#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 7.24 -0.06 0.00 4.22 -1.26 -4.23 114.94 120.85 1j5c s ASN 2 Ca 0.00 2.21 -0.05 0.00 -2.14 0.00 0.00 52.86 52.88 1j5c s ASN 2 Cb 0.00 -2.62 0.02 0.00 1.28 0.00 0.00 41.25 39.93 1j5c s ASN 2 CO 0.00 -0.15 0.16 0.00 -2.04 0.00 0.00 177.10 175.06 1j5c s ALA 3 N -1.23 -0.38 0.37 3.54 0.00 -1.25 -5.03 121.76 117.78 1j5c s ALA 3 Ca 0.46 0.50 0.06 0.00 0.00 0.00 0.00 51.96 52.97 1j5c s ALA 3 Cb -0.30 -0.30 -0.07 0.00 0.00 0.00 0.00 23.12 22.45 1j5c s ALA 3 CO 0.38 -0.09 0.02 -0.08 0.00 0.00 0.00 175.76 175.99 1j5c s THR 4 N 0.27 1.70 0.10 0.00 -1.32 -1.26 -2.19 115.64 112.94 1j5c s THR 4 Ca -0.02 -2.02 -0.07 0.00 -1.21 0.00 0.00 61.69 58.38 1j5c s THR 4 Cb -0.03 -2.87 -0.01 0.00 -1.51 0.00 0.00 72.50 68.08 1j5c s THR 4 CO -0.01 -0.03 0.15 -0.69 -2.21 0.00 0.00 174.62 171.83 1j5c s VAL 5 N -2.93 0.14 0.03 5.08 1.01 0.46 -4.61 120.40 119.57 1j5c s VAL 5 Ca 0.35 -1.40 0.09 0.00 0.00 0.00 0.00 61.98 61.02 1j5c s VAL 5 Cb 0.09 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1j5c s VAL 5 CO 0.17 -0.64 -0.26 -0.54 0.00 0.00 0.00 175.10 173.82 1j5c s LYS 6 N -3.91 1.86 -0.85 2.72 1.02 -0.91 -1.34 119.74 118.33 1j5c s LYS 6 Ca 0.09 -1.07 -0.25 0.00 0.02 0.00 0.00 55.97 54.76 1j5c s LYS 6 Cb 0.05 -1.99 0.05 0.00 -0.52 0.00 0.00 37.83 35.42 1j5c s LYS 6 CO -0.08 0.52 1.31 -1.64 -0.92 0.00 0.00 175.35 174.54 1j5c s MET 7 N -1.10 3.35 0.00 1.68 -1.94 -0.81 -3.08 119.30 117.40 1j5c s MET 7 Ca 0.11 -0.70 0.00 0.00 -1.71 0.00 0.00 55.69 53.40 1j5c s MET 7 Cb -0.10 -4.66 0.00 0.00 2.01 0.00 0.00 34.83 32.08 1j5c s MET 7 CO 0.01 -2.12 0.00 0.41 -0.01 0.00 0.00 175.02 173.31 1j5c n GLY 8 N 5.94 0.19 3.31 -0.03 0.00 -1.20 -3.22 105.19 110.19 1j5c n GLY 8 Ca 0.15 -1.54 -0.10 0.00 0.00 0.00 0.00 46.02 44.53 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 0.10 0.00 1.61 0.01 -1.23 -2.81 113.70 107.38 1j5c s SER 9 Ca 0.00 -1.07 0.18 0.00 1.31 0.00 0.00 55.95 56.36 1j5c s SER 9 Cb 0.00 0.42 0.84 0.00 0.21 0.00 0.00 66.02 67.49 1j5c s SER 9 CO 0.00 -0.89 1.54 0.47 0.41 0.00 0.00 173.24 174.77 1j5c n ASP 10 N -0.23 0.00 -0.05 2.44 8.00 -1.26 -3.57 116.55 121.88 1j5c n ASP 10 Ca -0.04 0.21 -0.07 0.00 0.71 0.00 0.00 54.79 55.61 1j5c n ASP 10 Cb 0.64 -0.37 -0.02 0.00 -0.02 0.00 0.00 41.12 41.35 1j5c n ASP 10 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1j5c n SER 11 N -1.37 1.63 0.00 -2.24 7.64 -1.26 -5.08 113.62 112.94 1j5c n SER 11 Ca 0.07 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1j5c n SER 11 Cb 0.17 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 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 2.14 -0.61 3.29 0.23 0.00 -1.23 -5.17 105.19 103.85 1j5c n GLY 12 Ca -0.11 0.42 -0.11 0.00 0.00 0.00 0.00 46.02 46.22 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 0.75 -0.14 4.61 0.00 -1.26 -4.92 121.76 120.80 1j5c s ALA 13 Ca 0.00 -1.44 -0.25 0.00 0.00 0.00 0.00 51.96 50.27 1j5c s ALA 13 Cb 0.00 1.24 -0.22 0.00 0.00 0.00 0.00 23.12 24.14 1j5c s ALA 13 CO 0.00 -0.65 0.63 -0.07 0.00 0.00 0.00 175.76 175.68 1j5c h LEU 14 N 2.55 0.00 -9.24 0.00 3.38 -1.95 -3.26 115.31 106.79 1j5c h LEU 14 Ca -0.33 -0.84 -0.61 0.00 0.09 0.00 0.00 57.88 56.19 1j5c h LEU 14 Cb 1.24 0.00 0.15 0.00 0.09 0.00 0.00 40.66 42.15 1j5c h LEU 14 CO 0.49 0.96 -0.57 1.33 0.09 0.00 0.00 178.44 180.74 1j5c n VAL 15 N -4.62 1.45 -3.89 1.22 0.24 -1.26 -3.83 118.33 107.65 1j5c n VAL 15 Ca -0.10 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.34 61.37 1j5c n VAL 15 Cb 0.43 -0.38 -0.05 0.00 -1.47 0.00 0.00 33.84 32.37 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 -1.55 3.54 -0.06 6.34 0.40 -1.25 -3.23 117.98 122.17 1j5c s PHE 16 Ca 0.62 0.36 -0.04 0.00 -0.60 0.00 0.00 56.93 57.27 1j5c s PHE 16 Cb -0.60 -1.83 0.02 0.00 0.51 0.00 0.00 43.02 41.11 1j5c s PHE 16 CO 0.59 0.62 0.15 -2.00 0.70 0.00 0.00 175.22 175.28 1j5c s GLU 17 N -2.08 0.14 0.55 0.44 -6.30 -1.12 -3.32 118.70 107.00 1j5c s GLU 17 Ca 0.30 0.26 -0.17 0.00 -2.50 0.00 0.00 54.97 52.85 1j5c s GLU 17 Cb -0.13 -0.01 -0.06 0.00 0.00 0.00 0.00 34.13 33.94 1j5c s GLU 17 CO 0.21 -0.07 1.04 -1.25 0.02 0.00 0.00 175.26 175.21 1j5c s PRO 18 N 0.45 3.54 0.06 4.30 0.04 -1.26 -2.15 135.00 139.98 1j5c s PRO 18 Ca -0.03 1.24 -0.16 0.00 0.04 0.00 0.00 61.00 62.08 1j5c s PRO 18 Cb -0.04 -2.06 -0.16 0.00 0.04 0.00 0.00 34.50 32.27 1j5c s PRO 18 CO -0.02 -0.63 1.28 0.66 0.04 0.00 0.00 177.00 178.32 1j5c h SER 19 N 0.87 0.71 -4.14 6.66 4.64 -1.78 -3.45 113.55 117.07 1j5c h SER 19 Ca -0.48 -0.61 -0.69 0.00 -0.47 0.00 0.00 61.79 59.54 1j5c h SER 19 Cb 1.22 -0.21 -0.24 0.00 -0.31 0.00 0.00 62.40 62.86 1j5c h SER 19 CO 0.58 1.20 -0.83 -0.89 -0.87 0.00 0.00 176.83 176.03 1j5c s THR 20 N -3.80 2.57 -0.03 2.95 2.01 -1.26 -0.44 115.64 117.64 1j5c s THR 20 Ca -0.12 -1.18 -0.07 0.00 0.31 0.00 0.00 61.69 60.63 1j5c s THR 20 Cb 0.07 -2.03 0.01 0.00 0.01 0.00 0.00 72.50 70.55 1j5c s THR 20 CO 0.84 0.40 0.16 0.68 -0.69 0.00 0.00 174.62 176.02 1j5c s VAL 21 N -0.84 0.05 0.09 3.82 -7.23 -1.23 -5.01 120.40 110.05 1j5c s VAL 21 Ca 0.13 -0.39 -0.24 0.00 -1.81 0.00 0.00 61.98 59.67 1j5c s VAL 21 Cb -0.10 -0.36 -0.07 0.00 0.56 0.00 0.00 36.38 36.41 1j5c s VAL 21 CO 0.03 -0.21 0.73 0.42 -0.31 0.00 0.00 175.10 175.76 1j5c s THR 22 N -0.74 4.61 0.07 5.32 -4.23 -1.26 -2.69 115.64 116.71 1j5c s THR 22 Ca -0.08 1.57 -0.04 0.00 -1.18 0.00 0.00 61.69 61.96 1j5c s THR 22 Cb -0.05 -4.08 -0.02 0.00 1.34 0.00 0.00 72.50 69.69 1j5c s THR 22 CO 0.01 0.45 0.07 -0.51 -0.54 0.00 0.00 174.62 174.10 1j5c s ILE 23 N -0.61 0.18 0.27 2.99 -1.16 0.54 -4.49 121.20 118.93 1j5c s ILE 23 Ca 0.36 -1.55 0.08 0.00 -0.51 0.00 0.00 60.65 59.03 1j5c s ILE 23 Cb -0.21 -1.47 -0.04 0.00 0.61 0.00 0.00 42.46 41.35 1j5c s ILE 23 CO 0.23 -0.83 0.10 -0.54 -2.81 0.00 0.00 174.94 171.09 1j5c s LYS 24 N -3.90 2.54 -0.56 3.50 1.02 -1.26 0.95 119.74 122.03 1j5c s LYS 24 Ca 0.07 -1.30 -0.27 0.00 0.02 0.00 0.00 55.97 54.48 1j5c s LYS 24 Cb 0.07 -2.32 -0.01 0.00 -0.52 0.00 0.00 37.83 35.05 1j5c s LYS 24 CO -0.10 0.33 1.70 0.00 -0.92 0.00 0.00 175.35 176.37 1j5c s ALA 25 N -2.27 2.48 0.00 5.17 0.00 -1.26 -1.73 121.76 124.15 1j5c s ALA 25 Ca 0.33 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.73 1j5c s ALA 25 Cb -0.06 -4.21 0.00 0.00 0.00 0.00 0.00 23.12 18.85 1j5c s ALA 25 CO 0.22 -3.42 0.00 0.41 0.00 0.00 0.00 175.76 172.97 1j5c n GLY 26 N 5.53 1.99 3.46 0.00 0.00 0.36 -4.96 105.19 111.57 1j5c n GLY 26 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.14 -4.32 1.61 -0.58 -0.70 -4.58 120.64 109.93 1j5c n GLU 27 Ca 0.00 -1.79 -0.17 0.00 -0.42 0.00 0.00 57.16 54.78 1j5c n GLU 27 Cb 0.00 -1.42 -0.10 0.00 -0.57 0.00 0.00 31.44 29.35 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 -5.53 1.46 0.05 3.49 1.03 -1.26 -0.02 118.70 117.91 1j5c s GLU 28 Ca 0.69 -1.80 0.03 0.00 0.03 0.00 0.00 54.97 53.92 1j5c s GLU 28 Cb -0.04 -0.20 -0.03 0.00 -0.80 0.00 0.00 34.13 33.06 1j5c s GLU 28 CO 0.51 -0.34 -0.10 0.08 -1.33 0.00 0.00 175.26 174.08 1j5c s VAL 29 N -3.73 0.71 -0.07 1.83 1.01 0.53 -3.86 120.40 116.83 1j5c s VAL 29 Ca 0.37 -1.15 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1j5c s VAL 29 Cb 0.07 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.68 1j5c s VAL 29 CO 0.15 -0.34 -0.14 -0.75 0.00 0.00 0.00 175.10 174.02 1j5c s LYS 30 N -1.63 2.69 -0.32 2.72 2.20 -0.93 -1.79 119.74 122.68 1j5c s LYS 30 Ca -0.08 -0.69 0.02 0.00 -0.36 0.00 0.00 55.97 54.86 1j5c s LYS 30 Cb -0.10 -2.43 0.10 0.00 -1.51 0.00 0.00 37.83 33.89 1j5c s LYS 30 CO 0.01 0.53 0.06 -1.58 -0.36 0.00 0.00 175.35 174.01 1j5c s TRP 31 N -0.50 2.99 -0.03 4.03 0.51 -0.90 -0.41 118.94 124.64 1j5c s TRP 31 Ca 0.06 -2.50 -0.15 0.00 -2.12 0.00 0.00 56.10 51.40 1j5c s TRP 31 Cb -0.12 -2.43 -0.05 0.00 -0.81 0.00 0.00 33.47 30.06 1j5c s TRP 31 CO 0.02 -0.91 0.40 0.08 -0.51 0.00 0.00 176.95 176.03 1j5c s VAL 32 N 1.17 5.08 -0.12 4.03 1.01 -0.45 -2.99 120.40 128.13 1j5c s VAL 32 Ca 0.09 0.82 -0.29 0.00 0.00 0.00 0.00 61.98 62.61 1j5c s VAL 32 Cb -0.18 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 1j5c s VAL 32 CO -0.14 0.53 0.98 0.21 0.00 0.00 0.00 175.10 176.69 1j5c s ASN 33 N -0.73 7.20 -0.05 3.32 3.84 -1.26 -1.92 114.94 125.33 1j5c s ASN 33 Ca 0.23 1.48 -0.03 0.00 0.21 0.00 0.00 52.86 54.75 1j5c s ASN 33 Cb -0.16 -2.54 -0.01 0.00 -0.55 0.00 0.00 41.25 37.99 1j5c s ASN 33 CO 0.12 -0.44 -0.06 -1.13 -2.79 0.00 0.00 177.10 172.80 1j5c h ASN 34 N 7.13 0.00 -0.33 -4.21 -1.24 -1.90 -3.39 115.58 111.64 1j5c h ASN 34 Ca -0.31 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.70 1j5c h ASN 34 Cb 1.14 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.19 1j5c h ASN 34 CO 0.86 0.28 0.00 1.17 -1.29 0.00 0.00 177.43 178.45 1j5c n LYS 35 N -3.16 0.00 -2.65 6.67 4.81 -1.20 -4.68 118.16 117.95 1j5c n LYS 35 Ca -0.02 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.24 1j5c n LYS 35 Cb 0.09 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.15 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 -2.19 -4.03 3.14 4.32 -1.26 -4.75 117.00 112.23 1j5c n LEU 36 Ca 0.00 -0.14 -0.36 0.00 -0.02 0.00 0.00 56.01 55.48 1j5c n LEU 36 Cb 0.00 -2.49 0.05 0.00 -1.62 0.00 0.00 43.42 39.35 1j5c n LEU 36 CO 0.00 0.04 -1.43 -1.54 -1.22 0.00 0.00 177.39 173.24 1j5c n SER 37 N -1.50 -5.06 -0.03 -1.43 3.41 -1.26 -4.16 113.62 103.58 1j5c n SER 37 Ca -0.14 0.14 -0.14 0.00 -0.26 0.00 0.00 58.87 58.47 1j5c n SER 37 Cb 0.62 -0.73 -0.11 0.00 -0.26 0.00 0.00 64.21 63.73 1j5c n SER 37 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1j5c h PRO 38 N -1.06 0.11 -3.47 4.33 0.13 -1.89 -3.51 132.00 126.64 1j5c h PRO 38 Ca -0.43 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1j5c h PRO 38 Cb 1.32 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1j5c h PRO 38 CO 0.24 0.84 -0.64 0.72 -0.23 0.00 0.00 178.00 178.92 1j5c n HIS 39 N -4.60 -3.29 -4.56 1.56 8.25 -1.23 -3.97 115.22 107.38 1j5c n HIS 39 Ca -0.09 1.97 -0.29 0.00 -0.26 0.00 0.00 57.72 59.05 1j5c n HIS 39 Cb 0.44 -3.18 -0.09 0.00 1.12 0.00 0.00 29.99 28.28 1j5c n HIS 39 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1j5c s ASN 40 N -0.37 4.07 -0.56 0.41 0.01 -1.26 -3.92 114.94 113.32 1j5c s ASN 40 Ca 0.00 -1.40 0.06 0.00 -0.71 0.00 0.00 52.86 50.81 1j5c s ASN 40 Cb 0.00 -0.11 0.31 0.00 0.41 0.00 0.00 41.25 41.86 1j5c s ASN 40 CO 0.00 -0.61 0.85 -0.38 -1.51 0.00 0.00 177.10 175.45 1j5c n ILE 41 N -1.13 2.30 -2.72 0.60 5.41 -1.26 -4.77 119.36 117.80 1j5c n ILE 41 Ca -0.08 -5.29 -0.40 0.00 1.00 0.00 0.00 62.75 57.98 1j5c n ILE 41 Cb 0.67 -1.47 -0.06 0.00 -0.71 0.00 0.00 39.64 38.07 1j5c n ILE 41 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1j5c s VAL 42 N -3.54 4.07 -0.14 1.39 1.01 -1.24 -1.72 120.40 120.23 1j5c s VAL 42 Ca 0.45 2.03 -0.00 0.00 0.00 0.00 0.00 61.98 64.45 1j5c s VAL 42 Cb 0.25 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 1j5c s VAL 42 CO -0.10 0.46 -0.13 -0.36 0.00 0.00 0.00 175.10 174.97 1j5c s PHE 43 N -1.00 2.82 0.45 5.22 0.40 -1.26 -1.44 117.98 123.15 1j5c s PHE 43 Ca 0.42 -0.73 -0.13 0.00 -0.60 0.00 0.00 56.93 55.89 1j5c s PHE 43 Cb -0.26 -1.87 -0.07 0.00 0.51 0.00 0.00 43.02 41.33 1j5c s PHE 43 CO 0.33 -0.28 0.85 0.00 0.70 0.00 0.00 175.22 176.82 1j5c s ALA 44 N 0.50 3.23 -0.89 5.36 0.00 0.17 -4.66 121.76 125.47 1j5c s ALA 44 Ca -0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.82 1j5c s ALA 44 Cb -0.16 -2.87 0.23 0.00 0.00 0.00 0.00 23.12 20.32 1j5c s ALA 44 CO 0.04 -0.08 0.82 0.00 0.00 0.00 0.00 175.76 176.54 1j5c n ALA 45 N -1.37 3.90 -0.00 0.00 0.00 -1.26 -4.36 120.51 117.42 1j5c n ALA 45 Ca 0.04 -4.62 -0.00 0.00 0.00 0.00 0.00 53.44 48.86 1j5c n ALA 45 Cb 0.54 -1.67 -0.00 0.00 0.00 0.00 0.00 19.45 18.32 1j5c n ALA 45 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1j5c n ASP 46 N 2.12 0.03 -0.33 0.00 2.03 -1.26 -4.64 116.55 114.50 1j5c n ASP 46 Ca 0.23 0.01 0.14 0.00 0.52 0.00 0.00 54.79 55.68 1j5c n ASP 46 Cb 0.37 -0.46 0.59 0.00 -0.72 0.00 0.00 41.12 40.90 1j5c n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j5c n GLY 47 N 1.68 -0.36 3.58 0.27 0.00 -1.26 -4.87 105.19 104.23 1j5c n GLY 47 Ca -0.00 -0.38 -0.26 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.11 1.90 0.67 1.61 1.01 -1.26 -4.82 120.40 117.40 1j5c s VAL 48 Ca 0.37 -2.04 -0.15 0.00 0.00 0.00 0.00 61.98 60.17 1j5c s VAL 48 Cb 0.21 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.70 1j5c s VAL 48 CO 0.38 -0.04 1.12 -1.81 0.00 0.00 0.00 175.10 174.74 1j5c s ASP 49 N -3.65 5.01 0.02 3.32 1.11 -1.26 -4.73 116.67 116.49 1j5c s ASP 49 Ca 0.35 2.03 -0.26 0.00 0.18 0.00 0.00 52.55 54.84 1j5c s ASP 49 Cb 0.08 -2.55 -0.16 0.00 1.07 0.00 0.00 42.92 41.36 1j5c s ASP 49 CO 0.17 -1.70 1.26 0.00 1.18 0.00 0.00 175.17 176.09 1j5c h ALA 50 N -0.02 -0.63 0.09 5.23 0.00 -1.97 0.21 119.26 122.17 1j5c h ALA 50 Ca -0.47 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.27 1j5c h ALA 50 Cb 1.25 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 19.23 1j5c h ALA 50 CO 0.54 -0.71 -0.51 -0.44 0.00 0.00 0.00 179.25 178.12 1j5c h ASP 51 N -0.90 -1.54 -0.27 0.00 5.19 -1.98 0.33 116.42 117.25 1j5c h ASP 51 Ca -0.06 0.17 0.05 0.00 -0.62 0.00 0.00 57.03 56.56 1j5c h ASP 51 Cb 0.58 0.58 -0.08 0.00 0.18 0.00 0.00 39.33 40.59 1j5c h ASP 51 CO 0.11 -0.54 -0.49 0.74 -3.12 0.00 0.00 179.24 175.94 1j5c h THR 52 N -0.72 0.06 -0.89 0.35 2.02 -1.95 0.56 112.91 112.34 1j5c h THR 52 Ca 0.01 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.42 1j5c h THR 52 Cb 0.74 0.06 -0.05 0.00 -1.74 0.00 0.00 68.15 67.16 1j5c h THR 52 CO -0.30 0.00 0.62 0.00 0.37 0.00 0.00 175.52 176.20 1j5c h ALA 53 N 0.05 2.53 -0.67 6.16 0.00 -0.46 0.64 119.26 127.51 1j5c h ALA 53 Ca 0.08 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1j5c h ALA 53 Cb 0.63 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1j5c h ALA 53 CO -0.50 -0.80 0.24 0.00 0.00 0.00 0.00 179.25 178.19 1j5c h ALA 54 N 1.59 0.87 0.33 0.00 0.00 0.41 1.20 119.26 123.66 1j5c h ALA 54 Ca 0.45 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1j5c h ALA 54 Cb 1.45 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1j5c h ALA 54 CO -0.09 0.51 -0.16 0.87 0.00 0.00 0.00 179.25 180.38 1j5c h LYS 55 N 0.96 -0.43 0.00 0.00 1.57 0.17 -2.42 116.57 116.41 1j5c h LYS 55 Ca 0.22 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1j5c h LYS 55 Cb 0.24 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1j5c h LYS 55 CO -0.01 -0.15 0.00 -0.07 -0.57 0.00 0.00 179.45 178.65 1j5c h LEU 56 N -0.70 0.00 -9.56 2.94 3.38 -1.05 -3.42 115.31 106.89 1j5c h LEU 56 Ca -0.05 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.40 1j5c h LEU 56 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1j5c h LEU 56 CO 0.08 0.00 0.50 -0.55 0.09 0.00 0.00 178.44 178.55 1j5c s SER 57 N -4.94 7.21 -0.46 -0.43 0.15 0.41 -4.59 113.70 111.05 1j5c s SER 57 Ca 0.01 2.01 -0.10 0.00 0.70 0.00 0.00 55.95 58.57 1j5c s SER 57 Cb 0.09 -2.59 0.11 0.00 -1.71 0.00 0.00 66.02 61.93 1j5c s SER 57 CO 0.43 -0.32 0.34 -1.00 1.20 0.00 0.00 173.24 173.88 1j5c s HIS 58 N 0.43 3.40 0.09 3.44 3.76 -0.70 -4.86 115.29 120.85 1j5c s HIS 58 Ca 0.53 -1.78 -0.06 0.00 -0.15 0.00 0.00 55.06 53.61 1j5c s HIS 58 Cb -0.28 -3.41 -0.24 0.00 1.11 0.00 0.00 32.58 29.76 1j5c s HIS 58 CO 0.32 -0.97 1.17 0.87 -0.85 0.00 0.00 174.74 175.28 1j5c h LYS 59 N 8.46 0.35 -5.93 1.40 1.79 -1.90 -3.31 116.57 117.43 1j5c h LYS 59 Ca -0.22 -0.52 -0.60 0.00 -2.18 0.00 0.00 60.65 57.14 1j5c h LYS 59 Cb 1.08 0.18 0.17 0.00 -1.58 0.00 0.00 32.23 32.08 1j5c h LYS 59 CO 0.85 1.22 -1.09 0.41 -1.08 0.00 0.00 179.45 179.75 1j5c n GLY 60 N 1.38 -3.07 3.69 3.86 0.00 -1.26 -4.90 105.19 104.89 1j5c n GLY 60 Ca -0.09 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 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 4.80 4.17 -0.20 0.99 2.01 -1.26 -4.75 118.68 124.44 1j5c s LEU 61 Ca 0.57 0.36 -0.08 0.00 0.01 0.00 0.00 54.13 54.98 1j5c s LEU 61 Cb -0.53 -2.31 -0.04 0.00 0.01 0.00 0.00 46.19 43.32 1j5c s LEU 61 CO 0.65 0.04 0.09 0.00 1.01 0.00 0.00 176.35 178.13 1j5c s ALA 62 N 0.94 3.48 0.09 4.21 0.00 -1.25 -4.95 121.76 124.28 1j5c s ALA 62 Ca 0.14 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1j5c s ALA 62 Cb -0.14 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 20.93 1j5c s ALA 62 CO 0.05 0.06 0.00 1.19 0.00 0.00 0.00 175.76 177.06 1j5c n PHE 63 N 3.77 -0.53 -2.65 0.00 3.72 -1.25 -3.58 117.46 116.94 1j5c n PHE 63 Ca -0.16 0.09 -0.38 0.00 -0.05 0.00 0.00 57.45 56.95 1j5c n PHE 63 Cb 0.52 0.20 -0.05 0.00 -0.94 0.00 0.00 39.48 39.21 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 3.25 -1.46 4.37 0.00 -1.26 -4.59 121.76 120.07 1j5c s ALA 64 Ca 0.00 0.67 -0.14 0.00 0.00 0.00 0.00 51.96 52.49 1j5c s ALA 64 Cb 0.00 -3.24 0.04 0.00 0.00 0.00 0.00 23.12 19.91 1j5c s ALA 64 CO 0.00 0.01 2.26 0.00 0.00 0.00 0.00 175.76 178.03 1j5c n ALA 65 N 0.72 5.67 0.00 0.00 0.00 -1.26 -3.44 120.51 122.20 1j5c n ALA 65 Ca 0.01 -3.87 0.00 0.00 0.00 0.00 0.00 53.44 49.58 1j5c n ALA 65 Cb 0.48 -3.51 0.00 0.00 0.00 0.00 0.00 19.45 16.42 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 4.02 0.01 3.55 0.00 0.00 -1.26 -4.89 105.19 106.62 1j5c n GLY 66 Ca 0.53 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 46.07 1j5c n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j5c s GLU 67 N -1.29 2.92 0.09 1.61 2.02 -1.22 -4.91 118.70 117.92 1j5c s GLU 67 Ca 0.00 0.15 0.04 0.00 0.02 0.00 0.00 54.97 55.18 1j5c s GLU 67 Cb 0.00 -4.30 -0.04 0.00 0.10 0.00 0.00 34.13 29.89 1j5c s GLU 67 CO 0.00 -2.44 0.03 -1.54 0.02 0.00 0.00 175.26 171.33 1j5c s SER 68 N 5.86 5.20 0.50 -0.19 1.04 -1.26 -4.55 113.70 120.29 1j5c s SER 68 Ca 0.51 -0.13 0.05 0.00 0.48 0.00 0.00 55.95 56.86 1j5c s SER 68 Cb -0.10 -1.29 0.00 0.00 0.10 0.00 0.00 66.02 64.73 1j5c s SER 68 CO 0.17 0.17 0.28 -0.36 0.98 0.00 0.00 173.24 174.48 1j5c s PHE 69 N -1.36 1.99 0.03 5.02 0.08 -1.16 -4.96 117.98 117.62 1j5c s PHE 69 Ca 0.27 -0.77 -0.08 0.00 0.12 0.00 0.00 56.93 56.48 1j5c s PHE 69 Cb -0.12 -1.90 -0.00 0.00 -0.57 0.00 0.00 43.02 40.43 1j5c s PHE 69 CO 0.20 -0.17 0.15 0.99 -0.10 0.00 0.00 175.22 176.28 1j5c s THR 70 N -2.72 0.11 -0.08 0.64 2.01 -1.26 -2.12 115.64 112.23 1j5c s THR 70 Ca 0.32 -0.92 -0.05 0.00 0.31 0.00 0.00 61.69 61.36 1j5c s THR 70 Cb -0.00 -0.80 0.03 0.00 0.01 0.00 0.00 72.50 71.74 1j5c s THR 70 CO 0.19 -0.50 0.19 -0.94 -0.69 0.00 0.00 174.62 172.86 1j5c s SER 71 N -1.94 -0.19 -0.24 3.53 1.04 -0.74 -4.95 113.70 110.21 1j5c s SER 71 Ca -0.07 0.39 -0.08 0.00 0.48 0.00 0.00 55.95 56.66 1j5c s SER 71 Cb -0.03 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.39 1j5c s SER 71 CO -0.03 -0.11 0.10 -0.89 0.98 0.00 0.00 173.24 173.29 1j5c s THR 72 N 0.67 4.72 -0.72 2.02 2.01 -1.26 -0.35 115.64 122.73 1j5c s THR 72 Ca -0.05 -0.04 -0.22 0.00 0.31 0.00 0.00 61.69 61.69 1j5c s THR 72 Cb -0.06 -3.20 0.08 0.00 0.01 0.00 0.00 72.50 69.33 1j5c s THR 72 CO -0.04 0.35 1.00 -0.36 -0.69 0.00 0.00 174.62 174.89 1j5c s PHE 73 N 1.30 2.75 -0.54 4.92 0.40 0.97 -4.82 117.98 122.96 1j5c s PHE 73 Ca 0.06 -0.71 0.24 0.00 -0.60 0.00 0.00 56.93 55.91 1j5c s PHE 73 Cb -0.15 -4.30 0.35 0.00 0.51 0.00 0.00 43.02 39.44 1j5c s PHE 73 CO 0.05 -1.63 1.38 1.15 0.70 0.00 0.00 175.22 176.87 1j5c h THR 74 N 5.97 0.00 -3.40 0.64 2.02 -1.88 1.05 112.91 117.32 1j5c h THR 74 Ca -0.20 -0.67 -0.65 0.00 0.77 0.00 0.00 66.41 65.67 1j5c h THR 74 Cb 1.06 1.36 -0.25 0.00 -1.74 0.00 0.00 68.15 68.59 1j5c h THR 74 CO 1.18 0.00 -0.69 -0.70 0.37 0.00 0.00 175.52 175.67 1j5c s GLU 75 N -3.20 3.53 -1.12 6.66 2.12 -1.26 -4.64 118.70 120.78 1j5c s GLU 75 Ca 0.06 -0.57 -0.22 0.00 0.36 0.00 0.00 54.97 54.60 1j5c s GLU 75 Cb 0.11 -2.99 -0.00 0.00 0.26 0.00 0.00 34.13 31.51 1j5c s GLU 75 CO 0.71 0.00 1.77 -1.25 -0.54 0.00 0.00 175.26 175.95 1j5c s PRO 76 N 0.99 3.20 0.00 4.30 0.04 -1.26 -4.80 135.00 137.46 1j5c s PRO 76 Ca 0.01 -1.23 0.00 0.00 0.04 0.00 0.00 61.00 59.82 1j5c s PRO 76 Cb -0.15 -5.32 0.00 0.00 0.04 0.00 0.00 34.50 29.07 1j5c s PRO 76 CO 0.01 -2.95 0.00 0.41 0.04 0.00 0.00 177.00 174.51 1j5c n GLY 77 N 6.14 5.09 2.90 0.56 0.00 -1.26 -4.94 105.19 113.67 1j5c n GLY 77 Ca 0.42 -1.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.14 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 0.62 1.03 -0.04 2.61 2.01 -1.26 -2.37 115.64 118.24 1j5c s THR 78 Ca 0.00 -0.39 -0.04 0.00 0.31 0.00 0.00 61.69 61.58 1j5c s THR 78 Cb 0.00 -1.11 -0.04 0.00 0.01 0.00 0.00 72.50 71.36 1j5c s THR 78 CO 0.00 0.28 0.16 -0.31 -0.69 0.00 0.00 174.62 174.06 1j5c s TYR 79 N 1.69 3.53 -0.00 4.92 1.51 -1.21 -4.55 117.35 123.25 1j5c s TYR 79 Ca 0.04 0.39 0.04 0.00 -1.01 0.00 0.00 57.07 56.52 1j5c s TYR 79 Cb -0.13 -1.85 -0.01 0.00 -0.11 0.00 0.00 41.96 39.86 1j5c s TYR 79 CO -0.08 0.66 -0.11 0.99 -1.11 0.00 0.00 175.55 175.90 1j5c s THR 80 N -1.23 0.90 0.10 -0.71 2.01 -1.26 -1.19 115.64 114.26 1j5c s THR 80 Ca 0.24 -0.56 0.04 0.00 0.31 0.00 0.00 61.69 61.72 1j5c s THR 80 Cb -0.12 -0.77 -0.04 0.00 0.01 0.00 0.00 72.50 71.58 1j5c s THR 80 CO 0.14 0.20 -0.10 -0.72 -0.69 0.00 0.00 174.62 173.45 1j5c s TYR 81 N -0.36 1.10 0.16 4.92 1.13 -1.23 0.45 117.35 123.52 1j5c s TYR 81 Ca 0.04 -0.65 -0.19 0.00 -1.41 0.00 0.00 57.07 54.86 1j5c s TYR 81 Cb -0.05 -0.60 0.04 0.00 -1.10 0.00 0.00 41.96 40.26 1j5c s TYR 81 CO -0.00 0.02 0.51 1.52 -2.51 0.00 0.00 175.55 175.08 1j5c s TYR 82 N -2.42 -0.29 0.04 -3.49 1.13 -0.52 -4.57 117.35 107.23 1j5c s TYR 82 Ca 0.06 -0.01 0.02 0.00 -1.41 0.00 0.00 57.07 55.73 1j5c s TYR 82 Cb -0.03 0.40 -0.04 0.00 -1.10 0.00 0.00 41.96 41.19 1j5c s TYR 82 CO 0.00 -0.82 0.07 0.00 -2.51 0.00 0.00 175.55 172.29 1j5c h GLU 84 N 3.68 0.00 0.00 0.00 5.08 -1.91 -3.43 114.58 118.00 1j5c h GLU 84 Ca -0.48 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.81 1j5c h GLU 84 Cb 1.17 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.45 1j5c h GLU 84 CO 0.63 0.21 0.05 -0.35 -1.00 0.00 0.00 179.01 178.55 1j5c n PRO 85 N -4.69 -0.81 -1.51 2.33 -0.04 -1.26 -4.70 135.00 124.32 1j5c n PRO 85 Ca -0.05 -0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.08 1j5c n PRO 85 Cb 0.18 -0.26 0.00 0.00 -0.04 0.00 0.00 33.50 33.38 1j5c n PRO 85 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1j5c n HIS 86 N -2.62 0.00 0.00 0.54 8.25 -1.26 -3.94 115.22 116.19 1j5c n HIS 86 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1j5c n HIS 86 Cb 0.10 -1.38 0.00 0.00 1.12 0.00 0.00 29.99 29.83 1j5c n HIS 86 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1j5c n ARG 87 N -0.69 0.00 -0.04 -0.41 1.74 -1.26 -0.90 116.66 115.10 1j5c n ARG 87 Ca 0.00 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.03 1j5c n ARG 87 Cb 0.37 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.77 1j5c n ARG 87 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j5c n GLY 88 N 0.00 -0.15 2.57 -0.13 0.00 -1.26 -5.07 105.19 101.16 1j5c n GLY 88 Ca 0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.66 -1.90 -0.86 4.61 0.00 -0.08 -4.89 120.51 114.74 1j5c n ALA 89 Ca -0.14 0.06 -0.13 0.00 0.00 0.00 0.00 53.44 53.23 1j5c n ALA 89 Cb 0.66 -2.84 0.01 0.00 0.00 0.00 0.00 19.45 17.29 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 -1.39 3.67 3.57 0.00 0.00 -1.26 -4.41 105.19 105.38 1j5c n GLY 90 Ca -0.03 -0.91 -0.31 0.00 0.00 0.00 0.00 46.02 44.78 1j5c n GLY 90 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1j5c s MET 91 N -1.21 2.83 -0.10 1.61 -1.94 -1.26 -4.69 119.30 114.54 1j5c s MET 91 Ca 0.28 -0.93 -0.30 0.00 -1.71 0.00 0.00 55.69 53.04 1j5c s MET 91 Cb 0.20 -5.22 -0.02 0.00 2.01 0.00 0.00 34.83 31.79 1j5c s MET 91 CO -0.02 -3.32 1.17 0.14 -0.01 0.00 0.00 175.02 172.97 1j5c s VAL 92 N 9.10 4.38 -0.30 -6.03 -7.23 -1.26 -4.70 120.40 114.36 1j5c s VAL 92 Ca 0.64 1.69 -0.18 0.00 -1.81 0.00 0.00 61.98 62.33 1j5c s VAL 92 Cb -0.02 -4.09 0.20 0.00 0.56 0.00 0.00 36.38 33.03 1j5c s VAL 92 CO 0.04 -0.04 1.26 -0.83 -0.31 0.00 0.00 175.10 175.22 1j5c s GLY 93 N 1.49 0.52 -0.02 2.32 0.00 -1.26 -4.48 107.32 105.90 1j5c s GLY 93 Ca 0.53 3.71 -0.07 0.00 0.00 0.00 0.00 44.72 48.89 1j5c s GLY 93 CO 0.19 2.61 0.15 -1.59 0.00 0.00 0.00 173.10 174.46 1j5c s LYS 94 N 0.90 0.42 0.37 2.90 -2.85 0.42 -3.52 119.74 118.38 1j5c s LYS 94 Ca -0.06 -0.23 0.02 0.00 -1.00 0.00 0.00 55.97 54.71 1j5c s LYS 94 Cb -0.03 0.18 -0.02 0.00 -2.06 0.00 0.00 37.83 35.90 1j5c s LYS 94 CO -0.11 -0.09 0.56 0.08 0.10 0.00 0.00 175.35 175.88 1j5c s VAL 95 N -1.00 4.47 -0.06 1.79 1.01 -0.33 -3.57 120.40 122.70 1j5c s VAL 95 Ca -0.11 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 1j5c s VAL 95 Cb -0.06 -3.61 0.04 0.00 0.00 0.00 0.00 36.38 32.74 1j5c s VAL 95 CO 0.01 -0.36 0.10 -0.69 0.00 0.00 0.00 175.10 174.17 1j5c s VAL 96 N -2.34 -0.17 -0.26 2.92 1.01 -1.10 -3.28 120.40 117.19 1j5c s VAL 96 Ca 0.44 0.38 -0.13 0.00 0.00 0.00 0.00 61.98 62.67 1j5c s VAL 96 Cb -0.10 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.03 1j5c s VAL 96 CO 0.35 0.16 0.29 -0.69 0.00 0.00 0.00 175.10 175.21 1j5c s VAL 97 N 2.15 5.25 -2.57 2.92 1.01 -1.00 -0.34 120.40 127.83 1j5c s VAL 97 Ca 0.03 0.42 0.27 0.00 0.00 0.00 0.00 61.98 62.71 1j5c s VAL 97 Cb -0.12 -3.62 0.50 0.00 0.00 0.00 0.00 36.38 33.14 1j5c s VAL 97 CO -0.04 0.23 1.68 -0.67 0.00 0.00 0.00 175.10 176.30