.21 62.10 3hfm n SER 171 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3hfm s THR 172 N -1.57 4.46 0.00 0.44 -1.32 -1.26 -4.63 115.64 111.75 3hfm s THR 172 Ca 0.00 0.80 0.00 0.00 -1.21 0.00 0.00 61.69 61.28 3hfm s THR 172 Cb 0.00 -3.74 0.00 0.00 -1.51 0.00 0.00 72.50 67.25 3hfm s THR 172 CO 0.00 -1.04 0.00 -1.22 -2.21 0.00 0.00 174.62 170.15 3hfm n TYR 173 N -2.85 0.00 0.00 9.09 4.01 1.35 -1.24 117.16 127.52 3hfm n TYR 173 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 3hfm n TYR 173 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.57 3hfm n TYR 173 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3hfm n SER 174 N 0.00 0.00 -4.02 7.72 7.64 -1.26 -3.24 113.62 120.45 3hfm n SER 174 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.72 3hfm n SER 174 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 3hfm n SER 174 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hfm s MET 175 N -3.75 1.44 0.27 1.43 0.23 -1.10 -2.60 119.30 115.21 3hfm s MET 175 Ca 0.00 -1.80 0.02 0.00 -1.03 0.00 0.00 55.69 52.88 3hfm s MET 175 Cb 0.00 0.08 -0.01 0.00 -1.53 0.00 0.00 34.83 33.38 3hfm s MET 175 CO 0.00 -0.43 0.06 0.45 -2.03 0.00 0.00 175.02 173.07 3hfm n SER 176 N -0.70 1.60 0.00 -1.18 2.88 -0.11 -3.02 113.62 113.09 3hfm n SER 176 Ca 0.02 -2.34 0.00 0.00 -1.33 0.00 0.00 58.87 55.22 3hfm n SER 176 Cb 0.65 0.52 0.00 0.00 -0.75 0.00 0.00 64.21 64.63 3hfm n SER 176 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3hfm n SER 177 N -1.58 0.00 -4.56 -3.46 2.88 -1.00 -3.22 113.62 102.67 3hfm n SER 177 Ca -0.06 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.16 3hfm n SER 177 Cb 0.38 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.73 3hfm n SER 177 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 3hfm s THR 178 N 0.00 3.45 -0.10 2.46 2.01 0.63 -0.49 115.64 123.60 3hfm s THR 178 Ca 0.00 -0.87 0.04 0.00 0.31 0.00 0.00 61.69 61.16 3hfm s THR 178 Cb 0.00 -2.49 -0.00 0.00 0.01 0.00 0.00 72.50 70.01 3hfm s THR 178 CO 0.00 0.38 -0.23 -0.22 -0.69 0.00 0.00 174.62 173.86 3hfm s LEU 179 N -1.44 2.16 -0.06 4.42 2.96 -0.07 0.11 118.68 126.77 3hfm s LEU 179 Ca 0.17 -0.53 -0.01 0.00 -0.22 0.00 0.00 54.13 53.54 3hfm s LEU 179 Cb -0.11 -1.43 0.03 0.00 0.50 0.00 0.00 46.19 45.18 3hfm s LEU 179 CO 0.07 0.17 0.00 0.42 -1.32 0.00 0.00 176.35 175.69 3hfm s THR 180 N 0.30 0.28 0.04 3.68 -4.23 -1.19 -1.10 115.64 113.43 3hfm s THR 180 Ca -0.17 0.13 -0.11 0.00 -1.18 0.00 0.00 61.69 60.36 3hfm s THR 180 Cb -0.17 -0.43 0.01 0.00 1.34 0.00 0.00 72.50 73.25 3hfm s THR 180 CO 0.08 0.22 0.23 -1.48 -0.54 0.00 0.00 174.62 173.13 3hfm s LEU 181 N 1.69 1.21 0.85 4.79 2.34 -1.12 -4.86 118.68 123.57 3hfm s LEU 181 Ca 0.00 -0.31 -0.10 0.00 0.06 0.00 0.00 54.13 53.77 3hfm s LEU 181 Cb -0.13 1.08 0.10 0.00 -0.56 0.00 0.00 46.19 46.69 3hfm s LEU 181 CO -0.04 -0.58 1.11 0.42 -1.06 0.00 0.00 176.35 176.21 3hfm s THR 182 N -2.57 2.76 0.27 5.48 -4.23 -1.26 -3.18 115.64 112.90 3hfm s THR 182 Ca -0.05 0.25 -0.03 0.00 -1.18 0.00 0.00 61.69 60.68 3hfm s THR 182 Cb -0.01 -2.54 0.27 0.00 1.34 0.00 0.00 72.50 71.56 3hfm s THR 182 CO -0.04 -0.32 1.90 0.50 -0.54 0.00 0.00 174.62 176.12 3hfm h LYS 183 N -1.49 1.18 -0.00 3.99 3.64 -1.53 -1.94 116.57 120.41 3hfm h LYS 183 Ca -0.44 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 3hfm h LYS 183 Cb 1.25 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 3hfm h LYS 183 CO 0.48 0.78 -0.03 -0.25 -2.27 0.00 0.00 179.45 178.16 3hfm n ASP 184 N -4.47 0.17 -0.25 4.20 10.43 -1.26 -2.69 116.55 122.68 3hfm n ASP 184 Ca 0.14 -0.48 0.03 0.00 2.57 0.00 0.00 54.79 57.05 3hfm n ASP 184 Cb 0.14 -0.16 0.04 0.00 1.84 0.00 0.00 41.12 42.98 3hfm n ASP 184 CO 0.00 0.00 0.00 -1.84 -1.07 0.00 0.00 177.20 174.29 3hfm n GLU 185 N -1.09 0.46 -0.06 -1.24 0.28 -1.04 -4.50 120.64 113.45 3hfm n GLU 185 Ca 0.16 -1.04 -0.04 0.00 -0.16 0.00 0.00 57.16 56.08 3hfm n GLU 185 Cb 0.23 -1.12 -0.03 0.00 1.43 0.00 0.00 31.44 31.95 3hfm n GLU 185 CO 0.00 0.00 0.00 -0.92 -0.16 0.00 0.00 177.13 176.05 3hfm h TYR 186 N 1.12 0.00 -1.19 -1.84 -0.00 -1.14 -3.39 116.97 110.52 3hfm h TYR 186 Ca 0.00 0.00 -0.59 0.00 -0.00 0.00 0.00 58.73 58.14 3hfm h TYR 186 Cb 0.32 0.00 -0.23 0.00 -0.00 0.00 0.00 36.73 36.82 3hfm h TYR 186 CO 0.03 0.20 0.72 0.39 -0.00 0.00 0.00 178.16 179.50 3hfm n GLU 187 N -4.71 2.46 -0.01 1.82 1.02 -1.21 -3.88 120.64 116.14 3hfm n GLU 187 Ca -0.04 -2.78 0.04 0.00 -0.02 0.00 0.00 57.16 54.35 3hfm n GLU 187 Cb 0.15 -2.11 0.04 0.00 -0.02 0.00 0.00 31.44 29.50 3hfm n GLU 187 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3hfm n ARG 188 N -0.14 0.36 -2.71 3.49 0.63 -1.26 -4.93 116.66 112.11 3hfm n ARG 188 Ca 0.51 -1.06 -0.07 0.00 -0.92 0.00 0.00 57.85 56.30 3hfm n ARG 188 Cb 0.50 -1.16 -0.02 0.00 0.45 0.00 0.00 32.46 32.23 3hfm n ARG 188 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3hfm n HIS 189 N 0.44 -0.11 0.00 -0.14 8.25 -1.25 -5.09 115.22 117.32 3hfm n HIS 189 Ca 0.05 -0.84 0.00 0.00 -0.26 0.00 0.00 57.72 56.68 3hfm n HIS 189 Cb 0.22 0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.37 3hfm n HIS 189 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3hfm n ASN 190 N -2.26 0.00 -4.30 0.41 4.05 -1.26 -4.89 115.26 107.01 3hfm n ASN 190 Ca 0.00 0.00 -0.38 0.00 0.45 0.00 0.00 54.58 54.65 3hfm n ASN 190 Cb 0.19 0.00 -0.12 0.00 1.23 0.00 0.00 39.78 41.07 3hfm n ASN 190 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 3hfm s SER 191 N -1.02 5.33 -0.23 1.20 0.01 -1.26 0.22 113.70 117.95 3hfm s SER 191 Ca 0.00 -1.05 -0.06 0.00 1.31 0.00 0.00 55.95 56.15 3hfm s SER 191 Cb 0.00 -1.89 -0.02 0.00 0.21 0.00 0.00 66.02 64.32 3hfm s SER 191 CO 0.00 -0.31 0.04 -0.31 0.41 0.00 0.00 173.24 173.07 3hfm s TYR 192 N 1.44 3.06 -0.02 2.43 2.02 -1.09 0.97 117.35 126.15 3hfm s TYR 192 Ca -0.01 -0.50 0.03 0.00 -0.37 0.00 0.00 57.07 56.23 3hfm s TYR 192 Cb -0.19 -2.18 -0.00 0.00 -0.40 0.00 0.00 41.96 39.19 3hfm s TYR 192 CO 0.03 -0.35 -0.13 -0.08 -1.57 0.00 0.00 175.55 173.46 3hfm s THR 193 N 1.42 1.04 -0.81 -0.71 -1.32 0.57 -3.19 115.64 112.64 3hfm s THR 193 Ca 0.05 -0.52 0.01 0.00 -1.21 0.00 0.00 61.69 60.02 3hfm s THR 193 Cb -0.15 -0.89 0.21 0.00 -1.51 0.00 0.00 72.50 70.16 3hfm s THR 193 CO 0.02 0.31 0.71 0.00 -2.21 0.00 0.00 174.62 173.45 3hfm s GLU 195 N -1.60 3.84 -0.01 0.00 -1.05 -0.66 -3.73 118.70 115.48 3hfm s GLU 195 Ca 0.28 0.40 -0.05 0.00 -0.15 0.00 0.00 54.97 55.45 3hfm s GLU 195 Cb -0.03 -2.53 0.00 0.00 -0.44 0.00 0.00 34.13 31.13 3hfm s GLU 195 CO -0.12 0.19 0.11 0.00 0.95 0.00 0.00 175.26 176.39 3hfm s ALA 196 N -2.01 -0.26 -0.09 -0.84 0.00 -1.16 -0.32 121.76 117.08 3hfm s ALA 196 Ca 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.45 3hfm s ALA 196 Cb -0.11 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.03 3hfm s ALA 196 CO 0.23 -0.14 -0.07 -0.08 0.00 0.00 0.00 175.76 175.69 3hfm s THR 197 N -0.82 0.92 0.45 0.00 -1.32 -0.19 -1.67 115.64 113.00 3hfm s THR 197 Ca -0.09 -0.26 0.03 0.00 -1.21 0.00 0.00 61.69 60.16 3hfm s THR 197 Cb -0.05 -0.93 -0.04 0.00 -1.51 0.00 0.00 72.50 69.97 3hfm s THR 197 CO 0.01 0.34 0.03 -2.28 -2.21 0.00 0.00 174.62 170.51 3hfm s HIS 198 N 1.45 2.02 0.15 9.09 2.46 -1.26 -2.40 115.29 126.80 3hfm s HIS 198 Ca -0.01 -0.95 -0.11 0.00 0.47 0.00 0.00 55.06 54.46 3hfm s HIS 198 Cb -0.13 -1.54 -0.00 0.00 -0.13 0.00 0.00 32.58 30.78 3hfm s HIS 198 CO -0.05 0.16 1.54 -0.22 -2.47 0.00 0.00 174.74 173.71 3hfm h LYS 199 N 1.61 0.94 -1.08 2.88 3.64 -1.93 -3.17 116.57 119.45 3hfm h LYS 199 Ca -0.42 -0.39 0.37 0.00 -1.27 0.00 0.00 60.65 58.93 3hfm h LYS 199 Cb 1.28 -0.04 -0.15 0.00 -0.41 0.00 0.00 32.23 32.92 3hfm h LYS 199 CO 0.72 1.05 0.64 1.15 -2.27 0.00 0.00 179.45 180.74 3hfm h THR 200 N 0.78 0.21 -4.85 1.00 2.02 -1.89 -3.43 112.91 106.75 3hfm h THR 200 Ca 0.11 -0.07 -0.52 0.00 0.77 0.00 0.00 66.41 66.70 3hfm h THR 200 Cb 0.75 -0.01 -0.12 0.00 -1.74 0.00 0.00 68.15 67.02 3hfm h THR 200 CO 0.06 0.04 -0.46 -1.54 0.37 0.00 0.00 175.52 173.99 3hfm n SER 201 N -4.98 0.54 -0.49 4.18 3.41 -1.20 -5.01 113.62 110.07 3hfm n SER 201 Ca 0.34 -3.15 0.06 0.00 -0.26 0.00 0.00 58.87 55.86 3hfm n SER 201 Cb 1.15 1.24 0.15 0.00 -0.26 0.00 0.00 64.21 66.49 3hfm n SER 201 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3hfm n THR 202 N -0.80 1.49 -3.68 6.66 -2.24 -1.26 -4.67 114.28 109.78 3hfm n THR 202 Ca -0.01 -1.44 -0.10 0.00 -2.27 0.00 0.00 64.05 60.24 3hfm n THR 202 Cb 0.60 0.18 -0.09 0.00 -2.10 0.00 0.00 70.33 68.91 3hfm n THR 202 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3hfm s SER 203 N -1.54 -0.67 0.57 3.42 0.01 -1.26 -5.16 113.70 109.07 3hfm s SER 203 Ca 0.25 1.13 -0.19 0.00 1.31 0.00 0.00 55.95 58.45 3hfm s SER 203 Cb 0.18 1.02 -0.07 0.00 0.21 0.00 0.00 66.02 67.37 3hfm s SER 203 CO 0.09 -0.21 0.76 -2.65 0.41 0.00 0.00 173.24 171.64 3hfm n PRO 204 N 4.07 0.73 -3.13 12.44 -0.02 -1.26 -4.92 135.00 142.91 3hfm n PRO 204 Ca -0.21 0.28 -0.43 0.00 -2.02 0.00 0.00 63.50 61.13 3hfm n PRO 204 Cb 0.57 -1.94 -0.07 0.00 -0.02 0.00 0.00 33.50 32.04 3hfm n PRO 204 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hfm s ILE 205 N -1.59 4.85 -0.40 4.25 -1.09 -0.67 -4.97 121.20 121.58 3hfm s ILE 205 Ca 0.72 0.05 -0.08 0.00 -2.23 0.00 0.00 60.65 59.10 3hfm s ILE 205 Cb -0.44 -4.19 0.07 0.00 -1.58 0.00 0.00 42.46 36.32 3hfm s ILE 205 CO 0.51 -0.59 0.23 -0.69 -1.23 0.00 0.00 174.94 173.17 3hfm s VAL 206 N 2.75 4.12 -0.44 2.92 1.01 -1.26 -3.01 120.40 126.49 3hfm s VAL 206 Ca 0.21 -1.37 -0.09 0.00 0.00 0.00 0.00 61.98 60.74 3hfm s VAL 206 Cb -0.15 -3.50 0.10 0.00 0.00 0.00 0.00 36.38 32.84 3hfm s VAL 206 CO 0.18 -0.45 0.29 -0.54 0.00 0.00 0.00 175.10 174.58 3hfm s LYS 207 N 1.41 2.51 0.50 2.72 -0.14 -1.24 -5.02 119.74 120.47 3hfm s LYS 207 Ca 0.02 -1.62 0.01 0.00 -1.36 0.00 0.00 55.97 53.03 3hfm s LYS 207 Cb -0.22 -3.83 -0.01 0.00 -1.68 0.00 0.00 37.83 32.09 3hfm s LYS 207 CO 0.02 -1.07 0.03 0.45 -0.76 0.00 0.00 175.35 174.02 3hfm s SER 208 N 2.34 3.91 -0.01 2.83 0.15 -1.26 -2.90 113.70 118.75 3hfm s SER 208 Ca 0.04 -1.69 -0.29 0.00 0.70 0.00 0.00 55.95 54.71 3hfm s SER 208 Cb -0.24 0.61 0.10 0.00 -1.71 0.00 0.00 66.02 64.78 3hfm s SER 208 CO 0.00 -0.91 0.97 0.72 1.20 0.00 0.00 173.24 175.22 3hfm s PHE 209 N -2.95 -0.27 0.02 3.44 -0.12 -1.19 -5.02 117.98 111.90 3hfm s PHE 209 Ca 0.07 0.12 0.06 0.00 -0.05 0.00 0.00 56.93 57.13 3hfm s PHE 209 Cb 0.01 0.55 -0.02 0.00 -0.63 0.00 0.00 43.02 42.93 3hfm s PHE 209 CO 0.04 -0.52 -0.18 0.54 -0.05 0.00 0.00 175.22 175.05 3hfm s ASN 210 N -2.52 2.10 -0.59 1.98 2.20 -1.25 -2.66 114.94 114.20 3hfm s ASN 210 Ca 0.07 -0.44 -0.26 0.00 -0.94 0.00 0.00 52.86 51.29 3hfm s ASN 210 Cb -0.01 -0.18 -0.06 0.00 -2.00 0.00 0.00 41.25 39.00 3hfm s ASN 210 CO -0.07 0.14 2.18 0.00 -2.94 0.00 0.00 177.10 176.42 3hfm s ARG 211 N -0.92 2.26 -0.07 3.55 1.70 0.61 -4.60 118.95 121.48 3hfm s ARG 211 Ca 0.06 0.92 0.15 0.00 -0.47 0.00 0.00 55.73 56.38 3hfm s ARG 211 Cb -0.08 -4.57 0.48 0.00 -0.57 0.00 0.00 34.95 30.21 3hfm s ARG 211 CO 0.01 -3.21 1.40 0.27 -1.08 0.00 0.00 175.30 172.69 3hfm n ASN 212 N 14.94 3.66 -0.02 -2.89 0.23 -1.26 -4.96 115.26 124.95 3hfm n ASN 212 Ca 0.32 -2.38 0.00 0.00 -0.53 0.00 0.00 54.58 51.99 3hfm n ASN 212 Cb 0.52 -0.41 0.00 0.00 -2.08 0.00 0.00 39.78 37.81 3hfm n ASN 212 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 3hfm n GLU 213 N 0.43 0.00 0.00 -3.83 2.13 -1.26 -5.32 120.64 112.79 3hfm n GLU 213 Ca 0.18 0.00 0.16 0.00 0.66 0.00 0.00 57.16 58.16 3hfm n GLU 213 Cb 0.67 0.00 0.92 0.00 0.27 0.00 0.00 31.44 33.30 3hfm n GLU 213 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72