#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 0.40 -0.44 0.00 2.20 -1.26 -4.69 114.94 111.15 1j5c s ASN 2 Ca 0.00 -1.33 -0.12 0.00 -0.94 0.00 0.00 52.86 50.48 1j5c s ASN 2 Cb 0.00 0.50 0.08 0.00 -2.00 0.00 0.00 41.25 39.83 1j5c s ASN 2 CO 0.00 -1.02 0.31 0.00 -2.94 0.00 0.00 177.10 173.45 1j5c s ALA 3 N -3.85 3.40 0.27 3.54 0.00 -0.65 -4.96 121.76 119.51 1j5c s ALA 3 Ca 0.33 -2.15 0.08 0.00 0.00 0.00 0.00 51.96 50.22 1j5c s ALA 3 Cb 0.03 -2.82 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 1j5c s ALA 3 CO 0.15 -1.69 0.13 -0.08 0.00 0.00 0.00 175.76 174.27 1j5c s THR 4 N 1.50 3.99 0.13 0.00 -1.32 -1.26 -2.41 115.64 116.28 1j5c s THR 4 Ca 0.03 -1.58 -0.07 0.00 -1.21 0.00 0.00 61.69 58.86 1j5c s THR 4 Cb -0.24 -3.18 -0.02 0.00 -1.51 0.00 0.00 72.50 67.55 1j5c s THR 4 CO 0.04 -0.34 0.19 -0.69 -2.21 0.00 0.00 174.62 171.61 1j5c s VAL 5 N -2.22 0.10 -0.21 5.08 1.01 -0.63 -4.91 120.40 118.62 1j5c s VAL 5 Ca 0.33 -1.47 -0.07 0.00 0.00 0.00 0.00 61.98 60.76 1j5c s VAL 5 Cb -0.07 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1j5c s VAL 5 CO 0.23 -0.46 0.07 -0.54 0.00 0.00 0.00 175.10 174.40 1j5c s LYS 6 N -3.96 3.84 0.00 2.72 1.02 -1.23 -2.96 119.74 119.16 1j5c s LYS 6 Ca 0.15 -0.40 0.00 0.00 0.02 0.00 0.00 55.97 55.74 1j5c s LYS 6 Cb 0.05 -3.26 0.00 0.00 -0.52 0.00 0.00 37.83 34.10 1j5c s LYS 6 CO -0.03 0.08 0.19 -1.33 -0.92 0.00 0.00 175.35 173.34 1j5c n MET 7 N 4.13 0.00 -1.43 1.68 2.81 -1.06 -2.47 117.12 120.78 1j5c n MET 7 Ca -0.16 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.43 1j5c n MET 7 Cb 0.52 -0.68 0.12 0.00 -0.71 0.00 0.00 33.22 32.48 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 -0.02 1.60 0.11 3.03 0.00 -1.26 -3.92 107.32 106.86 1j5c s GLY 8 Ca 0.00 -0.29 0.06 0.00 0.00 0.00 0.00 44.72 44.49 1j5c s GLY 8 CO 0.00 0.21 -0.01 -0.56 0.00 0.00 0.00 173.10 172.74 1j5c s SER 9 N -3.78 4.87 0.23 1.64 0.01 -1.25 -4.75 113.70 110.66 1j5c s SER 9 Ca 0.63 -0.26 -0.13 0.00 1.31 0.00 0.00 55.95 57.49 1j5c s SER 9 Cb -0.16 -1.10 0.30 0.00 0.21 0.00 0.00 66.02 65.27 1j5c s SER 9 CO 0.55 0.15 1.59 -0.78 0.41 0.00 0.00 173.24 175.16 1j5c h ASP 10 N 3.27 -0.88 -0.42 2.44 3.58 -1.97 0.50 116.42 122.94 1j5c h ASP 10 Ca -0.48 0.25 0.02 0.00 0.42 0.00 0.00 57.03 57.24 1j5c h ASP 10 Cb 1.17 0.54 -0.03 0.00 1.72 0.00 0.00 39.33 42.73 1j5c h ASP 10 CO 0.58 -0.27 0.25 0.28 -2.88 0.00 0.00 179.24 177.19 1j5c h SER 11 N -0.03 0.40 0.00 2.28 0.02 -2.03 -3.47 113.55 110.72 1j5c h SER 11 Ca 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 1j5c h SER 11 Cb 0.58 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1j5c h SER 11 CO -0.82 0.29 0.00 0.61 -1.14 0.00 0.00 176.83 175.77 1j5c n GLY 12 N -1.22 0.52 3.84 -3.77 0.00 0.17 -5.16 105.19 99.58 1j5c n GLY 12 Ca 0.01 -0.81 -0.25 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.57 4.10 -0.78 4.61 0.00 -1.26 -4.91 121.76 122.95 1j5c s ALA 13 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.43 1j5c s ALA 13 Cb 0.00 -0.61 0.36 0.00 0.00 0.00 0.00 23.12 22.87 1j5c s ALA 13 CO 0.00 -0.29 1.70 1.28 0.00 0.00 0.00 175.76 178.45 1j5c n LEU 14 N -1.54 6.64 -3.82 0.00 4.32 -1.26 -3.95 117.00 117.40 1j5c n LEU 14 Ca -0.02 -5.10 -0.12 0.00 -0.02 0.00 0.00 56.01 50.74 1j5c n LEU 14 Cb 0.64 -0.92 -0.11 0.00 -1.62 0.00 0.00 43.42 41.42 1j5c n LEU 14 CO 0.41 1.97 -0.13 0.68 -1.22 0.00 0.00 177.39 179.11 1j5c s VAL 15 N -4.98 0.04 0.33 4.08 -7.23 -1.25 -3.87 120.40 107.51 1j5c s VAL 15 Ca 0.48 -0.30 -0.26 0.00 -1.81 0.00 0.00 61.98 60.10 1j5c s VAL 15 Cb 0.37 -0.39 -0.10 0.00 0.56 0.00 0.00 36.38 36.83 1j5c s VAL 15 CO -0.29 -0.16 0.97 -0.36 -0.31 0.00 0.00 175.10 174.95 1j5c s PHE 16 N -0.58 3.62 -0.26 2.82 0.08 -1.25 -4.38 117.98 118.03 1j5c s PHE 16 Ca -0.07 1.76 -0.04 0.00 0.12 0.00 0.00 56.93 58.71 1j5c s PHE 16 Cb -0.04 -2.98 0.09 0.00 -0.57 0.00 0.00 43.02 39.52 1j5c s PHE 16 CO 0.01 0.03 0.11 -1.21 -0.10 0.00 0.00 175.22 174.06 1j5c s GLU 17 N -2.06 0.28 1.13 0.44 0.41 -1.03 -2.46 118.70 115.40 1j5c s GLU 17 Ca 0.51 -0.51 -0.19 0.00 -0.41 0.00 0.00 54.97 54.37 1j5c s GLU 17 Cb -0.20 -1.49 0.27 0.00 -1.78 0.00 0.00 34.13 30.93 1j5c s GLU 17 CO 0.26 -0.92 1.24 -0.35 -0.49 0.00 0.00 175.26 175.00 1j5c n PRO 18 N 5.18 -2.26 -0.06 0.39 -0.04 -1.26 -3.58 135.00 133.37 1j5c n PRO 18 Ca -0.06 -1.94 -0.03 0.00 -0.04 0.00 0.00 63.50 61.43 1j5c n PRO 18 Cb 0.44 -1.53 -0.14 0.00 -0.04 0.00 0.00 33.50 32.23 1j5c n PRO 18 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1j5c n SER 19 N -4.39 0.74 -4.05 3.54 3.41 -1.03 -4.54 113.62 107.29 1j5c n SER 19 Ca 0.16 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.49 1j5c n SER 19 Cb 0.59 1.21 -0.17 0.00 -0.26 0.00 0.00 64.21 65.59 1j5c n SER 19 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1j5c s THR 20 N -2.69 1.47 -0.00 6.66 2.01 -1.25 -0.85 115.64 120.98 1j5c s THR 20 Ca -0.08 -0.63 0.03 0.00 0.31 0.00 0.00 61.69 61.32 1j5c s THR 20 Cb 0.07 -1.35 -0.01 0.00 0.01 0.00 0.00 72.50 71.22 1j5c s THR 20 CO 0.73 0.44 -0.10 0.68 -0.69 0.00 0.00 174.62 175.68 1j5c s VAL 21 N 0.99 0.76 0.20 3.82 -7.23 -1.25 -5.07 120.40 112.62 1j5c s VAL 21 Ca -0.07 -0.44 -0.17 0.00 -1.81 0.00 0.00 61.98 59.49 1j5c s VAL 21 Cb -0.15 -0.64 -0.08 0.00 0.56 0.00 0.00 36.38 36.07 1j5c s VAL 21 CO -0.02 0.19 0.65 0.42 -0.31 0.00 0.00 175.10 176.04 1j5c s THR 22 N -0.27 4.70 0.05 5.32 -4.23 -1.26 -3.32 115.64 116.63 1j5c s THR 22 Ca 0.03 1.07 -0.08 0.00 -1.18 0.00 0.00 61.69 61.54 1j5c s THR 22 Cb -0.04 -3.79 -0.00 0.00 1.34 0.00 0.00 72.50 70.01 1j5c s THR 22 CO -0.00 0.20 0.15 -0.51 -0.54 0.00 0.00 174.62 173.92 1j5c s ILE 23 N -1.53 0.13 0.65 2.99 2.07 -1.11 -4.73 121.20 119.68 1j5c s ILE 23 Ca 0.42 -1.07 -0.08 0.00 -1.41 0.00 0.00 60.65 58.50 1j5c s ILE 23 Cb -0.16 -1.05 0.02 0.00 0.13 0.00 0.00 42.46 41.41 1j5c s ILE 23 CO 0.20 -0.59 0.99 -0.54 -1.91 0.00 0.00 174.94 173.09 1j5c s LYS 24 N -2.98 2.76 -1.22 3.50 -0.14 -1.26 0.21 119.74 120.60 1j5c s LYS 24 Ca -0.02 0.11 -0.17 0.00 -1.36 0.00 0.00 55.97 54.53 1j5c s LYS 24 Cb 0.01 -2.17 0.11 0.00 -1.68 0.00 0.00 37.83 34.10 1j5c s LYS 24 CO -0.06 -0.91 1.56 0.00 -0.76 0.00 0.00 175.35 175.18 1j5c s ALA 25 N -3.16 3.55 0.00 5.17 0.00 -0.79 -3.10 121.76 123.43 1j5c s ALA 25 Ca 0.56 -3.04 0.00 0.00 0.00 0.00 0.00 51.96 49.49 1j5c s ALA 25 Cb -0.11 -4.40 0.00 0.00 0.00 0.00 0.00 23.12 18.61 1j5c s ALA 25 CO 0.47 -3.10 0.00 0.41 0.00 0.00 0.00 175.76 173.55 1j5c n GLY 26 N 5.01 0.62 3.11 0.00 0.00 0.62 -4.83 105.19 109.72 1j5c n GLY 26 Ca 0.41 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.23 -4.65 1.61 -0.58 -1.18 -4.52 120.64 109.09 1j5c n GLU 27 Ca 0.00 -1.59 -0.30 0.00 -0.42 0.00 0.00 57.16 54.85 1j5c n GLU 27 Cb 0.00 -1.32 -0.08 0.00 -0.57 0.00 0.00 31.44 29.47 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 -5.26 2.09 -0.00 3.49 1.03 -1.26 0.98 118.70 119.78 1j5c s GLU 28 Ca 0.62 -2.32 0.03 0.00 0.03 0.00 0.00 54.97 53.33 1j5c s GLU 28 Cb -0.04 -1.08 -0.01 0.00 -0.80 0.00 0.00 34.13 32.20 1j5c s GLU 28 CO 0.46 -0.44 -0.08 0.08 -1.33 0.00 0.00 175.26 173.95 1j5c s VAL 29 N -3.03 0.66 -0.17 1.83 1.01 0.29 -1.63 120.40 119.35 1j5c s VAL 29 Ca 0.13 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 1j5c s VAL 29 Cb 0.02 -0.57 -0.00 0.00 0.00 0.00 0.00 36.38 35.82 1j5c s VAL 29 CO 0.08 0.14 -0.12 -0.75 0.00 0.00 0.00 175.10 174.45 1j5c s LYS 30 N -0.32 3.28 -0.41 2.72 2.47 -1.01 -1.62 119.74 124.85 1j5c s LYS 30 Ca 0.02 -0.70 -0.06 0.00 -1.56 0.00 0.00 55.97 53.67 1j5c s LYS 30 Cb -0.04 -2.74 0.10 0.00 -1.46 0.00 0.00 37.83 33.69 1j5c s LYS 30 CO -0.00 -0.02 0.22 -1.58 0.16 0.00 0.00 175.35 174.13 1j5c s TRP 31 N 0.95 3.45 0.04 4.03 0.51 -1.01 -1.60 118.94 125.31 1j5c s TRP 31 Ca -0.02 -2.00 -0.22 0.00 -2.12 0.00 0.00 56.10 51.74 1j5c s TRP 31 Cb -0.15 -3.07 -0.06 0.00 -0.81 0.00 0.00 33.47 29.39 1j5c s TRP 31 CO -0.01 -0.92 0.64 0.08 -0.51 0.00 0.00 176.95 176.23 1j5c s VAL 32 N 1.28 4.79 -0.64 4.03 1.01 -1.16 -2.67 120.40 127.04 1j5c s VAL 32 Ca 0.05 1.36 -0.23 0.00 0.00 0.00 0.00 61.98 63.16 1j5c s VAL 32 Cb -0.23 -3.98 0.06 0.00 0.00 0.00 0.00 36.38 32.23 1j5c s VAL 32 CO -0.01 0.44 0.98 0.21 0.00 0.00 0.00 175.10 176.72 1j5c s ASN 33 N -0.41 6.21 -0.02 3.32 2.47 -1.26 -2.57 114.94 122.67 1j5c s ASN 33 Ca 0.33 -0.80 -0.11 0.00 0.42 0.00 0.00 52.86 52.70 1j5c s ASN 33 Cb -0.19 -2.43 -0.06 0.00 -1.45 0.00 0.00 41.25 37.11 1j5c s ASN 33 CO 0.20 -1.43 0.58 -1.13 -3.72 0.00 0.00 177.10 171.60 1j5c h ASN 34 N 9.55 -0.32 -0.84 -4.21 -1.24 -1.93 -3.39 115.58 113.19 1j5c h ASN 34 Ca -0.28 0.01 0.01 0.00 0.71 0.00 0.00 56.30 56.74 1j5c h ASN 34 Cb 1.07 0.08 -0.00 0.00 0.73 0.00 0.00 38.32 40.20 1j5c h ASN 34 CO 1.17 -0.04 0.03 0.29 -1.29 0.00 0.00 177.43 177.59 1j5c n LYS 35 N -4.09 0.05 -2.54 6.67 4.76 -1.26 -4.91 118.16 116.84 1j5c n LYS 35 Ca -0.05 -0.10 -0.04 0.00 -2.87 0.00 0.00 58.31 55.25 1j5c n LYS 35 Cb 0.15 0.13 0.02 0.00 -1.84 0.00 0.00 35.03 33.49 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 -4.68 -4.95 -0.35 4.32 -1.26 -4.12 117.00 105.96 1j5c n LEU 36 Ca -0.00 -0.23 -0.23 0.00 -0.02 0.00 0.00 56.01 55.53 1j5c n LEU 36 Cb 0.03 -2.34 -0.01 0.00 -1.62 0.00 0.00 43.42 39.48 1j5c n LEU 36 CO 0.01 -0.35 0.12 -0.94 -1.22 0.00 0.00 177.39 175.01 1j5c s SER 37 N -2.92 6.27 1.04 -1.43 1.04 -1.26 -4.47 113.70 111.98 1j5c s SER 37 Ca 0.13 0.32 -0.06 0.00 0.48 0.00 0.00 55.95 56.83 1j5c s SER 37 Cb -0.02 -1.94 0.08 0.00 0.10 0.00 0.00 66.02 64.24 1j5c s SER 37 CO 0.47 -0.25 0.37 -0.81 0.98 0.00 0.00 173.24 173.99 1j5c n PRO 38 N -1.69 -1.00 -3.90 4.02 -0.04 -1.26 -4.98 135.00 126.15 1j5c n PRO 38 Ca -0.06 -0.58 -0.10 0.00 -0.04 0.00 0.00 63.50 62.73 1j5c n PRO 38 Cb 0.57 -0.45 -0.09 0.00 -0.04 0.00 0.00 33.50 33.48 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 -1.75 0.16 -0.30 0.54 3.76 -0.57 -4.86 115.29 112.28 1j5c s HIS 39 Ca 0.22 -0.46 -0.04 0.00 -0.15 0.00 0.00 55.06 54.63 1j5c s HIS 39 Cb -0.01 -0.10 0.19 0.00 1.11 0.00 0.00 32.58 33.76 1j5c s HIS 39 CO 0.16 -0.41 0.83 0.54 -0.85 0.00 0.00 174.74 175.01 1j5c s ASN 40 N -2.24 -0.98 -1.04 1.40 2.20 -1.26 -2.20 114.94 110.82 1j5c s ASN 40 Ca -0.03 0.26 -0.18 0.00 -0.94 0.00 0.00 52.86 51.96 1j5c s ASN 40 Cb 0.00 1.68 0.13 0.00 -2.00 0.00 0.00 41.25 41.06 1j5c s ASN 40 CO -0.05 -0.18 1.29 -0.63 -2.94 0.00 0.00 177.10 174.58 1j5c s ILE 41 N 2.90 4.66 -0.02 0.54 1.01 -1.26 -4.01 121.20 125.02 1j5c s ILE 41 Ca 0.16 -1.77 -0.25 0.00 0.00 0.00 0.00 60.65 58.78 1j5c s ILE 41 Cb -0.08 -4.88 -0.04 0.00 0.01 0.00 0.00 42.46 37.47 1j5c s ILE 41 CO -0.22 -1.63 0.79 -0.69 0.00 0.00 0.00 174.94 173.19 1j5c s VAL 42 N 2.80 4.90 -0.21 2.92 1.01 -1.26 -0.60 120.40 129.97 1j5c s VAL 42 Ca 0.38 1.65 -0.06 0.00 0.00 0.00 0.00 61.98 63.95 1j5c s VAL 42 Cb -0.03 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 1j5c s VAL 42 CO -0.06 0.26 0.03 -0.36 0.00 0.00 0.00 175.10 174.98 1j5c s PHE 43 N 0.58 3.09 0.63 5.22 0.40 -1.26 -1.35 117.98 125.30 1j5c s PHE 43 Ca 0.41 -0.33 -0.12 0.00 -0.60 0.00 0.00 56.93 56.29 1j5c s PHE 43 Cb -0.19 -2.12 -0.03 0.00 0.51 0.00 0.00 43.02 41.19 1j5c s PHE 43 CO 0.22 -0.18 1.04 0.00 0.70 0.00 0.00 175.22 177.00 1j5c s ALA 44 N 1.02 2.88 -0.87 5.36 0.00 -0.49 -4.62 121.76 125.03 1j5c s ALA 44 Ca 0.03 0.09 -0.00 0.00 0.00 0.00 0.00 51.96 52.07 1j5c s ALA 44 Cb -0.14 -3.14 0.25 0.00 0.00 0.00 0.00 23.12 20.08 1j5c s ALA 44 CO 0.02 -0.85 0.92 0.00 0.00 0.00 0.00 175.76 175.85 1j5c n ALA 45 N -2.63 4.15 -0.54 0.00 0.00 -1.26 -4.60 120.51 115.62 1j5c n ALA 45 Ca 0.07 -4.69 0.00 0.00 0.00 0.00 0.00 53.44 48.82 1j5c n ALA 45 Cb 0.54 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.37 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 1.72 0.00 -0.81 0.00 9.92 -1.26 -4.61 116.55 121.50 1j5c n ASP 46 Ca 0.25 0.02 0.05 0.00 -0.53 0.00 0.00 54.79 54.58 1j5c n ASP 46 Cb 0.37 -0.23 0.17 0.00 -0.64 0.00 0.00 41.12 40.79 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 2.07 1.14 3.33 0.44 0.00 -1.26 -4.86 105.19 106.04 1j5c n GLY 47 Ca 0.00 -0.40 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.62 0.88 0.96 1.61 1.01 -1.26 -4.84 120.40 117.13 1j5c s VAL 48 Ca 0.25 -2.01 -0.12 0.00 0.00 0.00 0.00 61.98 60.09 1j5c s VAL 48 Cb 0.15 -2.45 0.16 0.00 0.00 0.00 0.00 36.38 34.24 1j5c s VAL 48 CO 0.14 -0.21 1.09 -1.81 0.00 0.00 0.00 175.10 174.30 1j5c s ASP 49 N -3.31 2.93 -0.08 3.32 1.01 -1.26 -4.74 116.67 114.53 1j5c s ASP 49 Ca 0.31 1.44 -0.17 0.00 0.71 0.00 0.00 52.55 54.85 1j5c s ASP 49 Cb 0.07 -2.12 -0.13 0.00 1.01 0.00 0.00 42.92 41.75 1j5c s ASP 49 CO 0.10 -2.97 0.62 0.00 0.21 0.00 0.00 175.17 173.13 1j5c h ALA 50 N -1.78 -0.17 0.34 5.23 0.00 -1.97 -2.22 119.26 118.68 1j5c h ALA 50 Ca -0.52 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.18 1j5c h ALA 50 Cb 1.30 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1j5c h ALA 50 CO 0.54 -0.21 -0.43 -0.44 0.00 0.00 0.00 179.25 178.72 1j5c h ASP 51 N -0.95 -1.20 -0.64 0.00 5.19 -1.98 0.68 116.42 117.52 1j5c h ASP 51 Ca -0.02 0.10 0.12 0.00 -0.62 0.00 0.00 57.03 56.62 1j5c h ASP 51 Cb 0.47 0.41 -0.12 0.00 0.18 0.00 0.00 39.33 40.27 1j5c h ASP 51 CO 0.03 -0.53 -0.25 0.74 -3.12 0.00 0.00 179.24 176.10 1j5c h THR 52 N -0.78 0.24 -0.04 0.35 2.02 -1.97 1.21 112.91 113.94 1j5c h THR 52 Ca -0.04 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1j5c h THR 52 Cb 0.70 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1j5c h THR 52 CO -0.10 0.00 -0.01 0.00 0.37 0.00 0.00 175.52 175.78 1j5c h ALA 53 N 1.35 1.91 0.97 6.16 0.00 -0.94 0.32 119.26 129.02 1j5c h ALA 53 Ca 0.28 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1j5c h ALA 53 Cb 0.53 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1j5c h ALA 53 CO -0.70 0.07 -0.46 0.00 0.00 0.00 0.00 179.25 178.16 1j5c h ALA 54 N 1.94 -1.30 -0.57 0.00 0.00 0.76 1.47 119.26 121.57 1j5c h ALA 54 Ca 0.01 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.68 1j5c h ALA 54 Cb 0.06 0.50 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1j5c h ALA 54 CO 0.00 -1.22 0.32 0.87 0.00 0.00 0.00 179.25 179.22 1j5c h LYS 55 N -1.32 0.60 0.00 0.00 1.57 -0.74 0.74 116.57 117.42 1j5c h LYS 55 Ca -0.13 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.57 1j5c h LYS 55 Cb 1.00 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 1j5c h LYS 55 CO 0.22 0.40 -0.18 -0.07 -0.57 0.00 0.00 179.45 179.24 1j5c h LEU 56 N 0.62 0.00 -9.43 2.94 4.07 -0.78 -3.42 115.31 109.31 1j5c h LEU 56 Ca 0.24 0.00 -0.54 0.00 0.08 0.00 0.00 57.88 57.66 1j5c h LEU 56 Cb 0.09 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 1j5c h LEU 56 CO -0.13 0.18 0.57 -0.55 -1.08 0.00 0.00 178.44 177.43 1j5c s SER 57 N -6.64 7.11 -0.66 -0.43 0.15 0.50 -4.64 113.70 109.10 1j5c s SER 57 Ca -0.03 1.91 -0.27 0.00 0.70 0.00 0.00 55.95 58.26 1j5c s SER 57 Cb 0.14 -2.57 0.02 0.00 -1.71 0.00 0.00 66.02 61.90 1j5c s SER 57 CO 0.65 -0.47 1.38 -1.00 1.20 0.00 0.00 173.24 175.00 1j5c s HIS 58 N 1.35 2.24 -0.50 3.44 3.76 0.24 -4.83 115.29 120.98 1j5c s HIS 58 Ca 0.57 0.25 0.03 0.00 -0.15 0.00 0.00 55.06 55.76 1j5c s HIS 58 Cb -0.27 -4.48 0.58 0.00 1.11 0.00 0.00 32.58 29.52 1j5c s HIS 58 CO 0.27 -2.02 1.90 1.63 -0.85 0.00 0.00 174.74 175.68 1j5c n LYS 59 N 9.05 2.39 0.00 1.40 5.02 -1.26 -4.30 118.16 130.46 1j5c n LYS 59 Ca 0.08 -3.14 0.00 0.00 -2.02 0.00 0.00 58.31 53.23 1j5c n LYS 59 Cb 0.49 -2.19 0.00 0.00 -0.02 0.00 0.00 35.03 33.32 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 -1.06 7.41 2.92 0.72 0.00 -1.26 -5.16 105.19 108.76 1j5c n GLY 60 Ca 0.58 -1.98 -0.14 0.00 0.00 0.00 0.00 46.02 44.49 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 0.67 -0.25 0.99 1.02 -1.26 -4.76 118.68 115.09 1j5c s LEU 61 Ca 0.00 0.31 -0.05 0.00 0.02 0.00 0.00 54.13 54.41 1j5c s LEU 61 Cb 0.00 0.37 -0.00 0.00 0.02 0.00 0.00 46.19 46.58 1j5c s LEU 61 CO 0.00 -0.15 0.01 0.00 0.02 0.00 0.00 176.35 176.22 1j5c s ALA 62 N 1.23 2.92 0.00 4.21 0.00 -0.93 -4.89 121.76 124.30 1j5c s ALA 62 Ca -0.09 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.58 1j5c s ALA 62 Cb -0.12 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.11 1j5c s ALA 62 CO -0.06 -0.65 0.00 1.97 0.00 0.00 0.00 175.76 177.02 1j5c n PHE 63 N 4.82 0.00 -2.41 0.00 -1.74 -1.26 -1.51 117.46 115.36 1j5c n PHE 63 Ca -0.17 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.30 1j5c n PHE 63 Cb 0.49 0.18 -0.02 0.00 1.52 0.00 0.00 39.48 41.65 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 -1.66 3.57 -1.07 1.98 0.00 -1.26 -4.89 121.76 118.43 1j5c s ALA 64 Ca 0.00 0.36 -0.25 0.00 0.00 0.00 0.00 51.96 52.07 1j5c s ALA 64 Cb 0.00 -3.67 -0.16 0.00 0.00 0.00 0.00 23.12 19.29 1j5c s ALA 64 CO 0.00 -1.36 2.08 0.00 0.00 0.00 0.00 175.76 176.48 1j5c s ALA 65 N 3.80 0.99 0.00 0.00 0.00 -1.26 -1.56 121.76 123.72 1j5c s ALA 65 Ca 0.56 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.91 1j5c s ALA 65 Cb -0.20 -4.67 0.00 0.00 0.00 0.00 0.00 23.12 18.25 1j5c s ALA 65 CO 0.17 -6.14 0.00 0.41 0.00 0.00 0.00 175.76 170.20 1j5c n GLY 66 N 6.17 0.30 3.63 0.00 0.00 -1.26 -5.08 105.19 108.95 1j5c n GLY 66 Ca 0.43 -0.00 -0.43 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 0.00 4.03 0.14 1.61 2.02 -0.60 -4.94 118.70 120.96 1j5c s GLU 67 Ca 0.00 0.92 0.09 0.00 0.02 0.00 0.00 54.97 56.00 1j5c s GLU 67 Cb 0.00 -3.73 -0.04 0.00 0.10 0.00 0.00 34.13 30.46 1j5c s GLU 67 CO 0.00 -0.83 -0.22 -1.54 0.02 0.00 0.00 175.26 172.69 1j5c s SER 68 N 1.63 2.85 0.53 -0.19 1.04 -1.26 -4.24 113.70 114.06 1j5c s SER 68 Ca 0.41 -0.78 0.06 0.00 0.48 0.00 0.00 55.95 56.13 1j5c s SER 68 Cb -0.13 -0.18 0.05 0.00 0.10 0.00 0.00 66.02 65.87 1j5c s SER 68 CO 0.14 0.06 0.73 -0.36 0.98 0.00 0.00 173.24 174.79 1j5c s PHE 69 N -1.48 2.28 -0.03 5.02 0.08 -1.09 -4.93 117.98 117.83 1j5c s PHE 69 Ca 0.13 -0.39 -0.09 0.00 0.12 0.00 0.00 56.93 56.69 1j5c s PHE 69 Cb -0.08 -2.49 0.01 0.00 -0.57 0.00 0.00 43.02 39.89 1j5c s PHE 69 CO 0.06 -0.88 0.20 0.99 -0.10 0.00 0.00 175.22 175.49 1j5c s THR 70 N -2.62 0.05 -0.05 0.64 2.01 -1.26 -2.40 115.64 112.01 1j5c s THR 70 Ca 0.59 -0.41 -0.07 0.00 0.31 0.00 0.00 61.69 62.11 1j5c s THR 70 Cb -0.08 -0.42 0.01 0.00 0.01 0.00 0.00 72.50 72.02 1j5c s THR 70 CO 0.37 -0.22 0.18 -0.94 -0.69 0.00 0.00 174.62 173.31 1j5c s SER 71 N -0.84 -0.14 -0.15 3.53 1.04 -0.64 -4.95 113.70 111.55 1j5c s SER 71 Ca -0.09 0.22 -0.10 0.00 0.48 0.00 0.00 55.95 56.46 1j5c s SER 71 Cb -0.05 0.33 -0.05 0.00 0.10 0.00 0.00 66.02 66.36 1j5c s SER 71 CO 0.02 -0.15 0.17 -0.89 0.98 0.00 0.00 173.24 173.37 1j5c s THR 72 N -0.30 5.41 -0.54 2.02 2.01 -1.26 0.10 115.64 123.08 1j5c s THR 72 Ca -0.04 0.29 -0.10 0.00 0.31 0.00 0.00 61.69 62.15 1j5c s THR 72 Cb -0.03 -3.48 0.14 0.00 0.01 0.00 0.00 72.50 69.13 1j5c s THR 72 CO 0.01 0.50 0.43 -0.36 -0.69 0.00 0.00 174.62 174.51 1j5c s PHE 73 N -0.20 3.44 -0.24 4.92 0.40 0.28 -4.88 117.98 121.71 1j5c s PHE 73 Ca 0.13 -1.89 -0.14 0.00 -0.60 0.00 0.00 56.93 54.43 1j5c s PHE 73 Cb -0.12 -3.55 -0.17 0.00 0.51 0.00 0.00 43.02 39.69 1j5c s PHE 73 CO 0.02 -0.98 -0.07 2.41 0.70 0.00 0.00 175.22 177.30 1j5c n THR 74 N 4.71 1.56 -2.30 0.64 -1.04 -1.26 0.23 114.28 116.81 1j5c n THR 74 Ca -0.05 -0.32 -0.43 0.00 -2.04 0.00 0.00 64.05 61.21 1j5c n THR 74 Cb 0.41 -1.86 -0.02 0.00 -1.82 0.00 0.00 70.33 67.04 1j5c n THR 74 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1j5c s GLU 75 N -2.47 4.18 -1.19 -2.82 2.12 -1.26 -4.43 118.70 112.83 1j5c s GLU 75 Ca -0.33 1.77 -0.09 0.00 0.36 0.00 0.00 54.97 56.68 1j5c s GLU 75 Cb 0.10 -3.84 -0.07 0.00 0.26 0.00 0.00 34.13 30.58 1j5c s GLU 75 CO 0.57 -0.80 2.41 -0.35 -0.54 0.00 0.00 175.26 176.55 1j5c n PRO 76 N 6.85 2.67 0.00 4.30 -0.04 -1.26 -4.70 135.00 142.82 1j5c n PRO 76 Ca 0.15 -1.82 0.00 0.00 -0.04 0.00 0.00 63.50 61.79 1j5c n PRO 76 Cb 0.44 -2.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 1j5c n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j5c n GLY 77 N 3.77 5.19 2.72 0.55 0.00 -1.26 -4.84 105.19 111.32 1j5c n GLY 77 Ca 0.58 -1.61 -0.24 0.00 0.00 0.00 0.00 46.02 44.75 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 2.85 0.23 0.15 2.61 2.01 -1.26 0.27 115.64 122.50 1j5c s THR 78 Ca 0.00 -0.01 -0.04 0.00 0.31 0.00 0.00 61.69 61.95 1j5c s THR 78 Cb 0.00 -0.57 -0.05 0.00 0.01 0.00 0.00 72.50 71.89 1j5c s THR 78 CO 0.00 0.05 0.37 -0.31 -0.69 0.00 0.00 174.62 174.05 1j5c s TYR 79 N 2.02 3.48 0.04 4.92 1.51 -0.98 -4.75 117.35 123.58 1j5c s TYR 79 Ca 0.03 0.51 0.02 0.00 -1.01 0.00 0.00 57.07 56.63 1j5c s TYR 79 Cb -0.14 -1.97 -0.02 0.00 -0.11 0.00 0.00 41.96 39.71 1j5c s TYR 79 CO -0.06 0.43 -0.08 0.99 -1.11 0.00 0.00 175.55 175.72 1j5c s THR 80 N -1.69 0.54 0.21 -0.71 2.01 -1.26 -1.83 115.64 112.91 1j5c s THR 80 Ca 0.40 -1.09 -0.11 0.00 0.31 0.00 0.00 61.69 61.20 1j5c s THR 80 Cb -0.12 -0.62 -0.00 0.00 0.01 0.00 0.00 72.50 71.77 1j5c s THR 80 CO 0.26 -0.39 0.39 -0.72 -0.69 0.00 0.00 174.62 173.47 1j5c s TYR 81 N -1.40 0.37 -0.29 4.92 -0.85 -1.25 -1.40 117.35 117.44 1j5c s TYR 81 Ca -0.10 -0.72 -0.16 0.00 -0.52 0.00 0.00 57.07 55.58 1j5c s TYR 81 Cb -0.10 0.08 0.16 0.00 0.38 0.00 0.00 41.96 42.48 1j5c s TYR 81 CO 0.00 -0.87 1.01 1.52 -1.52 0.00 0.00 175.55 175.70 1j5c s TYR 82 N -3.99 -0.54 -0.41 -3.49 1.13 -0.45 -4.59 117.35 105.01 1j5c s TYR 82 Ca 0.20 1.03 -0.27 0.00 -1.41 0.00 0.00 57.07 56.63 1j5c s TYR 82 Cb 0.01 0.32 -0.06 0.00 -1.10 0.00 0.00 41.96 41.13 1j5c s TYR 82 CO 0.05 -0.27 2.32 0.00 -2.51 0.00 0.00 175.55 175.15 1j5c h GLU 84 N 17.98 -0.59 0.12 0.00 4.39 -1.94 -3.35 114.58 131.19 1j5c h GLU 84 Ca -0.29 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.44 1j5c h GLU 84 Cb 1.25 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 1j5c h GLU 84 CO 1.10 -0.39 -0.06 -1.00 -1.16 0.00 0.00 179.01 177.51 1j5c h PRO 85 N -0.63 -0.15 0.00 2.33 0.13 -1.92 -3.49 132.00 128.27 1j5c h PRO 85 Ca -0.06 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1j5c h PRO 85 Cb 0.48 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.64 1j5c h PRO 85 CO 0.10 -0.10 0.00 1.58 -0.23 0.00 0.00 178.00 179.35 1j5c n HIS 86 N -3.40 -1.26 -2.70 1.56 -0.00 -1.26 -4.69 115.22 103.48 1j5c n HIS 86 Ca -0.02 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.08 1j5c n HIS 86 Cb 0.06 0.12 0.08 0.00 -0.12 0.00 0.00 29.99 30.13 1j5c n HIS 86 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1j5c n ARG 87 N -0.71 1.16 0.00 1.57 5.12 -1.26 -4.99 116.66 117.55 1j5c n ARG 87 Ca 0.00 -2.45 0.00 0.00 -1.93 0.00 0.00 57.85 53.47 1j5c n ARG 87 Cb 0.00 -0.61 0.00 0.00 -1.16 0.00 0.00 32.46 30.69 1j5c n ARG 87 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1j5c n GLY 88 N -0.32 -1.60 0.00 -0.13 0.00 -1.26 -5.13 105.19 96.75 1j5c n GLY 88 Ca 0.03 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 -2.44 0.00 -0.61 4.61 0.00 -1.26 -5.16 120.51 115.64 1j5c n ALA 89 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1j5c n ALA 89 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -2.32 1.94 0.00 0.00 -1.26 -4.99 105.19 98.57 1j5c n GLY 90 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1j5c n GLY 90 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1j5c n MET 91 N -3.24 0.00 -0.05 1.61 1.56 -1.25 -4.83 117.12 110.91 1j5c n MET 91 Ca -0.02 0.00 0.01 0.00 -0.27 0.00 0.00 57.70 57.42 1j5c n MET 91 Cb 0.29 -0.01 -0.00 0.00 2.15 0.00 0.00 33.22 35.64 1j5c n MET 91 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 1j5c n VAL 92 N -2.47 0.00 -0.01 1.12 0.31 -1.26 -3.86 118.33 112.15 1j5c n VAL 92 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1j5c n VAL 92 Cb 0.00 -0.02 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 1j5c n VAL 92 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j5c n GLY 93 N -0.33 0.57 3.32 2.92 0.00 -1.26 -4.66 105.19 105.75 1j5c n GLY 93 Ca 0.00 -1.27 -0.10 0.00 0.00 0.00 0.00 46.02 44.65 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 -4.54 1.19 0.20 1.61 -2.85 -0.03 -3.90 119.74 111.42 1j5c s LYS 94 Ca 0.00 -1.32 0.08 0.00 -1.00 0.00 0.00 55.97 53.73 1j5c s LYS 94 Cb 0.00 0.35 -0.05 0.00 -2.06 0.00 0.00 37.83 36.07 1j5c s LYS 94 CO 0.00 -0.42 -0.15 0.08 0.10 0.00 0.00 175.35 174.96 1j5c s VAL 95 N -4.03 1.74 -0.11 1.79 1.01 -0.76 -3.87 120.40 116.17 1j5c s VAL 95 Ca 0.23 -2.18 -0.03 0.00 0.00 0.00 0.00 61.98 60.00 1j5c s VAL 95 Cb 0.04 -2.02 0.04 0.00 0.00 0.00 0.00 36.38 34.45 1j5c s VAL 95 CO 0.04 -0.57 0.06 -0.69 0.00 0.00 0.00 175.10 173.94 1j5c s VAL 96 N -2.89 0.00 0.26 2.92 1.01 -1.21 -2.33 120.40 118.17 1j5c s VAL 96 Ca 0.22 0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.99 1j5c s VAL 96 Cb -0.01 -0.42 -0.09 0.00 0.00 0.00 0.00 36.38 35.85 1j5c s VAL 96 CO 0.07 -0.02 1.01 -0.69 0.00 0.00 0.00 175.10 175.47 1j5c s VAL 97 N 2.11 3.84 -3.00 2.92 1.01 0.14 -2.73 120.40 124.69 1j5c s VAL 97 Ca 0.03 1.83 0.24 0.00 0.00 0.00 0.00 61.98 64.08 1j5c s VAL 97 Cb -0.14 -4.15 0.19 0.00 0.00 0.00 0.00 36.38 32.28 1j5c s VAL 97 CO -0.06 0.42 1.26 -0.67 0.00 0.00 0.00 175.10 176.05