#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m8f s HIS 5 N 0.00 1.50 0.02 -0.67 3.76 -1.26 -5.11 115.29 113.52 3m8f s HIS 5 Ca 0.00 -2.49 -0.01 0.00 -0.15 0.00 0.00 55.06 52.41 3m8f s HIS 5 Cb 0.00 -1.21 -0.04 0.00 1.11 0.00 0.00 32.58 32.44 3m8f s HIS 5 CO 0.00 -0.78 0.16 -0.06 -0.85 0.00 0.00 174.74 173.21 3m8f s PHE 6 N -0.18 3.46 -0.07 1.40 0.40 -1.26 -5.11 117.98 116.62 3m8f s PHE 6 Ca 0.31 0.28 -0.15 0.00 -0.60 0.00 0.00 56.93 56.77 3m8f s PHE 6 Cb 0.02 -1.78 0.03 0.00 0.51 0.00 0.00 43.02 41.81 3m8f s PHE 6 CO -0.19 0.61 0.36 -0.47 0.70 0.00 0.00 175.22 176.22 3m8f s TYR 7 N -1.35 -0.30 -0.30 0.36 6.14 -1.26 -5.14 117.35 115.49 3m8f s TYR 7 Ca 0.28 0.62 -0.06 0.00 0.64 0.00 0.00 57.07 58.56 3m8f s TYR 7 Cb -0.13 0.13 0.02 0.00 0.42 0.00 0.00 41.96 42.41 3m8f s TYR 7 CO 0.20 -0.33 0.07 0.95 0.64 0.00 0.00 175.55 177.09 3m8f s THR 8 N -0.69 3.80 0.32 4.34 -4.23 -1.26 -5.08 115.64 112.84 3m8f s THR 8 Ca -0.08 -0.85 -0.16 0.00 -1.18 0.00 0.00 61.69 59.42 3m8f s THR 8 Cb -0.04 -3.01 -0.09 0.00 1.34 0.00 0.00 72.50 70.70 3m8f s THR 8 CO 0.03 0.02 0.75 -0.76 -0.54 0.00 0.00 174.62 174.12 3m8f s LEU 9 N 1.45 4.07 -0.26 4.79 1.02 -1.26 -5.04 118.68 123.46 3m8f s LEU 9 Ca 0.01 1.32 -0.24 0.00 0.02 0.00 0.00 54.13 55.24 3m8f s LEU 9 Cb -0.18 -4.08 -0.01 0.00 0.02 0.00 0.00 46.19 41.95 3m8f s LEU 9 CO 0.02 -0.20 0.79 0.21 0.02 0.00 0.00 176.35 177.19 3m8f s ASN 10 N -2.23 6.76 0.14 2.29 3.84 -1.26 -4.95 114.94 119.54 3m8f s ASN 10 Ca 0.54 0.91 -0.01 0.00 0.21 0.00 0.00 52.86 54.51 3m8f s ASN 10 Cb -0.11 -2.42 -0.07 0.00 -0.55 0.00 0.00 41.25 38.11 3m8f s ASN 10 CO 0.17 -0.52 1.32 0.40 -2.79 0.00 0.00 177.10 175.69 3m8f h ILE 11 N 5.46 1.47 -0.39 -5.21 1.08 -1.99 -3.06 117.51 114.87 3m8f h ILE 11 Ca -0.24 -2.62 0.07 0.00 -0.39 0.00 0.00 64.86 61.68 3m8f h ILE 11 Cb 1.10 2.51 -0.07 0.00 -3.07 0.00 0.00 36.82 37.29 3m8f h ILE 11 CO 0.86 0.77 -0.03 0.00 -0.69 0.00 0.00 178.15 179.06 3m8f h ALA 12 N 0.85 0.33 -0.55 1.87 0.00 -1.98 0.12 119.26 119.89 3m8f h ALA 12 Ca -0.07 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3m8f h ALA 12 Cb 1.59 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.58 3m8f h ALA 12 CO 0.15 -0.42 0.09 1.49 0.00 0.00 0.00 179.25 180.57 3m8f h GLU 13 N 0.07 0.88 -0.15 0.00 4.81 -1.98 -2.21 114.58 116.00 3m8f h GLU 13 Ca 0.19 -0.20 -0.22 0.00 -0.13 0.00 0.00 59.36 59.00 3m8f h GLU 13 Cb 0.28 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 29.55 3m8f h GLU 13 CO -0.35 0.82 -0.75 0.82 -0.73 0.00 0.00 179.01 178.81 3m8f h ILE 14 N 0.83 1.28 0.35 2.32 2.04 -1.35 -3.05 117.51 119.94 3m8f h ILE 14 Ca 0.17 -1.96 -0.00 0.00 1.00 0.00 0.00 64.86 64.07 3m8f h ILE 14 Cb 0.36 2.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.43 3m8f h ILE 14 CO 0.01 0.62 -0.38 0.00 0.00 0.00 0.00 178.15 178.39 3m8f h ALA 15 N 0.54 -0.82 -0.83 1.87 0.00 -0.63 -0.24 119.26 119.15 3m8f h ALA 15 Ca -0.05 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.81 3m8f h ALA 15 Cb 1.39 0.56 -0.06 0.00 0.00 0.00 0.00 17.79 19.68 3m8f h ALA 15 CO 0.16 -1.00 0.54 1.05 0.00 0.00 0.00 179.25 180.00 3m8f h GLU 16 N -0.77 0.82 -0.40 0.00 4.11 -1.48 0.87 114.58 117.73 3m8f h GLU 16 Ca -0.02 -0.05 -0.03 0.00 0.07 0.00 0.00 59.36 59.32 3m8f h GLU 16 Cb 0.70 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 3m8f h GLU 16 CO -0.08 0.54 0.11 0.00 0.07 0.00 0.00 179.01 179.66 3m8f h ARG 17 N 0.85 0.63 -0.25 1.06 3.08 -1.40 -1.98 114.38 116.37 3m8f h ARG 17 Ca 0.38 -0.14 -0.08 0.00 0.07 0.00 0.00 59.98 60.20 3m8f h ARG 17 Cb 0.35 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 3m8f h ARG 17 CO -0.15 0.64 -0.15 0.82 -1.07 0.00 0.00 179.97 180.06 3m8f h ILE 18 N 0.51 1.31 -0.87 2.04 2.04 0.77 -2.95 117.51 120.34 3m8f h ILE 18 Ca 0.13 -1.26 0.25 0.00 1.00 0.00 0.00 64.86 64.97 3m8f h ILE 18 Cb 0.28 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 3m8f h ILE 18 CO -0.00 0.39 0.62 1.23 0.00 0.00 0.00 178.15 180.40 3m8f h GLY 19 N 0.27 0.11 -2.12 5.37 0.00 0.87 0.23 103.07 107.80 3m8f h GLY 19 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3m8f h GLY 19 CO 0.04 -0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.28 3m8f n ASN 20 N -4.31 3.12 -3.84 0.19 3.02 -0.76 -4.66 115.26 108.02 3m8f n ASN 20 Ca 0.18 -2.39 -0.29 0.00 -0.03 0.00 0.00 54.58 52.05 3m8f n ASN 20 Cb 0.91 -0.54 -0.16 0.00 -0.61 0.00 0.00 39.78 39.38 3m8f n ASN 20 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3m8f s ASP 21 N -0.46 3.46 0.14 6.41 -1.08 0.81 -5.04 116.67 120.91 3m8f s ASP 21 Ca 0.26 -1.05 -0.18 0.00 -0.52 0.00 0.00 52.55 51.05 3m8f s ASP 21 Cb 0.19 -0.91 0.03 0.00 -1.46 0.00 0.00 42.92 40.77 3m8f s ASP 21 CO 0.09 -0.28 1.70 -0.78 0.52 0.00 0.00 175.17 176.42 3m8f h ASP 22 N 8.08 -0.18 -0.24 -0.34 3.58 -1.83 -2.29 116.42 123.21 3m8f h ASP 22 Ca -0.17 0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.35 3m8f h ASP 22 Cb 1.09 0.14 -0.01 0.00 1.72 0.00 0.00 39.33 42.27 3m8f h ASP 22 CO 0.38 -0.06 0.14 0.00 -2.88 0.00 0.00 179.24 176.82 3m8f h ALA 24 N 1.03 -0.78 -0.66 0.00 0.00 -1.80 -1.66 119.26 115.39 3m8f h ALA 24 Ca 0.08 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 54.98 3m8f h ALA 24 Cb 0.04 0.43 -0.13 0.00 0.00 0.00 0.00 17.79 18.13 3m8f h ALA 24 CO -0.02 -0.96 -0.24 -0.92 0.00 0.00 0.00 179.25 177.12 3m8f h TYR 25 N -0.77 -0.59 -0.46 0.00 3.20 -1.45 0.20 116.97 117.10 3m8f h TYR 25 Ca -0.05 0.07 -0.07 0.00 3.14 0.00 0.00 58.73 61.82 3m8f h TYR 25 Cb 0.65 0.36 -0.02 0.00 1.54 0.00 0.00 36.73 39.26 3m8f h TYR 25 CO -0.13 -0.33 0.00 1.96 -1.64 0.00 0.00 178.16 178.02 3m8f h GLN 26 N -0.06 0.81 -0.26 1.82 4.20 -1.37 0.92 115.11 121.17 3m8f h GLN 26 Ca 0.30 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3m8f h GLN 26 Cb 0.53 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 3m8f h GLN 26 CO -0.71 0.86 0.16 0.28 -0.67 0.00 0.00 178.83 178.75 3m8f h VAL 27 N 0.66 1.08 0.41 -0.54 2.07 -0.65 0.37 116.25 119.66 3m8f h VAL 27 Ca 0.13 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 3m8f h VAL 27 Cb 0.50 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3m8f h VAL 27 CO 0.02 0.08 -0.38 0.25 0.02 0.00 0.00 177.57 177.56 3m8f h LEU 28 N 0.33 -1.02 -2.47 2.57 5.85 -0.42 -3.11 115.31 117.05 3m8f h LEU 28 Ca 0.09 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.90 3m8f h LEU 28 Cb -0.01 0.33 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 3m8f h LEU 28 CO -0.02 -0.51 0.04 0.24 -0.34 0.00 0.00 178.44 177.85 3m8f h MET 29 N -0.78 0.00 -0.02 1.25 2.86 -0.54 -1.96 114.93 115.75 3m8f h MET 29 Ca -0.05 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.59 3m8f h MET 29 Cb 0.67 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.33 3m8f h MET 29 CO -0.03 0.00 0.29 0.00 1.06 0.00 0.00 176.91 178.24 3m8f h ALA 30 N 1.95 1.33 -0.05 6.32 0.00 -0.85 -1.04 119.26 126.92 3m8f h ALA 30 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3m8f h ALA 30 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3m8f h ALA 30 CO -0.00 -0.30 0.00 1.19 0.00 0.00 0.00 179.25 180.14 3m8f n PHE 31 N -2.97 0.06 -4.06 0.00 3.72 -0.74 -4.72 117.46 108.75 3m8f n PHE 31 Ca -0.02 -0.03 -0.35 0.00 -0.05 0.00 0.00 57.45 57.01 3m8f n PHE 31 Cb 0.35 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.78 3m8f n PHE 31 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3m8f s ILE 32 N -1.94 4.36 0.54 4.37 -1.09 -0.40 0.33 121.20 127.37 3m8f s ILE 32 Ca 0.37 -0.18 -0.07 0.00 -2.23 0.00 0.00 60.65 58.55 3m8f s ILE 32 Cb 0.20 -2.97 0.12 0.00 -1.58 0.00 0.00 42.46 38.23 3m8f s ILE 32 CO 0.31 0.44 0.73 -0.46 -1.23 0.00 0.00 174.94 174.74 3m8f n ASN 33 N 3.92 0.30 -0.22 3.58 6.94 0.78 -4.89 115.26 125.67 3m8f n ASN 33 Ca -0.17 -1.42 -0.02 0.00 -0.02 0.00 0.00 54.58 52.96 3m8f n ASN 33 Cb 0.52 -0.54 0.10 0.00 -2.36 0.00 0.00 39.78 37.50 3m8f n ASN 33 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 3m8f h GLU 34 N 0.00 0.61 0.00 -3.83 4.81 -1.99 -1.40 114.58 112.78 3m8f h GLU 34 Ca -0.24 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 3m8f h GLU 34 Cb 0.72 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.96 3m8f h GLU 34 CO 0.19 0.40 0.00 0.09 -0.73 0.00 0.00 179.01 178.96 3m8f n ASN 35 N -4.83 0.00 0.00 1.04 3.02 -1.26 -4.87 115.26 108.36 3m8f n ASN 35 Ca 0.08 -1.49 0.00 0.00 -0.03 0.00 0.00 54.58 53.14 3m8f n ASN 35 Cb 0.19 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 3m8f n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3m8f n GLY 36 N 0.44 2.88 3.78 7.41 0.00 -0.53 -5.01 105.19 114.17 3m8f n GLY 36 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 3m8f n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m8f s GLU 37 N -0.01 3.96 0.20 1.61 2.02 -1.26 -4.66 118.70 120.56 3m8f s GLU 37 Ca 0.00 1.53 -0.30 0.00 0.02 0.00 0.00 54.97 56.22 3m8f s GLU 37 Cb 0.00 -2.38 -0.08 0.00 0.10 0.00 0.00 34.13 31.77 3m8f s GLU 37 CO 0.00 -0.32 1.04 0.00 0.02 0.00 0.00 175.26 175.99 3m8f s ALA 38 N -1.73 3.35 0.00 5.21 0.00 -1.26 -0.15 121.76 127.18 3m8f s ALA 38 Ca 0.62 0.74 0.00 0.00 0.00 0.00 0.00 51.96 53.32 3m8f s ALA 38 Cb -0.22 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.60 3m8f s ALA 38 CO 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 175.76 175.96 3m8f n GLN 39 N 2.00 1.23 -4.23 0.00 10.64 0.15 -4.90 117.38 122.28 3m8f n GLN 39 Ca 0.01 0.00 -0.18 0.00 -1.83 0.00 0.00 57.00 55.00 3m8f n GLN 39 Cb 0.47 0.00 -0.13 0.00 -0.86 0.00 0.00 30.24 29.72 3m8f n GLN 39 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3m8f s MET 40 N -1.83 0.75 0.09 2.61 0.23 -1.26 -4.47 119.30 115.43 3m8f s MET 40 Ca 0.00 -0.72 -0.12 0.00 -1.03 0.00 0.00 55.69 53.82 3m8f s MET 40 Cb 0.00 -0.70 0.02 0.00 -1.53 0.00 0.00 34.83 32.61 3m8f s MET 40 CO 0.00 0.17 0.28 -0.51 -2.03 0.00 0.00 175.02 172.93 3m8f s LEU 41 N -1.22 0.97 0.63 0.18 1.43 -0.61 -4.97 118.68 115.09 3m8f s LEU 41 Ca -0.02 -0.44 0.04 0.00 -1.03 0.00 0.00 54.13 52.68 3m8f s LEU 41 Cb -0.08 1.37 0.10 0.00 0.03 0.00 0.00 46.19 47.61 3m8f s LEU 41 CO 0.01 -0.75 0.87 0.54 0.23 0.00 0.00 176.35 177.26 3m8f s ASN 42 N -2.67 4.79 0.24 2.29 2.20 -1.26 0.49 114.94 121.02 3m8f s ASN 42 Ca 0.02 -0.50 -0.06 0.00 -0.94 0.00 0.00 52.86 51.39 3m8f s ASN 42 Cb 0.03 -0.04 0.43 0.00 -2.00 0.00 0.00 41.25 39.66 3m8f s ASN 42 CO -0.10 -1.53 1.70 0.11 -2.94 0.00 0.00 177.10 174.34 3m8f h LYS 43 N -0.14 0.29 -0.11 3.55 1.57 -1.99 -2.74 116.57 117.01 3m8f h LYS 43 Ca -0.35 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.41 3m8f h LYS 43 Cb 1.28 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 3m8f h LYS 43 CO 0.42 0.19 0.06 1.15 -0.57 0.00 0.00 179.45 180.70 3m8f h THR 44 N 0.30 1.11 -0.96 -0.16 2.02 -1.96 -1.76 112.91 111.50 3m8f h THR 44 Ca 0.40 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 67.27 3m8f h THR 44 Cb 0.64 1.11 -0.05 0.00 -1.74 0.00 0.00 68.15 68.12 3m8f h THR 44 CO -0.47 0.09 0.59 0.00 0.37 0.00 0.00 175.52 176.11 3m8f h ALA 45 N 0.94 1.22 0.48 6.16 0.00 -1.91 -0.69 119.26 125.46 3m8f h ALA 45 Ca 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3m8f h ALA 45 Cb 0.10 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 3m8f h ALA 45 CO -0.01 0.66 -0.27 0.28 0.00 0.00 0.00 179.25 179.92 3m8f h VAL 46 N 1.32 0.45 -1.04 0.00 2.07 -1.31 -2.34 116.25 115.40 3m8f h VAL 46 Ca 0.35 0.00 0.29 0.00 0.82 0.00 0.00 66.70 68.16 3m8f h VAL 46 Cb -0.08 0.45 -0.13 0.00 -1.52 0.00 0.00 31.29 30.02 3m8f h VAL 46 CO -0.07 0.00 0.63 0.00 0.02 0.00 0.00 177.57 178.15 3m8f h ALA 47 N -0.20 2.04 -0.20 1.67 0.00 -0.83 -0.21 119.26 121.53 3m8f h ALA 47 Ca -0.06 0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 3m8f h ALA 47 Cb 0.56 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3m8f h ALA 47 CO 0.08 -0.55 -0.58 0.93 0.00 0.00 0.00 179.25 179.13 3m8f h GLU 48 N 0.41 0.64 -0.02 0.00 5.08 -0.82 -3.24 114.58 116.63 3m8f h GLU 48 Ca 0.68 -0.42 -0.22 0.00 -1.00 0.00 0.00 59.36 58.40 3m8f h GLU 48 Cb 1.56 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.87 3m8f h GLU 48 CO -0.47 1.04 -0.91 0.52 -1.00 0.00 0.00 179.01 178.19 3m8f h MET 49 N 0.48 0.43 -6.37 2.33 2.86 -0.53 -3.43 114.93 110.71 3m8f h MET 49 Ca 0.00 -0.44 -0.55 0.00 -2.06 0.00 0.00 59.70 56.65 3m8f h MET 49 Cb 1.15 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.90 3m8f h MET 49 CO 0.11 1.10 0.46 0.42 1.06 0.00 0.00 176.91 180.06 3m8f s ILE 50 N -3.34 4.74 -0.56 -1.22 1.09 -0.78 -4.95 121.20 116.18 3m8f s ILE 50 Ca -0.06 1.98 -0.07 0.00 -1.10 0.00 0.00 60.65 61.40 3m8f s ILE 50 Cb 0.09 -4.27 -0.15 0.00 -1.06 0.00 0.00 42.46 37.07 3m8f s ILE 50 CO 0.87 0.10 3.25 1.67 -0.10 0.00 0.00 174.94 180.73 3m8f n GLN 51 N 4.29 2.66 -3.98 2.79 7.27 -1.26 -4.85 117.38 124.29 3m8f n GLN 51 Ca 0.07 -1.68 -0.09 0.00 0.07 0.00 0.00 57.00 55.37 3m8f n GLN 51 Cb 0.50 -2.26 -0.11 0.00 2.41 0.00 0.00 30.24 30.78 3m8f n GLN 51 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3m8f s LEU 52 N -0.45 2.23 -0.24 1.69 1.43 -1.26 -5.10 118.68 116.98 3m8f s LEU 52 Ca 0.66 -0.49 -0.22 0.00 -1.03 0.00 0.00 54.13 53.05 3m8f s LEU 52 Cb 0.29 0.07 -0.09 0.00 0.03 0.00 0.00 46.19 46.49 3m8f s LEU 52 CO -0.06 -0.28 0.88 -0.24 0.23 0.00 0.00 176.35 176.88 3m8f n SER 53 N 1.64 0.48 -0.22 2.29 2.88 -1.26 -4.65 113.62 114.77 3m8f n SER 53 Ca -0.24 0.46 0.01 0.00 -1.33 0.00 0.00 58.87 57.77 3m8f n SER 53 Cb 0.55 -0.42 0.08 0.00 -0.75 0.00 0.00 64.21 63.67 3m8f n SER 53 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3m8f h LYS 54 N 3.24 0.03 -0.76 -1.46 1.63 -1.94 0.18 116.57 117.49 3m8f h LYS 54 Ca -0.14 -0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.73 3m8f h LYS 54 Cb 0.66 -0.01 -0.09 0.00 -0.60 0.00 0.00 32.23 32.19 3m8f h LYS 54 CO 0.49 0.02 -0.47 -1.35 -3.45 0.00 0.00 179.45 174.69 3m8f h PRO 55 N 0.03 -0.02 -0.67 1.90 0.11 -2.00 -0.84 132.00 130.51 3m8f h PRO 55 Ca 0.33 0.00 0.14 0.00 0.11 0.00 0.00 66.00 66.58 3m8f h PRO 55 Cb 0.52 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 31.51 3m8f h PRO 55 CO -0.64 -0.01 -0.05 1.15 -0.21 0.00 0.00 178.00 178.24 3m8f h THR 56 N -0.02 0.40 -0.44 -1.15 2.02 -1.06 -0.20 112.91 112.46 3m8f h THR 56 Ca 0.12 -0.03 -0.07 0.00 0.77 0.00 0.00 66.41 67.21 3m8f h THR 56 Cb 0.34 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 3m8f h THR 56 CO -0.73 0.01 0.00 0.58 0.37 0.00 0.00 175.52 175.76 3m8f h VAL 57 N 0.07 1.23 -0.39 3.16 2.07 -0.70 -2.95 116.25 118.75 3m8f h VAL 57 Ca 0.35 -0.94 -0.07 0.00 0.82 0.00 0.00 66.70 66.86 3m8f h VAL 57 Cb 0.57 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3m8f h VAL 57 CO -0.61 0.33 -0.03 -0.26 0.02 0.00 0.00 177.57 177.01 3m8f h PHE 58 N 0.67 0.77 -0.89 1.57 0.04 0.40 -0.83 116.94 118.67 3m8f h PHE 58 Ca 0.14 -0.15 0.08 0.00 2.80 0.00 0.00 57.97 60.84 3m8f h PHE 58 Cb 0.41 -0.20 -0.06 0.00 2.20 0.00 0.00 35.95 38.30 3m8f h PHE 58 CO 0.02 0.81 0.58 0.00 -0.60 0.00 0.00 178.31 179.12 3m8f h ALA 59 N 0.86 1.58 0.00 2.45 0.00 -1.21 0.24 119.26 123.18 3m8f h ALA 59 Ca 0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3m8f h ALA 59 Cb 0.52 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3m8f h ALA 59 CO 0.03 0.27 -0.00 1.15 0.00 0.00 0.00 179.25 180.69 3m8f h THR 60 N 0.95 1.53 -0.90 0.00 2.02 -1.35 0.00 112.91 115.16 3m8f h THR 60 Ca 0.40 -1.58 0.10 0.00 0.77 0.00 0.00 66.41 66.10 3m8f h THR 60 Cb 0.30 2.60 -0.07 0.00 -1.74 0.00 0.00 68.15 69.24 3m8f h THR 60 CO -0.16 0.41 0.58 1.62 0.37 0.00 0.00 175.52 178.34 3m8f h VAL 61 N -0.68 0.95 0.56 3.16 3.04 -0.98 0.32 116.25 122.61 3m8f h VAL 61 Ca -0.00 -0.30 -0.02 0.00 -1.01 0.00 0.00 66.70 65.36 3m8f h VAL 61 Cb 0.67 -0.00 -0.00 0.00 -2.01 0.00 0.00 31.29 29.95 3m8f h VAL 61 CO 0.00 0.16 -0.37 0.78 -1.01 0.00 0.00 177.57 177.13 3m8f h ASN 62 N 0.88 -0.95 0.48 3.17 2.35 -0.78 -2.76 115.58 117.97 3m8f h ASN 62 Ca 0.42 0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 56.17 3m8f h ASN 62 Cb 0.44 0.28 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 3m8f h ASN 62 CO -0.19 -0.55 -0.26 4.11 -1.65 0.00 0.00 177.43 178.89 3m8f h TRP 63 N -0.88 0.00 -0.55 1.19 5.08 -0.39 0.90 115.95 121.30 3m8f h TRP 63 Ca -0.07 0.00 0.06 0.00 1.08 0.00 0.00 58.89 59.96 3m8f h TRP 63 Cb 0.71 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.84 3m8f h TRP 63 CO -0.08 0.26 0.37 0.74 -1.28 0.00 0.00 178.44 178.45 3m8f h PHE 64 N 0.00 0.51 -0.00 0.12 -1.00 -0.41 0.24 116.94 116.39 3m8f h PHE 64 Ca -0.00 0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.79 3m8f h PHE 64 Cb 0.57 -0.17 0.00 0.00 3.61 0.00 0.00 35.95 39.96 3m8f h PHE 64 CO 0.00 0.27 -0.01 -0.92 -1.61 0.00 0.00 178.31 176.04 3m8f h TYR 65 N 0.50 0.02 -0.73 -0.55 3.20 -0.53 -0.61 116.97 118.27 3m8f h TYR 65 Ca 0.24 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.22 3m8f h TYR 65 Cb 0.29 -0.00 -0.09 0.00 1.54 0.00 0.00 36.73 38.47 3m8f h TYR 65 CO -0.00 0.62 0.30 0.00 -1.64 0.00 0.00 178.16 177.45 3m8f h ALA 67 N 1.51 1.63 0.00 0.00 0.00 -0.57 -3.47 119.26 118.37 3m8f h ALA 67 Ca 0.39 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3m8f h ALA 67 Cb 0.54 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3m8f h ALA 67 CO -0.36 0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.57 3m8f n GLY 68 N -1.09 1.04 0.12 0.00 0.00 -0.81 -5.00 105.19 99.45 3m8f n GLY 68 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 3m8f n GLY 68 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3m8f h TYR 69 N 0.00 0.00 -3.83 1.61 0.05 -1.33 -3.40 116.97 110.07 3m8f h TYR 69 Ca 0.00 0.00 -0.42 0.00 0.05 0.00 0.00 58.73 58.36 3m8f h TYR 69 Cb 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 36.73 37.54 3m8f h TYR 69 CO 0.00 0.72 -0.77 0.96 -1.05 0.00 0.00 178.16 178.01 3m8f s ILE 70 N -3.25 1.22 0.39 -2.88 -4.36 -1.18 -0.57 121.20 110.57 3m8f s ILE 70 Ca 0.00 -1.46 0.08 0.00 -0.26 0.00 0.00 60.65 59.00 3m8f s ILE 70 Cb 0.11 -1.26 -0.04 0.00 1.25 0.00 0.00 42.46 42.52 3m8f s ILE 70 CO 0.77 -0.28 0.26 -1.81 0.24 0.00 0.00 174.94 174.12 3m8f s ASP 71 N -2.00 4.79 -0.09 4.36 1.01 0.13 -4.60 116.67 120.26 3m8f s ASP 71 Ca 0.02 -0.84 0.02 0.00 0.71 0.00 0.00 52.55 52.46 3m8f s ASP 71 Cb -0.08 -0.61 0.01 0.00 1.01 0.00 0.00 42.92 43.26 3m8f s ASP 71 CO 0.03 -0.52 -0.15 -0.70 0.21 0.00 0.00 175.17 174.04 3m8f s GLU 72 N -3.99 2.10 -0.13 8.23 2.12 -1.26 -2.08 118.70 123.69 3m8f s GLU 72 Ca 0.43 -0.53 0.03 0.00 0.36 0.00 0.00 54.97 55.26 3m8f s GLU 72 Cb -0.01 -1.75 0.01 0.00 0.26 0.00 0.00 34.13 32.63 3m8f s GLU 72 CO 0.25 -0.02 -0.22 0.99 -0.54 0.00 0.00 175.26 175.72 3m8f s THR 73 N 0.85 1.99 0.36 -1.70 2.01 0.27 -4.93 115.64 114.51 3m8f s THR 73 Ca -0.10 -0.95 -0.28 0.00 0.31 0.00 0.00 61.69 60.67 3m8f s THR 73 Cb -0.15 -1.76 -0.11 0.00 0.01 0.00 0.00 72.50 70.49 3m8f s THR 73 CO 0.01 0.54 1.49 -0.60 -0.69 0.00 0.00 174.62 175.37 3m8f s ARG 74 N 0.73 4.12 -0.28 4.92 6.06 -1.26 -0.42 118.95 132.82 3m8f s ARG 74 Ca -0.10 2.56 -0.05 0.00 -2.50 0.00 0.00 55.73 55.64 3m8f s ARG 74 Cb -0.16 -2.98 0.15 0.00 0.06 0.00 0.00 34.95 32.02 3m8f s ARG 74 CO 0.00 -0.53 0.56 0.08 -2.50 0.00 0.00 175.30 172.92 3m8f s VAL 75 N -0.97 -0.90 0.00 7.11 1.01 -0.46 -4.90 120.40 121.29 3m8f s VAL 75 Ca 0.54 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.54 3m8f s VAL 75 Cb -0.46 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 34.99 3m8f s VAL 75 CO 0.61 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.31 3m8f n GLY 76 N 5.42 0.54 2.53 4.51 0.00 -1.26 -0.73 105.19 116.20 3m8f n GLY 76 Ca -0.06 0.66 -0.12 0.00 0.00 0.00 0.00 46.02 46.50 3m8f n GLY 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3m8f n ARG 77 N 0.00 1.05 -3.21 1.61 0.63 -1.26 -5.09 116.66 110.39 3m8f n ARG 77 Ca 0.00 -2.61 0.04 0.00 -0.92 0.00 0.00 57.85 54.36 3m8f n ARG 77 Cb 0.00 -1.15 -0.01 0.00 0.45 0.00 0.00 32.46 31.74 3m8f n ARG 77 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 3m8f s SER 78 N -1.92 -1.19 -0.17 6.15 1.04 0.10 -5.12 113.70 112.58 3m8f s SER 78 Ca 0.29 0.85 -0.29 0.00 0.48 0.00 0.00 55.95 57.28 3m8f s SER 78 Cb 0.35 2.04 -0.03 0.00 0.10 0.00 0.00 66.02 68.48 3m8f s SER 78 CO -0.05 -0.22 1.53 -0.54 0.98 0.00 0.00 173.24 174.93 3m8f s LYS 79 N 2.87 4.00 0.02 4.02 1.02 -1.26 -1.35 119.74 129.05 3m8f s LYS 79 Ca 0.14 1.77 0.05 0.00 0.02 0.00 0.00 55.97 57.96 3m8f s LYS 79 Cb -0.14 -3.95 -0.03 0.00 -0.52 0.00 0.00 37.83 33.19 3m8f s LYS 79 CO -0.19 -1.04 -0.13 0.42 -0.92 0.00 0.00 175.35 173.50 3m8f s ILE 80 N 4.47 3.20 0.03 2.17 -1.09 0.44 -4.54 121.20 125.88 3m8f s ILE 80 Ca 0.67 -0.96 0.04 0.00 -2.23 0.00 0.00 60.65 58.18 3m8f s ILE 80 Cb -0.26 -2.36 -0.04 0.00 -1.58 0.00 0.00 42.46 38.23 3m8f s ILE 80 CO 0.26 0.39 -0.07 -0.31 -1.23 0.00 0.00 174.94 173.97 3m8f s TYR 81 N -0.94 2.85 0.02 3.97 2.02 0.18 0.97 117.35 126.43 3m8f s TYR 81 Ca 0.15 -0.07 -0.06 0.00 -0.37 0.00 0.00 57.07 56.73 3m8f s TYR 81 Cb -0.11 -1.56 -0.01 0.00 -0.40 0.00 0.00 41.96 39.88 3m8f s TYR 81 CO 0.06 0.38 0.10 0.95 -1.57 0.00 0.00 175.55 175.47 3m8f s THR 82 N -1.06 0.11 0.30 -0.71 -4.23 -0.88 -1.57 115.64 107.60 3m8f s THR 82 Ca 0.18 -0.89 -0.30 0.00 -1.18 0.00 0.00 61.69 59.50 3m8f s THR 82 Cb -0.11 -0.61 -0.11 0.00 1.34 0.00 0.00 72.50 73.00 3m8f s THR 82 CO 0.09 -0.49 1.61 -0.76 -0.54 0.00 0.00 174.62 174.53 3m8f s LEU 83 N -1.72 4.34 1.04 4.79 1.43 -1.26 0.17 118.68 127.47 3m8f s LEU 83 Ca -0.11 2.98 -0.14 0.00 -1.03 0.00 0.00 54.13 55.83 3m8f s LEU 83 Cb -0.05 -3.64 0.21 0.00 0.03 0.00 0.00 46.19 42.74 3m8f s LEU 83 CO -0.01 -0.93 1.11 -0.94 0.23 0.00 0.00 176.35 175.81 3m8f s SER 84 N 0.49 2.31 0.22 2.29 1.04 0.26 -4.59 113.70 115.73 3m8f s SER 84 Ca 0.63 0.95 -0.08 0.00 0.48 0.00 0.00 55.95 57.93 3m8f s SER 84 Cb -0.48 -1.47 0.26 0.00 0.10 0.00 0.00 66.02 64.43 3m8f s SER 84 CO 0.49 -3.30 1.83 0.44 0.98 0.00 0.00 173.24 173.68 3m8f h ASP 85 N -2.01 0.66 -0.63 7.02 3.45 -1.87 -1.86 116.42 121.18 3m8f h ASP 85 Ca -0.51 0.02 0.12 0.00 0.43 0.00 0.00 57.03 57.09 3m8f h ASP 85 Cb 1.32 -0.11 -0.09 0.00 -0.56 0.00 0.00 39.33 39.89 3m8f h ASP 85 CO 0.52 0.43 0.15 0.25 -1.57 0.00 0.00 179.24 179.02 3m8f h LEU 86 N 0.79 0.04 -0.65 1.55 5.85 -1.87 0.40 115.31 121.41 3m8f h LEU 86 Ca 0.32 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 59.13 3m8f h LEU 86 Cb 0.16 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 3m8f h LEU 86 CO -0.17 0.02 0.34 1.23 -0.34 0.00 0.00 178.44 179.52 3m8f h GLY 87 N 0.28 0.99 1.24 3.75 0.00 -1.33 -0.36 103.07 107.63 3m8f h GLY 87 Ca 0.33 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 3m8f h GLY 87 CO -0.41 0.45 0.24 -2.08 0.00 0.00 0.00 176.54 174.74 3m8f h VAL 88 N 0.89 1.23 -0.10 4.60 2.07 -1.09 -1.62 116.25 122.24 3m8f h VAL 88 Ca 0.23 -0.76 0.04 0.00 0.82 0.00 0.00 66.70 67.03 3m8f h VAL 88 Cb 0.08 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 30.26 3m8f h VAL 88 CO -0.03 0.30 -0.26 -0.33 0.02 0.00 0.00 177.57 177.27 3m8f h GLU 89 N 0.95 -0.33 -0.88 1.57 4.39 0.32 0.62 114.58 121.21 3m8f h GLU 89 Ca 0.22 0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.97 3m8f h GLU 89 Cb 0.21 0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.89 3m8f h GLU 89 CO -0.02 -0.22 0.57 0.82 -1.16 0.00 0.00 179.01 179.01 3m8f h ILE 90 N -0.34 1.16 0.48 3.13 2.04 -0.48 -1.82 117.51 121.67 3m8f h ILE 90 Ca 0.09 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 3m8f h ILE 90 Cb 0.48 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 3m8f h ILE 90 CO -0.29 0.20 -0.23 0.58 0.00 0.00 0.00 178.15 178.41 3m8f h VAL 91 N 1.12 0.43 0.00 1.67 2.07 -1.16 -2.58 116.25 117.80 3m8f h VAL 91 Ca 0.35 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3m8f h VAL 91 Cb -0.01 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 3m8f h VAL 91 CO -0.11 0.06 0.03 -0.62 0.02 0.00 0.00 177.57 176.95 3m8f n GLU 92 N -5.27 0.00 -0.06 1.57 -0.58 0.20 0.72 120.64 117.21 3m8f n GLU 92 Ca -0.11 0.25 -0.21 0.00 -0.42 0.00 0.00 57.16 56.67 3m8f n GLU 92 Cb 0.31 -1.53 -0.13 0.00 -0.57 0.00 0.00 31.44 29.52 3m8f n GLU 92 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3m8f h PHE 94 N -0.16 0.59 -0.77 0.00 -1.00 0.69 -2.20 116.94 114.09 3m8f h PHE 94 Ca -0.49 -0.07 0.15 0.00 2.81 0.00 0.00 57.97 60.37 3m8f h PHE 94 Cb 1.88 -0.17 -0.10 0.00 3.61 0.00 0.00 35.95 41.17 3m8f h PHE 94 CO 0.05 0.60 0.30 -0.22 -1.61 0.00 0.00 178.31 177.43 3m8f h LYS 95 N 0.41 0.42 -0.38 1.51 3.64 -0.86 -1.01 116.57 120.30 3m8f h LYS 95 Ca 0.11 -0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.31 3m8f h LYS 95 Cb 0.31 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 3m8f h LYS 95 CO 0.00 0.28 -0.36 1.96 -2.27 0.00 0.00 179.45 179.06 3m8f h GLN 96 N 0.43 0.92 -0.74 1.90 4.20 -1.53 0.24 115.11 120.53 3m8f h GLN 96 Ca 0.43 -0.48 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 3m8f h GLN 96 Cb 0.67 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.43 3m8f h GLN 96 CO -0.42 1.13 0.27 0.87 -0.67 0.00 0.00 178.83 180.01 3m8f h LYS 97 N 0.73 1.13 -0.30 1.46 1.57 -0.84 -0.29 116.57 120.03 3m8f h LYS 97 Ca 0.06 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.58 3m8f h LYS 97 Cb 0.96 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 3m8f h LYS 97 CO 0.09 0.94 0.01 0.00 -0.57 0.00 0.00 179.45 179.92 3m8f h ALA 98 N 1.13 0.40 -0.21 3.86 0.00 -1.15 -2.95 119.26 120.35 3m8f h ALA 98 Ca 0.24 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3m8f h ALA 98 Cb 0.25 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 3m8f h ALA 98 CO -0.01 0.14 -0.17 0.52 0.00 0.00 0.00 179.25 179.73 3m8f h MET 99 N 0.32 -0.16 0.00 0.00 2.86 -0.08 -1.52 114.93 116.34 3m8f h MET 99 Ca 0.09 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3m8f h MET 99 Cb 0.42 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.11 3m8f h MET 99 CO 0.01 -0.11 0.00 0.93 1.06 0.00 0.00 176.91 178.80 3m8f h GLU 100 N -0.17 0.00 -0.02 1.72 5.08 -1.13 -3.13 114.58 116.93 3m8f h GLU 100 Ca 0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3m8f h GLU 100 Cb 0.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 3m8f h GLU 100 CO -0.31 0.00 -0.03 1.98 -1.00 0.00 0.00 179.01 179.64 3m8f h MET 101 N 0.00 0.07 -0.01 2.33 4.05 -1.09 -3.51 114.93 116.77 3m8f h MET 101 Ca 0.00 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 3m8f h MET 101 Cb 0.38 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.19 3m8f h MET 101 CO 0.00 0.57 0.00 0.54 0.23 0.00 0.00 176.91 178.25