#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 0.53 -0.17 0.00 2.20 -1.26 -4.69 114.94 111.55 1j5c s ASN 2 Ca 0.00 -1.43 -0.04 0.00 -0.94 0.00 0.00 52.86 50.45 1j5c s ASN 2 Cb 0.00 0.46 0.08 0.00 -2.00 0.00 0.00 41.25 39.79 1j5c s ASN 2 CO 0.00 -0.95 0.22 0.00 -2.94 0.00 0.00 177.10 173.42 1j5c s ALA 3 N -3.90 -0.29 0.11 3.54 0.00 -1.19 -4.79 121.76 115.23 1j5c s ALA 3 Ca 0.37 0.42 0.09 0.00 0.00 0.00 0.00 51.96 52.84 1j5c s ALA 3 Cb 0.05 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.95 1j5c s ALA 3 CO 0.16 -1.00 -0.22 0.99 0.00 0.00 0.00 175.76 175.69 1j5c s THR 4 N 2.33 1.86 -0.11 0.00 2.01 -1.26 -2.00 115.64 118.48 1j5c s THR 4 Ca 0.05 -1.62 -0.04 0.00 0.31 0.00 0.00 61.69 60.39 1j5c s THR 4 Cb -0.14 -1.69 0.05 0.00 0.01 0.00 0.00 72.50 70.74 1j5c s THR 4 CO -0.10 -0.04 0.22 -0.69 -0.69 0.00 0.00 174.62 173.32 1j5c s VAL 5 N -1.18 -0.30 -0.23 3.82 1.01 -0.90 -4.57 120.40 118.04 1j5c s VAL 5 Ca 0.09 0.29 -0.29 0.00 0.00 0.00 0.00 61.98 62.07 1j5c s VAL 5 Cb -0.10 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.89 1j5c s VAL 5 CO 0.05 0.12 1.58 -1.59 0.00 0.00 0.00 175.10 175.26 1j5c s LYS 6 N 2.20 3.80 0.00 2.72 -2.85 -1.20 -3.54 119.74 120.87 1j5c s LYS 6 Ca 0.00 1.61 0.00 0.00 -1.00 0.00 0.00 55.97 56.59 1j5c s LYS 6 Cb -0.12 -4.02 0.00 0.00 -2.06 0.00 0.00 37.83 31.63 1j5c s LYS 6 CO -0.07 -1.28 0.26 -1.33 0.10 0.00 0.00 175.35 173.02 1j5c n MET 7 N 7.63 0.00 0.00 1.78 2.81 -0.55 -4.19 117.12 124.60 1j5c n MET 7 Ca 0.18 0.26 0.00 0.00 -1.81 0.00 0.00 57.70 56.33 1j5c n MET 7 Cb 0.45 -0.62 0.00 0.00 -0.71 0.00 0.00 33.22 32.34 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 -0.60 1.08 2.98 3.03 0.00 -1.25 -4.18 105.19 106.26 1j5c n GLY 8 Ca 0.00 -0.79 -0.26 0.00 0.00 0.00 0.00 46.02 44.97 1j5c n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j5c s SER 9 N -1.00 1.97 0.14 1.61 0.01 0.70 -4.47 113.70 112.66 1j5c s SER 9 Ca 0.00 -0.31 -0.31 0.00 1.31 0.00 0.00 55.95 56.63 1j5c s SER 9 Cb 0.00 -0.85 -0.08 0.00 0.21 0.00 0.00 66.02 65.30 1j5c s SER 9 CO 0.00 -0.02 1.55 -0.78 0.41 0.00 0.00 173.24 174.40 1j5c h ASP 10 N 7.44 -1.90 -0.95 2.44 3.58 -1.92 1.34 116.42 126.45 1j5c h ASP 10 Ca -0.31 0.27 0.27 0.00 0.42 0.00 0.00 57.03 57.68 1j5c h ASP 10 Cb 1.17 0.80 -0.04 0.00 1.72 0.00 0.00 39.33 42.98 1j5c h ASP 10 CO 0.46 -0.35 0.67 0.28 -2.88 0.00 0.00 179.24 177.42 1j5c h SER 11 N -0.27 0.06 0.00 2.28 0.02 -1.98 -3.45 113.55 110.20 1j5c h SER 11 Ca 0.11 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1j5c h SER 11 Cb 0.55 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1j5c h SER 11 CO -0.70 0.02 0.00 0.61 -1.14 0.00 0.00 176.83 175.62 1j5c n GLY 12 N -1.69 1.00 3.63 -3.77 0.00 0.46 -5.17 105.19 99.65 1j5c n GLY 12 Ca 0.20 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.95 -1.24 4.61 0.00 -1.17 -4.92 121.76 117.09 1j5c s ALA 13 Ca 0.00 1.85 -0.20 0.00 0.00 0.00 0.00 51.96 53.62 1j5c s ALA 13 Cb 0.00 -1.34 0.02 0.00 0.00 0.00 0.00 23.12 21.81 1j5c s ALA 13 CO 0.00 -0.25 1.78 -1.17 0.00 0.00 0.00 175.76 176.11 1j5c s LEU 14 N 0.10 3.58 0.31 0.00 2.96 -1.26 -0.22 118.68 124.16 1j5c s LEU 14 Ca 0.02 -2.11 0.03 0.00 -0.22 0.00 0.00 54.13 51.85 1j5c s LEU 14 Cb -0.05 -2.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.03 1j5c s LEU 14 CO -0.05 -1.76 0.15 -0.69 -1.32 0.00 0.00 176.35 172.69 1j5c s VAL 15 N 6.29 0.37 -0.20 1.68 1.01 -1.26 -4.73 120.40 123.55 1j5c s VAL 15 Ca 0.58 -2.00 -0.04 0.00 0.00 0.00 0.00 61.98 60.52 1j5c s VAL 15 Cb 0.02 -2.51 0.09 0.00 0.00 0.00 0.00 36.38 33.98 1j5c s VAL 15 CO 0.08 0.00 0.22 0.72 0.00 0.00 0.00 175.10 176.12 1j5c s PHE 16 N -3.58 -0.26 -0.06 5.22 -0.71 -1.26 -3.78 117.98 113.55 1j5c s PHE 16 Ca 0.35 0.20 -0.07 0.00 -1.04 0.00 0.00 56.93 56.37 1j5c s PHE 16 Cb 0.05 -0.37 0.02 0.00 -1.21 0.00 0.00 43.02 41.50 1j5c s PHE 16 CO 0.17 -0.61 0.19 -1.83 -1.34 0.00 0.00 175.22 171.81 1j5c s GLU 17 N 2.32 0.26 0.16 1.99 -1.05 -1.26 -2.78 118.70 118.34 1j5c s GLU 17 Ca 0.07 0.19 -0.30 0.00 -0.15 0.00 0.00 54.97 54.78 1j5c s GLU 17 Cb -0.16 0.12 -0.07 0.00 -0.44 0.00 0.00 34.13 33.58 1j5c s GLU 17 CO -0.12 -0.04 1.12 -1.25 0.95 0.00 0.00 175.26 175.92 1j5c s PRO 18 N -0.07 4.56 0.22 -4.83 0.04 -1.26 -3.28 135.00 130.37 1j5c s PRO 18 Ca -0.02 1.74 -0.08 0.00 0.04 0.00 0.00 61.00 62.68 1j5c s PRO 18 Cb -0.02 -3.28 0.33 0.00 0.04 0.00 0.00 34.50 31.57 1j5c s PRO 18 CO 0.00 0.01 1.71 0.66 0.04 0.00 0.00 177.00 179.43 1j5c h SER 19 N 5.36 0.09 -3.27 6.66 4.64 -1.91 -3.37 113.55 121.75 1j5c h SER 19 Ca -0.44 0.11 -0.67 0.00 -0.47 0.00 0.00 61.79 60.32 1j5c h SER 19 Cb 1.21 0.13 -0.32 0.00 -0.31 0.00 0.00 62.40 63.11 1j5c h SER 19 CO 0.74 0.04 -0.79 -0.89 -0.87 0.00 0.00 176.83 175.05 1j5c s THR 20 N -6.09 2.63 -0.03 2.95 2.01 -1.26 -2.84 115.64 113.00 1j5c s THR 20 Ca -0.13 -0.83 0.07 0.00 0.31 0.00 0.00 61.69 61.11 1j5c s THR 20 Cb 0.18 -2.19 -0.02 0.00 0.01 0.00 0.00 72.50 70.48 1j5c s THR 20 CO 0.75 0.43 -0.24 0.68 -0.69 0.00 0.00 174.62 175.55 1j5c s VAL 21 N 1.35 2.25 -0.01 3.82 -7.23 -1.26 -5.04 120.40 114.28 1j5c s VAL 21 Ca 0.04 -1.03 -0.21 0.00 -1.81 0.00 0.00 61.98 58.98 1j5c s VAL 21 Cb -0.14 -1.81 -0.05 0.00 0.56 0.00 0.00 36.38 34.94 1j5c s VAL 21 CO -0.08 0.58 0.60 0.42 -0.31 0.00 0.00 175.10 176.31 1j5c s THR 22 N -0.55 4.92 0.09 5.32 -4.23 -1.26 -2.88 115.64 117.05 1j5c s THR 22 Ca 0.08 1.26 -0.01 0.00 -1.18 0.00 0.00 61.69 61.84 1j5c s THR 22 Cb -0.11 -3.94 -0.04 0.00 1.34 0.00 0.00 72.50 69.75 1j5c s THR 22 CO 0.00 0.40 -0.00 -0.51 -0.54 0.00 0.00 174.62 173.97 1j5c s ILE 23 N -0.08 0.24 0.40 2.99 2.07 -0.10 -4.58 121.20 122.15 1j5c s ILE 23 Ca 0.32 -1.86 0.03 0.00 -1.41 0.00 0.00 60.65 57.72 1j5c s ILE 23 Cb -0.18 -1.73 -0.01 0.00 0.13 0.00 0.00 42.46 40.67 1j5c s ILE 23 CO 0.17 -0.79 0.58 -0.54 -1.91 0.00 0.00 174.94 172.45 1j5c s LYS 24 N -3.95 3.11 -0.99 3.50 1.02 -1.26 0.20 119.74 121.36 1j5c s LYS 24 Ca 0.14 -0.68 -0.23 0.00 0.02 0.00 0.00 55.97 55.22 1j5c s LYS 24 Cb 0.08 -2.67 0.06 0.00 -0.52 0.00 0.00 37.83 34.77 1j5c s LYS 24 CO -0.05 -0.11 1.41 0.00 -0.92 0.00 0.00 175.35 175.68 1j5c s ALA 25 N -2.39 2.77 0.00 5.17 0.00 -1.10 -2.59 121.76 123.62 1j5c s ALA 25 Ca 0.46 -2.24 0.00 0.00 0.00 0.00 0.00 51.96 50.18 1j5c s ALA 25 Cb -0.10 -4.47 0.00 0.00 0.00 0.00 0.00 23.12 18.55 1j5c s ALA 25 CO 0.35 -3.54 0.00 0.41 0.00 0.00 0.00 175.76 172.98 1j5c n GLY 26 N 6.67 0.94 3.77 0.00 0.00 0.15 -4.88 105.19 111.83 1j5c n GLY 26 Ca 0.30 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.02 1j5c n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j5c s GLU 27 N 0.00 -0.14 0.31 1.61 8.01 -1.07 -4.78 118.70 122.64 1j5c s GLU 27 Ca 0.00 -0.19 0.07 0.00 0.01 0.00 0.00 54.97 54.86 1j5c s GLU 27 Cb 0.00 -1.73 -0.06 0.00 -4.31 0.00 0.00 34.13 28.02 1j5c s GLU 27 CO 0.00 -2.97 -0.06 -1.21 0.01 0.00 0.00 175.26 171.03 1j5c s GLU 28 N -5.62 1.65 0.23 1.61 2.02 -1.26 -2.50 118.70 114.83 1j5c s GLU 28 Ca 0.72 -1.85 0.08 0.00 0.02 0.00 0.00 54.97 53.93 1j5c s GLU 28 Cb -0.07 -1.30 -0.05 0.00 0.10 0.00 0.00 34.13 32.81 1j5c s GLU 28 CO 0.54 0.05 -0.12 0.08 0.02 0.00 0.00 175.26 175.83 1j5c s VAL 29 N -2.91 1.75 -0.03 2.63 1.01 0.14 -3.19 120.40 119.79 1j5c s VAL 29 Ca 0.31 -2.20 -0.01 0.00 0.00 0.00 0.00 61.98 60.09 1j5c s VAL 29 Cb 0.04 -2.19 0.03 0.00 0.00 0.00 0.00 36.38 34.26 1j5c s VAL 29 CO 0.14 -0.49 0.03 -0.75 0.00 0.00 0.00 175.10 174.03 1j5c s LYS 30 N -3.66 0.02 -0.43 2.72 2.20 -0.85 -2.45 119.74 117.28 1j5c s LYS 30 Ca 0.25 0.22 -0.05 0.00 -0.36 0.00 0.00 55.97 56.04 1j5c s LYS 30 Cb 0.00 -0.38 0.11 0.00 -1.51 0.00 0.00 37.83 36.06 1j5c s LYS 30 CO 0.09 -0.21 0.25 -1.58 -0.36 0.00 0.00 175.35 173.53 1j5c s TRP 31 N 1.40 3.54 -0.06 4.03 0.51 -0.66 -2.13 118.94 125.57 1j5c s TRP 31 Ca -0.05 -2.27 -0.26 0.00 -2.12 0.00 0.00 56.10 51.40 1j5c s TRP 31 Cb -0.13 -3.31 -0.03 0.00 -0.81 0.00 0.00 33.47 29.20 1j5c s TRP 31 CO -0.03 -0.98 0.82 0.08 -0.51 0.00 0.00 176.95 176.33 1j5c s VAL 32 N 1.19 4.96 -0.06 4.03 1.01 -1.23 -2.83 120.40 127.47 1j5c s VAL 32 Ca 0.08 1.69 -0.21 0.00 0.00 0.00 0.00 61.98 63.53 1j5c s VAL 32 Cb -0.24 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 1j5c s VAL 32 CO -0.03 0.19 0.62 0.21 0.00 0.00 0.00 175.10 176.09 1j5c s ASN 33 N 0.92 6.91 -0.07 3.32 2.47 -1.25 -1.49 114.94 125.75 1j5c s ASN 33 Ca 0.43 1.09 0.04 0.00 0.42 0.00 0.00 52.86 54.84 1j5c s ASN 33 Cb -0.19 -2.37 -0.07 0.00 -1.45 0.00 0.00 41.25 37.17 1j5c s ASN 33 CO 0.21 -0.04 -0.02 -0.46 -3.72 0.00 0.00 177.10 173.07 1j5c n ASN 34 N 3.50 3.36 0.00 -4.21 0.23 -1.26 -4.30 115.26 112.58 1j5c n ASN 34 Ca -0.04 -0.02 0.00 0.00 -0.53 0.00 0.00 54.58 53.99 1j5c n ASN 34 Cb 0.51 0.32 0.00 0.00 -2.08 0.00 0.00 39.78 38.53 1j5c n ASN 34 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1j5c n LYS 35 N -2.46 -0.70 -2.78 -3.83 5.02 -1.26 -4.95 118.16 107.19 1j5c n LYS 35 Ca -0.13 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.09 1j5c n LYS 35 Cb 0.69 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.74 1j5c n LYS 35 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1j5c n LEU 36 N 0.00 -5.05 -4.88 -0.35 7.99 -1.26 -4.28 117.00 109.18 1j5c n LEU 36 Ca 0.00 -0.39 -0.21 0.00 -0.01 0.00 0.00 56.01 55.40 1j5c n LEU 36 Cb 0.00 -2.62 -0.03 0.00 -0.11 0.00 0.00 43.42 40.66 1j5c n LEU 36 CO 0.00 -0.21 -0.07 -0.94 -1.51 0.00 0.00 177.39 174.66 1j5c s SER 37 N -3.13 5.53 -0.06 -1.43 1.04 -1.26 -4.31 113.70 110.09 1j5c s SER 37 Ca 0.24 -0.35 -0.09 0.00 0.48 0.00 0.00 55.95 56.23 1j5c s SER 37 Cb -0.03 -1.17 -0.05 0.00 0.10 0.00 0.00 66.02 64.87 1j5c s SER 37 CO 0.56 -0.28 0.39 1.55 0.98 0.00 0.00 173.24 176.44 1j5c h PRO 38 N 1.23 -0.31 -2.75 4.02 0.13 -1.95 -3.51 132.00 128.85 1j5c h PRO 38 Ca -0.46 0.02 0.06 0.00 -0.87 0.00 0.00 66.00 64.75 1j5c h PRO 38 Cb 1.25 0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.42 1j5c h PRO 38 CO 0.58 -0.21 -0.77 -2.39 -0.23 0.00 0.00 178.00 174.98 1j5c n HIS 39 N -4.86 -3.13 -4.54 1.56 1.44 -1.26 -4.36 115.22 100.06 1j5c n HIS 39 Ca -0.04 1.70 -0.27 0.00 -2.01 0.00 0.00 57.72 57.11 1j5c n HIS 39 Cb 0.13 -2.78 -0.08 0.00 0.12 0.00 0.00 29.99 27.38 1j5c n HIS 39 CO 0.00 0.00 0.00 -0.80 -2.81 0.00 0.00 176.34 172.73 1j5c s ASN 40 N -5.14 2.97 -0.47 4.39 0.02 -1.26 -3.87 114.94 111.58 1j5c s ASN 40 Ca 0.00 -1.69 0.09 0.00 -1.02 0.00 0.00 52.86 50.24 1j5c s ASN 40 Cb 0.00 0.54 0.35 0.00 0.02 0.00 0.00 41.25 42.16 1j5c s ASN 40 CO 0.00 -0.94 0.84 -0.38 0.02 0.00 0.00 177.10 176.64 1j5c n ILE 41 N -0.96 1.37 -2.49 0.60 5.41 -1.07 -4.12 119.36 118.09 1j5c n ILE 41 Ca -0.07 -5.02 -0.41 0.00 1.00 0.00 0.00 62.75 58.25 1j5c n ILE 41 Cb 0.65 -0.77 -0.04 0.00 -0.71 0.00 0.00 39.64 38.76 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 -3.42 3.63 -0.08 1.39 1.01 -0.91 -1.49 120.40 120.53 1j5c s VAL 42 Ca 0.44 1.54 -0.01 0.00 0.00 0.00 0.00 61.98 63.95 1j5c s VAL 42 Cb 0.32 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 1j5c s VAL 42 CO -0.11 0.32 -0.02 -0.36 0.00 0.00 0.00 175.10 174.94 1j5c s PHE 43 N -0.77 3.09 0.14 5.22 0.40 -1.26 -2.66 117.98 122.14 1j5c s PHE 43 Ca 0.47 0.14 -0.15 0.00 -0.60 0.00 0.00 56.93 56.78 1j5c s PHE 43 Cb -0.31 -1.77 -0.07 0.00 0.51 0.00 0.00 43.02 41.39 1j5c s PHE 43 CO 0.38 0.42 0.56 0.00 0.70 0.00 0.00 175.22 177.29 1j5c s ALA 44 N -0.85 3.57 -0.98 5.36 0.00 0.16 -4.79 121.76 124.23 1j5c s ALA 44 Ca 0.13 -0.10 -0.04 0.00 0.00 0.00 0.00 51.96 51.95 1j5c s ALA 44 Cb -0.11 -2.55 0.25 0.00 0.00 0.00 0.00 23.12 20.71 1j5c s ALA 44 CO 0.02 0.44 0.99 0.00 0.00 0.00 0.00 175.76 177.22 1j5c n ALA 45 N 0.90 4.17 -0.08 0.00 0.00 -1.26 -4.21 120.51 120.03 1j5c n ALA 45 Ca -0.06 -4.67 -0.07 0.00 0.00 0.00 0.00 53.44 48.64 1j5c n ALA 45 Cb 0.52 -1.98 -0.02 0.00 0.00 0.00 0.00 19.45 17.96 1j5c n ALA 45 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1j5c n ASP 46 N 2.17 1.80 -1.38 0.00 5.75 -1.26 -4.57 116.55 119.07 1j5c n ASP 46 Ca 0.24 0.39 0.10 0.00 -0.01 0.00 0.00 54.79 55.51 1j5c n ASP 46 Cb 0.37 -0.76 0.32 0.00 -1.03 0.00 0.00 41.12 40.02 1j5c n ASP 46 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1j5c n GLY 47 N 1.50 2.67 3.39 6.12 0.00 -1.26 -4.94 105.19 112.66 1j5c n GLY 47 Ca -0.12 -0.79 -0.19 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.37 1.17 0.57 1.61 1.01 -1.26 -4.73 120.40 117.40 1j5c s VAL 48 Ca 0.48 -2.04 -0.17 0.00 0.00 0.00 0.00 61.98 60.25 1j5c s VAL 48 Cb 0.28 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 1j5c s VAL 48 CO 0.28 -0.19 1.07 -1.81 0.00 0.00 0.00 175.10 174.45 1j5c s ASP 49 N -3.39 5.83 0.03 3.32 1.01 -1.26 -4.76 116.67 117.44 1j5c s ASP 49 Ca 0.32 1.91 -0.27 0.00 0.71 0.00 0.00 52.55 55.22 1j5c s ASP 49 Cb 0.07 -2.55 -0.17 0.00 1.01 0.00 0.00 42.92 41.28 1j5c s ASP 49 CO 0.12 -1.13 1.33 0.00 0.21 0.00 0.00 175.17 175.70 1j5c h ALA 50 N 0.77 -0.62 0.05 5.23 0.00 -1.97 0.14 119.26 122.85 1j5c h ALA 50 Ca -0.48 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.27 1j5c h ALA 50 Cb 1.23 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 19.21 1j5c h ALA 50 CO 0.57 -0.73 -0.38 -0.44 0.00 0.00 0.00 179.25 178.27 1j5c h ASP 51 N -0.86 -1.12 -0.39 0.00 5.19 -1.98 0.41 116.42 117.67 1j5c h ASP 51 Ca -0.06 0.13 0.08 0.00 -0.62 0.00 0.00 57.03 56.56 1j5c h ASP 51 Cb 0.57 0.43 -0.08 0.00 0.18 0.00 0.00 39.33 40.43 1j5c h ASP 51 CO 0.10 -0.44 -0.17 0.74 -3.12 0.00 0.00 179.24 176.36 1j5c h THR 52 N -0.56 0.47 0.00 0.35 2.02 -1.95 0.85 112.91 114.09 1j5c h THR 52 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.22 1j5c h THR 52 Cb 0.62 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1j5c h THR 52 CO -0.26 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.63 1j5c h ALA 53 N 1.22 1.00 -0.17 6.16 0.00 0.05 0.44 119.26 127.96 1j5c h ALA 53 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 1j5c h ALA 53 Cb 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1j5c h ALA 53 CO -0.46 0.00 -0.46 0.00 0.00 0.00 0.00 179.25 178.34 1j5c h ALA 54 N 2.01 0.90 0.00 0.00 0.00 0.52 1.45 119.26 124.13 1j5c h ALA 54 Ca 0.00 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.34 1j5c h ALA 54 Cb 0.11 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1j5c h ALA 54 CO 0.00 0.65 -0.83 0.87 0.00 0.00 0.00 179.25 179.94 1j5c h LYS 55 N 0.34 0.00 -0.00 0.00 6.56 -0.37 -3.20 116.57 119.90 1j5c h LYS 55 Ca 0.02 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 1j5c h LYS 55 Cb 0.94 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.60 1j5c h LYS 55 CO 0.08 0.37 -0.61 1.28 -2.06 0.00 0.00 179.45 178.51 1j5c n LEU 56 N -3.06 0.91 -4.75 2.94 4.77 -0.56 -4.80 117.00 112.45 1j5c n LEU 56 Ca -0.02 -0.28 -0.38 0.00 -0.03 0.00 0.00 56.01 55.30 1j5c n LEU 56 Cb 0.75 -0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 41.66 1j5c n LEU 56 CO 0.41 0.20 0.22 -0.55 -1.33 0.00 0.00 177.39 176.35 1j5c s SER 57 N -2.86 6.84 -0.43 -1.43 0.15 0.49 -4.54 113.70 111.92 1j5c s SER 57 Ca 0.13 1.00 -0.04 0.00 0.70 0.00 0.00 55.95 57.74 1j5c s SER 57 Cb 0.17 -2.32 0.11 0.00 -1.71 0.00 0.00 66.02 62.28 1j5c s SER 57 CO 0.71 0.08 0.25 -1.00 1.20 0.00 0.00 173.24 174.48 1j5c s HIS 58 N 0.05 3.55 0.32 3.44 3.76 -0.55 -4.85 115.29 121.00 1j5c s HIS 58 Ca 0.28 -2.30 0.07 0.00 -0.15 0.00 0.00 55.06 52.97 1j5c s HIS 58 Cb -0.17 -3.29 0.90 0.00 1.11 0.00 0.00 32.58 31.13 1j5c s HIS 58 CO 0.14 -0.97 1.61 0.87 -0.85 0.00 0.00 174.74 175.53 1j5c h LYS 59 N 8.11 0.10 0.00 1.40 1.79 -1.94 -2.36 116.57 123.66 1j5c h LYS 59 Ca -0.14 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 1j5c h LYS 59 Cb 1.05 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.68 1j5c h LYS 59 CO 0.74 0.06 0.00 0.41 -1.08 0.00 0.00 179.45 179.58 1j5c n GLY 60 N -1.38 3.77 0.00 3.86 0.00 -1.26 -4.57 105.19 105.60 1j5c n GLY 60 Ca 0.27 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.63 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 0.00 0.00 -4.19 0.99 4.77 -1.26 -5.02 117.00 112.29 1j5c n LEU 61 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.61 1j5c n LEU 61 Cb 0.00 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 40.97 1j5c n LEU 61 CO 0.00 0.00 -0.19 0.00 -1.33 0.00 0.00 177.39 175.87 1j5c s ALA 62 N 0.00 3.12 0.00 -1.18 0.00 -1.25 -4.81 121.76 117.64 1j5c s ALA 62 Ca 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 51.96 49.78 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 -1.60 0.00 1.97 0.00 0.00 0.00 175.76 176.13 1j5c n PHE 63 N 4.72 0.00 -3.15 0.00 -1.74 -1.26 -4.17 117.46 111.87 1j5c n PHE 63 Ca -0.08 0.00 -0.42 0.00 -0.56 0.00 0.00 57.45 56.39 1j5c n PHE 63 Cb 0.43 0.26 -0.07 0.00 1.52 0.00 0.00 39.48 41.61 1j5c n PHE 63 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1j5c s ALA 64 N -1.60 3.40 0.83 1.98 0.00 -1.26 -4.94 121.76 120.17 1j5c s ALA 64 Ca 0.00 -1.11 -0.17 0.00 0.00 0.00 0.00 51.96 50.69 1j5c s ALA 64 Cb 0.00 -3.20 -0.12 0.00 0.00 0.00 0.00 23.12 19.80 1j5c s ALA 64 CO 0.00 -1.57 -0.34 0.00 0.00 0.00 0.00 175.76 173.85 1j5c n ALA 65 N 6.08 -4.08 0.00 0.00 0.00 -1.26 -2.35 120.51 118.89 1j5c n ALA 65 Ca -0.02 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1j5c n ALA 65 Cb 0.48 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1j5c n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j5c n GLY 66 N 2.81 2.90 3.64 0.00 0.00 -1.26 -5.00 105.19 108.28 1j5c n GLY 66 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.05 4.06 -0.04 1.61 0.41 -0.99 -4.91 118.70 118.78 1j5c s GLU 67 Ca 0.00 1.50 0.02 0.00 -0.41 0.00 0.00 54.97 56.08 1j5c s GLU 67 Cb 0.00 -3.84 0.01 0.00 -1.78 0.00 0.00 34.13 28.52 1j5c s GLU 67 CO 0.00 -0.94 -0.10 -1.12 -0.49 0.00 0.00 175.26 172.61 1j5c s SER 68 N 2.55 1.44 0.70 -0.19 0.01 -1.26 -3.80 113.70 113.15 1j5c s SER 68 Ca 0.57 -0.23 -0.03 0.00 1.31 0.00 0.00 55.95 57.57 1j5c s SER 68 Cb -0.20 -0.54 0.10 0.00 0.21 0.00 0.00 66.02 65.59 1j5c s SER 68 CO 0.20 0.04 0.97 -0.36 0.41 0.00 0.00 173.24 174.51 1j5c s PHE 69 N 0.46 2.16 0.01 2.43 0.08 -1.13 -4.85 117.98 117.14 1j5c s PHE 69 Ca -0.09 -0.02 -0.08 0.00 0.12 0.00 0.00 56.93 56.87 1j5c s PHE 69 Cb -0.12 -3.08 0.00 0.00 -0.57 0.00 0.00 43.02 39.25 1j5c s PHE 69 CO 0.02 -1.53 0.15 0.99 -0.10 0.00 0.00 175.22 174.74 1j5c s THR 70 N -3.14 0.09 -0.03 0.64 2.01 -1.26 -1.65 115.64 112.30 1j5c s THR 70 Ca 0.64 -0.78 -0.02 0.00 0.31 0.00 0.00 61.69 61.83 1j5c s THR 70 Cb -0.07 -0.59 0.01 0.00 0.01 0.00 0.00 72.50 71.86 1j5c s THR 70 CO 0.44 -0.43 0.07 -0.55 -0.69 0.00 0.00 174.62 173.46 1j5c s SER 71 N -1.62 -0.06 -0.25 3.53 0.15 -1.03 -4.92 113.70 109.50 1j5c s SER 71 Ca -0.12 0.15 -0.05 0.00 0.70 0.00 0.00 55.95 56.63 1j5c s SER 71 Cb -0.05 0.12 -0.00 0.00 -1.71 0.00 0.00 66.02 64.37 1j5c s SER 71 CO -0.00 -0.06 0.00 -0.89 1.20 0.00 0.00 173.24 173.49 1j5c s THR 72 N 0.35 3.57 -0.60 6.45 2.01 -1.26 0.25 115.64 126.42 1j5c s THR 72 Ca -0.03 -0.60 -0.18 0.00 0.31 0.00 0.00 61.69 61.20 1j5c s THR 72 Cb -0.04 -2.73 0.12 0.00 0.01 0.00 0.00 72.50 69.86 1j5c s THR 72 CO -0.01 0.28 0.66 -0.36 -0.69 0.00 0.00 174.62 174.49 1j5c s PHE 73 N 1.48 3.11 -0.17 4.92 0.40 -1.04 -4.88 117.98 121.80 1j5c s PHE 73 Ca 0.04 -1.12 -0.26 0.00 -0.60 0.00 0.00 56.93 54.99 1j5c s PHE 73 Cb -0.16 -3.95 -0.23 0.00 0.51 0.00 0.00 43.02 39.19 1j5c s PHE 73 CO -0.01 -1.21 0.56 1.15 0.70 0.00 0.00 175.22 176.41 1j5c h THR 74 N 5.86 1.46 -3.45 0.64 2.02 -1.89 0.41 112.91 117.97 1j5c h THR 74 Ca -0.27 -2.29 -0.54 0.00 0.77 0.00 0.00 66.41 64.09 1j5c h THR 74 Cb 1.09 2.95 -0.02 0.00 -1.74 0.00 0.00 68.15 70.42 1j5c h THR 74 CO 1.07 0.50 0.32 -0.70 0.37 0.00 0.00 175.52 177.08 1j5c s GLU 75 N -2.27 4.58 -1.14 6.66 2.12 -1.26 -4.28 118.70 123.10 1j5c s GLU 75 Ca -0.23 1.35 -0.22 0.00 0.36 0.00 0.00 54.97 56.24 1j5c s GLU 75 Cb 0.00 -3.43 -0.00 0.00 0.26 0.00 0.00 34.13 30.96 1j5c s GLU 75 CO 0.65 0.06 1.78 -1.25 -0.54 0.00 0.00 175.26 175.97 1j5c s PRO 76 N 0.61 3.19 0.00 4.30 0.04 -1.26 -4.82 135.00 137.06 1j5c s PRO 76 Ca 0.48 -1.27 0.00 0.00 0.04 0.00 0.00 61.00 60.25 1j5c s PRO 76 Cb -0.21 -5.33 0.00 0.00 0.04 0.00 0.00 34.50 29.00 1j5c s PRO 76 CO 0.27 -2.99 0.00 0.41 0.04 0.00 0.00 177.00 174.73 1j5c n GLY 77 N 6.07 5.27 2.60 0.56 0.00 -1.26 -4.95 105.19 113.48 1j5c n GLY 77 Ca 0.43 -1.45 -0.26 0.00 0.00 0.00 0.00 46.02 44.74 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 1.48 -0.14 0.39 2.61 2.01 -1.26 -2.80 115.64 117.93 1j5c s THR 78 Ca 0.00 -0.54 -0.11 0.00 0.31 0.00 0.00 61.69 61.35 1j5c s THR 78 Cb 0.00 -0.87 -0.07 0.00 0.01 0.00 0.00 72.50 71.57 1j5c s THR 78 CO 0.00 -0.56 0.76 -0.31 -0.69 0.00 0.00 174.62 173.83 1j5c s TYR 79 N 2.16 3.46 0.01 4.92 1.51 -1.12 -4.68 117.35 123.62 1j5c s TYR 79 Ca 0.07 1.06 -0.02 0.00 -1.01 0.00 0.00 57.07 57.18 1j5c s TYR 79 Cb -0.16 -2.45 -0.01 0.00 -0.11 0.00 0.00 41.96 39.23 1j5c s TYR 79 CO -0.29 -0.08 0.01 0.99 -1.11 0.00 0.00 175.55 175.08 1j5c s THR 80 N -2.32 0.10 -0.00 -0.71 2.01 -1.26 0.22 115.64 113.68 1j5c s THR 80 Ca 0.51 -0.81 -0.04 0.00 0.31 0.00 0.00 61.69 61.66 1j5c s THR 80 Cb -0.10 -0.29 -0.00 0.00 0.01 0.00 0.00 72.50 72.11 1j5c s THR 80 CO 0.30 -0.45 0.08 -0.72 -0.69 0.00 0.00 174.62 173.14 1j5c s TYR 81 N -1.36 0.07 0.00 4.92 1.13 -0.84 0.36 117.35 121.63 1j5c s TYR 81 Ca -0.15 -0.16 0.00 0.00 -1.41 0.00 0.00 57.07 55.35 1j5c s TYR 81 Cb -0.09 -0.07 0.00 0.00 -1.10 0.00 0.00 41.96 40.70 1j5c s TYR 81 CO -0.00 -0.21 0.12 2.48 -2.51 0.00 0.00 175.55 175.42 1j5c n TYR 82 N 1.84 0.00 0.00 -3.49 4.11 -1.09 -1.56 117.16 116.97 1j5c n TYR 82 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.69 1j5c n TYR 82 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.90 1j5c n TYR 82 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1j5c n GLU 84 N 0.00 -0.61 -0.86 0.00 1.02 -1.26 -4.24 120.64 114.68 1j5c n GLU 84 Ca 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.96 1j5c n GLU 84 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.34 1j5c n GLU 84 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1j5c n PRO 85 N -1.05 2.07 -2.88 3.49 -0.04 -1.26 -4.80 135.00 130.53 1j5c n PRO 85 Ca 0.00 -1.21 -0.38 0.00 -0.04 0.00 0.00 63.50 61.88 1j5c n PRO 85 Cb 0.00 -2.20 -0.06 0.00 -0.04 0.00 0.00 33.50 31.20 1j5c n PRO 85 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1j5c s HIS 86 N 2.10 3.77 0.00 0.54 -3.43 -1.26 -4.60 115.29 112.41 1j5c s HIS 86 Ca 0.51 1.69 0.00 0.00 -0.80 0.00 0.00 55.06 56.47 1j5c s HIS 86 Cb 0.19 -2.84 0.00 0.00 -1.43 0.00 0.00 32.58 28.51 1j5c s HIS 86 CO -0.02 0.34 0.00 0.54 -2.00 0.00 0.00 174.74 173.60 1j5c n ARG 87 N 0.94 0.00 0.00 -0.38 1.74 -1.26 -3.65 116.66 114.05 1j5c n ARG 87 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1j5c n ARG 87 Cb 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.93 1j5c n ARG 87 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j5c n GLY 88 N 0.00 -0.31 1.11 -0.13 0.00 -1.26 -5.09 105.19 99.51 1j5c n GLY 88 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 3.00 0.00 4.61 0.00 -1.24 -5.09 120.51 121.80 1j5c n ALA 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1j5c n ALA 89 Cb 0.00 0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.69 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 3.36 3.86 3.45 0.00 0.00 -1.26 -5.00 105.19 109.60 1j5c n GLY 90 Ca 0.00 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 45.11 1j5c n GLY 90 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1j5c n MET 91 N 0.00 -1.46 -4.11 1.61 0.00 -1.26 -4.72 117.12 107.19 1j5c n MET 91 Ca 0.00 0.86 -0.32 0.00 0.00 0.00 0.00 57.70 58.24 1j5c n MET 91 Cb 0.00 -1.83 -0.16 0.00 0.00 0.00 0.00 33.22 31.23 1j5c n MET 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 1j5c s VAL 92 N -2.25 1.90 0.41 1.12 -7.23 -1.26 -4.22 120.40 108.88 1j5c s VAL 92 Ca 0.13 -0.84 0.07 0.00 -1.81 0.00 0.00 61.98 59.53 1j5c s VAL 92 Cb -0.01 -1.74 -0.07 0.00 0.56 0.00 0.00 36.38 35.13 1j5c s VAL 92 CO 0.77 0.51 0.09 -0.83 -0.31 0.00 0.00 175.10 175.33 1j5c s GLY 93 N 1.33 2.41 -0.11 2.32 0.00 -0.60 -4.99 107.32 107.69 1j5c s GLY 93 Ca 0.05 -2.21 -0.04 0.00 0.00 0.00 0.00 44.72 42.52 1j5c s GLY 93 CO -0.12 -2.01 0.22 -1.59 0.00 0.00 0.00 173.10 169.61 1j5c s LYS 94 N -3.80 0.11 0.42 2.90 0.00 -1.13 -1.99 119.74 116.24 1j5c s LYS 94 Ca 0.38 0.67 -0.03 0.00 0.00 0.00 0.00 55.97 56.98 1j5c s LYS 94 Cb 0.07 -0.13 -0.04 0.00 0.00 0.00 0.00 37.83 37.73 1j5c s LYS 94 CO 0.20 -0.29 0.69 0.08 0.00 0.00 0.00 175.35 176.03 1j5c s VAL 95 N 2.31 4.98 -0.09 1.79 1.01 0.13 -4.14 120.40 126.39 1j5c s VAL 95 Ca 0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 1j5c s VAL 95 Cb -0.12 -3.85 0.05 0.00 0.00 0.00 0.00 36.38 32.46 1j5c s VAL 95 CO -0.07 -0.70 0.19 -0.69 0.00 0.00 0.00 175.10 173.83 1j5c s VAL 96 N -2.53 -0.22 0.63 2.92 1.01 -1.14 -2.79 120.40 118.29 1j5c s VAL 96 Ca 0.45 0.27 -0.01 0.00 0.00 0.00 0.00 61.98 62.69 1j5c s VAL 96 Cb -0.10 -0.32 0.06 0.00 0.00 0.00 0.00 36.38 36.02 1j5c s VAL 96 CO 0.40 0.11 0.89 -0.69 0.00 0.00 0.00 175.10 175.82 1j5c s VAL 97 N 1.93 2.44 0.00 2.92 1.01 -1.12 -0.92 120.40 126.66 1j5c s VAL 97 Ca -0.02 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1j5c s VAL 97 Cb -0.12 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.37 1j5c s VAL 97 CO -0.07 0.00 0.27 -0.67 0.00 0.00 0.00 175.10 174.64