#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m8f s PHE 6 N 0.00 3.48 -0.05 1.57 0.08 -1.26 -5.12 117.98 116.69 3m8f s PHE 6 Ca 0.00 0.25 -0.02 0.00 0.12 0.00 0.00 56.93 57.29 3m8f s PHE 6 Cb 0.00 -1.78 0.03 0.00 -0.57 0.00 0.00 43.02 40.70 3m8f s PHE 6 CO 0.00 0.41 0.09 -0.47 -0.10 0.00 0.00 175.22 175.15 3m8f s TYR 7 N -1.86 -0.06 -0.22 0.36 5.04 -1.26 -5.14 117.35 114.21 3m8f s TYR 7 Ca 0.37 0.32 -0.05 0.00 -2.44 0.00 0.00 57.07 55.28 3m8f s TYR 7 Cb -0.11 -0.21 -0.02 0.00 0.35 0.00 0.00 41.96 41.97 3m8f s TYR 7 CO 0.29 -0.15 -0.01 -0.08 -1.34 0.00 0.00 175.55 174.26 3m8f s THR 8 N 1.37 3.66 -0.02 4.34 -1.32 -1.26 -5.07 115.64 117.35 3m8f s THR 8 Ca -0.06 -0.40 0.05 0.00 -1.21 0.00 0.00 61.69 60.07 3m8f s THR 8 Cb -0.12 -2.67 -0.01 0.00 -1.51 0.00 0.00 72.50 68.18 3m8f s THR 8 CO -0.04 0.41 -0.16 -0.22 -2.21 0.00 0.00 174.62 172.40 3m8f s LEU 9 N 1.37 2.01 -0.87 9.08 2.96 -1.26 -5.07 118.68 126.89 3m8f s LEU 9 Ca 0.04 -0.29 -0.25 0.00 -0.22 0.00 0.00 54.13 53.42 3m8f s LEU 9 Cb -0.14 -0.82 -0.01 0.00 0.50 0.00 0.00 46.19 45.71 3m8f s LEU 9 CO -0.01 0.19 1.77 0.21 -1.32 0.00 0.00 176.35 177.19 3m8f s ASN 10 N -0.32 5.56 0.35 3.68 2.47 -1.26 -4.85 114.94 120.57 3m8f s ASN 10 Ca 0.05 -0.68 0.11 0.00 0.42 0.00 0.00 52.86 52.76 3m8f s ASN 10 Cb -0.07 -2.56 0.90 0.00 -1.45 0.00 0.00 41.25 38.07 3m8f s ASN 10 CO -0.00 -2.33 1.79 0.40 -3.72 0.00 0.00 177.10 173.24 3m8f h ILE 11 N 7.00 0.66 -1.27 -5.21 1.08 -2.01 -2.99 117.51 114.77 3m8f h ILE 11 Ca 0.04 -0.21 0.37 0.00 -0.39 0.00 0.00 64.86 64.67 3m8f h ILE 11 Cb 1.03 -0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.72 3m8f h ILE 11 CO 1.27 0.11 0.89 0.00 -0.69 0.00 0.00 178.15 179.73 3m8f h ALA 12 N 1.64 3.01 0.00 1.87 0.00 -1.97 -1.28 119.26 122.53 3m8f h ALA 12 Ca 0.56 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 55.22 3m8f h ALA 12 Cb 1.10 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 3m8f h ALA 12 CO -0.32 -1.42 -1.30 1.49 0.00 0.00 0.00 179.25 177.70 3m8f h GLU 13 N 0.08 0.00 -0.06 0.00 4.81 -1.95 -2.48 114.58 114.98 3m8f h GLU 13 Ca 0.64 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.83 3m8f h GLU 13 Cb 2.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.72 3m8f h GLU 13 CO -0.10 0.79 -0.11 0.82 -0.73 0.00 0.00 179.01 179.68 3m8f h ILE 14 N 0.00 1.42 -0.82 2.32 2.04 -1.46 -1.99 117.51 119.03 3m8f h ILE 14 Ca -0.13 -1.42 0.17 0.00 1.00 0.00 0.00 64.86 64.49 3m8f h ILE 14 Cb 1.87 2.23 -0.06 0.00 -0.74 0.00 0.00 36.82 40.12 3m8f h ILE 14 CO 0.11 0.39 0.55 0.00 0.00 0.00 0.00 178.15 179.20 3m8f h ALA 15 N 0.48 2.18 0.04 1.87 0.00 -1.41 0.27 119.26 122.68 3m8f h ALA 15 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3m8f h ALA 15 Cb 0.69 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3m8f h ALA 15 CO 0.02 -0.42 -0.02 1.49 0.00 0.00 0.00 179.25 180.33 3m8f h GLU 16 N 0.40 -0.05 0.55 0.00 4.81 -1.33 -1.90 114.58 117.07 3m8f h GLU 16 Ca 0.41 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.62 3m8f h GLU 16 Cb 1.01 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.40 3m8f h GLU 16 CO -0.14 0.17 -0.28 0.00 -0.73 0.00 0.00 179.01 178.03 3m8f h ARG 17 N -0.27 -0.74 -0.85 1.92 3.08 0.12 -1.38 114.38 116.27 3m8f h ARG 17 Ca -0.01 0.05 0.13 0.00 0.07 0.00 0.00 59.98 60.22 3m8f h ARG 17 Cb 0.24 0.17 -0.09 0.00 0.08 0.00 0.00 29.97 30.37 3m8f h ARG 17 CO 0.01 -0.49 0.46 0.82 -1.07 0.00 0.00 179.97 179.70 3m8f h ILE 18 N -0.76 0.80 0.00 2.04 2.04 -0.76 0.12 117.51 120.99 3m8f h ILE 18 Ca -0.07 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.55 3m8f h ILE 18 Cb 0.60 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 3m8f h ILE 18 CO 0.11 0.13 0.00 0.61 0.00 0.00 0.00 178.15 179.00 3m8f n GLY 19 N -1.32 -0.91 0.98 5.37 0.00 -0.71 -0.54 105.19 108.05 3m8f n GLY 19 Ca 0.16 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.36 3m8f n GLY 19 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3m8f n ASN 20 N -1.89 2.99 -4.22 1.61 4.13 0.39 -4.81 115.26 113.46 3m8f n ASN 20 Ca 0.01 -1.94 -0.39 0.00 1.68 0.00 0.00 54.58 53.94 3m8f n ASN 20 Cb 0.11 -0.11 -0.10 0.00 -1.54 0.00 0.00 39.78 38.14 3m8f n ASN 20 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3m8f s ASP 21 N -1.77 5.52 0.14 6.41 3.68 0.30 -4.98 116.67 125.97 3m8f s ASP 21 Ca 0.33 -1.66 -0.29 0.00 2.13 0.00 0.00 52.55 53.06 3m8f s ASP 21 Cb 0.21 -1.94 -0.08 0.00 -1.45 0.00 0.00 42.92 39.66 3m8f s ASP 21 CO 0.31 -0.55 1.50 -0.78 0.13 0.00 0.00 175.17 175.78 3m8f h ASP 22 N 8.32 -1.94 -0.33 -0.34 1.82 -1.87 -0.90 116.42 121.17 3m8f h ASP 22 Ca -0.21 0.28 -0.02 0.00 -0.39 0.00 0.00 57.03 56.70 3m8f h ASP 22 Cb 1.07 0.84 -0.01 0.00 0.68 0.00 0.00 39.33 41.91 3m8f h ASP 22 CO 0.75 -0.26 0.13 0.00 -1.61 0.00 0.00 179.24 178.25 3m8f h ALA 24 N 0.98 0.18 -0.79 0.00 0.00 -1.77 -3.10 119.26 114.75 3m8f h ALA 24 Ca 0.11 -0.05 0.16 0.00 0.00 0.00 0.00 54.91 55.13 3m8f h ALA 24 Cb 0.19 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 17.82 3m8f h ALA 24 CO -0.01 -0.30 0.32 -0.92 0.00 0.00 0.00 179.25 178.34 3m8f h TYR 25 N 0.14 0.54 -0.23 0.00 3.20 -1.19 -1.73 116.97 117.69 3m8f h TYR 25 Ca 0.05 0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.86 3m8f h TYR 25 Cb 0.06 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 3m8f h TYR 25 CO -0.05 0.04 -0.28 1.96 -1.64 0.00 0.00 178.16 178.20 3m8f h GLN 26 N 0.44 0.45 0.03 1.82 4.20 -1.52 -1.79 115.11 118.75 3m8f h GLN 26 Ca 0.44 -0.18 -0.25 0.00 0.06 0.00 0.00 58.65 58.73 3m8f h GLN 26 Cb 0.71 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.47 3m8f h GLN 26 CO -0.43 0.69 -1.03 0.28 -0.67 0.00 0.00 178.83 177.67 3m8f h VAL 27 N 0.40 1.39 0.57 -0.54 2.07 -1.36 -1.63 116.25 117.14 3m8f h VAL 27 Ca 0.06 -2.52 -0.03 0.00 0.82 0.00 0.00 66.70 65.03 3m8f h VAL 27 Cb 0.70 2.52 0.01 0.00 -1.52 0.00 0.00 31.29 33.00 3m8f h VAL 27 CO 0.05 0.75 -0.27 0.25 0.02 0.00 0.00 177.57 178.37 3m8f h LEU 28 N 0.23 -0.65 -1.98 2.57 5.85 -1.31 -3.28 115.31 116.74 3m8f h LEU 28 Ca -0.11 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.65 3m8f h LEU 28 Cb 1.69 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.88 3m8f h LEU 28 CO 0.18 -0.39 0.15 0.24 -0.34 0.00 0.00 178.44 178.28 3m8f h MET 29 N -0.88 0.02 -0.83 1.25 2.86 -1.29 -2.25 114.93 113.80 3m8f h MET 29 Ca -0.08 -0.00 0.21 0.00 -2.06 0.00 0.00 59.70 57.77 3m8f h MET 29 Cb 0.63 -0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.15 3m8f h MET 29 CO 0.13 0.01 0.15 0.00 1.06 0.00 0.00 176.91 178.26 3m8f h ALA 30 N 1.89 1.08 0.00 6.32 0.00 -1.35 -0.18 119.26 127.03 3m8f h ALA 30 Ca 0.10 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3m8f h ALA 30 Cb 0.37 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3m8f h ALA 30 CO -0.00 -0.44 0.00 1.19 0.00 0.00 0.00 179.25 179.99 3m8f n PHE 31 N -5.27 0.00 -3.67 0.00 3.72 -0.85 -4.33 117.46 107.07 3m8f n PHE 31 Ca 0.18 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.19 3m8f n PHE 31 Cb 0.60 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 39.03 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 -2.00 4.03 1.09 4.37 -1.09 -0.08 0.15 121.20 127.67 3m8f s ILE 32 Ca 0.10 -1.32 -0.12 0.00 -2.23 0.00 0.00 60.65 57.08 3m8f s ILE 32 Cb 0.05 -3.41 0.24 0.00 -1.58 0.00 0.00 42.46 37.76 3m8f s ILE 32 CO 0.08 -0.39 1.06 0.54 -1.23 0.00 0.00 174.94 175.00 3m8f s ASN 33 N 1.82 1.56 0.55 3.58 4.22 0.06 -4.86 114.94 121.87 3m8f s ASN 33 Ca 0.02 1.72 0.28 0.00 -2.14 0.00 0.00 52.86 52.74 3m8f s ASN 33 Cb -0.22 -2.39 1.60 0.00 1.28 0.00 0.00 41.25 41.53 3m8f s ASN 33 CO 0.02 -3.87 2.16 -0.33 -2.04 0.00 0.00 177.10 173.04 3m8f h GLU 34 N -2.40 0.00 0.00 3.55 5.08 -1.96 -0.52 114.58 118.33 3m8f h GLU 34 Ca -0.56 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 3m8f h GLU 34 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 3m8f h GLU 34 CO 0.48 0.07 0.00 0.09 -1.00 0.00 0.00 179.01 178.64 3m8f n ASN 35 N -3.78 0.00 0.00 1.42 5.03 -1.26 -4.83 115.26 111.84 3m8f n ASN 35 Ca -0.02 -1.21 0.00 0.00 0.87 0.00 0.00 54.58 54.22 3m8f n ASN 35 Cb 0.16 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.92 3m8f n ASN 35 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3m8f n GLY 36 N 0.12 1.07 3.85 7.41 0.00 -0.20 -4.98 105.19 112.45 3m8f n GLY 36 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.24 4.00 0.74 1.61 2.02 -1.26 -4.86 118.70 120.72 3m8f s GLU 37 Ca 0.00 0.56 -0.13 0.00 0.02 0.00 0.00 54.97 55.42 3m8f s GLU 37 Cb 0.00 -2.73 0.05 0.00 0.10 0.00 0.00 34.13 31.55 3m8f s GLU 37 CO 0.00 0.34 1.14 0.00 0.02 0.00 0.00 175.26 176.76 3m8f s ALA 38 N -1.69 2.15 0.03 5.21 0.00 -1.26 -0.76 121.76 125.44 3m8f s ALA 38 Ca 0.45 0.61 -0.10 0.00 0.00 0.00 0.00 51.96 52.92 3m8f s ALA 38 Cb -0.13 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 19.62 3m8f s ALA 38 CO 0.20 -1.80 0.20 1.14 0.00 0.00 0.00 175.76 175.50 3m8f s GLN 39 N -4.28 0.66 0.46 0.00 -2.07 0.39 -4.74 119.66 110.08 3m8f s GLN 39 Ca 0.68 -0.53 -0.21 0.00 -1.82 0.00 0.00 55.36 53.49 3m8f s GLN 39 Cb -0.23 0.28 -0.10 0.00 -1.09 0.00 0.00 33.01 31.87 3m8f s GLN 39 CO 0.48 -0.19 1.00 0.00 -1.32 0.00 0.00 175.29 175.26 3m8f s MET 40 N -2.20 4.00 -0.07 9.60 0.00 -1.26 -4.64 119.30 124.72 3m8f s MET 40 Ca -0.08 1.26 -0.17 0.00 0.00 0.00 0.00 55.69 56.70 3m8f s MET 40 Cb -0.03 -2.14 0.04 0.00 0.00 0.00 0.00 34.83 32.70 3m8f s MET 40 CO -0.02 -0.25 0.39 -0.51 0.00 0.00 0.00 175.02 174.64 3m8f s LEU 41 N -3.34 0.50 0.56 0.18 1.43 0.36 -4.96 118.68 113.41 3m8f s LEU 41 Ca 0.65 0.43 0.01 0.00 -1.03 0.00 0.00 54.13 54.18 3m8f s LEU 41 Cb -0.13 1.49 0.03 0.00 0.03 0.00 0.00 46.19 47.61 3m8f s LEU 41 CO 0.17 -0.36 0.79 0.54 0.23 0.00 0.00 176.35 177.71 3m8f s ASN 42 N -0.77 5.27 0.21 2.29 4.22 -1.26 0.11 114.94 125.01 3m8f s ASN 42 Ca -0.09 0.04 -0.09 0.00 -2.14 0.00 0.00 52.86 50.58 3m8f s ASN 42 Cb -0.04 -0.92 0.25 0.00 1.28 0.00 0.00 41.25 41.82 3m8f s ASN 42 CO 0.04 -1.16 1.81 0.11 -2.04 0.00 0.00 177.10 175.85 3m8f h LYS 43 N 0.03 0.66 0.03 3.55 1.57 -1.99 -2.80 116.57 117.63 3m8f h LYS 43 Ca -0.42 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.34 3m8f h LYS 43 Cb 1.30 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 33.42 3m8f h LYS 43 CO 0.53 0.44 -0.21 1.15 -0.57 0.00 0.00 179.45 180.79 3m8f h THR 44 N 0.68 0.52 -0.59 -0.16 2.02 -1.95 -1.27 112.91 112.17 3m8f h THR 44 Ca 0.30 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.51 3m8f h THR 44 Cb 0.20 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 3m8f h THR 44 CO -0.19 0.00 0.36 0.00 0.37 0.00 0.00 175.52 176.06 3m8f h ALA 45 N 0.51 0.75 -0.15 6.16 0.00 -1.93 -1.29 119.26 123.32 3m8f h ALA 45 Ca 0.05 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.97 3m8f h ALA 45 Cb 0.41 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3m8f h ALA 45 CO -0.17 0.11 -0.08 0.28 0.00 0.00 0.00 179.25 179.39 3m8f h VAL 46 N 0.73 0.74 -0.77 0.00 2.07 -1.39 -1.32 116.25 116.30 3m8f h VAL 46 Ca 0.23 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.97 3m8f h VAL 46 Cb -0.01 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 3m8f h VAL 46 CO -0.09 0.00 0.61 0.00 0.02 0.00 0.00 177.57 178.11 3m8f h ALA 47 N 1.05 2.66 0.07 1.67 0.00 -0.10 -1.40 119.26 123.21 3m8f h ALA 47 Ca 0.09 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 3m8f h ALA 47 Cb 0.20 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3m8f h ALA 47 CO -0.20 -1.00 -0.86 0.93 0.00 0.00 0.00 179.25 178.12 3m8f h GLU 48 N 0.00 0.15 -1.08 0.00 5.08 -0.57 -3.35 114.58 114.81 3m8f h GLU 48 Ca 0.37 -0.25 0.30 0.00 -1.00 0.00 0.00 59.36 58.77 3m8f h GLU 48 Cb 1.57 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 30.86 3m8f h GLU 48 CO -0.00 1.12 0.75 0.52 -1.00 0.00 0.00 179.01 180.40 3m8f h MET 49 N -0.63 0.12 -5.24 2.33 2.86 -0.32 -3.40 114.93 110.64 3m8f h MET 49 Ca -0.19 -0.01 -0.66 0.00 -2.06 0.00 0.00 59.70 56.78 3m8f h MET 49 Cb 1.45 -0.03 -0.28 0.00 0.06 0.00 0.00 31.60 32.80 3m8f h MET 49 CO 0.02 0.08 -0.77 0.42 1.06 0.00 0.00 176.91 177.72 3m8f s ILE 50 N -5.12 3.03 -0.88 -1.22 1.01 -1.16 -5.05 121.20 111.82 3m8f s ILE 50 Ca -0.06 -0.66 -0.24 0.00 0.00 0.00 0.00 60.65 59.69 3m8f s ILE 50 Cb 0.23 -2.29 0.05 0.00 0.01 0.00 0.00 42.46 40.47 3m8f s ILE 50 CO 0.80 0.51 1.31 0.00 0.00 0.00 0.00 174.94 177.56 3m8f s GLN 51 N 0.61 3.40 0.06 2.79 -2.07 -1.26 -4.87 119.66 118.31 3m8f s GLN 51 Ca -0.07 -0.82 -0.24 0.00 -1.82 0.00 0.00 55.36 52.41 3m8f s GLN 51 Cb -0.15 -4.78 0.06 0.00 -1.09 0.00 0.00 33.01 27.04 3m8f s GLN 51 CO 0.03 -2.11 0.56 -0.51 -1.32 0.00 0.00 175.29 171.94 3m8f s LEU 52 N 4.98 -0.26 -0.47 2.60 1.02 -1.26 -5.11 118.68 120.16 3m8f s LEU 52 Ca 0.39 0.22 -0.42 0.00 0.02 0.00 0.00 54.13 54.33 3m8f s LEU 52 Cb -0.05 2.29 -0.18 0.00 0.02 0.00 0.00 46.19 48.27 3m8f s LEU 52 CO 0.01 -0.76 1.97 -0.24 0.02 0.00 0.00 176.35 177.36 3m8f n SER 53 N 0.31 0.76 -0.32 2.29 2.88 -1.26 -4.78 113.62 113.51 3m8f n SER 53 Ca -0.18 0.70 0.11 0.00 -1.33 0.00 0.00 58.87 58.18 3m8f n SER 53 Cb 0.61 -0.85 0.25 0.00 -0.75 0.00 0.00 64.21 63.46 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 8.09 0.04 -0.42 -1.46 3.64 -1.94 0.63 116.57 125.15 3m8f h LYS 54 Ca -0.13 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.31 3m8f h LYS 54 Cb 1.34 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 33.06 3m8f h LYS 54 CO 1.02 0.03 -0.46 -1.35 -2.27 0.00 0.00 179.45 176.42 3m8f h PRO 55 N 0.04 -0.33 -0.98 1.90 0.11 -2.00 -0.52 132.00 130.23 3m8f h PRO 55 Ca 0.54 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.68 3m8f h PRO 55 Cb 1.06 0.07 -0.05 0.00 0.11 0.00 0.00 31.00 32.20 3m8f h PRO 55 CO -0.86 -0.22 0.63 1.79 -0.21 0.00 0.00 178.00 179.13 3m8f h THR 56 N -0.34 1.26 -0.44 -1.15 1.35 -1.27 0.63 112.91 112.95 3m8f h THR 56 Ca 0.13 -0.50 -0.07 0.00 -0.55 0.00 0.00 66.41 65.42 3m8f h THR 56 Cb 0.59 -0.17 -0.02 0.00 -1.73 0.00 0.00 68.15 66.82 3m8f h THR 56 CO -0.59 0.26 -0.02 0.58 -0.25 0.00 0.00 175.52 175.50 3m8f h VAL 57 N 1.33 1.24 -0.30 6.82 2.07 -1.04 0.14 116.25 126.51 3m8f h VAL 57 Ca 0.36 -0.99 -0.06 0.00 0.82 0.00 0.00 66.70 66.83 3m8f h VAL 57 Cb -0.12 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3m8f h VAL 57 CO -0.07 0.34 -0.05 -0.26 0.02 0.00 0.00 177.57 177.55 3m8f h PHE 58 N 0.68 0.63 -0.71 1.57 -1.00 -0.28 -1.77 116.94 116.06 3m8f h PHE 58 Ca 0.13 -0.13 0.02 0.00 2.81 0.00 0.00 57.97 60.81 3m8f h PHE 58 Cb 0.45 -0.16 -0.04 0.00 3.61 0.00 0.00 35.95 39.81 3m8f h PHE 58 CO 0.02 0.74 0.47 0.00 -1.61 0.00 0.00 178.31 177.93 3m8f h ALA 59 N 0.80 1.56 -0.04 2.45 0.00 -0.57 -0.59 119.26 122.87 3m8f h ALA 59 Ca 0.08 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3m8f h ALA 59 Cb 0.53 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3m8f h ALA 59 CO 0.03 0.38 -0.17 1.15 0.00 0.00 0.00 179.25 180.64 3m8f h THR 60 N 0.89 1.46 -0.79 0.00 2.02 -0.86 -2.51 112.91 113.13 3m8f h THR 60 Ca 0.27 -1.61 0.15 0.00 0.77 0.00 0.00 66.41 65.99 3m8f h THR 60 Cb -0.00 2.40 -0.10 0.00 -1.74 0.00 0.00 68.15 68.71 3m8f h THR 60 CO -0.07 0.45 0.33 0.58 0.37 0.00 0.00 175.52 177.17 3m8f h VAL 61 N -0.36 0.65 0.22 3.16 2.07 -1.13 -1.05 116.25 119.81 3m8f h VAL 61 Ca -0.01 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.35 3m8f h VAL 61 Cb 0.81 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3m8f h VAL 61 CO 0.04 0.09 -0.20 0.78 0.02 0.00 0.00 177.57 178.29 3m8f h ASN 62 N 0.47 -0.52 -0.69 0.57 2.35 -0.92 -1.94 115.58 114.89 3m8f h ASN 62 Ca 0.44 0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 56.16 3m8f h ASN 62 Cb 0.68 0.18 -0.03 0.00 0.05 0.00 0.00 38.32 39.20 3m8f h ASN 62 CO -0.41 -0.30 0.16 4.11 -1.65 0.00 0.00 177.43 179.34 3m8f h TRP 63 N -0.44 1.18 -1.01 1.19 0.09 -1.25 -1.72 115.95 113.99 3m8f h TRP 63 Ca -0.01 -0.14 0.25 0.00 0.09 0.00 0.00 58.89 59.08 3m8f h TRP 63 Cb 0.40 -0.33 -0.12 0.00 0.08 0.00 0.00 29.16 29.19 3m8f h TRP 63 CO -0.14 0.96 0.60 0.74 0.09 0.00 0.00 178.44 180.69 3m8f h PHE 64 N 1.05 0.99 0.00 0.12 -1.00 -1.01 0.56 116.94 117.65 3m8f h PHE 64 Ca 0.22 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.03 3m8f h PHE 64 Cb 0.39 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 39.66 3m8f h PHE 64 CO 0.03 0.06 0.00 0.98 -1.61 0.00 0.00 178.31 177.77 3m8f n TYR 65 N -4.87 0.00 0.00 -0.55 9.36 -0.69 0.00 117.16 120.41 3m8f n TYR 65 Ca 0.27 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.49 3m8f n TYR 65 Cb 0.77 -0.38 0.00 0.00 -0.63 0.00 0.00 39.34 39.09 3m8f n TYR 65 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3m8f h ALA 67 N -0.22 2.25 0.00 0.00 0.00 0.07 -3.44 119.26 117.92 3m8f h ALA 67 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3m8f h ALA 67 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3m8f h ALA 67 CO 0.00 -0.83 0.00 0.41 0.00 0.00 0.00 179.25 178.83 3m8f n GLY 68 N -1.52 1.06 0.11 0.00 0.00 0.14 -5.01 105.19 99.96 3m8f n GLY 68 Ca 0.10 -0.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 0.40 -3.33 1.61 0.05 -0.55 -3.40 116.97 111.75 3m8f h TYR 69 Ca 0.00 -0.29 -0.53 0.00 0.05 0.00 0.00 58.73 57.96 3m8f h TYR 69 Cb 0.01 -0.02 -0.35 0.00 1.01 0.00 0.00 36.73 37.39 3m8f h TYR 69 CO 0.00 1.32 -0.81 0.96 -1.05 0.00 0.00 178.16 178.58 3m8f s ILE 70 N -2.63 1.14 0.38 -2.88 -4.36 -1.17 -0.37 121.20 111.32 3m8f s ILE 70 Ca -0.07 -0.44 -0.24 0.00 -0.26 0.00 0.00 60.65 59.64 3m8f s ILE 70 Cb 0.07 -1.08 -0.09 0.00 1.25 0.00 0.00 42.46 42.61 3m8f s ILE 70 CO 0.85 0.37 1.02 -1.81 0.24 0.00 0.00 174.94 175.61 3m8f s ASP 71 N 1.03 6.91 -0.08 4.36 1.01 0.18 -4.51 116.67 125.58 3m8f s ASP 71 Ca -0.07 1.97 0.00 0.00 0.71 0.00 0.00 52.55 55.16 3m8f s ASP 71 Cb -0.15 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.17 3m8f s ASP 71 CO -0.01 -0.38 -0.07 -0.70 0.21 0.00 0.00 175.17 174.22 3m8f s GLU 72 N -2.43 2.85 -0.05 8.23 2.12 -1.26 -1.08 118.70 127.08 3m8f s GLU 72 Ca 0.56 -0.56 0.02 0.00 0.36 0.00 0.00 54.97 55.35 3m8f s GLU 72 Cb -0.20 -2.61 0.02 0.00 0.26 0.00 0.00 34.13 31.59 3m8f s GLU 72 CO 0.26 0.61 -0.08 0.99 -0.54 0.00 0.00 175.26 176.50 3m8f s THR 73 N -0.65 0.75 -0.29 -1.70 2.01 -0.26 -5.00 115.64 110.51 3m8f s THR 73 Ca 0.10 -0.28 -0.29 0.00 0.31 0.00 0.00 61.69 61.53 3m8f s THR 73 Cb -0.11 -0.72 0.01 0.00 0.01 0.00 0.00 72.50 71.68 3m8f s THR 73 CO 0.02 0.26 1.21 -0.60 -0.69 0.00 0.00 174.62 174.82 3m8f s ARG 74 N 0.66 4.01 -0.29 4.92 6.06 -1.26 -1.97 118.95 131.08 3m8f s ARG 74 Ca -0.11 1.23 0.03 0.00 -2.50 0.00 0.00 55.73 54.39 3m8f s ARG 74 Cb -0.13 -3.81 0.08 0.00 0.06 0.00 0.00 34.95 31.14 3m8f s ARG 74 CO 0.01 -0.99 -0.04 0.08 -2.50 0.00 0.00 175.30 171.86 3m8f s VAL 75 N 4.00 2.20 0.00 7.11 1.01 -0.41 -4.99 120.40 129.31 3m8f s VAL 75 Ca 0.52 -1.92 0.00 0.00 0.00 0.00 0.00 61.98 60.58 3m8f s VAL 75 Cb -0.16 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.79 3m8f s VAL 75 CO 0.19 -0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.64 3m8f n GLY 76 N 4.36 0.40 0.12 4.51 0.00 -1.26 -1.86 105.19 111.47 3m8f n GLY 76 Ca -0.07 0.69 -0.15 0.00 0.00 0.00 0.00 46.02 46.49 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 0.67 -3.67 1.61 0.63 -1.26 -5.04 116.66 109.60 3m8f n ARG 77 Ca 0.00 0.11 -0.22 0.00 -0.92 0.00 0.00 57.85 56.81 3m8f n ARG 77 Cb 0.00 -1.53 -0.03 0.00 0.45 0.00 0.00 32.46 31.35 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 -6.20 4.90 -0.17 6.15 1.04 -0.78 -5.12 113.70 113.52 3m8f s SER 78 Ca -0.26 -0.87 -0.07 0.00 0.48 0.00 0.00 55.95 55.23 3m8f s SER 78 Cb 0.08 -0.37 -0.04 0.00 0.10 0.00 0.00 66.02 65.79 3m8f s SER 78 CO 0.69 -0.73 0.05 -1.59 0.98 0.00 0.00 173.24 172.63 3m8f s LYS 79 N -4.14 3.89 -0.06 4.02 -2.85 -1.26 -1.29 119.74 118.05 3m8f s LYS 79 Ca 0.45 -0.36 0.06 0.00 -1.00 0.00 0.00 55.97 55.12 3m8f s LYS 79 Cb -0.02 -3.17 -0.01 0.00 -2.06 0.00 0.00 37.83 32.58 3m8f s LYS 79 CO 0.26 0.31 -0.23 0.42 0.10 0.00 0.00 175.35 176.21 3m8f s ILE 80 N 0.27 1.93 -0.06 3.79 -1.09 -0.83 -4.38 121.20 120.82 3m8f s ILE 80 Ca 0.03 -0.99 0.02 0.00 -2.23 0.00 0.00 60.65 57.47 3m8f s ILE 80 Cb -0.12 -1.64 -0.03 0.00 -1.58 0.00 0.00 42.46 39.08 3m8f s ILE 80 CO 0.01 0.54 -0.09 -0.31 -1.23 0.00 0.00 174.94 173.85 3m8f s TYR 81 N -0.06 2.87 0.27 3.97 2.02 0.30 -1.10 117.35 125.62 3m8f s TYR 81 Ca -0.06 -0.04 0.05 0.00 -0.37 0.00 0.00 57.07 56.65 3m8f s TYR 81 Cb -0.14 -1.69 -0.06 0.00 -0.40 0.00 0.00 41.96 39.67 3m8f s TYR 81 CO 0.04 0.28 -0.01 0.95 -1.57 0.00 0.00 175.55 175.24 3m8f s THR 82 N -0.76 1.29 0.32 -0.71 -4.23 -0.24 -0.49 115.64 110.82 3m8f s THR 82 Ca 0.12 -2.06 -0.28 0.00 -1.18 0.00 0.00 61.69 58.29 3m8f s THR 82 Cb -0.11 -2.48 -0.09 0.00 1.34 0.00 0.00 72.50 71.15 3m8f s THR 82 CO 0.01 -0.24 1.12 -0.76 -0.54 0.00 0.00 174.62 174.21 3m8f s LEU 83 N -3.40 4.42 1.14 4.79 1.43 -1.26 0.51 118.68 126.30 3m8f s LEU 83 Ca 0.31 2.29 -0.18 0.00 -1.03 0.00 0.00 54.13 55.51 3m8f s LEU 83 Cb 0.06 -3.78 0.26 0.00 0.03 0.00 0.00 46.19 42.76 3m8f s LEU 83 CO 0.11 -0.32 1.16 -0.94 0.23 0.00 0.00 176.35 176.59 3m8f s SER 84 N -0.99 1.52 0.47 2.29 1.04 0.50 -4.53 113.70 114.00 3m8f s SER 84 Ca 0.49 0.57 0.17 0.00 0.48 0.00 0.00 55.95 57.66 3m8f s SER 84 Cb -0.31 -0.80 1.10 0.00 0.10 0.00 0.00 66.02 66.12 3m8f s SER 84 CO 0.40 -3.75 2.02 0.44 0.98 0.00 0.00 173.24 173.33 3m8f h ASP 85 N -2.33 0.00 0.03 7.02 3.32 -1.88 -1.40 116.42 121.19 3m8f h ASP 85 Ca -0.45 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.60 3m8f h ASP 85 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 3m8f h ASP 85 CO 0.36 0.16 -0.02 0.25 -1.72 0.00 0.00 179.24 178.28 3m8f h LEU 86 N 0.00 -0.04 -0.56 1.55 5.85 -1.87 -1.97 115.31 118.27 3m8f h LEU 86 Ca -0.00 -0.46 0.11 0.00 0.84 0.00 0.00 57.88 58.36 3m8f h LEU 86 Cb 0.29 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.25 3m8f h LEU 86 CO 0.02 0.45 0.05 1.23 -0.34 0.00 0.00 178.44 179.85 3m8f h GLY 87 N -0.54 0.63 0.90 3.75 0.00 -1.46 -0.40 103.07 105.95 3m8f h GLY 87 Ca -0.00 0.03 0.03 0.00 0.00 0.00 0.00 47.33 47.38 3m8f h GLY 87 CO 0.01 -0.14 0.55 -2.08 0.00 0.00 0.00 176.54 174.88 3m8f h VAL 88 N 0.17 1.15 -0.63 4.60 2.07 -1.30 -1.84 116.25 120.48 3m8f h VAL 88 Ca 0.29 -0.37 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 3m8f h VAL 88 Cb 0.44 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 3m8f h VAL 88 CO -0.43 0.20 0.02 -0.33 0.02 0.00 0.00 177.57 177.05 3m8f h GLU 89 N 1.08 1.09 -0.46 1.57 4.39 -0.34 0.15 114.58 122.05 3m8f h GLU 89 Ca 0.33 -0.34 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 3m8f h GLU 89 Cb -0.02 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 3m8f h GLU 89 CO -0.11 1.05 0.27 0.82 -1.16 0.00 0.00 179.01 179.88 3m8f h ILE 90 N 1.00 1.15 -0.86 3.13 2.04 -0.91 -1.95 117.51 121.11 3m8f h ILE 90 Ca 0.18 -0.37 0.02 0.00 1.00 0.00 0.00 64.86 65.69 3m8f h ILE 90 Cb 0.54 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 3m8f h ILE 90 CO 0.03 0.16 0.57 0.58 0.00 0.00 0.00 178.15 179.49 3m8f h VAL 91 N 0.61 1.20 0.00 1.67 2.07 -1.01 -2.18 116.25 118.61 3m8f h VAL 91 Ca 0.17 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 3m8f h VAL 91 Cb 0.02 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 29.75 3m8f h VAL 91 CO -0.03 0.21 -0.07 -0.33 0.02 0.00 0.00 177.57 177.37 3m8f h GLU 92 N 1.14 0.00 0.54 1.57 4.39 -0.25 0.55 114.58 122.52 3m8f h GLU 92 Ca 0.32 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.00 3m8f h GLU 92 Cb -0.09 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.57 3m8f h GLU 92 CO -0.08 0.07 -0.26 0.00 -1.16 0.00 0.00 179.01 177.58 3m8f h PHE 94 N -1.01 0.61 -0.66 0.00 0.05 -1.03 0.34 116.94 115.24 3m8f h PHE 94 Ca -0.07 0.03 0.11 0.00 3.82 0.00 0.00 57.97 61.86 3m8f h PHE 94 Cb 0.63 -0.16 -0.08 0.00 2.00 0.00 0.00 35.95 38.34 3m8f h PHE 94 CO 0.01 0.16 0.23 -0.22 -0.18 0.00 0.00 178.31 178.31 3m8f h LYS 95 N 0.55 0.38 0.03 1.51 3.64 0.02 -1.09 116.57 121.61 3m8f h LYS 95 Ca 0.39 -0.02 -0.22 0.00 -1.27 0.00 0.00 60.65 59.52 3m8f h LYS 95 Cb 0.49 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 3m8f h LYS 95 CO -0.33 0.25 -1.00 1.96 -2.27 0.00 0.00 179.45 178.06 3m8f h GLN 96 N 0.39 0.13 -0.16 1.90 4.20 -0.73 -2.75 115.11 118.08 3m8f h GLN 96 Ca 0.34 -0.19 -0.16 0.00 0.06 0.00 0.00 58.65 58.71 3m8f h GLN 96 Cb 0.48 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 3m8f h GLN 96 CO -0.36 1.02 -0.56 0.87 -0.67 0.00 0.00 178.83 179.13 3m8f h LYS 97 N 0.05 0.50 -0.48 1.46 1.57 -0.02 -2.15 116.57 117.50 3m8f h LYS 97 Ca -0.05 -0.32 -0.12 0.00 -1.87 0.00 0.00 60.65 58.28 3m8f h LYS 97 Cb 1.71 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 34.04 3m8f h LYS 97 CO 0.15 0.93 -0.19 0.00 -0.57 0.00 0.00 179.45 179.77 3m8f h ALA 98 N 1.01 0.67 0.03 3.86 0.00 -1.29 -3.31 119.26 120.23 3m8f h ALA 98 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3m8f h ALA 98 Cb 1.10 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3m8f h ALA 98 CO 0.10 0.64 -0.17 0.52 0.00 0.00 0.00 179.25 180.34 3m8f h MET 99 N 0.83 -0.23 0.00 0.00 2.86 -1.25 -3.52 114.93 113.63 3m8f h MET 99 Ca 0.11 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3m8f h MET 99 Cb 0.76 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.47 3m8f h MET 99 CO 0.06 -0.15 0.00 0.39 1.06 0.00 0.00 176.91 178.27