#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j5c s ASN 2 N 0.00 7.24 0.03 0.00 2.20 -1.26 -3.28 114.94 119.88 1j5c s ASN 2 Ca 0.00 2.15 -0.04 0.00 -0.94 0.00 0.00 52.86 54.03 1j5c s ASN 2 Cb 0.00 -2.61 -0.02 0.00 -2.00 0.00 0.00 41.25 36.63 1j5c s ASN 2 CO 0.00 -0.23 0.06 0.00 -2.94 0.00 0.00 177.10 173.99 1j5c s ALA 3 N -0.40 0.01 0.04 3.54 0.00 -1.24 -5.01 121.76 118.70 1j5c s ALA 3 Ca 0.49 -0.60 -0.03 0.00 0.00 0.00 0.00 51.96 51.81 1j5c s ALA 3 Cb -0.30 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 1j5c s ALA 3 CO 0.36 -0.29 0.04 -0.08 0.00 0.00 0.00 175.76 175.80 1j5c s THR 4 N -2.46 0.15 -0.01 0.00 -1.32 -1.26 -2.65 115.64 108.09 1j5c s THR 4 Ca -0.06 -1.21 0.01 0.00 -1.21 0.00 0.00 61.69 59.22 1j5c s THR 4 Cb -0.02 -0.90 -0.00 0.00 -1.51 0.00 0.00 72.50 70.07 1j5c s THR 4 CO -0.04 -0.67 -0.04 -0.69 -2.21 0.00 0.00 174.62 170.97 1j5c s VAL 5 N -2.66 0.35 0.15 5.08 1.01 -0.21 -4.43 120.40 119.69 1j5c s VAL 5 Ca -0.05 -0.18 -0.23 0.00 0.00 0.00 0.00 61.98 61.53 1j5c s VAL 5 Cb -0.01 -0.30 -0.08 0.00 0.00 0.00 0.00 36.38 35.99 1j5c s VAL 5 CO -0.05 0.10 0.72 -1.59 0.00 0.00 0.00 175.10 174.28 1j5c s LYS 6 N -0.04 4.44 -0.87 2.72 -2.85 -0.18 -3.03 119.74 119.92 1j5c s LYS 6 Ca 0.01 1.02 -0.25 0.00 -1.00 0.00 0.00 55.97 55.75 1j5c s LYS 6 Cb -0.02 -3.20 0.01 0.00 -2.06 0.00 0.00 37.83 32.56 1j5c s LYS 6 CO -0.00 0.56 1.61 -1.64 0.10 0.00 0.00 175.35 175.98 1j5c s MET 7 N -1.27 3.09 0.00 1.78 -1.94 0.09 -3.72 119.30 117.32 1j5c s MET 7 Ca 0.35 -0.47 0.00 0.00 -1.71 0.00 0.00 55.69 53.87 1j5c s MET 7 Cb -0.21 -4.90 0.00 0.00 2.01 0.00 0.00 34.83 31.72 1j5c s MET 7 CO 0.24 -2.60 0.00 0.41 -0.01 0.00 0.00 175.02 173.06 1j5c n GLY 8 N 6.41 -0.29 3.81 -0.03 0.00 -1.18 -3.52 105.19 110.38 1j5c n GLY 8 Ca 0.27 -1.63 -0.34 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.93 7.04 0.19 1.61 0.01 -1.23 -4.75 113.70 114.62 1j5c s SER 9 Ca 0.00 1.74 -0.25 0.00 1.31 0.00 0.00 55.95 58.75 1j5c s SER 9 Cb 0.00 -2.55 0.07 0.00 0.21 0.00 0.00 66.02 63.75 1j5c s SER 9 CO 0.00 -0.29 1.55 -0.78 0.41 0.00 0.00 173.24 174.13 1j5c h ASP 10 N 2.26 -1.71 -0.76 2.44 1.82 -1.95 0.87 116.42 119.39 1j5c h ASP 10 Ca -0.48 0.30 0.13 0.00 -0.39 0.00 0.00 57.03 56.59 1j5c h ASP 10 Cb 1.18 0.80 -0.09 0.00 0.68 0.00 0.00 39.33 41.90 1j5c h ASP 10 CO 0.62 -0.29 0.33 -1.28 -1.61 0.00 0.00 179.24 177.02 1j5c h SER 11 N -0.08 0.36 0.00 2.28 0.87 -2.03 -3.46 113.55 111.49 1j5c h SER 11 Ca 0.23 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 1j5c h SER 11 Cb 0.53 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1j5c h SER 11 CO -0.87 0.15 0.00 0.61 -0.53 0.00 0.00 176.83 176.19 1j5c n GLY 12 N -1.32 0.49 3.81 5.77 0.00 0.30 -5.14 105.19 109.10 1j5c n GLY 12 Ca 0.14 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.23 3.66 -1.48 4.61 0.00 -1.24 -4.89 121.76 122.19 1j5c s ALA 13 Ca 0.00 -0.99 -0.10 0.00 0.00 0.00 0.00 51.96 50.87 1j5c s ALA 13 Cb 0.00 -1.52 -0.07 0.00 0.00 0.00 0.00 23.12 21.54 1j5c s ALA 13 CO 0.00 0.75 2.72 1.28 0.00 0.00 0.00 175.76 180.52 1j5c n LEU 14 N 0.37 7.87 0.00 0.00 4.77 -1.26 -3.58 117.00 125.18 1j5c n LEU 14 Ca -0.08 -4.09 0.00 0.00 -0.03 0.00 0.00 56.01 51.81 1j5c n LEU 14 Cb 0.52 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.11 1j5c n LEU 14 CO 0.46 1.68 0.00 0.55 -1.33 0.00 0.00 177.39 178.75 1j5c n VAL 15 N 3.92 0.00 -3.96 4.08 3.14 -1.26 -4.08 118.33 120.17 1j5c n VAL 15 Ca 0.70 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.98 1j5c n VAL 15 Cb 0.24 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 32.92 1j5c n VAL 15 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 1j5c s PHE 16 N -4.64 0.23 -0.07 1.45 0.08 -1.26 -3.13 117.98 110.64 1j5c s PHE 16 Ca 0.00 -0.50 -0.05 0.00 0.12 0.00 0.00 56.93 56.51 1j5c s PHE 16 Cb 0.00 -0.17 0.03 0.00 -0.57 0.00 0.00 43.02 42.31 1j5c s PHE 16 CO 0.00 -0.26 0.17 -1.21 -0.10 0.00 0.00 175.22 173.83 1j5c s GLU 17 N -1.86 0.16 0.14 0.44 8.01 -1.24 -2.21 118.70 122.13 1j5c s GLU 17 Ca -0.12 0.33 -0.30 0.00 0.01 0.00 0.00 54.97 54.89 1j5c s GLU 17 Cb -0.06 -0.03 -0.07 0.00 -4.31 0.00 0.00 34.13 29.65 1j5c s GLU 17 CO -0.02 -0.09 1.13 -1.25 0.01 0.00 0.00 175.26 175.04 1j5c s PRO 18 N 0.64 4.54 0.21 0.39 0.04 -1.26 -1.01 135.00 138.55 1j5c s PRO 18 Ca -0.05 1.73 -0.15 0.00 0.04 0.00 0.00 61.00 62.58 1j5c s PRO 18 Cb -0.06 -3.30 0.24 0.00 0.04 0.00 0.00 34.50 31.42 1j5c s PRO 18 CO -0.03 -0.04 1.40 0.45 0.04 0.00 0.00 177.00 178.82 1j5c n SER 19 N 2.86 -0.55 -4.13 6.66 2.88 -0.94 -4.26 113.62 116.14 1j5c n SER 19 Ca 0.05 1.57 -0.25 0.00 -1.33 0.00 0.00 58.87 58.90 1j5c n SER 19 Cb 0.46 -0.37 -0.16 0.00 -0.75 0.00 0.00 64.21 63.39 1j5c n SER 19 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1j5c s THR 20 N -5.89 1.35 0.15 2.46 2.01 -1.26 -1.82 115.64 112.65 1j5c s THR 20 Ca -0.13 -0.69 0.03 0.00 0.31 0.00 0.00 61.69 61.21 1j5c s THR 20 Cb 0.19 -1.16 -0.04 0.00 0.01 0.00 0.00 72.50 71.50 1j5c s THR 20 CO 0.65 0.39 -0.04 -0.69 -0.69 0.00 0.00 174.62 174.24 1j5c s VAL 21 N -0.08 0.83 -0.09 3.82 1.01 -1.24 -5.05 120.40 119.60 1j5c s VAL 21 Ca -0.01 -1.99 -0.08 0.00 0.00 0.00 0.00 61.98 59.90 1j5c s VAL 21 Cb -0.10 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 1j5c s VAL 21 CO 0.01 -0.64 0.20 0.42 0.00 0.00 0.00 175.10 175.09 1j5c s THR 22 N -3.55 5.40 0.02 3.92 -4.23 -1.26 -2.31 115.64 113.64 1j5c s THR 22 Ca 0.19 0.32 -0.02 0.00 -1.18 0.00 0.00 61.69 61.01 1j5c s THR 22 Cb 0.05 -3.47 -0.02 0.00 1.34 0.00 0.00 72.50 70.40 1j5c s THR 22 CO 0.01 0.59 0.01 -0.51 -0.54 0.00 0.00 174.62 174.18 1j5c s ILE 23 N -1.06 0.12 0.40 2.99 -1.16 0.11 -4.37 121.20 118.23 1j5c s ILE 23 Ca 0.18 -1.02 0.05 0.00 -0.51 0.00 0.00 60.65 59.34 1j5c s ILE 23 Cb -0.13 -0.53 -0.00 0.00 0.61 0.00 0.00 42.46 42.41 1j5c s ILE 23 CO 0.07 -0.56 0.56 -0.54 -2.81 0.00 0.00 174.94 171.66 1j5c s LYS 24 N -1.92 3.01 -1.00 3.50 1.02 -1.20 0.15 119.74 123.30 1j5c s LYS 24 Ca -0.11 -0.88 -0.23 0.00 0.02 0.00 0.00 55.97 54.76 1j5c s LYS 24 Cb -0.06 -2.71 0.05 0.00 -0.52 0.00 0.00 37.83 34.58 1j5c s LYS 24 CO -0.02 -0.14 1.43 0.00 -0.92 0.00 0.00 175.35 175.70 1j5c s ALA 25 N -2.35 2.73 0.00 5.17 0.00 -1.24 -2.81 121.76 123.27 1j5c s ALA 25 Ca 0.48 -2.20 0.00 0.00 0.00 0.00 0.00 51.96 50.24 1j5c s ALA 25 Cb -0.10 -4.50 0.00 0.00 0.00 0.00 0.00 23.12 18.52 1j5c s ALA 25 CO 0.34 -3.58 0.00 0.41 0.00 0.00 0.00 175.76 172.93 1j5c n GLY 26 N 6.74 1.27 3.59 0.00 0.00 0.44 -4.85 105.19 112.38 1j5c n GLY 26 Ca 0.30 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.21 -4.41 1.61 -0.58 -1.12 -4.47 120.64 109.45 1j5c n GLU 27 Ca 0.00 -1.85 -0.21 0.00 -0.42 0.00 0.00 57.16 54.68 1j5c n GLU 27 Cb 0.00 -1.47 -0.09 0.00 -0.57 0.00 0.00 31.44 29.31 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 -5.62 1.71 -0.06 3.49 4.04 -1.26 -0.23 118.70 120.77 1j5c s GLU 28 Ca 0.71 -1.99 0.03 0.00 0.04 0.00 0.00 54.97 53.76 1j5c s GLU 28 Cb -0.04 -0.39 0.00 0.00 0.02 0.00 0.00 34.13 33.72 1j5c s GLU 28 CO 0.52 -0.42 -0.16 0.08 -1.84 0.00 0.00 175.26 173.45 1j5c s VAL 29 N -3.43 1.35 -0.16 1.83 1.01 0.12 -3.70 120.40 117.42 1j5c s VAL 29 Ca 0.32 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.57 1j5c s VAL 29 Cb 0.05 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 35.20 1j5c s VAL 29 CO 0.16 0.40 0.16 -0.75 0.00 0.00 0.00 175.10 175.07 1j5c s LYS 30 N 0.31 3.92 -0.34 2.72 2.20 -1.08 -1.95 119.74 125.52 1j5c s LYS 30 Ca -0.09 -0.14 0.03 0.00 -0.36 0.00 0.00 55.97 55.41 1j5c s LYS 30 Cb -0.14 -3.33 0.10 0.00 -1.51 0.00 0.00 37.83 32.95 1j5c s LYS 30 CO 0.03 0.48 0.07 -1.58 -0.36 0.00 0.00 175.35 173.99 1j5c s TRP 31 N -0.17 3.36 -0.01 4.03 0.51 -0.57 -1.05 118.94 125.04 1j5c s TRP 31 Ca 0.12 -2.77 -0.24 0.00 -2.12 0.00 0.00 56.10 51.09 1j5c s TRP 31 Cb -0.12 -2.69 -0.05 0.00 -0.81 0.00 0.00 33.47 29.80 1j5c s TRP 31 CO 0.01 -0.93 0.72 0.08 -0.51 0.00 0.00 176.95 176.32 1j5c s VAL 32 N 0.99 4.89 -0.03 4.03 1.01 -1.17 -1.83 120.40 128.29 1j5c s VAL 32 Ca 0.11 1.51 -0.30 0.00 0.00 0.00 0.00 61.98 63.30 1j5c s VAL 32 Cb -0.19 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 1j5c s VAL 32 CO -0.11 0.32 1.07 0.21 0.00 0.00 0.00 175.10 176.60 1j5c s ASN 33 N 0.28 7.22 -0.03 3.32 3.84 -1.26 -0.74 114.94 127.57 1j5c s ASN 33 Ca 0.37 1.71 -0.04 0.00 0.21 0.00 0.00 52.86 55.11 1j5c s ASN 33 Cb -0.19 -2.56 -0.01 0.00 -0.55 0.00 0.00 41.25 37.93 1j5c s ASN 33 CO 0.20 -0.42 -0.08 -3.20 -2.79 0.00 0.00 177.10 170.81 1j5c n ASN 34 N 4.50 0.57 -0.74 -4.21 5.15 -1.23 -4.12 115.26 115.18 1j5c n ASN 34 Ca 0.08 0.09 0.00 0.00 -0.60 0.00 0.00 54.58 54.15 1j5c n ASN 34 Cb 0.49 -0.43 0.00 0.00 -0.53 0.00 0.00 39.78 39.30 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 -3.06 0.00 -2.37 1.20 4.76 -1.24 -4.82 118.16 112.63 1j5c n LYS 35 Ca -0.03 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.41 1j5c n LYS 35 Cb 0.12 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.31 1j5c n LYS 35 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1j5c n LEU 36 N 0.00 -4.71 -4.46 -0.35 7.99 -1.26 -4.76 117.00 109.45 1j5c n LEU 36 Ca 0.00 -0.03 -0.23 0.00 -0.01 0.00 0.00 56.01 55.74 1j5c n LEU 36 Cb 0.00 -2.30 -0.10 0.00 -0.11 0.00 0.00 43.42 40.91 1j5c n LEU 36 CO 0.00 -0.65 -0.43 -0.44 -1.51 0.00 0.00 177.39 174.35 1j5c s SER 37 N -2.54 3.35 0.75 -1.43 0.01 -1.26 -4.22 113.70 108.36 1j5c s SER 37 Ca 0.00 -1.10 -0.11 0.00 1.31 0.00 0.00 55.95 56.06 1j5c s SER 37 Cb -0.00 -0.27 0.04 0.00 0.21 0.00 0.00 66.02 66.00 1j5c s SER 37 CO 0.42 -0.11 1.08 -2.16 0.41 0.00 0.00 173.24 172.88 1j5c s PRO 38 N -3.59 2.47 -0.29 12.44 0.04 -1.26 -5.17 135.00 139.64 1j5c s PRO 38 Ca 0.29 0.77 -0.28 0.00 0.04 0.00 0.00 61.00 61.82 1j5c s PRO 38 Cb -0.01 -1.95 0.19 0.00 0.04 0.00 0.00 34.50 32.77 1j5c s PRO 38 CO 0.14 -1.38 1.39 -3.38 0.04 0.00 0.00 177.00 173.80 1j5c s HIS 39 N -3.11 -0.03 0.19 0.56 -3.43 -1.26 -4.82 115.29 103.38 1j5c s HIS 39 Ca 0.59 0.07 0.02 0.00 -0.80 0.00 0.00 55.06 54.94 1j5c s HIS 39 Cb -0.14 0.49 -0.01 0.00 -1.43 0.00 0.00 32.58 31.49 1j5c s HIS 39 CO 0.54 -0.03 0.08 -1.71 -2.00 0.00 0.00 174.74 171.62 1j5c n ASN 40 N 0.79 0.93 -3.73 7.38 2.85 -1.26 -3.16 115.26 119.06 1j5c n ASN 40 Ca -0.03 -2.02 -0.28 0.00 -0.11 0.00 0.00 54.58 52.14 1j5c n ASN 40 Cb 0.58 0.52 -0.12 0.00 1.24 0.00 0.00 39.78 42.00 1j5c n ASN 40 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1j5c s ILE 41 N -2.30 1.97 0.40 -1.44 1.01 -1.25 -4.52 121.20 115.06 1j5c s ILE 41 Ca 0.11 -3.60 -0.23 0.00 0.00 0.00 0.00 60.65 56.93 1j5c s ILE 41 Cb 0.01 -2.31 -0.10 0.00 0.01 0.00 0.00 42.46 40.06 1j5c s ILE 41 CO 0.08 -1.06 0.96 -0.69 0.00 0.00 0.00 174.94 174.22 1j5c s VAL 42 N -0.79 4.27 -0.08 2.92 1.01 -1.25 -1.01 120.40 125.46 1j5c s VAL 42 Ca 0.26 1.57 0.04 0.00 0.00 0.00 0.00 61.98 63.85 1j5c s VAL 42 Cb -0.04 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1j5c s VAL 42 CO -0.16 -0.15 -0.20 -0.36 0.00 0.00 0.00 175.10 174.23 1j5c s PHE 43 N -1.96 2.16 0.69 5.22 0.40 -1.26 -2.61 117.98 120.62 1j5c s PHE 43 Ca 0.58 -0.85 -0.11 0.00 -0.60 0.00 0.00 56.93 55.95 1j5c s PHE 43 Cb -0.13 -1.48 0.00 0.00 0.51 0.00 0.00 43.02 41.93 1j5c s PHE 43 CO 0.18 -0.36 1.06 0.00 0.70 0.00 0.00 175.22 176.80 1j5c s ALA 44 N 0.41 2.77 -0.55 5.36 0.00 -0.70 -4.70 121.76 124.36 1j5c s ALA 44 Ca -0.16 -0.06 0.06 0.00 0.00 0.00 0.00 51.96 51.79 1j5c s ALA 44 Cb -0.17 -3.12 0.21 0.00 0.00 0.00 0.00 23.12 20.04 1j5c s ALA 44 CO 0.07 -1.13 0.54 0.00 0.00 0.00 0.00 175.76 175.25 1j5c n ALA 45 N -3.05 3.25 -0.91 0.00 0.00 -1.26 -4.71 120.51 113.84 1j5c n ALA 45 Ca 0.07 -4.02 0.00 0.00 0.00 0.00 0.00 53.44 49.48 1j5c n ALA 45 Cb 0.54 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.12 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 1.68 0.00 -0.11 0.00 8.00 -1.26 -4.54 116.55 120.31 1j5c n ASP 46 Ca 0.25 0.02 0.14 0.00 0.71 0.00 0.00 54.79 55.92 1j5c n ASP 46 Cb 0.44 -0.05 0.79 0.00 -0.02 0.00 0.00 41.12 42.28 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 2.43 -0.76 3.54 0.44 0.00 -1.26 -4.81 105.19 104.76 1j5c n GLY 47 Ca 0.00 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.99 2.80 0.92 1.61 1.01 -1.26 -5.08 120.40 118.41 1j5c s VAL 48 Ca 0.43 -2.22 -0.11 0.00 0.00 0.00 0.00 61.98 60.08 1j5c s VAL 48 Cb 0.20 -2.52 0.15 0.00 0.00 0.00 0.00 36.38 34.22 1j5c s VAL 48 CO 0.34 -0.38 1.12 -1.81 0.00 0.00 0.00 175.10 174.37 1j5c s ASP 49 N -3.58 2.93 -0.05 3.32 1.11 -1.26 -4.71 116.67 114.43 1j5c s ASP 49 Ca 0.31 2.01 -0.15 0.00 0.18 0.00 0.00 52.55 54.89 1j5c s ASP 49 Cb -0.05 -2.50 -0.10 0.00 1.07 0.00 0.00 42.92 41.33 1j5c s ASP 49 CO 0.17 -3.06 0.62 0.00 1.18 0.00 0.00 175.17 174.08 1j5c h ALA 50 N -1.84 -0.33 -0.21 5.23 0.00 -1.96 -2.30 119.26 117.85 1j5c h ALA 50 Ca -0.46 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.35 1j5c h ALA 50 Cb 1.27 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 19.12 1j5c h ALA 50 CO 0.45 -0.34 -0.42 -0.44 0.00 0.00 0.00 179.25 178.50 1j5c h ASP 51 N -1.02 -1.34 -0.33 0.00 3.32 -1.97 1.19 116.42 116.27 1j5c h ASP 51 Ca -0.03 0.19 0.06 0.00 0.02 0.00 0.00 57.03 57.26 1j5c h ASP 51 Cb 0.41 0.56 -0.08 0.00 0.22 0.00 0.00 39.33 40.43 1j5c h ASP 51 CO 0.06 -0.41 -0.43 0.74 -1.72 0.00 0.00 179.24 177.48 1j5c h THR 52 N -0.44 0.12 0.00 0.35 2.02 -1.96 0.80 112.91 113.80 1j5c h THR 52 Ca 0.09 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 1j5c h THR 52 Cb 0.61 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1j5c h THR 52 CO -0.45 0.00 -0.04 0.00 0.37 0.00 0.00 175.52 175.41 1j5c h ALA 53 N 0.32 1.46 0.28 6.16 0.00 -0.72 -0.80 119.26 125.95 1j5c h ALA 53 Ca 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1j5c h ALA 53 Cb 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1j5c h ALA 53 CO -0.53 0.05 -0.13 0.00 0.00 0.00 0.00 179.25 178.63 1j5c h ALA 54 N 1.96 -0.37 -0.76 0.00 0.00 0.80 1.39 119.26 122.27 1j5c h ALA 54 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1j5c h ALA 54 Cb 0.10 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1j5c h ALA 54 CO 0.00 -0.57 0.48 0.87 0.00 0.00 0.00 179.25 180.04 1j5c h LYS 55 N -0.66 1.02 0.00 0.00 1.57 -0.07 0.12 116.57 118.55 1j5c h LYS 55 Ca -0.04 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1j5c h LYS 55 Cb 0.46 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1j5c h LYS 55 CO 0.06 0.70 0.00 -0.07 -0.57 0.00 0.00 179.45 179.58 1j5c h LEU 56 N 1.04 0.00 -8.80 2.94 3.38 -1.07 -3.42 115.31 109.38 1j5c h LEU 56 Ca 0.28 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.66 1j5c h LEU 56 Cb -0.07 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.59 1j5c h LEU 56 CO -0.06 0.00 0.64 -0.55 0.09 0.00 0.00 178.44 178.57 1j5c s SER 57 N -5.55 6.66 -0.61 -0.43 0.15 0.48 -4.61 113.70 109.78 1j5c s SER 57 Ca 0.04 0.52 -0.27 0.00 0.70 0.00 0.00 55.95 56.94 1j5c s SER 57 Cb 0.08 -2.47 0.01 0.00 -1.71 0.00 0.00 66.02 61.92 1j5c s SER 57 CO 0.57 -0.93 1.52 -1.00 1.20 0.00 0.00 173.24 174.60 1j5c s HIS 58 N 3.62 2.08 -0.16 3.44 3.76 -0.18 -4.77 115.29 123.09 1j5c s HIS 58 Ca 0.39 0.43 0.21 0.00 -0.15 0.00 0.00 55.06 55.95 1j5c s HIS 58 Cb -0.11 -4.36 -0.13 0.00 1.11 0.00 0.00 32.58 29.09 1j5c s HIS 58 CO 0.21 -2.14 0.81 1.63 -0.85 0.00 0.00 174.74 174.40 1j5c n LYS 59 N 8.99 0.63 -2.42 1.40 5.02 -1.26 -3.87 118.16 126.65 1j5c n LYS 59 Ca 0.13 0.04 -0.37 0.00 -2.02 0.00 0.00 58.31 56.08 1j5c n LYS 59 Cb 0.50 -1.73 -0.04 0.00 -0.02 0.00 0.00 35.03 33.75 1j5c n LYS 59 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1j5c s GLY 60 N -4.52 0.94 0.28 0.72 0.00 -1.26 -4.96 107.32 98.53 1j5c s GLY 60 Ca -0.03 -1.99 -0.28 0.00 0.00 0.00 0.00 44.72 42.41 1j5c s GLY 60 CO 0.83 2.91 1.03 1.04 0.00 0.00 0.00 173.10 178.91 1j5c n LEU 61 N 10.31 1.81 -4.93 0.66 4.32 -1.26 -4.93 117.00 122.98 1j5c n LEU 61 Ca 0.33 1.18 -0.25 0.00 -0.02 0.00 0.00 56.01 57.25 1j5c n LEU 61 Cb 0.50 -1.29 0.01 0.00 -1.62 0.00 0.00 43.42 41.02 1j5c n LEU 61 CO 0.65 -1.36 0.35 0.00 -1.22 0.00 0.00 177.39 175.80 1j5c s ALA 62 N -0.96 3.57 0.27 -1.18 0.00 -1.19 -5.01 121.76 117.26 1j5c s ALA 62 Ca 0.60 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.73 1j5c s ALA 62 Cb -0.71 -2.33 0.00 0.00 0.00 0.00 0.00 23.12 20.07 1j5c s ALA 62 CO 0.59 -0.39 0.00 1.19 0.00 0.00 0.00 175.76 177.15 1j5c n PHE 63 N -2.17 -2.56 -2.89 0.00 3.72 -1.26 -4.18 117.46 108.11 1j5c n PHE 63 Ca 0.01 0.56 -0.41 0.00 -0.05 0.00 0.00 57.45 57.56 1j5c n PHE 63 Cb 0.57 1.12 -0.04 0.00 -0.94 0.00 0.00 39.48 40.19 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 -2.00 3.44 -1.21 4.37 0.00 -1.26 -4.95 121.76 120.15 1j5c s ALA 64 Ca 0.00 0.12 -0.21 0.00 0.00 0.00 0.00 51.96 51.87 1j5c s ALA 64 Cb 0.00 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 1j5c s ALA 64 CO 0.00 -0.51 1.88 0.00 0.00 0.00 0.00 175.76 177.13 1j5c n ALA 65 N 4.83 2.44 0.00 0.00 0.00 -1.26 -2.91 120.51 123.60 1j5c n ALA 65 Ca 0.04 -3.29 0.00 0.00 0.00 0.00 0.00 53.44 50.19 1j5c n ALA 65 Cb 0.49 -3.52 0.00 0.00 0.00 0.00 0.00 19.45 16.42 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 5.60 0.08 3.57 0.00 0.00 -1.26 -4.92 105.19 108.27 1j5c n GLY 66 Ca 0.46 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.93 3.36 0.38 1.61 8.01 -1.15 -4.78 118.70 125.21 1j5c s GLU 67 Ca 0.00 0.25 0.00 0.00 0.01 0.00 0.00 54.97 55.24 1j5c s GLU 67 Cb 0.00 -4.09 -0.02 0.00 -4.31 0.00 0.00 34.13 25.71 1j5c s GLU 67 CO 0.00 -1.88 0.59 -1.12 0.01 0.00 0.00 175.26 172.87 1j5c s SER 68 N 3.74 6.16 0.44 -0.19 0.01 -1.26 -4.48 113.70 118.11 1j5c s SER 68 Ca 0.46 0.41 0.06 0.00 1.31 0.00 0.00 55.95 58.19 1j5c s SER 68 Cb -0.09 -1.89 -0.04 0.00 0.21 0.00 0.00 66.02 64.21 1j5c s SER 68 CO 0.23 -0.42 0.15 -0.36 0.41 0.00 0.00 173.24 173.25 1j5c s PHE 69 N -2.40 2.41 0.00 2.43 0.08 -0.76 -4.95 117.98 114.79 1j5c s PHE 69 Ca 0.43 -0.67 -0.08 0.00 0.12 0.00 0.00 56.93 56.72 1j5c s PHE 69 Cb -0.10 -1.89 0.00 0.00 -0.57 0.00 0.00 43.02 40.47 1j5c s PHE 69 CO 0.37 0.17 0.16 0.99 -0.10 0.00 0.00 175.22 176.81 1j5c s THR 70 N -2.67 0.08 -0.09 0.64 2.01 -1.26 -1.51 115.64 112.84 1j5c s THR 70 Ca 0.35 -0.68 -0.04 0.00 0.31 0.00 0.00 61.69 61.63 1j5c s THR 70 Cb 0.04 -0.48 0.04 0.00 0.01 0.00 0.00 72.50 72.12 1j5c s THR 70 CO 0.19 -0.37 0.20 -0.94 -0.69 0.00 0.00 174.62 173.01 1j5c s SER 71 N -1.42 -0.11 -0.15 3.53 1.04 -0.82 -4.94 113.70 110.82 1j5c s SER 71 Ca -0.14 0.43 -0.08 0.00 0.48 0.00 0.00 55.95 56.64 1j5c s SER 71 Cb -0.07 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.34 1j5c s SER 71 CO 0.02 -0.17 0.13 -0.89 0.98 0.00 0.00 173.24 173.31 1j5c s THR 72 N 1.35 5.44 -0.40 2.02 2.01 -1.26 0.13 115.64 124.94 1j5c s THR 72 Ca -0.08 0.19 -0.01 0.00 0.31 0.00 0.00 61.69 62.10 1j5c s THR 72 Cb -0.11 -3.41 0.11 0.00 0.01 0.00 0.00 72.50 69.10 1j5c s THR 72 CO -0.07 0.56 0.17 -0.36 -0.69 0.00 0.00 174.62 174.22 1j5c s PHE 73 N -0.56 3.63 -1.42 4.92 0.08 0.67 -4.88 117.98 120.42 1j5c s PHE 73 Ca 0.13 -2.61 0.28 0.00 0.12 0.00 0.00 56.93 54.84 1j5c s PHE 73 Cb -0.12 -3.13 1.04 0.00 -0.57 0.00 0.00 43.02 40.24 1j5c s PHE 73 CO 0.02 -0.96 1.76 2.41 -0.10 0.00 0.00 175.22 178.35 1j5c n THR 74 N 4.44 0.00 -4.85 0.64 -1.04 -1.26 0.17 114.28 112.37 1j5c n THR 74 Ca 0.00 -0.05 -0.27 0.00 -2.04 0.00 0.00 64.05 61.69 1j5c n THR 74 Cb 0.41 -0.05 -0.15 0.00 -1.82 0.00 0.00 70.33 68.73 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 -2.67 1.60 0.91 -2.82 2.02 -1.26 -4.59 118.70 111.89 1j5c s GLU 75 Ca 0.22 -0.91 -0.12 0.00 0.02 0.00 0.00 54.97 54.19 1j5c s GLU 75 Cb 0.19 -1.66 0.13 0.00 0.10 0.00 0.00 34.13 32.90 1j5c s GLU 75 CO 0.53 0.44 1.13 -1.25 0.02 0.00 0.00 175.26 176.13 1j5c s PRO 76 N -0.93 1.19 0.00 0.39 0.04 -1.26 -4.89 135.00 129.53 1j5c s PRO 76 Ca 0.08 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.44 1j5c s PRO 76 Cb -0.09 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1j5c s PRO 76 CO 0.01 -2.17 0.00 0.41 0.04 0.00 0.00 177.00 175.29 1j5c n GLY 77 N -2.19 1.90 3.35 0.56 0.00 -1.00 -4.93 105.19 102.88 1j5c n GLY 77 Ca 0.07 -2.10 -0.35 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.52 3.52 0.25 2.61 2.01 -1.26 0.45 115.64 121.69 1j5c s THR 78 Ca 0.00 -0.45 0.06 0.00 0.31 0.00 0.00 61.69 61.61 1j5c s THR 78 Cb 0.00 -2.59 -0.03 0.00 0.01 0.00 0.00 72.50 69.89 1j5c s THR 78 CO 0.00 0.43 0.28 -0.31 -0.69 0.00 0.00 174.62 174.33 1j5c s TYR 79 N 1.27 3.24 -0.02 4.92 1.51 0.11 -4.91 117.35 123.47 1j5c s TYR 79 Ca 0.03 -0.08 -0.06 0.00 -1.01 0.00 0.00 57.07 55.95 1j5c s TYR 79 Cb -0.14 -1.51 0.01 0.00 -0.11 0.00 0.00 41.96 40.20 1j5c s TYR 79 CO -0.01 0.46 0.13 0.99 -1.11 0.00 0.00 175.55 176.01 1j5c s THR 80 N -2.08 0.05 -0.02 -0.71 2.01 -1.26 0.41 115.64 114.03 1j5c s THR 80 Ca 0.34 -0.40 0.03 0.00 0.31 0.00 0.00 61.69 61.97 1j5c s THR 80 Cb -0.08 -0.33 -0.00 0.00 0.01 0.00 0.00 72.50 72.10 1j5c s THR 80 CO 0.27 -0.22 -0.12 -0.72 -0.69 0.00 0.00 174.62 173.14 1j5c s TYR 81 N -0.75 1.17 -0.32 4.92 -0.85 -1.10 -1.72 117.35 118.71 1j5c s TYR 81 Ca -0.08 -0.27 0.00 0.00 -0.52 0.00 0.00 57.07 56.20 1j5c s TYR 81 Cb -0.05 -0.79 0.10 0.00 0.38 0.00 0.00 41.96 41.60 1j5c s TYR 81 CO 0.01 -0.07 0.10 1.52 -1.52 0.00 0.00 175.55 175.58 1j5c s TYR 82 N -0.06 2.10 -0.53 -3.49 1.13 -1.07 -4.43 117.35 111.00 1j5c s TYR 82 Ca 0.01 -2.01 -0.40 0.00 -1.41 0.00 0.00 57.07 53.25 1j5c s TYR 82 Cb -0.07 -1.95 -0.17 0.00 -1.10 0.00 0.00 41.96 38.67 1j5c s TYR 82 CO 0.00 -0.88 2.23 0.00 -2.51 0.00 0.00 175.55 174.39 1j5c h GLU 84 N 10.46 -0.31 -3.48 0.00 5.08 -1.94 -3.34 114.58 121.05 1j5c h GLU 84 Ca -0.14 0.02 -0.54 0.00 -1.00 0.00 0.00 59.36 57.70 1j5c h GLU 84 Cb 1.38 0.07 0.02 0.00 0.50 0.00 0.00 28.75 30.72 1j5c h GLU 84 CO 1.11 0.04 3.04 -0.35 -1.00 0.00 0.00 179.01 181.86 1j5c n PRO 85 N -5.01 2.62 0.11 2.33 -0.04 -1.26 -3.73 135.00 130.03 1j5c n PRO 85 Ca -0.08 -1.87 0.00 0.00 -0.04 0.00 0.00 63.50 61.52 1j5c n PRO 85 Cb 0.26 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 31.01 1j5c n PRO 85 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1j5c n HIS 86 N 4.59 -1.66 -2.32 0.54 -0.00 -1.25 -4.51 115.22 110.61 1j5c n HIS 86 Ca 0.57 0.29 0.00 0.00 0.46 0.00 0.00 57.72 59.04 1j5c n HIS 86 Cb 0.22 0.38 0.00 0.00 -0.12 0.00 0.00 29.99 30.47 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 -3.48 -5.24 0.00 1.57 0.63 -1.24 -4.85 116.66 104.04 1j5c n ARG 87 Ca 0.00 3.77 0.00 0.00 -0.92 0.00 0.00 57.85 60.70 1j5c n ARG 87 Cb 0.00 -4.62 0.00 0.00 0.45 0.00 0.00 32.46 28.29 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 1.89 3.33 2.63 5.14 0.00 -1.26 -4.94 105.19 111.96 1j5c n GLY 88 Ca 0.00 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.46 -1.30 4.61 0.00 -1.26 -5.08 120.51 117.02 1j5c n ALA 89 Ca 0.00 -1.77 -0.31 0.00 0.00 0.00 0.00 53.44 51.36 1j5c n ALA 89 Cb 0.00 -1.24 -0.15 0.00 0.00 0.00 0.00 19.45 18.06 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 2.32 -0.43 3.29 0.00 0.00 -1.26 -4.64 105.19 104.47 1j5c n GLY 90 Ca 0.17 0.72 -0.57 0.00 0.00 0.00 0.00 46.02 46.34 1j5c n GLY 90 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1j5c n MET 91 N 6.64 0.00 0.00 1.61 2.81 -1.26 -4.75 117.12 122.17 1j5c n MET 91 Ca 0.58 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.47 1j5c n MET 91 Cb 0.05 -1.37 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 1j5c n MET 91 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 1j5c n VAL 92 N 2.38 0.00 0.00 2.03 3.14 -1.26 -3.66 118.33 120.96 1j5c n VAL 92 Ca 0.23 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.61 1j5c n VAL 92 Cb 0.02 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.80 1j5c n VAL 92 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1j5c n GLY 93 N 5.00 1.90 3.08 7.55 0.00 -1.26 -4.54 105.19 116.93 1j5c n GLY 93 Ca 0.00 -1.44 -0.11 0.00 0.00 0.00 0.00 46.02 44.47 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 -5.02 0.43 0.11 1.61 -2.85 -0.76 -2.71 119.74 110.54 1j5c s LYS 94 Ca 0.00 -0.34 0.04 0.00 -1.00 0.00 0.00 55.97 54.67 1j5c s LYS 94 Cb 0.00 0.18 -0.04 0.00 -2.06 0.00 0.00 37.83 35.91 1j5c s LYS 94 CO 0.00 -0.10 0.09 0.08 0.10 0.00 0.00 175.35 175.53 1j5c s VAL 95 N -1.20 4.51 -0.11 1.79 1.01 0.16 -3.68 120.40 122.89 1j5c s VAL 95 Ca -0.13 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.00 1j5c s VAL 95 Cb -0.07 -3.21 0.01 0.00 0.00 0.00 0.00 36.38 33.11 1j5c s VAL 95 CO 0.01 0.05 -0.17 -0.69 0.00 0.00 0.00 175.10 174.31 1j5c s VAL 96 N -1.50 1.59 -0.29 2.92 1.01 -0.98 0.05 120.40 123.21 1j5c s VAL 96 Ca 0.30 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 1j5c s VAL 96 Cb -0.12 -1.43 -0.00 0.00 0.00 0.00 0.00 36.38 34.83 1j5c s VAL 96 CO 0.22 0.46 0.08 -0.69 0.00 0.00 0.00 175.10 175.17 1j5c s VAL 97 N 0.86 4.09 -2.53 2.92 1.01 0.17 0.06 120.40 126.97 1j5c s VAL 97 Ca -0.09 -0.55 0.28 0.00 0.00 0.00 0.00 61.98 61.62 1j5c s VAL 97 Cb -0.15 -3.06 0.53 0.00 0.00 0.00 0.00 36.38 33.69 1j5c s VAL 97 CO 0.00 0.14 1.71 -0.67 0.00 0.00 0.00 175.10 176.28