#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 1.01 -0.22 0.00 2.20 -1.26 -4.69 114.94 111.98 1j5c s ASN 2 Ca 0.00 -1.49 -0.03 0.00 -0.94 0.00 0.00 52.86 50.40 1j5c s ASN 2 Cb 0.00 0.36 -0.00 0.00 -2.00 0.00 0.00 41.25 39.61 1j5c s ASN 2 CO 0.00 -0.86 -0.05 0.00 -2.94 0.00 0.00 177.10 173.25 1j5c s ALA 3 N -3.81 2.78 0.11 3.54 0.00 -1.10 -4.98 121.76 118.31 1j5c s ALA 3 Ca 0.38 -1.19 0.08 0.00 0.00 0.00 0.00 51.96 51.23 1j5c s ALA 3 Cb 0.06 -1.68 -0.04 0.00 0.00 0.00 0.00 23.12 21.46 1j5c s ALA 3 CO 0.16 -0.46 -0.15 -0.08 0.00 0.00 0.00 175.76 175.23 1j5c s THR 4 N 1.46 3.01 0.07 0.00 -1.32 -1.26 -2.01 115.64 115.60 1j5c s THR 4 Ca 0.05 -1.43 0.04 0.00 -1.21 0.00 0.00 61.69 59.14 1j5c s THR 4 Cb -0.14 -2.39 -0.03 0.00 -1.51 0.00 0.00 72.50 68.42 1j5c s THR 4 CO -0.04 0.10 -0.11 -0.69 -2.21 0.00 0.00 174.62 171.67 1j5c s VAL 5 N -1.17 0.90 -0.67 5.08 1.01 -0.87 -4.74 120.40 119.93 1j5c s VAL 5 Ca 0.19 -1.39 -0.17 0.00 0.00 0.00 0.00 61.98 60.62 1j5c s VAL 5 Cb -0.11 -1.07 0.14 0.00 0.00 0.00 0.00 36.38 35.34 1j5c s VAL 5 CO 0.11 -0.40 0.71 -1.59 0.00 0.00 0.00 175.10 173.93 1j5c s LYS 6 N -2.13 3.22 0.20 2.72 -2.85 -1.20 -3.03 119.74 116.67 1j5c s LYS 6 Ca -0.01 -1.74 -0.05 0.00 -1.00 0.00 0.00 55.97 53.17 1j5c s LYS 6 Cb -0.07 -4.38 0.35 0.00 -2.06 0.00 0.00 37.83 31.67 1j5c s LYS 6 CO 0.01 -1.45 1.13 -1.33 0.10 0.00 0.00 175.35 173.81 1j5c n MET 7 N 5.51 -0.06 -4.44 1.78 2.81 -1.02 -4.19 117.12 117.51 1j5c n MET 7 Ca -0.02 1.13 -0.28 0.00 -1.81 0.00 0.00 57.70 56.72 1j5c n MET 7 Cb 0.43 -1.69 -0.08 0.00 -0.71 0.00 0.00 33.22 31.18 1j5c n MET 7 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1j5c s GLY 8 N -4.19 2.58 -0.01 3.03 0.00 -1.26 -2.73 107.32 104.75 1j5c s GLY 8 Ca -0.11 -1.63 -0.12 0.00 0.00 0.00 0.00 44.72 42.86 1j5c s GLY 8 CO 0.56 -2.06 0.35 -0.56 0.00 0.00 0.00 173.10 171.40 1j5c s SER 9 N -3.87 6.69 0.26 1.64 0.01 -0.80 -4.72 113.70 112.90 1j5c s SER 9 Ca 0.29 0.82 -0.03 0.00 1.31 0.00 0.00 55.95 58.34 1j5c s SER 9 Cb 0.05 -2.20 0.55 0.00 0.21 0.00 0.00 66.02 64.63 1j5c s SER 9 CO 0.16 0.32 1.65 0.44 0.41 0.00 0.00 173.24 176.21 1j5c h ASP 10 N 4.58 -0.14 0.00 2.44 3.32 -1.95 -2.05 116.42 122.63 1j5c h ASP 10 Ca -0.52 0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1j5c h ASP 10 Cb 1.22 0.28 0.00 0.00 0.22 0.00 0.00 39.33 41.05 1j5c h ASP 10 CO 0.62 -0.14 0.00 -0.24 -1.72 0.00 0.00 179.24 177.76 1j5c n SER 11 N -5.26 0.00 0.00 6.45 2.88 -1.26 -4.87 113.62 111.56 1j5c n SER 11 Ca 0.17 0.99 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 1j5c n SER 11 Cb 0.55 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 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 -0.99 -1.57 1.98 0.46 0.00 -0.77 -5.18 105.19 99.11 1j5c n GLY 12 Ca 0.00 0.57 -0.15 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 0.34 -3.19 4.61 0.00 -1.21 -4.93 120.51 116.13 1j5c n ALA 13 Ca 0.00 -1.22 -0.22 0.00 0.00 0.00 0.00 53.44 52.00 1j5c n ALA 13 Cb 0.00 0.83 -0.05 0.00 0.00 0.00 0.00 19.45 20.23 1j5c n ALA 13 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1j5c n LEU 14 N 0.00 1.19 -4.26 0.00 -0.00 -1.26 -1.91 117.00 110.75 1j5c n LEU 14 Ca -0.03 -4.99 -0.30 0.00 -0.00 0.00 0.00 56.01 50.69 1j5c n LEU 14 Cb 0.36 0.44 -0.16 0.00 -0.00 0.00 0.00 43.42 44.06 1j5c n LEU 14 CO 0.19 2.19 -0.55 0.68 -0.00 0.00 0.00 177.39 179.89 1j5c s VAL 15 N -2.13 1.92 -0.50 1.47 -7.23 -1.10 -4.36 120.40 108.46 1j5c s VAL 15 Ca 0.39 -1.02 -0.20 0.00 -1.81 0.00 0.00 61.98 59.34 1j5c s VAL 15 Cb 0.25 -1.61 0.05 0.00 0.56 0.00 0.00 36.38 35.64 1j5c s VAL 15 CO -0.09 0.54 0.69 0.12 -0.31 0.00 0.00 175.10 176.05 1j5c s PHE 16 N -0.37 3.00 -0.03 2.82 5.36 -1.23 -4.09 117.98 123.44 1j5c s PHE 16 Ca 0.03 -0.36 0.05 0.00 -0.96 0.00 0.00 56.93 55.69 1j5c s PHE 16 Cb -0.11 -3.62 -0.01 0.00 -0.34 0.00 0.00 43.02 38.95 1j5c s PHE 16 CO 0.01 -1.07 -0.17 -2.00 -1.46 0.00 0.00 175.22 170.52 1j5c s GLU 17 N 2.93 1.65 0.30 10.12 2.56 -1.26 -1.61 118.70 133.38 1j5c s GLU 17 Ca 0.19 -0.62 -0.29 0.00 0.00 0.00 0.00 54.97 54.26 1j5c s GLU 17 Cb -0.17 -1.49 -0.09 0.00 2.00 0.00 0.00 34.13 34.38 1j5c s GLU 17 CO 0.14 0.29 1.07 -1.25 -0.56 0.00 0.00 175.26 174.96 1j5c s PRO 18 N -0.13 4.58 0.26 4.30 0.04 -1.26 -3.25 135.00 139.54 1j5c s PRO 18 Ca 0.00 1.72 -0.10 0.00 0.04 0.00 0.00 61.00 62.67 1j5c s PRO 18 Cb -0.10 -3.08 0.40 0.00 0.04 0.00 0.00 34.50 31.76 1j5c s PRO 18 CO 0.01 0.18 1.58 1.03 0.04 0.00 0.00 177.00 179.84 1j5c h SER 19 N 3.61 -0.84 -3.22 6.66 0.87 -1.68 -3.35 113.55 115.60 1j5c h SER 19 Ca -0.47 0.27 -0.67 0.00 -1.23 0.00 0.00 61.79 59.69 1j5c h SER 19 Cb 1.21 0.56 -0.34 0.00 -0.44 0.00 0.00 62.40 63.39 1j5c h SER 19 CO 0.66 -0.30 -0.86 -0.89 -0.53 0.00 0.00 176.83 174.91 1j5c s THR 20 N -6.25 2.11 0.01 2.23 2.01 -1.26 -2.24 115.64 112.25 1j5c s THR 20 Ca -0.15 -0.96 0.08 0.00 0.31 0.00 0.00 61.69 60.97 1j5c s THR 20 Cb 0.25 -1.84 -0.02 0.00 0.01 0.00 0.00 72.50 70.89 1j5c s THR 20 CO 0.77 0.55 -0.25 0.68 -0.69 0.00 0.00 174.62 175.67 1j5c s VAL 21 N 0.79 2.18 0.02 3.82 -7.23 -1.24 -5.04 120.40 113.69 1j5c s VAL 21 Ca -0.08 -1.20 -0.26 0.00 -1.81 0.00 0.00 61.98 58.63 1j5c s VAL 21 Cb -0.16 -1.80 -0.05 0.00 0.56 0.00 0.00 36.38 34.93 1j5c s VAL 21 CO -0.01 0.48 0.80 0.42 -0.31 0.00 0.00 175.10 176.49 1j5c s THR 22 N -0.71 4.80 0.24 5.32 -4.23 -1.26 -2.69 115.64 117.11 1j5c s THR 22 Ca 0.11 1.70 0.05 0.00 -1.18 0.00 0.00 61.69 62.37 1j5c s THR 22 Cb -0.10 -4.15 -0.05 0.00 1.34 0.00 0.00 72.50 69.54 1j5c s THR 22 CO 0.01 0.30 -0.05 -0.51 -0.54 0.00 0.00 174.62 173.83 1j5c s ILE 23 N 0.30 1.40 0.20 2.99 -1.16 0.91 -4.72 121.20 121.12 1j5c s ILE 23 Ca 0.41 -2.10 0.07 0.00 -0.51 0.00 0.00 60.65 58.53 1j5c s ILE 23 Cb -0.20 -2.31 -0.04 0.00 0.61 0.00 0.00 42.46 40.51 1j5c s ILE 23 CO 0.23 -0.38 0.05 -0.54 -2.81 0.00 0.00 174.94 171.49 1j5c s LYS 24 N -3.77 2.55 -0.83 3.50 1.02 -1.26 0.01 119.74 120.95 1j5c s LYS 24 Ca 0.27 -1.11 -0.25 0.00 0.02 0.00 0.00 55.97 54.90 1j5c s LYS 24 Cb 0.04 -2.40 -0.02 0.00 -0.52 0.00 0.00 37.83 34.92 1j5c s LYS 24 CO 0.09 0.44 1.81 0.00 -0.92 0.00 0.00 175.35 176.77 1j5c s ALA 25 N -1.89 2.01 0.00 5.17 0.00 -1.26 -1.85 121.76 123.94 1j5c s ALA 25 Ca 0.29 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.87 1j5c s ALA 25 Cb -0.09 -4.47 0.00 0.00 0.00 0.00 0.00 23.12 18.56 1j5c s ALA 25 CO 0.21 -4.32 0.00 0.41 0.00 0.00 0.00 175.76 172.05 1j5c n GLY 26 N 6.47 1.23 3.56 0.00 0.00 0.46 -4.91 105.19 112.01 1j5c n GLY 26 Ca 0.32 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 -2.35 -4.38 1.61 -0.58 -0.77 -4.50 120.64 109.67 1j5c n GLU 27 Ca 0.00 -1.83 -0.21 0.00 -0.42 0.00 0.00 57.16 54.70 1j5c n GLU 27 Cb 0.00 -1.49 -0.09 0.00 -0.57 0.00 0.00 31.44 29.29 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 -5.59 1.70 -0.04 3.49 1.03 -1.26 0.55 118.70 118.58 1j5c s GLU 28 Ca 0.71 -1.99 0.02 0.00 0.03 0.00 0.00 54.97 53.74 1j5c s GLU 28 Cb -0.05 -0.21 0.01 0.00 -0.80 0.00 0.00 34.13 33.08 1j5c s GLU 28 CO 0.53 -0.47 -0.08 0.08 -1.33 0.00 0.00 175.26 173.99 1j5c s VAL 29 N -3.48 0.76 -0.15 1.83 1.01 0.31 -2.69 120.40 118.00 1j5c s VAL 29 Ca 0.33 -0.29 -0.15 0.00 0.00 0.00 0.00 61.98 61.87 1j5c s VAL 29 Cb 0.04 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 35.66 1j5c s VAL 29 CO 0.18 0.26 0.33 -0.75 0.00 0.00 0.00 175.10 175.12 1j5c s LYS 30 N 0.58 4.25 -0.39 2.72 2.20 -0.85 -2.16 119.74 126.08 1j5c s LYS 30 Ca -0.09 0.17 -0.01 0.00 -0.36 0.00 0.00 55.97 55.68 1j5c s LYS 30 Cb -0.13 -3.42 0.11 0.00 -1.51 0.00 0.00 37.83 32.88 1j5c s LYS 30 CO 0.01 0.25 0.16 -1.58 -0.36 0.00 0.00 175.35 173.83 1j5c s TRP 31 N 0.41 3.63 0.06 4.03 0.51 -0.30 -2.06 118.94 125.22 1j5c s TRP 31 Ca 0.19 -2.55 -0.21 0.00 -2.12 0.00 0.00 56.10 51.40 1j5c s TRP 31 Cb -0.13 -3.13 -0.06 0.00 -0.81 0.00 0.00 33.47 29.33 1j5c s TRP 31 CO 0.05 -0.96 0.64 0.08 -0.51 0.00 0.00 176.95 176.25 1j5c s VAL 32 N 1.09 4.73 -0.67 4.03 1.01 -1.17 -2.16 120.40 127.27 1j5c s VAL 32 Ca 0.09 1.36 -0.24 0.00 0.00 0.00 0.00 61.98 63.19 1j5c s VAL 32 Cb -0.22 -3.98 0.06 0.00 0.00 0.00 0.00 36.38 32.24 1j5c s VAL 32 CO -0.05 0.48 1.02 0.21 0.00 0.00 0.00 175.10 176.76 1j5c s ASN 33 N -0.66 6.18 0.00 3.32 2.47 -1.26 -2.42 114.94 122.57 1j5c s ASN 33 Ca 0.32 -0.84 0.00 0.00 0.42 0.00 0.00 52.86 52.76 1j5c s ASN 33 Cb -0.20 -2.45 0.00 0.00 -1.45 0.00 0.00 41.25 37.15 1j5c s ASN 33 CO 0.20 -1.51 0.94 -3.20 -3.72 0.00 0.00 177.10 169.82 1j5c n ASN 34 N 8.02 0.00 -1.65 -4.21 4.05 -1.26 -4.38 115.26 115.83 1j5c n ASN 34 Ca -0.02 0.94 -0.00 0.00 0.45 0.00 0.00 54.58 55.94 1j5c n ASN 34 Cb 0.46 -0.44 0.01 0.00 1.23 0.00 0.00 39.78 41.04 1j5c n ASN 34 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 1j5c n LYS 35 N -1.88 0.15 -2.72 1.20 4.81 -1.26 -4.72 118.16 113.74 1j5c n LYS 35 Ca 0.00 -0.36 -0.05 0.00 -0.87 0.00 0.00 58.31 57.04 1j5c n LYS 35 Cb 0.00 0.50 0.02 0.00 0.02 0.00 0.00 35.03 35.57 1j5c n LYS 35 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1j5c n LEU 36 N 0.00 -5.22 -4.88 3.14 4.32 -1.26 -4.74 117.00 108.36 1j5c n LEU 36 Ca -0.00 -0.25 -0.30 0.00 -0.02 0.00 0.00 56.01 55.44 1j5c n LEU 36 Cb 0.16 -2.64 0.02 0.00 -1.62 0.00 0.00 43.42 39.33 1j5c n LEU 36 CO 0.05 -0.46 0.67 -0.94 -1.22 0.00 0.00 177.39 175.50 1j5c s SER 37 N -2.97 5.99 1.04 -1.43 1.04 -1.26 -4.56 113.70 111.55 1j5c s SER 37 Ca 0.14 1.22 -0.06 0.00 0.48 0.00 0.00 55.95 57.74 1j5c s SER 37 Cb -0.02 -2.24 0.08 0.00 0.10 0.00 0.00 66.02 63.94 1j5c s SER 37 CO 0.55 -0.96 0.37 -0.81 0.98 0.00 0.00 173.24 173.37 1j5c n PRO 38 N -2.73 -1.02 -3.48 4.02 -0.04 -1.26 -5.11 135.00 125.37 1j5c n PRO 38 Ca 0.05 -0.58 -0.09 0.00 -0.04 0.00 0.00 63.50 62.85 1j5c n PRO 38 Cb 0.55 -0.46 -0.09 0.00 -0.04 0.00 0.00 33.50 33.47 1j5c n PRO 38 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1j5c s HIS 39 N -1.74 -0.81 0.01 0.54 3.76 -0.96 -4.94 115.29 111.15 1j5c s HIS 39 Ca 0.22 1.12 0.08 0.00 -0.15 0.00 0.00 55.06 56.34 1j5c s HIS 39 Cb -0.01 0.14 -0.03 0.00 1.11 0.00 0.00 32.58 33.79 1j5c s HIS 39 CO 0.16 -0.62 -0.24 -0.80 -0.85 0.00 0.00 174.74 172.39 1j5c s ASN 40 N 2.57 3.27 -0.57 1.40 0.01 -1.26 -2.28 114.94 118.07 1j5c s ASN 40 Ca 0.07 -0.49 0.06 0.00 -0.71 0.00 0.00 52.86 51.79 1j5c s ASN 40 Cb -0.14 -0.39 0.24 0.00 0.41 0.00 0.00 41.25 41.37 1j5c s ASN 40 CO -0.14 0.29 0.64 -0.38 -1.51 0.00 0.00 177.10 175.99 1j5c n ILE 41 N 2.04 1.32 -2.64 0.60 5.41 -1.26 -3.92 119.36 120.91 1j5c n ILE 41 Ca -0.16 -4.78 -0.41 0.00 1.00 0.00 0.00 62.75 58.40 1j5c n ILE 41 Cb 0.52 -2.05 -0.05 0.00 -0.71 0.00 0.00 39.64 37.35 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 -1.90 4.07 -0.18 1.39 1.01 -1.23 -1.59 120.40 121.97 1j5c s VAL 42 Ca 0.37 1.88 -0.05 0.00 0.00 0.00 0.00 61.98 64.18 1j5c s VAL 42 Cb 0.13 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 1j5c s VAL 42 CO -0.07 0.37 -0.01 -0.36 0.00 0.00 0.00 175.10 175.03 1j5c s PHE 43 N -0.57 3.05 0.74 5.22 0.40 -1.26 -1.28 117.98 124.29 1j5c s PHE 43 Ca 0.45 -0.36 -0.05 0.00 -0.60 0.00 0.00 56.93 56.38 1j5c s PHE 43 Cb -0.27 -2.03 0.12 0.00 0.51 0.00 0.00 43.02 41.34 1j5c s PHE 43 CO 0.33 -0.13 1.03 0.00 0.70 0.00 0.00 175.22 177.15 1j5c s ALA 44 N 0.70 3.33 -1.14 5.36 0.00 0.24 -4.70 121.76 125.55 1j5c s ALA 44 Ca -0.01 -1.41 -0.06 0.00 0.00 0.00 0.00 51.96 50.48 1j5c s ALA 44 Cb -0.14 -2.29 0.27 0.00 0.00 0.00 0.00 23.12 20.96 1j5c s ALA 44 CO 0.02 -1.53 1.58 0.00 0.00 0.00 0.00 175.76 175.84 1j5c n ALA 45 N -2.97 5.20 -2.75 0.00 0.00 -1.26 -4.26 120.51 114.46 1j5c n ALA 45 Ca 0.13 -4.66 -0.43 0.00 0.00 0.00 0.00 53.44 48.48 1j5c n ALA 45 Cb 0.60 -2.54 0.01 0.00 0.00 0.00 0.00 19.45 17.52 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 2.11 5.92 0.00 0.00 9.92 -1.26 -4.37 116.55 128.87 1j5c n ASP 46 Ca 0.30 -3.30 0.00 0.00 -0.53 0.00 0.00 54.79 51.26 1j5c n ASP 46 Cb 0.34 -1.35 0.00 0.00 -0.64 0.00 0.00 41.12 39.47 1j5c n ASP 46 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1j5c n GLY 47 N 1.89 3.22 3.90 0.44 0.00 -1.26 -4.70 105.19 108.67 1j5c n GLY 47 Ca 0.31 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.78 5.16 0.63 1.61 1.01 -1.26 -4.89 120.40 119.87 1j5c s VAL 48 Ca 0.00 -0.61 -0.19 0.00 0.00 0.00 0.00 61.98 61.18 1j5c s VAL 48 Cb 0.00 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 1j5c s VAL 48 CO 0.00 0.03 1.31 -1.81 0.00 0.00 0.00 175.10 174.63 1j5c s ASP 49 N -2.80 4.71 0.07 3.32 1.01 -1.26 -4.56 116.67 117.15 1j5c s ASP 49 Ca 0.34 2.66 -0.34 0.00 0.71 0.00 0.00 52.55 55.91 1j5c s ASP 49 Cb -0.12 -2.62 -0.18 0.00 1.01 0.00 0.00 42.92 41.01 1j5c s ASP 49 CO 0.27 -1.94 1.52 0.00 0.21 0.00 0.00 175.17 175.24 1j5c h ALA 50 N 0.71 -1.25 -0.54 5.23 0.00 -1.95 0.12 119.26 121.57 1j5c h ALA 50 Ca -0.51 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.24 1j5c h ALA 50 Cb 1.33 0.59 -0.10 0.00 0.00 0.00 0.00 17.79 19.61 1j5c h ALA 50 CO 0.54 -1.21 -0.49 -0.44 0.00 0.00 0.00 179.25 177.65 1j5c h ASP 51 N -1.12 -1.67 -0.99 0.00 5.19 -1.99 0.76 116.42 116.60 1j5c h ASP 51 Ca -0.10 0.25 0.22 0.00 -0.62 0.00 0.00 57.03 56.78 1j5c h ASP 51 Cb 0.90 0.73 -0.10 0.00 0.18 0.00 0.00 39.33 41.04 1j5c h ASP 51 CO 0.09 -0.35 0.62 0.74 -3.12 0.00 0.00 179.24 177.22 1j5c h THR 52 N -0.28 0.64 -0.06 0.35 2.02 -1.90 0.95 112.91 114.65 1j5c h THR 52 Ca 0.14 -0.20 -0.08 0.00 0.77 0.00 0.00 66.41 67.05 1j5c h THR 52 Cb 0.57 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1j5c h THR 52 CO -0.67 0.11 -0.32 0.00 0.37 0.00 0.00 175.52 175.01 1j5c h ALA 53 N 1.64 1.36 0.00 6.16 0.00 0.31 -0.74 119.26 127.99 1j5c h ALA 53 Ca 0.56 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1j5c h ALA 53 Cb 1.14 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1j5c h ALA 53 CO -0.32 0.46 -0.04 0.00 0.00 0.00 0.00 179.25 179.34 1j5c h ALA 54 N 1.58 1.01 0.15 0.00 0.00 0.41 1.41 119.26 123.82 1j5c h ALA 54 Ca 0.01 -0.04 -0.34 0.00 0.00 0.00 0.00 54.91 54.54 1j5c h ALA 54 Cb 0.61 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1j5c h ALA 54 CO 0.04 0.05 -1.75 0.87 0.00 0.00 0.00 179.25 178.47 1j5c h LYS 55 N 0.00 0.31 -0.00 0.00 1.57 -0.34 -3.31 116.57 114.80 1j5c h LYS 55 Ca -0.00 -0.52 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 1j5c h LYS 55 Cb 0.57 0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1j5c h LYS 55 CO 0.01 1.19 -0.42 1.28 -0.57 0.00 0.00 179.45 180.94 1j5c n LEU 56 N -3.50 0.45 -4.77 2.94 4.77 -0.42 -4.87 117.00 111.61 1j5c n LEU 56 Ca -0.24 0.06 -0.39 0.00 -0.03 0.00 0.00 56.01 55.42 1j5c n LEU 56 Cb 1.06 -0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 41.82 1j5c n LEU 56 CO 0.49 0.11 0.68 -0.55 -1.33 0.00 0.00 177.39 176.79 1j5c s SER 57 N -2.97 7.38 -0.52 -1.43 0.15 0.48 -4.61 113.70 112.19 1j5c s SER 57 Ca 0.12 1.97 -0.12 0.00 0.70 0.00 0.00 55.95 58.62 1j5c s SER 57 Cb 0.18 -2.60 0.13 0.00 -1.71 0.00 0.00 66.02 62.02 1j5c s SER 57 CO 0.67 -0.04 0.43 -1.00 1.20 0.00 0.00 173.24 174.49 1j5c s HIS 58 N -1.39 3.37 -0.51 3.44 3.76 -0.62 -4.87 115.29 118.47 1j5c s HIS 58 Ca 0.47 -1.66 0.02 0.00 -0.15 0.00 0.00 55.06 53.74 1j5c s HIS 58 Cb -0.24 -3.63 0.55 0.00 1.11 0.00 0.00 32.58 30.37 1j5c s HIS 58 CO 0.30 -1.00 1.94 1.63 -0.85 0.00 0.00 174.74 176.76 1j5c n LYS 59 N 4.99 2.36 0.00 1.40 5.02 -1.26 -3.96 118.16 126.71 1j5c n LYS 59 Ca -0.09 -2.97 0.00 0.00 -2.02 0.00 0.00 58.31 53.22 1j5c n LYS 59 Cb 0.41 -2.17 0.00 0.00 -0.02 0.00 0.00 35.03 33.25 1j5c n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j5c n GLY 60 N -0.96 2.74 3.50 0.72 0.00 -1.26 -5.15 105.19 104.78 1j5c n GLY 60 Ca 0.58 -1.83 0.01 0.00 0.00 0.00 0.00 46.02 44.78 1j5c n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j5c s LEU 61 N 0.00 -0.84 -0.19 0.99 1.43 -1.26 -4.86 118.68 113.96 1j5c s LEU 61 Ca 0.00 1.13 -0.12 0.00 -1.03 0.00 0.00 54.13 54.11 1j5c s LEU 61 Cb 0.00 1.95 -0.05 0.00 0.03 0.00 0.00 46.19 48.12 1j5c s LEU 61 CO 0.00 -0.16 0.22 0.00 0.23 0.00 0.00 176.35 176.64 1j5c s ALA 62 N 2.66 3.63 0.00 4.21 0.00 -0.97 -4.93 121.76 126.36 1j5c s ALA 62 Ca -0.04 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.34 1j5c s ALA 62 Cb -0.09 -2.31 0.00 0.00 0.00 0.00 0.00 23.12 20.72 1j5c s ALA 62 CO -0.18 0.08 0.00 1.19 0.00 0.00 0.00 175.76 176.84 1j5c n PHE 63 N 3.66 0.00 -2.62 0.00 3.01 -1.26 -2.25 117.46 117.99 1j5c n PHE 63 Ca -0.14 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 57.94 1j5c n PHE 63 Cb 0.52 0.08 -0.05 0.00 -0.01 0.00 0.00 39.48 40.01 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 -2.00 3.28 -1.23 4.37 0.00 -1.26 -4.72 121.76 120.20 1j5c s ALA 64 Ca 0.00 0.71 -0.21 0.00 0.00 0.00 0.00 51.96 52.46 1j5c s ALA 64 Cb 0.00 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 1j5c s ALA 64 CO 0.00 -0.01 1.87 0.00 0.00 0.00 0.00 175.76 177.62 1j5c s ALA 65 N -1.37 2.30 0.00 0.00 0.00 -1.26 -2.96 121.76 118.47 1j5c s ALA 65 Ca 0.48 -2.42 0.00 0.00 0.00 0.00 0.00 51.96 50.02 1j5c s ALA 65 Cb -0.25 -4.67 0.00 0.00 0.00 0.00 0.00 23.12 18.20 1j5c s ALA 65 CO 0.32 -4.61 0.00 0.41 0.00 0.00 0.00 175.76 171.88 1j5c n GLY 66 N 5.66 0.09 3.56 0.00 0.00 -1.26 -5.03 105.19 108.21 1j5c n GLY 66 Ca 0.46 -0.05 -0.41 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 -0.88 3.28 0.08 1.61 2.02 -1.15 -4.96 118.70 118.70 1j5c s GLU 67 Ca 0.00 -0.02 0.06 0.00 0.02 0.00 0.00 54.97 55.02 1j5c s GLU 67 Cb 0.00 -4.13 -0.04 0.00 0.10 0.00 0.00 34.13 30.06 1j5c s GLU 67 CO 0.00 -2.01 -0.07 -1.54 0.02 0.00 0.00 175.26 171.66 1j5c s SER 68 N 3.67 4.61 0.42 -0.19 1.04 -1.26 -4.38 113.70 117.62 1j5c s SER 68 Ca 0.39 -0.29 0.08 0.00 0.48 0.00 0.00 55.95 56.62 1j5c s SER 68 Cb -0.08 -0.98 0.01 0.00 0.10 0.00 0.00 66.02 65.07 1j5c s SER 68 CO 0.19 0.19 0.55 -0.36 0.98 0.00 0.00 173.24 174.79 1j5c s PHE 69 N -1.21 2.79 -0.08 5.02 0.08 -0.92 -4.90 117.98 118.76 1j5c s PHE 69 Ca 0.22 -0.41 -0.09 0.00 0.12 0.00 0.00 56.93 56.77 1j5c s PHE 69 Cb -0.11 -2.36 0.02 0.00 -0.57 0.00 0.00 43.02 40.00 1j5c s PHE 69 CO 0.14 -0.39 0.23 0.99 -0.10 0.00 0.00 175.22 176.09 1j5c s THR 70 N -2.37 0.01 -0.04 0.64 2.01 -1.26 -1.15 115.64 113.48 1j5c s THR 70 Ca 0.54 -0.09 -0.00 0.00 0.31 0.00 0.00 61.69 62.45 1j5c s THR 70 Cb -0.09 -0.36 0.03 0.00 0.01 0.00 0.00 72.50 72.08 1j5c s THR 70 CO 0.32 -0.05 0.01 -0.94 -0.69 0.00 0.00 174.62 173.27 1j5c s SER 71 N -0.10 0.66 -0.12 3.53 1.04 -0.92 -4.94 113.70 112.86 1j5c s SER 71 Ca -0.02 -0.03 -0.14 0.00 0.48 0.00 0.00 55.95 56.24 1j5c s SER 71 Cb -0.02 -0.25 -0.05 0.00 0.10 0.00 0.00 66.02 65.80 1j5c s SER 71 CO 0.01 -0.13 0.33 -0.89 0.98 0.00 0.00 173.24 173.54 1j5c s THR 72 N 1.26 5.25 -0.59 2.02 2.01 -1.26 -0.53 115.64 123.81 1j5c s THR 72 Ca -0.06 0.64 -0.16 0.00 0.31 0.00 0.00 61.69 62.42 1j5c s THR 72 Cb -0.13 -3.66 0.14 0.00 0.01 0.00 0.00 72.50 68.86 1j5c s THR 72 CO -0.02 0.43 0.54 -0.36 -0.69 0.00 0.00 174.62 174.52 1j5c s PHE 73 N 0.14 3.34 -0.04 4.92 0.40 0.19 -4.88 117.98 122.04 1j5c s PHE 73 Ca 0.19 -1.41 -0.16 0.00 -0.60 0.00 0.00 56.93 54.95 1j5c s PHE 73 Cb -0.14 -3.80 -0.32 0.00 0.51 0.00 0.00 43.02 39.27 1j5c s PHE 73 CO 0.07 -1.02 0.80 1.15 0.70 0.00 0.00 175.22 176.92 1j5c h THR 74 N 5.71 1.21 -3.42 0.64 2.02 -1.87 1.35 112.91 118.54 1j5c h THR 74 Ca -0.23 -2.55 -0.59 0.00 0.77 0.00 0.00 66.41 63.81 1j5c h THR 74 Cb 1.09 2.95 -0.10 0.00 -1.74 0.00 0.00 68.15 70.36 1j5c h THR 74 CO 0.99 0.77 0.00 -0.70 0.37 0.00 0.00 175.52 176.96 1j5c s GLU 75 N -2.52 4.23 -0.98 6.66 2.12 -1.26 -4.41 118.70 122.53 1j5c s GLU 75 Ca -0.14 0.51 -0.24 0.00 0.36 0.00 0.00 54.97 55.46 1j5c s GLU 75 Cb 0.04 -3.54 0.00 0.00 0.26 0.00 0.00 34.13 30.88 1j5c s GLU 75 CO 0.86 -0.12 1.70 -1.25 -0.54 0.00 0.00 175.26 175.90 1j5c s PRO 76 N 1.53 3.10 0.00 4.30 0.04 -1.26 -4.80 135.00 137.90 1j5c s PRO 76 Ca 0.27 -0.77 0.00 0.00 0.04 0.00 0.00 61.00 60.54 1j5c s PRO 76 Cb -0.16 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 29.16 1j5c s PRO 76 CO 0.10 -2.80 0.00 0.41 0.04 0.00 0.00 177.00 174.76 1j5c n GLY 77 N 6.80 5.55 2.64 0.56 0.00 -1.26 -4.95 105.19 114.52 1j5c n GLY 77 Ca 0.37 -0.93 -0.28 0.00 0.00 0.00 0.00 46.02 45.18 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 1.64 0.16 0.03 2.61 2.01 -1.26 -2.72 115.64 118.11 1j5c s THR 78 Ca 0.00 -0.53 -0.18 0.00 0.31 0.00 0.00 61.69 61.28 1j5c s THR 78 Cb 0.00 -0.90 -0.06 0.00 0.01 0.00 0.00 72.50 71.55 1j5c s THR 78 CO 0.00 -0.42 0.52 -0.31 -0.69 0.00 0.00 174.62 173.73 1j5c s TYR 79 N 2.01 3.76 0.04 4.92 1.51 -1.16 -4.42 117.35 124.01 1j5c s TYR 79 Ca 0.04 1.17 0.06 0.00 -1.01 0.00 0.00 57.07 57.33 1j5c s TYR 79 Cb -0.16 -2.45 -0.02 0.00 -0.11 0.00 0.00 41.96 39.21 1j5c s TYR 79 CO -0.17 0.56 -0.18 0.99 -1.11 0.00 0.00 175.55 175.64 1j5c s THR 80 N -0.92 1.43 0.34 -0.71 2.01 -1.26 -1.72 115.64 114.81 1j5c s THR 80 Ca 0.27 -1.10 0.01 0.00 0.31 0.00 0.00 61.69 61.18 1j5c s THR 80 Cb -0.18 -1.26 -0.00 0.00 0.01 0.00 0.00 72.50 71.06 1j5c s THR 80 CO 0.17 0.13 0.43 0.00 -0.69 0.00 0.00 174.62 174.65 1j5c n TYR 81 N 1.89 -1.26 -3.63 4.92 4.11 -1.25 0.79 117.16 122.73 1j5c n TYR 81 Ca -0.17 -2.45 -0.11 0.00 -0.00 0.00 0.00 57.90 55.16 1j5c n TYR 81 Cb 0.54 0.47 -0.07 0.00 -0.00 0.00 0.00 39.34 40.28 1j5c n TYR 81 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.86 178.38 1j5c s TYR 82 N -3.04 -0.62 -0.36 -3.48 1.13 -0.40 -4.61 117.35 105.97 1j5c s TYR 82 Ca 0.32 1.51 0.08 0.00 -1.41 0.00 0.00 57.07 57.57 1j5c s TYR 82 Cb -0.00 0.32 0.66 0.00 -1.10 0.00 0.00 41.96 41.84 1j5c s TYR 82 CO 0.23 -0.30 1.71 0.00 -2.51 0.00 0.00 175.55 174.68 1j5c n GLU 84 N -0.20 -2.46 -1.02 0.00 1.02 -1.26 -3.80 120.64 112.92 1j5c n GLU 84 Ca 0.39 1.81 -0.30 0.00 -0.02 0.00 0.00 57.16 59.03 1j5c n GLU 84 Cb 1.32 -3.04 -0.02 0.00 -0.02 0.00 0.00 31.44 29.68 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 -3.77 2.70 -1.71 3.49 -0.04 -1.25 -4.41 135.00 130.01 1j5c n PRO 85 Ca -0.03 -1.81 -0.32 0.00 -0.04 0.00 0.00 63.50 61.30 1j5c n PRO 85 Cb 0.64 -2.65 -0.07 0.00 -0.04 0.00 0.00 33.50 31.39 1j5c n PRO 85 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1j5c n HIS 86 N 4.23 2.25 0.00 0.54 1.44 -1.25 -4.57 115.22 117.86 1j5c n HIS 86 Ca 0.58 -1.42 0.00 0.00 -2.01 0.00 0.00 57.72 54.87 1j5c n HIS 86 Cb 0.19 -2.29 0.00 0.00 0.12 0.00 0.00 29.99 28.02 1j5c n HIS 86 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1j5c n ARG 87 N 7.91 0.00 0.00 -1.40 3.00 -1.26 -4.46 116.66 120.44 1j5c n ARG 87 Ca 0.46 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 58.30 1j5c n ARG 87 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.91 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 0.00 -0.08 0.80 -0.13 0.00 -1.26 -4.95 105.19 99.58 1j5c n GLY 88 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.46 0.00 -3.15 4.61 0.00 -1.26 -5.10 120.51 113.15 1j5c n ALA 89 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1j5c n ALA 89 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1j5c n ALA 89 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1j5c s GLY 90 N -1.16 -0.93 0.56 0.00 0.00 -1.26 -3.84 107.32 100.69 1j5c s GLY 90 Ca 0.00 1.86 0.34 0.00 0.00 0.00 0.00 44.72 46.92 1j5c s GLY 90 CO 0.00 3.76 1.79 1.98 0.00 0.00 0.00 173.10 180.63 1j5c h MET 91 N 7.80 0.00 0.00 2.90 4.05 -1.77 -3.46 114.93 124.45 1j5c h MET 91 Ca -0.10 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.32 1j5c h MET 91 Cb 1.18 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.98 1j5c h MET 91 CO 0.06 0.00 0.00 1.55 0.23 0.00 0.00 176.91 178.75 1j5c n VAL 92 N -4.02 0.00 0.00 -5.77 3.14 -1.26 -3.56 118.33 106.86 1j5c n VAL 92 Ca 0.21 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.59 1j5c n VAL 92 Cb 1.13 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.91 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 0.00 2.64 3.11 7.55 0.00 -1.26 -4.69 105.19 112.54 1j5c n GLY 93 Ca 0.00 -1.55 -0.09 0.00 0.00 0.00 0.00 46.02 44.38 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 -5.01 0.61 0.12 1.61 -2.85 -0.95 -3.88 119.74 109.39 1j5c s LYS 94 Ca 0.00 -0.85 0.05 0.00 -1.00 0.00 0.00 55.97 54.17 1j5c s LYS 94 Cb 0.00 0.23 -0.04 0.00 -2.06 0.00 0.00 37.83 35.96 1j5c s LYS 94 CO 0.00 -0.15 0.04 0.08 0.10 0.00 0.00 175.35 175.42 1j5c s VAL 95 N -2.93 4.12 -0.06 1.79 1.01 -0.70 -3.61 120.40 120.03 1j5c s VAL 95 Ca -0.02 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 60.87 1j5c s VAL 95 Cb 0.01 -3.02 0.03 0.00 0.00 0.00 0.00 36.38 33.39 1j5c s VAL 95 CO -0.06 0.02 0.01 -0.69 0.00 0.00 0.00 175.10 174.38 1j5c s VAL 96 N -1.51 0.24 -0.09 2.92 1.01 -1.10 -3.00 120.40 118.87 1j5c s VAL 96 Ca 0.28 0.18 -0.13 0.00 0.00 0.00 0.00 61.98 62.31 1j5c s VAL 96 Cb -0.11 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.82 1j5c s VAL 96 CO 0.20 0.22 0.31 -0.69 0.00 0.00 0.00 175.10 175.15 1j5c s VAL 97 N 1.85 5.24 -2.36 2.92 1.01 -1.10 -0.07 120.40 127.90 1j5c s VAL 97 Ca 0.02 0.61 0.29 0.00 0.00 0.00 0.00 61.98 62.90 1j5c s VAL 97 Cb -0.12 -3.62 0.65 0.00 0.00 0.00 0.00 36.38 33.28 1j5c s VAL 97 CO -0.04 0.50 1.88 -0.67 0.00 0.00 0.00 175.10 176.77