#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 1.12 -0.33 0.00 2.20 -1.26 -4.75 114.94 111.92 1j5c s ASN 2 Ca 0.00 -1.57 -0.03 0.00 -0.94 0.00 0.00 52.86 50.33 1j5c s ASN 2 Cb 0.00 0.62 0.06 0.00 -2.00 0.00 0.00 41.25 39.93 1j5c s ASN 2 CO 0.00 -1.21 0.07 0.00 -2.94 0.00 0.00 177.10 173.02 1j5c s ALA 3 N -3.22 2.94 0.24 3.54 0.00 -0.96 -4.99 121.76 119.31 1j5c s ALA 3 Ca 0.34 -1.95 0.09 0.00 0.00 0.00 0.00 51.96 50.44 1j5c s ALA 3 Cb 0.01 -2.11 -0.04 0.00 0.00 0.00 0.00 23.12 20.97 1j5c s ALA 3 CO 0.22 -1.41 -0.01 -0.08 0.00 0.00 0.00 175.76 174.48 1j5c s THR 4 N 1.25 3.50 -0.05 0.00 -1.32 -1.26 -2.29 115.64 115.47 1j5c s THR 4 Ca -0.01 -1.77 -0.02 0.00 -1.21 0.00 0.00 61.69 58.68 1j5c s THR 4 Cb -0.20 -2.84 0.03 0.00 -1.51 0.00 0.00 72.50 67.98 1j5c s THR 4 CO -0.01 -0.29 0.11 -0.69 -2.21 0.00 0.00 174.62 171.53 1j5c s VAL 5 N -2.12 -0.04 -0.31 5.08 1.01 -0.91 -4.74 120.40 118.37 1j5c s VAL 5 Ca 0.30 0.15 -0.29 0.00 0.00 0.00 0.00 61.98 62.14 1j5c s VAL 5 Cb -0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 36.38 36.12 1j5c s VAL 5 CO 0.19 0.06 1.48 -1.59 0.00 0.00 0.00 175.10 175.24 1j5c s LYS 6 N 0.89 3.73 -1.06 2.72 -2.85 -1.21 -3.44 119.74 118.51 1j5c s LYS 6 Ca -0.07 1.32 -0.19 0.00 -1.00 0.00 0.00 55.97 56.02 1j5c s LYS 6 Cb -0.09 -4.00 -0.07 0.00 -2.06 0.00 0.00 37.83 31.60 1j5c s LYS 6 CO -0.04 -1.37 2.00 -0.12 0.10 0.00 0.00 175.35 175.92 1j5c n MET 7 N 7.74 2.04 0.00 1.78 1.56 -0.45 -4.08 117.12 125.70 1j5c n MET 7 Ca 0.17 -2.25 0.00 0.00 -0.27 0.00 0.00 57.70 55.35 1j5c n MET 7 Cb 0.47 -3.17 0.00 0.00 2.15 0.00 0.00 33.22 32.67 1j5c n MET 7 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1j5c n GLY 8 N 4.62 0.51 3.93 -5.12 0.00 0.48 -2.66 105.19 106.94 1j5c n GLY 8 Ca 0.50 -2.31 -0.26 0.00 0.00 0.00 0.00 46.02 43.95 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 -2.28 4.94 0.21 1.61 0.01 -0.50 -4.42 113.70 113.27 1j5c s SER 9 Ca 0.00 0.49 -0.01 0.00 1.31 0.00 0.00 55.95 57.74 1j5c s SER 9 Cb 0.00 -1.20 0.45 0.00 0.21 0.00 0.00 66.02 65.48 1j5c s SER 9 CO 0.00 -1.51 1.10 -0.67 0.41 0.00 0.00 173.24 172.57 1j5c n ASP 10 N -2.87 -0.15 0.00 2.44 2.03 -1.26 -4.24 116.55 112.50 1j5c n ASP 10 Ca 0.07 1.20 0.00 0.00 0.52 0.00 0.00 54.79 56.58 1j5c n ASP 10 Cb 0.60 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.59 1j5c n ASP 10 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1j5c n SER 11 N -5.03 0.00 0.00 1.67 7.64 -1.26 -4.70 113.62 111.94 1j5c n SER 11 Ca 0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.02 1j5c n SER 11 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1j5c n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j5c n GLY 12 N 0.00 0.28 3.86 0.23 0.00 -1.26 -5.07 105.19 103.22 1j5c n GLY 12 Ca 0.00 0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 2.54 -0.56 4.61 0.00 -1.26 -4.87 121.76 122.23 1j5c s ALA 13 Ca 0.00 -0.41 0.04 0.00 0.00 0.00 0.00 51.96 51.58 1j5c s ALA 13 Cb 0.00 -3.03 0.14 0.00 0.00 0.00 0.00 23.12 20.23 1j5c s ALA 13 CO 0.00 -1.56 0.31 -1.17 0.00 0.00 0.00 175.76 173.33 1j5c s LEU 14 N -5.60 4.44 0.15 0.00 0.20 -1.26 -1.40 118.68 115.20 1j5c s LEU 14 Ca 0.60 -3.14 0.08 0.00 0.69 0.00 0.00 54.13 52.36 1j5c s LEU 14 Cb -0.12 -1.65 -0.04 0.00 -0.43 0.00 0.00 46.19 43.95 1j5c s LEU 14 CO 0.52 -0.21 -0.18 0.68 -0.29 0.00 0.00 176.35 176.86 1j5c s VAL 15 N -0.47 1.71 -0.32 1.68 -7.23 -1.26 -4.77 120.40 109.75 1j5c s VAL 15 Ca 0.18 -1.82 0.01 0.00 -1.81 0.00 0.00 61.98 58.55 1j5c s VAL 15 Cb -0.22 -1.74 0.10 0.00 0.56 0.00 0.00 36.38 35.08 1j5c s VAL 15 CO -0.03 -0.29 0.06 0.72 -0.31 0.00 0.00 175.10 175.25 1j5c s PHE 16 N -1.92 2.69 0.01 2.82 -0.71 -1.26 -0.39 117.98 119.21 1j5c s PHE 16 Ca 0.13 -2.31 0.01 0.00 -1.04 0.00 0.00 56.93 53.72 1j5c s PHE 16 Cb -0.06 -2.25 -0.01 0.00 -1.21 0.00 0.00 43.02 39.49 1j5c s PHE 16 CO 0.06 -0.90 -0.03 -1.21 -1.34 0.00 0.00 175.22 171.80 1j5c s GLU 17 N 1.28 0.23 0.13 1.99 2.02 -1.26 -2.40 118.70 120.69 1j5c s GLU 17 Ca 0.09 -0.23 -0.30 0.00 0.02 0.00 0.00 54.97 54.55 1j5c s GLU 17 Cb -0.18 -0.13 -0.07 0.00 0.10 0.00 0.00 34.13 33.85 1j5c s GLU 17 CO -0.16 0.03 1.14 -1.25 0.02 0.00 0.00 175.26 175.04 1j5c s PRO 18 N -0.43 4.53 0.22 0.39 0.04 -1.26 -3.36 135.00 135.13 1j5c s PRO 18 Ca -0.03 1.74 -0.16 0.00 0.04 0.00 0.00 61.00 62.59 1j5c s PRO 18 Cb -0.03 -3.31 0.25 0.00 0.04 0.00 0.00 34.50 31.45 1j5c s PRO 18 CO -0.00 -0.06 1.58 1.03 0.04 0.00 0.00 177.00 179.59 1j5c h SER 19 N 5.76 -1.04 -4.08 6.66 0.87 -1.86 -3.39 113.55 116.47 1j5c h SER 19 Ca -0.43 0.25 -0.69 0.00 -1.23 0.00 0.00 61.79 59.69 1j5c h SER 19 Cb 1.21 0.58 -0.24 0.00 -0.44 0.00 0.00 62.40 63.52 1j5c h SER 19 CO 0.76 -0.29 -0.79 -0.89 -0.53 0.00 0.00 176.83 175.09 1j5c s THR 20 N -6.10 2.89 0.24 2.23 2.01 -1.26 -2.34 115.64 113.31 1j5c s THR 20 Ca -0.14 -0.88 0.02 0.00 0.31 0.00 0.00 61.69 60.99 1j5c s THR 20 Cb 0.20 -2.14 -0.05 0.00 0.01 0.00 0.00 72.50 70.52 1j5c s THR 20 CO 0.73 0.52 0.06 0.68 -0.69 0.00 0.00 174.62 175.91 1j5c s VAL 21 N -0.77 0.74 -0.11 3.82 -7.23 -1.23 -5.04 120.40 110.57 1j5c s VAL 21 Ca 0.12 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.33 1j5c s VAL 21 Cb -0.11 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.34 1j5c s VAL 21 CO 0.02 -0.15 -0.23 0.42 -0.31 0.00 0.00 175.10 174.84 1j5c s THR 22 N -3.63 2.07 0.15 5.32 -4.23 -1.26 -2.30 115.64 111.76 1j5c s THR 22 Ca 0.33 -1.01 0.08 0.00 -1.18 0.00 0.00 61.69 59.91 1j5c s THR 22 Cb 0.07 -1.79 -0.04 0.00 1.34 0.00 0.00 72.50 72.08 1j5c s THR 22 CO 0.11 0.56 -0.17 -0.51 -0.54 0.00 0.00 174.62 174.07 1j5c s ILE 23 N 0.44 1.66 0.59 2.99 2.07 0.60 -4.70 121.20 124.84 1j5c s ILE 23 Ca -0.16 -1.84 -0.06 0.00 -1.41 0.00 0.00 60.65 57.17 1j5c s ILE 23 Cb -0.17 -1.74 0.01 0.00 0.13 0.00 0.00 42.46 40.69 1j5c s ILE 23 CO 0.07 -0.34 0.89 -0.54 -1.91 0.00 0.00 174.94 173.11 1j5c s LYS 24 N -2.74 2.91 -1.39 3.50 -0.14 -1.26 0.11 119.74 120.73 1j5c s LYS 24 Ca 0.13 -0.03 -0.15 0.00 -1.36 0.00 0.00 55.97 54.57 1j5c s LYS 24 Cb -0.06 -2.28 0.06 0.00 -1.68 0.00 0.00 37.83 33.87 1j5c s LYS 24 CO 0.05 -0.69 2.03 0.00 -0.76 0.00 0.00 175.35 175.99 1j5c n ALA 25 N -2.57 4.82 0.00 5.17 0.00 -0.93 -2.80 120.51 124.20 1j5c n ALA 25 Ca 0.04 -3.89 0.00 0.00 0.00 0.00 0.00 53.44 49.59 1j5c n ALA 25 Cb 0.58 -3.54 0.00 0.00 0.00 0.00 0.00 19.45 16.49 1j5c n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j5c n GLY 26 N 4.51 0.43 3.75 0.00 0.00 0.14 -4.79 105.19 109.24 1j5c n GLY 26 Ca 0.50 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.22 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 -4.50 1.61 1.02 -1.12 -4.56 120.64 110.84 1j5c n GLU 27 Ca 0.00 -1.94 -0.25 0.00 -0.02 0.00 0.00 57.16 54.95 1j5c n GLU 27 Cb 0.00 -1.53 -0.08 0.00 -0.02 0.00 0.00 31.44 29.81 1j5c n GLU 27 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1j5c s GLU 28 N -5.75 1.94 0.01 3.49 1.03 -1.26 -0.97 118.70 117.20 1j5c s GLU 28 Ca 0.75 -2.18 0.06 0.00 0.03 0.00 0.00 54.97 53.62 1j5c s GLU 28 Cb -0.05 -0.54 -0.02 0.00 -0.80 0.00 0.00 34.13 32.73 1j5c s GLU 28 CO 0.55 -0.51 -0.19 0.08 -1.33 0.00 0.00 175.26 173.86 1j5c s VAL 29 N -3.21 1.49 -0.24 1.83 1.01 0.22 -2.26 120.40 119.23 1j5c s VAL 29 Ca 0.24 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 1j5c s VAL 29 Cb 0.02 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 35.15 1j5c s VAL 29 CO 0.15 0.32 -0.04 -0.75 0.00 0.00 0.00 175.10 174.79 1j5c s LYS 30 N -0.70 3.08 -0.51 2.72 2.20 -0.97 -1.68 119.74 123.87 1j5c s LYS 30 Ca 0.07 -0.83 -0.12 0.00 -0.36 0.00 0.00 55.97 54.74 1j5c s LYS 30 Cb -0.08 -3.04 0.13 0.00 -1.51 0.00 0.00 37.83 33.33 1j5c s LYS 30 CO 0.00 -0.33 0.42 -1.58 -0.36 0.00 0.00 175.35 173.50 1j5c s TRP 31 N 1.41 3.38 -0.02 4.03 0.51 -1.06 -2.15 118.94 125.03 1j5c s TRP 31 Ca 0.03 -1.69 -0.21 0.00 -2.12 0.00 0.00 56.10 52.11 1j5c s TRP 31 Cb -0.16 -3.61 -0.05 0.00 -0.81 0.00 0.00 33.47 28.84 1j5c s TRP 31 CO -0.03 -1.00 0.60 0.08 -0.51 0.00 0.00 176.95 176.08 1j5c s VAL 32 N 1.36 4.96 -0.66 4.03 1.01 -1.22 -2.55 120.40 127.33 1j5c s VAL 32 Ca 0.06 1.24 -0.27 0.00 0.00 0.00 0.00 61.98 63.00 1j5c s VAL 32 Cb -0.27 -3.93 0.01 0.00 0.00 0.00 0.00 36.38 32.19 1j5c s VAL 32 CO 0.00 0.39 1.52 0.21 0.00 0.00 0.00 175.10 177.22 1j5c s ASN 33 N 0.03 5.82 0.03 3.32 2.47 -1.26 -1.34 114.94 124.00 1j5c s ASN 33 Ca 0.31 -0.02 -0.25 0.00 0.42 0.00 0.00 52.86 53.33 1j5c s ASN 33 Cb -0.18 -2.55 -0.14 0.00 -1.45 0.00 0.00 41.25 36.94 1j5c s ASN 33 CO 0.17 -2.02 1.25 -1.13 -3.72 0.00 0.00 177.10 171.65 1j5c h ASN 34 N 12.08 -0.75 -0.85 -4.21 -0.00 -1.82 -3.39 115.58 116.65 1j5c h ASN 34 Ca -0.27 0.03 0.09 0.00 -0.00 0.00 0.00 56.30 56.15 1j5c h ASN 34 Cb 1.10 0.19 -0.02 0.00 -0.00 0.00 0.00 38.32 39.60 1j5c h ASN 34 CO 1.24 -0.49 0.25 1.17 -0.00 0.00 0.00 177.43 179.59 1j5c n LYS 35 N -4.61 0.09 -2.58 6.67 0.00 -1.23 -4.75 118.16 111.75 1j5c n LYS 35 Ca -0.11 -0.28 -0.00 0.00 0.00 0.00 0.00 58.31 57.92 1j5c n LYS 35 Cb 0.35 0.43 0.00 0.00 0.00 0.00 0.00 35.03 35.81 1j5c n LYS 35 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1j5c n LEU 36 N 0.00 -5.30 -4.89 3.14 4.77 -1.26 -4.77 117.00 108.69 1j5c n LEU 36 Ca 0.01 -0.05 -0.29 0.00 -0.03 0.00 0.00 56.01 55.64 1j5c n LEU 36 Cb 0.17 -2.60 -0.03 0.00 -2.33 0.00 0.00 43.42 38.64 1j5c n LEU 36 CO 0.05 -0.77 0.38 -0.94 -1.33 0.00 0.00 177.39 174.79 1j5c s SER 37 N -2.70 6.47 0.87 -1.43 1.04 -1.26 -4.40 113.70 112.29 1j5c s SER 37 Ca 0.00 1.00 0.00 0.00 0.48 0.00 0.00 55.95 57.44 1j5c s SER 37 Cb -0.00 -2.27 0.00 0.00 0.10 0.00 0.00 66.02 63.85 1j5c s SER 37 CO 0.52 -0.37 0.00 -0.81 0.98 0.00 0.00 173.24 173.56 1j5c n PRO 38 N -1.32 -0.31 -3.65 4.02 -0.04 -1.26 -5.08 135.00 127.37 1j5c n PRO 38 Ca 0.01 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.40 1j5c n PRO 38 Cb 0.54 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.93 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 -0.87 -1.01 0.27 0.54 3.76 0.36 -4.89 115.29 113.44 1j5c s HIS 39 Ca 0.00 2.03 0.07 0.00 -0.15 0.00 0.00 55.06 57.01 1j5c s HIS 39 Cb 0.00 0.59 -0.06 0.00 1.11 0.00 0.00 32.58 34.22 1j5c s HIS 39 CO 0.00 -0.51 -0.08 -0.80 -0.85 0.00 0.00 174.74 172.51 1j5c s ASN 40 N 1.60 2.74 -0.43 1.40 -0.87 -1.26 0.13 114.94 118.24 1j5c s ASN 40 Ca -0.10 -1.16 0.07 0.00 -1.57 0.00 0.00 52.86 50.11 1j5c s ASN 40 Cb -0.05 -0.16 0.25 0.00 -0.02 0.00 0.00 41.25 41.26 1j5c s ASN 40 CO -0.19 -0.30 0.69 -0.38 -2.57 0.00 0.00 177.10 174.35 1j5c n ILE 41 N -0.55 -0.39 -2.73 0.60 5.41 -1.04 -3.98 119.36 116.68 1j5c n ILE 41 Ca -0.06 -2.95 -0.41 0.00 1.00 0.00 0.00 62.75 60.33 1j5c n ILE 41 Cb 0.63 -0.44 -0.04 0.00 -0.71 0.00 0.00 39.64 39.07 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 -0.42 4.50 -0.04 1.39 1.01 -0.86 -0.85 120.40 125.14 1j5c s VAL 42 Ca 0.34 2.07 -0.01 0.00 0.00 0.00 0.00 61.98 64.38 1j5c s VAL 42 Cb 0.20 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1j5c s VAL 42 CO -0.17 0.32 0.02 -0.36 0.00 0.00 0.00 175.10 174.92 1j5c s PHE 43 N -0.02 3.17 0.19 5.22 0.40 -1.26 -1.34 117.98 124.34 1j5c s PHE 43 Ca 0.47 0.17 0.05 0.00 -0.60 0.00 0.00 56.93 57.01 1j5c s PHE 43 Cb -0.23 -1.74 -0.04 0.00 0.51 0.00 0.00 43.02 41.52 1j5c s PHE 43 CO 0.30 0.49 0.21 0.00 0.70 0.00 0.00 175.22 176.92 1j5c s ALA 44 N -1.02 3.70 -1.15 5.36 0.00 -0.84 -4.75 121.76 123.05 1j5c s ALA 44 Ca 0.17 -1.23 -0.10 0.00 0.00 0.00 0.00 51.96 50.80 1j5c s ALA 44 Cb -0.12 -1.48 0.24 0.00 0.00 0.00 0.00 23.12 21.77 1j5c s ALA 44 CO 0.07 0.42 1.27 0.00 0.00 0.00 0.00 175.76 177.52 1j5c n ALA 45 N -0.71 4.19 -3.23 0.00 0.00 -1.26 -4.59 120.51 114.92 1j5c n ALA 45 Ca -0.08 -4.52 -0.44 0.00 0.00 0.00 0.00 53.44 48.39 1j5c n ALA 45 Cb 0.56 -2.67 0.00 0.00 0.00 0.00 0.00 19.45 17.34 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 3.64 5.83 0.00 0.00 8.00 -1.26 -4.38 116.55 128.38 1j5c n ASP 46 Ca 0.29 -3.17 0.00 0.00 0.71 0.00 0.00 54.79 52.62 1j5c n ASP 46 Cb 0.40 -1.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.15 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 2.22 3.08 3.95 0.44 0.00 -1.26 -5.01 105.19 108.61 1j5c n GLY 47 Ca 0.25 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.73 5.23 0.69 1.61 1.01 -1.26 -5.07 120.40 119.88 1j5c s VAL 48 Ca 0.00 -0.65 -0.17 0.00 0.00 0.00 0.00 61.98 61.17 1j5c s VAL 48 Cb 0.00 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.59 1j5c s VAL 48 CO 0.00 -0.28 1.22 0.47 0.00 0.00 0.00 175.10 176.51 1j5c n ASP 49 N -1.09 1.61 0.08 3.32 8.00 -1.26 -4.70 116.55 122.52 1j5c n ASP 49 Ca -0.07 0.76 -0.12 0.00 0.71 0.00 0.00 54.79 56.07 1j5c n ASP 49 Cb 0.55 -1.52 -0.08 0.00 -0.02 0.00 0.00 41.12 40.05 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 0.13 -0.23 -0.42 2.24 0.00 -1.97 -1.94 119.26 117.07 1j5c h ALA 50 Ca -0.49 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.26 1j5c h ALA 50 Cb 1.33 0.09 -0.09 0.00 0.00 0.00 0.00 17.79 19.12 1j5c h ALA 50 CO 0.51 -0.39 -0.50 -0.44 0.00 0.00 0.00 179.25 178.42 1j5c h ASP 51 N -0.70 -1.67 -0.88 0.00 3.32 -1.98 0.87 116.42 115.39 1j5c h ASP 51 Ca -0.02 0.23 0.15 0.00 0.02 0.00 0.00 57.03 57.41 1j5c h ASP 51 Cb 0.50 0.70 -0.10 0.00 0.22 0.00 0.00 39.33 40.65 1j5c h ASP 51 CO 0.04 -0.39 0.47 0.74 -1.72 0.00 0.00 179.24 178.38 1j5c h THR 52 N -0.36 0.73 -0.04 0.35 2.02 -1.95 0.58 112.91 114.24 1j5c h THR 52 Ca 0.11 -0.23 -0.06 0.00 0.77 0.00 0.00 66.41 67.00 1j5c h THR 52 Cb 0.59 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1j5c h THR 52 CO -0.59 0.12 -0.26 0.00 0.37 0.00 0.00 175.52 175.15 1j5c h ALA 53 N 1.57 1.49 0.00 6.16 0.00 0.33 0.10 119.26 128.92 1j5c h ALA 53 Ca 0.48 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1j5c h ALA 53 Cb 0.69 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1j5c h ALA 53 CO -0.36 0.38 -0.18 0.00 0.00 0.00 0.00 179.25 179.08 1j5c h ALA 54 N 1.67 1.06 0.00 0.00 0.00 0.60 1.50 119.26 124.09 1j5c h ALA 54 Ca 0.01 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1j5c h ALA 54 Cb 0.50 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1j5c h ALA 54 CO 0.04 0.23 -1.33 1.17 0.00 0.00 0.00 179.25 179.35 1j5c n LYS 55 N -3.39 0.62 -0.09 0.00 4.81 -0.33 -3.80 118.16 115.98 1j5c n LYS 55 Ca -0.00 0.12 0.09 0.00 -0.87 0.00 0.00 58.31 57.65 1j5c n LYS 55 Cb 0.38 -1.77 0.13 0.00 0.02 0.00 0.00 35.03 33.79 1j5c n LYS 55 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1j5c n LEU 56 N -2.71 2.80 -4.52 3.14 4.77 0.21 -4.78 117.00 115.90 1j5c n LEU 56 Ca -0.06 -1.30 -0.42 0.00 -0.03 0.00 0.00 56.01 54.21 1j5c n LEU 56 Cb 0.69 -0.11 -0.09 0.00 -2.33 0.00 0.00 43.42 41.58 1j5c n LEU 56 CO 0.42 0.57 0.08 -0.55 -1.33 0.00 0.00 177.39 176.58 1j5c s SER 57 N -1.35 6.20 -0.56 -1.43 0.15 0.51 -4.46 113.70 112.75 1j5c s SER 57 Ca 0.26 -0.38 -0.21 0.00 0.70 0.00 0.00 55.95 56.32 1j5c s SER 57 Cb 0.16 -2.21 0.06 0.00 -1.71 0.00 0.00 66.02 62.32 1j5c s SER 57 CO 0.23 -0.44 0.81 -1.00 1.20 0.00 0.00 173.24 174.04 1j5c s HIS 58 N 2.09 2.88 0.60 3.44 3.76 -0.03 -4.80 115.29 123.24 1j5c s HIS 58 Ca 0.12 -0.43 0.28 0.00 -0.15 0.00 0.00 55.06 54.89 1j5c s HIS 58 Cb -0.17 -3.92 1.24 0.00 1.11 0.00 0.00 32.58 30.84 1j5c s HIS 58 CO 0.12 -1.30 1.63 0.87 -0.85 0.00 0.00 174.74 175.22 1j5c h LYS 59 N 9.24 0.00 0.00 1.40 6.56 -1.96 -2.20 116.57 129.61 1j5c h LYS 59 Ca -0.28 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.31 1j5c h LYS 59 Cb 1.08 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.74 1j5c h LYS 59 CO 1.07 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 178.87 1j5c n GLY 60 N -1.59 0.07 0.98 3.86 0.00 -1.26 -4.62 105.19 102.63 1j5c n GLY 60 Ca 0.15 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1j5c n GLY 60 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1j5c n LEU 61 N 0.00 -1.21 -4.46 0.99 0.00 -0.97 -4.92 117.00 106.43 1j5c n LEU 61 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 56.01 55.58 1j5c n LEU 61 Cb 0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 43.42 43.05 1j5c n LEU 61 CO 0.00 0.00 0.54 0.00 0.00 0.00 0.00 177.39 177.93 1j5c s ALA 62 N -2.58 3.28 -0.10 1.96 0.00 0.12 -4.86 121.76 119.58 1j5c s ALA 62 Ca 0.00 -1.68 -0.08 0.00 0.00 0.00 0.00 51.96 50.20 1j5c s ALA 62 Cb 0.00 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 1j5c s ALA 62 CO 0.00 -2.30 -0.16 1.19 0.00 0.00 0.00 175.76 174.50 1j5c n PHE 63 N 6.83 0.35 -2.55 0.00 3.01 -1.26 -0.49 117.46 123.36 1j5c n PHE 63 Ca -0.04 0.15 -0.40 0.00 1.01 0.00 0.00 57.45 58.17 1j5c n PHE 63 Cb 0.46 -0.47 -0.05 0.00 -0.01 0.00 0.00 39.48 39.40 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 -2.88 3.37 -0.25 4.37 0.00 -1.26 -4.61 121.76 120.50 1j5c s ALA 64 Ca -0.13 0.82 -0.05 0.00 0.00 0.00 0.00 51.96 52.60 1j5c s ALA 64 Cb 0.02 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.76 1j5c s ALA 64 CO 0.19 -0.07 3.16 0.00 0.00 0.00 0.00 175.76 179.04 1j5c n ALA 65 N 1.19 6.43 0.00 0.00 0.00 -1.26 -3.60 120.51 123.27 1j5c n ALA 65 Ca -0.01 -2.51 0.00 0.00 0.00 0.00 0.00 53.44 50.92 1j5c n ALA 65 Cb 0.46 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.68 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 1.61 0.00 3.61 0.00 0.00 -1.26 -4.78 105.19 104.37 1j5c n GLY 66 Ca 0.46 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.23 3.70 0.01 1.61 2.02 -1.24 -4.87 118.70 118.70 1j5c s GLU 67 Ca 0.00 1.14 0.02 0.00 0.02 0.00 0.00 54.97 56.15 1j5c s GLU 67 Cb 0.00 -3.99 -0.04 0.00 0.10 0.00 0.00 34.13 30.21 1j5c s GLU 67 CO 0.00 -1.40 -0.02 -1.54 0.02 0.00 0.00 175.26 172.32 1j5c s SER 68 N 3.70 4.99 0.59 -0.19 1.04 -1.26 -4.33 113.70 118.23 1j5c s SER 68 Ca 0.62 -0.07 0.03 0.00 0.48 0.00 0.00 55.95 57.01 1j5c s SER 68 Cb -0.16 -1.26 0.07 0.00 0.10 0.00 0.00 66.02 64.77 1j5c s SER 68 CO 0.29 0.27 0.82 -0.36 0.98 0.00 0.00 173.24 175.24 1j5c s PHE 69 N -1.10 2.21 -0.03 5.02 0.08 -1.06 -4.92 117.98 118.18 1j5c s PHE 69 Ca 0.20 -0.27 -0.07 0.00 0.12 0.00 0.00 56.93 56.91 1j5c s PHE 69 Cb -0.11 -2.69 0.01 0.00 -0.57 0.00 0.00 43.02 39.66 1j5c s PHE 69 CO 0.11 -1.12 0.17 0.99 -0.10 0.00 0.00 175.22 175.27 1j5c s THR 70 N -2.81 0.04 -0.09 0.64 2.01 -1.26 -2.56 115.64 111.61 1j5c s THR 70 Ca 0.61 -0.34 -0.04 0.00 0.31 0.00 0.00 61.69 62.22 1j5c s THR 70 Cb -0.08 -0.36 0.04 0.00 0.01 0.00 0.00 72.50 72.11 1j5c s THR 70 CO 0.40 -0.19 0.21 -0.94 -0.69 0.00 0.00 174.62 173.40 1j5c s SER 71 N -0.66 -0.16 -0.14 3.53 1.04 -0.68 -4.93 113.70 111.70 1j5c s SER 71 Ca -0.07 0.43 -0.07 0.00 0.48 0.00 0.00 55.95 56.72 1j5c s SER 71 Cb -0.04 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 1j5c s SER 71 CO 0.01 -0.16 0.11 -0.89 0.98 0.00 0.00 173.24 173.29 1j5c s THR 72 N 1.29 5.28 -0.36 2.02 2.01 -1.26 0.70 115.64 125.31 1j5c s THR 72 Ca -0.09 0.13 0.03 0.00 0.31 0.00 0.00 61.69 62.07 1j5c s THR 72 Cb -0.11 -3.32 0.10 0.00 0.01 0.00 0.00 72.50 69.19 1j5c s THR 72 CO -0.07 0.57 0.08 -0.36 -0.69 0.00 0.00 174.62 174.14 1j5c s PHE 73 N -0.62 3.72 -0.34 4.92 0.08 -0.14 -4.89 117.98 120.72 1j5c s PHE 73 Ca 0.12 -2.96 0.22 0.00 0.12 0.00 0.00 56.93 54.43 1j5c s PHE 73 Cb -0.12 -2.95 0.19 0.00 -0.57 0.00 0.00 43.02 39.57 1j5c s PHE 73 CO 0.02 -0.94 1.37 1.15 -0.10 0.00 0.00 175.22 176.72 1j5c h THR 74 N 6.53 0.06 -3.33 0.64 2.02 -1.86 0.43 112.91 117.39 1j5c h THR 74 Ca -0.05 -1.09 -0.65 0.00 0.77 0.00 0.00 66.41 65.39 1j5c h THR 74 Cb 1.02 1.84 -0.18 0.00 -1.74 0.00 0.00 68.15 69.08 1j5c h THR 74 CO 0.55 0.03 -0.64 -0.70 0.37 0.00 0.00 175.52 175.13 1j5c s GLU 75 N -3.25 3.41 0.12 6.66 2.12 -1.26 -4.53 118.70 121.97 1j5c s GLU 75 Ca 0.04 -0.45 -0.30 0.00 0.36 0.00 0.00 54.97 54.61 1j5c s GLU 75 Cb 0.07 -2.90 -0.06 0.00 0.26 0.00 0.00 34.13 31.50 1j5c s GLU 75 CO 0.72 0.44 1.14 -1.25 -0.54 0.00 0.00 175.26 175.77 1j5c s PRO 76 N -0.16 4.51 0.00 4.30 0.04 -1.26 -4.80 135.00 137.63 1j5c s PRO 76 Ca 0.04 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.81 1j5c s PRO 76 Cb -0.13 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1j5c s PRO 76 CO 0.02 -0.09 0.00 0.41 0.04 0.00 0.00 177.00 177.38 1j5c n GLY 77 N 2.61 2.86 3.68 0.56 0.00 0.62 -4.94 105.19 110.58 1j5c n GLY 77 Ca 0.06 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.00 5.05 0.23 2.61 2.01 -1.26 -1.10 115.64 121.18 1j5c s THR 78 Ca 0.00 1.18 0.08 0.00 0.31 0.00 0.00 61.69 63.26 1j5c s THR 78 Cb 0.00 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 1j5c s THR 78 CO 0.00 0.17 0.08 -0.31 -0.69 0.00 0.00 174.62 173.87 1j5c s TYR 79 N 1.53 2.93 0.03 4.92 1.51 0.03 -4.93 117.35 123.37 1j5c s TYR 79 Ca 0.29 -0.14 0.02 0.00 -1.01 0.00 0.00 57.07 56.23 1j5c s TYR 79 Cb -0.16 -1.34 -0.02 0.00 -0.11 0.00 0.00 41.96 40.33 1j5c s TYR 79 CO 0.11 0.55 -0.06 0.99 -1.11 0.00 0.00 175.55 176.04 1j5c s THR 80 N -2.07 0.41 0.03 -0.71 2.01 -1.26 -0.20 115.64 113.85 1j5c s THR 80 Ca 0.31 -0.87 -0.17 0.00 0.31 0.00 0.00 61.69 61.27 1j5c s THR 80 Cb -0.08 -0.48 0.03 0.00 0.01 0.00 0.00 72.50 71.98 1j5c s THR 80 CO 0.22 -0.31 0.37 -0.72 -0.69 0.00 0.00 174.62 173.49 1j5c s TYR 81 N -1.15 -0.22 0.00 4.92 -0.85 -1.24 -2.00 117.35 116.81 1j5c s TYR 81 Ca -0.09 0.20 0.00 0.00 -0.52 0.00 0.00 57.07 56.66 1j5c s TYR 81 Cb -0.08 0.17 0.00 0.00 0.38 0.00 0.00 41.96 42.42 1j5c s TYR 81 CO 0.00 -0.52 0.00 0.66 -1.52 0.00 0.00 175.55 174.17 1j5c n TYR 82 N 0.70 0.00 -2.46 -3.49 4.01 -0.45 -4.47 117.16 111.00 1j5c n TYR 82 Ca -0.19 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.52 1j5c n TYR 82 Cb 0.59 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.68 1j5c n TYR 82 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1j5c n GLU 84 N -0.96 -2.36 -1.05 0.00 1.02 -1.26 -3.86 120.64 112.17 1j5c n GLU 84 Ca -0.17 1.80 -0.31 0.00 -0.02 0.00 0.00 57.16 58.46 1j5c n GLU 84 Cb 0.76 -2.94 -0.02 0.00 -0.02 0.00 0.00 31.44 29.22 1j5c n GLU 84 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1j5c n PRO 85 N -3.78 2.66 -2.70 3.49 -0.04 -1.26 -4.74 135.00 128.63 1j5c n PRO 85 Ca -0.04 -1.84 -0.43 0.00 -0.04 0.00 0.00 63.50 61.15 1j5c n PRO 85 Cb 0.61 -2.68 -0.01 0.00 -0.04 0.00 0.00 33.50 31.38 1j5c n PRO 85 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1j5c s HIS 86 N 3.10 2.94 -0.82 0.54 -3.43 -1.25 -4.26 115.29 112.12 1j5c s HIS 86 Ca 0.52 -1.58 -0.03 0.00 -0.80 0.00 0.00 55.06 53.17 1j5c s HIS 86 Cb 0.14 -4.59 -0.04 0.00 -1.43 0.00 0.00 32.58 26.65 1j5c s HIS 86 CO -0.03 -1.70 0.73 0.54 -2.00 0.00 0.00 174.74 172.28 1j5c n ARG 87 N 7.64 -1.66 0.00 -0.38 1.74 -1.26 -4.02 116.66 118.71 1j5c n ARG 87 Ca 0.41 0.99 0.00 0.00 -0.77 0.00 0.00 57.85 58.47 1j5c n ARG 87 Cb 0.46 -5.27 0.00 0.00 -1.02 0.00 0.00 32.46 26.64 1j5c n ARG 87 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j5c n GLY 88 N -1.41 1.93 0.00 -0.13 0.00 -1.26 -4.71 105.19 99.61 1j5c n GLY 88 Ca -0.04 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 0.41 0.00 -4.13 4.61 0.00 -1.26 -4.72 120.51 115.42 1j5c n ALA 89 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1j5c n ALA 89 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.26 3.64 0.00 0.00 -1.26 -4.85 105.19 102.47 1j5c n GLY 90 Ca 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 46.02 46.08 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 -6.59 0.36 0.00 1.61 0.00 -1.26 -4.62 119.30 108.80 1j5c s MET 91 Ca 0.46 0.55 0.00 0.00 0.00 0.00 0.00 55.69 56.70 1j5c s MET 91 Cb -0.27 0.11 0.00 0.00 0.00 0.00 0.00 34.83 34.67 1j5c s MET 91 CO 0.89 -0.06 0.00 1.55 0.00 0.00 0.00 175.02 177.39 1j5c n VAL 92 N 3.14 0.00 -1.15 10.11 3.14 -1.26 -4.60 118.33 127.71 1j5c n VAL 92 Ca -0.16 0.00 0.03 0.00 -2.96 0.00 0.00 64.34 61.24 1j5c n VAL 92 Cb 0.57 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.33 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 -0.16 -3.63 3.07 7.55 0.00 -1.26 -4.46 105.19 106.30 1j5c n GLY 93 Ca 0.00 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 44.89 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 -4.83 0.30 0.43 1.61 -2.85 -0.99 -3.69 119.74 109.72 1j5c s LYS 94 Ca 0.00 0.02 0.02 0.00 -1.00 0.00 0.00 55.97 55.00 1j5c s LYS 94 Cb 0.00 0.13 -0.00 0.00 -2.06 0.00 0.00 37.83 35.90 1j5c s LYS 94 CO 0.00 -0.06 0.63 0.08 0.10 0.00 0.00 175.35 176.11 1j5c s VAL 95 N -0.42 4.01 -0.22 1.79 1.01 0.72 -3.58 120.40 123.72 1j5c s VAL 95 Ca -0.05 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.29 1j5c s VAL 95 Cb -0.03 -3.47 0.09 0.00 0.00 0.00 0.00 36.38 32.97 1j5c s VAL 95 CO 0.01 -0.30 0.17 -0.69 0.00 0.00 0.00 175.10 174.29 1j5c s VAL 96 N -2.48 -0.21 -0.30 2.92 1.01 -0.97 -0.79 120.40 119.58 1j5c s VAL 96 Ca 0.48 -0.29 -0.18 0.00 0.00 0.00 0.00 61.98 61.99 1j5c s VAL 96 Cb -0.10 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 1j5c s VAL 96 CO 0.36 -0.36 0.51 -0.69 0.00 0.00 0.00 175.10 174.93 1j5c s VAL 97 N 2.22 5.05 0.00 2.92 1.01 -0.26 -0.29 120.40 131.05 1j5c s VAL 97 Ca 0.06 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.69 1j5c s VAL 97 Cb -0.16 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.34 1j5c s VAL 97 CO -0.18 -0.04 0.00 0.47 0.00 0.00 0.00 175.10 175.36