#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j7c s THR 2 N 0.00 1.13 0.03 0.00 2.01 -1.26 -1.61 115.64 115.93 1j7c s THR 2 Ca 0.00 -0.44 0.03 0.00 0.31 0.00 0.00 61.69 61.59 1j7c s THR 2 Cb 0.00 -1.06 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 1j7c s THR 2 CO 0.00 0.36 -0.01 -0.36 -0.69 0.00 0.00 174.62 173.92 1j7c s PHE 3 N 0.93 3.02 0.01 4.92 0.08 0.74 -4.88 117.98 122.80 1j7c s PHE 3 Ca -0.09 0.03 -0.26 0.00 0.12 0.00 0.00 56.93 56.72 1j7c s PHE 3 Cb -0.15 -1.62 -0.04 0.00 -0.57 0.00 0.00 43.02 40.64 1j7c s PHE 3 CO 0.00 0.45 0.82 0.21 -0.10 0.00 0.00 175.22 176.61 1j7c s LYS 4 N -1.77 4.52 -0.15 0.44 2.20 -1.26 -0.60 119.74 123.11 1j7c s LYS 4 Ca 0.21 1.14 0.01 0.00 -0.36 0.00 0.00 55.97 56.97 1j7c s LYS 4 Cb -0.11 -3.41 0.02 0.00 -1.51 0.00 0.00 37.83 32.82 1j7c s LYS 4 CO 0.12 0.14 -0.16 0.08 -0.36 0.00 0.00 175.35 175.17 1j7c s VAL 5 N 0.42 1.68 -0.24 4.02 1.01 -0.03 -0.96 120.40 126.31 1j7c s VAL 5 Ca 0.42 -0.72 -0.09 0.00 0.00 0.00 0.00 61.98 61.59 1j7c s VAL 5 Cb -0.20 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1j7c s VAL 5 CO 0.24 0.48 0.13 -0.89 0.00 0.00 0.00 175.10 175.05 1j7c s THR 6 N 1.31 4.97 -0.25 3.92 2.01 0.14 -1.16 115.64 126.58 1j7c s THR 6 Ca 0.02 0.05 -0.09 0.00 0.31 0.00 0.00 61.69 61.97 1j7c s THR 6 Cb -0.13 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 1j7c s THR 6 CO -0.09 0.34 0.14 -0.76 -0.69 0.00 0.00 174.62 173.56 1j7c s LEU 7 N 1.28 3.87 -0.15 4.42 1.43 0.10 -0.91 118.68 128.73 1j7c s LEU 7 Ca 0.06 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 1j7c s LEU 7 Cb -0.14 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.03 1j7c s LEU 7 CO 0.05 0.01 -0.18 -0.63 0.23 0.00 0.00 176.35 175.83 1j7c s ILE 8 N 1.38 2.40 -0.47 -0.59 1.01 0.15 -1.27 121.20 123.81 1j7c s ILE 8 Ca 0.06 -0.86 -0.08 0.00 0.00 0.00 0.00 60.65 59.77 1j7c s ILE 8 Cb -0.15 -1.99 0.12 0.00 0.01 0.00 0.00 42.46 40.45 1j7c s ILE 8 CO 0.06 0.53 0.33 0.21 0.00 0.00 0.00 174.94 176.07 1j7c s ASN 9 N 0.78 5.61 0.15 3.58 3.84 -0.48 -0.89 114.94 127.53 1j7c s ASN 9 Ca -0.07 -1.99 -0.16 0.00 0.21 0.00 0.00 52.86 50.86 1j7c s ASN 9 Cb -0.16 -1.97 0.04 0.00 -0.55 0.00 0.00 41.25 38.62 1j7c s ASN 9 CO -0.00 -0.65 1.78 -0.33 -2.79 0.00 0.00 177.10 175.11 1j7c h GLU 10 N 8.31 0.38 0.00 0.43 5.08 -1.84 0.72 114.58 127.66 1j7c h GLU 10 Ca -0.18 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.12 1j7c h GLU 10 Cb 1.06 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 1j7c h GLU 10 CO 0.82 0.25 -0.16 0.00 -1.00 0.00 0.00 179.01 178.92 1j7c h ALA 11 N 1.19 1.66 0.00 3.43 0.00 -1.94 -2.67 119.26 120.94 1j7c h ALA 11 Ca 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1j7c h ALA 11 Cb 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1j7c h ALA 11 CO -0.10 0.20 -1.36 0.39 0.00 0.00 0.00 179.25 178.38 1j7c n GLU 12 N -4.24 0.26 -3.08 0.00 1.02 -0.98 -4.98 120.64 108.64 1j7c n GLU 12 Ca -0.02 -0.07 -0.15 0.00 -0.02 0.00 0.00 57.16 56.89 1j7c n GLU 12 Cb 0.23 -1.51 0.04 0.00 -0.02 0.00 0.00 31.44 30.18 1j7c n GLU 12 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j7c n GLY 13 N 1.40 -0.04 3.64 0.62 0.00 0.25 -5.01 105.19 106.05 1j7c n GLY 13 Ca 0.01 -0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 1j7c n GLY 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j7c s THR 14 N -3.13 3.65 -0.06 2.61 -4.23 -0.74 -4.98 115.64 108.76 1j7c s THR 14 Ca 0.33 -1.39 -0.02 0.00 -1.18 0.00 0.00 61.69 59.43 1j7c s THR 14 Cb -0.15 -2.81 0.03 0.00 1.34 0.00 0.00 72.50 70.92 1j7c s THR 14 CO 0.41 -0.06 0.06 -0.75 -0.54 0.00 0.00 174.62 173.74 1j7c s LYS 15 N -2.78 -0.04 -0.02 3.99 2.20 -1.26 -1.38 119.74 120.46 1j7c s LYS 15 Ca 0.26 0.31 0.05 0.00 -0.36 0.00 0.00 55.97 56.23 1j7c s LYS 15 Cb -0.10 -0.69 -0.01 0.00 -1.51 0.00 0.00 37.83 35.52 1j7c s LYS 15 CO 0.18 -0.37 -0.16 -1.01 -0.36 0.00 0.00 175.35 173.62 1j7c s HIS 16 N 2.16 1.47 -0.10 4.03 3.76 -0.39 -4.97 115.29 121.24 1j7c s HIS 16 Ca 0.05 -0.30 -0.01 0.00 -0.15 0.00 0.00 55.06 54.64 1j7c s HIS 16 Cb -0.13 -0.95 -0.03 0.00 1.11 0.00 0.00 32.58 32.58 1j7c s HIS 16 CO -0.04 -0.05 -0.06 -1.21 -0.85 0.00 0.00 174.74 172.53 1j7c s GLU 17 N -0.29 3.11 0.18 1.40 2.02 -1.26 0.03 118.70 123.89 1j7c s GLU 17 Ca 0.04 -0.55 0.04 0.00 0.02 0.00 0.00 54.97 54.52 1j7c s GLU 17 Cb -0.07 -2.70 -0.05 0.00 0.10 0.00 0.00 34.13 31.41 1j7c s GLU 17 CO -0.00 0.49 -0.07 0.96 0.02 0.00 0.00 175.26 176.66 1j7c s ILE 18 N -0.33 1.13 -0.16 -1.63 -4.36 -0.31 -4.99 121.20 110.54 1j7c s ILE 18 Ca 0.05 -2.05 -0.01 0.00 -0.26 0.00 0.00 60.65 58.37 1j7c s ILE 18 Cb -0.12 -2.02 -0.01 0.00 1.25 0.00 0.00 42.46 41.56 1j7c s ILE 18 CO 0.02 -0.60 -0.12 -1.61 0.24 0.00 0.00 174.94 172.87 1j7c s GLU 19 N -3.79 3.29 -0.12 0.37 0.41 -1.26 -0.85 118.70 116.75 1j7c s GLU 19 Ca 0.21 -0.70 0.02 0.00 -0.41 0.00 0.00 54.97 54.08 1j7c s GLU 19 Cb 0.04 -2.71 0.01 0.00 -1.78 0.00 0.00 34.13 29.68 1j7c s GLU 19 CO 0.03 0.01 -0.17 0.08 -0.49 0.00 0.00 175.26 174.72 1j7c s VAL 20 N 0.85 1.70 0.47 2.63 1.01 0.23 -4.94 120.40 122.35 1j7c s VAL 20 Ca -0.04 -0.76 -0.24 0.00 0.00 0.00 0.00 61.98 60.94 1j7c s VAL 20 Cb -0.15 -1.54 -0.07 0.00 0.00 0.00 0.00 36.38 34.62 1j7c s VAL 20 CO -0.00 0.48 1.33 -2.84 0.00 0.00 0.00 175.10 174.07 1j7c s PRO 21 N 0.99 3.61 0.18 2.72 0.02 -1.26 -0.19 135.00 141.07 1j7c s PRO 21 Ca -0.05 2.18 0.11 0.00 0.02 0.00 0.00 61.00 63.26 1j7c s PRO 21 Cb -0.15 -2.52 0.60 0.00 0.02 0.00 0.00 34.50 32.45 1j7c s PRO 21 CO -0.03 -0.79 1.32 -0.40 -0.33 0.00 0.00 177.00 176.77 1j7c n ASP 22 N -0.40 0.29 -0.30 2.53 5.68 -0.64 -1.42 116.55 122.30 1j7c n ASP 22 Ca 0.07 0.61 0.09 0.00 -0.50 0.00 0.00 54.79 55.06 1j7c n ASP 22 Cb 0.44 -0.64 0.17 0.00 -1.14 0.00 0.00 41.12 39.95 1j7c n ASP 22 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1j7c n ASP 23 N -1.88 2.54 -4.24 -1.12 5.75 -1.26 -4.73 116.55 111.61 1j7c n ASP 23 Ca -0.01 -3.19 -0.27 0.00 -0.01 0.00 0.00 54.79 51.31 1j7c n ASP 23 Cb 0.06 -0.47 -0.15 0.00 -1.03 0.00 0.00 41.12 39.53 1j7c n ASP 23 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1j7c s GLU 24 N -2.92 1.70 0.47 0.11 2.12 -0.51 -5.11 118.70 114.55 1j7c s GLU 24 Ca 0.35 -0.80 -0.22 0.00 0.36 0.00 0.00 54.97 54.66 1j7c s GLU 24 Cb 0.30 -1.67 -0.08 0.00 0.26 0.00 0.00 34.13 32.95 1j7c s GLU 24 CO 0.03 0.45 1.11 0.71 -0.54 0.00 0.00 175.26 177.02 1j7c s TYR 25 N -0.55 2.95 0.24 5.30 2.02 -1.26 -4.51 117.35 121.53 1j7c s TYR 25 Ca 0.08 1.57 -0.05 0.00 -0.37 0.00 0.00 57.07 58.30 1j7c s TYR 25 Cb -0.08 -3.25 0.36 0.00 -0.40 0.00 0.00 41.96 38.58 1j7c s TYR 25 CO -0.00 -1.20 1.81 0.82 -1.57 0.00 0.00 175.55 175.41 1j7c h ILE 26 N 1.76 0.93 -0.66 2.71 2.04 -0.84 -2.38 117.51 121.08 1j7c h ILE 26 Ca -0.49 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.11 1j7c h ILE 26 Cb 1.24 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1j7c h ILE 26 CO 0.60 0.14 0.43 0.25 0.00 0.00 0.00 178.15 179.57 1j7c h LEU 27 N 0.77 0.74 -0.50 1.44 5.85 -1.71 -0.19 115.31 121.72 1j7c h LEU 27 Ca 0.37 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.06 1j7c h LEU 27 Cb 0.31 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1j7c h LEU 27 CO -0.23 0.54 0.26 0.44 -0.34 0.00 0.00 178.44 179.10 1j7c h ASP 28 N 0.88 0.64 -0.81 1.25 3.32 -1.73 -1.89 116.42 118.08 1j7c h ASP 28 Ca 0.24 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 1j7c h ASP 28 Cb -0.09 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.26 1j7c h ASP 28 CO -0.06 0.57 0.35 0.00 -1.72 0.00 0.00 179.24 178.37 1j7c h ALA 29 N 1.10 1.05 -0.03 3.45 0.00 -1.12 -1.79 119.26 121.92 1j7c h ALA 29 Ca 0.17 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1j7c h ALA 29 Cb 0.08 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1j7c h ALA 29 CO -0.03 0.66 -0.02 0.00 0.00 0.00 0.00 179.25 179.86 1j7c h ALA 30 N 1.18 -0.00 -0.13 0.00 0.00 -0.71 -1.24 119.26 118.37 1j7c h ALA 30 Ca 0.27 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.21 1j7c h ALA 30 Cb 0.19 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1j7c h ALA 30 CO -0.03 -0.51 0.01 0.93 0.00 0.00 0.00 179.25 179.65 1j7c h GLU 31 N -0.03 0.06 -0.82 0.00 5.08 -1.15 0.14 114.58 117.87 1j7c h GLU 31 Ca 0.02 -0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.53 1j7c h GLU 31 Cb 0.06 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.24 1j7c h GLU 31 CO -0.04 0.04 0.54 0.93 -1.00 0.00 0.00 179.01 179.47 1j7c h GLU 32 N 0.06 0.50 -0.16 2.33 5.08 -1.14 0.88 114.58 122.13 1j7c h GLU 32 Ca 0.06 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1j7c h GLU 32 Cb 0.06 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1j7c h GLU 32 CO -0.08 0.33 0.00 1.04 -1.00 0.00 0.00 179.01 179.30 1j7c n GLN 33 N -4.51 1.53 -0.04 2.33 6.02 -0.48 -4.90 117.38 117.32 1j7c n GLN 33 Ca 0.16 -0.80 0.00 0.00 -0.01 0.00 0.00 57.00 56.35 1j7c n GLN 33 Cb 0.52 -1.30 0.00 0.00 1.02 0.00 0.00 30.24 30.48 1j7c n GLN 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1j7c n GLY 34 N 0.97 0.89 3.14 1.08 0.00 0.30 -5.05 105.19 106.53 1j7c n GLY 34 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1j7c n GLY 34 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j7c s TYR 35 N -2.02 3.29 0.11 1.61 2.02 0.44 -4.98 117.35 117.81 1j7c s TYR 35 Ca 0.00 -2.02 -0.29 0.00 -0.37 0.00 0.00 57.07 54.39 1j7c s TYR 35 Cb 0.00 -2.11 -0.06 0.00 -0.40 0.00 0.00 41.96 39.39 1j7c s TYR 35 CO 0.00 -0.83 0.93 -0.51 -1.57 0.00 0.00 175.55 173.57 1j7c s ASP 36 N 1.23 7.47 0.19 2.29 1.01 -1.26 -3.06 116.67 124.53 1j7c s ASP 36 Ca -0.05 1.76 0.09 0.00 0.71 0.00 0.00 52.55 55.05 1j7c s ASP 36 Cb -0.20 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.11 1j7c s ASP 36 CO -0.02 -0.04 -0.18 -0.76 0.21 0.00 0.00 175.17 174.37 1j7c s LEU 37 N -0.08 2.48 0.41 1.23 1.43 -1.26 -5.05 118.68 117.84 1j7c s LEU 37 Ca 0.45 -0.91 -0.26 0.00 -1.03 0.00 0.00 54.13 52.38 1j7c s LEU 37 Cb -0.23 -0.86 -0.09 0.00 0.03 0.00 0.00 46.19 45.04 1j7c s LEU 37 CO 0.29 -0.04 1.33 -2.16 0.23 0.00 0.00 176.35 176.00 1j7c s PRO 38 N -3.04 3.92 0.13 1.29 0.04 -1.26 -5.02 135.00 131.06 1j7c s PRO 38 Ca 0.19 2.22 -0.25 0.00 0.04 0.00 0.00 61.00 63.20 1j7c s PRO 38 Cb -0.05 -2.75 0.07 0.00 0.04 0.00 0.00 34.50 31.81 1j7c s PRO 38 CO 0.08 -0.55 0.81 -0.59 0.04 0.00 0.00 177.00 176.79 1j7c s PHE 39 N -1.24 -0.30 0.00 0.56 -0.71 -1.26 -3.85 117.98 111.17 1j7c s PHE 39 Ca 0.57 0.05 0.00 0.00 -1.04 0.00 0.00 56.93 56.51 1j7c s PHE 39 Cb -0.39 0.60 0.00 0.00 -1.21 0.00 0.00 43.02 42.02 1j7c s PHE 39 CO 0.51 -0.81 0.00 0.45 -1.34 0.00 0.00 175.22 174.02 1j7c n SER 40 N -0.38 0.00 -0.10 1.98 2.88 -1.26 -4.93 113.62 111.80 1j7c n SER 40 Ca -0.09 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.41 1j7c n SER 40 Cb 0.62 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 64.25 1j7c n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j7c n ARG 42 N -4.22 -1.57 -0.17 0.00 1.74 -1.26 -4.83 116.66 106.35 1j7c n ARG 42 Ca 0.03 1.09 0.03 0.00 -0.77 0.00 0.00 57.85 58.23 1j7c n ARG 42 Cb 0.29 -5.59 0.04 0.00 -1.02 0.00 0.00 32.46 26.18 1j7c n ARG 42 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1j7c n ALA 43 N -0.12 1.84 -1.00 7.54 0.00 -1.26 -4.92 120.51 122.59 1j7c n ALA 43 Ca -0.22 -1.33 -0.00 0.00 0.00 0.00 0.00 53.44 51.90 1j7c n ALA 43 Cb 0.67 -0.25 -0.00 0.00 0.00 0.00 0.00 19.45 19.86 1j7c n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j7c n GLY 44 N -0.49 0.47 0.58 0.00 0.00 -1.26 -4.80 105.19 99.69 1j7c n GLY 44 Ca 0.04 -0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.00 1j7c n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j7c n ALA 45 N 1.00 3.34 -3.26 4.61 0.00 -1.26 -1.02 120.51 123.92 1j7c n ALA 45 Ca -0.00 -3.10 -0.03 0.00 0.00 0.00 0.00 53.44 50.31 1j7c n ALA 45 Cb 0.03 -0.39 -0.00 0.00 0.00 0.00 0.00 19.45 19.09 1j7c n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j7c n SER 47 N -1.79 1.59 -0.36 0.00 3.41 -1.26 -4.77 113.62 110.44 1j7c n SER 47 Ca -0.00 -1.48 0.07 0.00 -0.26 0.00 0.00 58.87 57.19 1j7c n SER 47 Cb 0.16 -0.02 0.24 0.00 -0.26 0.00 0.00 64.21 64.33 1j7c n SER 47 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1j7c h THR 48 N 0.36 0.94 -0.41 6.66 2.02 -1.95 -2.18 112.91 118.34 1j7c h THR 48 Ca 0.00 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.83 1j7c h THR 48 Cb 0.28 -0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.52 1j7c h THR 48 CO 0.00 0.19 0.00 0.00 0.37 0.00 0.00 175.52 176.08 1j7c n ALA 50 N 0.67 1.56 -2.30 0.00 0.00 -0.82 -3.01 120.51 116.61 1j7c n ALA 50 Ca 0.15 0.36 -0.16 0.00 0.00 0.00 0.00 53.44 53.78 1j7c n ALA 50 Cb 0.45 -2.30 -0.10 0.00 0.00 0.00 0.00 19.45 17.50 1j7c n ALA 50 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1j7c s GLY 51 N -0.24 1.77 -0.07 0.00 0.00 0.10 -1.38 107.32 107.50 1j7c s GLY 51 Ca 0.55 -1.80 0.00 0.00 0.00 0.00 0.00 44.72 43.47 1j7c s GLY 51 CO 0.62 -1.55 -0.05 1.25 0.00 0.00 0.00 173.10 173.38 1j7c s LYS 52 N -4.00 0.98 0.25 2.90 2.20 0.20 -1.32 119.74 120.95 1j7c s LYS 52 Ca 0.38 -0.10 -0.30 0.00 -0.36 0.00 0.00 55.97 55.58 1j7c s LYS 52 Cb 0.07 -1.06 -0.10 0.00 -1.51 0.00 0.00 37.83 35.23 1j7c s LYS 52 CO 0.14 -0.16 1.37 -0.51 -0.36 0.00 0.00 175.35 175.84 1j7c s LEU 53 N 1.30 4.40 -0.28 5.43 1.43 0.32 -0.31 118.68 130.98 1j7c s LEU 53 Ca -0.04 2.59 -0.12 0.00 -1.03 0.00 0.00 54.13 55.53 1j7c s LEU 53 Cb -0.14 -3.62 -0.13 0.00 0.03 0.00 0.00 46.19 42.33 1j7c s LEU 53 CO -0.02 -0.61 -0.34 0.52 0.23 0.00 0.00 176.35 176.12 1j7c n VAL 54 N 2.09 1.52 -3.52 -1.59 0.31 0.13 -4.90 118.33 112.37 1j7c n VAL 54 Ca 0.05 -0.41 -0.12 0.00 -0.01 0.00 0.00 64.34 63.85 1j7c n VAL 54 Cb 0.41 -1.82 -0.04 0.00 -0.91 0.00 0.00 33.84 31.48 1j7c n VAL 54 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1j7c s SER 55 N -7.39 -0.45 0.00 4.52 1.04 -0.98 -4.95 113.70 105.50 1j7c s SER 55 Ca -0.38 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.03 1j7c s SER 55 Cb 0.14 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.80 1j7c s SER 55 CO 0.50 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.47 1j7c n GLY 56 N -0.09 0.57 3.27 7.32 0.00 -1.26 -0.39 105.19 114.62 1j7c n GLY 56 Ca -0.17 -2.07 -0.17 0.00 0.00 0.00 0.00 46.02 43.61 1j7c n GLY 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j7c s THR 57 N -1.25 1.40 0.14 2.61 -4.23 -1.26 -4.95 115.64 108.10 1j7c s THR 57 Ca 0.00 -1.96 0.01 0.00 -1.18 0.00 0.00 61.69 58.56 1j7c s THR 57 Cb 0.00 -1.77 -0.04 0.00 1.34 0.00 0.00 72.50 72.03 1j7c s THR 57 CO 0.00 -0.56 0.02 0.68 -0.54 0.00 0.00 174.62 174.21 1j7c s VAL 58 N -2.72 0.43 -0.26 2.29 -7.23 -1.26 -1.06 120.40 110.59 1j7c s VAL 58 Ca 0.15 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.38 1j7c s VAL 58 Cb -0.02 -2.02 0.04 0.00 0.56 0.00 0.00 36.38 34.95 1j7c s VAL 58 CO 0.03 -0.53 -0.08 -0.62 -0.31 0.00 0.00 175.10 173.59 1j7c s ASP 59 N -3.10 4.38 -0.18 4.85 2.15 0.64 -4.82 116.67 120.59 1j7c s ASP 59 Ca 0.22 -1.12 0.14 0.00 0.43 0.00 0.00 52.55 52.22 1j7c s ASP 59 Cb 0.07 -1.62 0.43 0.00 -0.30 0.00 0.00 42.92 41.50 1j7c s ASP 59 CO 0.02 -0.17 1.20 0.00 -0.17 0.00 0.00 175.17 176.05 1j7c n GLN 60 N 4.57 1.54 -0.41 4.34 10.64 -1.26 -1.20 117.38 135.60 1j7c n GLN 60 Ca -0.15 -3.17 0.39 0.00 -1.83 0.00 0.00 57.00 52.25 1j7c n GLN 60 Cb 0.45 -1.38 0.74 0.00 -0.86 0.00 0.00 30.24 29.19 1j7c n GLN 60 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1j7c h SER 61 N 1.22 0.00 0.83 2.61 4.64 -1.92 0.31 113.55 121.23 1j7c h SER 61 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j7c h SER 61 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1j7c h SER 61 CO 0.13 0.00 -0.01 0.47 -0.87 0.00 0.00 176.83 176.54 1j7c n ASP 62 N -3.97 0.02 -4.80 4.97 8.00 -1.26 -4.88 116.55 114.63 1j7c n ASP 62 Ca 0.30 0.24 -0.32 0.00 0.71 0.00 0.00 54.79 55.72 1j7c n ASP 62 Cb 1.48 -0.40 0.04 0.00 -0.02 0.00 0.00 41.12 42.22 1j7c n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j7c s GLN 63 N -2.84 3.03 0.00 -1.24 1.03 0.11 -4.79 119.66 114.95 1j7c s GLN 63 Ca 0.19 1.12 0.00 0.00 0.04 0.00 0.00 55.36 56.71 1j7c s GLN 63 Cb 0.19 -2.00 0.00 0.00 0.03 0.00 0.00 33.01 31.24 1j7c s GLN 63 CO 0.51 -1.04 0.00 -1.13 -2.54 0.00 0.00 175.29 171.09 1j7c n SER 64 N -2.62 0.06 -0.01 12.60 3.41 -0.18 -4.92 113.62 121.95 1j7c n SER 64 Ca 0.08 -0.06 -0.17 0.00 -0.26 0.00 0.00 58.87 58.47 1j7c n SER 64 Cb 0.53 0.13 -0.14 0.00 -0.26 0.00 0.00 64.21 64.47 1j7c n SER 64 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1j7c h PHE 65 N 0.00 0.30 -3.91 7.33 3.57 -1.76 -3.47 116.94 119.01 1j7c h PHE 65 Ca 0.00 -0.21 -0.52 0.00 3.53 0.00 0.00 57.97 60.77 1j7c h PHE 65 Cb 0.00 -0.02 0.07 0.00 2.79 0.00 0.00 35.95 38.79 1j7c h PHE 65 CO 0.00 1.14 0.61 -0.51 -2.23 0.00 0.00 178.31 177.32 1j7c s LEU 66 N -8.10 4.33 0.68 0.59 1.43 -1.26 -5.03 118.68 111.32 1j7c s LEU 66 Ca -0.16 2.62 -0.04 0.00 -1.03 0.00 0.00 54.13 55.51 1j7c s LEU 66 Cb -0.01 -3.78 0.07 0.00 0.03 0.00 0.00 46.19 42.50 1j7c s LEU 66 CO 0.77 -0.64 0.96 1.51 0.23 0.00 0.00 176.35 179.18 1j7c s ASP 67 N -0.67 4.79 0.34 2.29 1.47 -1.26 -4.90 116.67 118.73 1j7c s ASP 67 Ca 0.52 0.22 0.02 0.00 1.18 0.00 0.00 52.55 54.50 1j7c s ASP 67 Cb -0.38 -0.86 0.62 0.00 -0.34 0.00 0.00 42.92 41.96 1j7c s ASP 67 CO 0.49 -1.57 1.97 0.44 0.68 0.00 0.00 175.17 177.19 1j7c h ASP 68 N -0.47 0.77 -0.45 2.11 3.32 -1.99 -2.04 116.42 117.68 1j7c h ASP 68 Ca -0.43 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.50 1j7c h ASP 68 Cb 1.30 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.66 1j7c h ASP 68 CO 0.54 0.53 -0.13 0.44 -1.72 0.00 0.00 179.24 178.91 1j7c h ASP 69 N 0.89 0.92 -0.66 6.45 3.32 -1.98 -0.47 116.42 124.90 1j7c h ASP 69 Ca 0.29 -0.30 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 1j7c h ASP 69 Cb 0.06 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 1j7c h ASP 69 CO -0.08 1.05 0.10 1.56 -1.72 0.00 0.00 179.24 180.15 1j7c h GLN 70 N 0.82 1.09 -0.67 3.56 4.20 -1.82 0.42 115.11 122.72 1j7c h GLN 70 Ca 0.13 -0.30 -0.05 0.00 0.06 0.00 0.00 58.65 58.49 1j7c h GLN 70 Cb 0.66 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.29 1j7c h GLN 70 CO 0.05 1.01 0.21 0.82 -0.67 0.00 0.00 178.83 180.25 1j7c h ILE 71 N 1.01 1.25 -0.82 2.54 2.04 -1.19 -1.93 117.51 120.40 1j7c h ILE 71 Ca 0.20 -0.86 0.03 0.00 1.00 0.00 0.00 64.86 65.23 1j7c h ILE 71 Cb 0.45 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 1j7c h ILE 71 CO 0.01 0.33 0.54 -0.08 0.00 0.00 0.00 178.15 178.96 1j7c h GLU 72 N 0.97 1.02 0.00 2.37 4.22 -0.47 0.14 114.58 122.82 1j7c h GLU 72 Ca 0.22 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.59 1j7c h GLU 72 Cb 0.29 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1j7c h GLU 72 CO -0.01 0.67 0.00 0.00 -2.18 0.00 0.00 179.01 177.50 1j7c n ALA 73 N -2.41 1.62 0.00 2.92 0.00 0.08 -4.86 120.51 117.87 1j7c n ALA 73 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1j7c n ALA 73 Cb 0.08 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1j7c n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j7c n GLY 74 N -0.10 1.09 3.78 0.00 0.00 0.47 -4.89 105.19 105.54 1j7c n GLY 74 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1j7c n GLY 74 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j7c s TYR 75 N -2.00 3.63 -0.01 1.61 2.02 -0.79 -0.52 117.35 121.28 1j7c s TYR 75 Ca 0.00 1.76 0.00 0.00 -0.37 0.00 0.00 57.07 58.46 1j7c s TYR 75 Cb 0.00 -2.99 0.01 0.00 -0.40 0.00 0.00 41.96 38.58 1j7c s TYR 75 CO 0.00 0.02 0.00 0.08 -1.57 0.00 0.00 175.55 174.08 1j7c s VAL 76 N -1.56 0.02 -0.53 0.71 1.01 -0.44 -4.56 120.40 115.05 1j7c s VAL 76 Ca 0.51 0.03 -0.19 0.00 0.00 0.00 0.00 61.98 62.33 1j7c s VAL 76 Cb -0.21 -0.06 0.07 0.00 0.00 0.00 0.00 36.38 36.19 1j7c s VAL 76 CO 0.26 0.03 0.65 -0.76 0.00 0.00 0.00 175.10 175.28 1j7c s LEU 77 N 0.25 5.07 0.58 3.92 1.43 -1.26 -0.72 118.68 127.94 1j7c s LEU 77 Ca -0.02 -1.05 0.27 0.00 -1.03 0.00 0.00 54.13 52.30 1j7c s LEU 77 Cb -0.03 -2.41 1.63 0.00 0.03 0.00 0.00 46.19 45.41 1j7c s LEU 77 CO -0.01 -0.96 2.12 0.71 0.23 0.00 0.00 176.35 178.45 1j7c h THR 78 N 5.88 0.55 0.00 5.49 1.35 -1.90 -2.36 112.91 121.93 1j7c h THR 78 Ca -0.28 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1j7c h THR 78 Cb 1.09 0.87 -0.00 0.00 -1.73 0.00 0.00 68.15 68.38 1j7c h THR 78 CO 1.00 0.00 -0.00 0.00 -0.25 0.00 0.00 175.52 176.27 1j7c n VAL 80 N -3.09 1.00 -4.37 0.00 0.24 -0.90 -4.80 118.33 106.42 1j7c n VAL 80 Ca -0.00 -1.59 -0.34 0.00 -2.04 0.00 0.00 64.34 60.37 1j7c n VAL 80 Cb 0.26 0.26 -0.12 0.00 -1.47 0.00 0.00 33.84 32.77 1j7c n VAL 80 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1j7c s ALA 81 N -1.50 3.06 -0.09 2.33 0.00 -1.14 -4.49 121.76 119.93 1j7c s ALA 81 Ca 0.26 -0.81 -0.05 0.00 0.00 0.00 0.00 51.96 51.35 1j7c s ALA 81 Cb 0.25 -1.58 -0.04 0.00 0.00 0.00 0.00 23.12 21.76 1j7c s ALA 81 CO -0.05 0.24 0.12 0.71 0.00 0.00 0.00 175.76 176.78 1j7c s TYR 82 N 0.27 3.51 0.32 0.00 2.02 -0.34 -0.45 117.35 122.67 1j7c s TYR 82 Ca -0.02 0.43 -0.22 0.00 -0.37 0.00 0.00 57.07 56.89 1j7c s TYR 82 Cb -0.14 -1.88 -0.10 0.00 -0.40 0.00 0.00 41.96 39.44 1j7c s TYR 82 CO 0.03 0.67 0.85 -1.25 -1.57 0.00 0.00 175.55 174.28 1j7c s PRO 83 N -1.22 4.33 0.00 -1.71 0.04 -1.26 -0.26 135.00 134.92 1j7c s PRO 83 Ca 0.18 1.06 0.01 0.00 0.04 0.00 0.00 61.00 62.28 1j7c s PRO 83 Cb -0.12 -2.64 0.02 0.00 0.04 0.00 0.00 34.50 31.80 1j7c s PRO 83 CO 0.07 0.23 0.91 0.25 0.04 0.00 0.00 177.00 178.50 1j7c n THR 84 N 0.21 0.78 -3.93 1.26 -2.24 -0.23 -4.74 114.28 105.39 1j7c n THR 84 Ca 0.02 -0.89 -0.00 0.00 -2.27 0.00 0.00 64.05 60.91 1j7c n THR 84 Cb 0.52 0.62 0.02 0.00 -2.10 0.00 0.00 70.33 69.38 1j7c n THR 84 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1j7c s SER 85 N -0.79 0.00 0.44 3.42 1.04 -1.24 -4.87 113.70 111.70 1j7c s SER 85 Ca 0.02 -0.44 -0.24 0.00 0.48 0.00 0.00 55.95 55.76 1j7c s SER 85 Cb 0.01 0.33 -0.08 0.00 0.10 0.00 0.00 66.02 66.38 1j7c s SER 85 CO 0.01 -0.65 1.24 -1.81 0.98 0.00 0.00 173.24 173.02 1j7c s ASP 86 N -3.59 6.17 0.03 7.02 1.01 -1.26 -4.68 116.67 121.36 1j7c s ASP 86 Ca 0.25 2.50 0.02 0.00 0.71 0.00 0.00 52.55 56.03 1j7c s ASP 86 Cb -0.01 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.27 1j7c s ASP 86 CO 0.02 -0.93 -0.07 -0.69 0.21 0.00 0.00 175.17 173.71 1j7c s VAL 87 N -1.38 0.47 -0.18 -1.27 1.01 -0.13 -4.19 120.40 114.72 1j7c s VAL 87 Ca 0.61 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.76 1j7c s VAL 87 Cb -0.34 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 35.54 1j7c s VAL 87 CO 0.42 -0.26 -0.18 -0.69 0.00 0.00 0.00 175.10 174.40 1j7c s VAL 88 N -1.05 2.25 0.01 2.92 1.01 0.48 0.25 120.40 126.27 1j7c s VAL 88 Ca -0.07 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1j7c s VAL 88 Cb -0.08 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.34 1j7c s VAL 88 CO 0.00 0.53 -0.01 -0.51 0.00 0.00 0.00 175.10 175.10 1j7c s ILE 89 N 1.25 0.08 -0.15 2.22 2.07 -0.09 0.19 121.20 126.77 1j7c s ILE 89 Ca 0.03 -0.25 -0.16 0.00 -1.41 0.00 0.00 60.65 58.87 1j7c s ILE 89 Cb -0.13 -0.11 -0.04 0.00 0.13 0.00 0.00 42.46 42.30 1j7c s ILE 89 CO -0.10 -0.11 0.37 -1.10 -1.91 0.00 0.00 174.94 172.10 1j7c s GLN 90 N -0.37 4.28 0.58 3.50 -0.21 0.58 -0.67 119.66 127.35 1j7c s GLN 90 Ca -0.04 0.24 0.03 0.00 0.02 0.00 0.00 55.36 55.61 1j7c s GLN 90 Cb -0.03 -3.44 0.06 0.00 1.00 0.00 0.00 33.01 30.60 1j7c s GLN 90 CO -0.00 0.17 0.80 0.95 -2.12 0.00 0.00 175.29 175.10 1j7c s THR 91 N 0.63 2.51 -1.28 -0.19 -4.23 -0.07 0.60 115.64 113.61 1j7c s THR 91 Ca 0.20 -0.73 -0.05 0.00 -1.18 0.00 0.00 61.69 59.93 1j7c s THR 91 Cb -0.14 -2.78 0.01 0.00 1.34 0.00 0.00 72.50 70.93 1j7c s THR 91 CO 0.07 0.00 1.10 1.41 -0.54 0.00 0.00 174.62 176.66 1j7c n HIS 92 N -2.39 -2.58 -0.63 3.99 8.25 -1.20 -4.72 115.22 115.94 1j7c n HIS 92 Ca 0.11 0.98 0.09 0.00 -0.26 0.00 0.00 57.72 58.63 1j7c n HIS 92 Cb 0.60 -5.04 0.32 0.00 1.12 0.00 0.00 29.99 26.99 1j7c n HIS 92 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1j7c n LYS 93 N -4.61 3.57 -0.20 -0.41 4.76 -0.48 -4.70 118.16 116.09 1j7c n LYS 93 Ca -0.12 -2.79 -0.01 0.00 -2.87 0.00 0.00 58.31 52.53 1j7c n LYS 93 Cb 0.61 -1.82 0.07 0.00 -1.84 0.00 0.00 35.03 32.04 1j7c n LYS 93 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1j7c h GLU 94 N 3.50 0.04 -0.31 1.97 4.81 -1.78 -1.41 114.58 121.40 1j7c h GLU 94 Ca 0.00 -0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.32 1j7c h GLU 94 Cb 1.38 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.74 1j7c h GLU 94 CO 0.21 0.03 0.32 0.87 -0.73 0.00 0.00 179.01 179.71 1j7c h LYS 95 N 0.04 0.00 0.00 1.92 1.57 -1.91 0.32 116.57 118.52 1j7c h LYS 95 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1j7c h LYS 95 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1j7c h LYS 95 CO -0.57 0.00 0.00 -0.44 -0.57 0.00 0.00 179.45 177.87 1j7c h ASP 96 N 0.00 0.00 -3.47 0.86 5.19 -1.62 -3.43 116.42 113.95 1j7c h ASP 96 Ca 0.15 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 56.05 1j7c h ASP 96 Cb 0.78 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.29 1j7c h ASP 96 CO -0.00 0.00 -0.01 -0.76 -3.12 0.00 0.00 179.24 175.35 1j7c s LEU 97 N -4.69 3.95 0.00 1.55 1.43 0.10 -5.20 118.68 115.82 1j7c s LEU 97 Ca 0.01 0.95 0.00 0.00 -1.03 0.00 0.00 54.13 54.06 1j7c s LEU 97 Cb 0.08 -3.79 0.00 0.00 0.03 0.00 0.00 46.19 42.51 1j7c s LEU 97 CO 0.34 -0.29 0.00 0.00 0.23 0.00 0.00 176.35 176.63