#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j5c s ASN 2 N 0.00 7.32 0.20 0.00 4.22 -1.26 -4.28 114.94 121.14 1j5c s ASN 2 Ca 0.00 2.21 -0.05 0.00 -2.14 0.00 0.00 52.86 52.88 1j5c s ASN 2 Cb 0.00 -2.62 -0.06 0.00 1.28 0.00 0.00 41.25 39.85 1j5c s ASN 2 CO 0.00 -0.11 0.46 0.00 -2.04 0.00 0.00 177.10 175.41 1j5c s ALA 3 N -1.07 3.71 -0.00 3.54 0.00 -1.23 -4.96 121.76 121.75 1j5c s ALA 3 Ca 0.44 -0.54 -0.06 0.00 0.00 0.00 0.00 51.96 51.80 1j5c s ALA 3 Cb -0.31 -2.21 -0.00 0.00 0.00 0.00 0.00 23.12 20.60 1j5c s ALA 3 CO 0.39 0.50 0.11 -0.08 0.00 0.00 0.00 175.76 176.68 1j5c s THR 4 N -1.82 0.08 0.14 0.00 -1.32 -1.26 -1.31 115.64 110.14 1j5c s THR 4 Ca 0.43 -0.63 0.02 0.00 -1.21 0.00 0.00 61.69 60.30 1j5c s THR 4 Cb -0.11 -0.37 -0.04 0.00 -1.51 0.00 0.00 72.50 70.46 1j5c s THR 4 CO 0.26 -0.35 -0.04 -0.69 -2.21 0.00 0.00 174.62 171.59 1j5c s VAL 5 N -1.20 0.73 -0.16 5.08 1.01 -0.30 -4.67 120.40 120.89 1j5c s VAL 5 Ca -0.13 -1.97 -0.01 0.00 0.00 0.00 0.00 61.98 59.87 1j5c s VAL 5 Cb -0.07 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 1j5c s VAL 5 CO 0.01 -0.68 -0.12 -1.59 0.00 0.00 0.00 175.10 172.71 1j5c s LYS 6 N -3.86 3.32 -0.97 2.72 -2.85 -1.25 -1.83 119.74 115.03 1j5c s LYS 6 Ca 0.18 -0.70 -0.22 0.00 -1.00 0.00 0.00 55.97 54.23 1j5c s LYS 6 Cb 0.05 -2.71 -0.11 0.00 -2.06 0.00 0.00 37.83 33.00 1j5c s LYS 6 CO -0.00 0.05 1.93 -1.33 0.10 0.00 0.00 175.35 176.10 1j5c n MET 7 N 3.99 1.69 0.00 1.78 2.81 -0.15 -4.45 117.12 122.79 1j5c n MET 7 Ca -0.19 -2.16 0.00 0.00 -1.81 0.00 0.00 57.70 53.55 1j5c n MET 7 Cb 0.52 -3.23 0.00 0.00 -0.71 0.00 0.00 33.22 29.80 1j5c n MET 7 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1j5c n GLY 8 N 4.96 3.33 3.81 3.03 0.00 -1.06 -3.19 105.19 116.07 1j5c n GLY 8 Ca 0.48 -1.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.32 1j5c n GLY 8 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1j5c s SER 9 N 0.00 5.71 0.03 1.61 0.15 -0.37 -4.75 113.70 116.08 1j5c s SER 9 Ca 0.00 1.76 -0.26 0.00 0.70 0.00 0.00 55.95 58.14 1j5c s SER 9 Cb 0.00 -2.52 -0.15 0.00 -1.71 0.00 0.00 66.02 61.64 1j5c s SER 9 CO 0.00 -1.21 1.20 -0.78 1.20 0.00 0.00 173.24 173.65 1j5c h ASP 10 N 0.16 -0.80 -0.96 5.45 1.82 -1.97 -3.19 116.42 116.93 1j5c h ASP 10 Ca -0.46 0.03 0.11 0.00 -0.39 0.00 0.00 57.03 56.32 1j5c h ASP 10 Cb 1.22 0.21 -0.13 0.00 0.68 0.00 0.00 39.33 41.30 1j5c h ASP 10 CO 0.57 -0.49 -0.49 -1.20 -1.61 0.00 0.00 179.24 176.02 1j5c n SER 11 N -4.99 -0.85 0.00 2.28 7.64 -1.26 -4.71 113.62 111.72 1j5c n SER 11 Ca -0.12 1.69 0.00 0.00 1.01 0.00 0.00 58.87 61.45 1j5c n SER 11 Cb 0.37 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1j5c n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j5c n GLY 12 N -1.33 -1.17 3.29 0.23 0.00 -1.21 -5.17 105.19 99.83 1j5c n GLY 12 Ca 0.05 0.41 -0.17 0.00 0.00 0.00 0.00 46.02 46.31 1j5c n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j5c s ALA 13 N 0.00 1.70 -0.55 4.61 0.00 -1.22 -4.93 121.76 121.36 1j5c s ALA 13 Ca 0.00 -1.81 0.04 0.00 0.00 0.00 0.00 51.96 50.19 1j5c s ALA 13 Cb 0.00 1.27 0.16 0.00 0.00 0.00 0.00 23.12 24.55 1j5c s ALA 13 CO 0.00 -0.56 0.37 -0.48 0.00 0.00 0.00 175.76 175.09 1j5c s LEU 14 N -3.31 3.44 0.00 0.00 0.05 -1.26 -1.23 118.68 116.37 1j5c s LEU 14 Ca 0.38 -3.26 0.01 0.00 0.05 0.00 0.00 54.13 51.31 1j5c s LEU 14 Cb 0.05 -1.21 -0.00 0.00 -2.05 0.00 0.00 46.19 42.98 1j5c s LEU 14 CO 0.17 -0.17 0.03 1.33 -0.55 0.00 0.00 176.35 177.17 1j5c n VAL 15 N 2.71 0.00 -3.74 1.48 0.24 -1.26 -4.82 118.33 112.94 1j5c n VAL 15 Ca 0.17 -0.29 -0.28 0.00 -2.04 0.00 0.00 64.34 61.90 1j5c n VAL 15 Cb 0.37 0.14 -0.16 0.00 -1.47 0.00 0.00 33.84 32.73 1j5c n VAL 15 CO 0.00 0.00 0.00 0.72 -2.14 0.00 0.00 176.83 175.41 1j5c s PHE 16 N -2.14 1.14 -0.01 6.34 -0.71 -1.26 -2.56 117.98 118.77 1j5c s PHE 16 Ca 0.05 -0.99 0.02 0.00 -1.04 0.00 0.00 56.93 54.97 1j5c s PHE 16 Cb 0.00 -1.12 -0.00 0.00 -1.21 0.00 0.00 43.02 40.69 1j5c s PHE 16 CO 0.03 -0.65 -0.08 -1.21 -1.34 0.00 0.00 175.22 171.97 1j5c s GLU 17 N 1.82 0.69 0.24 1.99 2.02 -1.26 -2.14 118.70 122.05 1j5c s GLU 17 Ca 0.00 -0.29 -0.30 0.00 0.02 0.00 0.00 54.97 54.41 1j5c s GLU 17 Cb -0.17 -0.66 -0.09 0.00 0.10 0.00 0.00 34.13 33.31 1j5c s GLU 17 CO -0.11 0.17 1.10 -1.25 0.02 0.00 0.00 175.26 175.18 1j5c s PRO 18 N -0.14 4.63 0.31 0.39 0.04 -1.26 -3.75 135.00 135.22 1j5c s PRO 18 Ca 0.02 1.76 0.12 0.00 0.04 0.00 0.00 61.00 62.94 1j5c s PRO 18 Cb -0.04 -3.23 0.99 0.00 0.04 0.00 0.00 34.50 32.27 1j5c s PRO 18 CO -0.00 0.17 1.38 -1.13 0.04 0.00 0.00 177.00 177.46 1j5c n SER 19 N 1.70 0.15 -4.04 6.66 3.41 -0.91 -4.02 113.62 116.57 1j5c n SER 19 Ca 0.00 1.47 -0.24 0.00 -0.26 0.00 0.00 58.87 59.84 1j5c n SER 19 Cb 0.45 -0.65 -0.16 0.00 -0.26 0.00 0.00 64.21 63.59 1j5c n SER 19 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1j5c s THR 20 N -5.53 1.13 0.13 6.66 2.01 -1.26 -2.88 115.64 115.90 1j5c s THR 20 Ca -0.09 -0.50 0.09 0.00 0.31 0.00 0.00 61.69 61.50 1j5c s THR 20 Cb 0.28 -1.02 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 1j5c s THR 20 CO 0.68 0.35 -0.23 0.68 -0.69 0.00 0.00 174.62 175.42 1j5c s VAL 21 N 0.49 1.97 -0.05 3.82 -7.23 -1.24 -5.04 120.40 113.12 1j5c s VAL 21 Ca -0.11 -1.74 -0.03 0.00 -1.81 0.00 0.00 61.98 58.29 1j5c s VAL 21 Cb -0.14 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 34.96 1j5c s VAL 21 CO 0.03 -0.07 0.11 0.42 -0.31 0.00 0.00 175.10 175.28 1j5c s THR 22 N -1.36 5.09 -0.03 5.32 -4.23 -1.26 -1.40 115.64 117.76 1j5c s THR 22 Ca 0.12 -0.13 -0.06 0.00 -1.18 0.00 0.00 61.69 60.44 1j5c s THR 22 Cb -0.09 -3.28 0.01 0.00 1.34 0.00 0.00 72.50 70.48 1j5c s THR 22 CO 0.06 0.47 0.15 -0.51 -0.54 0.00 0.00 174.62 174.24 1j5c s ILE 23 N -1.13 0.04 0.53 2.99 -1.16 0.20 -3.99 121.20 118.68 1j5c s ILE 23 Ca 0.20 -0.36 -0.05 0.00 -0.51 0.00 0.00 60.65 59.93 1j5c s ILE 23 Cb -0.12 -0.33 -0.01 0.00 0.61 0.00 0.00 42.46 42.61 1j5c s ILE 23 CO 0.10 -0.20 0.82 -0.54 -2.81 0.00 0.00 174.94 172.31 1j5c s LYS 24 N -0.67 3.15 -0.34 3.50 1.02 -1.26 0.13 119.74 125.27 1j5c s LYS 24 Ca -0.08 -0.02 -0.29 0.00 0.02 0.00 0.00 55.97 55.60 1j5c s LYS 24 Cb -0.05 -2.36 0.01 0.00 -0.52 0.00 0.00 37.83 34.91 1j5c s LYS 24 CO 0.01 -0.45 1.29 0.00 -0.92 0.00 0.00 175.35 175.27 1j5c s ALA 25 N -2.83 3.30 0.00 5.17 0.00 -1.24 -2.76 121.76 123.41 1j5c s ALA 25 Ca 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.46 1j5c s ALA 25 Cb -0.10 -3.81 0.00 0.00 0.00 0.00 0.00 23.12 19.21 1j5c s ALA 25 CO 0.44 -1.91 0.00 0.41 0.00 0.00 0.00 175.76 174.70 1j5c n GLY 26 N 4.47 0.91 3.54 0.00 0.00 0.11 -4.96 105.19 109.26 1j5c n GLY 26 Ca 0.15 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1j5c n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j5c n GLU 27 N 0.00 -2.25 -4.39 1.61 4.71 -1.11 -4.55 120.64 114.66 1j5c n GLU 27 Ca 0.00 -1.82 -0.20 0.00 -0.01 0.00 0.00 57.16 55.13 1j5c n GLU 27 Cb 0.00 -1.46 -0.10 0.00 -1.01 0.00 0.00 31.44 28.87 1j5c n GLU 27 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 1j5c s GLU 28 N -5.58 1.62 0.17 3.49 4.04 -1.25 -1.02 118.70 120.17 1j5c s GLU 28 Ca 0.70 -1.93 0.11 0.00 0.04 0.00 0.00 54.97 53.90 1j5c s GLU 28 Cb -0.05 -0.38 -0.04 0.00 0.02 0.00 0.00 34.13 33.68 1j5c s GLU 28 CO 0.52 -0.37 -0.24 0.08 -1.84 0.00 0.00 175.26 173.41 1j5c s VAL 29 N -3.51 2.36 -0.13 1.83 1.01 0.23 -3.54 120.40 118.65 1j5c s VAL 29 Ca 0.34 -1.90 0.03 0.00 0.00 0.00 0.00 61.98 60.45 1j5c s VAL 29 Cb 0.06 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.35 1j5c s VAL 29 CO 0.16 -0.03 -0.22 -0.75 0.00 0.00 0.00 175.10 174.26 1j5c s LYS 30 N -2.43 2.96 -0.39 2.72 2.20 -0.43 -1.73 119.74 122.65 1j5c s LYS 30 Ca 0.18 -0.84 0.00 0.00 -0.36 0.00 0.00 55.97 54.96 1j5c s LYS 30 Cb -0.09 -2.37 0.11 0.00 -1.51 0.00 0.00 37.83 33.97 1j5c s LYS 30 CO 0.09 0.02 0.14 -1.58 -0.36 0.00 0.00 175.35 173.66 1j5c s TRP 31 N 0.74 3.66 0.26 4.03 0.51 -1.08 -1.15 118.94 125.91 1j5c s TRP 31 Ca -0.09 -2.71 -0.14 0.00 -2.12 0.00 0.00 56.10 51.03 1j5c s TRP 31 Cb -0.16 -3.08 -0.08 0.00 -0.81 0.00 0.00 33.47 29.34 1j5c s TRP 31 CO -0.00 -0.95 0.66 0.08 -0.51 0.00 0.00 176.95 176.23 1j5c s VAL 32 N 0.96 4.75 -0.06 4.03 1.01 -0.76 -3.00 120.40 127.33 1j5c s VAL 32 Ca 0.10 0.85 -0.22 0.00 0.00 0.00 0.00 61.98 62.71 1j5c s VAL 32 Cb -0.21 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1j5c s VAL 32 CO -0.06 -0.05 0.66 0.20 0.00 0.00 0.00 175.10 175.85 1j5c s ASN 33 N -2.15 6.96 0.00 3.32 -0.87 -1.26 -0.98 114.94 119.96 1j5c s ASN 33 Ca 0.49 1.15 0.00 0.00 -1.57 0.00 0.00 52.86 52.93 1j5c s ASN 33 Cb -0.12 -2.39 0.00 0.00 -0.02 0.00 0.00 41.25 38.72 1j5c s ASN 33 CO 0.19 -0.06 0.00 -3.20 -2.57 0.00 0.00 177.10 171.46 1j5c n ASN 34 N 3.56 0.00 -2.61 -1.22 2.85 -1.19 -4.51 115.26 112.14 1j5c n ASN 34 Ca -0.03 0.00 -0.07 0.00 -0.11 0.00 0.00 54.58 54.37 1j5c n ASN 34 Cb 0.51 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.56 1j5c n ASN 34 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1j5c n LYS 35 N -1.35 0.92 -2.63 1.20 0.00 -1.21 -4.83 118.16 110.27 1j5c n LYS 35 Ca 0.00 -1.83 -0.03 0.00 0.00 0.00 0.00 58.31 56.45 1j5c n LYS 35 Cb 0.00 2.31 0.01 0.00 0.00 0.00 0.00 35.03 37.35 1j5c n LYS 35 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1j5c n LEU 36 N 0.00 -5.12 -4.89 3.14 4.32 -1.26 -4.63 117.00 108.56 1j5c n LEU 36 Ca -0.07 -0.18 -0.29 0.00 -0.02 0.00 0.00 56.01 55.45 1j5c n LEU 36 Cb 0.51 -2.55 0.01 0.00 -1.62 0.00 0.00 43.42 39.77 1j5c n LEU 36 CO 0.23 -0.54 0.60 -0.94 -1.22 0.00 0.00 177.39 175.52 1j5c s SER 37 N -2.86 6.14 1.06 -1.43 1.04 -1.26 -4.53 113.70 111.85 1j5c s SER 37 Ca 0.09 1.15 -0.09 0.00 0.48 0.00 0.00 55.95 57.59 1j5c s SER 37 Cb -0.01 -2.29 0.12 0.00 0.10 0.00 0.00 66.02 63.95 1j5c s SER 37 CO 0.52 -0.80 0.57 -0.81 0.98 0.00 0.00 173.24 173.69 1j5c n PRO 38 N -2.56 -1.28 -3.16 4.02 -0.04 -1.26 -5.11 135.00 125.60 1j5c n PRO 38 Ca 0.04 -0.89 0.03 0.00 -0.04 0.00 0.00 63.50 62.64 1j5c n PRO 38 Cb 0.55 -0.70 -0.00 0.00 -0.04 0.00 0.00 33.50 33.31 1j5c n PRO 38 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1j5c s HIS 39 N -2.14 -1.71 0.10 0.54 3.76 -1.26 -4.97 115.29 109.61 1j5c s HIS 39 Ca 0.34 0.69 0.03 0.00 -0.15 0.00 0.00 55.06 55.97 1j5c s HIS 39 Cb -0.02 0.30 -0.04 0.00 1.11 0.00 0.00 32.58 33.93 1j5c s HIS 39 CO 0.25 -1.07 0.12 0.54 -0.85 0.00 0.00 174.74 173.73 1j5c s ASN 40 N 2.41 5.67 -0.68 1.40 2.20 -1.26 -3.23 114.94 121.45 1j5c s ASN 40 Ca 0.13 0.01 0.05 0.00 -0.94 0.00 0.00 52.86 52.11 1j5c s ASN 40 Cb -0.07 -1.55 0.24 0.00 -2.00 0.00 0.00 41.25 37.87 1j5c s ASN 40 CO -0.18 0.14 0.77 -0.38 -2.94 0.00 0.00 177.10 174.52 1j5c n ILE 41 N 0.20 2.51 -2.85 0.54 5.41 -1.25 -4.18 119.36 119.74 1j5c n ILE 41 Ca -0.08 -5.24 -0.41 0.00 1.00 0.00 0.00 62.75 58.02 1j5c n ILE 41 Cb 0.52 -2.11 -0.04 0.00 -0.71 0.00 0.00 39.64 37.30 1j5c n ILE 41 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1j5c s VAL 42 N -2.38 4.88 -0.08 1.39 1.01 -1.16 -1.06 120.40 122.98 1j5c s VAL 42 Ca 0.38 1.82 -0.04 0.00 0.00 0.00 0.00 61.98 64.14 1j5c s VAL 42 Cb 0.12 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 1j5c s VAL 42 CO -0.02 0.23 0.08 -0.36 0.00 0.00 0.00 175.10 175.02 1j5c s PHE 43 N 0.73 3.37 -0.08 5.22 0.40 -1.26 -1.58 117.98 124.78 1j5c s PHE 43 Ca 0.45 0.34 -0.07 0.00 -0.60 0.00 0.00 56.93 57.05 1j5c s PHE 43 Cb -0.20 -1.84 -0.04 0.00 0.51 0.00 0.00 43.02 41.44 1j5c s PHE 43 CO 0.24 0.60 0.18 0.00 0.70 0.00 0.00 175.22 176.95 1j5c s ALA 44 N -1.01 3.87 -1.27 5.36 0.00 -0.56 -4.72 121.76 123.44 1j5c s ALA 44 Ca 0.16 -0.61 -0.13 0.00 0.00 0.00 0.00 51.96 51.37 1j5c s ALA 44 Cb -0.12 -2.00 0.14 0.00 0.00 0.00 0.00 23.12 21.14 1j5c s ALA 44 CO 0.05 0.63 1.67 0.00 0.00 0.00 0.00 175.76 178.12 1j5c n ALA 45 N 1.75 4.33 -3.16 0.00 0.00 -1.26 -4.41 120.51 117.76 1j5c n ALA 45 Ca -0.17 -4.16 -0.42 0.00 0.00 0.00 0.00 53.44 48.69 1j5c n ALA 45 Cb 0.54 -3.19 -0.09 0.00 0.00 0.00 0.00 19.45 16.72 1j5c n ALA 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1j5c s ASP 46 N 2.64 5.85 0.00 0.00 1.01 -1.26 -4.56 116.67 120.35 1j5c s ASP 46 Ca 0.45 -1.48 0.00 0.00 0.71 0.00 0.00 52.55 52.22 1j5c s ASP 46 Cb 0.03 -2.07 0.00 0.00 1.01 0.00 0.00 42.92 41.89 1j5c s ASP 46 CO 0.01 -0.60 0.00 0.61 0.21 0.00 0.00 175.17 175.40 1j5c n GLY 47 N 5.03 1.78 3.87 0.21 0.00 -1.26 -4.95 105.19 109.86 1j5c n GLY 47 Ca -0.11 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 1j5c n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j5c s VAL 48 N -0.24 3.12 1.07 1.61 1.01 -1.26 -5.02 120.40 120.68 1j5c s VAL 48 Ca 0.00 0.36 -0.13 0.00 0.00 0.00 0.00 61.98 62.22 1j5c s VAL 48 Cb 0.00 -3.30 0.20 0.00 0.00 0.00 0.00 36.38 33.28 1j5c s VAL 48 CO 0.00 -0.48 0.87 0.47 0.00 0.00 0.00 175.10 175.97 1j5c n ASP 49 N -3.17 -1.21 -0.02 3.32 8.00 -1.26 -4.84 116.55 117.37 1j5c n ASP 49 Ca 0.07 0.07 -0.00 0.00 0.71 0.00 0.00 54.79 55.64 1j5c n ASP 49 Cb 0.58 -1.29 -0.00 0.00 -0.02 0.00 0.00 41.12 40.39 1j5c n ASP 49 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j5c h ALA 50 N -2.27 0.00 -1.00 2.24 0.00 -1.95 -3.00 119.26 113.28 1j5c h ALA 50 Ca -0.53 -0.04 0.18 0.00 0.00 0.00 0.00 54.91 54.52 1j5c h ALA 50 Cb 1.31 0.02 -0.18 0.00 0.00 0.00 0.00 17.79 18.94 1j5c h ALA 50 CO 0.44 0.02 -0.31 0.22 0.00 0.00 0.00 179.25 179.62 1j5c h ASP 51 N -0.29 -1.14 0.06 0.00 1.82 -1.99 0.34 116.42 115.22 1j5c h ASP 51 Ca 0.00 0.30 0.01 0.00 -0.39 0.00 0.00 57.03 56.95 1j5c h ASP 51 Cb 0.02 0.68 -0.03 0.00 0.68 0.00 0.00 39.33 40.68 1j5c h ASP 51 CO 0.00 -0.31 -0.30 0.74 -1.61 0.00 0.00 179.24 177.76 1j5c h THR 52 N -0.00 0.00 -0.57 2.25 2.02 -1.96 0.07 112.91 114.71 1j5c h THR 52 Ca 0.42 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.71 1j5c h THR 52 Cb 0.67 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.97 1j5c h THR 52 CO -1.01 0.00 -0.32 0.00 0.37 0.00 0.00 175.52 174.56 1j5c h ALA 53 N -0.98 -0.03 -0.76 6.16 0.00 -0.73 0.22 119.26 123.15 1j5c h ALA 53 Ca -0.00 0.16 0.14 0.00 0.00 0.00 0.00 54.91 55.21 1j5c h ALA 53 Cb 0.42 0.75 -0.14 0.00 0.00 0.00 0.00 17.79 18.82 1j5c h ALA 53 CO -0.17 -0.67 -0.28 0.00 0.00 0.00 0.00 179.25 178.13 1j5c h ALA 54 N 1.01 0.25 0.27 0.00 0.00 0.11 2.07 119.26 122.97 1j5c h ALA 54 Ca 0.23 0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.40 1j5c h ALA 54 Cb 0.54 0.75 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1j5c h ALA 54 CO -0.66 -0.55 -0.40 -0.22 0.00 0.00 0.00 179.25 177.43 1j5c h LYS 55 N -0.06 -0.71 0.00 0.00 3.64 0.13 0.29 116.57 119.86 1j5c h LYS 55 Ca 0.32 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1j5c h LYS 55 Cb 0.57 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1j5c h LYS 55 CO -0.80 -0.47 0.00 1.28 -2.27 0.00 0.00 179.45 177.19 1j5c n LEU 56 N -5.48 0.34 -4.67 5.20 4.77 0.29 -4.54 117.00 112.92 1j5c n LEU 56 Ca -0.09 0.63 -0.42 0.00 -0.03 0.00 0.00 56.01 56.09 1j5c n LEU 56 Cb 0.38 -0.63 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 1j5c n LEU 56 CO 0.24 -0.63 0.78 -0.94 -1.33 0.00 0.00 177.39 175.51 1j5c s SER 57 N -3.62 7.08 -0.59 -1.43 1.04 0.67 -4.53 113.70 112.32 1j5c s SER 57 Ca 0.01 1.34 -0.21 0.00 0.48 0.00 0.00 55.95 57.57 1j5c s SER 57 Cb 0.06 -2.51 0.07 0.00 0.10 0.00 0.00 66.02 63.73 1j5c s SER 57 CO 0.19 -0.52 0.84 -1.00 0.98 0.00 0.00 173.24 173.73 1j5c s HIS 58 N 2.56 2.84 -0.48 5.02 3.76 -0.23 -4.83 115.29 123.93 1j5c s HIS 58 Ca 0.43 -0.53 0.03 0.00 -0.15 0.00 0.00 55.06 54.83 1j5c s HIS 58 Cb -0.16 -4.04 0.46 0.00 1.11 0.00 0.00 32.58 29.94 1j5c s HIS 58 CO 0.11 -1.40 1.62 1.17 -0.85 0.00 0.00 174.74 175.40 1j5c n LYS 59 N 7.06 3.09 -0.07 1.40 0.00 -1.26 -3.69 118.16 124.68 1j5c n LYS 59 Ca -0.05 -3.69 -0.07 0.00 0.00 0.00 0.00 58.31 54.50 1j5c n LYS 59 Cb 0.45 -2.27 -0.12 0.00 0.00 0.00 0.00 35.03 33.09 1j5c n LYS 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1j5c n GLY 60 N -0.83 -0.77 1.77 3.14 0.00 -1.26 -5.10 105.19 102.13 1j5c n GLY 60 Ca 0.53 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1j5c n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j5c n LEU 61 N -2.56 -5.24 -4.96 0.99 4.32 -1.26 -5.02 117.00 103.28 1j5c n LEU 61 Ca -0.24 2.51 -0.26 0.00 -0.02 0.00 0.00 56.01 58.00 1j5c n LEU 61 Cb 0.98 -2.69 0.11 0.00 -1.62 0.00 0.00 43.42 40.20 1j5c n LEU 61 CO 0.33 -1.49 0.63 0.00 -1.22 0.00 0.00 177.39 175.64 1j5c s ALA 62 N -0.41 3.20 0.00 -1.18 0.00 -1.20 -4.99 121.76 117.18 1j5c s ALA 62 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.65 1j5c s ALA 62 Cb 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 20.74 1j5c s ALA 62 CO 0.00 -1.58 0.00 1.19 0.00 0.00 0.00 175.76 175.37 1j5c n PHE 63 N -3.04 -0.44 -3.81 0.00 3.72 -1.26 -4.00 117.46 108.63 1j5c n PHE 63 Ca 0.12 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.17 1j5c n PHE 63 Cb 0.60 0.09 -0.05 0.00 -0.94 0.00 0.00 39.48 39.18 1j5c n PHE 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1j5c s ALA 64 N -1.22 3.87 -1.12 4.37 0.00 -1.26 -4.88 121.76 121.53 1j5c s ALA 64 Ca 0.00 -0.62 -0.19 0.00 0.00 0.00 0.00 51.96 51.15 1j5c s ALA 64 Cb 0.00 -2.02 0.09 0.00 0.00 0.00 0.00 23.12 21.19 1j5c s ALA 64 CO 0.00 0.66 1.48 0.00 0.00 0.00 0.00 175.76 177.90 1j5c s ALA 65 N -1.23 3.20 0.00 0.00 0.00 -1.26 -3.35 121.76 119.12 1j5c s ALA 65 Ca 0.24 -2.71 0.00 0.00 0.00 0.00 0.00 51.96 49.49 1j5c s ALA 65 Cb -0.13 -4.43 0.00 0.00 0.00 0.00 0.00 23.12 18.57 1j5c s ALA 65 CO 0.14 -3.29 0.00 0.41 0.00 0.00 0.00 175.76 173.02 1j5c n GLY 66 N 5.79 0.36 3.54 0.00 0.00 -1.26 -5.02 105.19 108.60 1j5c n GLY 66 Ca 0.37 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.96 1j5c n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j5c s GLU 67 N 0.00 3.19 0.13 1.61 0.41 -1.21 -4.93 118.70 117.90 1j5c s GLU 67 Ca 0.00 -0.28 0.04 0.00 -0.41 0.00 0.00 54.97 54.32 1j5c s GLU 67 Cb 0.00 -4.19 -0.04 0.00 -1.78 0.00 0.00 34.13 28.12 1j5c s GLU 67 CO 0.00 -2.13 0.16 -1.12 -0.49 0.00 0.00 175.26 171.68 1j5c s SER 68 N 3.74 5.78 0.47 -0.19 0.01 -1.26 -4.53 113.70 117.73 1j5c s SER 68 Ca 0.34 0.00 0.05 0.00 1.31 0.00 0.00 55.95 57.66 1j5c s SER 68 Cb -0.08 -1.60 -0.02 0.00 0.21 0.00 0.00 66.02 64.53 1j5c s SER 68 CO 0.15 0.10 0.22 -0.36 0.41 0.00 0.00 173.24 173.75 1j5c s PHE 69 N -1.65 2.16 0.02 2.43 0.08 -1.16 -4.99 117.98 114.87 1j5c s PHE 69 Ca 0.32 -0.74 -0.07 0.00 0.12 0.00 0.00 56.93 56.56 1j5c s PHE 69 Cb -0.11 -1.88 -0.00 0.00 -0.57 0.00 0.00 43.02 40.46 1j5c s PHE 69 CO 0.25 -0.01 0.12 0.99 -0.10 0.00 0.00 175.22 176.47 1j5c s THR 70 N -2.71 0.11 -0.08 0.64 2.01 -1.26 -2.63 115.64 111.72 1j5c s THR 70 Ca 0.32 -0.88 -0.05 0.00 0.31 0.00 0.00 61.69 61.39 1j5c s THR 70 Cb 0.01 -0.67 0.04 0.00 0.01 0.00 0.00 72.50 71.89 1j5c s THR 70 CO 0.18 -0.48 0.20 -0.94 -0.69 0.00 0.00 174.62 172.89 1j5c s SER 71 N -1.76 -0.21 -0.11 3.53 1.04 -0.70 -4.94 113.70 110.55 1j5c s SER 71 Ca -0.10 0.43 -0.04 0.00 0.48 0.00 0.00 55.95 56.71 1j5c s SER 71 Cb -0.04 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.39 1j5c s SER 71 CO -0.02 -0.13 0.06 -0.89 0.98 0.00 0.00 173.24 173.24 1j5c s THR 72 N 0.85 4.77 -0.37 2.02 2.01 -1.26 0.74 115.64 124.40 1j5c s THR 72 Ca -0.06 -0.07 0.03 0.00 0.31 0.00 0.00 61.69 61.90 1j5c s THR 72 Cb -0.08 -3.06 0.11 0.00 0.01 0.00 0.00 72.50 69.48 1j5c s THR 72 CO -0.05 0.59 0.10 -0.36 -0.69 0.00 0.00 174.62 174.21 1j5c s PHE 73 N -0.75 3.68 -0.13 4.92 0.08 -0.19 -4.87 117.98 120.73 1j5c s PHE 73 Ca 0.12 -2.95 0.14 0.00 0.12 0.00 0.00 56.93 54.36 1j5c s PHE 73 Cb -0.12 -2.96 0.03 0.00 -0.57 0.00 0.00 43.02 39.41 1j5c s PHE 73 CO 0.03 -0.93 1.43 1.15 -0.10 0.00 0.00 175.22 176.79 1j5c h THR 74 N 6.45 0.96 -3.31 0.64 2.02 -1.86 0.31 112.91 118.11 1j5c h THR 74 Ca -0.05 -2.36 -0.64 0.00 0.77 0.00 0.00 66.41 64.13 1j5c h THR 74 Cb 1.01 2.47 -0.19 0.00 -1.74 0.00 0.00 68.15 69.70 1j5c h THR 74 CO 0.56 0.55 -0.64 -0.70 0.37 0.00 0.00 175.52 175.66 1j5c s GLU 75 N -2.93 3.61 0.38 6.66 2.56 -1.26 -4.44 118.70 123.27 1j5c s GLU 75 Ca 0.04 -0.46 -0.25 0.00 0.00 0.00 0.00 54.97 54.29 1j5c s GLU 75 Cb 0.08 -2.95 -0.09 0.00 2.00 0.00 0.00 34.13 33.17 1j5c s GLU 75 CO 0.75 0.33 1.06 -1.25 -0.56 0.00 0.00 175.26 175.59 1j5c s PRO 76 N 0.14 4.25 0.00 4.30 0.04 -1.26 -4.90 135.00 137.56 1j5c s PRO 76 Ca 0.00 1.57 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1j5c s PRO 76 Cb -0.13 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.75 1j5c s PRO 76 CO 0.02 -0.08 0.00 0.41 0.04 0.00 0.00 177.00 177.39 1j5c n GLY 77 N 0.50 -1.60 3.27 0.56 0.00 -0.33 -4.96 105.19 102.63 1j5c n GLY 77 Ca 0.04 -1.23 -0.34 0.00 0.00 0.00 0.00 46.02 44.49 1j5c n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j5c s THR 78 N -2.86 2.82 0.32 2.61 2.01 -1.26 0.30 115.64 119.59 1j5c s THR 78 Ca 0.00 -0.71 0.08 0.00 0.31 0.00 0.00 61.69 61.38 1j5c s THR 78 Cb 0.00 -2.21 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 1j5c s THR 78 CO 0.00 0.50 0.11 -0.31 -0.69 0.00 0.00 174.62 174.23 1j5c s TYR 79 N 0.98 2.71 0.05 4.92 1.51 -0.94 -4.87 117.35 121.71 1j5c s TYR 79 Ca -0.02 -0.35 0.02 0.00 -1.01 0.00 0.00 57.07 55.72 1j5c s TYR 79 Cb -0.15 -1.55 -0.02 0.00 -0.11 0.00 0.00 41.96 40.13 1j5c s TYR 79 CO -0.02 0.40 -0.08 0.99 -1.11 0.00 0.00 175.55 175.73 1j5c s THR 80 N -2.40 0.56 0.16 -0.71 2.01 -1.26 -0.08 115.64 113.91 1j5c s THR 80 Ca 0.36 -1.13 -0.14 0.00 0.31 0.00 0.00 61.69 61.09 1j5c s THR 80 Cb -0.03 -0.67 0.02 0.00 0.01 0.00 0.00 72.50 71.83 1j5c s THR 80 CO 0.22 -0.41 0.40 -0.72 -0.69 0.00 0.00 174.62 173.42 1j5c s TYR 81 N -1.49 0.01 -0.09 4.92 1.13 -1.12 -1.49 117.35 119.21 1j5c s TYR 81 Ca -0.09 -0.35 -0.31 0.00 -1.41 0.00 0.00 57.07 54.91 1j5c s TYR 81 Cb -0.09 0.20 0.11 0.00 -1.10 0.00 0.00 41.96 41.08 1j5c s TYR 81 CO 0.00 -0.77 1.38 1.52 -2.51 0.00 0.00 175.55 175.17 1j5c s TYR 82 N -3.87 0.00 -0.10 -3.49 -0.85 -0.62 -2.17 117.35 106.24 1j5c s TYR 82 Ca 0.09 -0.02 -0.11 0.00 -0.52 0.00 0.00 57.07 56.52 1j5c s TYR 82 Cb 0.01 0.51 -0.05 0.00 0.38 0.00 0.00 41.96 42.81 1j5c s TYR 82 CO -0.06 -0.03 0.24 0.00 -1.52 0.00 0.00 175.55 174.18 1j5c h GLU 84 N 5.38 -0.01 0.00 0.00 4.57 -1.96 -3.43 114.58 119.13 1j5c h GLU 84 Ca -0.50 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1j5c h GLU 84 Cb 1.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1j5c h GLU 84 CO 0.64 0.77 0.00 -0.35 -1.18 0.00 0.00 179.01 178.89 1j5c n PRO 85 N -4.70 0.00 -0.22 0.92 -0.04 -1.26 -5.01 135.00 124.69 1j5c n PRO 85 Ca -0.09 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.40 1j5c n PRO 85 Cb 0.39 -0.11 -0.01 0.00 -0.04 0.00 0.00 33.50 33.72 1j5c n PRO 85 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1j5c n HIS 86 N 0.00 -1.90 0.00 0.54 8.25 -1.26 -4.92 115.22 115.93 1j5c n HIS 86 Ca 0.00 0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 1j5c n HIS 86 Cb 0.00 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 30.71 1j5c n HIS 86 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1j5c n ARG 87 N -1.42 0.00 0.00 -0.41 0.63 -1.26 -4.99 116.66 109.21 1j5c n ARG 87 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1j5c n ARG 87 Cb 0.10 -0.02 0.00 0.00 0.45 0.00 0.00 32.46 32.99 1j5c n ARG 87 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1j5c n GLY 88 N -1.32 0.00 2.67 5.14 0.00 -1.26 -4.48 105.19 105.95 1j5c n GLY 88 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1j5c n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j5c n ALA 89 N -2.11 2.74 -2.37 4.61 0.00 -1.26 -5.06 120.51 117.05 1j5c n ALA 89 Ca 0.00 -1.98 -0.10 0.00 0.00 0.00 0.00 53.44 51.36 1j5c n ALA 89 Cb 0.00 -0.84 0.01 0.00 0.00 0.00 0.00 19.45 18.62 1j5c n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j5c n GLY 90 N -0.92 0.05 3.82 0.00 0.00 -1.26 -4.87 105.19 102.01 1j5c n GLY 90 Ca -0.04 0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 1j5c n GLY 90 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1j5c s MET 91 N -0.99 3.50 -0.19 1.61 0.23 -1.26 -5.02 119.30 117.18 1j5c s MET 91 Ca 0.09 1.09 -0.09 0.00 -1.03 0.00 0.00 55.69 55.76 1j5c s MET 91 Cb -0.01 -2.06 0.07 0.00 -1.53 0.00 0.00 34.83 31.30 1j5c s MET 91 CO 0.21 -0.65 0.43 0.14 -2.03 0.00 0.00 175.02 173.12 1j5c s VAL 92 N -2.58 -0.29 0.52 5.16 -7.23 -1.26 -4.01 120.40 110.72 1j5c s VAL 92 Ca 0.61 0.12 0.02 0.00 -1.81 0.00 0.00 61.98 60.92 1j5c s VAL 92 Cb -0.14 -0.66 0.00 0.00 0.56 0.00 0.00 36.38 36.14 1j5c s VAL 92 CO 0.37 0.05 0.10 -0.83 -0.31 0.00 0.00 175.10 174.48 1j5c s GLY 93 N 1.93 2.87 -0.06 2.32 0.00 -0.92 -5.01 107.32 108.44 1j5c s GLY 93 Ca -0.06 -0.56 -0.06 0.00 0.00 0.00 0.00 44.72 44.03 1j5c s GLY 93 CO -0.13 -2.14 0.17 -1.59 0.00 0.00 0.00 173.10 169.41 1j5c s LYS 94 N -3.98 0.20 0.29 2.90 -2.85 -1.14 -2.79 119.74 112.36 1j5c s LYS 94 Ca 0.12 0.23 0.08 0.00 -1.00 0.00 0.00 55.97 55.40 1j5c s LYS 94 Cb 0.00 0.10 -0.03 0.00 -2.06 0.00 0.00 37.83 35.84 1j5c s LYS 94 CO 0.07 -0.02 0.19 0.08 0.10 0.00 0.00 175.35 175.77 1j5c s VAL 95 N 0.08 3.92 -0.09 1.79 1.01 0.88 -3.67 120.40 124.32 1j5c s VAL 95 Ca -0.00 -1.49 -0.01 0.00 0.00 0.00 0.00 61.98 60.48 1j5c s VAL 95 Cb -0.01 -3.22 0.03 0.00 0.00 0.00 0.00 36.38 33.17 1j5c s VAL 95 CO 0.00 -0.29 -0.04 -0.69 0.00 0.00 0.00 175.10 174.08 1j5c s VAL 96 N -2.24 0.70 -0.09 2.92 1.01 -0.50 -2.22 120.40 119.99 1j5c s VAL 96 Ca 0.35 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.26 1j5c s VAL 96 Cb -0.07 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.52 1j5c s VAL 96 CO 0.24 0.31 -0.15 -0.69 0.00 0.00 0.00 175.10 174.81 1j5c s VAL 97 N 1.76 2.90 0.00 2.92 1.01 0.15 0.61 120.40 129.75 1j5c s VAL 97 Ca 0.04 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1j5c s VAL 97 Cb -0.13 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.09 1j5c s VAL 97 CO -0.06 0.56 0.30 -0.67 0.00 0.00 0.00 175.10 175.23