#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g4f s LYS 2 N 0.00 2.03 0.00 -0.78 -2.85 -1.26 -4.89 119.74 112.00 1g4f s LYS 2 Ca 0.00 -2.02 0.00 0.00 -1.00 0.00 0.00 55.97 52.95 1g4f s LYS 2 Cb 0.00 -3.54 0.00 0.00 -2.06 0.00 0.00 37.83 32.23 1g4f s LYS 2 CO 0.00 -1.08 0.00 0.00 0.10 0.00 0.00 175.35 174.37 1g4f n ALA 3 N 4.23 0.00 -3.00 0.59 0.00 -1.26 -4.66 120.51 116.41 1g4f n ALA 3 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1g4f n ALA 3 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 1g4f n ALA 3 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1g4f n SER 4 N 0.00 0.51 -4.05 0.00 3.41 -1.26 0.28 113.62 112.51 1g4f n SER 4 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.53 1g4f n SER 4 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 1g4f n SER 4 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g4f s LYS 6 N -2.99 3.17 -0.64 0.00 1.02 -1.26 -0.61 119.74 118.43 1g4f s LYS 6 Ca -0.02 -0.62 -0.35 0.00 0.02 0.00 0.00 55.97 55.01 1g4f s LYS 6 Cb 0.01 -3.97 -0.17 0.00 -0.52 0.00 0.00 37.83 33.19 1g4f s LYS 6 CO -0.07 -0.94 2.39 1.47 -0.92 0.00 0.00 175.35 177.29 1g4f n LEU 7 N 5.89 1.13 0.16 3.17 -0.00 -1.26 -4.75 117.00 121.34 1g4f n LEU 7 Ca -0.05 0.27 0.05 0.00 -0.00 0.00 0.00 56.01 56.27 1g4f n LEU 7 Cb 0.47 -1.09 0.48 0.00 -0.00 0.00 0.00 43.42 43.28 1g4f n LEU 7 CO 0.50 -0.85 0.97 -0.65 -0.00 0.00 0.00 177.39 177.35 1g4f h PRO 8 N 12.38 0.17 -5.93 1.47 0.11 -1.97 -3.43 132.00 134.79 1g4f h PRO 8 Ca -0.14 -0.03 -0.56 0.00 0.11 0.00 0.00 66.00 65.38 1g4f h PRO 8 Cb 1.34 -0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.33 1g4f h PRO 8 CO 1.19 0.24 -0.51 0.08 -0.21 0.00 0.00 178.00 178.80 1g4f s VAL 9 N -4.88 2.39 -0.05 3.15 1.01 -1.26 -5.04 120.40 115.72 1g4f s VAL 9 Ca -0.05 -1.71 0.03 0.00 0.00 0.00 0.00 61.98 60.25 1g4f s VAL 9 Cb 0.16 -2.98 0.05 0.00 0.00 0.00 0.00 36.38 33.60 1g4f s VAL 9 CO 0.71 -0.03 1.03 0.29 0.00 0.00 0.00 175.10 177.10 1g4f n LYS 10 N -1.22 2.78 -2.62 2.72 5.02 -1.26 -4.62 118.16 118.95 1g4f n LYS 10 Ca -0.01 -1.66 -0.02 0.00 -2.02 0.00 0.00 58.31 54.60 1g4f n LYS 10 Cb 0.64 -1.08 0.12 0.00 -0.02 0.00 0.00 35.03 34.70 1g4f n LYS 10 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1g4f n LYS 11 N -0.59 1.31 -3.34 1.97 -0.00 -1.26 -4.65 118.16 111.60 1g4f n LYS 11 Ca 0.02 -1.17 -0.38 0.00 -0.00 0.00 0.00 58.31 56.78 1g4f n LYS 11 Cb 0.31 0.40 -0.06 0.00 -0.00 0.00 0.00 35.03 35.68 1g4f n LYS 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1g4f s ALA 12 N 0.13 3.60 -0.51 0.58 0.00 -1.26 -4.95 121.76 119.35 1g4f s ALA 12 Ca 0.09 -0.06 -0.09 0.00 0.00 0.00 0.00 51.96 51.90 1g4f s ALA 12 Cb 0.43 -2.57 0.13 0.00 0.00 0.00 0.00 23.12 21.11 1g4f s ALA 12 CO -0.12 0.37 0.38 0.99 0.00 0.00 0.00 175.76 177.38 1g4f s THR 13 N -0.85 4.23 0.48 0.00 2.01 -1.26 -0.35 115.64 119.89 1g4f s THR 13 Ca 0.27 -1.98 0.08 0.00 0.31 0.00 0.00 61.69 60.37 1g4f s THR 13 Cb -0.18 -3.77 0.03 0.00 0.01 0.00 0.00 72.50 68.58 1g4f s THR 13 CO 0.16 -0.80 0.54 0.68 -0.69 0.00 0.00 174.62 174.51 1g4f s VAL 14 N 1.11 2.43 -0.17 3.82 -7.23 -0.70 -4.05 120.40 115.61 1g4f s VAL 14 Ca 0.08 -1.19 0.01 0.00 -1.81 0.00 0.00 61.98 59.07 1g4f s VAL 14 Cb -0.24 -2.62 0.02 0.00 0.56 0.00 0.00 36.38 34.09 1g4f s VAL 14 CO -0.02 0.00 -0.20 -0.69 -0.31 0.00 0.00 175.10 173.88 1g4f s VAL 15 N -2.55 2.04 -1.21 1.32 1.01 0.42 -1.80 120.40 119.63 1g4f s VAL 15 Ca 0.51 -0.93 -0.09 0.00 0.00 0.00 0.00 61.98 61.47 1g4f s VAL 15 Cb -0.05 -1.84 -0.14 0.00 0.00 0.00 0.00 36.38 34.35 1g4f s VAL 15 CO 0.31 0.54 3.14 0.00 0.00 0.00 0.00 175.10 179.08 1g4f n TYR 16 N 4.57 1.80 -3.61 5.22 4.19 0.55 -1.96 117.16 127.92 1g4f n TYR 16 Ca -0.21 -2.69 -0.23 0.00 3.31 0.00 0.00 57.90 58.09 1g4f n TYR 16 Cb 0.50 -2.27 0.04 0.00 0.49 0.00 0.00 39.34 38.11 1g4f n TYR 16 CO 0.00 0.00 0.00 1.04 0.91 0.00 0.00 176.86 178.81 1g4f n GLN 17 N 3.29 -3.64 0.00 2.98 6.02 -1.26 -3.94 117.38 120.83 1g4f n GLN 17 Ca 0.70 0.63 0.00 0.00 -0.01 0.00 0.00 57.00 58.32 1g4f n GLN 17 Cb 0.41 -5.06 0.00 0.00 1.02 0.00 0.00 30.24 26.61 1g4f n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1g4f n GLY 18 N -1.53 3.82 3.99 1.08 0.00 -1.26 -5.11 105.19 106.17 1g4f n GLY 18 Ca -0.21 -0.64 -0.18 0.00 0.00 0.00 0.00 46.02 44.98 1g4f n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1g4f s GLU 19 N 0.00 2.88 -0.01 1.61 2.02 -1.25 -5.11 118.70 118.84 1g4f s GLU 19 Ca 0.00 -1.20 0.01 0.00 0.02 0.00 0.00 54.97 53.80 1g4f s GLU 19 Cb 0.00 -2.74 0.01 0.00 0.10 0.00 0.00 34.13 31.50 1g4f s GLU 19 CO 0.00 -0.16 -0.03 1.03 0.02 0.00 0.00 175.26 176.12 1g4f s ARG 20 N -4.27 0.38 0.38 1.61 0.52 -1.26 -0.33 118.95 115.98 1g4f s ARG 20 Ca 0.51 -0.09 -0.14 0.00 -0.52 0.00 0.00 55.73 55.49 1g4f s ARG 20 Cb -0.09 -0.42 0.05 0.00 0.52 0.00 0.00 34.95 35.01 1g4f s ARG 20 CO 0.32 0.01 0.76 0.14 0.02 0.00 0.00 175.30 176.55 1g4f s VAL 21 N 0.30 0.00 -0.38 3.52 -7.23 -0.75 -4.99 120.40 110.87 1g4f s VAL 21 Ca -0.03 -1.06 -0.20 0.00 -1.81 0.00 0.00 61.98 58.88 1g4f s VAL 21 Cb -0.06 -2.87 0.01 0.00 0.56 0.00 0.00 36.38 34.02 1g4f s VAL 21 CO -0.00 0.00 0.63 -0.54 -0.31 0.00 0.00 175.10 174.87 1g4f s LYS 22 N -2.36 3.57 0.66 4.82 -0.14 -1.26 -1.72 119.74 123.31 1g4f s LYS 22 Ca 0.17 -0.08 0.29 0.00 -1.36 0.00 0.00 55.97 54.99 1g4f s LYS 22 Cb -0.05 -3.84 1.58 0.00 -1.68 0.00 0.00 37.83 33.84 1g4f s LYS 22 CO 0.12 -0.80 1.89 0.97 -0.76 0.00 0.00 175.35 176.78 1g4f h ILE 23 N 5.72 0.02 -0.00 2.17 -0.00 -1.06 1.07 117.51 125.44 1g4f h ILE 23 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.60 1g4f h ILE 23 Cb 1.11 0.65 0.00 0.00 -0.00 0.00 0.00 36.82 38.57 1g4f h ILE 23 CO 0.84 0.00 -0.08 0.00 -0.00 0.00 0.00 178.15 178.92 1g4f n GLN 24 N -2.93 0.17 -0.01 2.19 10.64 -1.26 -3.01 117.38 123.17 1g4f n GLN 24 Ca -0.01 -0.03 -0.02 0.00 -1.83 0.00 0.00 57.00 55.11 1g4f n GLN 24 Cb 0.41 -1.50 -0.01 0.00 -0.86 0.00 0.00 30.24 28.29 1g4f n GLN 24 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1g4f n GLU 25 N -1.39 0.13 0.07 2.61 1.02 0.36 -4.00 120.64 119.44 1g4f n GLU 25 Ca 0.09 0.05 0.19 0.00 -0.02 0.00 0.00 57.16 57.47 1g4f n GLU 25 Cb 0.31 -0.60 0.72 0.00 -0.02 0.00 0.00 31.44 31.85 1g4f n GLU 25 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1g4f h LYS 26 N -0.24 0.00 -1.13 3.49 1.63 -1.61 -1.42 116.57 117.29 1g4f h LYS 26 Ca 0.00 0.00 -0.59 0.00 -0.85 0.00 0.00 60.65 59.21 1g4f h LYS 26 Cb 0.24 0.00 -0.41 0.00 -0.60 0.00 0.00 32.23 31.47 1g4f h LYS 26 CO 0.00 0.00 -0.55 1.19 -3.45 0.00 0.00 179.45 176.64 1g4f n PHE 27 N -4.20 3.05 -0.34 1.91 3.72 -1.17 -4.83 117.46 115.61 1g4f n PHE 27 Ca 0.07 -2.62 0.21 0.00 -0.05 0.00 0.00 57.45 55.06 1g4f n PHE 27 Cb 0.52 -0.37 0.44 0.00 -0.94 0.00 0.00 39.48 39.13 1g4f n PHE 27 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1g4f h LYS 28 N 2.36 0.43 -1.01 -1.08 1.63 -1.39 0.44 116.57 117.96 1g4f h LYS 28 Ca 0.37 -0.03 -0.64 0.00 -0.85 0.00 0.00 60.65 59.51 1g4f h LYS 28 Cb 1.17 -0.10 -0.29 0.00 -0.60 0.00 0.00 32.23 32.41 1g4f h LYS 28 CO 0.89 0.28 0.83 0.09 -3.45 0.00 0.00 179.45 178.09 1g4f n ASN 29 N -4.95 6.83 0.00 4.20 5.03 -1.26 -4.97 115.26 120.14 1g4f n ASN 29 Ca 0.29 -3.74 0.00 0.00 0.87 0.00 0.00 54.58 52.00 1g4f n ASN 29 Cb 0.88 -0.95 0.00 0.00 -1.02 0.00 0.00 39.78 38.69 1g4f n ASN 29 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1g4f n GLY 30 N -0.95 -0.51 3.93 7.41 0.00 0.15 -4.84 105.19 110.38 1g4f n GLY 30 Ca 0.62 -1.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.61 1g4f n GLY 30 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1g4f s MET 31 N -1.72 3.43 0.76 1.61 1.00 0.22 -4.55 119.30 120.05 1g4f s MET 31 Ca 0.00 -0.51 -0.11 0.00 0.00 0.00 0.00 55.69 55.07 1g4f s MET 31 Cb 0.00 -3.00 0.05 0.00 0.00 0.00 0.00 34.83 31.88 1g4f s MET 31 CO 0.00 0.57 1.08 -0.51 0.00 0.00 0.00 175.02 176.16 1g4f s LEU 32 N -2.84 2.92 0.45 -0.03 2.01 -1.26 0.21 118.68 120.14 1g4f s LEU 32 Ca 0.35 1.63 -0.24 0.00 0.01 0.00 0.00 54.13 55.88 1g4f s LEU 32 Cb -0.12 -4.35 -0.07 0.00 0.01 0.00 0.00 46.19 41.65 1g4f s LEU 32 CO 0.28 -1.87 1.23 -2.28 1.01 0.00 0.00 176.35 174.72 1g4f s HIS 33 N -3.00 2.80 -0.01 0.29 5.65 0.14 -2.43 115.29 118.74 1g4f s HIS 33 Ca 0.60 1.48 0.00 0.00 0.25 0.00 0.00 55.06 57.39 1g4f s HIS 33 Cb -0.16 -3.52 0.00 0.00 -1.18 0.00 0.00 32.58 27.73 1g4f s HIS 33 CO 0.55 -1.84 0.00 0.41 -0.65 0.00 0.00 174.74 173.21 1g4f n GLY 34 N 0.58 0.31 3.73 1.59 0.00 0.94 -4.97 105.19 107.37 1g4f n GLY 34 Ca 0.06 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1g4f n GLY 34 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1g4f s ASP 35 N -2.01 7.10 -0.15 1.61 1.11 -1.02 -4.71 116.67 118.60 1g4f s ASP 35 Ca 0.00 2.17 -0.02 0.00 0.18 0.00 0.00 52.55 54.89 1g4f s ASP 35 Cb 0.00 -2.60 -0.01 0.00 1.07 0.00 0.00 42.92 41.37 1g4f s ASP 35 CO 0.00 -0.38 -0.10 -0.54 1.18 0.00 0.00 175.17 175.34 1g4f s LYS 36 N 0.03 3.43 -0.01 8.23 1.02 -1.26 -0.17 119.74 131.01 1g4f s LYS 36 Ca 0.54 -0.65 0.00 0.00 0.02 0.00 0.00 55.97 55.88 1g4f s LYS 36 Cb -0.32 -2.76 0.01 0.00 -0.52 0.00 0.00 37.83 34.24 1g4f s LYS 36 CO 0.35 0.12 0.01 0.14 -0.92 0.00 0.00 175.35 175.05 1g4f s VAL 37 N 0.61 -0.01 -0.02 3.17 -7.23 -0.37 -4.57 120.40 111.98 1g4f s VAL 37 Ca -0.06 0.06 -0.01 0.00 -1.81 0.00 0.00 61.98 60.16 1g4f s VAL 37 Cb -0.15 -0.04 -0.04 0.00 0.56 0.00 0.00 36.38 36.71 1g4f s VAL 37 CO 0.03 0.03 0.06 -0.44 -0.31 0.00 0.00 175.10 174.46 1g4f s SER 38 N 0.29 5.54 -0.08 4.85 0.01 -0.83 0.22 113.70 123.71 1g4f s SER 38 Ca -0.02 0.13 -0.05 0.00 1.31 0.00 0.00 55.95 57.32 1g4f s SER 38 Cb -0.04 -1.57 -0.04 0.00 0.21 0.00 0.00 66.02 64.58 1g4f s SER 38 CO -0.01 0.29 0.12 -0.36 0.41 0.00 0.00 173.24 173.70 1g4f s PHE 39 N -1.13 3.49 0.10 2.43 0.40 -0.97 -0.44 117.98 121.86 1g4f s PHE 39 Ca 0.21 0.40 -0.29 0.00 -0.60 0.00 0.00 56.93 56.65 1g4f s PHE 39 Cb -0.12 -1.87 -0.06 0.00 0.51 0.00 0.00 43.02 41.49 1g4f s PHE 39 CO 0.11 0.66 0.94 -0.06 0.70 0.00 0.00 175.22 177.57 1g4f s PHE 40 N -1.10 3.80 0.06 0.36 0.08 -1.26 0.08 117.98 120.01 1g4f s PHE 40 Ca 0.18 1.76 -0.02 0.00 0.12 0.00 0.00 56.93 58.98 1g4f s PHE 40 Cb -0.12 -3.03 -0.04 0.00 -0.57 0.00 0.00 43.02 39.26 1g4f s PHE 40 CO 0.08 0.21 -0.01 0.00 -0.10 0.00 0.00 175.22 175.40 1g4f s LYS 42 N -3.93 2.98 -0.28 0.00 0.00 -1.26 -0.78 119.74 116.48 1g4f s LYS 42 Ca 0.08 -0.54 -0.02 0.00 0.00 0.00 0.00 55.97 55.49 1g4f s LYS 42 Cb 0.08 -2.80 0.04 0.00 0.00 0.00 0.00 37.83 35.14 1g4f s LYS 42 CO -0.09 0.63 -0.02 1.21 0.00 0.00 0.00 175.35 177.08 1g4f s ASN 43 N -1.76 4.67 0.43 0.03 3.84 0.46 -4.94 114.94 117.66 1g4f s ASN 43 Ca 0.23 -1.04 0.27 0.00 0.21 0.00 0.00 52.86 52.53 1g4f s ASN 43 Cb -0.12 -1.71 0.78 0.00 -0.55 0.00 0.00 41.25 39.65 1g4f s ASN 43 CO 0.14 -0.20 1.76 0.50 -2.79 0.00 0.00 177.10 176.51 1g4f h LYS 44 N 8.03 0.00 0.00 0.43 3.64 -1.97 0.41 116.57 127.12 1g4f h LYS 44 Ca -0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1g4f h LYS 44 Cb 1.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1g4f h LYS 44 CO 0.56 0.00 -0.77 1.49 -2.27 0.00 0.00 179.45 178.46 1g4f h GLU 45 N 0.00 0.00 0.00 1.90 4.81 -1.95 -3.35 114.58 115.99 1g4f h GLU 45 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1g4f h GLU 45 Cb 0.76 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1g4f h GLU 45 CO 0.00 0.00 -0.78 1.63 -0.73 0.00 0.00 179.01 179.13 1g4f n LYS 46 N -2.62 2.66 -2.13 1.92 4.76 -1.14 -5.00 118.16 116.61 1g4f n LYS 46 Ca 0.01 -0.03 -0.11 0.00 -2.87 0.00 0.00 58.31 55.32 1g4f n LYS 46 Cb 0.52 -0.98 -0.01 0.00 -1.84 0.00 0.00 35.03 32.73 1g4f n LYS 46 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1g4f n LYS 47 N -1.43 -0.84 -2.37 1.97 5.02 0.14 -4.99 118.16 115.67 1g4f n LYS 47 Ca 0.00 0.54 -0.05 0.00 -2.02 0.00 0.00 58.31 56.79 1g4f n LYS 47 Cb 0.14 -4.62 -0.01 0.00 -0.02 0.00 0.00 35.03 30.51 1g4f n LYS 47 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1g4f s SER 49 N -1.72 4.13 0.33 0.00 1.04 -0.89 0.17 113.70 116.76 1g4f s SER 49 Ca 0.10 -1.29 -0.16 0.00 0.48 0.00 0.00 55.95 55.07 1g4f s SER 49 Cb -0.00 -0.30 0.03 0.00 0.10 0.00 0.00 66.02 65.85 1g4f s SER 49 CO 0.07 -0.55 0.70 -0.72 0.98 0.00 0.00 173.24 173.71 1g4f s TYR 50 N -2.69 0.12 0.01 5.02 1.13 0.04 -2.44 117.35 118.54 1g4f s TYR 50 Ca 0.34 -0.64 0.03 0.00 -1.41 0.00 0.00 57.07 55.39 1g4f s TYR 50 Cb 0.06 0.63 -0.03 0.00 -1.10 0.00 0.00 41.96 41.52 1g4f s TYR 50 CO 0.18 -1.34 -0.04 0.95 -2.51 0.00 0.00 175.55 172.79 1g4f s THR 51 N -3.18 3.86 -0.91 -3.49 -4.23 -1.26 -0.85 115.64 105.59 1g4f s THR 51 Ca 0.16 -0.72 -0.02 0.00 -1.18 0.00 0.00 61.69 59.93 1g4f s THR 51 Cb -0.04 -2.71 0.22 0.00 1.34 0.00 0.00 72.50 71.31 1g4f s THR 51 CO 0.10 0.37 0.80 -1.61 -0.54 0.00 0.00 174.62 173.75 1g4f s GLU 52 N -1.51 3.34 0.33 3.99 0.41 0.11 -4.76 118.70 120.62 1g4f s GLU 52 Ca 0.18 -3.28 -0.24 0.00 -0.41 0.00 0.00 54.97 51.23 1g4f s GLU 52 Cb -0.11 -4.00 -0.16 0.00 -1.78 0.00 0.00 34.13 28.08 1g4f s GLU 52 CO 0.09 -1.26 0.25 -0.25 -0.49 0.00 0.00 175.26 173.60 1g4f n ASP 53 N 2.35 -2.26 -4.18 -0.19 8.00 -1.26 -2.30 116.55 116.71 1g4f n ASP 53 Ca 0.22 0.93 -0.11 0.00 0.71 0.00 0.00 54.79 56.53 1g4f n ASP 53 Cb 0.37 -0.91 -0.10 0.00 -0.02 0.00 0.00 41.12 40.46 1g4f n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1g4f s ALA 54 N -1.43 1.05 -0.00 2.24 0.00 0.60 -4.82 121.76 119.40 1g4f s ALA 54 Ca 0.61 -1.59 -0.00 0.00 0.00 0.00 0.00 51.96 50.97 1g4f s ALA 54 Cb -0.74 1.09 -0.00 0.00 0.00 0.00 0.00 23.12 23.47 1g4f s ALA 54 CO 0.60 -0.52 0.01 -1.14 0.00 0.00 0.00 175.76 174.71 1g4f s GLN 55 N -4.09 0.04 -0.10 0.00 0.74 -1.26 -1.24 119.66 113.74 1g4f s GLN 55 Ca 0.31 -0.03 -0.10 0.00 0.05 0.00 0.00 55.36 55.60 1g4f s GLN 55 Cb 0.07 0.01 -0.05 0.00 1.10 0.00 0.00 33.01 34.15 1g4f s GLN 55 CO 0.07 -0.01 0.22 0.00 -0.55 0.00 0.00 175.29 175.02 1g4f n ILE 57 N 2.27 0.00 -0.89 0.00 2.08 0.88 -0.04 119.36 123.66 1g4f n ILE 57 Ca -0.17 -1.51 -0.31 0.00 0.56 0.00 0.00 62.75 61.31 1g4f n ILE 57 Cb 0.54 -0.15 -0.11 0.00 -0.75 0.00 0.00 39.64 39.16 1g4f n ILE 57 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1g4f n ASP 58 N -1.86 0.93 0.00 4.38 2.03 -1.26 -3.30 116.55 117.47 1g4f n ASP 58 Ca -0.02 -2.37 0.00 0.00 0.52 0.00 0.00 54.79 52.92 1g4f n ASP 58 Cb 0.43 -0.89 0.00 0.00 -0.72 0.00 0.00 41.12 39.95 1g4f n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1g4f n GLY 59 N 5.29 2.92 3.78 0.27 0.00 0.36 -4.81 105.19 113.00 1g4f n GLY 59 Ca 0.41 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 1g4f n GLY 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g4f s THR 60 N -2.20 4.69 0.10 2.61 2.01 -1.21 -4.15 115.64 117.50 1g4f s THR 60 Ca 0.00 -0.52 -0.11 0.00 0.31 0.00 0.00 61.69 61.37 1g4f s THR 60 Cb 0.00 -3.19 0.01 0.00 0.01 0.00 0.00 72.50 69.33 1g4f s THR 60 CO 0.00 0.27 0.25 -0.51 -0.69 0.00 0.00 174.62 173.94 1g4f s ILE 61 N -1.27 0.12 0.03 1.82 -1.16 -1.26 -0.09 121.20 119.39 1g4f s ILE 61 Ca 0.25 -0.99 0.09 0.00 -0.51 0.00 0.00 60.65 59.49 1g4f s ILE 61 Cb -0.12 -1.28 -0.03 0.00 0.61 0.00 0.00 42.46 41.64 1g4f s ILE 61 CO 0.17 -0.55 -0.26 -1.61 -2.81 0.00 0.00 174.94 169.88 1g4f s GLU 62 N -3.83 1.88 -0.06 3.50 2.02 -1.26 -5.01 118.70 115.94 1g4f s GLU 62 Ca 0.04 -1.05 0.02 0.00 0.02 0.00 0.00 54.97 54.00 1g4f s GLU 62 Cb 0.04 -1.98 -0.03 0.00 0.10 0.00 0.00 34.13 32.26 1g4f s GLU 62 CO -0.11 0.52 -0.08 0.54 0.02 0.00 0.00 175.26 176.14 1g4f s VAL 63 N -0.75 3.56 -0.03 2.63 0.11 -1.26 -4.60 120.40 120.06 1g4f s VAL 63 Ca 0.11 -0.56 -0.30 0.00 -2.93 0.00 0.00 61.98 58.30 1g4f s VAL 63 Cb -0.10 -2.45 -0.07 0.00 -1.53 0.00 0.00 36.38 32.23 1g4f s VAL 63 CO 0.01 0.58 1.91 -2.16 -3.33 0.00 0.00 175.10 172.11 1g4f s PRO 64 N -0.86 3.99 0.60 1.54 0.05 -1.26 -4.83 135.00 134.23 1g4f s PRO 64 Ca 0.13 2.38 0.29 0.00 0.05 0.00 0.00 61.00 63.84 1g4f s PRO 64 Cb -0.11 -4.15 1.45 0.00 0.05 0.00 0.00 34.50 31.74 1g4f s PRO 64 CO 0.02 -1.11 1.86 -0.22 0.05 0.00 0.00 177.00 177.59 1g4f h LYS 65 N 11.00 0.00 -0.57 4.56 1.63 -2.00 0.24 116.57 131.42 1g4f h LYS 65 Ca -0.45 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.34 1g4f h LYS 65 Cb 1.22 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.82 1g4f h LYS 65 CO 0.95 0.00 0.33 0.00 -3.45 0.00 0.00 179.45 177.28 1g4f n PHE 67 N -4.41 1.93 -2.16 0.00 7.35 0.83 -4.85 117.46 116.15 1g4f n PHE 67 Ca 0.05 0.47 -0.42 0.00 -0.76 0.00 0.00 57.45 56.79 1g4f n PHE 67 Cb 0.08 -2.43 0.00 0.00 0.35 0.00 0.00 39.48 37.48 1g4f n PHE 67 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1g4f n LYS 68 N 2.40 3.79 -0.36 -4.13 5.02 -1.26 -4.74 118.16 118.88 1g4f n LYS 68 Ca 0.15 -3.37 0.05 0.00 -2.02 0.00 0.00 58.31 53.11 1g4f n LYS 68 Cb 0.28 -2.88 0.22 0.00 -0.02 0.00 0.00 35.03 32.63 1g4f n LYS 68 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1g4f h GLU 69 N 5.46 1.03 0.00 1.97 4.81 -1.91 -3.34 114.58 122.60 1g4f h GLU 69 Ca 0.50 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 1g4f h GLU 69 Cb 0.54 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1g4f h GLU 69 CO 1.62 0.68 -0.11 0.72 -0.73 0.00 0.00 179.01 181.19 1g4f n HIS 70 N -4.56 0.05 0.00 0.92 8.25 -1.26 -5.06 115.22 113.56 1g4f n HIS 70 Ca 0.17 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 1g4f n HIS 70 Cb 0.28 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.23 1g4f n HIS 70 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1g4f n SER 71 N -2.70 0.00 -2.40 0.41 7.64 -1.25 -5.10 113.62 110.21 1g4f n SER 71 Ca -0.02 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.82 1g4f n SER 71 Cb 0.06 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.22 1g4f n SER 71 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1g4f n SER 72 N 0.00 -0.70 -0.77 6.43 7.64 -1.26 -4.71 113.62 120.26 1g4f n SER 72 Ca 0.00 1.11 0.04 0.00 1.01 0.00 0.00 58.87 61.03 1g4f n SER 72 Cb 0.00 -4.52 -0.01 0.00 -1.01 0.00 0.00 64.21 58.67 1g4f n SER 72 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1g4f n LEU 73 N 1.39 0.00 -4.61 -3.43 4.32 -1.26 -4.57 117.00 108.83 1g4f n LEU 73 Ca -0.35 0.29 -0.45 0.00 -0.02 0.00 0.00 56.01 55.48 1g4f n LEU 73 Cb 0.54 -0.85 -0.02 0.00 -1.62 0.00 0.00 43.42 41.47 1g4f n LEU 73 CO 0.34 -1.28 0.70 0.00 -1.22 0.00 0.00 177.39 175.92 1g4f n ALA 74 N -0.46 0.06 -2.63 -1.18 0.00 -1.26 -4.85 120.51 110.18 1g4f n ALA 74 Ca 0.00 0.40 -0.42 0.00 0.00 0.00 0.00 53.44 53.43 1g4f n ALA 74 Cb 0.12 -2.08 -0.03 0.00 0.00 0.00 0.00 19.45 17.45 1g4f n ALA 74 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1g4f s PHE 75 N -0.79 2.43 1.31 0.00 5.36 -1.26 -5.01 117.98 120.02 1g4f s PHE 75 Ca 0.62 -0.31 -0.17 0.00 -0.96 0.00 0.00 56.93 56.10 1g4f s PHE 75 Cb -0.70 -4.55 0.33 0.00 -0.34 0.00 0.00 43.02 37.76 1g4f s PHE 75 CO 0.58 -1.95 0.95 0.91 -1.46 0.00 0.00 175.22 174.25 1g4f n TRP 76 N 8.85 -2.34 -2.64 10.12 8.01 -1.26 -5.01 117.44 133.17 1g4f n TRP 76 Ca 0.06 -0.43 -0.23 0.00 -1.31 0.00 0.00 57.50 55.59 1g4f n TRP 76 Cb 0.48 -1.55 0.03 0.00 -2.01 0.00 0.00 31.31 28.27 1g4f n TRP 76 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 1g4f s LYS 77 N -4.62 2.72 -1.02 -0.99 -0.14 -1.26 -4.54 119.74 109.89 1g4f s LYS 77 Ca 0.68 -0.48 -0.10 0.00 -1.36 0.00 0.00 55.97 54.72 1g4f s LYS 77 Cb -0.21 -2.43 -0.04 0.00 -1.68 0.00 0.00 37.83 33.48 1g4f s LYS 77 CO 0.63 -0.65 0.83 2.41 -0.76 0.00 0.00 175.35 177.81 1g4f n THR 78 N -2.38 -8.10 -1.00 2.17 -1.04 -1.26 -4.90 114.28 97.78 1g4f n THR 78 Ca 0.05 -1.01 -0.34 0.00 -2.04 0.00 0.00 64.05 60.71 1g4f n THR 78 Cb 0.59 -5.78 0.10 0.00 -1.82 0.00 0.00 70.33 63.41 1g4f n THR 78 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1g4f n ASP 79 N -2.80 -1.81 -0.34 8.00 5.68 -1.26 -4.58 116.55 119.44 1g4f n ASP 79 Ca -0.08 0.43 0.26 0.00 -0.50 0.00 0.00 54.79 54.91 1g4f n ASP 79 Cb 0.59 -1.20 0.51 0.00 -1.14 0.00 0.00 41.12 39.89 1g4f n ASP 79 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1g4f h ALA 80 N -1.05 2.05 0.00 2.12 0.00 -1.86 1.28 119.26 121.80 1g4f h ALA 80 Ca -0.44 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1g4f h ALA 80 Cb 1.31 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1g4f h ALA 80 CO 0.37 -0.70 0.20 1.03 0.00 0.00 0.00 179.25 180.15 1g4f h SER 81 N 0.24 0.00 -0.04 0.00 0.87 -1.86 -0.37 113.55 112.40 1g4f h SER 81 Ca 0.76 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 61.28 1g4f h SER 81 Cb 1.85 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.74 1g4f h SER 81 CO -0.63 0.00 -0.58 0.47 -0.53 0.00 0.00 176.83 175.56 1g4f n ASP 82 N -2.38 1.76 -4.49 6.23 8.00 0.44 -5.04 116.55 121.08 1g4f n ASP 82 Ca -0.01 -3.66 -0.27 0.00 0.71 0.00 0.00 54.79 51.56 1g4f n ASP 82 Cb 0.23 -0.49 -0.11 0.00 -0.02 0.00 0.00 41.12 40.73 1g4f n ASP 82 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1g4f s VAL 83 N -2.91 2.72 0.21 2.53 1.01 -0.15 -4.82 120.40 118.99 1g4f s VAL 83 Ca 0.38 -1.86 -0.23 0.00 0.00 0.00 0.00 61.98 60.27 1g4f s VAL 83 Cb 0.37 -2.32 -0.08 0.00 0.00 0.00 0.00 36.38 34.35 1g4f s VAL 83 CO -0.08 -0.11 0.77 -0.54 0.00 0.00 0.00 175.10 175.14 1g4f s LYS 84 N -2.72 4.42 0.33 2.72 1.02 -1.26 -4.77 119.74 119.48 1g4f s LYS 84 Ca 0.22 1.04 -0.29 0.00 0.02 0.00 0.00 55.97 56.97 1g4f s LYS 84 Cb -0.08 -3.03 -0.11 0.00 -0.52 0.00 0.00 37.83 34.09 1g4f s LYS 84 CO 0.12 0.46 1.47 -1.25 -0.92 0.00 0.00 175.35 175.23 1g4f s PRO 85 N -1.63 4.17 0.00 -1.68 0.05 -1.26 -2.10 135.00 132.56 1g4f s PRO 85 Ca 0.41 2.48 0.00 0.00 0.05 0.00 0.00 61.00 63.93 1g4f s PRO 85 Cb -0.20 -3.02 0.00 0.00 0.05 0.00 0.00 34.50 31.34 1g4f s PRO 85 CO 0.23 -0.48 0.20 0.00 0.05 0.00 0.00 177.00 177.00