#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fnt s SER 2 N 0.00 -0.85 0.34 8.00 0.01 -1.26 -1.17 113.70 118.77 1fnt s SER 2 Ca 0.00 0.01 0.03 0.00 1.31 0.00 0.00 55.95 57.31 1fnt s SER 2 Cb 0.00 1.46 -0.04 0.00 0.21 0.00 0.00 66.02 67.65 1fnt s SER 2 CO 0.00 -0.15 0.12 0.27 0.41 0.00 0.00 173.24 173.90 1fnt s ILE 3 N 2.74 0.62 0.00 1.44 -4.36 0.98 -2.80 121.20 119.82 1fnt s ILE 3 Ca 0.20 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.59 1fnt s ILE 3 Cb -0.04 -2.52 0.00 0.00 1.25 0.00 0.00 42.46 41.15 1fnt s ILE 3 CO -0.22 0.00 0.00 1.15 0.24 0.00 0.00 174.94 176.11 1fnt n MET 4 N -0.71 -0.67 -3.68 0.37 0.00 -1.05 -1.57 117.12 109.81 1fnt n MET 4 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 57.58 1fnt n MET 4 Cb 0.65 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.78 1fnt n MET 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1fnt s ALA 5 N -2.00 -1.28 -0.05 3.17 0.00 -0.85 -2.06 121.76 118.68 1fnt s ALA 5 Ca 0.00 1.70 0.04 0.00 0.00 0.00 0.00 51.96 53.71 1fnt s ALA 5 Cb 0.00 -1.02 -0.00 0.00 0.00 0.00 0.00 23.12 22.10 1fnt s ALA 5 CO 0.00 -0.28 -0.18 0.08 0.00 0.00 0.00 175.76 175.37 1fnt s VAL 6 N 1.18 1.54 0.16 0.00 1.01 -0.38 -2.38 120.40 121.52 1fnt s VAL 6 Ca -0.07 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.14 1fnt s VAL 6 Cb -0.06 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 1fnt s VAL 6 CO -0.11 0.44 0.32 0.42 0.00 0.00 0.00 175.10 176.17 1fnt s THR 7 N 0.08 5.28 0.00 3.92 -4.23 -1.22 -0.77 115.64 118.71 1fnt s THR 7 Ca -0.06 -0.50 0.00 0.00 -1.18 0.00 0.00 61.69 59.96 1fnt s THR 7 Cb -0.13 -3.72 0.00 0.00 1.34 0.00 0.00 72.50 69.99 1fnt s THR 7 CO 0.03 -0.09 0.00 2.22 -0.54 0.00 0.00 174.62 176.24 1fnt n PHE 8 N -0.47 0.00 0.04 3.99 -1.74 0.20 -4.57 117.46 114.91 1fnt n PHE 8 Ca -0.06 0.00 0.02 0.00 -0.56 0.00 0.00 57.45 56.86 1fnt n PHE 8 Cb 0.53 0.00 0.38 0.00 1.52 0.00 0.00 39.48 41.91 1fnt n PHE 8 CO 0.00 0.00 0.00 0.87 -0.56 0.00 0.00 176.76 177.07 1fnt h LYS 9 N 0.00 0.44 -0.02 3.97 1.57 -1.89 -2.97 116.57 117.66 1fnt h LYS 9 Ca 0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1fnt h LYS 9 Cb 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1fnt h LYS 9 CO 0.00 0.42 -0.19 -0.25 -0.57 0.00 0.00 179.45 178.86 1fnt n ASP 10 N -4.36 2.60 0.00 0.86 8.00 -1.26 -5.05 116.55 117.34 1fnt n ASP 10 Ca 0.01 -1.80 0.00 0.00 0.71 0.00 0.00 54.79 53.71 1fnt n ASP 10 Cb 0.18 0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 1fnt n ASP 10 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fnt n GLY 11 N 1.37 0.40 3.58 0.44 0.00 -1.12 -4.07 105.19 105.78 1fnt n GLY 11 Ca 0.12 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 1fnt n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fnt s VAL 12 N 0.00 0.00 -0.01 1.61 0.11 -1.22 -0.63 120.40 120.26 1fnt s VAL 12 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1fnt s VAL 12 Cb 0.00 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 1fnt s VAL 12 CO 0.00 0.00 0.00 -0.63 -3.33 0.00 0.00 175.10 171.14 1fnt s ILE 13 N -0.92 0.04 -0.01 7.04 1.01 0.05 -2.88 121.20 125.53 1fnt s ILE 13 Ca -0.02 0.06 0.06 0.00 0.00 0.00 0.00 60.65 60.75 1fnt s ILE 13 Cb -0.01 -0.09 -0.03 0.00 0.01 0.00 0.00 42.46 42.34 1fnt s ILE 13 CO 0.01 0.05 -0.20 -1.48 0.00 0.00 0.00 174.94 173.32 1fnt s LEU 14 N 0.42 2.45 0.05 2.97 0.05 -1.16 -1.25 118.68 122.21 1fnt s LEU 14 Ca -0.04 -0.37 -0.04 0.00 0.05 0.00 0.00 54.13 53.73 1fnt s LEU 14 Cb -0.06 -1.46 -0.02 0.00 -2.05 0.00 0.00 46.19 42.60 1fnt s LEU 14 CO -0.01 0.31 0.05 -0.83 -0.55 0.00 0.00 176.35 175.32 1fnt s GLY 15 N -0.93 0.26 0.29 -3.48 0.00 -0.88 -1.61 107.32 100.97 1fnt s GLY 15 Ca 0.12 -0.77 -0.20 0.00 0.00 0.00 0.00 44.72 43.87 1fnt s GLY 15 CO 0.01 -0.90 0.72 0.00 0.00 0.00 0.00 173.10 172.94 1fnt s ALA 16 N -3.05 -1.14 1.00 3.20 0.00 -1.02 -2.52 121.76 118.23 1fnt s ALA 16 Ca -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.58 1fnt s ALA 16 Cb 0.01 0.84 0.00 0.00 0.00 0.00 0.00 23.12 23.97 1fnt s ALA 16 CO -0.07 -1.03 0.00 -0.40 0.00 0.00 0.00 175.76 174.26 1fnt n ASP 17 N -0.56 0.00 0.00 0.00 5.68 -1.12 -2.46 116.55 118.09 1fnt n ASP 17 Ca -0.04 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.25 1fnt n ASP 17 Cb 0.59 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.57 1fnt n ASP 17 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1fnt n SER 18 N 0.00 0.93 -4.68 -1.12 3.41 -0.87 -4.53 113.62 106.77 1fnt n SER 18 Ca 0.00 -0.06 -0.42 0.00 -0.26 0.00 0.00 58.87 58.12 1fnt n SER 18 Cb 0.00 0.32 -0.03 0.00 -0.26 0.00 0.00 64.21 64.24 1fnt n SER 18 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1fnt s ARG 19 N -0.50 4.28 -0.17 4.33 3.52 -0.90 -0.98 118.95 128.53 1fnt s ARG 19 Ca 0.00 1.80 0.00 0.00 -0.13 0.00 0.00 55.73 57.40 1fnt s ARG 19 Cb 0.00 -3.67 0.03 0.00 -1.56 0.00 0.00 34.95 29.75 1fnt s ARG 19 CO 0.00 -0.61 -0.10 0.95 -0.81 0.00 0.00 175.30 174.73 1fnt s THR 20 N 2.87 1.44 -0.13 4.11 -4.23 -1.24 -3.49 115.64 114.96 1fnt s THR 20 Ca 0.59 -0.72 -0.01 0.00 -1.18 0.00 0.00 61.69 60.37 1fnt s THR 20 Cb -0.26 -1.47 -0.02 0.00 1.34 0.00 0.00 72.50 72.09 1fnt s THR 20 CO 0.21 0.28 -0.09 0.42 -0.54 0.00 0.00 174.62 174.90 1fnt s THR 21 N 1.51 3.40 -0.46 3.99 -4.23 -1.26 -1.69 115.64 116.90 1fnt s THR 21 Ca 0.02 -0.54 -0.13 0.00 -1.18 0.00 0.00 61.69 59.86 1fnt s THR 21 Cb -0.14 -2.45 0.09 0.00 1.34 0.00 0.00 72.50 71.33 1fnt s THR 21 CO -0.09 0.52 0.36 0.42 -0.54 0.00 0.00 174.62 175.29 1fnt s THR 22 N 0.27 4.81 0.00 3.99 -4.23 -0.22 -4.93 115.64 115.34 1fnt s THR 22 Ca -0.07 -1.29 0.00 0.00 -1.18 0.00 0.00 61.69 59.15 1fnt s THR 22 Cb -0.15 -3.94 0.00 0.00 1.34 0.00 0.00 72.50 69.75 1fnt s THR 22 CO 0.04 -0.61 0.00 0.61 -0.54 0.00 0.00 174.62 174.13 1fnt n GLY 23 N 5.09 0.89 0.87 3.99 0.00 -1.26 -2.19 105.19 112.58 1fnt n GLY 23 Ca -0.11 -0.76 0.03 0.00 0.00 0.00 0.00 46.02 45.17 1fnt n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fnt n ALA 24 N 6.33 2.86 -2.60 4.61 0.00 -1.26 -4.87 120.51 125.58 1fnt n ALA 24 Ca 0.00 -0.65 -0.30 0.00 0.00 0.00 0.00 53.44 52.49 1fnt n ALA 24 Cb 0.00 -1.03 -0.09 0.00 0.00 0.00 0.00 19.45 18.33 1fnt n ALA 24 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1fnt s TYR 25 N -1.65 2.78 -0.54 0.00 5.04 -0.93 -5.09 117.35 116.95 1fnt s TYR 25 Ca 0.20 -0.14 -0.20 0.00 -2.44 0.00 0.00 57.07 54.49 1fnt s TYR 25 Cb 0.14 -1.44 0.07 0.00 0.35 0.00 0.00 41.96 41.07 1fnt s TYR 25 CO 0.08 0.44 0.69 0.42 -1.34 0.00 0.00 175.55 175.83 1fnt s ILE 26 N -1.25 4.79 0.03 3.14 1.01 -1.26 -1.05 121.20 126.61 1fnt s ILE 26 Ca 0.22 -0.53 -0.26 0.00 0.00 0.00 0.00 60.65 60.08 1fnt s ILE 26 Cb -0.11 -4.38 -0.17 0.00 0.01 0.00 0.00 42.46 37.81 1fnt s ILE 26 CO 0.15 -0.94 1.39 0.00 0.00 0.00 0.00 174.94 175.54 1fnt h ALA 27 N 9.09 -0.33 -1.90 9.38 0.00 -1.68 -3.42 119.26 130.40 1fnt h ALA 27 Ca -0.28 -0.16 -0.27 0.00 0.00 0.00 0.00 54.91 54.20 1fnt h ALA 27 Cb 1.09 0.13 -0.31 0.00 0.00 0.00 0.00 17.79 18.70 1fnt h ALA 27 CO 1.02 -0.56 -0.60 1.21 0.00 0.00 0.00 179.25 180.32 1fnt s ASN 28 N -5.10 0.98 0.00 0.00 3.84 -1.25 -5.01 114.94 108.39 1fnt s ASN 28 Ca -0.15 -0.72 0.00 0.00 0.21 0.00 0.00 52.86 52.21 1fnt s ASN 28 Cb 0.03 0.81 0.00 0.00 -0.55 0.00 0.00 41.25 41.54 1fnt s ASN 28 CO 0.60 -0.35 0.47 -2.11 -2.79 0.00 0.00 177.10 172.91 1fnt n ARG 29 N 5.16 0.68 -3.19 0.43 1.85 -1.26 -3.60 116.66 116.73 1fnt n ARG 29 Ca 0.01 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.65 1fnt n ARG 29 Cb 0.48 -1.21 -0.05 0.00 -1.05 0.00 0.00 32.46 30.62 1fnt n ARG 29 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 1fnt n VAL 30 N -0.09 -0.26 -3.45 8.89 0.24 -1.20 -4.29 118.33 118.18 1fnt n VAL 30 Ca 0.00 -4.39 -0.38 0.00 -2.04 0.00 0.00 64.34 57.53 1fnt n VAL 30 Cb 0.11 -1.00 -0.06 0.00 -1.47 0.00 0.00 33.84 31.41 1fnt n VAL 30 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1fnt s THR 31 N -1.98 4.98 -1.21 3.34 2.01 -0.15 -5.00 115.64 117.63 1fnt s THR 31 Ca 0.38 0.92 -0.04 0.00 0.31 0.00 0.00 61.69 63.26 1fnt s THR 31 Cb 0.27 -3.75 0.20 0.00 0.01 0.00 0.00 72.50 69.23 1fnt s THR 31 CO -0.09 0.56 2.09 -0.67 -0.69 0.00 0.00 174.62 175.81 1fnt n ASP 32 N 1.92 7.36 0.21 3.53 2.03 -1.26 -4.35 116.55 125.99 1fnt n ASP 32 Ca -0.13 -3.32 0.11 0.00 0.52 0.00 0.00 54.79 51.97 1fnt n ASP 32 Cb 0.52 -1.31 0.60 0.00 -0.72 0.00 0.00 41.12 40.21 1fnt n ASP 32 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1fnt h LYS 33 N 4.69 0.00 -5.72 -0.67 1.79 -1.94 -3.39 116.57 111.33 1fnt h LYS 33 Ca 0.58 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 58.46 1fnt h LYS 33 Cb 0.37 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 30.94 1fnt h LYS 33 CO 1.40 0.00 -0.03 -0.51 -1.08 0.00 0.00 179.45 179.23 1fnt s LEU 34 N -4.73 4.23 0.01 2.94 1.43 -1.26 -2.37 118.68 118.92 1fnt s LEU 34 Ca -0.02 0.84 0.05 0.00 -1.03 0.00 0.00 54.13 53.97 1fnt s LEU 34 Cb 0.06 -2.80 -0.02 0.00 0.03 0.00 0.00 46.19 43.47 1fnt s LEU 34 CO 0.20 -0.11 -0.17 -0.89 0.23 0.00 0.00 176.35 175.61 1fnt s THR 35 N 1.14 1.34 -0.17 5.49 2.01 0.24 -4.96 115.64 120.73 1fnt s THR 35 Ca 0.28 -0.87 -0.15 0.00 0.31 0.00 0.00 61.69 61.26 1fnt s THR 35 Cb -0.16 -1.14 -0.04 0.00 0.01 0.00 0.00 72.50 71.17 1fnt s THR 35 CO 0.11 0.26 0.34 -0.60 -0.69 0.00 0.00 174.62 174.05 1fnt s ARG 36 N -0.71 4.25 -0.16 4.92 3.52 -1.26 0.09 118.95 129.60 1fnt s ARG 36 Ca 0.06 0.17 -0.04 0.00 -0.13 0.00 0.00 55.73 55.78 1fnt s ARG 36 Cb -0.07 -3.46 -0.08 0.00 -1.56 0.00 0.00 34.95 29.78 1fnt s ARG 36 CO 0.00 0.15 -0.18 1.33 -0.81 0.00 0.00 175.30 175.80 1fnt n VAL 37 N 3.81 0.87 -4.28 7.11 0.24 -0.75 -4.95 118.33 120.37 1fnt n VAL 37 Ca -0.10 -0.26 -0.15 0.00 -2.04 0.00 0.00 64.34 61.78 1fnt n VAL 37 Cb 0.52 -1.44 -0.10 0.00 -1.47 0.00 0.00 33.84 31.34 1fnt n VAL 37 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1fnt s HIS 38 N -2.29 1.38 0.24 6.34 5.65 -0.01 -4.73 115.29 121.87 1fnt s HIS 38 Ca -0.21 -1.08 -0.04 0.00 0.25 0.00 0.00 55.06 53.97 1fnt s HIS 38 Cb 0.07 -0.80 0.44 0.00 -1.18 0.00 0.00 32.58 31.11 1fnt s HIS 38 CO 0.31 -0.25 1.74 -0.44 -0.65 0.00 0.00 174.74 175.45 1fnt h ASP 39 N 2.54 0.32 -0.21 9.88 5.19 -2.02 -1.47 116.42 130.65 1fnt h ASP 39 Ca -0.37 0.10 -0.04 0.00 -0.62 0.00 0.00 57.03 56.09 1fnt h ASP 39 Cb 1.22 0.06 -0.03 0.00 0.18 0.00 0.00 39.33 40.77 1fnt h ASP 39 CO 0.62 0.14 -0.04 0.29 -3.12 0.00 0.00 179.24 177.13 1fnt n LYS 40 N -4.97 2.23 -3.71 3.56 4.76 -1.26 -4.92 118.16 113.85 1fnt n LYS 40 Ca 0.14 -2.89 -0.23 0.00 -2.87 0.00 0.00 58.31 52.45 1fnt n LYS 40 Cb 0.39 -1.75 -0.17 0.00 -1.84 0.00 0.00 35.03 31.65 1fnt n LYS 40 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1fnt s ILE 41 N -2.96 0.20 0.32 -0.18 -1.09 -0.56 -2.10 121.20 114.83 1fnt s ILE 41 Ca 0.40 0.06 0.04 0.00 -2.23 0.00 0.00 60.65 58.92 1fnt s ILE 41 Cb 0.35 -0.52 -0.01 0.00 -1.58 0.00 0.00 42.46 40.70 1fnt s ILE 41 CO 0.05 0.09 0.13 0.79 -1.23 0.00 0.00 174.94 174.77 1fnt n TRP 42 N 5.19 -0.01 -3.49 3.97 7.02 -0.70 -0.83 117.44 128.60 1fnt n TRP 42 Ca -0.06 -2.11 -0.14 0.00 -1.02 0.00 0.00 57.50 54.17 1fnt n TRP 42 Cb 0.49 0.03 -0.04 0.00 -2.42 0.00 0.00 31.31 29.38 1fnt n TRP 42 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1fnt s ARG 45 N 1.17 4.62 0.16 0.00 0.52 -1.00 -1.80 118.95 122.62 1fnt s ARG 45 Ca 0.02 1.29 0.08 0.00 -0.52 0.00 0.00 55.73 56.59 1fnt s ARG 45 Cb -0.14 -3.36 -0.04 0.00 0.52 0.00 0.00 34.95 31.92 1fnt s ARG 45 CO -0.03 0.27 -0.16 0.45 0.02 0.00 0.00 175.30 175.85 1fnt s SER 46 N -0.13 2.44 1.17 0.23 0.15 -1.26 -4.87 113.70 111.44 1fnt s SER 46 Ca 0.43 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 56.21 1fnt s SER 46 Cb -0.22 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 63.96 1fnt s SER 46 CO 0.27 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.23 1fnt n GLY 47 N 0.27 1.22 3.77 9.45 0.00 -1.26 -2.61 105.19 116.03 1fnt n GLY 47 Ca -0.13 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 1fnt n GLY 47 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1fnt n SER 48 N 7.15 3.63 0.00 1.61 2.88 -1.03 -4.99 113.62 122.86 1fnt n SER 48 Ca 0.00 1.20 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 1fnt n SER 48 Cb 0.00 -1.61 0.00 0.00 -0.75 0.00 0.00 64.21 61.85 1fnt n SER 48 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1fnt n ALA 49 N 0.25 0.00 -0.29 -1.46 0.00 -1.26 -3.35 120.51 114.40 1fnt n ALA 49 Ca 0.02 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.61 1fnt n ALA 49 Cb 0.39 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.14 1fnt n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fnt n ALA 50 N -1.70 0.51 0.09 0.00 0.00 -1.26 -1.88 120.51 116.28 1fnt n ALA 50 Ca 0.00 0.90 -0.04 0.00 0.00 0.00 0.00 53.44 54.31 1fnt n ALA 50 Cb 0.00 -0.70 -0.02 0.00 0.00 0.00 0.00 19.45 18.73 1fnt n ALA 50 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1fnt h ASP 51 N 0.00 -0.20 -0.88 0.00 3.32 -1.90 -2.54 116.42 114.21 1fnt h ASP 51 Ca 0.55 0.01 0.23 0.00 0.02 0.00 0.00 57.03 57.83 1fnt h ASP 51 Cb 1.20 0.05 -0.15 0.00 0.22 0.00 0.00 39.33 40.65 1fnt h ASP 51 CO -0.78 -0.14 0.07 0.71 -1.72 0.00 0.00 179.24 177.38 1fnt h THR 52 N -0.24 0.21 0.17 0.35 1.35 -1.39 0.05 112.91 113.41 1fnt h THR 52 Ca -0.02 -0.03 0.01 0.00 -0.55 0.00 0.00 66.41 65.82 1fnt h THR 52 Cb 0.18 0.11 -0.04 0.00 -1.73 0.00 0.00 68.15 66.67 1fnt h THR 52 CO 0.04 0.02 -0.44 1.56 -0.25 0.00 0.00 175.52 176.45 1fnt h GLN 53 N 0.10 -0.67 -0.77 4.72 4.20 -1.37 -2.72 115.11 118.59 1fnt h GLN 53 Ca 0.52 0.05 -0.01 0.00 0.06 0.00 0.00 58.65 59.27 1fnt h GLN 53 Cb 1.01 0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.91 1fnt h GLN 53 CO -0.76 -0.45 0.44 0.00 -0.67 0.00 0.00 178.83 177.39 1fnt h ALA 54 N -0.28 1.34 0.11 3.87 0.00 -0.58 -2.96 119.26 120.76 1fnt h ALA 54 Ca 0.01 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1fnt h ALA 54 Cb 0.71 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1fnt h ALA 54 CO -0.22 0.56 -0.53 0.82 0.00 0.00 0.00 179.25 179.87 1fnt h ILE 55 N 1.06 0.00 -0.51 0.00 2.04 -1.03 -2.10 117.51 116.97 1fnt h ILE 55 Ca 0.27 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.19 1fnt h ILE 55 Cb -0.01 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 35.98 1fnt h ILE 55 CO -0.05 0.00 -0.50 0.00 0.00 0.00 0.00 178.15 177.60 1fnt h ALA 56 N -0.54 -0.66 -0.99 1.87 0.00 -1.38 0.18 119.26 117.75 1fnt h ALA 56 Ca -0.01 0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.16 1fnt h ALA 56 Cb 0.76 1.16 -0.19 0.00 0.00 0.00 0.00 17.79 19.52 1fnt h ALA 56 CO -0.29 -0.94 -0.15 -0.44 0.00 0.00 0.00 179.25 177.43 1fnt h ASP 57 N -0.25 -0.76 0.01 0.00 5.19 -1.30 0.45 116.42 119.76 1fnt h ASP 57 Ca 0.09 0.29 -0.00 0.00 -0.62 0.00 0.00 57.03 56.79 1fnt h ASP 57 Cb 0.48 0.57 0.00 0.00 0.18 0.00 0.00 39.33 40.56 1fnt h ASP 57 CO -0.62 -0.34 -0.01 0.40 -3.12 0.00 0.00 179.24 175.56 1fnt h ILE 58 N 0.00 1.12 -0.06 0.35 2.04 -0.37 -2.57 117.51 118.02 1fnt h ILE 58 Ca 0.52 -0.38 0.02 0.00 1.00 0.00 0.00 64.86 66.01 1fnt h ILE 58 Cb 0.92 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 1fnt h ILE 58 CO -0.99 0.10 -0.03 0.58 0.00 0.00 0.00 178.15 177.81 1fnt h VAL 59 N -0.18 0.90 -0.89 1.67 2.07 0.12 -0.53 116.25 119.40 1fnt h VAL 59 Ca -0.00 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.74 1fnt h VAL 59 Cb 0.17 0.90 -0.13 0.00 -1.52 0.00 0.00 31.29 30.72 1fnt h VAL 59 CO 0.00 0.00 0.39 -0.61 0.02 0.00 0.00 177.57 177.37 1fnt h GLN 60 N -0.03 0.38 0.44 1.57 4.15 -0.30 -1.02 115.11 120.30 1fnt h GLN 60 Ca 0.04 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 1fnt h GLN 60 Cb 0.08 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1fnt h GLN 60 CO -0.08 0.25 -0.21 -0.92 -1.93 0.00 0.00 178.83 175.94 1fnt h TYR 61 N 0.39 -0.55 -0.57 3.99 5.03 -0.78 -1.50 116.97 122.97 1fnt h TYR 61 Ca 0.56 -0.01 0.12 0.00 2.58 0.00 0.00 58.73 61.97 1fnt h TYR 61 Cb 1.07 0.18 -0.10 0.00 1.55 0.00 0.00 36.73 39.43 1fnt h TYR 61 CO -0.14 -0.27 -0.03 0.45 -1.32 0.00 0.00 178.16 176.85 1fnt h HIS 62 N -0.74 -0.09 0.41 -3.82 3.86 0.14 -1.94 115.15 112.97 1fnt h HIS 62 Ca -0.06 0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.17 1fnt h HIS 62 Cb 0.53 0.13 0.00 0.00 1.06 0.00 0.00 27.41 29.13 1fnt h HIS 62 CO -0.01 -0.17 -0.20 -0.07 0.86 0.00 0.00 177.93 178.34 1fnt h LEU 63 N 0.09 -0.46 -1.41 2.43 3.38 -1.37 0.44 115.31 118.41 1fnt h LEU 63 Ca 0.29 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1fnt h LEU 63 Cb 0.46 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1fnt h LEU 63 CO -0.51 -0.08 0.24 -0.08 0.09 0.00 0.00 178.44 178.10 1fnt h GLU 64 N -0.90 0.00 0.01 1.13 4.81 -1.25 0.26 114.58 118.63 1fnt h GLU 64 Ca -0.06 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.81 1fnt h GLU 64 Cb 0.55 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.87 1fnt h GLU 64 CO 0.09 0.00 -2.28 -0.11 -0.73 0.00 0.00 179.01 175.98 1fnt n LEU 65 N -2.38 1.21 0.36 1.64 7.94 -0.73 -4.08 117.00 120.94 1fnt n LEU 65 Ca -0.01 0.04 -0.18 0.00 -1.11 0.00 0.00 56.01 54.75 1fnt n LEU 65 Cb 0.27 -0.09 -0.09 0.00 0.53 0.00 0.00 43.42 44.04 1fnt n LEU 65 CO 0.09 0.64 0.61 0.22 -1.11 0.00 0.00 177.39 177.84 1fnt h TYR 66 N 0.01 -1.03 -0.68 1.96 5.03 0.32 -3.17 116.97 119.40 1fnt h TYR 66 Ca -0.51 -0.01 0.13 0.00 2.58 0.00 0.00 58.73 60.92 1fnt h TYR 66 Cb 2.10 0.37 -0.13 0.00 1.55 0.00 0.00 36.73 40.61 1fnt h TYR 66 CO 0.02 -0.59 -0.21 1.79 -1.32 0.00 0.00 178.16 177.84 1fnt h THR 67 N -0.97 0.26 0.00 1.81 1.35 -1.09 0.12 112.91 114.39 1fnt h THR 67 Ca -0.08 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 1fnt h THR 67 Cb 0.78 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 1fnt h THR 67 CO 0.08 0.00 0.01 -1.54 -0.25 0.00 0.00 175.52 173.83 1fnt n SER 68 N -5.46 0.00 0.00 5.36 3.41 -1.20 -2.03 113.62 113.70 1fnt n SER 68 Ca 0.08 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1fnt n SER 68 Cb 0.36 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1fnt n SER 68 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fnt n GLN 69 N -0.84 0.00 -0.75 4.33 10.64 -0.60 -4.93 117.38 125.24 1fnt n GLN 69 Ca 0.00 0.00 0.02 0.00 -1.83 0.00 0.00 57.00 55.19 1fnt n GLN 69 Cb 0.01 -0.36 0.29 0.00 -0.86 0.00 0.00 30.24 29.31 1fnt n GLN 69 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1fnt n TYR 70 N -1.37 1.61 -4.45 2.61 4.01 -0.07 -5.08 117.16 114.42 1fnt n TYR 70 Ca 0.00 -1.07 0.00 0.00 -0.16 0.00 0.00 57.90 56.67 1fnt n TYR 70 Cb 0.00 -0.49 0.00 0.00 -0.31 0.00 0.00 39.34 38.54 1fnt n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fnt n GLY 71 N -0.35 -1.00 3.73 2.72 0.00 -0.86 -4.72 105.19 104.71 1fnt n GLY 71 Ca 0.30 -1.17 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 1fnt n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fnt s THR 72 N 0.00 4.62 0.34 2.61 -4.23 -1.26 -3.46 115.64 114.26 1fnt s THR 72 Ca 0.00 1.93 -0.12 0.00 -1.18 0.00 0.00 61.69 62.32 1fnt s THR 72 Cb 0.00 -4.26 -0.08 0.00 1.34 0.00 0.00 72.50 69.51 1fnt s THR 72 CO 0.00 0.31 0.72 -2.16 -0.54 0.00 0.00 174.62 172.95 1fnt s PRO 73 N 0.12 3.88 0.41 3.99 0.04 -1.26 -5.04 135.00 137.13 1fnt s PRO 73 Ca 0.45 0.52 -0.07 0.00 0.04 0.00 0.00 61.00 61.94 1fnt s PRO 73 Cb -0.22 -2.45 0.10 0.00 0.04 0.00 0.00 34.50 31.98 1fnt s PRO 73 CO 0.27 0.10 0.34 0.45 0.04 0.00 0.00 177.00 178.20 1fnt n SER 74 N -0.74 -1.57 -0.03 6.66 2.88 -1.26 -4.95 113.62 114.61 1fnt n SER 74 Ca 0.03 -0.64 -0.10 0.00 -1.33 0.00 0.00 58.87 56.82 1fnt n SER 74 Cb 0.53 -0.32 -0.14 0.00 -0.75 0.00 0.00 64.21 63.53 1fnt n SER 74 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1fnt n THR 75 N -3.37 1.61 0.03 2.46 -1.04 -1.26 -3.63 114.28 109.08 1fnt n THR 75 Ca 0.05 -0.78 -0.17 0.00 -2.04 0.00 0.00 64.05 61.11 1fnt n THR 75 Cb 0.19 -1.07 -0.07 0.00 -1.82 0.00 0.00 70.33 67.56 1fnt n THR 75 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1fnt h GLU 76 N 0.01 0.64 -0.05 -2.82 4.81 -1.96 -2.33 114.58 112.86 1fnt h GLU 76 Ca -0.33 -0.62 0.02 0.00 -0.13 0.00 0.00 59.36 58.30 1fnt h GLU 76 Cb 2.04 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 31.57 1fnt h GLU 76 CO 0.07 1.22 0.05 1.15 -0.73 0.00 0.00 179.01 180.78 1fnt h THR 77 N 0.39 0.62 0.13 0.32 2.02 -1.93 -2.55 112.91 111.91 1fnt h THR 77 Ca -0.09 0.00 -0.26 0.00 0.77 0.00 0.00 66.41 66.83 1fnt h THR 77 Cb 1.54 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 1fnt h THR 77 CO 0.17 0.00 -1.29 0.00 0.37 0.00 0.00 175.52 174.78 1fnt h ALA 78 N 1.94 0.10 0.19 6.16 0.00 -1.57 -3.34 119.26 122.75 1fnt h ALA 78 Ca 0.03 -0.99 0.01 0.00 0.00 0.00 0.00 54.91 53.96 1fnt h ALA 78 Cb 0.13 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1fnt h ALA 78 CO -0.00 0.72 -0.27 0.00 0.00 0.00 0.00 179.25 179.70 1fnt h ALA 79 N -0.00 -0.50 -1.15 0.00 0.00 -1.11 -1.93 119.26 114.56 1fnt h ALA 79 Ca -0.27 -0.06 0.33 0.00 0.00 0.00 0.00 54.91 54.91 1fnt h ALA 79 Cb 1.76 0.41 -0.10 0.00 0.00 0.00 0.00 17.79 19.86 1fnt h ALA 79 CO 0.09 -0.82 0.76 1.03 0.00 0.00 0.00 179.25 180.31 1fnt h SER 80 N -0.52 0.32 -0.29 0.00 0.87 -1.63 0.48 113.55 112.79 1fnt h SER 80 Ca 0.01 0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.61 1fnt h SER 80 Cb 0.51 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 1fnt h SER 80 CO -0.10 -0.00 0.05 0.58 -0.53 0.00 0.00 176.83 176.83 1fnt h VAL 81 N 0.25 1.19 0.04 2.23 2.07 -1.46 -1.53 116.25 119.04 1fnt h VAL 81 Ca 0.66 -0.72 -0.25 0.00 0.82 0.00 0.00 66.70 67.20 1fnt h VAL 81 Cb 1.94 0.85 0.01 0.00 -1.52 0.00 0.00 31.29 32.57 1fnt h VAL 81 CO -0.28 0.25 -1.06 -0.26 0.02 0.00 0.00 177.57 176.24 1fnt h PHE 82 N 0.55 0.74 -0.44 1.57 0.05 -0.03 -3.20 116.94 116.19 1fnt h PHE 82 Ca 0.12 -0.44 0.08 0.00 3.82 0.00 0.00 57.97 61.56 1fnt h PHE 82 Cb 0.28 -0.07 -0.10 0.00 2.00 0.00 0.00 35.95 38.06 1fnt h PHE 82 CO 0.01 1.28 -0.36 -0.22 -0.18 0.00 0.00 178.31 178.84 1fnt h LYS 83 N 0.24 -0.25 0.15 1.51 3.64 -0.21 0.28 116.57 121.94 1fnt h LYS 83 Ca -0.12 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1fnt h LYS 83 Cb 1.72 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.58 1fnt h LYS 83 CO 0.19 -0.17 -0.25 0.93 -2.27 0.00 0.00 179.45 177.88 1fnt h GLU 84 N -0.26 -0.42 -0.47 1.90 3.07 -1.46 0.49 114.58 117.44 1fnt h GLU 84 Ca 0.17 0.03 0.09 0.00 -0.50 0.00 0.00 59.36 59.16 1fnt h GLU 84 Cb 0.56 0.09 -0.10 0.00 -0.84 0.00 0.00 28.75 28.46 1fnt h GLU 84 CO -0.58 -0.28 -0.26 -0.07 -1.40 0.00 0.00 179.01 176.43 1fnt h LEU 85 N -0.43 -0.87 0.09 1.33 3.38 -1.43 -1.85 115.31 115.53 1fnt h LEU 85 Ca -0.02 0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.15 1fnt h LEU 85 Cb 0.40 0.45 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1fnt h LEU 85 CO -0.09 -0.27 -0.14 0.00 0.09 0.00 0.00 178.44 178.03 1fnt n TYR 87 N -5.26 0.00 -0.19 0.00 9.36 0.15 -1.97 117.16 119.25 1fnt n TYR 87 Ca -0.07 0.00 0.16 0.00 3.32 0.00 0.00 57.90 61.31 1fnt n TYR 87 Cb 0.18 -0.22 0.30 0.00 -0.63 0.00 0.00 39.34 38.97 1fnt n TYR 87 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1fnt n GLU 88 N -1.32 -0.04 -0.44 2.98 4.71 -0.82 0.06 120.64 125.77 1fnt n GLU 88 Ca 0.00 0.80 0.08 0.00 -0.01 0.00 0.00 57.16 58.03 1fnt n GLU 88 Cb 0.00 -1.40 0.26 0.00 -1.01 0.00 0.00 31.44 29.28 1fnt n GLU 88 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1fnt n ASN 89 N -4.38 3.90 0.09 1.62 3.02 -1.20 -4.76 115.26 113.55 1fnt n ASN 89 Ca 0.20 -2.79 0.10 0.00 -0.03 0.00 0.00 54.58 52.06 1fnt n ASN 89 Cb 0.67 -0.50 0.16 0.00 -0.61 0.00 0.00 39.78 39.50 1fnt n ASN 89 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1fnt n LYS 90 N -0.14 0.02 0.19 3.52 2.85 0.11 -0.64 118.16 124.07 1fnt n LYS 90 Ca 0.20 0.85 0.10 0.00 -1.05 0.00 0.00 58.31 58.42 1fnt n LYS 90 Cb 0.83 -2.23 0.12 0.00 -0.65 0.00 0.00 35.03 33.11 1fnt n LYS 90 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 1fnt h ASP 91 N 0.00 0.00 0.00 -5.58 3.32 -1.85 -3.31 116.42 109.00 1fnt h ASP 91 Ca 0.18 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1fnt h ASP 91 Cb 2.08 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.61 1fnt h ASP 91 CO -0.00 0.08 -0.24 0.59 -1.72 0.00 0.00 179.24 177.94 1fnt n ASN 92 N -3.06 1.70 -3.99 6.45 3.02 0.19 -5.03 115.26 114.54 1fnt n ASN 92 Ca 0.03 -2.95 -0.17 0.00 -0.03 0.00 0.00 54.58 51.46 1fnt n ASN 92 Cb 0.57 -0.39 -0.14 0.00 -0.61 0.00 0.00 39.78 39.20 1fnt n ASN 92 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1fnt s LEU 93 N -2.20 2.03 -0.29 3.41 1.43 -1.19 -5.04 118.68 116.83 1fnt s LEU 93 Ca 0.27 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1fnt s LEU 93 Cb 0.25 -0.34 0.09 0.00 0.03 0.00 0.00 46.19 46.22 1fnt s LEU 93 CO -0.00 0.06 0.05 -0.89 0.23 0.00 0.00 176.35 175.80 1fnt s THR 94 N -0.25 1.19 -0.20 5.49 2.01 -1.26 -4.86 115.64 117.75 1fnt s THR 94 Ca 0.02 -1.41 -0.10 0.00 0.31 0.00 0.00 61.69 60.51 1fnt s THR 94 Cb -0.03 -1.78 0.07 0.00 0.01 0.00 0.00 72.50 70.77 1fnt s THR 94 CO -0.00 -0.49 0.47 0.00 -0.69 0.00 0.00 174.62 173.91 1fnt s ALA 95 N 1.49 -1.27 -0.13 7.40 0.00 -1.26 -2.47 121.76 125.51 1fnt s ALA 95 Ca 0.06 1.73 0.19 0.00 0.00 0.00 0.00 51.96 53.93 1fnt s ALA 95 Cb -0.18 -1.15 -0.22 0.00 0.00 0.00 0.00 23.12 21.57 1fnt s ALA 95 CO -0.17 -0.43 0.53 0.41 0.00 0.00 0.00 175.76 176.10 1fnt n GLY 96 N 4.59 -1.10 0.00 0.00 0.00 -1.07 -2.60 105.19 105.02 1fnt n GLY 96 Ca -0.19 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1fnt n GLY 96 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1fnt n ILE 97 N -2.68 0.00 -4.71 -0.61 0.13 -1.26 -3.80 119.36 106.43 1fnt n ILE 97 Ca -0.15 0.00 -0.33 0.00 -1.10 0.00 0.00 62.75 61.17 1fnt n ILE 97 Cb 0.85 0.00 -0.13 0.00 -0.84 0.00 0.00 39.64 39.52 1fnt n ILE 97 CO 0.00 0.00 0.00 -0.63 2.80 0.00 0.00 176.55 178.72 1fnt s ILE 98 N 0.00 3.31 0.08 9.51 1.01 -0.74 -1.84 121.20 132.52 1fnt s ILE 98 Ca 0.00 -0.59 0.08 0.00 0.00 0.00 0.00 60.65 60.14 1fnt s ILE 98 Cb 0.00 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 1fnt s ILE 98 CO 0.00 0.54 -0.17 -0.69 0.00 0.00 0.00 174.94 174.62 1fnt s VAL 99 N -0.02 2.90 -0.15 2.92 1.01 0.86 -1.65 120.40 126.28 1fnt s VAL 99 Ca -0.02 -1.32 -0.18 0.00 0.00 0.00 0.00 61.98 60.46 1fnt s VAL 99 Cb -0.14 -2.29 0.05 0.00 0.00 0.00 0.00 36.38 34.00 1fnt s VAL 99 CO 0.04 0.21 0.47 0.00 0.00 0.00 0.00 175.10 175.82 1fnt s ALA 100 N -1.05 -1.18 0.05 5.51 0.00 -1.07 -1.41 121.76 122.61 1fnt s ALA 100 Ca 0.17 1.21 -0.27 0.00 0.00 0.00 0.00 51.96 53.07 1fnt s ALA 100 Cb -0.11 -0.60 0.09 0.00 0.00 0.00 0.00 23.12 22.50 1fnt s ALA 100 CO 0.08 -0.24 0.76 0.20 0.00 0.00 0.00 175.76 176.56 1fnt s GLY 101 N -0.10 -0.53 0.08 0.00 0.00 -1.06 -1.72 107.32 103.99 1fnt s GLY 101 Ca -0.03 0.87 0.06 0.00 0.00 0.00 0.00 44.72 45.63 1fnt s GLY 101 CO 0.02 0.34 -0.17 -0.47 0.00 0.00 0.00 173.10 172.82 1fnt s TYR 102 N -3.15 1.45 -0.06 1.90 5.04 -0.89 0.21 117.35 121.85 1fnt s TYR 102 Ca 0.02 -0.43 -0.03 0.00 -2.44 0.00 0.00 57.07 54.19 1fnt s TYR 102 Cb -0.01 -0.81 0.04 0.00 0.35 0.00 0.00 41.96 41.52 1fnt s TYR 102 CO -0.09 0.11 0.13 0.34 -1.34 0.00 0.00 175.55 174.71 1fnt s ASP 103 N -1.72 -0.10 0.25 4.32 2.15 -0.33 -4.85 116.67 116.39 1fnt s ASP 103 Ca 0.02 0.27 -0.12 0.00 0.43 0.00 0.00 52.55 53.15 1fnt s ASP 103 Cb -0.10 0.17 0.34 0.00 -0.30 0.00 0.00 42.92 43.04 1fnt s ASP 103 CO 0.03 -0.14 1.58 -2.24 -0.17 0.00 0.00 175.17 174.23 1fnt h ASP 104 N 7.14 -0.95 0.00 -0.34 -0.00 -1.99 0.79 116.42 121.06 1fnt h ASP 104 Ca -0.42 0.27 0.00 0.00 -0.00 0.00 0.00 57.03 56.88 1fnt h ASP 104 Cb 1.14 0.59 0.00 0.00 -0.00 0.00 0.00 39.33 41.06 1fnt h ASP 104 CO 0.43 -0.29 0.00 1.17 -0.00 0.00 0.00 179.24 180.55 1fnt n LYS 105 N -5.54 0.00 0.00 4.15 4.81 -1.26 -3.18 118.16 117.14 1fnt n LYS 105 Ca 0.12 0.12 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 1fnt n LYS 105 Cb 0.43 -0.83 0.00 0.00 0.02 0.00 0.00 35.03 34.65 1fnt n LYS 105 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1fnt n ASN 106 N -0.45 0.52 0.00 3.14 6.94 -1.18 -4.99 115.26 119.24 1fnt n ASN 106 Ca 0.00 -1.41 0.00 0.00 -0.02 0.00 0.00 54.58 53.15 1fnt n ASN 106 Cb 0.00 -0.26 0.00 0.00 -2.36 0.00 0.00 39.78 37.16 1fnt n ASN 106 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 1fnt n LYS 107 N -0.02 0.00 -4.04 -3.83 0.00 0.26 -4.64 118.16 105.89 1fnt n LYS 107 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 58.31 57.95 1fnt n LYS 107 Cb 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.08 1fnt n LYS 107 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1fnt s GLY 108 N -2.30 2.03 0.11 3.14 0.00 -1.26 -1.18 107.32 107.86 1fnt s GLY 108 Ca 0.00 -0.71 0.06 0.00 0.00 0.00 0.00 44.72 44.07 1fnt s GLY 108 CO 0.00 -0.36 -0.03 -0.54 0.00 0.00 0.00 173.10 172.18 1fnt s GLU 109 N -0.74 2.40 -0.11 2.90 2.02 0.13 -4.84 118.70 120.46 1fnt s GLU 109 Ca 0.13 -0.95 0.02 0.00 0.02 0.00 0.00 54.97 54.18 1fnt s GLU 109 Cb -0.12 -2.43 0.02 0.00 0.10 0.00 0.00 34.13 31.70 1fnt s GLU 109 CO 0.03 0.51 -0.15 0.54 0.02 0.00 0.00 175.26 176.21 1fnt s VAL 110 N -1.39 1.50 -0.03 2.63 0.11 -1.26 -2.56 120.40 119.40 1fnt s VAL 110 Ca 0.25 -0.64 0.03 0.00 -2.93 0.00 0.00 61.98 58.69 1fnt s VAL 110 Cb -0.11 -1.37 0.00 0.00 -1.53 0.00 0.00 36.38 33.37 1fnt s VAL 110 CO 0.17 0.44 -0.10 -0.31 -3.33 0.00 0.00 175.10 171.98 1fnt s TYR 111 N 1.02 1.04 -0.15 1.54 1.51 -0.50 -1.59 117.35 120.22 1fnt s TYR 111 Ca -0.06 -0.27 0.01 0.00 -1.01 0.00 0.00 57.07 55.74 1fnt s TYR 111 Cb -0.15 -0.74 -0.00 0.00 -0.11 0.00 0.00 41.96 40.96 1fnt s TYR 111 CO -0.02 -0.12 -0.17 -0.08 -1.11 0.00 0.00 175.55 174.05 1fnt s THR 112 N 0.24 2.54 -0.88 -0.71 -1.32 0.15 -0.10 115.64 115.56 1fnt s THR 112 Ca -0.04 -0.82 0.00 0.00 -1.21 0.00 0.00 61.69 59.62 1fnt s THR 112 Cb -0.09 -2.06 0.27 0.00 -1.51 0.00 0.00 72.50 69.11 1fnt s THR 112 CO 0.01 0.52 1.06 -0.38 -2.21 0.00 0.00 174.62 173.63 1fnt n ILE 113 N 3.99 3.76 -0.39 5.08 5.41 -0.77 -1.33 119.36 135.11 1fnt n ILE 113 Ca -0.19 -5.50 -0.26 0.00 1.00 0.00 0.00 62.75 57.80 1fnt n ILE 113 Cb 0.52 -2.16 0.25 0.00 -0.71 0.00 0.00 39.64 37.54 1fnt n ILE 113 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1fnt n PRO 114 N 1.36 -4.12 -1.75 0.38 -0.04 -1.16 -4.21 135.00 125.46 1fnt n PRO 114 Ca 0.27 -1.33 -0.41 0.00 -0.04 0.00 0.00 63.50 61.99 1fnt n PRO 114 Cb 0.37 -1.59 0.01 0.00 -0.04 0.00 0.00 33.50 32.25 1fnt n PRO 114 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1fnt n LEU 115 N 0.00 4.70 0.00 1.53 7.94 -1.07 -2.03 117.00 128.07 1fnt n LEU 115 Ca 0.12 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 56.19 1fnt n LEU 115 Cb 0.52 -1.58 0.00 0.00 0.53 0.00 0.00 43.42 42.88 1fnt n LEU 115 CO 0.34 -0.15 0.00 0.61 -1.11 0.00 0.00 177.39 177.08 1fnt n GLY 116 N 0.59 3.10 0.00 -3.96 0.00 -1.26 -4.41 105.19 99.24 1fnt n GLY 116 Ca 0.04 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1fnt n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fnt n GLY 117 N 0.00 1.38 3.70 -0.02 0.00 -0.86 -4.45 105.19 104.94 1fnt n GLY 117 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1fnt n GLY 117 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fnt s SER 118 N -1.68 6.47 0.02 1.61 1.04 -1.26 -4.82 113.70 115.09 1fnt s SER 118 Ca 0.00 2.72 -0.04 0.00 0.48 0.00 0.00 55.95 59.11 1fnt s SER 118 Cb 0.00 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.49 1fnt s SER 118 CO 0.00 -0.94 0.24 -0.69 0.98 0.00 0.00 173.24 172.83 1fnt s VAL 119 N 1.95 5.35 -0.15 5.02 1.01 -1.26 -3.01 120.40 129.31 1fnt s VAL 119 Ca 0.76 -0.04 -0.08 0.00 0.00 0.00 0.00 61.98 62.62 1fnt s VAL 119 Cb -0.46 -3.57 0.05 0.00 0.00 0.00 0.00 36.38 32.40 1fnt s VAL 119 CO 0.33 0.28 0.35 -1.00 0.00 0.00 0.00 175.10 175.07 1fnt s HIS 120 N -1.38 -0.50 -0.42 5.22 3.76 -0.44 -4.92 115.29 116.61 1fnt s HIS 120 Ca 0.30 1.11 -0.15 0.00 -0.15 0.00 0.00 55.06 56.17 1fnt s HIS 120 Cb -0.13 0.19 0.03 0.00 1.11 0.00 0.00 32.58 33.78 1fnt s HIS 120 CO 0.20 -0.30 0.32 0.21 -0.85 0.00 0.00 174.74 174.32 1fnt s LYS 121 N 1.29 2.98 0.51 1.40 2.20 -1.26 0.31 119.74 127.18 1fnt s LYS 121 Ca -0.09 -1.05 0.02 0.00 -0.36 0.00 0.00 55.97 54.48 1fnt s LYS 121 Cb -0.09 -4.00 -0.01 0.00 -1.51 0.00 0.00 37.83 32.22 1fnt s LYS 121 CO -0.11 -0.79 0.04 -0.51 -0.36 0.00 0.00 175.35 173.62 1fnt s LEU 122 N 1.70 2.35 0.12 5.43 1.02 -0.62 -5.00 118.68 123.68 1fnt s LEU 122 Ca 0.05 -1.61 -0.13 0.00 0.02 0.00 0.00 54.13 52.46 1fnt s LEU 122 Cb -0.20 -0.78 -0.04 0.00 0.02 0.00 0.00 46.19 45.19 1fnt s LEU 122 CO 0.10 -0.86 1.50 -0.65 0.02 0.00 0.00 176.35 176.46 1fnt h PRO 123 N 1.32 0.79 -2.04 1.29 0.11 -1.96 -3.38 132.00 128.12 1fnt h PRO 123 Ca -0.43 -0.34 -0.06 0.00 0.11 0.00 0.00 66.00 65.28 1fnt h PRO 123 Cb 1.31 -0.03 -0.19 0.00 0.11 0.00 0.00 31.00 32.20 1fnt h PRO 123 CO 0.73 0.96 0.17 1.52 -0.21 0.00 0.00 178.00 181.17 1fnt s TYR 124 N -4.65 -0.65 0.19 0.65 1.13 -1.26 -3.40 117.35 109.36 1fnt s TYR 124 Ca -0.12 1.13 0.05 0.00 -1.41 0.00 0.00 57.07 56.72 1fnt s TYR 124 Cb 0.10 0.39 -0.05 0.00 -1.10 0.00 0.00 41.96 41.31 1fnt s TYR 124 CO 0.83 -0.59 -0.08 0.00 -2.51 0.00 0.00 175.55 173.19 1fnt s ALA 125 N -1.13 1.74 -0.13 9.51 0.00 -1.00 -5.01 121.76 125.73 1fnt s ALA 125 Ca -0.11 -1.63 -0.05 0.00 0.00 0.00 0.00 51.96 50.17 1fnt s ALA 125 Cb -0.00 0.14 0.06 0.00 0.00 0.00 0.00 23.12 23.32 1fnt s ALA 125 CO 0.09 -0.10 0.28 0.96 0.00 0.00 0.00 175.76 177.00 1fnt s ILE 126 N -3.25 -0.34 0.25 0.00 -4.36 -1.26 -2.01 121.20 110.23 1fnt s ILE 126 Ca 0.22 0.23 0.01 0.00 -0.26 0.00 0.00 60.65 60.85 1fnt s ILE 126 Cb 0.03 -0.46 -0.04 0.00 1.25 0.00 0.00 42.46 43.23 1fnt s ILE 126 CO 0.05 0.10 0.14 0.00 0.24 0.00 0.00 174.94 175.46 1fnt s ALA 127 N 2.13 1.57 0.00 2.27 0.00 -0.61 -4.94 121.76 122.19 1fnt s ALA 127 Ca -0.02 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.15 1fnt s ALA 127 Cb -0.11 1.24 0.00 0.00 0.00 0.00 0.00 23.12 24.24 1fnt s ALA 127 CO -0.09 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 175.54 1fnt n GLY 128 N -0.43 3.19 0.07 0.00 0.00 -1.26 -0.01 105.19 106.74 1fnt n GLY 128 Ca 0.02 -1.69 0.01 0.00 0.00 0.00 0.00 46.02 44.36 1fnt n GLY 128 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1fnt n SER 129 N 0.00 -0.06 -1.91 1.61 2.88 -0.32 -0.41 113.62 115.41 1fnt n SER 129 Ca 0.00 0.31 -0.16 0.00 -1.33 0.00 0.00 58.87 57.69 1fnt n SER 129 Cb 0.00 -0.10 0.20 0.00 -0.75 0.00 0.00 64.21 63.57 1fnt n SER 129 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1fnt n GLY 130 N -1.11 4.49 0.19 0.46 0.00 -0.61 -4.49 105.19 104.11 1fnt n GLY 130 Ca 0.03 -1.11 0.05 0.00 0.00 0.00 0.00 46.02 44.99 1fnt n GLY 130 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1fnt h SER 131 N 1.23 0.00 0.00 1.61 0.02 -1.00 -3.34 113.55 112.07 1fnt h SER 131 Ca 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 1fnt h SER 131 Cb 2.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 65.03 1fnt h SER 131 CO 0.87 0.39 0.56 0.74 -1.14 0.00 0.00 176.83 178.25 1fnt h THR 132 N 0.00 0.00 -0.00 -2.27 2.02 -1.80 -2.46 112.91 108.40 1fnt h THR 132 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1fnt h THR 132 Cb 0.86 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1fnt h THR 132 CO 0.05 0.00 -0.41 0.49 0.37 0.00 0.00 175.52 176.02 1fnt n PHE 133 N -2.23 0.00 -1.10 3.16 3.72 -1.25 -4.46 117.46 115.30 1fnt n PHE 133 Ca -0.01 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.30 1fnt n PHE 133 Cb 0.58 0.00 0.28 0.00 -0.94 0.00 0.00 39.48 39.40 1fnt n PHE 133 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 1fnt n ILE 134 N -1.03 3.00 0.11 4.37 -5.35 -0.93 -3.69 119.36 115.83 1fnt n ILE 134 Ca 0.02 -1.72 0.09 0.00 -0.27 0.00 0.00 62.75 60.87 1fnt n ILE 134 Cb 0.16 -0.38 0.00 0.00 -1.74 0.00 0.00 39.64 37.69 1fnt n ILE 134 CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 1fnt h TYR 135 N 2.30 0.00 0.12 4.28 -1.99 -1.78 -3.19 116.97 116.71 1fnt h TYR 135 Ca 0.34 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 61.07 1fnt h TYR 135 Cb 2.45 0.00 0.00 0.00 2.00 0.00 0.00 36.73 41.18 1fnt h TYR 135 CO 1.35 0.11 -0.06 0.78 -0.00 0.00 0.00 178.16 180.34 1fnt h GLY 136 N 3.94 -0.17 0.00 3.88 0.00 -1.90 -3.34 103.07 105.48 1fnt h GLY 136 Ca -0.03 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1fnt h GLY 136 CO 0.01 -0.06 0.00 2.98 0.00 0.00 0.00 176.54 179.47 1fnt n TYR 137 N -4.88 0.00 0.00 5.60 9.36 -1.26 -3.03 117.16 122.95 1fnt n TYR 137 Ca -0.03 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.19 1fnt n TYR 137 Cb 0.09 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.80 1fnt n TYR 137 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1fnt h ASP 139 N 0.00 -0.65 -0.08 0.00 3.58 -1.71 -2.94 116.42 114.62 1fnt h ASP 139 Ca 0.00 0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.56 1fnt h ASP 139 Cb 0.00 0.29 -0.00 0.00 1.72 0.00 0.00 39.33 41.34 1fnt h ASP 139 CO 0.00 -0.26 0.04 0.50 -2.88 0.00 0.00 179.24 176.63 1fnt h LYS 140 N -0.27 0.11 -1.73 0.28 1.63 -0.45 -3.18 116.57 112.96 1fnt h LYS 140 Ca 0.10 -0.02 -0.45 0.00 -0.85 0.00 0.00 60.65 59.43 1fnt h LYS 140 Cb 0.42 -0.02 -0.17 0.00 -0.60 0.00 0.00 32.23 31.85 1fnt h LYS 140 CO -0.28 0.19 0.46 0.09 -3.45 0.00 0.00 179.45 176.46 1fnt n ASN 141 N -4.97 6.61 -4.00 4.20 4.13 -0.13 -4.88 115.26 116.22 1fnt n ASN 141 Ca -0.06 -3.22 -0.31 0.00 1.68 0.00 0.00 54.58 52.67 1fnt n ASN 141 Cb 0.09 -1.14 -0.15 0.00 -1.54 0.00 0.00 39.78 37.04 1fnt n ASN 141 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1fnt s PHE 142 N -2.00 3.00 0.07 3.10 5.36 -1.12 -4.86 117.98 121.54 1fnt s PHE 142 Ca 0.48 -2.25 -0.14 0.00 -0.96 0.00 0.00 56.93 54.06 1fnt s PHE 142 Cb 0.34 -2.02 -0.06 0.00 -0.34 0.00 0.00 43.02 40.94 1fnt s PHE 142 CO -0.13 -0.86 0.47 0.50 -1.46 0.00 0.00 175.22 173.74 1fnt s ARG 143 N 1.18 3.92 -0.45 10.12 3.52 -1.26 -4.99 118.95 131.00 1fnt s ARG 143 Ca -0.02 0.40 -0.27 0.00 -0.13 0.00 0.00 55.73 55.71 1fnt s ARG 143 Cb -0.19 -3.07 -0.05 0.00 -1.56 0.00 0.00 34.95 30.08 1fnt s ARG 143 CO -0.07 0.58 2.17 -2.00 -0.81 0.00 0.00 175.30 175.17 1fnt s GLU 144 N -1.59 2.58 0.56 5.12 2.56 -1.26 -4.57 118.70 122.10 1fnt s GLU 144 Ca 0.31 1.35 0.00 0.00 0.00 0.00 0.00 54.97 56.63 1fnt s GLU 144 Cb -0.16 -4.45 0.00 0.00 2.00 0.00 0.00 34.13 31.52 1fnt s GLU 144 CO 0.17 -2.75 0.00 0.27 -0.56 0.00 0.00 175.26 172.39 1fnt n ASN 145 N 13.66 -8.51 0.00 -1.70 0.23 -1.26 -5.02 115.26 112.66 1fnt n ASN 145 Ca 0.30 1.55 0.00 0.00 -0.53 0.00 0.00 54.58 55.89 1fnt n ASN 145 Cb 0.51 -5.10 0.00 0.00 -2.08 0.00 0.00 39.78 33.11 1fnt n ASN 145 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 1fnt n MET 146 N -1.72 0.33 -3.97 -3.83 0.00 -1.26 -4.88 117.12 101.78 1fnt n MET 146 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 57.70 57.47 1fnt n MET 146 Cb 0.23 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.39 1fnt n MET 146 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1fnt s SER 147 N 1.00 4.64 0.05 7.83 1.04 -1.26 -3.41 113.70 123.59 1fnt s SER 147 Ca 0.00 -0.92 -0.15 0.00 0.48 0.00 0.00 55.95 55.35 1fnt s SER 147 Cb 0.00 -0.56 -0.06 0.00 0.10 0.00 0.00 66.02 65.50 1fnt s SER 147 CO 0.00 -0.52 1.25 0.50 0.98 0.00 0.00 173.24 175.45 1fnt h LYS 148 N 1.35 -0.26 -0.22 4.02 3.64 -2.00 0.37 116.57 123.46 1fnt h LYS 148 Ca -0.43 0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 58.86 1fnt h LYS 148 Cb 1.26 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.12 1fnt h LYS 148 CO 0.65 -0.17 -0.34 1.05 -2.27 0.00 0.00 179.45 178.37 1fnt h GLU 149 N -0.27 0.48 -0.60 1.90 -0.00 -2.00 -2.68 114.58 111.41 1fnt h GLU 149 Ca 0.01 -0.21 0.04 0.00 -0.00 0.00 0.00 59.36 59.20 1fnt h GLU 149 Cb 0.31 -0.01 -0.04 0.00 -0.00 0.00 0.00 28.75 29.00 1fnt h GLU 149 CO -0.19 0.76 0.34 1.49 -0.00 0.00 0.00 179.01 181.41 1fnt h GLU 150 N 0.41 0.65 -0.20 1.06 4.81 -1.76 -2.90 114.58 116.64 1fnt h GLU 150 Ca 0.05 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 1fnt h GLU 150 Cb 0.80 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 1fnt h GLU 150 CO 0.06 0.43 -0.15 1.15 -0.73 0.00 0.00 179.01 179.77 1fnt h THR 151 N 0.66 1.32 -0.05 0.32 2.02 -0.19 -3.22 112.91 113.78 1fnt h THR 151 Ca 0.25 -1.27 0.02 0.00 0.77 0.00 0.00 66.41 66.18 1fnt h THR 151 Cb 0.09 1.70 -0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1fnt h THR 151 CO -0.14 0.39 0.96 0.58 0.37 0.00 0.00 175.52 177.68 1fnt h VAL 152 N 0.15 0.00 0.19 3.16 2.07 -1.26 0.44 116.25 121.00 1fnt h VAL 152 Ca 0.04 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.23 1fnt h VAL 152 Cb 0.67 0.06 0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1fnt h VAL 152 CO 0.04 0.00 -1.53 0.44 0.02 0.00 0.00 177.57 176.54 1fnt h ASP 153 N 0.00 0.63 -0.12 0.57 5.19 -1.65 -1.04 116.42 120.00 1fnt h ASP 153 Ca 0.02 -0.78 0.04 0.00 -0.62 0.00 0.00 57.03 55.70 1fnt h ASP 153 Cb 1.94 -0.21 -0.05 0.00 0.18 0.00 0.00 39.33 41.18 1fnt h ASP 153 CO -0.00 1.63 -0.23 0.15 -3.12 0.00 0.00 179.24 177.66 1fnt h PHE 154 N 0.11 -0.62 0.17 4.55 3.57 -0.31 0.59 116.94 125.00 1fnt h PHE 154 Ca -0.26 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.27 1fnt h PHE 154 Cb 2.09 0.29 -0.03 0.00 2.79 0.00 0.00 35.95 41.10 1fnt h PHE 154 CO 0.10 -0.32 -0.38 0.82 -2.23 0.00 0.00 178.31 176.30 1fnt h ILE 155 N -0.30 0.00 -0.66 1.41 2.04 -1.63 0.25 117.51 118.62 1fnt h ILE 155 Ca 0.10 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.08 1fnt h ILE 155 Cb 0.45 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.40 1fnt h ILE 155 CO -0.29 0.00 -0.29 0.11 0.00 0.00 0.00 178.15 177.67 1fnt h LYS 156 N -0.60 -0.10 0.05 2.37 1.57 0.22 -0.08 116.57 119.99 1fnt h LYS 156 Ca -0.02 0.01 -0.23 0.00 -1.87 0.00 0.00 60.65 58.54 1fnt h LYS 156 Cb 0.58 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 1fnt h LYS 156 CO -0.16 -0.07 -1.09 0.45 -0.57 0.00 0.00 179.45 178.02 1fnt h HIS 157 N -0.11 0.18 0.53 -1.35 3.86 0.40 -1.60 115.15 117.06 1fnt h HIS 157 Ca 0.27 -0.13 -0.02 0.00 -1.16 0.00 0.00 60.37 59.33 1fnt h HIS 157 Cb 0.55 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.01 1fnt h HIS 157 CO -0.64 1.10 -0.29 0.77 0.86 0.00 0.00 177.93 179.74 1fnt h SER 158 N 0.03 -0.70 -0.83 2.45 0.02 -0.05 -2.50 113.55 111.97 1fnt h SER 158 Ca -0.05 0.03 0.06 0.00 -0.84 0.00 0.00 61.79 60.99 1fnt h SER 158 Cb 1.84 0.19 -0.05 0.00 0.14 0.00 0.00 62.40 64.52 1fnt h SER 158 CO 0.16 -0.47 0.54 -0.07 -1.14 0.00 0.00 176.83 175.85 1fnt h LEU 159 N -0.76 0.82 0.38 5.07 4.07 -1.08 -2.99 115.31 120.82 1fnt h LEU 159 Ca -0.07 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.88 1fnt h LEU 159 Cb 0.60 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.17 1fnt h LEU 159 CO 0.09 0.53 -0.18 0.77 -1.08 0.00 0.00 178.44 178.57 1fnt h SER 160 N 0.93 -0.43 -0.12 -0.43 4.64 -0.90 -2.93 113.55 114.30 1fnt h SER 160 Ca 0.35 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.66 1fnt h SER 160 Cb 0.19 0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1fnt h SER 160 CO -0.12 -0.30 0.02 1.56 -0.87 0.00 0.00 176.83 177.12 1fnt h GLN 161 N -0.51 0.29 -0.08 4.77 1.08 -1.36 -2.28 115.11 117.01 1fnt h GLN 161 Ca -0.05 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.08 1fnt h GLN 161 Cb 0.39 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.76 1fnt h GLN 161 CO 0.08 0.30 -0.08 0.00 -0.95 0.00 0.00 178.83 178.18 1fnt h ALA 162 N 1.75 1.73 -0.02 3.87 0.00 -1.37 -1.78 119.26 123.43 1fnt h ALA 162 Ca 0.07 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1fnt h ALA 162 Cb 0.16 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1fnt h ALA 162 CO 0.00 0.21 -0.40 0.82 0.00 0.00 0.00 179.25 179.88 1fnt h ILE 163 N 0.12 1.47 0.00 0.00 1.08 -1.32 -2.75 117.51 116.11 1fnt h ILE 163 Ca 0.03 -1.95 0.00 0.00 -0.39 0.00 0.00 64.86 62.54 1fnt h ILE 163 Cb 0.21 2.61 0.00 0.00 -3.07 0.00 0.00 36.82 36.57 1fnt h ILE 163 CO 0.01 0.55 0.32 0.50 -0.69 0.00 0.00 178.15 178.84 1fnt h LYS 164 N -0.27 0.00 0.00 2.37 3.64 -1.05 -2.80 116.57 118.45 1fnt h LYS 164 Ca -0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1fnt h LYS 164 Cb 1.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1fnt h LYS 164 CO 0.08 0.00 0.00 0.91 -2.27 0.00 0.00 179.45 178.17 1fnt n TRP 165 N -2.64 0.00 -3.61 1.91 7.02 -1.09 -5.00 117.44 114.04 1fnt n TRP 165 Ca -0.02 -0.01 -0.29 0.00 -1.02 0.00 0.00 57.50 56.16 1fnt n TRP 165 Cb 0.36 -0.00 -0.14 0.00 -2.42 0.00 0.00 31.31 29.10 1fnt n TRP 165 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1fnt s ASP 166 N -0.02 3.59 0.30 -0.99 2.15 -1.04 -5.01 116.67 115.66 1fnt s ASP 166 Ca 0.00 -1.76 0.02 0.00 0.43 0.00 0.00 52.55 51.25 1fnt s ASP 166 Cb 0.00 -0.61 0.59 0.00 -0.30 0.00 0.00 42.92 42.60 1fnt s ASP 166 CO 0.00 -0.38 1.87 1.23 -0.17 0.00 0.00 175.17 177.71 1fnt h GLY 167 N 7.80 1.46 1.86 2.66 0.00 -1.86 -1.65 103.07 113.35 1fnt h GLY 167 Ca -0.10 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1fnt h GLY 167 CO 0.42 0.20 0.02 -1.14 0.00 0.00 0.00 176.54 176.04 1fnt n SER 168 N -4.56 0.00 -3.87 0.19 3.41 -1.26 -4.37 113.62 103.16 1fnt n SER 168 Ca 0.17 0.46 -0.22 0.00 -0.26 0.00 0.00 58.87 59.02 1fnt n SER 168 Cb 0.32 -0.46 -0.17 0.00 -0.26 0.00 0.00 64.21 63.65 1fnt n SER 168 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1fnt s SER 169 N -2.91 1.33 0.00 4.04 1.04 -0.62 -1.65 113.70 114.94 1fnt s SER 169 Ca 0.00 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1fnt s SER 169 Cb 0.00 -0.52 0.00 0.00 0.10 0.00 0.00 66.02 65.60 1fnt s SER 169 CO 0.00 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.73 1fnt n GLY 170 N 4.46 1.98 6.52 7.32 0.00 -1.26 -4.47 105.19 119.73 1fnt n GLY 170 Ca -0.18 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1fnt n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fnt n GLY 171 N 0.00 0.24 4.00 -0.02 0.00 -1.26 -2.04 105.19 106.11 1fnt n GLY 171 Ca 0.00 -1.02 -0.18 0.00 0.00 0.00 0.00 46.02 44.82 1fnt n GLY 171 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1fnt s VAL 172 N 0.00 2.66 0.13 1.61 -7.23 -1.26 -4.80 120.40 111.51 1fnt s VAL 172 Ca 0.00 -1.04 0.03 0.00 -1.81 0.00 0.00 61.98 59.16 1fnt s VAL 172 Cb 0.00 -2.70 -0.04 0.00 0.56 0.00 0.00 36.38 34.20 1fnt s VAL 172 CO 0.00 0.00 0.19 -0.63 -0.31 0.00 0.00 175.10 174.35 1fnt s ILE 173 N -2.47 4.93 -0.14 -0.62 1.01 -1.25 -2.96 121.20 119.70 1fnt s ILE 173 Ca 0.56 -0.80 -0.07 0.00 0.00 0.00 0.00 60.65 60.34 1fnt s ILE 173 Cb -0.08 -3.49 0.06 0.00 0.01 0.00 0.00 42.46 38.95 1fnt s ILE 173 CO 0.34 -0.04 0.33 -0.13 0.00 0.00 0.00 174.94 175.45 1fnt s ARG 174 N -2.98 0.29 0.26 2.79 0.52 -1.03 -2.89 118.95 115.92 1fnt s ARG 174 Ca 0.33 0.71 0.11 0.00 -0.52 0.00 0.00 55.73 56.36 1fnt s ARG 174 Cb -0.11 -0.03 -0.05 0.00 0.52 0.00 0.00 34.95 35.28 1fnt s ARG 174 CO 0.26 -0.18 -0.19 -1.64 0.02 0.00 0.00 175.30 173.56 1fnt s MET 175 N 1.58 1.61 -0.16 3.54 -1.94 -1.18 -2.43 119.30 120.32 1fnt s MET 175 Ca -0.08 -1.72 -0.03 0.00 -1.71 0.00 0.00 55.69 52.15 1fnt s MET 175 Cb -0.10 -1.66 0.05 0.00 2.01 0.00 0.00 34.83 35.13 1fnt s MET 175 CO -0.11 0.31 0.03 0.08 -0.01 0.00 0.00 175.02 175.32 1fnt s VAL 176 N -2.54 0.44 -0.39 -6.03 1.01 -0.64 -1.67 120.40 110.59 1fnt s VAL 176 Ca 0.28 -0.33 -0.23 0.00 0.00 0.00 0.00 61.98 61.71 1fnt s VAL 176 Cb -0.04 -0.85 0.01 0.00 0.00 0.00 0.00 36.38 35.49 1fnt s VAL 176 CO 0.13 -0.07 0.75 -0.69 0.00 0.00 0.00 175.10 175.23 1fnt s VAL 177 N 1.91 4.74 -0.35 2.92 1.01 -0.21 -2.96 120.40 127.45 1fnt s VAL 177 Ca 0.01 0.68 -0.07 0.00 0.00 0.00 0.00 61.98 62.60 1fnt s VAL 177 Cb -0.16 -4.22 0.04 0.00 0.00 0.00 0.00 36.38 32.05 1fnt s VAL 177 CO -0.07 -0.50 0.14 -0.76 0.00 0.00 0.00 175.10 173.91 1fnt s LEU 178 N 3.08 4.49 0.00 3.92 2.01 -1.14 -1.17 118.68 129.87 1fnt s LEU 178 Ca 0.29 -1.19 0.02 0.00 0.01 0.00 0.00 54.13 53.26 1fnt s LEU 178 Cb -0.13 -1.90 -0.01 0.00 0.01 0.00 0.00 46.19 44.16 1fnt s LEU 178 CO 0.18 -0.36 0.15 0.35 1.01 0.00 0.00 176.35 177.67 1fnt n THR 179 N 4.84 0.00 -0.17 5.49 -2.24 -0.21 -3.46 114.28 118.53 1fnt n THR 179 Ca -0.12 -0.92 -0.08 0.00 -2.27 0.00 0.00 64.05 60.67 1fnt n THR 179 Cb 0.44 0.49 0.01 0.00 -2.10 0.00 0.00 70.33 69.18 1fnt n THR 179 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fnt h ALA 180 N 1.52 0.64 0.07 6.98 0.00 -1.98 -2.53 119.26 123.96 1fnt h ALA 180 Ca -0.10 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1fnt h ALA 180 Cb 0.50 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1fnt h ALA 180 CO 0.15 0.15 -0.28 0.00 0.00 0.00 0.00 179.25 179.27 1fnt h ALA 181 N 1.12 -0.80 0.00 0.00 0.00 -1.95 -3.49 119.26 114.14 1fnt h ALA 181 Ca 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1fnt h ALA 181 Cb 0.04 0.68 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1fnt h ALA 181 CO -0.03 -0.86 0.00 0.41 0.00 0.00 0.00 179.25 178.77 1fnt n GLY 182 N -1.26 -0.43 3.74 0.00 0.00 -0.95 -5.12 105.19 101.17 1fnt n GLY 182 Ca -0.05 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 1fnt n GLY 182 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1fnt s VAL 183 N -4.00 5.21 -0.11 1.61 -7.23 -1.24 -1.04 120.40 113.61 1fnt s VAL 183 Ca 0.00 0.11 0.02 0.00 -1.81 0.00 0.00 61.98 60.30 1fnt s VAL 183 Cb 0.00 -3.33 0.01 0.00 0.56 0.00 0.00 36.38 33.62 1fnt s VAL 183 CO 0.00 0.50 -0.17 -0.70 -0.31 0.00 0.00 175.10 174.43 1fnt s GLU 184 N -0.09 2.34 -0.74 4.82 -6.30 -0.32 -4.94 118.70 113.47 1fnt s GLU 184 Ca 0.09 -0.61 -0.18 0.00 -2.50 0.00 0.00 54.97 51.77 1fnt s GLU 184 Cb -0.12 -1.94 0.13 0.00 0.00 0.00 0.00 34.13 32.20 1fnt s GLU 184 CO 0.00 -0.03 0.86 1.03 0.02 0.00 0.00 175.26 177.15 1fnt s ARG 185 N 0.88 3.31 0.74 4.30 1.81 -1.26 -1.05 118.95 127.68 1fnt s ARG 185 Ca -0.09 -1.61 -0.10 0.00 -1.72 0.00 0.00 55.73 52.22 1fnt s ARG 185 Cb -0.15 -4.48 0.06 0.00 -0.45 0.00 0.00 34.95 29.93 1fnt s ARG 185 CO -0.00 -1.59 1.09 -0.51 -0.68 0.00 0.00 175.30 173.61 1fnt s LEU 186 N 2.37 2.72 -0.30 2.53 1.43 -0.67 -4.96 118.68 121.81 1fnt s LEU 186 Ca 0.20 0.71 -0.13 0.00 -1.03 0.00 0.00 54.13 53.88 1fnt s LEU 186 Cb -0.15 -3.32 0.18 0.00 0.03 0.00 0.00 46.19 42.93 1fnt s LEU 186 CO -0.01 -1.66 1.02 -0.51 0.23 0.00 0.00 176.35 175.42 1fnt s ILE 187 N -3.39 -0.39 -0.58 -0.59 1.10 -1.26 -3.11 121.20 112.98 1fnt s ILE 187 Ca 0.60 0.00 -0.03 0.00 -0.51 0.00 0.00 60.65 60.71 1fnt s ILE 187 Cb -0.11 -1.00 0.15 0.00 0.15 0.00 0.00 42.46 41.65 1fnt s ILE 187 CO 0.48 0.00 0.39 -0.36 -2.11 0.00 0.00 174.94 173.34 1fnt s PHE 188 N 2.86 3.44 0.26 3.50 2.99 -1.14 -5.00 117.98 124.90 1fnt s PHE 188 Ca 0.00 -2.65 -0.29 0.00 0.00 0.00 0.00 56.93 54.00 1fnt s PHE 188 Cb -0.10 -3.21 -0.14 0.00 0.00 0.00 0.00 43.02 39.57 1fnt s PHE 188 CO -0.13 -0.87 1.05 0.66 -0.00 0.00 0.00 175.22 175.93 1fnt n TYR 189 N 3.72 1.29 0.00 0.36 4.01 -1.26 -3.85 117.16 121.43 1fnt n TYR 189 Ca 0.06 0.69 0.00 0.00 -0.16 0.00 0.00 57.90 58.49 1fnt n TYR 189 Cb 0.39 -2.26 0.00 0.00 -0.31 0.00 0.00 39.34 37.15 1fnt n TYR 189 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1fnt n PRO 190 N 0.98 0.00 0.12 -0.72 -0.02 -1.26 -2.12 135.00 131.97 1fnt n PRO 190 Ca 0.11 0.17 0.01 0.00 -2.02 0.00 0.00 63.50 61.77 1fnt n PRO 190 Cb 0.30 -0.29 0.03 0.00 -0.02 0.00 0.00 33.50 33.52 1fnt n PRO 190 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1fnt n ASP 191 N -1.43 0.03 0.00 2.55 8.00 -1.26 -1.79 116.55 122.64 1fnt n ASP 191 Ca 0.00 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.71 1fnt n ASP 191 Cb 0.00 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 1fnt n ASP 191 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1fnt n GLU 192 N -1.57 0.00 -0.21 -1.24 1.02 -0.90 -3.85 120.64 113.89 1fnt n GLU 192 Ca -0.00 0.08 0.30 0.00 -0.02 0.00 0.00 57.16 57.52 1fnt n GLU 192 Cb 0.64 -0.59 0.73 0.00 -0.02 0.00 0.00 31.44 32.20 1fnt n GLU 192 CO 0.00 0.00 0.00 0.10 1.18 0.00 0.00 177.13 178.41 1fnt h TYR 193 N 0.00 0.00 -0.42 -0.32 -0.00 -1.53 -0.08 116.97 114.62 1fnt h TYR 193 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 58.73 58.60 1fnt h TYR 193 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.72 1fnt h TYR 193 CO 0.00 0.00 -0.25 0.93 -0.00 0.00 0.00 178.16 178.84 1fnt h GLU 194 N 0.00 0.88 -0.68 0.10 5.08 -1.74 -2.68 114.58 115.54 1fnt h GLU 194 Ca 0.45 -0.38 0.11 0.00 -1.00 0.00 0.00 59.36 58.55 1fnt h GLU 194 Cb 1.84 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 31.02 1fnt h GLU 194 CO -0.00 1.03 0.45 0.37 -1.00 0.00 0.00 179.01 179.86 1fnt h GLN 195 N 0.75 0.44 -0.01 2.33 5.75 -1.11 -3.52 115.11 119.74 1fnt h GLN 195 Ca 0.09 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 1fnt h GLN 195 Cb 0.81 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.26 1fnt h GLN 195 CO 0.07 0.29 0.00 1.28 -2.65 0.00 0.00 178.83 177.82