#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 2.98 0.57 0.00 4.22 -1.26 -5.04 114.94 116.41 1j5c s ASN 2 Ca 0.00 0.43 -0.14 0.00 -2.14 0.00 0.00 52.86 51.01 1j5c s ASN 2 Cb 0.00 -0.59 -0.06 0.00 1.28 0.00 0.00 41.25 41.89 1j5c s ASN 2 CO 0.00 -2.83 1.01 0.00 -2.04 0.00 0.00 177.10 173.24 1j5c s ALA 3 N -3.68 3.06 0.12 3.54 0.00 -1.20 -4.95 121.76 118.65 1j5c s ALA 3 Ca 0.71 0.07 -0.08 0.00 0.00 0.00 0.00 51.96 52.66 1j5c s ALA 3 Cb -0.06 -3.11 -0.01 0.00 0.00 0.00 0.00 23.12 19.94 1j5c s ALA 3 CO 0.53 -0.49 0.22 -0.08 0.00 0.00 0.00 175.76 175.94 1j5c s THR 4 N -2.87 0.11 0.00 0.00 -1.32 -1.26 -2.88 115.64 107.42 1j5c s THR 4 Ca 0.57 -1.32 -0.01 0.00 -1.21 0.00 0.00 61.69 59.73 1j5c s THR 4 Cb -0.11 -1.60 -0.01 0.00 -1.51 0.00 0.00 72.50 69.27 1j5c s THR 4 CO 0.42 -0.49 0.00 -0.69 -2.21 0.00 0.00 174.62 171.65 1j5c s VAL 5 N -3.92 0.05 0.27 5.08 1.01 0.44 -4.89 120.40 118.44 1j5c s VAL 5 Ca 0.11 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 61.61 1j5c s VAL 5 Cb 0.04 -0.13 -0.07 0.00 0.00 0.00 0.00 36.38 36.22 1j5c s VAL 5 CO -0.05 -0.21 0.61 -1.59 0.00 0.00 0.00 175.10 173.86 1j5c s LYS 6 N -0.61 3.84 -0.99 2.72 -2.85 -1.26 -2.81 119.74 117.78 1j5c s LYS 6 Ca -0.07 0.37 -0.20 0.00 -1.00 0.00 0.00 55.97 55.06 1j5c s LYS 6 Cb -0.04 -2.57 0.09 0.00 -2.06 0.00 0.00 37.83 33.25 1j5c s LYS 6 CO -0.00 0.24 1.29 -1.64 0.10 0.00 0.00 175.35 175.34 1j5c s MET 7 N -3.00 3.62 0.00 1.78 -1.94 0.27 -4.05 119.30 115.98 1j5c s MET 7 Ca 0.49 -1.50 0.00 0.00 -1.71 0.00 0.00 55.69 52.97 1j5c s MET 7 Cb -0.11 -5.13 0.00 0.00 2.01 0.00 0.00 34.83 31.60 1j5c s MET 7 CO 0.22 -1.98 0.00 0.41 -0.01 0.00 0.00 175.02 173.66 1j5c n GLY 8 N 6.08 0.30 3.00 -0.03 0.00 -1.24 -3.41 105.19 109.89 1j5c n GLY 8 Ca 0.29 -1.79 -0.11 0.00 0.00 0.00 0.00 46.02 44.41 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 -4.00 0.02 0.13 1.61 0.01 -1.11 -1.72 113.70 108.64 1j5c s SER 9 Ca 0.00 -0.08 -0.27 0.00 1.31 0.00 0.00 55.95 56.91 1j5c s SER 9 Cb 0.00 0.16 -0.04 0.00 0.21 0.00 0.00 66.02 66.36 1j5c s SER 9 CO 0.00 -0.18 1.60 -0.78 0.41 0.00 0.00 173.24 174.30 1j5c h ASP 10 N 5.26 -1.06 -0.76 2.44 3.58 -1.92 -0.60 116.42 123.36 1j5c h ASP 10 Ca -0.28 0.15 0.17 0.00 0.42 0.00 0.00 57.03 57.49 1j5c h ASP 10 Cb 1.20 0.44 -0.11 0.00 1.72 0.00 0.00 39.33 42.58 1j5c h ASP 10 CO 0.43 -0.38 0.18 0.28 -2.88 0.00 0.00 179.24 176.87 1j5c h SER 11 N -0.44 0.00 0.00 2.28 0.02 -2.01 -3.46 113.55 109.94 1j5c h SER 11 Ca 0.08 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1j5c h SER 11 Cb 0.57 0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.32 1j5c h SER 11 CO -0.34 -0.06 0.00 0.61 -1.14 0.00 0.00 176.83 175.91 1j5c n GLY 12 N -1.36 1.19 3.35 -3.77 0.00 -0.23 -5.17 105.19 99.20 1j5c n GLY 12 Ca 0.15 -0.56 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.14 -1.20 4.61 0.00 -1.25 -4.96 121.76 117.82 1j5c s ALA 13 Ca 0.00 0.98 -0.08 0.00 0.00 0.00 0.00 51.96 52.86 1j5c s ALA 13 Cb 0.00 -0.34 -0.07 0.00 0.00 0.00 0.00 23.12 22.71 1j5c s ALA 13 CO 0.00 -0.26 2.44 1.47 0.00 0.00 0.00 175.76 179.40 1j5c n LEU 14 N 1.95 6.45 -3.70 0.00 -0.00 -1.26 -2.74 117.00 117.69 1j5c n LEU 14 Ca -0.17 -3.51 -0.11 0.00 -0.00 0.00 0.00 56.01 52.22 1j5c n LEU 14 Cb 0.57 -1.29 -0.12 0.00 -0.00 0.00 0.00 43.42 42.57 1j5c n LEU 14 CO 0.17 1.16 -0.05 0.68 -0.00 0.00 0.00 177.39 179.35 1j5c s VAL 15 N 2.99 -0.12 -0.16 1.47 -7.23 -1.26 -3.99 120.40 112.10 1j5c s VAL 15 Ca 0.52 0.14 -0.29 0.00 -1.81 0.00 0.00 61.98 60.54 1j5c s VAL 15 Cb 0.13 -0.49 -0.01 0.00 0.56 0.00 0.00 36.38 36.57 1j5c s VAL 15 CO -0.04 0.06 1.21 -0.36 -0.31 0.00 0.00 175.10 175.66 1j5c s PHE 16 N 1.53 2.99 -0.07 2.82 0.08 -1.25 -2.90 117.98 121.18 1j5c s PHE 16 Ca -0.08 1.13 0.01 0.00 0.12 0.00 0.00 56.93 58.11 1j5c s PHE 16 Cb -0.10 -3.45 0.02 0.00 -0.57 0.00 0.00 43.02 38.93 1j5c s PHE 16 CO -0.10 -1.40 -0.07 -2.00 -0.10 0.00 0.00 175.22 171.54 1j5c s GLU 17 N 3.25 1.22 0.36 0.44 2.56 -0.70 -0.66 118.70 125.17 1j5c s GLU 17 Ca 0.53 -0.19 -0.26 0.00 0.00 0.00 0.00 54.97 55.04 1j5c s GLU 17 Cb -0.21 -1.21 -0.09 0.00 2.00 0.00 0.00 34.13 34.62 1j5c s GLU 17 CO 0.14 -0.14 1.06 -1.25 -0.56 0.00 0.00 175.26 174.52 1j5c s PRO 18 N 1.22 4.33 0.05 4.30 0.04 -1.26 -4.06 135.00 139.62 1j5c s PRO 18 Ca -0.05 1.60 -0.21 0.00 0.04 0.00 0.00 61.00 62.38 1j5c s PRO 18 Cb -0.14 -2.77 -0.13 0.00 0.04 0.00 0.00 34.50 31.50 1j5c s PRO 18 CO -0.02 -0.01 1.43 0.66 0.04 0.00 0.00 177.00 179.10 1j5c h SER 19 N 2.96 0.29 -3.45 6.66 4.64 -1.24 -3.43 113.55 119.98 1j5c h SER 19 Ca -0.48 -0.38 -0.67 0.00 -0.47 0.00 0.00 61.79 59.80 1j5c h SER 19 Cb 1.21 -0.08 -0.19 0.00 -0.31 0.00 0.00 62.40 63.04 1j5c h SER 19 CO 0.64 0.60 -0.66 -0.89 -0.87 0.00 0.00 176.83 175.65 1j5c s THR 20 N -4.71 3.96 -0.05 2.95 2.01 -1.25 -2.29 115.64 116.27 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 0.05 -2.67 0.02 0.00 0.01 0.00 0.00 72.50 69.91 1j5c s THR 20 CO 0.73 0.57 0.12 0.68 -0.69 0.00 0.00 174.62 176.02 1j5c s VAL 21 N -0.47 -0.02 0.30 3.82 -7.23 -1.25 -5.06 120.40 110.50 1j5c s VAL 21 Ca 0.07 0.06 -0.27 0.00 -1.81 0.00 0.00 61.98 60.03 1j5c s VAL 21 Cb -0.12 -0.18 -0.09 0.00 0.56 0.00 0.00 36.38 36.55 1j5c s VAL 21 CO 0.02 0.03 0.98 0.42 -0.31 0.00 0.00 175.10 176.23 1j5c s THR 22 N 0.43 4.01 0.33 5.32 -4.23 -1.26 -3.34 115.64 116.90 1j5c s THR 22 Ca -0.03 1.80 0.07 0.00 -1.18 0.00 0.00 61.69 62.35 1j5c s THR 22 Cb -0.05 -4.06 -0.03 0.00 1.34 0.00 0.00 72.50 69.71 1j5c s THR 22 CO -0.02 0.26 0.29 0.00 -0.54 0.00 0.00 174.62 174.61 1j5c n ILE 23 N 0.84 0.00 -4.77 2.99 3.06 -0.86 -4.85 119.36 115.76 1j5c n ILE 23 Ca 0.01 -2.34 -0.33 0.00 -2.50 0.00 0.00 62.75 57.59 1j5c n ILE 23 Cb 0.48 1.18 -0.07 0.00 0.54 0.00 0.00 39.64 41.77 1j5c n ILE 23 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 1j5c s LYS 24 N -3.29 2.21 -1.12 9.51 1.02 -1.26 -2.13 119.74 124.68 1j5c s LYS 24 Ca 0.38 -2.43 -0.14 0.00 0.02 0.00 0.00 55.97 53.80 1j5c s LYS 24 Cb 0.02 -1.51 0.18 0.00 -0.52 0.00 0.00 37.83 36.00 1j5c s LYS 24 CO 0.27 -0.39 1.29 0.00 -0.92 0.00 0.00 175.35 175.60 1j5c s ALA 25 N -2.90 3.98 0.00 5.17 0.00 -1.25 -3.49 121.76 123.26 1j5c s ALA 25 Ca 0.03 -3.30 0.00 0.00 0.00 0.00 0.00 51.96 48.69 1j5c s ALA 25 Cb 0.01 -4.00 0.00 0.00 0.00 0.00 0.00 23.12 19.13 1j5c s ALA 25 CO 0.02 -2.71 0.00 0.41 0.00 0.00 0.00 175.76 173.48 1j5c n GLY 26 N 4.19 0.58 3.06 0.00 0.00 0.52 -4.87 105.19 108.67 1j5c n GLY 26 Ca 0.31 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.07 -4.47 1.61 -0.58 -1.18 -4.62 120.64 109.32 1j5c n GLU 27 Ca 0.00 -1.57 -0.23 0.00 -0.42 0.00 0.00 57.16 54.94 1j5c n GLU 27 Cb 0.00 -1.27 -0.09 0.00 -0.57 0.00 0.00 31.44 29.50 1j5c n GLU 27 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1j5c s GLU 28 N -5.23 1.76 -0.07 3.49 8.01 -1.26 0.83 118.70 126.24 1j5c s GLU 28 Ca 0.61 -2.03 -0.03 0.00 0.01 0.00 0.00 54.97 53.54 1j5c s GLU 28 Cb -0.04 -0.72 0.04 0.00 -4.31 0.00 0.00 34.13 29.10 1j5c s GLU 28 CO 0.45 -0.33 0.10 0.08 0.01 0.00 0.00 175.26 175.57 1j5c s VAL 29 N -3.29 -0.16 -0.07 2.63 1.01 0.40 -3.21 120.40 117.71 1j5c s VAL 29 Ca 0.30 0.34 -0.11 0.00 0.00 0.00 0.00 61.98 62.51 1j5c s VAL 29 Cb 0.06 -0.25 -0.05 0.00 0.00 0.00 0.00 36.38 36.14 1j5c s VAL 29 CO 0.15 0.12 0.26 -0.75 0.00 0.00 0.00 175.10 174.88 1j5c s LYS 30 N 2.21 3.69 -0.33 2.72 2.20 -1.14 -2.16 119.74 126.94 1j5c s LYS 30 Ca 0.04 0.11 0.02 0.00 -0.36 0.00 0.00 55.97 55.79 1j5c s LYS 30 Cb -0.12 -3.22 0.10 0.00 -1.51 0.00 0.00 37.83 33.08 1j5c s LYS 30 CO -0.05 0.71 0.07 -1.58 -0.36 0.00 0.00 175.35 174.14 1j5c s TRP 31 N -0.96 2.96 0.13 4.03 0.51 -0.96 -0.42 118.94 124.22 1j5c s TRP 31 Ca 0.19 -2.51 -0.19 0.00 -2.12 0.00 0.00 56.10 51.47 1j5c s TRP 31 Cb -0.14 -2.45 -0.07 0.00 -0.81 0.00 0.00 33.47 30.00 1j5c s TRP 31 CO 0.08 -0.92 0.61 0.54 -0.51 0.00 0.00 176.95 176.75 1j5c s VAL 32 N 1.18 4.70 -0.28 4.03 0.11 -1.12 -2.88 120.40 126.14 1j5c s VAL 32 Ca 0.10 1.18 -0.26 0.00 -2.93 0.00 0.00 61.98 60.07 1j5c s VAL 32 Cb -0.18 -3.87 0.00 0.00 -1.53 0.00 0.00 36.38 30.80 1j5c s VAL 32 CO -0.15 0.40 0.90 0.21 -3.33 0.00 0.00 175.10 173.14 1j5c s ASN 33 N -1.38 6.84 -0.19 3.54 2.47 -1.26 -0.57 114.94 124.39 1j5c s ASN 33 Ca 0.35 0.97 -0.16 0.00 0.42 0.00 0.00 52.86 54.43 1j5c s ASN 33 Cb -0.18 -2.47 -0.07 0.00 -1.45 0.00 0.00 41.25 37.08 1j5c s ASN 33 CO 0.20 -0.66 -0.29 -3.20 -3.72 0.00 0.00 177.10 169.44 1j5c n ASN 34 N 6.32 1.92 -1.02 -4.21 5.15 -1.23 -4.36 115.26 117.82 1j5c n ASN 34 Ca 0.07 0.39 -0.00 0.00 -0.60 0.00 0.00 54.58 54.45 1j5c n ASN 34 Cb 0.47 -0.79 0.00 0.00 -0.53 0.00 0.00 39.78 38.93 1j5c n ASN 34 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1j5c n LYS 35 N -4.45 0.00 -2.41 1.20 5.02 -1.22 -4.90 118.16 111.41 1j5c n LYS 35 Ca -0.22 -0.01 -0.00 0.00 -2.02 0.00 0.00 58.31 56.06 1j5c n LYS 35 Cb 0.56 0.01 0.00 0.00 -0.02 0.00 0.00 35.03 35.58 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 -4.83 -4.42 -0.35 4.32 -1.26 -4.75 117.00 105.71 1j5c n LEU 36 Ca 0.00 -0.03 -0.21 0.00 -0.02 0.00 0.00 56.01 55.74 1j5c n LEU 36 Cb 0.00 -2.36 -0.10 0.00 -1.62 0.00 0.00 43.42 39.34 1j5c n LEU 36 CO 0.00 -0.68 -0.43 -0.44 -1.22 0.00 0.00 177.39 174.62 1j5c s SER 37 N -2.57 3.04 0.78 -1.43 0.01 -1.26 -4.23 113.70 108.05 1j5c s SER 37 Ca 0.00 -1.07 -0.11 0.00 1.31 0.00 0.00 55.95 56.08 1j5c s SER 37 Cb -0.00 -0.21 0.06 0.00 0.21 0.00 0.00 66.02 66.07 1j5c s SER 37 CO 0.44 -0.14 1.09 -2.16 0.41 0.00 0.00 173.24 172.89 1j5c s PRO 38 N -3.61 2.21 -0.27 12.44 0.04 -1.26 -5.12 135.00 139.43 1j5c s PRO 38 Ca 0.27 0.68 -0.28 0.00 0.04 0.00 0.00 61.00 61.71 1j5c s PRO 38 Cb -0.01 -1.93 0.18 0.00 0.04 0.00 0.00 34.50 32.78 1j5c s PRO 38 CO 0.11 -1.54 1.31 -3.38 0.04 0.00 0.00 177.00 173.54 1j5c s HIS 39 N -3.14 -0.10 0.34 0.56 -3.43 -1.25 -4.41 115.29 103.85 1j5c s HIS 39 Ca 0.60 0.20 0.04 0.00 -0.80 0.00 0.00 55.06 55.10 1j5c s HIS 39 Cb -0.14 0.48 -0.03 0.00 -1.43 0.00 0.00 32.58 31.45 1j5c s HIS 39 CO 0.54 -0.09 0.15 1.21 -2.00 0.00 0.00 174.74 174.56 1j5c s ASN 40 N -0.81 1.96 -0.59 7.38 3.84 -1.26 -3.40 114.94 122.05 1j5c s ASN 40 Ca 0.07 -1.59 0.04 0.00 0.21 0.00 0.00 52.86 51.59 1j5c s ASN 40 Cb -0.02 0.40 0.15 0.00 -0.55 0.00 0.00 41.25 41.24 1j5c s ASN 40 CO -0.08 -0.89 0.38 -0.63 -2.79 0.00 0.00 177.10 173.09 1j5c s ILE 41 N -3.46 2.36 0.06 -5.21 1.09 -1.26 -4.28 121.20 110.50 1j5c s ILE 41 Ca 0.33 -3.63 -0.25 0.00 -1.10 0.00 0.00 60.65 55.99 1j5c s ILE 41 Cb 0.04 -2.59 -0.06 0.00 -1.06 0.00 0.00 42.46 38.80 1j5c s ILE 41 CO 0.17 -0.96 0.78 -0.69 -0.10 0.00 0.00 174.94 174.14 1j5c s VAL 42 N -0.76 4.67 0.07 2.92 1.01 -1.25 -2.15 120.40 124.91 1j5c s VAL 42 Ca 0.23 1.66 0.04 0.00 0.00 0.00 0.00 61.98 63.91 1j5c s VAL 42 Cb -0.12 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 1j5c s VAL 42 CO -0.10 0.38 -0.00 -0.36 0.00 0.00 0.00 175.10 175.02 1j5c s PHE 43 N -0.20 3.00 0.16 5.22 0.40 -1.26 -1.94 117.98 123.37 1j5c s PHE 43 Ca 0.39 -0.01 0.04 0.00 -0.60 0.00 0.00 56.93 56.75 1j5c s PHE 43 Cb -0.21 -1.57 -0.04 0.00 0.51 0.00 0.00 43.02 41.72 1j5c s PHE 43 CO 0.24 0.47 0.19 0.00 0.70 0.00 0.00 175.22 176.82 1j5c s ALA 44 N -1.25 3.71 -1.12 5.36 0.00 -0.14 -4.73 121.76 123.59 1j5c s ALA 44 Ca 0.24 -1.15 -0.08 0.00 0.00 0.00 0.00 51.96 50.96 1j5c s ALA 44 Cb -0.12 -1.51 0.28 0.00 0.00 0.00 0.00 23.12 21.77 1j5c s ALA 44 CO 0.16 0.51 1.26 0.00 0.00 0.00 0.00 175.76 177.69 1j5c n ALA 45 N -0.43 4.49 -3.14 0.00 0.00 -1.26 -4.52 120.51 115.65 1j5c n ALA 45 Ca -0.08 -4.66 -0.40 0.00 0.00 0.00 0.00 53.44 48.30 1j5c n ALA 45 Cb 0.54 -2.49 -0.10 0.00 0.00 0.00 0.00 19.45 17.40 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 0.61 5.64 0.00 0.00 -1.08 -1.26 -4.55 116.67 116.03 1j5c s ASP 46 Ca 0.32 -1.32 0.00 0.00 -0.52 0.00 0.00 52.55 51.03 1j5c s ASP 46 Cb -0.05 -1.99 0.00 0.00 -1.46 0.00 0.00 42.92 39.42 1j5c s ASP 46 CO -0.02 -0.48 0.00 0.61 0.52 0.00 0.00 175.17 175.80 1j5c n GLY 47 N 4.93 1.85 3.92 2.66 0.00 -1.26 -4.85 105.19 112.45 1j5c n GLY 47 Ca -0.11 -0.35 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.40 2.69 0.60 1.61 1.01 -1.26 -5.04 120.40 119.61 1j5c s VAL 48 Ca 0.00 -0.15 -0.18 0.00 0.00 0.00 0.00 61.98 61.65 1j5c s VAL 48 Cb 0.00 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 1j5c s VAL 48 CO 0.00 -0.16 1.18 -1.81 0.00 0.00 0.00 175.10 174.31 1j5c s ASP 49 N -4.46 5.20 0.03 3.32 1.01 -1.26 -4.85 116.67 115.66 1j5c s ASP 49 Ca 0.58 2.28 -0.27 0.00 0.71 0.00 0.00 52.55 55.86 1j5c s ASP 49 Cb -0.11 -2.59 -0.17 0.00 1.01 0.00 0.00 42.92 41.07 1j5c s ASP 49 CO 0.45 -1.58 1.35 0.00 0.21 0.00 0.00 175.17 175.60 1j5c h ALA 50 N 0.72 -0.50 -0.51 5.23 0.00 -1.96 -1.59 119.26 120.64 1j5c h ALA 50 Ca -0.50 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 54.35 1j5c h ALA 50 Cb 1.28 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 19.17 1j5c h ALA 50 CO 0.55 -0.66 -0.12 -0.44 0.00 0.00 0.00 179.25 178.58 1j5c h ASP 51 N -0.74 -0.46 0.09 0.00 3.32 -1.98 0.32 116.42 116.98 1j5c h ASP 51 Ca -0.05 0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.16 1j5c h ASP 51 Cb 0.51 0.31 -0.03 0.00 0.22 0.00 0.00 39.33 40.34 1j5c h ASP 51 CO 0.08 -0.16 -0.33 0.74 -1.72 0.00 0.00 179.24 177.85 1j5c h THR 52 N 0.01 0.00 -0.14 0.35 2.02 -1.92 0.24 112.91 113.47 1j5c h THR 52 Ca 0.25 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.47 1j5c h THR 52 Cb 0.38 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 1j5c h THR 52 CO -0.52 0.00 0.34 0.00 0.37 0.00 0.00 175.52 175.71 1j5c h ALA 53 N -0.95 1.60 0.02 6.16 0.00 -0.67 0.16 119.26 125.57 1j5c h ALA 53 Ca -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1j5c h ALA 53 Cb 0.48 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1j5c h ALA 53 CO -0.17 -0.41 -0.01 0.00 0.00 0.00 0.00 179.25 178.66 1j5c h ALA 54 N 1.45 -0.02 -0.23 0.00 0.00 0.30 1.39 119.26 122.16 1j5c h ALA 54 Ca 0.07 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1j5c h ALA 54 Cb 0.74 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1j5c h ALA 54 CO -0.00 -0.40 -0.29 -0.22 0.00 0.00 0.00 179.25 178.33 1j5c h LYS 55 N -0.24 0.45 -0.00 0.00 3.64 0.20 -1.41 116.57 119.21 1j5c h LYS 55 Ca -0.00 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1j5c h LYS 55 Cb 0.23 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1j5c h LYS 55 CO 0.00 0.70 -0.10 1.28 -2.27 0.00 0.00 179.45 179.07 1j5c n LEU 56 N -4.10 0.25 -4.55 5.20 4.32 -0.52 -4.70 117.00 112.91 1j5c n LEU 56 Ca -0.01 0.18 -0.41 0.00 -0.02 0.00 0.00 56.01 55.75 1j5c n LEU 56 Cb 0.43 -0.28 -0.08 0.00 -1.62 0.00 0.00 43.42 41.86 1j5c n LEU 56 CO 0.42 0.05 0.16 -0.55 -1.22 0.00 0.00 177.39 176.25 1j5c s SER 57 N -2.66 6.27 -0.64 -1.43 0.15 0.47 -4.45 113.70 111.41 1j5c s SER 57 Ca 0.24 -0.14 -0.26 0.00 0.70 0.00 0.00 55.95 56.49 1j5c s SER 57 Cb 0.20 -2.24 0.04 0.00 -1.71 0.00 0.00 66.02 62.30 1j5c s SER 57 CO 0.50 -0.44 1.14 -1.00 1.20 0.00 0.00 173.24 174.64 1j5c s HIS 58 N 2.26 2.55 0.03 3.44 3.76 -0.92 -4.83 115.29 121.58 1j5c s HIS 58 Ca 0.16 0.03 0.04 0.00 -0.15 0.00 0.00 55.06 55.13 1j5c s HIS 58 Cb -0.16 -4.43 -0.25 0.00 1.11 0.00 0.00 32.58 28.86 1j5c s HIS 58 CO 0.13 -1.71 0.94 0.87 -0.85 0.00 0.00 174.74 174.11 1j5c h LYS 59 N 9.66 0.12 -6.37 1.40 1.57 -1.90 -3.32 116.57 117.74 1j5c h LYS 59 Ca -0.27 -0.20 -0.54 0.00 -1.87 0.00 0.00 60.65 57.77 1j5c h LYS 59 Cb 1.06 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.42 1j5c h LYS 59 CO 1.20 0.94 0.30 0.20 -0.57 0.00 0.00 179.45 181.52 1j5c s GLY 60 N -4.92 2.87 0.80 3.86 0.00 -1.26 -5.03 107.32 103.63 1j5c s GLY 60 Ca -0.05 0.45 -0.04 0.00 0.00 0.00 0.00 44.72 45.08 1j5c s GLY 60 CO 0.84 1.51 1.09 0.48 0.00 0.00 0.00 173.10 177.01 1j5c s LEU 61 N 0.68 2.90 0.05 0.66 -0.00 -1.26 -4.77 118.68 116.94 1j5c s LEU 61 Ca 0.47 -0.30 -0.01 0.00 -0.00 0.00 0.00 54.13 54.29 1j5c s LEU 61 Cb -0.21 -1.90 -0.03 0.00 -0.00 0.00 0.00 46.19 44.05 1j5c s LEU 61 CO 0.26 -2.16 -0.02 0.00 -0.00 0.00 0.00 176.35 174.44 1j5c s ALA 62 N -3.35 0.38 0.00 1.48 0.00 -1.22 -5.04 121.76 114.02 1j5c s ALA 62 Ca 0.69 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1j5c s ALA 62 Cb -0.04 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.33 1j5c s ALA 62 CO 0.47 -0.33 0.00 1.19 0.00 0.00 0.00 175.76 177.09 1j5c n PHE 63 N 0.42 0.00 -2.75 0.00 3.01 -1.26 -3.84 117.46 113.04 1j5c n PHE 63 Ca -0.16 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 57.89 1j5c n PHE 63 Cb 0.60 0.23 -0.05 0.00 -0.01 0.00 0.00 39.48 40.25 1j5c n PHE 63 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1j5c s ALA 64 N -1.80 3.29 -1.25 4.37 0.00 -1.26 -4.94 121.76 120.17 1j5c s ALA 64 Ca 0.00 0.58 -0.19 0.00 0.00 0.00 0.00 51.96 52.35 1j5c s ALA 64 Cb 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.89 1j5c s ALA 64 CO 0.00 0.08 1.87 0.00 0.00 0.00 0.00 175.76 177.71 1j5c n ALA 65 N 2.25 3.31 0.00 0.00 0.00 -1.26 -3.16 120.51 121.65 1j5c n ALA 65 Ca 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 53.44 49.86 1j5c n ALA 65 Cb 0.48 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.37 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 5.27 0.14 3.55 0.00 0.00 -1.26 -4.96 105.19 107.93 1j5c n GLY 66 Ca 0.48 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.03 2.90 -0.08 1.61 2.02 -1.19 -4.87 118.70 118.07 1j5c s GLU 67 Ca 0.00 0.18 0.01 0.00 0.02 0.00 0.00 54.97 55.18 1j5c s GLU 67 Cb 0.00 -4.29 -0.03 0.00 0.10 0.00 0.00 34.13 29.91 1j5c s GLU 67 CO 0.00 -2.45 -0.09 -1.12 0.02 0.00 0.00 175.26 171.62 1j5c s SER 68 N 5.96 4.45 0.64 -0.19 0.01 -1.26 -4.49 113.70 118.81 1j5c s SER 68 Ca 0.51 -0.10 0.01 0.00 1.31 0.00 0.00 55.95 57.68 1j5c s SER 68 Cb -0.10 -1.19 0.08 0.00 0.21 0.00 0.00 66.02 65.02 1j5c s SER 68 CO 0.18 0.32 0.89 -0.36 0.41 0.00 0.00 173.24 174.68 1j5c s PHE 69 N -0.58 2.14 -0.00 2.43 0.08 -1.14 -4.91 117.98 116.00 1j5c s PHE 69 Ca 0.08 -0.18 -0.09 0.00 0.12 0.00 0.00 56.93 56.87 1j5c s PHE 69 Cb -0.12 -2.84 0.01 0.00 -0.57 0.00 0.00 43.02 39.50 1j5c s PHE 69 CO 0.02 -1.31 0.17 0.99 -0.10 0.00 0.00 175.22 174.99 1j5c s THR 70 N -2.95 0.08 -0.09 0.64 2.01 -1.26 -2.27 115.64 111.80 1j5c s THR 70 Ca 0.62 -0.64 -0.04 0.00 0.31 0.00 0.00 61.69 61.94 1j5c s THR 70 Cb -0.08 -0.46 0.04 0.00 0.01 0.00 0.00 72.50 72.02 1j5c s THR 70 CO 0.41 -0.35 0.21 -0.94 -0.69 0.00 0.00 174.62 173.26 1j5c s SER 71 N -1.35 -0.18 -0.12 3.53 1.04 -0.92 -4.98 113.70 110.73 1j5c s SER 71 Ca -0.14 0.44 -0.20 0.00 0.48 0.00 0.00 55.95 56.53 1j5c s SER 71 Cb -0.07 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.35 1j5c s SER 71 CO 0.02 -0.16 0.55 -0.89 0.98 0.00 0.00 173.24 173.74 1j5c s THR 72 N 1.28 5.13 -0.59 2.02 2.01 -1.26 -0.45 115.64 123.78 1j5c s THR 72 Ca -0.09 1.10 -0.18 0.00 0.31 0.00 0.00 61.69 62.84 1j5c s THR 72 Cb -0.11 -3.89 0.11 0.00 0.01 0.00 0.00 72.50 68.63 1j5c s THR 72 CO -0.08 0.27 0.65 -0.36 -0.69 0.00 0.00 174.62 174.41 1j5c s PHE 73 N 0.89 3.09 -0.25 4.92 0.40 0.24 -4.85 117.98 122.43 1j5c s PHE 73 Ca 0.29 -1.09 -0.14 0.00 -0.60 0.00 0.00 56.93 55.39 1j5c s PHE 73 Cb -0.16 -3.95 -0.15 0.00 0.51 0.00 0.00 43.02 39.27 1j5c s PHE 73 CO 0.12 -1.21 -0.15 2.41 0.70 0.00 0.00 175.22 177.10 1j5c n THR 74 N 5.42 1.54 -2.38 0.64 -1.04 -1.26 0.20 114.28 117.40 1j5c n THR 74 Ca -0.10 -0.32 -0.43 0.00 -2.04 0.00 0.00 64.05 61.16 1j5c n THR 74 Cb 0.42 -1.87 -0.02 0.00 -1.82 0.00 0.00 70.33 67.03 1j5c n THR 74 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1j5c s GLU 75 N -2.47 4.23 -1.12 -2.82 0.41 -1.26 -4.34 118.70 111.32 1j5c s GLU 75 Ca -0.35 1.72 -0.16 0.00 -0.41 0.00 0.00 54.97 55.77 1j5c s GLU 75 Cb 0.11 -3.79 -0.07 0.00 -1.78 0.00 0.00 34.13 28.61 1j5c s GLU 75 CO 0.54 -0.72 2.15 -0.35 -0.49 0.00 0.00 175.26 176.39 1j5c n PRO 76 N 6.67 2.27 0.00 0.39 -0.04 -1.26 -4.73 135.00 138.30 1j5c n PRO 76 Ca 0.14 -2.12 0.00 0.00 -0.04 0.00 0.00 63.50 61.48 1j5c n PRO 76 Cb 0.45 -3.00 0.00 0.00 -0.04 0.00 0.00 33.50 30.91 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 4.20 4.91 2.73 0.55 0.00 -1.26 -4.78 105.19 111.54 1j5c n GLY 77 Ca 0.52 -1.28 -0.19 0.00 0.00 0.00 0.00 46.02 45.08 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 3.69 -0.32 0.22 2.61 2.01 -1.26 -0.16 115.64 122.43 1j5c s THR 78 Ca 0.00 -0.33 -0.14 0.00 0.31 0.00 0.00 61.69 61.54 1j5c s THR 78 Cb 0.00 -0.82 -0.08 0.00 0.01 0.00 0.00 72.50 71.61 1j5c s THR 78 CO 0.00 -0.36 0.61 -0.31 -0.69 0.00 0.00 174.62 173.87 1j5c s TYR 79 N 2.31 3.50 0.01 4.92 1.51 -0.94 -4.88 117.35 123.78 1j5c s TYR 79 Ca 0.08 1.08 -0.04 0.00 -1.01 0.00 0.00 57.07 57.18 1j5c s TYR 79 Cb -0.15 -2.40 -0.01 0.00 -0.11 0.00 0.00 41.96 39.29 1j5c s TYR 79 CO -0.22 0.29 0.06 0.99 -1.11 0.00 0.00 175.55 175.56 1j5c s THR 80 N -1.70 0.10 0.15 -0.71 2.01 -1.26 -0.85 115.64 113.37 1j5c s THR 80 Ca 0.45 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.68 1j5c s THR 80 Cb -0.13 -0.37 -0.04 0.00 0.01 0.00 0.00 72.50 71.97 1j5c s THR 80 CO 0.20 -0.44 -0.02 -0.72 -0.69 0.00 0.00 174.62 172.95 1j5c s TYR 81 N -1.44 1.13 -0.43 4.92 1.13 -1.24 -0.96 117.35 120.46 1j5c s TYR 81 Ca -0.15 -0.97 0.06 0.00 -1.41 0.00 0.00 57.07 54.59 1j5c s TYR 81 Cb -0.09 -0.64 0.20 0.00 -1.10 0.00 0.00 41.96 40.33 1j5c s TYR 81 CO 0.00 -0.17 0.48 2.48 -2.51 0.00 0.00 175.55 175.83 1j5c n TYR 82 N -0.19 -1.47 -1.50 -3.49 0.18 -0.82 -4.70 117.16 105.17 1j5c n TYR 82 Ca -0.08 -2.93 -0.39 0.00 1.88 0.00 0.00 57.90 56.38 1j5c n TYR 82 Cb 0.62 0.43 -0.15 0.00 -0.38 0.00 0.00 39.34 39.86 1j5c n TYR 82 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1j5c h GLU 84 N 12.48 -0.12 -5.98 0.00 4.81 -1.94 -3.40 114.58 120.43 1j5c h GLU 84 Ca -0.06 0.01 -0.47 0.00 -0.13 0.00 0.00 59.36 58.71 1j5c h GLU 84 Cb 1.29 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.63 1j5c h GLU 84 CO 1.39 0.37 1.14 -1.25 -0.73 0.00 0.00 179.01 179.93 1j5c s PRO 85 N -3.88 3.04 0.03 0.92 0.04 -1.26 -4.14 135.00 129.75 1j5c s PRO 85 Ca -0.15 -0.49 0.00 0.00 0.04 0.00 0.00 61.00 60.40 1j5c s PRO 85 Cb 0.01 -4.98 0.00 0.00 0.04 0.00 0.00 34.50 29.57 1j5c s PRO 85 CO 0.60 -2.70 0.00 1.58 0.04 0.00 0.00 177.00 176.52 1j5c n HIS 86 N 11.30 -2.32 0.00 0.56 -0.00 -1.26 -3.84 115.22 119.66 1j5c n HIS 86 Ca 0.30 0.10 0.00 0.00 0.46 0.00 0.00 57.72 58.58 1j5c n HIS 86 Cb 0.49 0.66 0.00 0.00 -0.12 0.00 0.00 29.99 31.02 1j5c n HIS 86 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 1j5c n ARG 87 N -2.43 0.00 0.00 1.57 3.00 -1.26 -4.99 116.66 112.54 1j5c n ARG 87 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1j5c n ARG 87 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1j5c n ARG 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1j5c n GLY 88 N -1.18 0.74 0.78 5.14 0.00 -1.26 -5.09 105.19 104.32 1j5c n GLY 88 Ca 0.00 -0.81 -0.03 0.00 0.00 0.00 0.00 46.02 45.18 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 2.41 -1.22 4.61 0.00 -1.26 -5.12 120.51 119.92 1j5c n ALA 89 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1j5c n ALA 89 Cb 0.00 0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.65 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 2.91 -1.79 5.00 0.00 0.00 -1.26 -5.03 105.19 105.02 1j5c n GLY 90 Ca -0.04 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 0.00 0.00 1.61 1.56 -1.26 -4.88 117.12 114.15 1j5c n MET 91 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1j5c n MET 91 Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 1j5c n MET 91 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 1j5c n VAL 92 N 0.00 0.00 -2.03 1.12 0.31 -1.26 -4.28 118.33 112.19 1j5c n VAL 92 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1j5c n VAL 92 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1j5c n VAL 92 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j5c n GLY 93 N 0.00 -5.36 3.16 2.92 0.00 -1.26 -4.54 105.19 100.11 1j5c n GLY 93 Ca 0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.71 0.75 0.20 1.61 -2.85 -0.97 -3.69 119.74 114.08 1j5c s LYS 94 Ca 0.00 -0.98 0.10 0.00 -1.00 0.00 0.00 55.97 54.10 1j5c s LYS 94 Cb 0.00 0.29 -0.04 0.00 -2.06 0.00 0.00 37.83 36.02 1j5c s LYS 94 CO 0.00 -0.21 -0.21 0.08 0.10 0.00 0.00 175.35 175.11 1j5c s VAL 95 N -3.64 2.19 -0.05 1.79 1.01 -0.03 -3.87 120.40 117.79 1j5c s VAL 95 Ca 0.04 -2.09 0.02 0.00 0.00 0.00 0.00 61.98 59.95 1j5c s VAL 95 Cb 0.05 -2.07 0.01 0.00 0.00 0.00 0.00 36.38 34.37 1j5c s VAL 95 CO -0.10 -0.26 -0.09 -0.69 0.00 0.00 0.00 175.10 173.97 1j5c s VAL 96 N -2.02 0.86 0.04 2.92 1.01 -1.21 -2.21 120.40 119.78 1j5c s VAL 96 Ca 0.21 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 61.85 1j5c s VAL 96 Cb -0.06 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1j5c s VAL 96 CO 0.10 0.29 0.18 -0.69 0.00 0.00 0.00 175.10 174.97 1j5c s VAL 97 N 0.60 5.27 0.00 2.92 1.01 0.77 -2.03 120.40 128.94 1j5c s VAL 97 Ca -0.11 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1j5c s VAL 97 Cb -0.13 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1j5c s VAL 97 CO 0.02 0.19 0.00 -0.67 0.00 0.00 0.00 175.10 174.64