#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 0.21 -0.15 0.00 2.20 -1.26 -4.53 114.94 111.41 1j5c s ASN 2 Ca 0.00 -0.95 -0.02 0.00 -0.94 0.00 0.00 52.86 50.95 1j5c s ASN 2 Cb 0.00 0.34 -0.02 0.00 -2.00 0.00 0.00 41.25 39.57 1j5c s ASN 2 CO 0.00 -0.77 -0.08 0.00 -2.94 0.00 0.00 177.10 173.31 1j5c s ALA 3 N -3.96 2.80 0.13 3.54 0.00 -1.11 -4.98 121.76 118.18 1j5c s ALA 3 Ca 0.15 -0.87 0.11 0.00 0.00 0.00 0.00 51.96 51.35 1j5c s ALA 3 Cb 0.06 -1.40 -0.04 0.00 0.00 0.00 0.00 23.12 21.74 1j5c s ALA 3 CO -0.03 0.20 -0.26 -0.08 0.00 0.00 0.00 175.76 175.59 1j5c s THR 4 N 0.41 2.35 -0.15 0.00 -1.32 -1.26 -1.65 115.64 114.01 1j5c s THR 4 Ca -0.07 -1.74 -0.04 0.00 -1.21 0.00 0.00 61.69 58.64 1j5c s THR 4 Cb -0.15 -2.05 0.05 0.00 -1.51 0.00 0.00 72.50 68.84 1j5c s THR 4 CO 0.04 0.08 0.06 -0.69 -2.21 0.00 0.00 174.62 171.90 1j5c s VAL 5 N -1.10 0.17 -0.28 5.08 1.01 -1.06 -4.75 120.40 119.46 1j5c s VAL 5 Ca 0.15 -0.20 -0.29 0.00 0.00 0.00 0.00 61.98 61.64 1j5c s VAL 5 Cb -0.10 -0.67 -0.01 0.00 0.00 0.00 0.00 36.38 35.60 1j5c s VAL 5 CO 0.07 -0.14 1.41 -1.59 0.00 0.00 0.00 175.10 174.84 1j5c s LYS 6 N 2.03 3.86 -0.79 2.72 -2.85 -1.23 -3.69 119.74 119.78 1j5c s LYS 6 Ca 0.02 1.37 -0.24 0.00 -1.00 0.00 0.00 55.97 56.12 1j5c s LYS 6 Cb -0.15 -3.93 -0.16 0.00 -2.06 0.00 0.00 37.83 31.52 1j5c s LYS 6 CO -0.08 -1.19 2.39 -1.33 0.10 0.00 0.00 175.35 175.24 1j5c n MET 7 N 7.45 0.52 0.00 1.78 2.81 -0.96 -4.03 117.12 124.69 1j5c n MET 7 Ca 0.16 -0.69 0.00 0.00 -1.81 0.00 0.00 57.70 55.36 1j5c n MET 7 Cb 0.46 -3.35 0.00 0.00 -0.71 0.00 0.00 33.22 29.62 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 6.60 -0.78 3.93 3.03 0.00 -0.91 -3.33 105.19 113.73 1j5c n GLY 8 Ca 0.49 -1.71 -0.25 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 -1.99 6.30 0.34 1.61 0.15 -1.26 -4.75 113.70 114.09 1j5c s SER 9 Ca 0.00 0.64 0.14 0.00 0.70 0.00 0.00 55.95 57.43 1j5c s SER 9 Cb 0.00 -2.12 1.12 0.00 -1.71 0.00 0.00 66.02 63.32 1j5c s SER 9 CO 0.00 -0.38 1.52 -0.67 1.20 0.00 0.00 173.24 174.91 1j5c n ASP 10 N -1.86 0.19 -3.54 5.45 -0.08 -1.26 -2.99 116.55 112.46 1j5c n ASP 10 Ca -0.03 1.62 0.00 0.00 -1.51 0.00 0.00 54.79 54.87 1j5c n ASP 10 Cb 0.56 -0.72 0.00 0.00 2.34 0.00 0.00 41.12 43.29 1j5c n ASP 10 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1j5c n SER 11 N -5.27 -0.39 -0.42 1.67 2.88 -1.26 -4.61 113.62 106.22 1j5c n SER 11 Ca 0.32 0.00 0.36 0.00 -1.33 0.00 0.00 58.87 58.22 1j5c n SER 11 Cb 1.08 0.00 0.61 0.00 -0.75 0.00 0.00 64.21 65.15 1j5c n SER 11 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1j5c n GLY 12 N 0.00 -0.75 1.51 0.46 0.00 -1.26 -4.79 105.19 100.36 1j5c n GLY 12 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.71 1j5c n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j5c n ALA 13 N -2.53 -2.41 0.15 4.61 0.00 -1.16 -3.35 120.51 115.83 1j5c n ALA 13 Ca 0.36 0.30 0.00 0.00 0.00 0.00 0.00 53.44 54.10 1j5c n ALA 13 Cb 1.41 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 19.78 1j5c n ALA 13 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1j5c n LEU 14 N 1.18 -1.13 0.00 0.00 7.94 -1.26 -4.44 117.00 119.29 1j5c n LEU 14 Ca 0.00 0.55 0.00 0.00 -1.11 0.00 0.00 56.01 55.45 1j5c n LEU 14 Cb 0.00 1.23 0.00 0.00 0.53 0.00 0.00 43.42 45.18 1j5c n LEU 14 CO 0.00 -0.51 0.00 1.33 -1.11 0.00 0.00 177.39 177.10 1j5c n VAL 15 N -3.38 0.00 -3.73 1.96 0.24 -1.26 -4.66 118.33 107.49 1j5c n VAL 15 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.17 1j5c n VAL 15 Cb 0.00 -0.73 -0.14 0.00 -1.47 0.00 0.00 33.84 31.50 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 0.00 -0.26 -0.07 6.34 -0.71 -1.26 -2.14 117.98 119.89 1j5c s PHE 16 Ca 0.00 0.65 -0.05 0.00 -1.04 0.00 0.00 56.93 56.50 1j5c s PHE 16 Cb 0.00 -0.02 0.03 0.00 -1.21 0.00 0.00 43.02 41.82 1j5c s PHE 16 CO 0.00 -0.21 0.17 -2.00 -1.34 0.00 0.00 175.22 171.84 1j5c s GLU 17 N 1.28 0.16 0.45 1.99 2.12 -1.26 -3.06 118.70 120.38 1j5c s GLU 17 Ca -0.09 0.32 -0.22 0.00 0.36 0.00 0.00 54.97 55.34 1j5c s GLU 17 Cb -0.11 -0.03 -0.09 0.00 0.26 0.00 0.00 34.13 34.16 1j5c s GLU 17 CO -0.07 -0.09 1.04 -1.25 -0.54 0.00 0.00 175.26 174.35 1j5c s PRO 18 N 0.63 3.94 0.32 4.30 0.04 -1.26 -3.54 135.00 139.43 1j5c s PRO 18 Ca -0.05 1.43 0.08 0.00 0.04 0.00 0.00 61.00 62.50 1j5c s PRO 18 Cb -0.06 -2.27 0.92 0.00 0.04 0.00 0.00 34.50 33.12 1j5c s PRO 18 CO -0.03 -0.32 1.63 0.66 0.04 0.00 0.00 177.00 178.98 1j5c h SER 19 N 1.94 0.13 -5.11 6.66 4.64 -1.93 -3.41 113.55 116.46 1j5c h SER 19 Ca -0.49 0.22 -0.19 0.00 -0.47 0.00 0.00 61.79 60.86 1j5c h SER 19 Cb 1.22 0.26 -0.15 0.00 -0.31 0.00 0.00 62.40 63.42 1j5c h SER 19 CO 0.60 -0.22 -0.67 -0.89 -0.87 0.00 0.00 176.83 174.79 1j5c s THR 20 N -5.81 0.31 -0.03 2.95 2.01 -1.26 -2.65 115.64 111.16 1j5c s THR 20 Ca -0.11 -1.89 -0.02 0.00 0.31 0.00 0.00 61.69 59.97 1j5c s THR 20 Cb 0.29 -1.84 0.01 0.00 0.01 0.00 0.00 72.50 70.97 1j5c s THR 20 CO 0.78 -0.69 0.08 0.68 -0.69 0.00 0.00 174.62 174.78 1j5c s VAL 21 N -3.89 -0.01 0.02 3.82 -7.23 -1.25 -5.05 120.40 106.81 1j5c s VAL 21 Ca 0.17 0.05 -0.30 0.00 -1.81 0.00 0.00 61.98 60.09 1j5c s VAL 21 Cb 0.07 -0.12 -0.04 0.00 0.56 0.00 0.00 36.38 36.84 1j5c s VAL 21 CO -0.02 0.02 1.12 0.42 -0.31 0.00 0.00 175.10 176.32 1j5c s THR 22 N 0.30 4.36 0.24 5.32 -4.23 -1.26 -3.27 115.64 117.10 1j5c s THR 22 Ca -0.02 1.69 0.07 0.00 -1.18 0.00 0.00 61.69 62.25 1j5c s THR 22 Cb -0.03 -4.09 -0.05 0.00 1.34 0.00 0.00 72.50 69.67 1j5c s THR 22 CO -0.01 0.11 -0.11 -0.51 -0.54 0.00 0.00 174.62 173.56 1j5c s ILE 23 N 1.22 1.70 0.10 2.99 -1.16 0.78 -4.61 121.20 122.22 1j5c s ILE 23 Ca 0.56 -2.18 0.05 0.00 -0.51 0.00 0.00 60.65 58.57 1j5c s ILE 23 Cb -0.26 -2.22 -0.04 0.00 0.61 0.00 0.00 42.46 40.55 1j5c s ILE 23 CO 0.27 -0.47 0.02 -0.54 -2.81 0.00 0.00 174.94 171.41 1j5c s LYS 24 N -3.68 2.58 -0.68 3.50 1.02 -1.26 -0.13 119.74 121.09 1j5c s LYS 24 Ca 0.26 -0.86 -0.26 0.00 0.02 0.00 0.00 55.97 55.13 1j5c s LYS 24 Cb 0.01 -2.54 -0.06 0.00 -0.52 0.00 0.00 37.83 34.72 1j5c s LYS 24 CO 0.09 0.53 2.09 0.00 -0.92 0.00 0.00 175.35 177.14 1j5c s ALA 25 N -1.40 1.71 0.00 5.17 0.00 -1.26 -0.85 121.76 125.13 1j5c s ALA 25 Ca 0.27 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.50 1j5c s ALA 25 Cb -0.11 -4.41 0.00 0.00 0.00 0.00 0.00 23.12 18.59 1j5c s ALA 25 CO 0.19 -4.54 0.00 0.41 0.00 0.00 0.00 175.76 171.82 1j5c n GLY 26 N 6.20 1.43 3.63 0.00 0.00 0.47 -4.92 105.19 111.99 1j5c n GLY 26 Ca 0.33 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.05 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 -4.30 1.61 -0.58 -0.03 -4.56 120.64 110.52 1j5c n GLU 27 Ca 0.00 -1.87 -0.16 0.00 -0.42 0.00 0.00 57.16 54.71 1j5c n GLU 27 Cb 0.00 -1.49 -0.10 0.00 -0.57 0.00 0.00 31.44 29.28 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 -5.65 1.35 0.05 3.49 -1.05 -1.26 -0.01 118.70 115.61 1j5c s GLU 28 Ca 0.72 -1.71 0.06 0.00 -0.15 0.00 0.00 54.97 53.89 1j5c s GLU 28 Cb -0.05 -0.30 -0.02 0.00 -0.44 0.00 0.00 34.13 33.32 1j5c s GLU 28 CO 0.53 -0.24 -0.18 0.08 0.95 0.00 0.00 175.26 176.40 1j5c s VAL 29 N -3.70 1.41 -0.24 1.83 1.01 0.72 -2.75 120.40 118.68 1j5c s VAL 29 Ca 0.34 -1.13 -0.04 0.00 0.00 0.00 0.00 61.98 61.15 1j5c s VAL 29 Cb 0.07 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 35.20 1j5c s VAL 29 CO 0.11 0.09 -0.03 -0.75 0.00 0.00 0.00 175.10 174.53 1j5c s LYS 30 N -1.21 3.18 -0.52 2.72 2.20 -0.66 -2.03 119.74 123.42 1j5c s LYS 30 Ca 0.05 -0.76 -0.14 0.00 -0.36 0.00 0.00 55.97 54.75 1j5c s LYS 30 Cb -0.08 -3.06 0.13 0.00 -1.51 0.00 0.00 37.83 33.30 1j5c s LYS 30 CO 0.02 -0.29 0.46 -1.58 -0.36 0.00 0.00 175.35 173.59 1j5c s TRP 31 N 1.44 3.29 0.18 4.03 0.51 -1.04 -2.56 118.94 124.79 1j5c s TRP 31 Ca 0.04 -1.43 -0.15 0.00 -2.12 0.00 0.00 56.10 52.44 1j5c s TRP 31 Cb -0.15 -3.72 -0.07 0.00 -0.81 0.00 0.00 33.47 28.72 1j5c s TRP 31 CO -0.03 -1.01 0.60 0.08 -0.51 0.00 0.00 176.95 176.08 1j5c s VAL 32 N 1.54 4.79 -0.65 4.03 1.01 -1.24 -3.25 120.40 126.63 1j5c s VAL 32 Ca 0.04 0.90 -0.23 0.00 0.00 0.00 0.00 61.98 62.69 1j5c s VAL 32 Cb -0.29 -3.74 0.06 0.00 0.00 0.00 0.00 36.38 32.41 1j5c s VAL 32 CO 0.02 0.18 0.99 0.21 0.00 0.00 0.00 175.10 176.50 1j5c s ASN 33 N -1.80 6.20 0.00 3.32 2.47 -1.26 -2.27 114.94 121.60 1j5c s ASN 33 Ca 0.41 -0.83 -0.06 0.00 0.42 0.00 0.00 52.86 52.81 1j5c s ASN 33 Cb -0.15 -2.44 -0.03 0.00 -1.45 0.00 0.00 41.25 37.19 1j5c s ASN 33 CO 0.20 -1.45 0.75 -1.13 -3.72 0.00 0.00 177.10 171.75 1j5c h ASN 34 N 9.57 -0.18 -5.58 -4.21 -0.00 -1.88 -3.39 115.58 109.91 1j5c h ASN 34 Ca -0.28 0.01 0.24 0.00 -0.00 0.00 0.00 56.30 56.26 1j5c h ASN 34 Cb 1.07 0.05 -0.06 0.00 -0.00 0.00 0.00 38.32 39.38 1j5c h ASN 34 CO 1.18 -0.09 0.70 -0.75 -0.00 0.00 0.00 177.43 178.47 1j5c s LYS 35 N -2.82 0.91 -0.04 6.67 2.20 -1.21 -4.86 119.74 120.59 1j5c s LYS 35 Ca -0.03 -0.57 -0.00 0.00 -0.36 0.00 0.00 55.97 55.01 1j5c s LYS 35 Cb 0.00 0.26 0.00 0.00 -1.51 0.00 0.00 37.83 36.59 1j5c s LYS 35 CO 0.09 -0.43 0.03 -0.11 -0.36 0.00 0.00 175.35 174.58 1j5c n LEU 36 N -0.72 -2.06 -4.75 5.43 -0.00 -1.21 -4.76 117.00 108.93 1j5c n LEU 36 Ca -0.02 -0.02 -0.35 0.00 -0.00 0.00 0.00 56.01 55.62 1j5c n LEU 36 Cb 0.60 -0.58 0.05 0.00 -0.00 0.00 0.00 43.42 43.49 1j5c n LEU 36 CO 0.18 0.01 0.82 -0.94 -0.00 0.00 0.00 177.39 177.45 1j5c s SER 37 N -3.04 4.86 0.73 1.96 1.04 -1.26 -4.49 113.70 113.50 1j5c s SER 37 Ca 0.00 2.33 0.00 0.00 0.48 0.00 0.00 55.95 58.77 1j5c s SER 37 Cb -0.00 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.53 1j5c s SER 37 CO 0.02 -1.81 0.00 -0.81 0.98 0.00 0.00 173.24 171.62 1j5c n PRO 38 N -2.05 -0.10 -3.26 4.02 -0.04 -1.26 -5.08 135.00 127.24 1j5c n PRO 38 Ca 0.13 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.62 1j5c n PRO 38 Cb 0.50 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.94 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 -0.73 -1.45 0.12 0.54 3.76 0.49 -4.89 115.29 113.13 1j5c s HIS 39 Ca 0.00 1.74 0.10 0.00 -0.15 0.00 0.00 55.06 56.75 1j5c s HIS 39 Cb 0.00 0.58 -0.04 0.00 1.11 0.00 0.00 32.58 34.24 1j5c s HIS 39 CO 0.00 -0.78 -0.24 1.21 -0.85 0.00 0.00 174.74 174.09 1j5c s ASN 40 N 2.86 2.94 -0.61 1.40 2.47 -1.26 0.39 114.94 123.12 1j5c s ASN 40 Ca 0.13 -0.74 0.05 0.00 0.42 0.00 0.00 52.86 52.73 1j5c s ASN 40 Cb -0.14 -0.18 0.18 0.00 -1.45 0.00 0.00 41.25 39.66 1j5c s ASN 40 CO -0.20 0.11 0.49 -0.38 -3.72 0.00 0.00 177.10 173.40 1j5c n ILE 41 N 0.91 0.93 -2.91 -5.21 -0.00 -1.23 -3.95 119.36 107.89 1j5c n ILE 41 Ca -0.18 -4.52 -0.40 0.00 -0.00 0.00 0.00 62.75 57.64 1j5c n ILE 41 Cb 0.54 -2.04 -0.04 0.00 -0.00 0.00 0.00 39.64 38.09 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 -1.21 4.78 -0.02 1.39 1.01 -1.24 -0.99 120.40 124.12 1j5c s VAL 42 Ca 0.29 1.73 0.02 0.00 0.00 0.00 0.00 61.98 64.02 1j5c s VAL 42 Cb 0.01 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 1j5c s VAL 42 CO -0.16 0.30 -0.05 -0.36 0.00 0.00 0.00 175.10 174.83 1j5c s PHE 43 N 0.31 2.95 0.03 5.22 0.40 -1.26 -1.40 117.98 124.23 1j5c s PHE 43 Ca 0.42 0.01 0.01 0.00 -0.60 0.00 0.00 56.93 56.77 1j5c s PHE 43 Cb -0.20 -1.66 -0.04 0.00 0.51 0.00 0.00 43.02 41.63 1j5c s PHE 43 CO 0.24 0.38 0.09 0.00 0.70 0.00 0.00 175.22 176.63 1j5c s ALA 44 N -0.95 3.62 -1.31 5.36 0.00 -0.30 -4.68 121.76 123.51 1j5c s ALA 44 Ca 0.16 -0.92 -0.12 0.00 0.00 0.00 0.00 51.96 51.08 1j5c s ALA 44 Cb -0.11 -1.56 0.13 0.00 0.00 0.00 0.00 23.12 21.58 1j5c s ALA 44 CO 0.06 0.73 1.84 0.00 0.00 0.00 0.00 175.76 178.39 1j5c n ALA 45 N 0.83 4.89 -3.29 0.00 0.00 -1.26 -4.34 120.51 117.35 1j5c n ALA 45 Ca -0.11 -4.16 -0.46 0.00 0.00 0.00 0.00 53.44 48.72 1j5c n ALA 45 Cb 0.52 -3.18 -0.05 0.00 0.00 0.00 0.00 19.45 16.73 1j5c n ALA 45 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1j5c s ASP 46 N 2.14 6.18 0.00 0.00 -1.08 -1.26 -4.45 116.67 118.20 1j5c s ASP 46 Ca 0.43 -1.77 0.00 0.00 -0.52 0.00 0.00 52.55 50.70 1j5c s ASP 46 Cb 0.07 -2.20 0.00 0.00 -1.46 0.00 0.00 42.92 39.33 1j5c s ASP 46 CO -0.01 -0.84 0.00 0.61 0.52 0.00 0.00 175.17 175.45 1j5c n GLY 47 N 5.24 2.15 3.92 2.66 0.00 -1.26 -4.92 105.19 112.98 1j5c n GLY 47 Ca -0.14 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.66 3.30 0.83 1.61 1.01 -1.26 -5.04 120.40 120.18 1j5c s VAL 48 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 61.98 61.85 1j5c s VAL 48 Cb 0.00 -3.35 0.10 0.00 0.00 0.00 0.00 36.38 33.13 1j5c s VAL 48 CO 0.00 -0.37 1.17 -1.81 0.00 0.00 0.00 175.10 174.09 1j5c s ASP 49 N -4.36 3.54 -0.03 3.32 1.01 -1.26 -4.79 116.67 114.09 1j5c s ASP 49 Ca 0.56 2.25 -0.15 0.00 0.71 0.00 0.00 52.55 55.92 1j5c s ASP 49 Cb -0.11 -2.58 -0.09 0.00 1.01 0.00 0.00 42.92 41.16 1j5c s ASP 49 CO 0.46 -2.70 0.65 0.00 0.21 0.00 0.00 175.17 173.79 1j5c h ALA 50 N -1.16 -0.57 -0.77 5.23 0.00 -1.96 -1.82 119.26 118.21 1j5c h ALA 50 Ca -0.45 -0.12 0.17 0.00 0.00 0.00 0.00 54.91 54.50 1j5c h ALA 50 Cb 1.28 0.22 -0.11 0.00 0.00 0.00 0.00 17.79 19.18 1j5c h ALA 50 CO 0.46 -0.53 0.26 -0.44 0.00 0.00 0.00 179.25 179.00 1j5c h ASP 51 N -1.12 0.16 0.02 0.00 5.19 -1.98 0.38 116.42 119.07 1j5c h ASP 51 Ca -0.06 0.14 0.02 0.00 -0.62 0.00 0.00 57.03 56.51 1j5c h ASP 51 Cb 0.43 0.15 -0.03 0.00 0.18 0.00 0.00 39.33 40.06 1j5c h ASP 51 CO 0.09 0.02 -0.17 0.74 -3.12 0.00 0.00 179.24 176.80 1j5c h THR 52 N 0.35 0.60 0.00 0.35 2.02 -1.94 0.17 112.91 114.46 1j5c h THR 52 Ca 0.44 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.62 1j5c h THR 52 Cb 0.75 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1j5c h THR 52 CO -0.48 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.41 1j5c n ALA 53 N -2.49 1.44 0.31 6.16 0.00 -0.09 -2.21 120.51 123.64 1j5c n ALA 53 Ca -0.05 0.09 -0.13 0.00 0.00 0.00 0.00 53.44 53.35 1j5c n ALA 53 Cb 0.21 -1.32 -0.06 0.00 0.00 0.00 0.00 19.45 18.29 1j5c n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j5c h ALA 54 N 2.20 -0.87 -0.80 0.00 0.00 0.27 0.28 119.26 120.34 1j5c h ALA 54 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1j5c h ALA 54 Cb 0.22 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1j5c h ALA 54 CO 0.00 -0.81 0.52 1.57 0.00 0.00 0.00 179.25 180.53 1j5c h LYS 55 N -1.16 1.07 0.00 0.00 2.10 -1.26 0.48 116.57 117.80 1j5c h LYS 55 Ca -0.08 -0.07 -0.05 0.00 -2.00 0.00 0.00 60.65 58.44 1j5c h LYS 55 Cb 0.63 -0.24 -0.01 0.00 -0.90 0.00 0.00 32.23 31.72 1j5c h LYS 55 CO 0.14 0.72 -0.24 -0.07 -2.00 0.00 0.00 179.45 177.99 1j5c h LEU 56 N 1.10 0.00 -9.48 7.07 -0.00 -1.42 -3.42 115.31 109.15 1j5c h LEU 56 Ca 0.29 0.00 -0.53 0.00 -0.00 0.00 0.00 57.88 57.64 1j5c h LEU 56 Cb -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.56 1j5c h LEU 56 CO -0.06 0.24 0.54 -0.55 -0.00 0.00 0.00 178.44 178.61 1j5c s SER 57 N -6.63 7.11 -0.47 -0.43 0.15 0.99 -4.60 113.70 109.81 1j5c s SER 57 Ca -0.03 1.98 -0.11 0.00 0.70 0.00 0.00 55.95 58.50 1j5c s SER 57 Cb 0.14 -2.58 0.11 0.00 -1.71 0.00 0.00 66.02 61.98 1j5c s SER 57 CO 0.67 -0.44 0.36 -1.00 1.20 0.00 0.00 173.24 174.02 1j5c s HIS 58 N 1.01 3.38 -0.48 3.44 3.76 -0.16 -4.86 115.29 121.38 1j5c s HIS 58 Ca 0.58 -1.69 0.03 0.00 -0.15 0.00 0.00 55.06 53.83 1j5c s HIS 58 Cb -0.29 -3.45 0.46 0.00 1.11 0.00 0.00 32.58 30.41 1j5c s HIS 58 CO 0.29 -0.97 1.62 1.17 -0.85 0.00 0.00 174.74 176.01 1j5c n LYS 59 N 4.98 3.09 -0.10 1.40 3.00 -1.26 -3.55 118.16 125.71 1j5c n LYS 59 Ca -0.09 -3.70 -0.11 0.00 -0.00 0.00 0.00 58.31 54.41 1j5c n LYS 59 Cb 0.41 -2.27 -0.15 0.00 0.00 0.00 0.00 35.03 33.02 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 -0.90 1.34 3.14 0.00 -1.26 -5.10 105.19 101.58 1j5c n GLY 60 Ca 0.53 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.82 -4.68 -4.56 0.99 4.32 -1.26 -5.05 117.00 103.94 1j5c n LEU 61 Ca -0.34 2.06 -0.24 0.00 -0.02 0.00 0.00 56.01 57.47 1j5c n LEU 61 Cb 1.13 -2.00 -0.09 0.00 -1.62 0.00 0.00 43.42 40.84 1j5c n LEU 61 CO 0.40 -0.77 -0.40 0.00 -1.22 0.00 0.00 177.39 175.40 1j5c s ALA 62 N -0.95 2.97 0.00 -1.18 0.00 0.16 -4.92 121.76 117.84 1j5c s ALA 62 Ca 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.15 1j5c s ALA 62 Cb 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.66 1j5c s ALA 62 CO 0.00 0.24 0.00 1.97 0.00 0.00 0.00 175.76 177.97 1j5c n PHE 63 N -0.77 -1.15 -2.47 0.00 -1.74 -1.26 0.19 117.46 110.25 1j5c n PHE 63 Ca -0.05 0.00 -0.42 0.00 -0.56 0.00 0.00 57.45 56.41 1j5c n PHE 63 Cb 0.60 0.25 -0.02 0.00 1.52 0.00 0.00 39.48 41.82 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 -1.49 2.98 -0.83 1.98 0.00 -1.26 -4.65 121.76 118.49 1j5c s ALA 64 Ca 0.00 -0.55 -0.23 0.00 0.00 0.00 0.00 51.96 51.19 1j5c s ALA 64 Cb 0.00 -4.00 -0.20 0.00 0.00 0.00 0.00 23.12 18.92 1j5c s ALA 64 CO 0.00 -2.60 2.42 0.00 0.00 0.00 0.00 175.76 175.58 1j5c n ALA 65 N 8.75 0.64 0.00 0.00 0.00 -1.26 -1.89 120.51 126.75 1j5c n ALA 65 Ca 0.12 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1j5c n ALA 65 Cb 0.49 -2.77 0.00 0.00 0.00 0.00 0.00 19.45 17.17 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 6.19 1.14 3.62 0.00 0.00 -1.26 -5.04 105.19 109.84 1j5c n GLY 66 Ca 0.55 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 46.09 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 3.79 -0.04 1.61 2.02 -0.79 -4.90 118.70 120.39 1j5c s GLU 67 Ca 0.00 1.17 0.03 0.00 0.02 0.00 0.00 54.97 56.19 1j5c s GLU 67 Cb 0.00 -3.94 0.00 0.00 0.10 0.00 0.00 34.13 30.29 1j5c s GLU 67 CO 0.00 -1.28 -0.13 -1.12 0.02 0.00 0.00 175.26 172.74 1j5c s SER 68 N 3.27 1.76 0.77 -0.19 0.01 -1.26 -4.27 113.70 113.79 1j5c s SER 68 Ca 0.59 -0.29 -0.04 0.00 1.31 0.00 0.00 55.95 57.52 1j5c s SER 68 Cb -0.16 -0.56 0.14 0.00 0.21 0.00 0.00 66.02 65.64 1j5c s SER 68 CO 0.27 0.10 1.06 -0.36 0.41 0.00 0.00 173.24 174.72 1j5c s PHE 69 N 0.24 1.63 -0.03 2.43 0.08 -1.20 -4.89 117.98 116.24 1j5c s PHE 69 Ca -0.06 -0.13 -0.07 0.00 0.12 0.00 0.00 56.93 56.78 1j5c s PHE 69 Cb -0.12 -3.23 0.01 0.00 -0.57 0.00 0.00 43.02 39.11 1j5c s PHE 69 CO 0.02 -1.90 0.17 0.99 -0.10 0.00 0.00 175.22 174.40 1j5c s THR 70 N -3.30 0.04 -0.01 0.64 2.01 -1.26 -2.51 115.64 111.25 1j5c s THR 70 Ca 0.68 -0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.33 1j5c s THR 70 Cb -0.05 -0.37 0.02 0.00 0.01 0.00 0.00 72.50 72.11 1j5c s THR 70 CO 0.46 -0.19 0.01 -0.94 -0.69 0.00 0.00 174.62 173.26 1j5c s SER 71 N -0.68 0.16 -0.20 3.53 1.04 -0.86 -4.95 113.70 111.75 1j5c s SER 71 Ca -0.08 0.00 -0.08 0.00 0.48 0.00 0.00 55.95 56.27 1j5c s SER 71 Cb -0.05 -0.08 -0.04 0.00 0.10 0.00 0.00 66.02 65.95 1j5c s SER 71 CO 0.01 -0.06 0.09 -0.89 0.98 0.00 0.00 173.24 173.37 1j5c s THR 72 N 0.60 4.97 -0.65 2.02 2.01 -1.26 -0.20 115.64 123.13 1j5c s THR 72 Ca -0.05 0.03 -0.18 0.00 0.31 0.00 0.00 61.69 61.80 1j5c s THR 72 Cb -0.08 -3.26 0.12 0.00 0.01 0.00 0.00 72.50 69.29 1j5c s THR 72 CO -0.01 0.44 0.73 -0.36 -0.69 0.00 0.00 174.62 174.72 1j5c s PHE 73 N 0.51 3.12 0.00 4.92 0.40 0.98 -4.86 117.98 123.05 1j5c s PHE 73 Ca 0.05 -1.15 -0.11 0.00 -0.60 0.00 0.00 56.93 55.11 1j5c s PHE 73 Cb -0.12 -4.00 -0.32 0.00 0.51 0.00 0.00 43.02 39.08 1j5c s PHE 73 CO 0.00 -1.26 0.88 1.15 0.70 0.00 0.00 175.22 176.70 1j5c h THR 74 N 5.78 1.17 -3.44 0.64 2.02 -1.88 1.36 112.91 118.56 1j5c h THR 74 Ca -0.21 -2.69 -0.59 0.00 0.77 0.00 0.00 66.41 63.69 1j5c h THR 74 Cb 1.08 2.90 -0.10 0.00 -1.74 0.00 0.00 68.15 70.29 1j5c h THR 74 CO 1.06 0.84 -0.01 -0.70 0.37 0.00 0.00 175.52 177.08 1j5c s GLU 75 N -2.60 4.21 -1.09 6.66 2.56 -1.26 -4.44 118.70 122.74 1j5c s GLU 75 Ca -0.11 0.47 -0.22 0.00 0.00 0.00 0.00 54.97 55.11 1j5c s GLU 75 Cb 0.05 -3.55 -0.00 0.00 2.00 0.00 0.00 34.13 32.62 1j5c s GLU 75 CO 0.90 -0.14 1.76 -1.25 -0.56 0.00 0.00 175.26 175.96 1j5c s PRO 76 N 1.61 3.16 0.00 4.30 0.04 -1.26 -4.80 135.00 138.05 1j5c s PRO 76 Ca 0.26 -1.12 0.00 0.00 0.04 0.00 0.00 61.00 60.17 1j5c s PRO 76 Cb -0.16 -5.30 0.00 0.00 0.04 0.00 0.00 34.50 29.09 1j5c s PRO 76 CO 0.10 -2.94 0.00 0.41 0.04 0.00 0.00 177.00 174.61 1j5c n GLY 77 N 6.27 5.47 2.68 0.56 0.00 -1.26 -4.94 105.19 113.97 1j5c n GLY 77 Ca 0.41 -1.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 1j5c n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1j5c s THR 78 N 1.16 0.64 0.36 2.61 -1.32 -1.26 -2.39 115.64 115.43 1j5c s THR 78 Ca 0.00 -1.28 -0.23 0.00 -1.21 0.00 0.00 61.69 58.96 1j5c s THR 78 Cb 0.00 -1.50 -0.10 0.00 -1.51 0.00 0.00 72.50 69.39 1j5c s THR 78 CO 0.00 -0.70 0.93 -0.31 -2.21 0.00 0.00 174.62 172.32 1j5c s TYR 79 N 1.69 3.54 0.07 9.09 1.51 -1.23 -4.91 117.35 127.11 1j5c s TYR 79 Ca 0.10 1.68 0.07 0.00 -1.01 0.00 0.00 57.07 57.91 1j5c s TYR 79 Cb -0.17 -2.86 -0.03 0.00 -0.11 0.00 0.00 41.96 38.78 1j5c s TYR 79 CO -0.27 0.10 -0.19 0.99 -1.11 0.00 0.00 175.55 175.07 1j5c s THR 80 N -1.83 1.54 0.04 -0.71 2.01 -1.26 -2.21 115.64 113.22 1j5c s THR 80 Ca 0.54 -1.32 -0.15 0.00 0.31 0.00 0.00 61.69 61.07 1j5c s THR 80 Cb -0.15 -1.38 0.03 0.00 0.01 0.00 0.00 72.50 71.01 1j5c s THR 80 CO 0.19 0.02 0.34 -0.72 -0.69 0.00 0.00 174.62 173.77 1j5c s TYR 81 N -1.00 -0.17 -0.12 4.92 -0.85 -1.23 -1.14 117.35 117.75 1j5c s TYR 81 Ca 0.05 0.07 -0.04 0.00 -0.52 0.00 0.00 57.07 56.63 1j5c s TYR 81 Cb -0.09 0.14 0.06 0.00 0.38 0.00 0.00 41.96 42.45 1j5c s TYR 81 CO 0.03 -0.53 0.24 1.52 -1.52 0.00 0.00 175.55 175.29 1j5c s TYR 82 N -2.51 -0.37 -0.16 -3.49 1.13 -0.49 -4.14 117.35 107.32 1j5c s TYR 82 Ca -0.05 0.87 -0.40 0.00 -1.41 0.00 0.00 57.07 56.08 1j5c s TYR 82 Cb -0.01 -0.09 -0.17 0.00 -1.10 0.00 0.00 41.96 40.58 1j5c s TYR 82 CO -0.03 -0.35 1.49 0.00 -2.51 0.00 0.00 175.55 174.15 1j5c h GLU 84 N 5.34 -0.16 0.00 0.00 4.81 -1.94 -3.42 114.58 119.21 1j5c h GLU 84 Ca -0.47 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1j5c h GLU 84 Cb 1.35 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.77 1j5c h GLU 84 CO 0.86 -0.11 0.00 -0.35 -0.73 0.00 0.00 179.01 178.68 1j5c n PRO 85 N -5.24 0.61 0.00 0.92 -0.04 -1.26 -4.42 135.00 125.57 1j5c n PRO 85 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1j5c n PRO 85 Cb 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.62 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 -0.76 0.00 -3.10 0.54 8.25 -1.26 -4.82 115.22 114.06 1j5c n HIS 86 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1j5c n HIS 86 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 0.00 -0.43 0.00 -0.41 0.63 -1.26 -4.57 116.66 110.62 1j5c n ARG 87 Ca 0.00 0.83 0.00 0.00 -0.92 0.00 0.00 57.85 57.76 1j5c n ARG 87 Cb 0.00 -0.92 0.00 0.00 0.45 0.00 0.00 32.46 31.99 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 1.49 1.09 1.24 5.14 0.00 -1.26 -5.04 105.19 107.85 1j5c n GLY 88 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.05 3.00 0.00 4.61 0.00 -1.26 -5.08 120.51 121.73 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 0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.81 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 2.69 0.92 2.90 0.00 0.00 -1.26 -4.93 105.19 105.51 1j5c n GLY 90 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1j5c n GLY 90 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1j5c s MET 91 N 0.16 1.52 0.15 1.61 -2.45 -1.26 -4.66 119.30 114.36 1j5c s MET 91 Ca 0.00 -0.46 0.00 0.00 -1.25 0.00 0.00 55.69 53.98 1j5c s MET 91 Cb 0.00 -1.91 0.00 0.00 1.25 0.00 0.00 34.83 34.17 1j5c s MET 91 CO 0.00 -0.38 0.00 1.33 1.05 0.00 0.00 175.02 177.02 1j5c n VAL 92 N 4.88 0.33 -1.68 10.11 0.24 -1.26 -3.89 118.33 127.07 1j5c n VAL 92 Ca -0.12 0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1j5c n VAL 92 Cb 0.48 -0.92 0.00 0.00 -1.47 0.00 0.00 33.84 31.94 1j5c n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1j5c n GLY 93 N 2.22 -4.62 3.25 7.63 0.00 -1.26 -4.06 105.19 108.36 1j5c n GLY 93 Ca 0.00 -0.70 -0.15 0.00 0.00 0.00 0.00 46.02 45.17 1j5c n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j5c s LYS 94 N -4.01 1.38 0.19 1.61 3.01 -1.09 -3.51 119.74 117.33 1j5c s LYS 94 Ca 0.00 -1.75 0.06 0.00 -1.01 0.00 0.00 55.97 53.27 1j5c s LYS 94 Cb 0.00 0.14 -0.05 0.00 -1.01 0.00 0.00 37.83 36.91 1j5c s LYS 94 CO 0.00 -0.43 -0.11 0.08 0.51 0.00 0.00 175.35 175.40 1j5c s VAL 95 N -3.90 1.47 -0.10 3.17 1.01 -0.94 -3.82 120.40 117.29 1j5c s VAL 95 Ca 0.39 -2.14 -0.04 0.00 0.00 0.00 0.00 61.98 60.19 1j5c s VAL 95 Cb 0.06 -2.02 0.05 0.00 0.00 0.00 0.00 36.38 34.47 1j5c s VAL 95 CO 0.16 -0.61 0.21 -0.69 0.00 0.00 0.00 175.10 174.16 1j5c s VAL 96 N -3.14 -0.24 0.04 2.92 1.01 -1.20 -3.51 120.40 116.29 1j5c s VAL 96 Ca 0.21 0.27 -0.06 0.00 0.00 0.00 0.00 61.98 62.40 1j5c s VAL 96 Cb 0.01 -0.35 -0.05 0.00 0.00 0.00 0.00 36.38 35.99 1j5c s VAL 96 CO 0.05 0.11 0.29 -0.69 0.00 0.00 0.00 175.10 174.86 1j5c s VAL 97 N 1.97 5.27 0.00 2.92 1.01 -1.01 -0.16 120.40 130.41 1j5c s VAL 97 Ca -0.02 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1j5c s VAL 97 Cb -0.12 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1j5c s VAL 97 CO -0.07 0.28 0.24 -0.67 0.00 0.00 0.00 175.10 174.87