#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j5c s ASN 2 N 0.00 7.23 -0.04 0.00 2.20 -1.26 -3.90 114.94 119.18 1j5c s ASN 2 Ca 0.00 2.19 0.07 0.00 -0.94 0.00 0.00 52.86 54.18 1j5c s ASN 2 Cb 0.00 -2.62 -0.02 0.00 -2.00 0.00 0.00 41.25 36.62 1j5c s ASN 2 CO 0.00 -0.16 -0.25 0.00 -2.94 0.00 0.00 177.10 173.75 1j5c s ALA 3 N -1.25 2.13 -0.00 3.54 0.00 -1.22 -4.96 121.76 120.00 1j5c s ALA 3 Ca 0.46 -1.07 -0.08 0.00 0.00 0.00 0.00 51.96 51.28 1j5c s ALA 3 Cb -0.29 -0.60 0.00 0.00 0.00 0.00 0.00 23.12 22.23 1j5c s ALA 3 CO 0.38 0.47 0.15 -0.08 0.00 0.00 0.00 175.76 176.68 1j5c s THR 4 N -0.39 0.07 -0.01 0.00 -1.32 -1.26 -1.11 115.64 111.63 1j5c s THR 4 Ca 0.03 -0.62 -0.01 0.00 -1.21 0.00 0.00 61.69 59.89 1j5c s THR 4 Cb -0.12 -0.43 0.00 0.00 -1.51 0.00 0.00 72.50 70.44 1j5c s THR 4 CO 0.01 -0.34 0.02 -0.69 -2.21 0.00 0.00 174.62 171.42 1j5c s VAL 5 N -1.26 0.01 -0.27 5.08 1.01 -0.57 -4.55 120.40 119.85 1j5c s VAL 5 Ca -0.13 -0.07 -0.13 0.00 0.00 0.00 0.00 61.98 61.64 1j5c s VAL 5 Cb -0.07 -0.06 -0.04 0.00 0.00 0.00 0.00 36.38 36.20 1j5c s VAL 5 CO 0.02 -0.04 0.30 -1.59 0.00 0.00 0.00 175.10 173.79 1j5c s LYS 6 N -0.10 4.00 -1.17 2.72 -2.85 -1.18 -2.16 119.74 119.00 1j5c s LYS 6 Ca -0.01 -0.09 -0.22 0.00 -1.00 0.00 0.00 55.97 54.64 1j5c s LYS 6 Cb -0.01 -3.65 -0.09 0.00 -2.06 0.00 0.00 37.83 32.02 1j5c s LYS 6 CO -0.00 -0.22 1.93 -1.33 0.10 0.00 0.00 175.35 175.83 1j5c n MET 7 N 5.16 1.64 0.00 1.78 2.81 -0.11 -4.16 117.12 124.24 1j5c n MET 7 Ca -0.11 -2.46 0.00 0.00 -1.81 0.00 0.00 57.70 53.32 1j5c n MET 7 Cb 0.51 -3.69 0.00 0.00 -0.71 0.00 0.00 33.22 29.33 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 5.71 0.62 3.05 3.03 0.00 -0.59 -2.89 105.19 114.11 1j5c n GLY 8 Ca 0.45 -2.21 -0.12 0.00 0.00 0.00 0.00 46.02 44.14 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 -4.00 0.75 0.09 1.61 0.01 -1.08 -4.61 113.70 106.48 1j5c s SER 9 Ca 0.00 -0.53 -0.34 0.00 1.31 0.00 0.00 55.95 56.39 1j5c s SER 9 Cb 0.00 0.04 -0.15 0.00 0.21 0.00 0.00 66.02 66.12 1j5c s SER 9 CO 0.00 -0.21 1.57 -0.78 0.41 0.00 0.00 173.24 174.23 1j5c h ASP 10 N 4.57 -1.33 -0.96 2.44 3.58 -1.96 -2.66 116.42 120.09 1j5c h ASP 10 Ca -0.35 0.12 0.10 0.00 0.42 0.00 0.00 57.03 57.32 1j5c h ASP 10 Cb 1.20 0.46 -0.12 0.00 1.72 0.00 0.00 39.33 42.59 1j5c h ASP 10 CO 0.41 -0.61 -0.53 -1.20 -2.88 0.00 0.00 179.24 174.43 1j5c n SER 11 N -5.53 -0.95 0.00 2.28 7.64 -1.26 -4.81 113.62 110.99 1j5c n SER 11 Ca -0.11 1.70 0.00 0.00 1.01 0.00 0.00 58.87 61.47 1j5c n SER 11 Cb 0.43 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 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 -1.27 0.14 3.30 0.23 0.00 -1.00 -5.18 105.19 101.40 1j5c n GLY 12 Ca 0.03 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.29 -1.14 4.61 0.00 -1.25 -4.99 121.76 118.69 1j5c s ALA 13 Ca 0.00 -0.62 -0.09 0.00 0.00 0.00 0.00 51.96 51.25 1j5c s ALA 13 Cb 0.00 0.70 0.25 0.00 0.00 0.00 0.00 23.12 24.08 1j5c s ALA 13 CO 0.00 -0.61 1.28 1.28 0.00 0.00 0.00 175.76 177.71 1j5c n LEU 14 N -0.17 5.63 -4.35 0.00 4.77 -1.26 -2.62 117.00 119.00 1j5c n LEU 14 Ca -0.12 -4.91 -0.18 0.00 -0.03 0.00 0.00 56.01 50.78 1j5c n LEU 14 Cb 0.63 -1.49 -0.10 0.00 -2.33 0.00 0.00 43.42 40.13 1j5c n LEU 14 CO 0.22 1.25 -0.29 0.68 -1.33 0.00 0.00 177.39 177.92 1j5c s VAL 15 N -0.74 0.87 -0.19 4.08 -7.23 -1.26 -4.47 120.40 111.46 1j5c s VAL 15 Ca 0.34 -2.01 -0.01 0.00 -1.81 0.00 0.00 61.98 58.49 1j5c s VAL 15 Cb -0.05 -2.54 0.05 0.00 0.56 0.00 0.00 36.38 34.39 1j5c s VAL 15 CO -0.03 -0.14 -0.01 0.72 -0.31 0.00 0.00 175.10 175.33 1j5c s PHE 16 N -3.53 1.44 0.00 2.82 -0.71 -1.26 -1.54 117.98 115.20 1j5c s PHE 16 Ca 0.34 -1.05 0.00 0.00 -1.04 0.00 0.00 56.93 55.18 1j5c s PHE 16 Cb 0.07 -1.19 -0.00 0.00 -1.21 0.00 0.00 43.02 40.69 1j5c s PHE 16 CO 0.12 -0.62 -0.01 -1.21 -1.34 0.00 0.00 175.22 172.15 1j5c s GLU 17 N 1.72 0.12 0.15 1.99 2.02 -1.26 -2.34 118.70 121.10 1j5c s GLU 17 Ca -0.01 -0.10 -0.30 0.00 0.02 0.00 0.00 54.97 54.58 1j5c s GLU 17 Cb -0.17 -0.09 -0.07 0.00 0.10 0.00 0.00 34.13 33.91 1j5c s GLU 17 CO -0.07 0.02 1.12 -1.25 0.02 0.00 0.00 175.26 175.10 1j5c s PRO 18 N -0.16 4.55 0.23 0.39 0.04 -1.26 -3.08 135.00 135.70 1j5c s PRO 18 Ca -0.01 1.73 -0.14 0.00 0.04 0.00 0.00 61.00 62.62 1j5c s PRO 18 Cb -0.01 -3.29 0.28 0.00 0.04 0.00 0.00 34.50 31.51 1j5c s PRO 18 CO -0.00 -0.01 1.44 0.45 0.04 0.00 0.00 177.00 178.92 1j5c n SER 19 N 2.75 -0.53 -4.41 6.66 2.88 -0.99 -4.33 113.62 115.65 1j5c n SER 19 Ca 0.04 1.61 -0.30 0.00 -1.33 0.00 0.00 58.87 58.89 1j5c n SER 19 Cb 0.46 -0.40 -0.13 0.00 -0.75 0.00 0.00 64.21 63.39 1j5c n SER 19 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1j5c s THR 20 N -5.95 2.47 0.03 2.46 2.01 -1.26 -2.59 115.64 112.81 1j5c s THR 20 Ca -0.13 -1.41 0.02 0.00 0.31 0.00 0.00 61.69 60.47 1j5c s THR 20 Cb 0.21 -2.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.66 1j5c s THR 20 CO 0.68 0.27 -0.07 0.68 -0.69 0.00 0.00 174.62 175.49 1j5c s VAL 21 N -0.94 0.47 -0.05 3.82 -7.23 -1.24 -5.06 120.40 110.17 1j5c s VAL 21 Ca 0.14 -0.84 -0.08 0.00 -1.81 0.00 0.00 61.98 59.39 1j5c s VAL 21 Cb -0.10 -0.51 -0.05 0.00 0.56 0.00 0.00 36.38 36.28 1j5c s VAL 21 CO 0.05 -0.26 0.24 0.42 -0.31 0.00 0.00 175.10 175.23 1j5c s THR 22 N -1.05 5.34 0.06 5.32 -4.23 -1.26 -2.87 115.64 116.95 1j5c s THR 22 Ca -0.07 0.31 -0.07 0.00 -1.18 0.00 0.00 61.69 60.68 1j5c s THR 22 Cb -0.08 -3.52 -0.01 0.00 1.34 0.00 0.00 72.50 70.23 1j5c s THR 22 CO 0.00 0.52 0.14 -0.51 -0.54 0.00 0.00 174.62 174.23 1j5c s ILE 23 N -1.14 0.14 0.58 2.99 2.07 -0.93 -4.32 121.20 120.60 1j5c s ILE 23 Ca 0.21 -1.19 0.01 0.00 -1.41 0.00 0.00 60.65 58.28 1j5c s ILE 23 Cb -0.13 -1.18 0.05 0.00 0.13 0.00 0.00 42.46 41.33 1j5c s ILE 23 CO 0.10 -0.66 0.81 -0.54 -1.91 0.00 0.00 174.94 172.75 1j5c s LYS 24 N -3.34 2.39 -1.07 3.50 -0.14 -1.25 0.20 119.74 120.03 1j5c s LYS 24 Ca 0.01 -0.88 -0.18 0.00 -1.36 0.00 0.00 55.97 53.56 1j5c s LYS 24 Cb 0.03 -2.47 0.12 0.00 -1.68 0.00 0.00 37.83 33.83 1j5c s LYS 24 CO -0.08 -0.84 1.35 0.00 -0.76 0.00 0.00 175.35 175.02 1j5c s ALA 25 N -2.82 3.43 0.00 5.17 0.00 -1.24 -3.10 121.76 123.20 1j5c s ALA 25 Ca 0.59 -2.87 0.00 0.00 0.00 0.00 0.00 51.96 49.68 1j5c s ALA 25 Cb -0.09 -4.23 0.00 0.00 0.00 0.00 0.00 23.12 18.80 1j5c s ALA 25 CO 0.39 -3.07 0.00 0.41 0.00 0.00 0.00 175.76 173.49 1j5c n GLY 26 N 5.33 0.60 3.59 0.00 0.00 0.69 -4.86 105.19 110.54 1j5c n GLY 26 Ca 0.32 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.43 -4.34 1.61 -0.58 -1.18 -4.68 120.64 110.05 1j5c n GLU 27 Ca 0.00 -1.90 -0.18 0.00 -0.42 0.00 0.00 57.16 54.66 1j5c n GLU 27 Cb 0.00 -1.32 -0.10 0.00 -0.57 0.00 0.00 31.44 29.45 1j5c n GLU 27 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1j5c s GLU 28 N -5.69 1.31 0.24 3.49 2.02 -1.26 -0.37 118.70 118.44 1j5c s GLU 28 Ca 0.70 -1.61 0.12 0.00 0.02 0.00 0.00 54.97 54.20 1j5c s GLU 28 Cb -0.02 -0.94 -0.05 0.00 0.10 0.00 0.00 34.13 33.22 1j5c s GLU 28 CO 0.50 0.09 -0.22 0.08 0.02 0.00 0.00 175.26 175.73 1j5c s VAL 29 N -3.13 2.42 -0.09 2.63 1.01 0.25 -3.45 120.40 120.05 1j5c s VAL 29 Ca 0.23 -2.21 0.00 0.00 0.00 0.00 0.00 61.98 60.00 1j5c s VAL 29 Cb 0.02 -2.22 0.02 0.00 0.00 0.00 0.00 36.38 34.20 1j5c s VAL 29 CO 0.07 -0.26 -0.07 -0.75 0.00 0.00 0.00 175.10 174.09 1j5c s LYS 30 N -3.08 1.35 -0.41 2.72 2.20 -0.26 -1.80 119.74 120.46 1j5c s LYS 30 Ca 0.25 -0.23 -0.03 0.00 -0.36 0.00 0.00 55.97 55.61 1j5c s LYS 30 Cb -0.06 -1.36 0.11 0.00 -1.51 0.00 0.00 37.83 35.01 1j5c s LYS 30 CO 0.12 -0.17 0.21 -1.58 -0.36 0.00 0.00 175.35 173.57 1j5c s TRP 31 N 1.37 3.58 0.01 4.03 0.51 -1.00 -1.51 118.94 125.94 1j5c s TRP 31 Ca -0.02 -2.41 -0.22 0.00 -2.12 0.00 0.00 56.10 51.33 1j5c s TRP 31 Cb -0.14 -3.23 -0.05 0.00 -0.81 0.00 0.00 33.47 29.24 1j5c s TRP 31 CO -0.04 -0.97 0.64 0.54 -0.51 0.00 0.00 176.95 176.61 1j5c s VAL 32 N 1.13 4.85 -0.42 4.03 0.11 -0.92 -2.90 120.40 126.28 1j5c s VAL 32 Ca 0.08 1.34 -0.29 0.00 -2.93 0.00 0.00 61.98 60.19 1j5c s VAL 32 Cb -0.23 -3.98 0.02 0.00 -1.53 0.00 0.00 36.38 30.67 1j5c s VAL 32 CO -0.04 0.41 1.09 0.21 -3.33 0.00 0.00 175.10 173.44 1j5c s ASN 33 N -0.22 6.72 -0.03 3.54 2.47 -1.26 -0.93 114.94 125.23 1j5c s ASN 33 Ca 0.33 0.64 -0.02 0.00 0.42 0.00 0.00 52.86 54.23 1j5c s ASN 33 Cb -0.19 -2.53 -0.01 0.00 -1.45 0.00 0.00 41.25 37.07 1j5c s ASN 33 CO 0.19 -1.09 0.16 -1.13 -3.72 0.00 0.00 177.10 171.51 1j5c h ASN 34 N 8.79 -0.06 -0.16 -4.21 -0.73 -1.85 -3.39 115.58 113.97 1j5c h ASN 34 Ca -0.22 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.95 1j5c h ASN 34 Cb 1.06 0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.67 1j5c h ASN 34 CO 1.08 0.11 0.00 1.17 -0.37 0.00 0.00 177.43 179.42 1j5c n LYS 35 N -3.03 0.00 -2.73 6.67 4.81 -1.18 -4.85 118.16 117.85 1j5c n LYS 35 Ca -0.01 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 1j5c n LYS 35 Cb 0.03 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.12 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 -4.69 -4.89 3.14 7.99 -1.26 -4.68 117.00 112.60 1j5c n LEU 36 Ca 0.00 -0.46 -0.29 0.00 -0.01 0.00 0.00 56.01 55.25 1j5c n LEU 36 Cb 0.00 -2.46 0.01 0.00 -0.11 0.00 0.00 43.42 40.86 1j5c n LEU 36 CO 0.00 -0.02 0.56 -0.44 -1.51 0.00 0.00 177.39 175.98 1j5c s SER 37 N -3.22 6.11 1.00 -1.43 0.01 -1.26 -4.46 113.70 110.45 1j5c s SER 37 Ca 0.29 1.07 -0.15 0.00 1.31 0.00 0.00 55.95 58.47 1j5c s SER 37 Cb -0.04 -2.23 0.19 0.00 0.21 0.00 0.00 66.02 64.16 1j5c s SER 37 CO 0.53 -0.78 1.18 -2.16 0.41 0.00 0.00 173.24 172.42 1j5c s PRO 38 N -4.95 0.40 -0.00 12.44 0.04 -1.26 -5.15 135.00 136.51 1j5c s PRO 38 Ca 0.51 0.00 -0.04 0.00 0.04 0.00 0.00 61.00 61.52 1j5c s PRO 38 Cb -0.11 -1.78 -0.00 0.00 0.04 0.00 0.00 34.50 32.65 1j5c s PRO 38 CO 0.48 -2.64 0.07 -1.01 0.04 0.00 0.00 177.00 173.94 1j5c s HIS 39 N -3.38 0.06 -0.03 0.56 3.76 -0.92 -4.96 115.29 110.37 1j5c s HIS 39 Ca 0.68 -0.12 -0.08 0.00 -0.15 0.00 0.00 55.06 55.39 1j5c s HIS 39 Cb -0.10 -0.06 0.01 0.00 1.11 0.00 0.00 32.58 33.54 1j5c s HIS 39 CO 0.54 -0.18 0.18 1.21 -0.85 0.00 0.00 174.74 175.64 1j5c s ASN 40 N -0.93 -0.09 -0.58 1.40 3.84 -1.26 0.64 114.94 117.96 1j5c s ASN 40 Ca -0.10 0.08 0.06 0.00 0.21 0.00 0.00 52.86 53.11 1j5c s ASN 40 Cb -0.06 0.30 0.26 0.00 -0.55 0.00 0.00 41.25 41.20 1j5c s ASN 40 CO 0.00 -0.25 0.73 -0.38 -2.79 0.00 0.00 177.10 174.41 1j5c n ILE 41 N 2.08 1.85 -2.89 -5.21 5.41 -1.25 -4.07 119.36 115.28 1j5c n ILE 41 Ca -0.18 -5.03 -0.36 0.00 1.00 0.00 0.00 62.75 58.17 1j5c n ILE 41 Cb 0.57 -1.97 -0.06 0.00 -0.71 0.00 0.00 39.64 37.47 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 -2.44 4.35 -0.11 1.39 1.01 -1.16 -1.17 120.40 122.28 1j5c s VAL 42 Ca 0.40 1.59 0.03 0.00 0.00 0.00 0.00 61.98 64.00 1j5c s VAL 42 Cb 0.17 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1j5c s VAL 42 CO -0.04 0.07 -0.22 -0.36 0.00 0.00 0.00 175.10 174.55 1j5c s PHE 43 N -1.69 2.50 0.31 5.22 0.40 -1.26 -1.72 117.98 121.74 1j5c s PHE 43 Ca 0.50 -1.11 -0.21 0.00 -0.60 0.00 0.00 56.93 55.51 1j5c s PHE 43 Cb -0.16 -1.69 -0.09 0.00 0.51 0.00 0.00 43.02 41.58 1j5c s PHE 43 CO 0.21 -0.48 0.83 0.00 0.70 0.00 0.00 175.22 176.48 1j5c s ALA 44 N 0.55 3.27 -1.02 5.36 0.00 -0.74 -4.71 121.76 124.48 1j5c s ALA 44 Ca -0.14 0.29 -0.09 0.00 0.00 0.00 0.00 51.96 52.02 1j5c s ALA 44 Cb -0.17 -2.98 0.26 0.00 0.00 0.00 0.00 23.12 20.23 1j5c s ALA 44 CO 0.04 0.25 0.98 0.00 0.00 0.00 0.00 175.76 177.04 1j5c s ALA 45 N -1.76 4.53 -0.08 0.00 0.00 -1.26 -4.48 121.76 118.70 1j5c s ALA 45 Ca 0.51 -3.74 -0.08 0.00 0.00 0.00 0.00 51.96 48.64 1j5c s ALA 45 Cb -0.15 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 1j5c s ALA 45 CO 0.20 -2.20 -0.15 -3.47 0.00 0.00 0.00 175.76 170.13 1j5c n ASP 46 N 2.87 0.87 -1.90 0.00 -0.08 -1.26 -4.62 116.55 112.43 1j5c n ASP 46 Ca 0.21 0.17 -0.01 0.00 -1.51 0.00 0.00 54.79 53.64 1j5c n ASP 46 Cb 0.40 -0.61 0.33 0.00 2.34 0.00 0.00 41.12 43.58 1j5c n ASP 46 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1j5c n GLY 47 N 1.49 3.52 3.18 0.27 0.00 -1.26 -4.93 105.19 107.46 1j5c n GLY 47 Ca -0.06 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.93 0.23 1.21 1.61 1.01 -1.26 -4.86 120.40 115.42 1j5c s VAL 48 Ca 0.54 -1.93 -0.20 0.00 0.00 0.00 0.00 61.98 60.39 1j5c s VAL 48 Cb 0.43 -2.10 0.30 0.00 0.00 0.00 0.00 36.38 35.02 1j5c s VAL 48 CO 0.14 -0.43 1.01 -0.67 0.00 0.00 0.00 175.10 175.14 1j5c n ASP 49 N -0.14 -2.38 -0.05 3.32 2.03 -1.26 -4.79 116.55 113.28 1j5c n ASP 49 Ca -0.05 -1.09 -0.02 0.00 0.52 0.00 0.00 54.79 54.15 1j5c n ASP 49 Cb 0.64 -0.96 -0.01 0.00 -0.72 0.00 0.00 41.12 40.07 1j5c n ASP 49 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1j5c h ALA 50 N -2.85 0.00 -0.66 -1.67 0.00 -1.98 -2.93 119.26 109.17 1j5c h ALA 50 Ca -0.39 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 54.45 1j5c h ALA 50 Cb 1.21 0.18 -0.13 0.00 0.00 0.00 0.00 17.79 19.06 1j5c h ALA 50 CO 0.25 0.18 -0.17 -0.44 0.00 0.00 0.00 179.25 179.07 1j5c h ASP 51 N -0.78 -0.64 0.17 0.00 5.19 -1.98 0.54 116.42 118.93 1j5c h ASP 51 Ca 0.00 0.20 -0.00 0.00 -0.62 0.00 0.00 57.03 56.61 1j5c h ASP 51 Cb 0.18 0.42 -0.01 0.00 0.18 0.00 0.00 39.33 40.10 1j5c h ASP 51 CO 0.00 -0.22 -0.17 0.74 -3.12 0.00 0.00 179.24 176.46 1j5c h THR 52 N -0.01 0.00 -1.24 0.35 2.02 -1.97 -0.93 112.91 111.13 1j5c h THR 52 Ca 0.31 0.00 0.36 0.00 0.77 0.00 0.00 66.41 67.85 1j5c h THR 52 Cb 0.49 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.84 1j5c h THR 52 CO -0.68 0.00 0.88 0.00 0.37 0.00 0.00 175.52 176.09 1j5c h ALA 53 N -1.46 3.04 0.58 6.16 0.00 -1.19 0.38 119.26 126.77 1j5c h ALA 53 Ca -0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1j5c h ALA 53 Cb 0.30 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.19 1j5c h ALA 53 CO -0.02 -1.42 -0.28 0.00 0.00 0.00 0.00 179.25 177.52 1j5c h ALA 54 N 1.41 -0.78 0.10 0.00 0.00 0.13 1.46 119.26 121.58 1j5c h ALA 54 Ca 0.62 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.36 1j5c h ALA 54 Cb 2.31 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 20.38 1j5c h ALA 54 CO -0.07 -0.93 -0.16 0.87 0.00 0.00 0.00 179.25 178.95 1j5c h LYS 55 N -0.80 -0.31 0.00 0.00 1.57 0.94 0.95 116.57 118.91 1j5c h LYS 55 Ca -0.08 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1j5c h LYS 55 Cb 0.61 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1j5c h LYS 55 CO 0.13 -0.21 0.00 -0.07 -0.57 0.00 0.00 179.45 178.73 1j5c h LEU 56 N -0.33 0.00 -9.32 2.94 4.07 -1.01 -3.41 115.31 108.25 1j5c h LEU 56 Ca 0.02 0.00 -0.56 0.00 0.08 0.00 0.00 57.88 57.42 1j5c h LEU 56 Cb 0.34 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.03 1j5c h LEU 56 CO -0.08 0.00 0.23 -0.55 -1.08 0.00 0.00 178.44 176.95 1j5c s SER 57 N -4.84 7.05 -0.50 -0.43 0.15 0.50 -4.55 113.70 111.08 1j5c s SER 57 Ca -0.01 1.27 -0.13 0.00 0.70 0.00 0.00 55.95 57.78 1j5c s SER 57 Cb 0.10 -2.45 0.11 0.00 -1.71 0.00 0.00 66.02 62.07 1j5c s SER 57 CO 0.39 -0.22 0.42 -1.00 1.20 0.00 0.00 173.24 174.03 1j5c s HIS 58 N 1.22 3.31 0.05 3.44 3.76 -0.31 -4.85 115.29 121.90 1j5c s HIS 58 Ca 0.41 -1.42 -0.15 0.00 -0.15 0.00 0.00 55.06 53.74 1j5c s HIS 58 Cb -0.18 -3.55 -0.29 0.00 1.11 0.00 0.00 32.58 29.66 1j5c s HIS 58 CO 0.18 -0.97 1.09 0.87 -0.85 0.00 0.00 174.74 175.07 1j5c h LYS 59 N 8.71 0.62 -6.32 1.40 1.57 -1.89 -3.29 116.57 117.37 1j5c h LYS 59 Ca -0.27 -0.83 -0.54 0.00 -1.87 0.00 0.00 60.65 57.14 1j5c h LYS 59 Cb 1.09 0.27 0.00 0.00 0.08 0.00 0.00 32.23 33.68 1j5c h LYS 59 CO 0.94 1.38 1.08 0.20 -0.57 0.00 0.00 179.45 182.48 1j5c s GLY 60 N -4.43 1.54 0.45 3.86 0.00 -1.26 -4.97 107.32 102.51 1j5c s GLY 60 Ca -0.10 1.05 -0.20 0.00 0.00 0.00 0.00 44.72 45.47 1j5c s GLY 60 CO 0.93 3.06 0.96 1.08 0.00 0.00 0.00 173.10 179.13 1j5c s LEU 61 N 3.78 3.86 0.13 0.66 1.02 -1.26 -4.72 118.68 122.16 1j5c s LEU 61 Ca 0.75 1.67 0.01 0.00 0.02 0.00 0.00 54.13 56.59 1j5c s LEU 61 Cb -0.36 -4.53 -0.04 0.00 0.02 0.00 0.00 46.19 41.28 1j5c s LEU 61 CO 0.32 -0.44 0.28 0.00 0.02 0.00 0.00 176.35 176.53 1j5c s ALA 62 N -2.27 3.96 0.30 4.21 0.00 0.21 -4.94 121.76 123.22 1j5c s ALA 62 Ca 0.62 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.62 1j5c s ALA 62 Cb -0.10 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.20 1j5c s ALA 62 CO 0.18 0.60 0.00 1.19 0.00 0.00 0.00 175.76 177.73 1j5c n PHE 63 N -0.35 -2.71 -2.45 0.00 3.72 -1.26 -2.17 117.46 112.24 1j5c n PHE 63 Ca -0.06 0.54 -0.42 0.00 -0.05 0.00 0.00 57.45 57.45 1j5c n PHE 63 Cb 0.53 0.84 -0.03 0.00 -0.94 0.00 0.00 39.48 39.89 1j5c n PHE 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1j5c s ALA 64 N -2.00 3.41 -1.01 4.37 0.00 -1.26 -4.86 121.76 120.41 1j5c s ALA 64 Ca 0.00 0.75 -0.24 0.00 0.00 0.00 0.00 51.96 52.48 1j5c s ALA 64 Cb 0.00 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.61 1j5c s ALA 64 CO 0.00 -0.54 1.89 0.00 0.00 0.00 0.00 175.76 177.11 1j5c s ALA 65 N 1.46 1.87 0.00 0.00 0.00 -1.26 -2.63 121.76 121.20 1j5c s ALA 65 Ca 0.57 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.71 1j5c s ALA 65 Cb -0.27 -4.59 0.00 0.00 0.00 0.00 0.00 23.12 18.25 1j5c s ALA 65 CO 0.27 -4.76 0.00 0.41 0.00 0.00 0.00 175.76 171.67 1j5c n GLY 66 N 6.50 0.43 3.53 0.00 0.00 -1.26 -5.04 105.19 109.34 1j5c n GLY 66 Ca 0.41 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.99 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 3.18 0.14 1.61 2.02 -1.08 -4.94 118.70 119.64 1j5c s GLU 67 Ca 0.00 -0.35 0.05 0.00 0.02 0.00 0.00 54.97 54.69 1j5c s GLU 67 Cb 0.00 -4.19 -0.04 0.00 0.10 0.00 0.00 34.13 30.00 1j5c s GLU 67 CO 0.00 -2.08 0.09 -1.54 0.02 0.00 0.00 175.26 171.75 1j5c s SER 68 N 3.73 5.36 0.47 -0.19 1.04 -1.26 -4.51 113.70 118.33 1j5c s SER 68 Ca 0.33 -0.16 0.07 0.00 0.48 0.00 0.00 55.95 56.67 1j5c s SER 68 Cb -0.10 -1.36 0.01 0.00 0.10 0.00 0.00 66.02 64.67 1j5c s SER 68 CO 0.14 0.10 0.44 -0.36 0.98 0.00 0.00 173.24 174.54 1j5c s PHE 69 N -1.65 2.27 0.01 5.02 0.08 -1.14 -4.96 117.98 117.61 1j5c s PHE 69 Ca 0.30 -0.61 -0.07 0.00 0.12 0.00 0.00 56.93 56.67 1j5c s PHE 69 Cb -0.10 -2.12 -0.00 0.00 -0.57 0.00 0.00 43.02 40.23 1j5c s PHE 69 CO 0.22 -0.35 0.12 0.99 -0.10 0.00 0.00 175.22 176.10 1j5c s THR 70 N -2.57 0.09 0.14 0.64 2.01 -1.26 -2.38 115.64 112.31 1j5c s THR 70 Ca 0.46 -0.78 -0.01 0.00 0.31 0.00 0.00 61.69 61.68 1j5c s THR 70 Cb -0.03 -0.51 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 1j5c s THR 70 CO 0.28 -0.43 0.06 -0.94 -0.69 0.00 0.00 174.62 172.90 1j5c s SER 71 N -1.54 0.33 -0.08 3.53 1.04 -0.74 -4.94 113.70 111.30 1j5c s SER 71 Ca -0.13 -1.23 0.03 0.00 0.48 0.00 0.00 55.95 55.10 1j5c s SER 71 Cb -0.07 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1j5c s SER 71 CO 0.00 -0.74 -0.20 -0.89 0.98 0.00 0.00 173.24 172.40 1j5c s THR 72 N -4.04 1.73 -0.55 2.02 2.01 -1.26 -0.58 115.64 114.97 1j5c s THR 72 Ca 0.26 -0.83 -0.12 0.00 0.31 0.00 0.00 61.69 61.32 1j5c s THR 72 Cb 0.07 -1.51 0.14 0.00 0.01 0.00 0.00 72.50 71.21 1j5c s THR 72 CO 0.03 0.49 0.45 -0.36 -0.69 0.00 0.00 174.62 174.54 1j5c s PHE 73 N 0.42 3.41 -0.18 4.92 0.40 0.50 -4.86 117.98 122.59 1j5c s PHE 73 Ca -0.16 -1.74 -0.08 0.00 -0.60 0.00 0.00 56.93 54.34 1j5c s PHE 73 Cb -0.17 -3.62 -0.21 0.00 0.51 0.00 0.00 43.02 39.52 1j5c s PHE 73 CO 0.07 -0.99 0.13 2.41 0.70 0.00 0.00 175.22 177.53 1j5c n THR 74 N 4.83 1.64 -2.60 0.64 -1.04 -1.26 0.25 114.28 116.73 1j5c n THR 74 Ca -0.06 -0.49 -0.43 0.00 -2.04 0.00 0.00 64.05 61.03 1j5c n THR 74 Cb 0.41 -1.74 -0.02 0.00 -1.82 0.00 0.00 70.33 67.16 1j5c n THR 74 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1j5c s GLU 75 N -2.51 4.27 -1.17 -2.82 2.02 -1.26 -4.47 118.70 112.76 1j5c s GLU 75 Ca -0.28 1.44 -0.12 0.00 0.02 0.00 0.00 54.97 56.03 1j5c s GLU 75 Cb 0.08 -3.66 -0.07 0.00 0.10 0.00 0.00 34.13 30.58 1j5c s GLU 75 CO 0.67 -0.62 2.31 -0.35 0.02 0.00 0.00 175.26 177.29 1j5c n PRO 76 N 6.27 2.52 0.00 0.39 -0.04 -1.26 -4.71 135.00 138.16 1j5c n PRO 76 Ca 0.12 -1.95 0.00 0.00 -0.04 0.00 0.00 63.50 61.63 1j5c n PRO 76 Cb 0.46 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.12 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 3.95 5.34 2.68 0.55 0.00 -1.26 -4.84 105.19 111.60 1j5c n GLY 77 Ca 0.56 -1.41 -0.21 0.00 0.00 0.00 0.00 46.02 44.96 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 3.13 -0.13 0.19 2.61 2.01 -1.26 0.07 115.64 122.25 1j5c s THR 78 Ca 0.00 0.28 0.03 0.00 0.31 0.00 0.00 61.69 62.31 1j5c s THR 78 Cb 0.00 -0.27 -0.03 0.00 0.01 0.00 0.00 72.50 72.20 1j5c s THR 78 CO 0.00 0.07 0.33 -0.31 -0.69 0.00 0.00 174.62 174.02 1j5c s TYR 79 N 2.18 3.48 0.05 4.92 1.51 -1.06 -4.75 117.35 123.68 1j5c s TYR 79 Ca 0.04 0.12 0.04 0.00 -1.01 0.00 0.00 57.07 56.26 1j5c s TYR 79 Cb -0.13 -1.67 -0.02 0.00 -0.11 0.00 0.00 41.96 40.02 1j5c s TYR 79 CO -0.05 0.46 -0.12 0.99 -1.11 0.00 0.00 175.55 175.72 1j5c s THR 80 N -1.85 0.96 0.24 -0.71 2.01 -1.26 -1.76 115.64 113.28 1j5c s THR 80 Ca 0.35 -1.13 -0.14 0.00 0.31 0.00 0.00 61.69 61.08 1j5c s THR 80 Cb -0.10 -0.93 0.00 0.00 0.01 0.00 0.00 72.50 71.48 1j5c s THR 80 CO 0.29 -0.18 0.51 -0.72 -0.69 0.00 0.00 174.62 173.83 1j5c s TYR 81 N -1.13 0.22 -0.04 4.92 1.13 -1.24 -1.78 117.35 119.42 1j5c s TYR 81 Ca -0.02 -0.60 -0.30 0.00 -1.41 0.00 0.00 57.07 54.74 1j5c s TYR 81 Cb -0.09 0.28 0.11 0.00 -1.10 0.00 0.00 41.96 41.16 1j5c s TYR 81 CO 0.01 -1.01 1.32 1.52 -2.51 0.00 0.00 175.55 174.89 1j5c s TYR 82 N -3.98 0.01 -0.24 -3.49 -0.85 -0.70 -4.17 117.35 103.93 1j5c s TYR 82 Ca 0.19 -0.08 -0.13 0.00 -0.52 0.00 0.00 57.07 56.52 1j5c s TYR 82 Cb -0.01 0.54 -0.04 0.00 0.38 0.00 0.00 41.96 42.82 1j5c s TYR 82 CO 0.07 -0.18 0.29 0.00 -1.52 0.00 0.00 175.55 174.21 1j5c h GLU 84 N 7.76 -0.00 0.00 0.00 4.39 -1.95 -3.25 114.58 121.53 1j5c h GLU 84 Ca -0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.35 1j5c h GLU 84 Cb 1.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1j5c h GLU 84 CO 0.66 0.96 0.00 -0.35 -1.16 0.00 0.00 179.01 179.12 1j5c n PRO 85 N -4.63 0.75 -1.59 2.33 -0.04 -1.26 -4.86 135.00 125.70 1j5c n PRO 85 Ca -0.10 0.00 -0.48 0.00 -0.04 0.00 0.00 63.50 62.88 1j5c n PRO 85 Cb 0.46 -1.44 -0.04 0.00 -0.04 0.00 0.00 33.50 32.44 1j5c n PRO 85 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1j5c n HIS 86 N -0.94 1.43 -3.88 0.54 -0.00 -1.23 -4.92 115.22 106.21 1j5c n HIS 86 Ca 0.16 0.64 -0.28 0.00 0.46 0.00 0.00 57.72 58.70 1j5c n HIS 86 Cb 0.07 -2.31 -0.12 0.00 -0.12 0.00 0.00 29.99 27.52 1j5c n HIS 86 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 1j5c n ARG 87 N 1.79 1.88 0.00 1.57 0.63 -1.26 -4.92 116.66 116.35 1j5c n ARG 87 Ca 0.14 -4.50 0.00 0.00 -0.92 0.00 0.00 57.85 52.57 1j5c n ARG 87 Cb 0.26 -2.29 0.00 0.00 0.45 0.00 0.00 32.46 30.88 1j5c n ARG 87 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1j5c n GLY 88 N 1.92 -0.75 0.00 5.14 0.00 -1.26 -5.12 105.19 105.12 1j5c n GLY 88 Ca 0.20 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.85 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 -3.00 0.00 0.00 4.61 0.00 -1.26 -5.16 120.51 115.70 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 0.00 0.76 2.74 0.00 0.00 -1.26 -5.12 105.19 102.31 1j5c n GLY 90 Ca 0.00 -1.65 -0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 0.00 -3.44 0.11 1.61 0.00 -1.26 -4.83 117.12 109.32 1j5c n MET 91 Ca 0.00 2.75 0.00 0.00 0.00 0.00 0.00 57.70 60.45 1j5c n MET 91 Cb 0.00 -5.14 0.00 0.00 0.00 0.00 0.00 33.22 28.08 1j5c n MET 91 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 1j5c n VAL 92 N 0.82 0.11 -1.47 1.12 0.24 -1.26 -3.79 118.33 114.10 1j5c n VAL 92 Ca -0.03 0.04 0.12 0.00 -2.04 0.00 0.00 64.34 62.42 1j5c n VAL 92 Cb 0.07 -0.62 -0.07 0.00 -1.47 0.00 0.00 33.84 31.76 1j5c n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1j5c n GLY 93 N 1.71 -3.41 3.14 7.63 0.00 -1.26 -3.93 105.19 109.07 1j5c n GLY 93 Ca 0.00 -0.91 -0.09 0.00 0.00 0.00 0.00 46.02 45.02 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 -4.70 0.65 0.24 1.61 -2.85 -1.07 -3.69 119.74 109.92 1j5c s LYS 94 Ca 0.00 -0.83 0.12 0.00 -1.00 0.00 0.00 55.97 54.26 1j5c s LYS 94 Cb 0.00 0.25 -0.05 0.00 -2.06 0.00 0.00 37.83 35.98 1j5c s LYS 94 CO 0.00 -0.17 -0.21 0.08 0.10 0.00 0.00 175.35 175.15 1j5c s VAL 95 N -2.97 2.47 -0.10 1.79 1.01 -0.72 -3.66 120.40 118.21 1j5c s VAL 95 Ca -0.02 -2.22 -0.02 0.00 0.00 0.00 0.00 61.98 59.72 1j5c s VAL 95 Cb 0.01 -2.25 0.04 0.00 0.00 0.00 0.00 36.38 34.18 1j5c s VAL 95 CO -0.06 -0.27 0.03 -0.69 0.00 0.00 0.00 175.10 174.11 1j5c s VAL 96 N -2.13 0.23 0.70 2.92 1.01 -1.14 -2.58 120.40 119.41 1j5c s VAL 96 Ca 0.26 0.05 -0.11 0.00 0.00 0.00 0.00 61.98 62.18 1j5c s VAL 96 Cb -0.06 -0.53 0.01 0.00 0.00 0.00 0.00 36.38 35.80 1j5c s VAL 96 CO 0.13 0.10 1.06 -0.69 0.00 0.00 0.00 175.10 175.70 1j5c s VAL 97 N 2.02 4.02 0.00 2.92 1.01 0.11 -2.18 120.40 128.30 1j5c s VAL 97 Ca 0.04 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.67 1j5c s VAL 97 Cb -0.13 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.84 1j5c s VAL 97 CO -0.06 -0.86 0.00 -0.67 0.00 0.00 0.00 175.10 173.52