#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 5.70 0.32 0.00 2.20 -1.26 -5.00 114.94 116.90 1j5c s ASN 2 Ca 0.00 1.68 -0.10 0.00 -0.94 0.00 0.00 52.86 53.50 1j5c s ASN 2 Cb 0.00 -2.51 -0.07 0.00 -2.00 0.00 0.00 41.25 36.67 1j5c s ASN 2 CO 0.00 -1.22 0.67 0.00 -2.94 0.00 0.00 177.10 173.61 1j5c s ALA 3 N -2.78 3.44 0.06 3.54 0.00 -1.18 -5.00 121.76 119.84 1j5c s ALA 3 Ca 0.60 -0.22 -0.08 0.00 0.00 0.00 0.00 51.96 52.26 1j5c s ALA 3 Cb -0.14 -2.59 -0.00 0.00 0.00 0.00 0.00 23.12 20.39 1j5c s ALA 3 CO 0.46 0.24 0.16 -0.08 0.00 0.00 0.00 175.76 176.53 1j5c s THR 4 N -2.10 0.14 -0.04 0.00 -1.32 -1.26 -2.33 115.64 108.73 1j5c s THR 4 Ca 0.50 -1.12 -0.08 0.00 -1.21 0.00 0.00 61.69 59.78 1j5c s THR 4 Cb -0.11 -1.14 0.01 0.00 -1.51 0.00 0.00 72.50 69.76 1j5c s THR 4 CO 0.25 -0.62 0.18 -0.69 -2.21 0.00 0.00 174.62 171.54 1j5c s VAL 5 N -3.23 0.04 -0.19 5.08 1.01 0.15 -4.78 120.40 118.49 1j5c s VAL 5 Ca 0.00 -0.32 -0.14 0.00 0.00 0.00 0.00 61.98 61.52 1j5c s VAL 5 Cb 0.02 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 1j5c s VAL 5 CO -0.07 -0.18 0.31 -1.59 0.00 0.00 0.00 175.10 173.57 1j5c s LYS 6 N -0.62 4.19 -0.82 2.72 -2.85 -1.20 -2.19 119.74 118.96 1j5c s LYS 6 Ca -0.07 0.06 -0.25 0.00 -1.00 0.00 0.00 55.97 54.71 1j5c s LYS 6 Cb -0.04 -3.49 -0.09 0.00 -2.06 0.00 0.00 37.83 32.14 1j5c s LYS 6 CO 0.01 0.09 2.19 -1.64 0.10 0.00 0.00 175.35 176.11 1j5c s MET 7 N 0.92 2.06 0.00 1.78 -1.94 0.64 -3.96 119.30 118.80 1j5c s MET 7 Ca 0.16 0.19 0.00 0.00 -1.71 0.00 0.00 55.69 54.32 1j5c s MET 7 Cb -0.14 -4.89 0.00 0.00 2.01 0.00 0.00 34.83 31.82 1j5c s MET 7 CO 0.05 -3.89 0.00 0.41 -0.01 0.00 0.00 175.02 171.58 1j5c n GLY 8 N 6.77 0.47 3.19 -0.03 0.00 -1.25 -3.33 105.19 111.00 1j5c n GLY 8 Ca 0.43 -1.78 -0.11 0.00 0.00 0.00 0.00 46.02 44.55 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 -4.00 1.26 0.07 1.61 0.15 -1.24 -3.16 113.70 108.38 1j5c s SER 9 Ca 0.00 -1.02 -0.16 0.00 0.70 0.00 0.00 55.95 55.47 1j5c s SER 9 Cb 0.00 0.08 -0.05 0.00 -1.71 0.00 0.00 66.02 64.34 1j5c s SER 9 CO 0.00 -0.45 1.26 0.44 1.20 0.00 0.00 173.24 175.69 1j5c h ASP 10 N 2.91 -0.94 -0.47 5.45 5.19 -1.95 -0.31 116.42 126.30 1j5c h ASP 10 Ca -0.36 0.13 0.08 0.00 -0.62 0.00 0.00 57.03 56.27 1j5c h ASP 10 Cb 1.17 0.39 -0.07 0.00 0.18 0.00 0.00 39.33 41.00 1j5c h ASP 10 CO 0.64 -0.18 0.04 0.28 -3.12 0.00 0.00 179.24 176.91 1j5c h SER 11 N -0.15 -0.11 0.00 6.45 0.02 -2.01 -3.47 113.55 114.29 1j5c h SER 11 Ca 0.05 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1j5c h SER 11 Cb 0.27 0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1j5c h SER 11 CO -0.33 -0.02 0.00 0.61 -1.14 0.00 0.00 176.83 175.95 1j5c n GLY 12 N -1.29 0.45 3.99 -3.77 0.00 -0.13 -4.94 105.19 99.51 1j5c n GLY 12 Ca 0.05 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.37 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 4.62 1.00 4.61 0.00 -1.26 -4.82 121.76 125.91 1j5c s ALA 13 Ca 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.09 1j5c s ALA 13 Cb 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 23.12 21.88 1j5c s ALA 13 CO 0.00 -0.71 0.00 1.28 0.00 0.00 0.00 175.76 176.33 1j5c n LEU 14 N -2.08 0.00 -0.86 0.00 4.32 -1.26 -3.66 117.00 113.46 1j5c n LEU 14 Ca 0.10 0.00 0.11 0.00 -0.02 0.00 0.00 56.01 56.20 1j5c n LEU 14 Cb 0.62 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.39 1j5c n LEU 14 CO 0.40 -0.33 -0.17 1.33 -1.22 0.00 0.00 177.39 177.39 1j5c n VAL 15 N -0.91 0.00 -4.81 4.08 0.24 -1.26 -4.56 118.33 111.12 1j5c n VAL 15 Ca 0.00 0.07 -0.25 0.00 -2.04 0.00 0.00 64.34 62.12 1j5c n VAL 15 Cb 0.00 -0.34 -0.15 0.00 -1.47 0.00 0.00 33.84 31.88 1j5c n VAL 15 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1j5c s PHE 16 N -2.04 1.66 -0.04 6.34 0.08 -1.03 -3.87 117.98 119.09 1j5c s PHE 16 Ca 0.00 -0.33 0.01 0.00 0.12 0.00 0.00 56.93 56.73 1j5c s PHE 16 Cb 0.00 -1.05 0.02 0.00 -0.57 0.00 0.00 43.02 41.43 1j5c s PHE 16 CO 0.00 0.00 -0.03 -1.21 -0.10 0.00 0.00 175.22 173.88 1j5c s GLU 17 N -0.63 0.61 0.18 0.44 0.41 -1.19 -0.96 118.70 117.55 1j5c s GLU 17 Ca 0.07 -0.05 -0.30 0.00 -0.41 0.00 0.00 54.97 54.28 1j5c s GLU 17 Cb -0.07 -0.68 -0.08 0.00 -1.78 0.00 0.00 34.13 31.52 1j5c s GLU 17 CO -0.00 -0.09 1.12 -1.25 -0.49 0.00 0.00 175.26 174.55 1j5c s PRO 18 N 0.87 4.57 0.13 0.39 0.04 -1.26 -3.27 135.00 136.47 1j5c s PRO 18 Ca -0.11 1.75 -0.22 0.00 0.04 0.00 0.00 61.00 62.46 1j5c s PRO 18 Cb -0.14 -3.27 -0.03 0.00 0.04 0.00 0.00 34.50 31.11 1j5c s PRO 18 CO -0.00 0.03 1.67 0.77 0.04 0.00 0.00 177.00 179.51 1j5c h SER 19 N 5.17 -0.45 -3.49 6.66 0.02 -1.39 -3.41 113.55 116.66 1j5c h SER 19 Ca -0.44 0.08 -0.68 0.00 -0.84 0.00 0.00 61.79 59.91 1j5c h SER 19 Cb 1.21 0.21 -0.18 0.00 0.14 0.00 0.00 62.40 63.79 1j5c h SER 19 CO 0.73 -0.19 -0.66 -0.89 -1.14 0.00 0.00 176.83 174.68 1j5c s THR 20 N -6.15 3.97 -0.00 -2.27 2.01 -1.25 -1.45 115.64 110.50 1j5c s THR 20 Ca -0.14 -0.37 -0.03 0.00 0.31 0.00 0.00 61.69 61.46 1j5c s THR 20 Cb 0.10 -2.66 -0.00 0.00 0.01 0.00 0.00 72.50 69.95 1j5c s THR 20 CO 0.68 0.59 0.06 0.68 -0.69 0.00 0.00 174.62 175.93 1j5c s VAL 21 N -0.71 0.06 -0.03 3.82 -7.23 -1.24 -5.04 120.40 110.04 1j5c s VAL 21 Ca 0.11 -0.46 -0.14 0.00 -1.81 0.00 0.00 61.98 59.67 1j5c s VAL 21 Cb -0.11 -0.24 -0.05 0.00 0.56 0.00 0.00 36.38 36.53 1j5c s VAL 21 CO 0.02 -0.26 0.38 0.42 -0.31 0.00 0.00 175.10 175.36 1j5c s THR 22 N -0.80 5.09 0.06 5.32 -4.23 -1.26 -2.84 115.64 116.98 1j5c s THR 22 Ca -0.09 0.78 -0.03 0.00 -1.18 0.00 0.00 61.69 61.17 1j5c s THR 22 Cb -0.05 -3.69 -0.03 0.00 1.34 0.00 0.00 72.50 70.07 1j5c s THR 22 CO 0.00 0.55 0.03 -0.51 -0.54 0.00 0.00 174.62 174.15 1j5c s ILE 23 N -0.86 0.20 0.34 2.99 2.07 -0.96 -4.68 121.20 120.30 1j5c s ILE 23 Ca 0.23 -1.63 0.02 0.00 -1.41 0.00 0.00 60.65 57.86 1j5c s ILE 23 Cb -0.16 -1.46 -0.02 0.00 0.13 0.00 0.00 42.46 40.94 1j5c s ILE 23 CO 0.12 -0.90 0.52 -0.54 -1.91 0.00 0.00 174.94 172.23 1j5c s LYS 24 N -3.88 3.37 -1.08 3.50 -0.14 -1.26 0.21 119.74 120.45 1j5c s LYS 24 Ca 0.06 -0.52 -0.22 0.00 -1.36 0.00 0.00 55.97 53.93 1j5c s LYS 24 Cb 0.07 -2.71 0.04 0.00 -1.68 0.00 0.00 37.83 33.55 1j5c s LYS 24 CO -0.10 0.13 1.61 0.00 -0.76 0.00 0.00 175.35 176.22 1j5c s ALA 25 N -2.27 2.69 0.00 5.17 0.00 -1.25 -2.46 121.76 123.64 1j5c s ALA 25 Ca 0.41 -2.33 0.00 0.00 0.00 0.00 0.00 51.96 50.04 1j5c s ALA 25 Cb -0.10 -4.57 0.00 0.00 0.00 0.00 0.00 23.12 18.45 1j5c s ALA 25 CO 0.34 -3.77 0.00 0.41 0.00 0.00 0.00 175.76 172.74 1j5c n GLY 26 N 6.46 0.91 3.18 0.00 0.00 0.57 -4.88 105.19 111.43 1j5c n GLY 26 Ca 0.38 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.17 -4.47 1.61 -0.58 -1.03 -4.57 120.64 109.44 1j5c n GLU 27 Ca 0.00 -1.63 -0.23 0.00 -0.42 0.00 0.00 57.16 54.88 1j5c n GLU 27 Cb 0.00 -1.33 -0.09 0.00 -0.57 0.00 0.00 31.44 29.44 1j5c n GLU 27 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 1j5c s GLU 28 N -5.31 1.76 0.01 3.49 1.03 -1.26 0.12 118.70 118.54 1j5c s GLU 28 Ca 0.63 -2.03 0.04 0.00 0.03 0.00 0.00 54.97 53.64 1j5c s GLU 28 Cb -0.04 -0.69 -0.01 0.00 -0.80 0.00 0.00 34.13 32.58 1j5c s GLU 28 CO 0.47 -0.34 -0.12 0.08 -1.33 0.00 0.00 175.26 174.03 1j5c s VAL 29 N -3.30 0.91 -0.15 1.83 1.01 0.74 -3.07 120.40 118.36 1j5c s VAL 29 Ca 0.30 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1j5c s VAL 29 Cb 0.06 -0.79 -0.00 0.00 0.00 0.00 0.00 36.38 35.64 1j5c s VAL 29 CO 0.15 0.13 -0.15 -0.75 0.00 0.00 0.00 175.10 174.47 1j5c s LYS 30 N -0.61 3.22 -0.42 2.72 2.20 -0.98 -1.75 119.74 124.12 1j5c s LYS 30 Ca 0.02 -0.75 -0.04 0.00 -0.36 0.00 0.00 55.97 54.85 1j5c s LYS 30 Cb -0.06 -2.62 0.11 0.00 -1.51 0.00 0.00 37.83 33.75 1j5c s LYS 30 CO 0.00 0.02 0.22 -1.58 -0.36 0.00 0.00 175.35 173.66 1j5c s TRP 31 N 0.80 3.57 0.16 4.03 0.51 -1.01 -0.67 118.94 126.32 1j5c s TRP 31 Ca -0.05 -2.34 -0.17 0.00 -2.12 0.00 0.00 56.10 51.41 1j5c s TRP 31 Cb -0.15 -3.26 -0.07 0.00 -0.81 0.00 0.00 33.47 29.17 1j5c s TRP 31 CO 0.00 -0.98 0.62 0.08 -0.51 0.00 0.00 176.95 176.16 1j5c s VAL 32 N 1.17 4.72 -0.24 4.03 1.01 -0.93 -2.84 120.40 127.32 1j5c s VAL 32 Ca 0.08 1.09 -0.29 0.00 0.00 0.00 0.00 61.98 62.86 1j5c s VAL 32 Cb -0.23 -3.82 0.01 0.00 0.00 0.00 0.00 36.38 32.33 1j5c s VAL 32 CO -0.04 0.31 1.06 0.20 0.00 0.00 0.00 175.10 176.63 1j5c s ASN 33 N -1.55 7.05 0.00 3.32 0.01 -1.24 -0.26 114.94 122.27 1j5c s ASN 33 Ca 0.38 1.33 0.00 0.00 -0.71 0.00 0.00 52.86 53.86 1j5c s ASN 33 Cb -0.17 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 38.95 1j5c s ASN 33 CO 0.20 -0.72 0.00 -3.20 -1.51 0.00 0.00 177.10 171.87 1j5c n ASN 34 N 6.46 0.00 0.00 -1.22 2.85 -1.21 -4.53 115.26 117.60 1j5c n ASN 34 Ca 0.12 0.33 0.00 0.00 -0.11 0.00 0.00 54.58 54.92 1j5c n ASN 34 Cb 0.46 -0.44 0.00 0.00 1.24 0.00 0.00 39.78 41.04 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 -1.97 0.00 -3.91 1.20 3.00 -1.25 -4.80 118.16 110.43 1j5c n LYS 35 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.93 1j5c n LYS 35 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.05 1j5c n LYS 35 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1j5c n LEU 36 N 0.00 -1.32 -4.89 3.14 -0.00 -1.26 -4.87 117.00 107.80 1j5c n LEU 36 Ca 0.00 -1.14 -0.29 0.00 -0.00 0.00 0.00 56.01 54.58 1j5c n LEU 36 Cb 0.00 -1.84 0.01 0.00 -0.00 0.00 0.00 43.42 41.59 1j5c n LEU 36 CO 0.00 0.60 0.59 -0.44 -0.00 0.00 0.00 177.39 178.14 1j5c s SER 37 N -3.39 6.22 1.03 1.45 0.01 -1.26 -4.52 113.70 113.25 1j5c s SER 37 Ca 0.38 1.18 -0.05 0.00 1.31 0.00 0.00 55.95 58.77 1j5c s SER 37 Cb -0.19 -2.35 0.07 0.00 0.21 0.00 0.00 66.02 63.76 1j5c s SER 37 CO 0.93 -0.75 0.32 -0.81 0.41 0.00 0.00 173.24 173.34 1j5c n PRO 38 N -2.53 -0.96 -3.25 12.44 -0.04 -1.26 -5.08 135.00 134.33 1j5c n PRO 38 Ca 0.03 -0.50 -0.04 0.00 -0.04 0.00 0.00 63.50 62.95 1j5c n PRO 38 Cb 0.55 -0.39 -0.04 0.00 -0.04 0.00 0.00 33.50 33.58 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 -1.64 -1.30 0.11 0.54 3.76 -1.21 -4.99 115.29 110.55 1j5c s HIS 39 Ca 0.19 0.41 -0.10 0.00 -0.15 0.00 0.00 55.06 55.41 1j5c s HIS 39 Cb -0.01 0.03 -0.06 0.00 1.11 0.00 0.00 32.58 33.65 1j5c s HIS 39 CO 0.14 -1.05 0.43 -0.80 -0.85 0.00 0.00 174.74 172.62 1j5c s ASN 40 N 2.39 6.64 -0.64 1.40 0.01 -1.26 -4.22 114.94 119.26 1j5c s ASN 40 Ca 0.12 0.82 0.05 0.00 -0.71 0.00 0.00 52.86 53.13 1j5c s ASN 40 Cb -0.11 -2.19 0.17 0.00 0.41 0.00 0.00 41.25 39.53 1j5c s ASN 40 CO -0.22 0.12 0.45 -0.63 -1.51 0.00 0.00 177.10 175.31 1j5c s ILE 41 N -1.48 2.40 0.26 0.60 1.01 -1.26 -4.21 121.20 118.53 1j5c s ILE 41 Ca 0.36 -3.91 -0.15 0.00 0.00 0.00 0.00 60.65 56.95 1j5c s ILE 41 Cb -0.14 -2.59 -0.08 0.00 0.01 0.00 0.00 42.46 39.66 1j5c s ILE 41 CO 0.19 -1.03 0.68 -0.69 0.00 0.00 0.00 174.94 174.10 1j5c s VAL 42 N -1.09 4.71 -0.07 2.92 1.01 -1.26 -1.37 120.40 125.25 1j5c s VAL 42 Ca 0.26 0.95 0.03 0.00 0.00 0.00 0.00 61.98 63.22 1j5c s VAL 42 Cb -0.05 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1j5c s VAL 42 CO -0.16 -0.02 -0.17 -0.36 0.00 0.00 0.00 175.10 174.40 1j5c s PHE 43 N -1.78 1.86 0.60 5.22 0.40 -1.26 -2.54 117.98 120.48 1j5c s PHE 43 Ca 0.48 -0.67 -0.10 0.00 -0.60 0.00 0.00 56.93 56.04 1j5c s PHE 43 Cb -0.13 -1.29 -0.04 0.00 0.51 0.00 0.00 43.02 42.08 1j5c s PHE 43 CO 0.19 -0.29 0.99 0.00 0.70 0.00 0.00 175.22 176.81 1j5c s ALA 44 N 0.39 3.15 -0.67 5.36 0.00 -0.56 -4.71 121.76 124.71 1j5c s ALA 44 Ca -0.13 -0.18 0.05 0.00 0.00 0.00 0.00 51.96 51.71 1j5c s ALA 44 Cb -0.15 -2.98 0.20 0.00 0.00 0.00 0.00 23.12 20.19 1j5c s ALA 44 CO 0.05 -0.65 0.60 0.00 0.00 0.00 0.00 175.76 175.76 1j5c n ALA 45 N -2.67 3.66 -0.15 0.00 0.00 -1.26 -4.53 120.51 115.56 1j5c n ALA 45 Ca 0.05 -4.59 0.00 0.00 0.00 0.00 0.00 53.44 48.90 1j5c n ALA 45 Cb 0.54 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.02 1j5c n ALA 45 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1j5c n ASP 46 N 1.51 0.00 -1.23 0.00 8.00 -1.26 -4.58 116.55 118.99 1j5c n ASP 46 Ca 0.24 0.09 0.07 0.00 0.71 0.00 0.00 54.79 55.90 1j5c n ASP 46 Cb 0.38 -0.43 0.26 0.00 -0.02 0.00 0.00 41.12 41.31 1j5c n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j5c n GLY 47 N 1.74 2.00 3.18 0.44 0.00 -1.26 -4.88 105.19 106.41 1j5c n GLY 47 Ca 0.00 -0.61 -0.16 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.77 1.02 1.01 1.61 1.01 -1.26 -4.87 120.40 117.15 1j5c s VAL 48 Ca 0.37 -1.57 -0.13 0.00 0.00 0.00 0.00 61.98 60.65 1j5c s VAL 48 Cb 0.24 -1.30 0.13 0.00 0.00 0.00 0.00 36.38 35.45 1j5c s VAL 48 CO 0.18 -0.47 0.73 0.47 0.00 0.00 0.00 175.10 176.01 1j5c n ASP 49 N 0.72 -1.18 -0.00 3.32 8.00 -1.26 -4.70 116.55 121.45 1j5c n ASP 49 Ca -0.17 0.21 -0.17 0.00 0.71 0.00 0.00 54.79 55.37 1j5c n ASP 49 Cb 0.57 -1.28 -0.13 0.00 -0.02 0.00 0.00 41.12 40.26 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 -1.97 0.00 -0.40 2.24 0.00 -1.98 -1.67 119.26 115.48 1j5c h ALA 50 Ca -0.48 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 53.86 1j5c h ALA 50 Cb 1.30 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1j5c h ALA 50 CO 0.40 0.23 0.23 -0.44 0.00 0.00 0.00 179.25 179.67 1j5c h ASP 51 N -0.43 0.49 0.64 0.00 3.32 -1.98 0.34 116.42 118.80 1j5c h ASP 51 Ca -0.07 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 56.88 1j5c h ASP 51 Cb 1.28 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 40.71 1j5c h ASP 51 CO 0.09 0.42 -0.31 0.74 -1.72 0.00 0.00 179.24 178.47 1j5c h THR 52 N 0.53 0.00 -1.00 0.35 2.02 -1.94 -1.62 112.91 111.25 1j5c h THR 52 Ca 0.14 -0.04 0.23 0.00 0.77 0.00 0.00 66.41 67.51 1j5c h THR 52 Cb 0.03 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.34 1j5c h THR 52 CO -0.03 0.00 0.63 0.00 0.37 0.00 0.00 175.52 176.49 1j5c h ALA 53 N -1.57 1.96 -0.12 6.16 0.00 -1.28 0.19 119.26 124.60 1j5c h ALA 53 Ca -0.09 0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1j5c h ALA 53 Cb 0.66 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1j5c h ALA 53 CO 0.14 -0.34 -0.15 0.00 0.00 0.00 0.00 179.25 178.90 1j5c h ALA 54 N 1.64 -0.08 0.21 0.00 0.00 -0.04 1.57 119.26 122.58 1j5c h ALA 54 Ca 0.58 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.54 1j5c h ALA 54 Cb 1.19 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 1j5c h ALA 54 CO -0.33 -0.60 -0.21 -0.22 0.00 0.00 0.00 179.25 177.88 1j5c h LYS 55 N -0.19 -0.44 0.00 0.00 3.64 0.30 0.10 116.57 119.99 1j5c h LYS 55 Ca 0.09 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1j5c h LYS 55 Cb 0.32 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1j5c h LYS 55 CO -0.23 -0.29 0.00 1.28 -2.27 0.00 0.00 179.45 177.94 1j5c n LEU 56 N -5.33 0.63 -4.58 5.20 4.32 -0.45 -4.44 117.00 112.35 1j5c n LEU 56 Ca -0.08 0.72 -0.43 0.00 -0.02 0.00 0.00 56.01 56.21 1j5c n LEU 56 Cb 0.25 -0.72 -0.05 0.00 -1.62 0.00 0.00 43.42 41.28 1j5c n LEU 56 CO 0.30 -0.79 0.63 -0.55 -1.22 0.00 0.00 177.39 175.76 1j5c s SER 57 N -4.16 6.53 -0.62 -1.43 0.15 0.53 -4.60 113.70 110.11 1j5c s SER 57 Ca 0.01 0.25 -0.27 0.00 0.70 0.00 0.00 55.95 56.63 1j5c s SER 57 Cb 0.08 -2.41 0.03 0.00 -1.71 0.00 0.00 66.02 62.01 1j5c s SER 57 CO 0.29 -0.84 1.19 -1.00 1.20 0.00 0.00 173.24 174.08 1j5c s HIS 58 N 3.30 2.54 -0.56 3.44 3.76 -0.47 -4.86 115.29 122.44 1j5c s HIS 58 Ca 0.33 0.24 0.01 0.00 -0.15 0.00 0.00 55.06 55.48 1j5c s HIS 58 Cb -0.12 -4.50 0.54 0.00 1.11 0.00 0.00 32.58 29.61 1j5c s HIS 58 CO 0.20 -1.69 1.95 1.63 -0.85 0.00 0.00 174.74 175.98 1j5c n LYS 59 N 8.58 2.51 0.00 1.40 5.02 -1.26 -4.10 118.16 130.30 1j5c n LYS 59 Ca 0.06 -3.19 0.00 0.00 -2.02 0.00 0.00 58.31 53.16 1j5c n LYS 59 Cb 0.49 -2.23 0.00 0.00 -0.02 0.00 0.00 35.03 33.27 1j5c n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j5c n GLY 60 N -1.02 2.70 3.62 0.72 0.00 -1.26 -5.15 105.19 104.80 1j5c n GLY 60 Ca 0.60 -1.80 -0.03 0.00 0.00 0.00 0.00 46.02 44.80 1j5c n GLY 60 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1j5c s LEU 61 N 0.00 -0.95 0.22 0.99 2.96 -1.26 -4.95 118.68 115.69 1j5c s LEU 61 Ca 0.00 1.39 0.08 0.00 -0.22 0.00 0.00 54.13 55.38 1j5c s LEU 61 Cb 0.00 2.21 -0.04 0.00 0.50 0.00 0.00 46.19 48.86 1j5c s LEU 61 CO 0.00 -0.21 0.05 0.00 -1.32 0.00 0.00 176.35 174.88 1j5c s ALA 62 N 2.23 3.31 0.00 5.97 0.00 -1.26 -5.00 121.76 127.01 1j5c s ALA 62 Ca -0.07 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 50.44 1j5c s ALA 62 Cb -0.08 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 22.01 1j5c s ALA 62 CO -0.19 0.37 0.00 1.19 0.00 0.00 0.00 175.76 177.13 1j5c n PHE 63 N -0.60 -1.17 -2.98 0.00 3.72 -1.26 -3.34 117.46 111.83 1j5c n PHE 63 Ca -0.08 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.93 1j5c n PHE 63 Cb 0.57 0.32 -0.06 0.00 -0.94 0.00 0.00 39.48 39.37 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 -1.63 3.41 -0.31 4.37 0.00 -1.26 -4.72 121.76 121.62 1j5c s ALA 64 Ca 0.00 0.35 -0.05 0.00 0.00 0.00 0.00 51.96 52.25 1j5c s ALA 64 Cb 0.00 -2.96 -0.11 0.00 0.00 0.00 0.00 23.12 20.05 1j5c s ALA 64 CO 0.00 0.29 3.20 0.00 0.00 0.00 0.00 175.76 179.25 1j5c n ALA 65 N 1.30 6.48 0.00 0.00 0.00 -1.26 -3.60 120.51 123.43 1j5c n ALA 65 Ca -0.04 -2.49 0.00 0.00 0.00 0.00 0.00 53.44 50.91 1j5c n ALA 65 Cb 0.49 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 1.85 0.00 3.78 0.00 0.00 -1.26 -4.87 105.19 104.69 1j5c n GLY 66 Ca 0.48 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.47 4.30 -0.05 1.61 0.41 -1.24 -4.91 118.70 117.36 1j5c s GLU 67 Ca 0.00 1.44 -0.07 0.00 -0.41 0.00 0.00 54.97 55.93 1j5c s GLU 67 Cb 0.00 -2.61 0.01 0.00 -1.78 0.00 0.00 34.13 29.76 1j5c s GLU 67 CO 0.00 -0.00 0.19 -1.54 -0.49 0.00 0.00 175.26 173.41 1j5c s SER 68 N -1.60 -0.14 0.54 -0.19 1.04 -1.26 -3.72 113.70 108.37 1j5c s SER 68 Ca 0.56 0.20 0.04 0.00 0.48 0.00 0.00 55.95 57.23 1j5c s SER 68 Cb -0.20 0.34 0.05 0.00 0.10 0.00 0.00 66.02 66.31 1j5c s SER 68 CO 0.26 -0.18 0.75 -0.36 0.98 0.00 0.00 173.24 174.69 1j5c s PHE 69 N -0.42 2.41 -0.02 5.02 0.08 -1.13 -4.93 117.98 118.98 1j5c s PHE 69 Ca -0.05 -0.29 -0.08 0.00 0.12 0.00 0.00 56.93 56.63 1j5c s PHE 69 Cb -0.03 -2.59 0.01 0.00 -0.57 0.00 0.00 43.02 39.83 1j5c s PHE 69 CO 0.01 -0.92 0.18 0.99 -0.10 0.00 0.00 175.22 175.38 1j5c s THR 70 N -2.69 0.05 -0.09 0.64 2.01 -1.26 -2.40 115.64 111.92 1j5c s THR 70 Ca 0.59 -0.45 -0.04 0.00 0.31 0.00 0.00 61.69 62.10 1j5c s THR 70 Cb -0.09 -0.41 0.05 0.00 0.01 0.00 0.00 72.50 72.06 1j5c s THR 70 CO 0.38 -0.25 0.18 -0.94 -0.69 0.00 0.00 174.62 173.31 1j5c s SER 71 N -0.91 0.24 -0.15 3.53 1.04 -0.72 -4.95 113.70 111.80 1j5c s SER 71 Ca -0.10 0.39 -0.23 0.00 0.48 0.00 0.00 55.95 56.49 1j5c s SER 71 Cb -0.05 0.33 -0.03 0.00 0.10 0.00 0.00 66.02 66.37 1j5c s SER 71 CO 0.01 -0.20 0.71 -0.89 0.98 0.00 0.00 173.24 173.86 1j5c s THR 72 N 1.78 4.99 -0.64 2.02 2.01 -1.26 -0.19 115.64 124.34 1j5c s THR 72 Ca -0.03 1.40 -0.19 0.00 0.31 0.00 0.00 61.69 63.18 1j5c s THR 72 Cb -0.12 -4.03 0.11 0.00 0.01 0.00 0.00 72.50 68.47 1j5c s THR 72 CO -0.07 0.13 0.77 -0.36 -0.69 0.00 0.00 174.62 174.41 1j5c s PHE 73 N 1.62 3.02 -0.23 4.92 0.40 0.32 -4.85 117.98 123.18 1j5c s PHE 73 Ca 0.34 -1.02 -0.19 0.00 -0.60 0.00 0.00 56.93 55.46 1j5c s PHE 73 Cb -0.17 -4.06 -0.17 0.00 0.51 0.00 0.00 43.02 39.14 1j5c s PHE 73 CO 0.13 -1.33 0.03 2.41 0.70 0.00 0.00 175.22 177.16 1j5c n THR 74 N 5.48 1.53 -2.25 0.64 -1.04 -1.26 0.21 114.28 117.60 1j5c n THR 74 Ca -0.05 -0.14 -0.43 0.00 -2.04 0.00 0.00 64.05 61.39 1j5c n THR 74 Cb 0.44 -1.99 -0.02 0.00 -1.82 0.00 0.00 70.33 66.93 1j5c n THR 74 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1j5c s GLU 75 N -2.41 4.22 -1.21 -2.82 -6.30 -1.26 -4.34 118.70 104.58 1j5c s GLU 75 Ca -0.32 1.89 -0.09 0.00 -2.50 0.00 0.00 54.97 53.95 1j5c s GLU 75 Cb 0.09 -3.83 -0.07 0.00 0.00 0.00 0.00 34.13 30.32 1j5c s GLU 75 CO 0.56 -0.75 2.44 -0.35 0.02 0.00 0.00 175.26 177.18 1j5c n PRO 76 N 6.70 2.72 0.00 4.30 -0.04 -1.26 -4.71 135.00 142.71 1j5c n PRO 76 Ca 0.15 -1.82 0.00 0.00 -0.04 0.00 0.00 63.50 61.79 1j5c n PRO 76 Cb 0.44 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 1j5c n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j5c n GLY 77 N 3.75 5.03 2.67 0.55 0.00 -1.26 -4.83 105.19 111.11 1j5c n GLY 77 Ca 0.58 -1.66 -0.22 0.00 0.00 0.00 0.00 46.02 44.72 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 3.50 -0.22 0.35 2.61 2.01 -1.26 0.38 115.64 123.01 1j5c s THR 78 Ca 0.00 -0.31 -0.11 0.00 0.31 0.00 0.00 61.69 61.57 1j5c s THR 78 Cb 0.00 -0.76 -0.07 0.00 0.01 0.00 0.00 72.50 71.68 1j5c s THR 78 CO 0.00 -0.37 0.72 -0.31 -0.69 0.00 0.00 174.62 173.96 1j5c s TYR 79 N 2.24 3.44 0.06 4.92 1.51 -0.85 -4.83 117.35 123.84 1j5c s TYR 79 Ca 0.06 1.04 0.04 0.00 -1.01 0.00 0.00 57.07 57.21 1j5c s TYR 79 Cb -0.16 -2.42 -0.03 0.00 -0.11 0.00 0.00 41.96 39.25 1j5c s TYR 79 CO -0.19 0.02 -0.13 0.99 -1.11 0.00 0.00 175.55 175.13 1j5c s THR 80 N -2.17 0.98 0.02 -0.71 2.01 -1.26 -0.57 115.64 113.94 1j5c s THR 80 Ca 0.51 -1.23 -0.11 0.00 0.31 0.00 0.00 61.69 61.17 1j5c s THR 80 Cb -0.10 -0.96 0.01 0.00 0.01 0.00 0.00 72.50 71.46 1j5c s THR 80 CO 0.26 -0.24 0.23 -0.72 -0.69 0.00 0.00 174.62 173.46 1j5c s TYR 81 N -1.26 -0.04 -0.29 4.92 -0.85 -1.17 -1.50 117.35 117.16 1j5c s TYR 81 Ca -0.03 -0.05 -0.02 0.00 -0.52 0.00 0.00 57.07 56.45 1j5c s TYR 81 Cb -0.10 0.02 0.18 0.00 0.38 0.00 0.00 41.96 42.44 1j5c s TYR 81 CO 0.02 -0.40 0.56 1.52 -1.52 0.00 0.00 175.55 175.73 1j5c s TYR 82 N -1.94 -1.46 -0.79 -3.49 1.13 -1.05 -4.23 117.35 105.52 1j5c s TYR 82 Ca -0.10 1.59 -0.32 0.00 -1.41 0.00 0.00 57.07 56.83 1j5c s TYR 82 Cb -0.04 0.48 -0.18 0.00 -1.10 0.00 0.00 41.96 41.12 1j5c s TYR 82 CO -0.00 -0.84 2.54 0.00 -2.51 0.00 0.00 175.55 174.73 1j5c h GLU 84 N 13.06 -0.12 -2.82 0.00 4.81 -1.92 -3.35 114.58 124.24 1j5c h GLU 84 Ca -0.11 0.01 -0.35 0.00 -0.13 0.00 0.00 59.36 58.78 1j5c h GLU 84 Cb 1.32 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.71 1j5c h GLU 84 CO 1.28 0.29 1.73 -0.35 -0.73 0.00 0.00 179.01 181.22 1j5c n PRO 85 N -4.82 2.23 -4.41 0.92 -0.04 -1.26 -4.83 135.00 122.79 1j5c n PRO 85 Ca -0.06 -1.33 -0.31 0.00 -0.04 0.00 0.00 63.50 61.76 1j5c n PRO 85 Cb 0.22 -2.29 -0.11 0.00 -0.04 0.00 0.00 33.50 31.29 1j5c n PRO 85 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1j5c s HIS 86 N 2.29 2.73 0.09 0.54 2.46 -1.26 -4.85 115.29 117.29 1j5c s HIS 86 Ca 0.52 -0.15 -0.29 0.00 0.47 0.00 0.00 55.06 55.60 1j5c s HIS 86 Cb 0.18 -1.49 -0.13 0.00 -0.13 0.00 0.00 32.58 31.01 1j5c s HIS 86 CO -0.03 0.36 1.65 0.00 -2.47 0.00 0.00 174.74 174.25 1j5c h ARG 87 N 4.13 -0.55 0.00 2.88 3.08 -1.94 -3.40 114.38 118.57 1j5c h ARG 87 Ca -0.48 0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.60 1j5c h ARG 87 Cb 1.16 0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.34 1j5c h ARG 87 CO 0.51 -0.37 0.00 0.41 -1.07 0.00 0.00 179.97 179.45 1j5c n GLY 88 N -1.38 -2.80 0.00 0.04 0.00 -1.26 -5.07 105.19 94.72 1j5c n GLY 88 Ca -0.09 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.00 0.00 0.00 4.61 0.00 -1.26 -5.11 120.51 115.74 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 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 -0.91 2.75 0.00 0.00 -1.26 -5.11 105.19 100.66 1j5c n GLY 90 Ca 0.00 0.34 -0.03 0.00 0.00 0.00 0.00 46.02 46.33 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 -3.10 -3.14 1.61 1.56 -1.26 -4.54 117.12 108.24 1j5c n MET 91 Ca 0.00 2.43 -0.19 0.00 -0.27 0.00 0.00 57.70 59.67 1j5c n MET 91 Cb 0.00 -3.11 0.01 0.00 2.15 0.00 0.00 33.22 32.26 1j5c n MET 91 CO 0.00 0.00 0.00 0.14 -0.73 0.00 0.00 175.97 175.38 1j5c s VAL 92 N -0.36 3.47 0.00 1.12 -7.23 -1.26 -4.34 120.40 111.80 1j5c s VAL 92 Ca -0.14 -0.92 0.00 0.00 -1.81 0.00 0.00 61.98 59.11 1j5c s VAL 92 Cb 0.01 -3.20 0.00 0.00 0.56 0.00 0.00 36.38 33.75 1j5c s VAL 92 CO 0.39 -0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.70 1j5c n GLY 93 N -1.84 4.23 3.33 2.32 0.00 -1.26 -2.46 105.19 109.51 1j5c n GLY 93 Ca 0.04 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 45.21 1j5c n GLY 93 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j5c s LYS 94 N -4.14 1.35 0.20 1.61 -2.85 -0.53 -3.06 119.74 112.32 1j5c s LYS 94 Ca 0.00 -1.53 0.09 0.00 -1.00 0.00 0.00 55.97 53.53 1j5c s LYS 94 Cb 0.00 0.34 -0.05 0.00 -2.06 0.00 0.00 37.83 36.07 1j5c s LYS 94 CO 0.00 -0.49 -0.17 0.08 0.10 0.00 0.00 175.35 174.87 1j5c s VAL 95 N -4.05 1.89 -0.13 1.79 1.01 0.27 -3.65 120.40 117.52 1j5c s VAL 95 Ca 0.34 -2.13 -0.02 0.00 0.00 0.00 0.00 61.98 60.16 1j5c s VAL 95 Cb 0.04 -2.01 0.04 0.00 0.00 0.00 0.00 36.38 34.45 1j5c s VAL 95 CO 0.12 -0.46 0.02 -0.69 0.00 0.00 0.00 175.10 174.10 1j5c s VAL 96 N -2.54 0.40 0.55 2.92 1.01 -1.13 -2.00 120.40 119.61 1j5c s VAL 96 Ca 0.21 -0.19 -0.17 0.00 0.00 0.00 0.00 61.98 61.83 1j5c s VAL 96 Cb -0.03 -0.75 -0.05 0.00 0.00 0.00 0.00 36.38 35.55 1j5c s VAL 96 CO 0.08 0.01 1.05 -0.69 0.00 0.00 0.00 175.10 175.56 1j5c s VAL 97 N 1.94 3.79 0.00 2.92 1.01 0.16 -2.27 120.40 127.95 1j5c s VAL 97 Ca 0.02 0.95 0.00 0.00 0.00 0.00 0.00 61.98 62.95 1j5c s VAL 97 Cb -0.15 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1j5c s VAL 97 CO -0.07 -0.40 0.08 -0.67 0.00 0.00 0.00 175.10 174.04