#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c0f s MET 4 N 0.00 1.40 0.44 9.51 0.00 -1.26 -5.10 119.30 124.29 3c0f s MET 4 Ca 0.00 -1.76 -0.26 0.00 0.00 0.00 0.00 55.69 53.67 3c0f s MET 4 Cb 0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 34.83 34.65 3c0f s MET 4 CO 0.00 -0.35 1.45 -0.25 0.00 0.00 0.00 175.02 175.86 3c0f n ASP 5 N -0.52 3.44 -4.06 -1.18 8.00 -1.23 -4.98 116.55 116.03 3c0f n ASP 5 Ca 0.01 1.14 -0.19 0.00 0.71 0.00 0.00 54.79 56.46 3c0f n ASP 5 Cb 0.66 -1.61 -0.14 0.00 -0.02 0.00 0.00 41.12 40.01 3c0f n ASP 5 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3c0f s GLU 6 N -2.38 0.79 0.41 -1.24 2.02 -1.26 -4.26 118.70 112.77 3c0f s GLU 6 Ca 0.60 -0.45 0.04 0.00 0.02 0.00 0.00 54.97 55.17 3c0f s GLU 6 Cb -0.45 -0.75 -0.01 0.00 0.10 0.00 0.00 34.13 33.01 3c0f s GLU 6 CO 0.59 0.20 0.14 -0.89 0.02 0.00 0.00 175.26 175.32 3c0f n ILE 7 N 2.56 0.00 -3.53 -1.63 5.41 -1.26 -5.02 119.36 115.88 3c0f n ILE 7 Ca -0.15 -2.37 0.02 0.00 1.00 0.00 0.00 62.75 61.25 3c0f n ILE 7 Cb 0.56 0.84 -0.06 0.00 -0.71 0.00 0.00 39.64 40.27 3c0f n ILE 7 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3c0f s VAL 9 N -3.07 -0.06 -0.31 1.39 1.01 0.13 -0.44 120.40 119.05 3c0f s VAL 9 Ca 0.20 0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.22 3c0f s VAL 9 Cb 0.01 -1.00 0.09 0.00 0.00 0.00 0.00 36.38 35.48 3c0f s VAL 9 CO 0.14 0.00 -0.00 0.20 0.00 0.00 0.00 175.10 175.44 3c0f s ASN 10 N 1.43 4.66 -0.07 3.32 0.01 -1.26 -1.19 114.94 121.84 3c0f s ASN 10 Ca -0.06 -1.90 -0.05 0.00 -0.71 0.00 0.00 52.86 50.14 3c0f s ASN 10 Cb -0.03 -1.60 -0.04 0.00 0.41 0.00 0.00 41.25 40.00 3c0f s ASN 10 CO -0.13 -0.32 0.13 -0.76 -1.51 0.00 0.00 177.10 174.52 3c0f s LEU 11 N 0.97 4.24 0.30 0.60 1.43 -1.26 -5.01 118.68 119.95 3c0f s LEU 11 Ca 0.04 0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.52 3c0f s LEU 11 Cb -0.19 -2.21 0.47 0.00 0.03 0.00 0.00 46.19 44.29 3c0f s LEU 11 CO -0.07 0.35 1.84 1.56 0.23 0.00 0.00 176.35 180.26 3c0f h GLN 12 N 4.60 0.72 -7.25 1.70 4.20 -2.06 -3.44 115.11 113.58 3c0f h GLN 12 Ca -0.52 -0.15 -0.49 0.00 0.06 0.00 0.00 58.65 57.55 3c0f h GLN 12 Cb 1.21 -0.11 0.04 0.00 0.30 0.00 0.00 27.48 28.92 3c0f h GLN 12 CO 0.61 0.68 0.37 -1.59 -0.67 0.00 0.00 178.83 178.23 3c0f s LYS 13 N -5.12 3.76 0.26 1.46 -2.85 -1.26 -5.05 119.74 110.94 3c0f s LYS 13 Ca -0.09 0.80 -0.29 0.00 -1.00 0.00 0.00 55.97 55.39 3c0f s LYS 13 Cb 0.15 -2.13 -0.09 0.00 -2.06 0.00 0.00 37.83 33.70 3c0f s LYS 13 CO 0.79 -0.40 0.93 -1.21 0.10 0.00 0.00 175.35 175.56 3c0f s GLU 14 N -4.62 4.77 0.05 1.78 0.41 -1.26 -5.06 118.70 114.77 3c0f s GLU 14 Ca 0.56 1.43 0.08 0.00 -0.41 0.00 0.00 54.97 56.63 3c0f s GLU 14 Cb -0.10 -3.14 -0.03 0.00 -1.78 0.00 0.00 34.13 29.07 3c0f s GLU 14 CO 0.43 0.45 -0.24 0.14 -0.49 0.00 0.00 175.26 175.55 3c0f s VAL 15 N -1.30 1.93 0.76 2.63 -7.23 -1.26 -5.11 120.40 110.82 3c0f s VAL 15 Ca 0.43 -1.33 -0.09 0.00 -1.81 0.00 0.00 61.98 59.18 3c0f s VAL 15 Cb -0.24 -1.67 0.08 0.00 0.56 0.00 0.00 36.38 35.11 3c0f s VAL 15 CO 0.29 0.27 1.09 -0.94 -0.31 0.00 0.00 175.10 175.51 3c0f s SER 16 N -1.27 4.58 0.17 4.85 1.04 -1.26 -4.87 113.70 116.93 3c0f s SER 16 Ca 0.10 0.52 -0.15 0.00 0.48 0.00 0.00 55.95 56.91 3c0f s SER 16 Cb -0.09 -1.07 0.08 0.00 0.10 0.00 0.00 66.02 65.03 3c0f s SER 16 CO 0.02 -1.79 1.80 0.25 0.98 0.00 0.00 173.24 174.50 3c0f h LEU 17 N -0.82 0.40 -0.31 2.42 5.85 -2.01 -0.51 115.31 120.34 3c0f h LEU 17 Ca -0.45 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 3c0f h LEU 17 Cb 1.31 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 3c0f h LEU 17 CO 0.60 0.29 0.18 -0.08 -0.34 0.00 0.00 178.44 179.08 3c0f h GLU 18 N 0.51 0.43 -0.44 1.25 4.81 -1.99 -0.41 114.58 118.74 3c0f h GLU 18 Ca 0.19 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3c0f h GLU 18 Cb 0.04 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 3c0f h GLU 18 CO -0.10 0.35 0.25 0.93 -0.73 0.00 0.00 179.01 179.71 3c0f h GLU 19 N 0.39 0.61 -0.68 1.92 5.08 -1.90 -1.42 114.58 118.57 3c0f h GLU 19 Ca 0.11 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 3c0f h GLU 19 Cb 0.04 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 3c0f h GLU 19 CO -0.02 0.48 0.21 0.00 -1.00 0.00 0.00 179.01 178.68 3c0f h ALA 20 N 1.10 0.89 -0.54 3.43 0.00 -0.92 -1.56 119.26 121.66 3c0f h ALA 20 Ca 0.16 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3c0f h ALA 20 Cb 0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3c0f h ALA 20 CO -0.03 0.57 0.19 1.49 0.00 0.00 0.00 179.25 181.47 3c0f h GLU 21 N 0.99 0.82 -0.37 0.00 4.81 -0.91 -0.75 114.58 119.17 3c0f h GLU 21 Ca 0.22 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3c0f h GLU 21 Cb 0.30 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 3c0f h GLU 21 CO -0.01 0.74 0.25 -0.09 -0.73 0.00 0.00 179.01 179.17 3c0f h ARG 22 N 0.73 0.49 -0.41 1.92 2.43 -1.08 -2.76 114.38 115.70 3c0f h ARG 22 Ca 0.18 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.36 3c0f h ARG 22 Cb 0.24 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 3c0f h ARG 22 CO -0.01 0.32 0.15 1.88 -1.51 0.00 0.00 179.97 180.81 3c0f h TYR 23 N 0.50 0.27 0.00 2.20 -1.99 -1.09 -0.78 116.97 116.09 3c0f h TYR 23 Ca 0.14 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.89 3c0f h TYR 23 Cb -0.06 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 38.61 3c0f h TYR 23 CO -0.05 0.11 0.00 0.00 -0.00 0.00 0.00 178.16 178.22 3c0f n ALA 24 N -2.36 1.39 0.00 3.88 0.00 -0.30 -2.06 120.51 121.05 3c0f n ALA 24 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3c0f n ALA 24 Cb 0.15 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.60 3c0f n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3c0f n ASN 26 N 0.46 0.00 0.01 0.00 3.02 -0.30 -0.94 115.26 117.50 3c0f n ASN 26 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.43 3c0f n ASN 26 Cb 0.06 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.15 3c0f n ASN 26 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3c0f h ILE 27 N 0.00 1.20 -0.91 2.41 2.04 -1.68 -3.14 117.51 117.44 3c0f h ILE 27 Ca 0.00 -0.59 0.17 0.00 1.00 0.00 0.00 64.86 65.44 3c0f h ILE 27 Cb 0.00 1.58 -0.07 0.00 -0.74 0.00 0.00 36.82 37.59 3c0f h ILE 27 CO 0.00 0.15 0.59 0.00 0.00 0.00 0.00 178.15 178.89 3c0f h ALA 28 N 0.76 1.92 0.00 1.87 0.00 -1.32 -3.39 119.26 119.10 3c0f h ALA 28 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3c0f h ALA 28 Cb 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3c0f h ALA 28 CO 0.00 -0.19 0.35 -1.13 0.00 0.00 0.00 179.25 178.29 3c0f n SER 29 N -4.57 0.85 0.00 0.00 3.41 -1.19 -3.36 113.62 108.76 3c0f n SER 29 Ca 0.19 -1.66 0.00 0.00 -0.26 0.00 0.00 58.87 57.14 3c0f n SER 29 Cb 0.55 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 3c0f n SER 29 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3c0f n TYR 31 N 2.92 0.00 -1.34 7.33 4.01 -1.26 -4.82 117.16 123.99 3c0f n TYR 31 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 3c0f n TYR 31 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 3c0f n TYR 31 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3c0f n GLY 32 N 0.00 0.31 3.58 2.72 0.00 -1.21 -4.87 105.19 105.71 3c0f n GLY 32 Ca 0.00 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 3c0f n GLY 32 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3c0f s ASP 33 N -4.00 6.47 -0.62 1.61 -1.08 0.53 -4.86 116.67 114.72 3c0f s ASP 33 Ca 0.00 0.11 -0.25 0.00 -0.52 0.00 0.00 52.55 51.89 3c0f s ASP 33 Cb 0.00 -2.53 0.04 0.00 -1.46 0.00 0.00 42.92 38.97 3c0f s ASP 33 CO 0.00 -1.40 1.06 -0.83 0.52 0.00 0.00 175.17 174.53 3c0f s GLY 34 N 2.83 1.24 -0.53 2.66 0.00 -1.26 -0.66 107.32 111.60 3c0f s GLY 34 Ca 0.42 -1.31 -0.21 0.00 0.00 0.00 0.00 44.72 43.62 3c0f s GLY 34 CO 0.26 2.26 0.77 -0.42 0.00 0.00 0.00 173.10 175.97 3c0f s ILE 35 N 4.53 4.65 -0.16 0.90 -1.09 -0.45 -4.96 121.20 124.62 3c0f s ILE 35 Ca 0.32 -0.15 -0.29 0.00 -2.23 0.00 0.00 60.65 58.30 3c0f s ILE 35 Cb -0.12 -4.41 -0.02 0.00 -1.58 0.00 0.00 42.46 36.34 3c0f s ILE 35 CO 0.18 -0.95 1.34 -0.22 -1.23 0.00 0.00 174.94 174.06 3c0f s LEU 36 N 3.23 4.17 -0.24 2.97 2.96 -1.26 -0.98 118.68 129.52 3c0f s LEU 36 Ca 0.22 1.74 -0.06 0.00 -0.22 0.00 0.00 54.13 55.80 3c0f s LEU 36 Cb -0.16 -3.54 -0.17 0.00 0.50 0.00 0.00 46.19 42.82 3c0f s LEU 36 CO 0.15 -0.83 -0.14 0.18 -1.32 0.00 0.00 176.35 174.39 3c0f n LEU 37 N 6.85 2.52 -3.65 -0.68 4.77 0.40 -4.98 117.00 122.23 3c0f n LEU 37 Ca 0.15 0.11 -0.11 0.00 -0.03 0.00 0.00 56.01 56.13 3c0f n LEU 37 Cb 0.45 -0.92 -0.05 0.00 -2.33 0.00 0.00 43.42 40.56 3c0f n LEU 37 CO 0.58 0.76 0.14 -0.94 -1.33 0.00 0.00 177.39 176.60 3c0f s SER 38 N -6.93 -0.22 0.03 -1.43 1.04 -1.15 -4.42 113.70 100.62 3c0f s SER 38 Ca -0.34 -0.27 0.02 0.00 0.48 0.00 0.00 55.95 55.84 3c0f s SER 38 Cb 0.10 0.45 -0.02 0.00 0.10 0.00 0.00 66.02 66.66 3c0f s SER 38 CO 0.59 -0.80 -0.06 0.54 0.98 0.00 0.00 173.24 174.49 3c0f s VAL 39 N -3.51 0.41 -0.01 5.02 0.11 0.13 -1.30 120.40 121.25 3c0f s VAL 39 Ca 0.01 -0.80 0.01 0.00 -2.93 0.00 0.00 61.98 58.27 3c0f s VAL 39 Cb 0.01 -0.46 0.01 0.00 -1.53 0.00 0.00 36.38 34.41 3c0f s VAL 39 CO -0.10 -0.27 -0.02 -2.28 -3.33 0.00 0.00 175.10 169.10 3c0f s HIS 40 N -1.04 0.27 -0.36 1.54 5.04 -0.41 -1.37 115.29 118.96 3c0f s HIS 40 Ca -0.08 -0.03 -0.11 0.00 -1.54 0.00 0.00 55.06 53.30 3c0f s HIS 40 Cb -0.08 -0.22 0.02 0.00 0.04 0.00 0.00 32.58 32.34 3c0f s HIS 40 CO 0.00 -0.04 0.19 0.34 -2.34 0.00 0.00 174.74 172.90 3c0f s ASP 41 N 0.21 5.68 0.00 9.88 -1.08 0.50 -0.75 116.67 131.12 3c0f s ASP 41 Ca -0.02 -0.89 0.00 0.00 -0.52 0.00 0.00 52.55 51.12 3c0f s ASP 41 Cb -0.04 -2.02 0.00 0.00 -1.46 0.00 0.00 42.92 39.40 3c0f s ASP 41 CO -0.01 -0.34 1.23 -1.20 0.52 0.00 0.00 175.17 175.38 3c0f n SER 42 N 4.99 3.33 0.00 -0.34 7.64 0.24 -0.28 113.62 129.20 3c0f n SER 42 Ca -0.12 -1.85 0.00 0.00 1.01 0.00 0.00 58.87 57.91 3c0f n SER 42 Cb 0.47 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 3c0f n SER 42 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3c0f n THR 44 N 1.50 0.00 -0.33 0.44 -2.24 -1.26 -5.04 114.28 107.35 3c0f n THR 44 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3c0f n THR 44 Cb 0.34 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 3c0f n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3c0f n GLY 45 N -0.44 0.97 3.76 3.38 0.00 0.62 -5.04 105.19 108.44 3c0f n GLY 45 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3c0f n GLY 45 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3c0f n TYR 46 N -2.00 2.78 -3.95 1.61 9.36 -1.21 -4.76 117.16 118.99 3c0f n TYR 46 Ca 0.00 0.46 -0.09 0.00 3.32 0.00 0.00 57.90 61.59 3c0f n TYR 46 Cb 0.00 -2.49 -0.10 0.00 -0.63 0.00 0.00 39.34 36.12 3c0f n TYR 46 CO 0.00 0.00 0.00 -0.98 0.22 0.00 0.00 176.86 176.10 3c0f s ARG 47 N -2.14 0.50 -0.02 2.98 3.03 -1.26 -0.37 118.95 121.67 3c0f s ARG 47 Ca 0.55 -0.71 0.02 0.00 2.03 0.00 0.00 55.73 57.63 3c0f s ARG 47 Cb -0.49 0.19 0.00 0.00 -1.03 0.00 0.00 34.95 33.63 3c0f s ARG 47 CO 0.62 -0.11 -0.08 0.00 -1.13 0.00 0.00 175.30 174.60 3c0f s ALA 48 N -2.25 0.76 1.20 7.88 0.00 -0.47 -4.39 121.76 124.48 3c0f s ALA 48 Ca -0.08 -0.30 -0.19 0.00 0.00 0.00 0.00 51.96 51.38 3c0f s ALA 48 Cb -0.04 -0.27 0.29 0.00 0.00 0.00 0.00 23.12 23.10 3c0f s ALA 48 CO -0.03 0.13 1.12 -1.25 0.00 0.00 0.00 175.76 175.73 3c0f s PRO 49 N 0.12 -1.19 -1.13 0.00 0.04 -1.26 -0.70 135.00 130.89 3c0f s PRO 49 Ca -0.02 -0.12 -0.22 0.00 0.04 0.00 0.00 61.00 60.69 3c0f s PRO 49 Cb -0.07 -1.60 0.01 0.00 0.04 0.00 0.00 34.50 32.87 3c0f s PRO 49 CO 0.00 -3.68 1.75 -2.00 0.04 0.00 0.00 177.00 173.11 3c0f s GLU 50 N -5.46 3.28 -0.20 4.56 2.12 -1.26 -4.90 118.70 116.84 3c0f s GLU 50 Ca 0.71 -1.27 0.01 0.00 0.36 0.00 0.00 54.97 54.78 3c0f s GLU 50 Cb -0.09 -5.34 0.04 0.00 0.26 0.00 0.00 34.13 29.01 3c0f s GLU 50 CO 0.56 -2.86 -0.09 0.14 -0.54 0.00 0.00 175.26 172.47 3c0f s VAL 51 N 7.09 1.55 0.04 3.70 -7.23 -1.26 -5.12 120.40 119.17 3c0f s VAL 51 Ca 0.58 -0.97 0.04 0.00 -1.81 0.00 0.00 61.98 59.82 3c0f s VAL 51 Cb -0.00 -1.66 -0.02 0.00 0.56 0.00 0.00 36.38 35.26 3c0f s VAL 51 CO 0.03 0.14 -0.12 -0.31 -0.31 0.00 0.00 175.10 174.53 3c0f s TYR 52 N 1.43 1.04 -1.06 2.82 2.02 -1.26 -4.75 117.35 117.60 3c0f s TYR 52 Ca -0.01 -0.37 -0.06 0.00 -0.37 0.00 0.00 57.07 56.25 3c0f s TYR 52 Cb -0.16 -0.62 0.01 0.00 -0.40 0.00 0.00 41.96 40.79 3c0f s TYR 52 CO -0.08 0.01 0.92 0.00 -1.57 0.00 0.00 175.55 174.83 3c0f n GLY 55 N -0.84 -0.19 3.63 0.00 0.00 -1.26 -4.75 105.19 101.78 3c0f n GLY 55 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 3c0f n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3c0f s GLU 56 N -1.78 4.14 -1.25 1.61 -6.30 -1.26 -4.41 118.70 109.45 3c0f s GLU 56 Ca 0.00 0.74 -0.30 0.00 -2.50 0.00 0.00 54.97 52.91 3c0f s GLU 56 Cb 0.00 -3.65 0.04 0.00 0.00 0.00 0.00 34.13 30.52 3c0f s GLU 56 CO 0.00 -0.47 0.61 1.63 0.02 0.00 0.00 175.26 177.05 3c0f n LYS 57 N 5.87 -0.45 0.26 4.30 5.02 -1.26 -4.78 118.16 127.13 3c0f n LYS 57 Ca 0.02 0.11 0.09 0.00 -2.02 0.00 0.00 58.31 56.52 3c0f n LYS 57 Cb 0.48 -2.80 0.69 0.00 -0.02 0.00 0.00 35.03 33.38 3c0f n LYS 57 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3c0f h PRO 58 N -2.49 0.00 -0.18 1.97 0.13 -1.86 -1.22 132.00 128.36 3c0f h PRO 58 Ca -0.71 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.36 3c0f h PRO 58 Cb 1.40 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.52 3c0f h PRO 58 CO 0.54 0.02 -0.20 0.11 -0.23 0.00 0.00 178.00 178.24 3c0f h TRP 59 N 0.00 0.33 0.04 1.56 0.09 -1.89 -0.31 115.95 115.77 3c0f h TRP 59 Ca -0.00 -0.05 -0.15 0.00 0.09 0.00 0.00 58.89 58.78 3c0f h TRP 59 Cb 0.03 -0.09 0.01 0.00 0.08 0.00 0.00 29.16 29.20 3c0f h TRP 59 CO 0.00 0.50 -0.59 1.49 0.09 0.00 0.00 178.44 179.92 3c0f h GLU 60 N 0.28 0.34 -0.43 0.12 4.81 -1.60 -2.76 114.58 115.35 3c0f h GLU 60 Ca 0.05 -0.41 0.04 0.00 -0.13 0.00 0.00 59.36 58.91 3c0f h GLU 60 Cb 0.52 0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.98 3c0f h GLU 60 CO 0.03 1.11 0.18 0.28 -0.73 0.00 0.00 179.01 179.89 3c0f h VAL 61 N -0.25 0.91 -0.25 0.32 2.07 -1.34 -0.03 116.25 117.69 3c0f h VAL 61 Ca -0.08 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.37 3c0f h VAL 61 Cb 1.35 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 31.58 3c0f h VAL 61 CO 0.12 0.07 -0.12 0.22 0.02 0.00 0.00 177.57 177.87 3c0f h TYR 62 N 0.37 -0.29 -0.33 1.57 3.20 -1.13 -1.26 116.97 119.10 3c0f h TYR 62 Ca 0.19 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 3c0f h TYR 62 Cb 0.15 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 3c0f h TYR 62 CO -0.13 -0.19 0.13 0.00 -1.64 0.00 0.00 178.16 176.34 3c0f h ALA 63 N 1.12 0.43 -0.44 1.82 0.00 -1.15 -2.82 119.26 118.22 3c0f h ALA 63 Ca 0.13 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3c0f h ALA 63 Cb 0.29 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3c0f h ALA 63 CO -0.31 0.03 0.09 0.00 0.00 0.00 0.00 179.25 179.06 3c0f h ASN 65 N 0.64 0.00 -0.45 0.00 2.35 -1.10 -2.63 115.58 114.39 3c0f h ASN 65 Ca 0.14 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.83 3c0f h ASN 65 Cb 0.26 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 3c0f h ASN 65 CO -0.00 0.00 0.05 0.54 -1.65 0.00 0.00 177.43 176.37 3c0f n ARG 66 N -2.57 3.52 -2.10 0.81 5.12 -0.17 -4.96 116.66 116.31 3c0f n ARG 66 Ca 0.01 -3.01 -0.05 0.00 -1.93 0.00 0.00 57.85 52.87 3c0f n ARG 66 Cb 0.23 -2.03 -0.00 0.00 -1.16 0.00 0.00 32.46 29.49 3c0f n ARG 66 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3c0f n GLY 67 N -0.20 0.17 3.69 -0.13 0.00 -0.99 -4.89 105.19 102.85 3c0f n GLY 67 Ca 0.28 -0.68 -0.44 0.00 0.00 0.00 0.00 46.02 45.19 3c0f n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3c0f n ALA 68 N -1.26 1.57 -0.68 4.61 0.00 -0.78 -4.61 120.51 119.37 3c0f n ALA 68 Ca -0.06 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3c0f n ALA 68 Cb 0.54 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.66 3c0f n ALA 68 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3c0f n ASN 69 N 2.20 0.41 -2.03 0.00 0.23 -0.12 -4.84 115.26 111.11 3c0f n ASN 69 Ca 0.11 -1.09 -0.08 0.00 -0.53 0.00 0.00 54.58 52.99 3c0f n ASN 69 Cb 0.33 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.01 3c0f n ASN 69 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 3c0f n LEU 70 N -0.05 0.00 0.00 -4.53 7.94 -0.96 -3.49 117.00 115.91 3c0f n LEU 70 Ca 0.00 -1.48 0.00 0.00 -1.11 0.00 0.00 56.01 53.42 3c0f n LEU 70 Cb 0.24 1.33 0.00 0.00 0.53 0.00 0.00 43.42 45.52 3c0f n LEU 70 CO 0.00 -0.34 0.00 -0.38 -1.11 0.00 0.00 177.39 175.56 3c0f n ILE 72 N -0.30 0.00 -3.95 1.96 5.41 0.30 -0.85 119.36 121.92 3c0f n ILE 72 Ca 0.00 0.00 -0.36 0.00 1.00 0.00 0.00 62.75 63.39 3c0f n ILE 72 Cb 0.30 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 39.16 3c0f n ILE 72 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 3c0f s SER 73 N 0.00 6.05 -0.22 4.38 0.01 0.42 -0.01 113.70 124.32 3c0f s SER 73 Ca 0.00 0.31 -0.01 0.00 1.31 0.00 0.00 55.95 57.57 3c0f s SER 73 Cb 0.00 -1.96 0.06 0.00 0.21 0.00 0.00 66.02 64.33 3c0f s SER 73 CO 0.00 0.33 -0.02 -0.69 0.41 0.00 0.00 173.24 173.27 3c0f s VAL 74 N -0.53 1.15 0.00 3.43 1.01 0.12 0.22 120.40 125.79 3c0f s VAL 74 Ca 0.12 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.10 3c0f s VAL 74 Cb -0.12 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.74 3c0f s VAL 74 CO 0.02 -0.16 0.00 0.59 0.00 0.00 0.00 175.10 175.55 3c0f n ASN 75 N 4.81 0.00 0.00 3.32 4.13 -0.33 -1.13 115.26 126.06 3c0f n ASN 75 Ca -0.10 0.00 0.13 0.00 1.68 0.00 0.00 54.58 56.29 3c0f n ASN 75 Cb 0.45 0.00 0.63 0.00 -1.54 0.00 0.00 39.78 39.32 3c0f n ASN 75 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3c0f n GLN 76 N 11.75 0.23 -3.80 3.52 0.00 -1.26 -4.84 117.38 122.98 3c0f n GLN 76 Ca 0.00 0.04 -0.36 0.00 0.00 0.00 0.00 57.00 56.68 3c0f n GLN 76 Cb 0.00 -1.50 -0.06 0.00 0.00 0.00 0.00 30.24 28.68 3c0f n GLN 76 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 3c0f s PHE 77 N -2.74 3.61 -0.09 2.61 0.08 -0.28 -0.59 117.98 120.58 3c0f s PHE 77 Ca 0.20 0.59 0.04 0.00 0.12 0.00 0.00 56.93 57.89 3c0f s PHE 77 Cb 0.18 -1.99 -0.00 0.00 -0.57 0.00 0.00 43.02 40.63 3c0f s PHE 77 CO 0.44 0.69 -0.23 -1.21 -0.10 0.00 0.00 175.22 174.80 3c0f s GLU 78 N -1.26 2.83 -0.10 0.44 8.01 0.07 -0.71 118.70 127.97 3c0f s GLU 78 Ca 0.20 -0.85 0.03 0.00 0.01 0.00 0.00 54.97 54.36 3c0f s GLU 78 Cb -0.13 -2.20 -0.00 0.00 -4.31 0.00 0.00 34.13 27.49 3c0f s GLU 78 CO 0.09 0.22 -0.23 -0.06 0.01 0.00 0.00 175.26 175.29 3c0f s PHE 79 N 0.24 2.59 -0.25 1.61 0.08 0.98 -1.28 117.98 121.95 3c0f s PHE 79 Ca -0.15 -1.00 -0.05 0.00 0.12 0.00 0.00 56.93 55.86 3c0f s PHE 79 Cb -0.17 -1.73 -0.00 0.00 -0.57 0.00 0.00 43.02 40.56 3c0f s PHE 79 CO 0.07 -0.39 0.01 0.71 -0.10 0.00 0.00 175.22 175.52 3c0f s TYR 80 N 0.34 3.05 0.02 0.36 2.02 -0.42 -0.54 117.35 122.18 3c0f s TYR 80 Ca -0.18 -0.98 0.04 0.00 -0.37 0.00 0.00 57.07 55.59 3c0f s TYR 80 Cb -0.18 -2.16 -0.03 0.00 -0.40 0.00 0.00 41.96 39.19 3c0f s TYR 80 CO 0.09 -0.56 -0.08 -0.06 -1.57 0.00 0.00 175.55 173.37 3c0f s PHE 81 N 1.48 2.84 -0.44 2.71 0.08 -0.03 -0.45 117.98 124.17 3c0f s PHE 81 Ca 0.04 -0.07 -0.16 0.00 0.12 0.00 0.00 56.93 56.86 3c0f s PHE 81 Cb -0.16 -1.57 0.04 0.00 -0.57 0.00 0.00 43.02 40.76 3c0f s PHE 81 CO -0.01 0.37 0.39 0.50 -0.10 0.00 0.00 175.22 176.37 3c0f s ARG 82 N -1.56 3.02 -0.33 0.44 3.52 -0.16 -0.95 118.95 122.93 3c0f s ARG 82 Ca 0.18 -1.03 -0.27 0.00 -0.13 0.00 0.00 55.73 54.48 3c0f s ARG 82 Cb -0.11 -4.03 0.01 0.00 -1.56 0.00 0.00 34.95 29.26 3c0f s ARG 82 CO 0.09 -0.89 0.97 0.42 -0.81 0.00 0.00 175.30 175.08 3c0f s ILE 83 N 1.87 4.58 -0.14 4.11 -1.09 -1.26 -1.34 121.20 127.93 3c0f s ILE 83 Ca 0.07 1.45 -0.08 0.00 -2.23 0.00 0.00 60.65 59.87 3c0f s ILE 83 Cb -0.20 -4.34 -0.04 0.00 -1.58 0.00 0.00 42.46 36.30 3c0f s ILE 83 CO 0.10 -0.46 0.13 -1.61 -1.23 0.00 0.00 174.94 171.87 3c0f s GLU 84 N 3.48 3.63 0.28 2.79 2.02 0.16 -4.89 118.70 126.17 3c0f s GLU 84 Ca 0.41 -0.17 0.11 0.00 0.02 0.00 0.00 54.97 55.33 3c0f s GLU 84 Cb -0.12 -3.24 -0.05 0.00 0.10 0.00 0.00 34.13 30.82 3c0f s GLU 84 CO 0.16 0.64 -0.16 0.14 0.02 0.00 0.00 175.26 176.06 3c0f s VAL 85 N -0.63 2.29 0.29 2.63 -7.23 -1.26 -0.35 120.40 116.14 3c0f s VAL 85 Ca 0.13 -2.32 0.03 0.00 -1.81 0.00 0.00 61.98 58.01 3c0f s VAL 85 Cb -0.12 -2.35 0.07 0.00 0.56 0.00 0.00 36.38 34.54 3c0f s VAL 85 CO 0.02 -0.37 1.74 -0.33 -0.31 0.00 0.00 175.10 175.84 3c0f h GLU 86 N 2.25 0.43 0.00 4.82 5.08 -1.99 -3.50 114.58 121.68 3c0f h GLU 86 Ca -0.40 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 3c0f h GLU 86 Cb 1.25 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3c0f h GLU 86 CO 0.63 0.66 0.00 0.41 -1.00 0.00 0.00 179.01 179.71