#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 1.46 -0.37 0.00 2.20 -1.26 -4.73 114.94 112.24 1j5c s ASN 2 Ca 0.00 -1.46 -0.04 0.00 -0.94 0.00 0.00 52.86 50.42 1j5c s ASN 2 Cb 0.00 0.25 0.08 0.00 -2.00 0.00 0.00 41.25 39.58 1j5c s ASN 2 CO 0.00 -0.79 0.14 0.00 -2.94 0.00 0.00 177.10 173.51 1j5c s ALA 3 N -3.65 3.07 0.32 3.54 0.00 -1.16 -4.99 121.76 118.89 1j5c s ALA 3 Ca 0.36 -2.13 0.04 0.00 0.00 0.00 0.00 51.96 50.24 1j5c s ALA 3 Cb 0.07 -2.31 -0.02 0.00 0.00 0.00 0.00 23.12 20.86 1j5c s ALA 3 CO 0.15 -1.56 0.47 -0.08 0.00 0.00 0.00 175.76 174.74 1j5c s THR 4 N 1.27 4.61 0.10 0.00 -1.32 -1.26 -2.54 115.64 116.50 1j5c s THR 4 Ca 0.02 -0.87 -0.07 0.00 -1.21 0.00 0.00 61.69 59.56 1j5c s THR 4 Cb -0.21 -3.63 -0.01 0.00 -1.51 0.00 0.00 72.50 67.13 1j5c s THR 4 CO -0.01 -0.29 0.17 -0.69 -2.21 0.00 0.00 174.62 171.59 1j5c s VAL 5 N -2.17 0.13 -0.22 5.08 1.01 0.32 -4.80 120.40 119.74 1j5c s VAL 5 Ca 0.41 -1.36 -0.02 0.00 0.00 0.00 0.00 61.98 61.00 1j5c s VAL 5 Cb -0.09 -1.53 0.01 0.00 0.00 0.00 0.00 36.38 34.76 1j5c s VAL 5 CO 0.32 -0.60 -0.07 -0.54 0.00 0.00 0.00 175.10 174.21 1j5c s LYS 6 N -3.91 3.12 -1.04 2.72 1.02 -1.18 -1.28 119.74 119.19 1j5c s LYS 6 Ca 0.10 -0.78 -0.23 0.00 0.02 0.00 0.00 55.97 55.07 1j5c s LYS 6 Cb 0.05 -2.93 -0.12 0.00 -0.52 0.00 0.00 37.83 34.31 1j5c s LYS 6 CO -0.07 -0.27 1.93 -1.33 -0.92 0.00 0.00 175.35 174.68 1j5c n MET 7 N 4.73 1.47 0.00 1.68 2.81 -0.56 -2.92 117.12 124.34 1j5c n MET 7 Ca -0.18 -2.24 0.00 0.00 -1.81 0.00 0.00 57.70 53.47 1j5c n MET 7 Cb 0.49 -3.50 0.00 0.00 -0.71 0.00 0.00 33.22 29.50 1j5c n MET 7 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1j5c n GLY 8 N 5.46 0.04 3.26 3.03 0.00 -1.22 -4.07 105.19 111.68 1j5c n GLY 8 Ca 0.46 -2.03 -0.14 0.00 0.00 0.00 0.00 46.02 44.30 1j5c n GLY 8 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1j5c s SER 9 N -4.00 1.42 0.06 1.61 0.15 -1.03 -4.08 113.70 107.83 1j5c s SER 9 Ca 0.00 -1.15 -0.35 0.00 0.70 0.00 0.00 55.95 55.15 1j5c s SER 9 Cb 0.00 0.08 -0.19 0.00 -1.71 0.00 0.00 66.02 64.20 1j5c s SER 9 CO 0.00 -0.52 1.53 0.44 1.20 0.00 0.00 173.24 175.89 1j5c h ASP 10 N 2.67 -1.14 -0.45 5.45 5.19 -1.96 -3.13 116.42 123.04 1j5c h ASP 10 Ca -0.37 0.06 0.05 0.00 -0.62 0.00 0.00 57.03 56.14 1j5c h ASP 10 Cb 1.20 0.32 -0.07 0.00 0.18 0.00 0.00 39.33 40.96 1j5c h ASP 10 CO 0.63 -0.73 -0.46 0.28 -3.12 0.00 0.00 179.24 175.84 1j5c h SER 11 N -1.18 -1.58 0.00 6.45 0.02 -2.01 -3.45 113.55 111.79 1j5c h SER 11 Ca -0.11 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1j5c h SER 11 Cb 0.93 0.66 0.00 0.00 0.14 0.00 0.00 62.40 64.14 1j5c h SER 11 CO 0.14 -0.30 0.00 0.61 -1.14 0.00 0.00 176.83 176.14 1j5c n GLY 12 N -1.28 -1.23 3.52 -3.77 0.00 -1.18 -5.11 105.19 96.13 1j5c n GLY 12 Ca -0.02 0.42 -0.24 0.00 0.00 0.00 0.00 46.02 46.19 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 2.86 -0.21 4.61 0.00 -1.25 -4.90 121.76 122.87 1j5c s ALA 13 Ca 0.00 -1.85 -0.16 0.00 0.00 0.00 0.00 51.96 49.95 1j5c s ALA 13 Cb 0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 23.12 22.66 1j5c s ALA 13 CO 0.00 0.26 -0.18 1.28 0.00 0.00 0.00 175.76 177.11 1j5c n LEU 14 N -0.70 1.90 -4.69 0.00 4.32 -1.26 -2.47 117.00 114.10 1j5c n LEU 14 Ca -0.05 0.42 -0.58 0.00 -0.02 0.00 0.00 56.01 55.77 1j5c n LEU 14 Cb 0.60 -0.85 -0.07 0.00 -1.62 0.00 0.00 43.42 41.48 1j5c n LEU 14 CO 0.39 0.09 1.22 1.33 -1.22 0.00 0.00 177.39 179.19 1j5c n VAL 15 N -4.42 0.21 -2.52 4.08 0.24 -1.26 -3.46 118.33 111.20 1j5c n VAL 15 Ca -0.30 -0.04 -0.38 0.00 -2.04 0.00 0.00 64.34 61.58 1j5c n VAL 15 Cb 0.62 -1.03 -0.04 0.00 -1.47 0.00 0.00 33.84 31.92 1j5c n VAL 15 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1j5c s PHE 16 N 2.91 3.40 -0.01 6.34 0.08 -1.25 -4.16 117.98 125.29 1j5c s PHE 16 Ca 0.97 1.67 -0.00 0.00 0.12 0.00 0.00 56.93 59.69 1j5c s PHE 16 Cb -1.12 -3.19 0.02 0.00 -0.57 0.00 0.00 43.02 38.16 1j5c s PHE 16 CO 0.65 -0.58 0.03 -2.00 -0.10 0.00 0.00 175.22 173.21 1j5c s GLU 17 N -2.06 -0.02 0.14 0.44 -6.30 -1.15 -1.68 118.70 108.07 1j5c s GLU 17 Ca 0.52 0.13 -0.30 0.00 -2.50 0.00 0.00 54.97 52.82 1j5c s GLU 17 Cb -0.26 -0.15 -0.07 0.00 0.00 0.00 0.00 34.13 33.65 1j5c s GLU 17 CO 0.33 -0.11 1.14 -1.25 0.02 0.00 0.00 175.26 175.39 1j5c s PRO 18 N 0.68 4.53 0.16 4.30 0.04 -1.26 -3.12 135.00 140.33 1j5c s PRO 18 Ca -0.06 1.74 -0.20 0.00 0.04 0.00 0.00 61.00 62.52 1j5c s PRO 18 Cb -0.08 -3.30 0.06 0.00 0.04 0.00 0.00 34.50 31.22 1j5c s PRO 18 CO -0.02 -0.05 1.64 0.66 0.04 0.00 0.00 177.00 179.27 1j5c h SER 19 N 5.68 -0.64 -3.27 6.66 4.64 -1.68 -3.40 113.55 121.54 1j5c h SER 19 Ca -0.43 0.14 -0.64 0.00 -0.47 0.00 0.00 61.79 60.38 1j5c h SER 19 Cb 1.21 0.33 -0.17 0.00 -0.31 0.00 0.00 62.40 63.47 1j5c h SER 19 CO 0.75 -0.23 -0.60 -0.89 -0.87 0.00 0.00 176.83 174.99 1j5c s THR 20 N -6.13 4.44 0.01 2.95 2.01 -1.26 -2.35 115.64 115.31 1j5c s THR 20 Ca -0.14 -0.18 -0.00 0.00 0.31 0.00 0.00 61.69 61.68 1j5c s THR 20 Cb 0.13 -2.94 -0.01 0.00 0.01 0.00 0.00 72.50 69.69 1j5c s THR 20 CO 0.69 0.52 -0.01 0.68 -0.69 0.00 0.00 174.62 175.82 1j5c s VAL 21 N -0.10 0.06 0.39 3.82 -7.23 -1.24 -5.04 120.40 111.05 1j5c s VAL 21 Ca 0.05 -0.46 -0.17 0.00 -1.81 0.00 0.00 61.98 59.59 1j5c s VAL 21 Cb -0.12 -0.15 -0.10 0.00 0.56 0.00 0.00 36.38 36.57 1j5c s VAL 21 CO 0.02 -0.25 0.85 -0.89 -0.31 0.00 0.00 175.10 174.52 1j5c s THR 22 N -0.74 4.55 -0.06 5.32 2.01 -1.26 -2.26 115.64 123.20 1j5c s THR 22 Ca -0.08 1.18 -0.05 0.00 0.31 0.00 0.00 61.69 63.06 1j5c s THR 22 Cb -0.05 -3.62 0.02 0.00 0.01 0.00 0.00 72.50 68.86 1j5c s THR 22 CO -0.00 -0.30 0.15 -0.51 -0.69 0.00 0.00 174.62 173.27 1j5c s ILE 23 N -2.14 -0.01 0.36 1.82 -1.16 0.78 -4.37 121.20 116.48 1j5c s ILE 23 Ca 0.58 0.05 -0.25 0.00 -0.51 0.00 0.00 60.65 60.52 1j5c s ILE 23 Cb -0.10 -0.23 -0.10 0.00 0.61 0.00 0.00 42.46 42.64 1j5c s ILE 23 CO 0.17 0.02 0.99 -0.54 -2.81 0.00 0.00 174.94 172.77 1j5c s LYS 24 N 0.42 4.40 -0.60 3.50 -0.14 -1.26 -2.33 119.74 123.73 1j5c s LYS 24 Ca -0.03 1.39 -0.26 0.00 -1.36 0.00 0.00 55.97 55.71 1j5c s LYS 24 Cb -0.04 -2.66 -0.03 0.00 -1.68 0.00 0.00 37.83 33.42 1j5c s LYS 24 CO -0.02 0.10 1.92 0.00 -0.76 0.00 0.00 175.35 176.59 1j5c s ALA 25 N -1.67 2.10 0.00 5.17 0.00 -1.26 -1.57 121.76 124.53 1j5c s ALA 25 Ca 0.54 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.90 1j5c s ALA 25 Cb -0.19 -4.31 0.00 0.00 0.00 0.00 0.00 23.12 18.61 1j5c s ALA 25 CO 0.25 -3.98 0.00 0.41 0.00 0.00 0.00 175.76 172.44 1j5c n GLY 26 N 5.75 0.90 3.38 0.00 0.00 0.11 -4.95 105.19 110.38 1j5c n GLY 26 Ca 0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.24 -4.58 1.61 -0.58 -0.61 -4.63 120.64 109.60 1j5c n GLU 27 Ca 0.00 -1.74 -0.27 0.00 -0.42 0.00 0.00 57.16 54.73 1j5c n GLU 27 Cb 0.00 -1.41 -0.09 0.00 -0.57 0.00 0.00 31.44 29.37 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 -5.46 1.95 0.26 3.49 1.03 -1.26 -1.65 118.70 117.07 1j5c s GLU 28 Ca 0.67 -2.18 0.09 0.00 0.03 0.00 0.00 54.97 53.59 1j5c s GLU 28 Cb -0.05 -1.06 -0.05 0.00 -0.80 0.00 0.00 34.13 32.17 1j5c s GLU 28 CO 0.50 -0.33 -0.13 0.08 -1.33 0.00 0.00 175.26 174.05 1j5c s VAL 29 N -3.07 1.98 -0.16 1.83 1.01 0.30 -2.97 120.40 119.32 1j5c s VAL 29 Ca 0.23 -2.24 -0.02 0.00 0.00 0.00 0.00 61.98 59.94 1j5c s VAL 29 Cb 0.05 -2.29 0.05 0.00 0.00 0.00 0.00 36.38 34.19 1j5c s VAL 29 CO 0.12 -0.42 0.01 -0.75 0.00 0.00 0.00 175.10 174.05 1j5c s LYS 30 N -3.62 0.83 -0.54 2.72 2.20 -1.05 -2.31 119.74 117.96 1j5c s LYS 30 Ca 0.27 -0.32 -0.15 0.00 -0.36 0.00 0.00 55.97 55.42 1j5c s LYS 30 Cb -0.00 -1.82 0.13 0.00 -1.51 0.00 0.00 37.83 34.63 1j5c s LYS 30 CO 0.11 -0.51 0.48 -1.58 -0.36 0.00 0.00 175.35 173.50 1j5c s TRP 31 N 1.83 3.31 -0.03 4.03 0.51 -1.03 -0.52 118.94 127.03 1j5c s TRP 31 Ca 0.01 -1.45 -0.19 0.00 -2.12 0.00 0.00 56.10 52.35 1j5c s TRP 31 Cb -0.16 -3.74 -0.05 0.00 -0.81 0.00 0.00 33.47 28.71 1j5c s TRP 31 CO -0.07 -1.01 0.53 0.08 -0.51 0.00 0.00 176.95 175.97 1j5c s VAL 32 N 1.47 5.00 -0.09 4.03 1.01 -0.40 -3.05 120.40 128.37 1j5c s VAL 32 Ca 0.04 1.10 -0.19 0.00 0.00 0.00 0.00 61.98 62.94 1j5c s VAL 32 Cb -0.28 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1j5c s VAL 32 CO 0.02 0.42 0.52 0.21 0.00 0.00 0.00 175.10 176.27 1j5c s ASN 33 N -0.11 6.78 -0.18 3.32 3.84 -1.25 -1.50 114.94 125.84 1j5c s ASN 33 Ca 0.28 0.93 -0.10 0.00 0.21 0.00 0.00 52.86 54.18 1j5c s ASN 33 Cb -0.17 -2.31 -0.08 0.00 -0.55 0.00 0.00 41.25 38.14 1j5c s ASN 33 CO 0.15 0.02 -0.25 -0.46 -2.79 0.00 0.00 177.10 173.76 1j5c n ASN 34 N 3.45 1.40 -2.00 -4.21 6.94 -1.26 -3.90 115.26 115.69 1j5c n ASN 34 Ca -0.06 0.24 -0.03 0.00 -0.02 0.00 0.00 54.58 54.71 1j5c n ASN 34 Cb 0.51 -0.58 0.01 0.00 -2.36 0.00 0.00 39.78 37.37 1j5c n ASN 34 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1j5c n LYS 35 N -3.91 0.44 -2.47 -3.83 5.02 -1.26 -4.93 118.16 107.22 1j5c n LYS 35 Ca -0.34 -0.90 -0.00 0.00 -2.02 0.00 0.00 58.31 55.04 1j5c n LYS 35 Cb 0.72 1.17 0.00 0.00 -0.02 0.00 0.00 35.03 36.90 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 -4.95 -4.90 -0.35 7.99 -1.26 -4.70 117.00 108.83 1j5c n LEU 36 Ca -0.03 -0.05 -0.31 0.00 -0.01 0.00 0.00 56.01 55.61 1j5c n LEU 36 Cb 0.29 -2.42 -0.04 0.00 -0.11 0.00 0.00 43.42 41.13 1j5c n LEU 36 CO 0.12 -0.68 0.03 -0.94 -1.51 0.00 0.00 177.39 174.42 1j5c s SER 37 N -2.63 6.48 1.01 -1.43 1.04 -1.26 -4.20 113.70 112.71 1j5c s SER 37 Ca 0.01 0.57 -0.02 0.00 0.48 0.00 0.00 55.95 56.99 1j5c s SER 37 Cb -0.00 -2.08 0.03 0.00 0.10 0.00 0.00 66.02 64.07 1j5c s SER 37 CO 0.46 0.04 0.15 -0.81 0.98 0.00 0.00 173.24 174.05 1j5c n PRO 38 N -0.01 -0.70 -3.05 4.02 -0.04 -1.26 -4.94 135.00 129.01 1j5c n PRO 38 Ca -0.03 -0.23 -0.15 0.00 -0.04 0.00 0.00 63.50 63.06 1j5c n PRO 38 Cb 0.52 -0.18 -0.04 0.00 -0.04 0.00 0.00 33.50 33.76 1j5c n PRO 38 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1j5c n HIS 39 N -2.50 -2.41 -3.07 0.54 8.25 -0.21 -4.92 115.22 110.90 1j5c n HIS 39 Ca 0.02 -2.32 -0.39 0.00 -0.26 0.00 0.00 57.72 54.77 1j5c n HIS 39 Cb 0.07 0.88 -0.06 0.00 1.12 0.00 0.00 29.99 32.00 1j5c n HIS 39 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1j5c s ASN 40 N 0.30 7.27 -0.64 0.41 3.84 -1.26 -3.66 114.94 121.19 1j5c s ASN 40 Ca 0.32 1.51 0.06 0.00 0.21 0.00 0.00 52.86 54.95 1j5c s ASN 40 Cb 0.04 -2.45 0.23 0.00 -0.55 0.00 0.00 41.25 38.51 1j5c s ASN 40 CO -0.13 0.21 0.67 -0.38 -2.79 0.00 0.00 177.10 174.67 1j5c n ILE 41 N 1.79 1.96 -2.78 -5.21 5.41 -1.26 -4.12 119.36 115.15 1j5c n ILE 41 Ca -0.07 -5.04 -0.38 0.00 1.00 0.00 0.00 62.75 58.27 1j5c n ILE 41 Cb 0.49 -2.11 -0.06 0.00 -0.71 0.00 0.00 39.64 37.26 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 -2.12 4.18 -0.11 1.39 1.01 -1.22 -1.90 120.40 121.64 1j5c s VAL 42 Ca 0.36 1.89 0.03 0.00 0.00 0.00 0.00 61.98 64.26 1j5c s VAL 42 Cb 0.10 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 1j5c s VAL 42 CO -0.06 0.25 -0.21 -0.36 0.00 0.00 0.00 175.10 174.72 1j5c s PHE 43 N -1.48 2.63 0.29 5.22 0.40 -1.26 -1.85 117.98 121.92 1j5c s PHE 43 Ca 0.47 -0.90 -0.07 0.00 -0.60 0.00 0.00 56.93 55.83 1j5c s PHE 43 Cb -0.21 -1.74 -0.06 0.00 0.51 0.00 0.00 43.02 41.52 1j5c s PHE 43 CO 0.26 -0.34 0.58 0.00 0.70 0.00 0.00 175.22 176.42 1j5c s ALA 44 N 0.30 3.57 -1.12 5.36 0.00 -0.81 -4.64 121.76 124.42 1j5c s ALA 44 Ca -0.15 -0.44 -0.10 0.00 0.00 0.00 0.00 51.96 51.26 1j5c s ALA 44 Cb -0.17 -2.38 0.26 0.00 0.00 0.00 0.00 23.12 20.82 1j5c s ALA 44 CO 0.08 0.27 1.16 0.00 0.00 0.00 0.00 175.76 177.27 1j5c s ALA 45 N -2.06 4.58 0.00 0.00 0.00 -1.26 -4.49 121.76 118.52 1j5c s ALA 45 Ca 0.46 -3.73 0.00 0.00 0.00 0.00 0.00 51.96 48.68 1j5c s ALA 45 Cb -0.11 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.34 1j5c s ALA 45 CO 0.28 -2.32 0.00 -0.25 0.00 0.00 0.00 175.76 173.47 1j5c n ASP 46 N 3.32 0.00 -1.14 0.00 9.92 -1.26 -4.67 116.55 122.72 1j5c n ASP 46 Ca 0.26 0.00 0.07 0.00 -0.53 0.00 0.00 54.79 54.59 1j5c n ASP 46 Cb 0.40 -0.32 0.25 0.00 -0.64 0.00 0.00 41.12 40.81 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 1.96 1.82 3.22 0.44 0.00 -1.26 -4.89 105.19 106.47 1j5c n GLY 47 Ca 0.00 -0.60 -0.12 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 -1.61 0.64 1.17 1.61 1.01 -1.26 -4.68 120.40 117.27 1j5c s VAL 48 Ca 0.36 -1.96 -0.17 0.00 0.00 0.00 0.00 61.98 60.21 1j5c s VAL 48 Cb 0.22 -2.00 0.27 0.00 0.00 0.00 0.00 36.38 34.87 1j5c s VAL 48 CO 0.20 -0.58 1.09 -1.81 0.00 0.00 0.00 175.10 174.00 1j5c s ASP 49 N -3.13 1.21 -0.09 3.32 1.01 -1.26 -4.69 116.67 113.04 1j5c s ASP 49 Ca 0.21 0.82 -0.01 0.00 0.71 0.00 0.00 52.55 54.28 1j5c s ASP 49 Cb 0.06 -1.21 -0.00 0.00 1.01 0.00 0.00 42.92 42.77 1j5c s ASP 49 CO 0.02 -3.97 0.03 0.00 0.21 0.00 0.00 175.17 171.46 1j5c h ALA 50 N -2.47 -0.02 -0.78 5.23 0.00 -1.97 -2.38 119.26 116.87 1j5c h ALA 50 Ca -0.48 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 54.53 1j5c h ALA 50 Cb 1.31 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.98 1j5c h ALA 50 CO 0.41 -0.02 -0.43 -0.44 0.00 0.00 0.00 179.25 178.77 1j5c h ASP 51 N -0.90 -1.53 0.48 0.00 3.32 -1.99 0.66 116.42 116.47 1j5c h ASP 51 Ca -0.00 0.28 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 1j5c h ASP 51 Cb 0.02 0.73 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 1j5c h ASP 51 CO 0.00 -0.30 -0.50 0.74 -1.72 0.00 0.00 179.24 177.46 1j5c h THR 52 N -0.11 0.02 -0.47 0.35 2.02 -1.97 0.68 112.91 113.43 1j5c h THR 52 Ca 0.24 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.55 1j5c h THR 52 Cb 0.55 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 1j5c h THR 52 CO -0.82 0.00 0.61 0.00 0.37 0.00 0.00 175.52 175.68 1j5c h ALA 53 N -0.83 2.18 0.43 6.16 0.00 -0.56 0.28 119.26 126.92 1j5c h ALA 53 Ca -0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1j5c h ALA 53 Cb 0.86 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1j5c h ALA 53 CO -0.08 -0.85 -0.20 0.00 0.00 0.00 0.00 179.25 178.12 1j5c h ALA 54 N 1.22 -0.57 0.00 0.00 0.00 0.26 1.56 119.26 121.73 1j5c h ALA 54 Ca 0.22 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1j5c h ALA 54 Cb 1.44 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 1j5c h ALA 54 CO -0.00 -0.67 -0.21 -0.22 0.00 0.00 0.00 179.25 178.14 1j5c h LYS 55 N -0.86 0.00 0.00 0.00 3.64 -0.06 -1.04 116.57 118.25 1j5c h LYS 55 Ca -0.06 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.21 1j5c h LYS 55 Cb 0.56 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1j5c h LYS 55 CO 0.10 0.21 -0.59 -0.07 -2.27 0.00 0.00 179.45 176.83 1j5c h LEU 56 N 0.00 0.00 -9.75 5.20 -0.00 -0.56 -3.45 115.31 106.75 1j5c h LEU 56 Ca -0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 57.88 57.38 1j5c h LEU 56 Cb 0.41 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.06 1j5c h LEU 56 CO 0.03 0.53 0.39 -0.55 -0.00 0.00 0.00 178.44 178.83 1j5c s SER 57 N -6.42 7.52 -0.46 -0.43 0.15 0.53 -4.55 113.70 110.03 1j5c s SER 57 Ca 0.03 2.04 -0.08 0.00 0.70 0.00 0.00 55.95 58.65 1j5c s SER 57 Cb 0.08 -2.61 0.12 0.00 -1.71 0.00 0.00 66.02 61.89 1j5c s SER 57 CO 0.75 0.05 0.32 -1.00 1.20 0.00 0.00 173.24 174.56 1j5c s HIS 58 N -1.08 3.47 -0.34 3.44 3.76 -0.80 -4.87 115.29 118.87 1j5c s HIS 58 Ca 0.43 -2.03 0.09 0.00 -0.15 0.00 0.00 55.06 53.39 1j5c s HIS 58 Cb -0.28 -3.43 0.69 0.00 1.11 0.00 0.00 32.58 30.67 1j5c s HIS 58 CO 0.35 -0.99 1.77 1.63 -0.85 0.00 0.00 174.74 176.65 1j5c n LYS 59 N 4.79 3.15 -0.05 1.40 5.02 -1.26 -4.08 118.16 127.12 1j5c n LYS 59 Ca -0.06 -3.07 -0.10 0.00 -2.02 0.00 0.00 58.31 53.06 1j5c n LYS 59 Cb 0.41 -2.14 -0.15 0.00 -0.02 0.00 0.00 35.03 33.13 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 -0.50 -0.96 1.77 0.72 0.00 -1.26 -5.08 105.19 99.87 1j5c n GLY 60 Ca 0.43 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.97 -5.54 -4.85 0.99 7.94 -1.26 -5.01 117.00 106.30 1j5c n LEU 61 Ca -0.24 2.78 -0.24 0.00 -1.11 0.00 0.00 56.01 57.21 1j5c n LEU 61 Cb 1.09 -2.76 -0.04 0.00 0.53 0.00 0.00 43.42 42.24 1j5c n LEU 61 CO 0.44 -1.27 -0.16 0.00 -1.11 0.00 0.00 177.39 175.29 1j5c s ALA 62 N -0.77 3.67 0.00 1.96 0.00 -1.24 -4.97 121.76 120.40 1j5c s ALA 62 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.68 1j5c s ALA 62 Cb 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 23.12 21.69 1j5c s ALA 62 CO 0.00 0.36 0.00 1.97 0.00 0.00 0.00 175.76 178.09 1j5c n PHE 63 N -0.87 -1.64 -2.78 0.00 -1.74 -1.26 -1.04 117.46 108.12 1j5c n PHE 63 Ca -0.08 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.38 1j5c n PHE 63 Cb 0.56 0.35 -0.04 0.00 1.52 0.00 0.00 39.48 41.88 1j5c n PHE 63 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1j5c s ALA 64 N -1.70 3.33 0.55 1.98 0.00 -1.26 -4.72 121.76 119.93 1j5c s ALA 64 Ca 0.00 -0.54 -0.19 0.00 0.00 0.00 0.00 51.96 51.24 1j5c s ALA 64 Cb 0.00 -3.62 -0.09 0.00 0.00 0.00 0.00 23.12 19.41 1j5c s ALA 64 CO 0.00 -1.82 0.59 0.00 0.00 0.00 0.00 175.76 174.53 1j5c n ALA 65 N 7.04 -0.99 0.00 0.00 0.00 -1.26 -2.79 120.51 122.50 1j5c n ALA 65 Ca 0.08 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1j5c n ALA 65 Cb 0.48 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 18.07 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 1.71 2.84 3.70 0.00 0.00 -1.25 -5.05 105.19 107.15 1j5c n GLY 66 Ca 0.12 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 1j5c n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j5c s GLU 67 N 0.00 4.42 -0.03 1.61 2.02 -1.12 -4.86 118.70 120.75 1j5c s GLU 67 Ca 0.00 1.70 0.01 0.00 0.02 0.00 0.00 54.97 56.70 1j5c s GLU 67 Cb 0.00 -3.43 0.01 0.00 0.10 0.00 0.00 34.13 30.81 1j5c s GLU 67 CO 0.00 -0.30 -0.04 -1.12 0.02 0.00 0.00 175.26 173.83 1j5c s SER 68 N 1.20 0.72 0.75 -0.19 0.01 -1.26 -3.86 113.70 111.06 1j5c s SER 68 Ca 0.57 -0.10 -0.02 0.00 1.31 0.00 0.00 55.95 57.71 1j5c s SER 68 Cb -0.27 -0.28 0.14 0.00 0.21 0.00 0.00 66.02 65.82 1j5c s SER 68 CO 0.27 -0.02 1.03 -0.36 0.41 0.00 0.00 173.24 174.57 1j5c s PHE 69 N 0.59 1.54 0.01 2.43 0.08 -1.17 -4.89 117.98 116.56 1j5c s PHE 69 Ca -0.07 -0.23 -0.08 0.00 0.12 0.00 0.00 56.93 56.67 1j5c s PHE 69 Cb -0.10 -3.11 0.00 0.00 -0.57 0.00 0.00 43.02 39.24 1j5c s PHE 69 CO -0.00 -1.83 0.16 0.99 -0.10 0.00 0.00 175.22 174.43 1j5c s THR 70 N -3.23 0.09 -0.01 0.64 2.01 -1.26 -2.46 115.64 111.42 1j5c s THR 70 Ca 0.67 -0.74 -0.03 0.00 0.31 0.00 0.00 61.69 61.90 1j5c s THR 70 Cb -0.05 -0.56 -0.00 0.00 0.01 0.00 0.00 72.50 71.90 1j5c s THR 70 CO 0.45 -0.41 0.07 -0.55 -0.69 0.00 0.00 174.62 173.50 1j5c s SER 71 N -1.55 0.02 -0.17 3.53 0.15 -0.98 -4.92 113.70 109.78 1j5c s SER 71 Ca -0.12 -0.10 -0.01 0.00 0.70 0.00 0.00 55.95 56.42 1j5c s SER 71 Cb -0.06 0.16 -0.00 0.00 -1.71 0.00 0.00 66.02 64.41 1j5c s SER 71 CO 0.01 -0.19 -0.12 -0.89 1.20 0.00 0.00 173.24 173.25 1j5c s THR 72 N -0.70 2.88 -0.56 6.45 2.01 -1.26 0.11 115.64 124.56 1j5c s THR 72 Ca -0.08 -0.68 -0.14 0.00 0.31 0.00 0.00 61.69 61.09 1j5c s THR 72 Cb -0.05 -2.25 0.14 0.00 0.01 0.00 0.00 72.50 70.35 1j5c s THR 72 CO 0.00 0.49 0.50 -0.36 -0.69 0.00 0.00 174.62 174.57 1j5c s PHE 73 N 0.99 3.34 0.02 4.92 0.40 -0.66 -4.88 117.98 122.11 1j5c s PHE 73 Ca -0.02 -1.49 -0.12 0.00 -0.60 0.00 0.00 56.93 54.70 1j5c s PHE 73 Cb -0.15 -3.74 -0.33 0.00 0.51 0.00 0.00 43.02 39.31 1j5c s PHE 73 CO -0.02 -1.01 0.94 1.15 0.70 0.00 0.00 175.22 176.98 1j5c h THR 74 N 5.80 1.23 -3.49 0.64 2.02 -1.87 0.32 112.91 117.56 1j5c h THR 74 Ca -0.23 -2.72 -0.61 0.00 0.77 0.00 0.00 66.41 63.62 1j5c h THR 74 Cb 1.09 2.95 -0.12 0.00 -1.74 0.00 0.00 68.15 70.33 1j5c h THR 74 CO 0.97 0.83 -0.30 -0.70 0.37 0.00 0.00 175.52 176.70 1j5c s GLU 75 N -2.61 4.15 -0.82 6.66 2.56 -1.26 -4.41 118.70 122.98 1j5c s GLU 75 Ca -0.10 0.06 -0.25 0.00 0.00 0.00 0.00 54.97 54.68 1j5c s GLU 75 Cb 0.05 -3.53 0.00 0.00 2.00 0.00 0.00 34.13 32.66 1j5c s GLU 75 CO 0.91 0.02 1.63 -1.25 -0.56 0.00 0.00 175.26 176.01 1j5c s PRO 76 N 1.15 3.00 0.00 4.30 0.04 -1.26 -4.81 135.00 137.42 1j5c s PRO 76 Ca 0.16 -0.28 0.00 0.00 0.04 0.00 0.00 61.00 60.91 1j5c s PRO 76 Cb -0.14 -4.76 0.00 0.00 0.04 0.00 0.00 34.50 29.63 1j5c s PRO 76 CO 0.06 -2.62 0.00 0.41 0.04 0.00 0.00 177.00 174.90 1j5c n GLY 77 N 6.23 5.40 2.70 0.56 0.00 -1.26 -4.95 105.19 113.86 1j5c n GLY 77 Ca 0.24 -0.80 -0.20 0.00 0.00 0.00 0.00 46.02 45.26 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 2.38 -0.31 0.08 2.61 2.01 -1.26 -2.78 115.64 118.38 1j5c s THR 78 Ca 0.00 -0.58 -0.23 0.00 0.31 0.00 0.00 61.69 61.19 1j5c s THR 78 Cb 0.00 -0.98 -0.07 0.00 0.01 0.00 0.00 72.50 71.46 1j5c s THR 78 CO 0.00 -0.54 0.71 -0.31 -0.69 0.00 0.00 174.62 173.78 1j5c s TYR 79 N 2.27 3.80 0.08 4.92 1.51 -1.24 -4.58 117.35 124.11 1j5c s TYR 79 Ca 0.09 1.45 0.09 0.00 -1.01 0.00 0.00 57.07 57.69 1j5c s TYR 79 Cb -0.15 -2.71 -0.04 0.00 -0.11 0.00 0.00 41.96 38.96 1j5c s TYR 79 CO -0.33 0.43 -0.20 0.99 -1.11 0.00 0.00 175.55 175.32 1j5c s THR 80 N -0.64 2.69 0.02 -0.71 2.01 -1.26 -2.19 115.64 115.56 1j5c s THR 80 Ca 0.35 -1.41 -0.16 0.00 0.31 0.00 0.00 61.69 60.77 1j5c s THR 80 Cb -0.21 -2.18 0.03 0.00 0.01 0.00 0.00 72.50 70.15 1j5c s THR 80 CO 0.22 0.21 0.36 -0.72 -0.69 0.00 0.00 174.62 174.00 1j5c s TYR 81 N -1.02 -0.20 0.04 4.92 1.13 -1.26 -1.92 117.35 119.04 1j5c s TYR 81 Ca 0.16 0.19 -0.08 0.00 -1.41 0.00 0.00 57.07 55.92 1j5c s TYR 81 Cb -0.10 0.15 -0.00 0.00 -1.10 0.00 0.00 41.96 40.90 1j5c s TYR 81 CO 0.07 -0.50 0.16 1.52 -2.51 0.00 0.00 175.55 174.29 1j5c s TYR 82 N -2.13 0.11 -0.41 -3.49 1.13 -0.77 -4.68 117.35 107.11 1j5c s TYR 82 Ca -0.08 -0.38 -0.18 0.00 -1.41 0.00 0.00 57.07 55.01 1j5c s TYR 82 Cb -0.02 -0.07 0.02 0.00 -1.10 0.00 0.00 41.96 40.79 1j5c s TYR 82 CO -0.00 -0.42 0.52 0.00 -2.51 0.00 0.00 175.55 173.13 1j5c h GLU 84 N 8.71 0.00 -4.39 0.00 4.39 -1.98 -3.39 114.58 117.91 1j5c h GLU 84 Ca -0.27 0.00 -0.66 0.00 0.34 0.00 0.00 59.36 58.77 1j5c h GLU 84 Cb 1.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1j5c h GLU 84 CO 0.82 0.19 2.59 -0.35 -1.16 0.00 0.00 179.01 181.10 1j5c n PRO 85 N -4.71 2.16 -4.49 2.33 -0.04 -1.26 -4.86 135.00 124.13 1j5c n PRO 85 Ca -0.04 -2.27 -0.23 0.00 -0.04 0.00 0.00 63.50 60.91 1j5c n PRO 85 Cb 0.15 -3.14 -0.11 0.00 -0.04 0.00 0.00 33.50 30.36 1j5c n PRO 85 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1j5c s HIS 86 N 4.50 2.15 0.22 0.54 2.46 -1.26 -4.41 115.29 119.48 1j5c s HIS 86 Ca 0.53 -0.73 -0.20 0.00 0.47 0.00 0.00 55.06 55.14 1j5c s HIS 86 Cb 0.13 -1.34 0.19 0.00 -0.13 0.00 0.00 32.58 31.43 1j5c s HIS 86 CO 0.03 0.29 1.55 -0.09 -2.47 0.00 0.00 174.74 174.05 1j5c h ARG 87 N 2.09 -0.00 0.00 2.88 2.43 -1.92 -3.44 114.38 116.42 1j5c h ARG 87 Ca -0.41 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 1j5c h ARG 87 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1j5c h ARG 87 CO 0.71 -0.00 0.00 0.41 -1.51 0.00 0.00 179.97 179.58 1j5c n GLY 88 N -1.44 -0.37 0.20 2.80 0.00 -1.26 -5.12 105.19 100.01 1j5c n GLY 88 Ca 0.09 -0.07 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 0.00 1.82 0.00 4.61 0.00 -1.26 -5.18 120.51 120.50 1j5c n ALA 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1j5c n ALA 89 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.77 4.14 3.45 0.00 0.00 -1.26 -5.17 105.19 107.13 1j5c n GLY 90 Ca 0.00 -1.07 -0.22 0.00 0.00 0.00 0.00 46.02 44.73 1j5c n GLY 90 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1j5c s MET 91 N -5.02 1.61 0.52 1.61 0.23 -1.26 -4.89 119.30 112.10 1j5c s MET 91 Ca 0.00 -1.84 0.06 0.00 -1.03 0.00 0.00 55.69 52.88 1j5c s MET 91 Cb 0.00 -1.15 0.03 0.00 -1.53 0.00 0.00 34.83 32.18 1j5c s MET 91 CO 0.00 -0.01 0.39 0.14 -2.03 0.00 0.00 175.02 173.51 1j5c s VAL 92 N -3.04 1.82 0.00 5.16 -7.23 -1.26 -4.79 120.40 111.07 1j5c s VAL 92 Ca 0.31 -1.48 0.00 0.00 -1.81 0.00 0.00 61.98 59.00 1j5c s VAL 92 Cb 0.05 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.69 1j5c s VAL 92 CO 0.13 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.53 1j5c n GLY 93 N -1.71 3.93 3.32 2.32 0.00 -1.26 -3.96 105.19 107.83 1j5c n GLY 93 Ca -0.01 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 1j5c n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j5c s LYS 94 N -3.63 1.20 0.15 1.61 1.02 -0.99 -4.09 119.74 115.02 1j5c s LYS 94 Ca 0.00 -1.34 0.07 0.00 0.02 0.00 0.00 55.97 54.71 1j5c s LYS 94 Cb 0.00 0.35 -0.04 0.00 -0.52 0.00 0.00 37.83 37.62 1j5c s LYS 94 CO 0.00 -0.43 -0.01 0.08 -0.92 0.00 0.00 175.35 174.07 1j5c s VAL 95 N -4.04 3.74 -0.08 3.17 1.01 -0.93 -3.65 120.40 119.63 1j5c s VAL 95 Ca 0.25 -1.33 -0.01 0.00 0.00 0.00 0.00 61.98 60.88 1j5c s VAL 95 Cb 0.04 -2.85 0.03 0.00 0.00 0.00 0.00 36.38 33.60 1j5c s VAL 95 CO 0.05 -0.05 0.01 -0.69 0.00 0.00 0.00 175.10 174.42 1j5c s VAL 96 N -1.61 0.35 -0.10 2.92 1.01 -0.96 -3.65 120.40 118.37 1j5c s VAL 96 Ca 0.27 0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.32 1j5c s VAL 96 Cb -0.10 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 1j5c s VAL 96 CO 0.18 0.23 0.01 -0.69 0.00 0.00 0.00 175.10 174.83 1j5c s VAL 97 N 1.98 4.35 -2.00 2.92 1.01 -1.12 -0.16 120.40 127.39 1j5c s VAL 97 Ca 0.05 -0.22 0.31 0.00 0.00 0.00 0.00 61.98 62.11 1j5c s VAL 97 Cb -0.12 -2.85 0.89 0.00 0.00 0.00 0.00 36.38 34.29 1j5c s VAL 97 CO -0.05 0.58 2.18 -0.67 0.00 0.00 0.00 175.10 177.15