#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 7.43 0.26 0.00 2.20 -1.26 -4.30 114.94 119.26 1j5c s ASN 2 Ca 0.00 1.96 0.07 0.00 -0.94 0.00 0.00 52.86 53.95 1j5c s ASN 2 Cb 0.00 -2.60 -0.03 0.00 -2.00 0.00 0.00 41.25 36.62 1j5c s ASN 2 CO 0.00 -0.00 0.24 0.00 -2.94 0.00 0.00 177.10 174.40 1j5c s ALA 3 N -1.35 3.68 0.02 3.54 0.00 -1.19 -5.00 121.76 121.45 1j5c s ALA 3 Ca 0.46 -1.39 -0.01 0.00 0.00 0.00 0.00 51.96 51.01 1j5c s ALA 3 Cb -0.24 -1.39 -0.02 0.00 0.00 0.00 0.00 23.12 21.48 1j5c s ALA 3 CO 0.30 0.23 -0.01 -0.08 0.00 0.00 0.00 175.76 176.21 1j5c s THR 4 N -2.11 0.09 0.02 0.00 -1.32 -1.26 -2.10 115.64 108.96 1j5c s THR 4 Ca 0.34 -0.78 0.01 0.00 -1.21 0.00 0.00 61.69 60.05 1j5c s THR 4 Cb -0.08 -0.25 -0.01 0.00 -1.51 0.00 0.00 72.50 70.64 1j5c s THR 4 CO 0.26 -0.43 -0.05 -0.69 -2.21 0.00 0.00 174.62 171.50 1j5c s VAL 5 N -1.28 0.35 0.02 5.08 1.01 -0.50 -4.83 120.40 120.24 1j5c s VAL 5 Ca -0.14 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.14 1j5c s VAL 5 Cb -0.09 -0.39 -0.05 0.00 0.00 0.00 0.00 36.38 35.86 1j5c s VAL 5 CO -0.01 -0.21 0.25 -1.59 0.00 0.00 0.00 175.10 173.55 1j5c s LYS 6 N -0.92 3.54 -1.06 2.72 0.00 -1.23 -1.52 119.74 121.27 1j5c s LYS 6 Ca -0.06 -0.16 -0.23 0.00 0.00 0.00 0.00 55.97 55.52 1j5c s LYS 6 Cb -0.06 -3.06 -0.00 0.00 0.00 0.00 0.00 37.83 34.71 1j5c s LYS 6 CO -0.00 0.64 1.74 -1.64 0.00 0.00 0.00 175.35 176.08 1j5c s MET 7 N -1.93 3.15 0.00 1.78 -1.94 0.47 -3.79 119.30 117.04 1j5c s MET 7 Ca 0.29 -1.02 0.00 0.00 -1.71 0.00 0.00 55.69 53.25 1j5c s MET 7 Cb -0.13 -5.28 0.00 0.00 2.01 0.00 0.00 34.83 31.43 1j5c s MET 7 CO 0.18 -2.89 0.00 0.41 -0.01 0.00 0.00 175.02 172.72 1j5c n GLY 8 N 6.44 2.57 3.77 -0.03 0.00 -1.25 -3.27 105.19 113.43 1j5c n GLY 8 Ca 0.40 -1.93 -0.39 0.00 0.00 0.00 0.00 46.02 44.11 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 0.00 7.46 0.25 1.61 0.01 -0.67 -4.24 113.70 118.12 1j5c s SER 9 Ca 0.00 1.82 -0.06 0.00 1.31 0.00 0.00 55.95 59.02 1j5c s SER 9 Cb 0.00 -2.57 0.47 0.00 0.21 0.00 0.00 66.02 64.13 1j5c s SER 9 CO 0.00 0.08 1.64 -0.78 0.41 0.00 0.00 173.24 174.59 1j5c h ASP 10 N 3.79 -0.28 -0.73 2.44 1.82 -1.93 0.45 116.42 121.99 1j5c h ASP 10 Ca -0.46 0.19 0.16 0.00 -0.39 0.00 0.00 57.03 56.53 1j5c h ASP 10 Cb 1.20 0.32 -0.12 0.00 0.68 0.00 0.00 39.33 41.42 1j5c h ASP 10 CO 0.66 -0.17 0.11 -1.28 -1.61 0.00 0.00 179.24 176.96 1j5c h SER 11 N 0.13 -0.13 0.00 2.28 0.87 -2.01 -3.46 113.55 111.23 1j5c h SER 11 Ca 0.43 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 61.15 1j5c h SER 11 Cb 0.77 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.98 1j5c h SER 11 CO -0.65 -0.09 0.00 0.61 -0.53 0.00 0.00 176.83 176.16 1j5c n GLY 12 N -1.37 1.58 3.75 5.77 0.00 0.16 -5.18 105.19 109.89 1j5c n GLY 12 Ca 0.13 -0.68 -0.08 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.72 -0.78 4.61 0.00 -1.25 -4.96 121.76 118.65 1j5c s ALA 13 Ca 0.00 -0.63 -0.04 0.00 0.00 0.00 0.00 51.96 51.29 1j5c s ALA 13 Cb 0.00 0.91 0.12 0.00 0.00 0.00 0.00 23.12 24.15 1j5c s ALA 13 CO 0.00 -0.96 2.54 1.28 0.00 0.00 0.00 175.76 178.62 1j5c n LEU 14 N -0.45 7.08 -3.72 0.00 4.77 -1.26 -4.08 117.00 119.34 1j5c n LEU 14 Ca -0.04 -4.46 -0.14 0.00 -0.03 0.00 0.00 56.01 51.35 1j5c n LEU 14 Cb 0.60 -1.25 -0.14 0.00 -2.33 0.00 0.00 43.42 40.30 1j5c n LEU 14 CO 0.20 1.85 -0.17 0.68 -1.33 0.00 0.00 177.39 178.62 1j5c s VAL 15 N -2.32 -0.13 -0.37 4.08 -7.23 -1.26 -4.30 120.40 108.86 1j5c s VAL 15 Ca 0.56 0.21 -0.28 0.00 -1.81 0.00 0.00 61.98 60.65 1j5c s VAL 15 Cb 0.32 -0.34 0.02 0.00 0.56 0.00 0.00 36.38 36.94 1j5c s VAL 15 CO -0.20 0.09 1.04 -0.36 -0.31 0.00 0.00 175.10 175.36 1j5c s PHE 16 N 1.56 3.05 -0.00 2.82 0.08 -1.26 -1.67 117.98 122.56 1j5c s PHE 16 Ca -0.06 0.95 0.07 0.00 0.12 0.00 0.00 56.93 58.01 1j5c s PHE 16 Cb -0.11 -3.86 -0.02 0.00 -0.57 0.00 0.00 43.02 38.46 1j5c s PHE 16 CO -0.07 -0.91 -0.22 -1.21 -0.10 0.00 0.00 175.22 172.71 1j5c s GLU 17 N 3.79 1.68 0.16 0.44 2.02 -1.25 -1.54 118.70 124.01 1j5c s GLU 17 Ca 0.44 -0.82 -0.30 0.00 0.02 0.00 0.00 54.97 54.31 1j5c s GLU 17 Cb -0.11 -1.67 -0.07 0.00 0.10 0.00 0.00 34.13 32.38 1j5c s GLU 17 CO 0.20 0.45 1.13 -1.25 0.02 0.00 0.00 175.26 175.81 1j5c s PRO 18 N -0.66 4.56 0.15 0.39 0.04 -1.26 -3.52 135.00 134.70 1j5c s PRO 18 Ca 0.08 1.74 -0.17 0.00 0.04 0.00 0.00 61.00 62.70 1j5c s PRO 18 Cb -0.08 -3.28 0.04 0.00 0.04 0.00 0.00 34.50 31.22 1j5c s PRO 18 CO -0.00 0.00 1.73 0.66 0.04 0.00 0.00 177.00 179.43 1j5c h SER 19 N 5.38 0.03 -3.17 6.66 4.64 -1.65 -3.41 113.55 122.03 1j5c h SER 19 Ca -0.44 0.05 -0.66 0.00 -0.47 0.00 0.00 61.79 60.27 1j5c h SER 19 Cb 1.21 0.06 -0.14 0.00 -0.31 0.00 0.00 62.40 63.22 1j5c h SER 19 CO 0.74 0.05 -0.58 -0.89 -0.87 0.00 0.00 176.83 175.28 1j5c s THR 20 N -6.17 4.65 -0.06 2.95 2.01 -1.26 -1.87 115.64 115.89 1j5c s THR 20 Ca -0.13 -0.11 -0.07 0.00 0.31 0.00 0.00 61.69 61.69 1j5c s THR 20 Cb 0.12 -3.01 0.02 0.00 0.01 0.00 0.00 72.50 69.63 1j5c s THR 20 CO 0.70 0.56 0.19 0.68 -0.69 0.00 0.00 174.62 176.07 1j5c s VAL 21 N -0.50 0.01 0.31 3.82 -7.23 -1.24 -5.04 120.40 110.54 1j5c s VAL 21 Ca 0.10 -0.10 -0.26 0.00 -1.81 0.00 0.00 61.98 59.91 1j5c s VAL 21 Cb -0.12 -0.31 -0.10 0.00 0.56 0.00 0.00 36.38 36.42 1j5c s VAL 21 CO 0.02 -0.06 0.93 0.42 -0.31 0.00 0.00 175.10 176.10 1j5c s THR 22 N -0.12 4.24 0.05 5.32 -4.23 -1.26 -2.69 115.64 116.94 1j5c s THR 22 Ca -0.02 1.79 -0.07 0.00 -1.18 0.00 0.00 61.69 62.20 1j5c s THR 22 Cb -0.02 -4.00 -0.00 0.00 1.34 0.00 0.00 72.50 69.81 1j5c s THR 22 CO 0.01 0.15 0.15 -0.51 -0.54 0.00 0.00 174.62 173.87 1j5c s ILE 23 N -1.60 0.13 -0.05 2.99 -1.16 0.23 -4.38 121.20 117.36 1j5c s ILE 23 Ca 0.50 -1.06 -0.03 0.00 -0.51 0.00 0.00 60.65 59.55 1j5c s ILE 23 Cb -0.19 -1.01 -0.04 0.00 0.61 0.00 0.00 42.46 41.84 1j5c s ILE 23 CO 0.24 -0.59 0.10 -0.54 -2.81 0.00 0.00 174.94 171.34 1j5c s LYS 24 N -2.87 3.20 -0.48 3.50 1.02 -1.26 -0.67 119.74 122.18 1j5c s LYS 24 Ca -0.03 -0.36 -0.27 0.00 0.02 0.00 0.00 55.97 55.34 1j5c s LYS 24 Cb 0.00 -2.97 -0.04 0.00 -0.52 0.00 0.00 37.83 34.31 1j5c s LYS 24 CO -0.06 0.70 2.06 0.00 -0.92 0.00 0.00 175.35 177.13 1j5c s ALA 25 N -1.12 2.18 0.00 5.17 0.00 -1.26 -0.67 121.76 126.07 1j5c s ALA 25 Ca 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.03 1j5c s ALA 25 Cb -0.12 -4.24 0.00 0.00 0.00 0.00 0.00 23.12 18.76 1j5c s ALA 25 CO 0.10 -3.74 0.00 0.41 0.00 0.00 0.00 175.76 172.53 1j5c n GLY 26 N 5.75 1.77 3.80 0.00 0.00 0.34 -4.92 105.19 111.93 1j5c n GLY 26 Ca 0.27 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.19 -4.50 1.61 4.71 0.16 -4.77 120.64 116.65 1j5c n GLU 27 Ca 0.00 -2.08 -0.24 0.00 -0.01 0.00 0.00 57.16 54.83 1j5c n GLU 27 Cb 0.00 -1.30 -0.10 0.00 -1.01 0.00 0.00 31.44 29.03 1j5c n GLU 27 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1j5c s GLU 28 N -5.80 1.73 -0.05 3.49 2.02 -1.26 -2.27 118.70 116.56 1j5c s GLU 28 Ca 0.74 -1.88 0.01 0.00 0.02 0.00 0.00 54.97 53.86 1j5c s GLU 28 Cb -0.02 -1.57 0.02 0.00 0.10 0.00 0.00 34.13 32.66 1j5c s GLU 28 CO 0.51 0.14 -0.06 0.08 0.02 0.00 0.00 175.26 175.95 1j5c s VAL 29 N -2.70 0.63 -0.18 2.63 1.01 -0.88 -3.17 120.40 117.74 1j5c s VAL 29 Ca 0.31 -0.18 -0.06 0.00 0.00 0.00 0.00 61.98 62.05 1j5c s VAL 29 Cb 0.02 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 1j5c s VAL 29 CO 0.15 0.24 0.03 -0.75 0.00 0.00 0.00 175.10 174.77 1j5c s LYS 30 N 0.85 3.85 -0.41 2.72 2.20 -0.89 -1.90 119.74 126.16 1j5c s LYS 30 Ca -0.12 -0.41 -0.02 0.00 -0.36 0.00 0.00 55.97 55.06 1j5c s LYS 30 Cb -0.15 -3.13 0.11 0.00 -1.51 0.00 0.00 37.83 33.16 1j5c s LYS 30 CO 0.01 0.22 0.20 -1.58 -0.36 0.00 0.00 175.35 173.84 1j5c s TRP 31 N 0.47 3.60 0.30 4.03 0.51 -0.92 -1.41 118.94 125.52 1j5c s TRP 31 Ca 0.01 -2.51 -0.16 0.00 -2.12 0.00 0.00 56.10 51.33 1j5c s TRP 31 Cb -0.13 -3.19 -0.09 0.00 -0.81 0.00 0.00 33.47 29.25 1j5c s TRP 31 CO 0.01 -0.96 0.72 0.08 -0.51 0.00 0.00 176.95 176.29 1j5c s VAL 32 N 1.05 4.68 0.24 4.03 1.01 -0.58 -3.00 120.40 127.82 1j5c s VAL 32 Ca 0.09 0.98 -0.19 0.00 0.00 0.00 0.00 61.98 62.87 1j5c s VAL 32 Cb -0.22 -3.66 -0.08 0.00 0.00 0.00 0.00 36.38 32.42 1j5c s VAL 32 CO -0.05 -0.10 0.72 0.21 0.00 0.00 0.00 175.10 175.89 1j5c s ASN 33 N -2.15 6.99 0.01 3.32 3.84 -1.26 -0.39 114.94 125.30 1j5c s ASN 33 Ca 0.51 1.38 -0.00 0.00 0.21 0.00 0.00 52.86 54.97 1j5c s ASN 33 Cb -0.12 -2.41 -0.00 0.00 -0.55 0.00 0.00 41.25 38.18 1j5c s ASN 33 CO 0.18 -0.01 -0.00 -3.20 -2.79 0.00 0.00 177.10 171.28 1j5c n ASN 34 N 0.50 0.14 -2.39 -4.21 5.15 -1.24 -4.73 115.26 108.48 1j5c n ASN 34 Ca -0.01 0.02 -0.08 0.00 -0.60 0.00 0.00 54.58 53.91 1j5c n ASN 34 Cb 0.51 -0.07 0.01 0.00 -0.53 0.00 0.00 39.78 39.71 1j5c n ASN 34 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1j5c n LYS 35 N -2.62 0.80 -2.65 1.20 4.76 -1.20 -4.90 118.16 113.54 1j5c n LYS 35 Ca -0.00 -1.79 -0.02 0.00 -2.87 0.00 0.00 58.31 53.63 1j5c n LYS 35 Cb 0.00 2.11 0.01 0.00 -1.84 0.00 0.00 35.03 35.31 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 -5.34 -4.91 -0.35 4.32 -1.26 -4.75 117.00 104.71 1j5c n LEU 36 Ca -0.05 -0.13 -0.30 0.00 -0.02 0.00 0.00 56.01 55.51 1j5c n LEU 36 Cb 0.45 -2.64 -0.04 0.00 -1.62 0.00 0.00 43.42 39.57 1j5c n LEU 36 CO 0.21 -0.67 0.03 -0.94 -1.22 0.00 0.00 177.39 174.80 1j5c s SER 37 N -2.82 6.45 0.90 -1.43 1.04 -1.26 -4.25 113.70 112.33 1j5c s SER 37 Ca 0.06 0.52 0.00 0.00 0.48 0.00 0.00 55.95 57.00 1j5c s SER 37 Cb -0.01 -2.06 0.00 0.00 0.10 0.00 0.00 66.02 64.05 1j5c s SER 37 CO 0.54 0.02 0.00 -0.81 0.98 0.00 0.00 173.24 173.97 1j5c n PRO 38 N -0.18 -0.35 -3.60 4.02 -0.04 -1.26 -5.07 135.00 128.51 1j5c n PRO 38 Ca -0.03 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.35 1j5c n PRO 38 Cb 0.52 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.90 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 -0.90 -0.87 -0.05 0.54 3.76 0.23 -4.93 115.29 113.06 1j5c s HIS 39 Ca 0.00 1.50 0.05 0.00 -0.15 0.00 0.00 55.06 56.46 1j5c s HIS 39 Cb 0.00 0.31 -0.02 0.00 1.11 0.00 0.00 32.58 33.98 1j5c s HIS 39 CO 0.00 -0.54 -0.19 -0.80 -0.85 0.00 0.00 174.74 172.36 1j5c s ASN 40 N 2.64 3.62 -0.64 1.40 -0.87 -1.26 -2.81 114.94 117.02 1j5c s ASN 40 Ca 0.01 -0.33 0.05 0.00 -1.57 0.00 0.00 52.86 51.02 1j5c s ASN 40 Cb -0.13 -0.82 0.19 0.00 -0.02 0.00 0.00 41.25 40.48 1j5c s ASN 40 CO -0.14 0.30 0.54 -0.38 -2.57 0.00 0.00 177.10 174.85 1j5c n ILE 41 N 2.60 1.35 -2.86 0.60 5.41 -1.08 -4.27 119.36 121.11 1j5c n ILE 41 Ca -0.17 -4.74 -0.41 0.00 1.00 0.00 0.00 62.75 58.43 1j5c n ILE 41 Cb 0.52 -2.09 -0.04 0.00 -0.71 0.00 0.00 39.64 37.32 1j5c n ILE 41 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1j5c s VAL 42 N -1.53 4.94 -0.21 1.39 1.01 -1.04 -0.43 120.40 124.53 1j5c s VAL 42 Ca 0.30 1.77 -0.08 0.00 0.00 0.00 0.00 61.98 63.96 1j5c s VAL 42 Cb 0.03 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 1j5c s VAL 42 CO -0.13 0.18 0.09 -0.36 0.00 0.00 0.00 175.10 174.88 1j5c s PHE 43 N 1.07 3.26 0.75 5.22 0.40 -1.26 -1.78 117.98 125.64 1j5c s PHE 43 Ca 0.45 0.07 -0.11 0.00 -0.60 0.00 0.00 56.93 56.74 1j5c s PHE 43 Cb -0.19 -2.15 0.04 0.00 0.51 0.00 0.00 43.02 41.23 1j5c s PHE 43 CO 0.22 0.08 1.08 0.00 0.70 0.00 0.00 175.22 177.30 1j5c s ALA 44 N 0.69 2.44 -0.69 5.36 0.00 0.48 -4.63 121.76 125.41 1j5c s ALA 44 Ca 0.05 -0.09 0.05 0.00 0.00 0.00 0.00 51.96 51.97 1j5c s ALA 44 Cb -0.13 -3.13 0.23 0.00 0.00 0.00 0.00 23.12 20.09 1j5c s ALA 44 CO 0.02 -1.50 0.71 0.00 0.00 0.00 0.00 175.76 174.98 1j5c n ALA 45 N -3.30 3.92 -1.23 0.00 0.00 -1.26 -4.58 120.51 114.07 1j5c n ALA 45 Ca 0.07 -4.70 0.00 0.00 0.00 0.00 0.00 53.44 48.81 1j5c n ALA 45 Cb 0.55 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 1.26 0.00 0.00 0.00 8.00 -1.26 -4.55 116.55 120.00 1j5c n ASP 46 Ca 0.26 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.86 1j5c n ASP 46 Cb 0.39 0.00 0.56 0.00 -0.02 0.00 0.00 41.12 42.04 1j5c n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j5c n GLY 47 N 2.69 -0.94 3.59 0.44 0.00 -1.26 -4.78 105.19 104.93 1j5c n GLY 47 Ca 0.00 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.00 1.87 0.87 1.61 1.01 -1.26 -4.95 120.40 117.55 1j5c s VAL 48 Ca 0.28 -2.01 -0.12 0.00 0.00 0.00 0.00 61.98 60.13 1j5c s VAL 48 Cb 0.13 -2.95 0.11 0.00 0.00 0.00 0.00 36.38 33.68 1j5c s VAL 48 CO 0.22 -0.01 1.12 -1.81 0.00 0.00 0.00 175.10 174.61 1j5c s ASP 49 N -3.67 3.84 -0.03 3.32 1.01 -1.26 -4.75 116.67 115.13 1j5c s ASP 49 Ca 0.35 1.13 -0.23 0.00 0.71 0.00 0.00 52.55 54.51 1j5c s ASP 49 Cb 0.09 -1.77 -0.23 0.00 1.01 0.00 0.00 42.92 42.03 1j5c s ASP 49 CO 0.17 -2.36 1.07 0.00 0.21 0.00 0.00 175.17 174.27 1j5c h ALA 50 N -1.36 0.06 0.25 5.23 0.00 -1.97 -1.77 119.26 119.69 1j5c h ALA 50 Ca -0.49 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 53.94 1j5c h ALA 50 Cb 1.31 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1j5c h ALA 50 CO 0.60 0.13 -0.12 -0.44 0.00 0.00 0.00 179.25 179.43 1j5c h ASP 51 N -0.38 -0.28 -0.98 0.00 5.19 -1.97 1.00 116.42 119.00 1j5c h ASP 51 Ca -0.03 -0.15 0.15 0.00 -0.62 0.00 0.00 57.03 56.37 1j5c h ASP 51 Cb 1.03 0.07 -0.09 0.00 0.18 0.00 0.00 39.33 40.52 1j5c h ASP 51 CO 0.06 -0.00 0.62 0.74 -3.12 0.00 0.00 179.24 177.54 1j5c h THR 52 N -0.57 0.83 0.00 0.35 2.02 -1.96 0.36 112.91 113.94 1j5c h THR 52 Ca -0.03 -0.29 -0.15 0.00 0.77 0.00 0.00 66.41 66.71 1j5c h THR 52 Cb 0.42 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.70 1j5c h THR 52 CO 0.06 0.16 -0.70 0.00 0.37 0.00 0.00 175.52 175.40 1j5c h ALA 53 N 1.58 0.59 -0.37 6.16 0.00 -1.08 -2.41 119.26 123.74 1j5c h ALA 53 Ca 0.51 -0.63 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1j5c h ALA 53 Cb 0.67 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1j5c h ALA 53 CO -0.29 0.87 -0.10 0.00 0.00 0.00 0.00 179.25 179.73 1j5c h ALA 54 N 1.30 1.13 0.00 0.00 0.00 0.49 1.50 119.26 123.68 1j5c h ALA 54 Ca -0.01 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.43 1j5c h ALA 54 Cb 1.47 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1j5c h ALA 54 CO 0.09 0.55 -0.87 -0.22 0.00 0.00 0.00 179.25 178.79 1j5c h LYS 55 N 0.59 0.00 -0.01 0.00 1.63 -0.79 -3.04 116.57 114.94 1j5c h LYS 55 Ca 0.11 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 1j5c h LYS 55 Cb 0.53 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.16 1j5c h LYS 55 CO 0.03 0.87 -0.16 1.28 -3.45 0.00 0.00 179.45 178.02 1j5c n LEU 56 N -3.35 1.54 -4.66 5.20 4.77 -0.87 -4.83 117.00 114.80 1j5c n LEU 56 Ca 0.00 -0.49 -0.38 0.00 -0.03 0.00 0.00 56.01 55.11 1j5c n LEU 56 Cb 0.88 -0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 41.84 1j5c n LEU 56 CO 0.45 0.27 0.01 -0.55 -1.33 0.00 0.00 177.39 176.25 1j5c s SER 57 N -2.26 6.33 -0.51 -1.43 0.15 0.51 -4.40 113.70 112.08 1j5c s SER 57 Ca 0.29 0.38 -0.14 0.00 0.70 0.00 0.00 55.95 57.17 1j5c s SER 57 Cb 0.20 -2.19 0.12 0.00 -1.71 0.00 0.00 66.02 62.44 1j5c s SER 57 CO 0.43 -0.04 0.45 -1.00 1.20 0.00 0.00 173.24 174.28 1j5c s HIS 58 N 1.29 3.28 0.45 3.44 3.76 0.43 -4.80 115.29 123.14 1j5c s HIS 58 Ca 0.15 -1.36 0.31 0.00 -0.15 0.00 0.00 55.06 54.01 1j5c s HIS 58 Cb -0.14 -3.64 1.42 0.00 1.11 0.00 0.00 32.58 31.33 1j5c s HIS 58 CO 0.07 -0.98 1.64 0.87 -0.85 0.00 0.00 174.74 175.49 1j5c h LYS 59 N 8.78 0.10 0.00 1.40 1.79 -1.93 -2.71 116.57 124.00 1j5c h LYS 59 Ca -0.28 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 1j5c h LYS 59 Cb 1.10 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 1j5c h LYS 59 CO 0.98 0.07 0.00 0.41 -1.08 0.00 0.00 179.45 179.83 1j5c n GLY 60 N -1.56 2.71 1.74 3.86 0.00 -1.26 -4.68 105.19 106.00 1j5c n GLY 60 Ca 0.36 -1.23 -0.01 0.00 0.00 0.00 0.00 46.02 45.13 1j5c n GLY 60 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1j5c n LEU 61 N 0.00 -0.57 -4.38 0.99 -0.00 -1.24 -4.92 117.00 106.88 1j5c n LEU 61 Ca 0.00 -1.71 -0.34 0.00 -0.00 0.00 0.00 56.01 53.97 1j5c n LEU 61 Cb 0.00 0.51 -0.14 0.00 -0.00 0.00 0.00 43.42 43.79 1j5c n LEU 61 CO 0.00 1.22 -0.42 0.00 -0.00 0.00 0.00 177.39 178.20 1j5c s ALA 62 N 0.04 2.74 0.00 1.47 0.00 -1.12 -4.88 121.76 120.00 1j5c s ALA 62 Ca 0.03 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.05 1j5c s ALA 62 Cb 0.15 -1.39 0.00 0.00 0.00 0.00 0.00 23.12 21.88 1j5c s ALA 62 CO -0.04 0.09 0.00 1.97 0.00 0.00 0.00 175.76 177.77 1j5c n PHE 63 N 3.81 -1.46 -2.77 0.00 -1.74 -1.26 0.76 117.46 114.79 1j5c n PHE 63 Ca -0.18 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.28 1j5c n PHE 63 Cb 0.52 0.36 -0.04 0.00 1.52 0.00 0.00 39.48 41.85 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 -1.73 3.19 -0.76 1.98 0.00 -1.26 -4.78 121.76 118.40 1j5c s ALA 64 Ca 0.00 -0.82 -0.31 0.00 0.00 0.00 0.00 51.96 50.83 1j5c s ALA 64 Cb 0.00 -3.72 -0.16 0.00 0.00 0.00 0.00 23.12 19.24 1j5c s ALA 64 CO 0.00 -2.19 2.54 0.00 0.00 0.00 0.00 175.76 176.11 1j5c n ALA 65 N 7.41 0.51 0.00 0.00 0.00 -1.26 -2.06 120.51 125.10 1j5c n ALA 65 Ca 0.06 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1j5c n ALA 65 Cb 0.48 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 17.36 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 6.41 1.59 3.68 0.00 0.00 -1.26 -5.09 105.19 110.51 1j5c n GLY 66 Ca 0.54 -0.13 -0.42 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 4.35 0.04 1.61 0.41 -0.87 -4.98 118.70 119.25 1j5c s GLU 67 Ca 0.00 1.23 0.04 0.00 -0.41 0.00 0.00 54.97 55.83 1j5c s GLU 67 Cb 0.00 -3.57 -0.02 0.00 -1.78 0.00 0.00 34.13 28.76 1j5c s GLU 67 CO 0.00 -0.36 -0.13 -1.12 -0.49 0.00 0.00 175.26 173.16 1j5c s SER 68 N 1.13 1.47 0.46 -0.19 0.01 -1.26 -4.12 113.70 111.20 1j5c s SER 68 Ca 0.43 -0.45 0.08 0.00 1.31 0.00 0.00 55.95 57.32 1j5c s SER 68 Cb -0.17 -0.08 0.01 0.00 0.21 0.00 0.00 66.02 65.99 1j5c s SER 68 CO 0.14 -0.00 0.52 -0.36 0.41 0.00 0.00 173.24 173.94 1j5c s PHE 69 N -0.89 2.42 0.05 2.43 0.08 -1.16 -4.95 117.98 115.97 1j5c s PHE 69 Ca -0.00 -0.53 -0.07 0.00 0.12 0.00 0.00 56.93 56.44 1j5c s PHE 69 Cb -0.08 -2.23 -0.01 0.00 -0.57 0.00 0.00 43.02 40.14 1j5c s PHE 69 CO 0.01 -0.43 0.14 0.99 -0.10 0.00 0.00 175.22 175.83 1j5c s THR 70 N -2.49 0.13 0.31 0.64 2.01 -1.26 -2.16 115.64 112.82 1j5c s THR 70 Ca 0.51 -1.08 -0.00 0.00 0.31 0.00 0.00 61.69 61.43 1j5c s THR 70 Cb -0.06 -1.02 -0.01 0.00 0.01 0.00 0.00 72.50 71.41 1j5c s THR 70 CO 0.31 -0.60 0.38 -0.94 -0.69 0.00 0.00 174.62 173.08 1j5c s SER 71 N -2.30 0.95 -0.18 3.53 1.04 -0.80 -4.94 113.70 111.00 1j5c s SER 71 Ca -0.02 -1.51 -0.04 0.00 0.48 0.00 0.00 55.95 54.86 1j5c s SER 71 Cb 0.01 0.59 0.09 0.00 0.10 0.00 0.00 66.02 66.80 1j5c s SER 71 CO -0.06 -1.16 0.24 -0.89 0.98 0.00 0.00 173.24 172.35 1j5c s THR 72 N -3.38 -0.37 -0.69 2.02 2.01 -1.26 -2.07 115.64 111.90 1j5c s THR 72 Ca 0.34 0.03 -0.21 0.00 0.31 0.00 0.00 61.69 62.16 1j5c s THR 72 Cb 0.01 -0.60 0.08 0.00 0.01 0.00 0.00 72.50 72.01 1j5c s THR 72 CO 0.20 -0.08 0.96 -0.36 -0.69 0.00 0.00 174.62 174.65 1j5c s PHE 73 N 2.37 2.78 -0.12 4.92 0.40 -0.96 -4.87 117.98 122.50 1j5c s PHE 73 Ca 0.06 -0.73 -0.17 0.00 -0.60 0.00 0.00 56.93 55.48 1j5c s PHE 73 Cb -0.14 -4.26 -0.15 0.00 0.51 0.00 0.00 43.02 38.98 1j5c s PHE 73 CO -0.11 -1.58 0.45 1.15 0.70 0.00 0.00 175.22 175.83 1j5c h THR 74 N 5.95 1.05 -3.33 0.64 2.02 -1.90 0.99 112.91 118.33 1j5c h THR 74 Ca -0.22 -1.79 -0.54 0.00 0.77 0.00 0.00 66.41 64.63 1j5c h THR 74 Cb 1.07 1.99 -0.02 0.00 -1.74 0.00 0.00 68.15 69.44 1j5c h THR 74 CO 1.16 0.36 0.46 -1.61 0.37 0.00 0.00 175.52 176.26 1j5c s GLU 75 N -1.94 4.50 -1.04 6.66 2.02 -1.26 -4.29 118.70 123.35 1j5c s GLU 75 Ca -0.11 1.48 -0.23 0.00 0.02 0.00 0.00 54.97 56.13 1j5c s GLU 75 Cb -0.02 -3.47 0.00 0.00 0.10 0.00 0.00 34.13 30.75 1j5c s GLU 75 CO 0.40 -0.16 1.72 -1.25 0.02 0.00 0.00 175.26 176.00 1j5c s PRO 76 N 1.30 3.14 0.00 0.39 0.04 -1.26 -4.82 135.00 133.79 1j5c s PRO 76 Ca 0.52 -0.95 0.00 0.00 0.04 0.00 0.00 61.00 60.61 1j5c s PRO 76 Cb -0.22 -5.26 0.00 0.00 0.04 0.00 0.00 34.50 29.06 1j5c s PRO 76 CO 0.26 -2.85 0.00 0.41 0.04 0.00 0.00 177.00 174.86 1j5c n GLY 77 N 6.54 5.43 2.71 0.56 0.00 -1.26 -4.94 105.19 114.24 1j5c n GLY 77 Ca 0.39 -1.17 -0.28 0.00 0.00 0.00 0.00 46.02 44.95 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 0.97 0.57 0.45 2.61 2.01 -1.26 -2.31 115.64 118.67 1j5c s THR 78 Ca 0.00 -0.84 -0.14 0.00 0.31 0.00 0.00 61.69 61.02 1j5c s THR 78 Cb 0.00 -1.23 -0.07 0.00 0.01 0.00 0.00 72.50 71.21 1j5c s THR 78 CO 0.00 -0.41 0.87 -0.31 -0.69 0.00 0.00 174.62 174.07 1j5c s TYR 79 N 1.81 3.45 -0.00 4.92 1.51 -1.13 -4.81 117.35 123.10 1j5c s TYR 79 Ca 0.03 1.26 0.01 0.00 -1.01 0.00 0.00 57.07 57.37 1j5c s TYR 79 Cb -0.17 -2.62 -0.00 0.00 -0.11 0.00 0.00 41.96 39.06 1j5c s TYR 79 CO -0.17 -0.21 -0.04 0.99 -1.11 0.00 0.00 175.55 175.02 1j5c s THR 80 N -2.45 0.31 0.03 -0.71 2.01 -1.26 -2.12 115.64 111.45 1j5c s THR 80 Ca 0.55 -0.16 -0.01 0.00 0.31 0.00 0.00 61.69 62.38 1j5c s THR 80 Cb -0.10 -0.27 -0.03 0.00 0.01 0.00 0.00 72.50 72.11 1j5c s THR 80 CO 0.30 0.09 -0.01 -0.72 -0.69 0.00 0.00 174.62 173.59 1j5c s TYR 81 N -0.03 0.34 0.07 4.92 -0.85 -1.22 -0.39 117.35 120.19 1j5c s TYR 81 Ca 0.01 -0.71 -0.02 0.00 -0.52 0.00 0.00 57.07 55.83 1j5c s TYR 81 Cb -0.02 -0.25 -0.03 0.00 0.38 0.00 0.00 41.96 42.03 1j5c s TYR 81 CO -0.00 -0.28 0.02 1.52 -1.52 0.00 0.00 175.55 175.29 1j5c s TYR 82 N -2.43 0.54 -0.86 -3.49 1.13 -0.74 -4.46 117.35 107.04 1j5c s TYR 82 Ca -0.07 -1.03 0.01 0.00 -1.41 0.00 0.00 57.07 54.57 1j5c s TYR 82 Cb -0.03 -0.36 0.32 0.00 -1.10 0.00 0.00 41.96 40.80 1j5c s TYR 82 CO -0.04 -0.44 1.42 0.00 -2.51 0.00 0.00 175.55 173.98 1j5c h GLU 84 N 3.93 -0.17 -3.26 0.00 4.22 -1.88 -2.66 114.58 114.77 1j5c h GLU 84 Ca 0.34 0.01 -0.51 0.00 0.08 0.00 0.00 59.36 59.29 1j5c h GLU 84 Cb 0.44 0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.75 1j5c h GLU 84 CO 1.05 -0.11 3.15 -0.35 -2.18 0.00 0.00 179.01 180.58 1j5c n PRO 85 N -5.37 2.78 0.06 0.92 -0.04 -1.26 -3.56 135.00 128.53 1j5c n PRO 85 Ca 0.01 -1.79 0.00 0.00 -0.04 0.00 0.00 63.50 61.68 1j5c n PRO 85 Cb 0.29 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.14 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 3.98 -2.31 0.00 0.54 -0.00 -1.00 -4.79 115.22 111.65 1j5c n HIS 86 Ca 0.59 0.38 0.00 0.00 0.46 0.00 0.00 57.72 59.15 1j5c n HIS 86 Cb 0.18 1.22 0.00 0.00 -0.12 0.00 0.00 29.99 31.26 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 -2.80 0.00 -1.76 1.57 0.63 -1.23 -5.03 116.66 108.04 1j5c n ARG 87 Ca 0.00 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.57 1j5c n ARG 87 Cb 0.00 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 32.88 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 -0.23 4.82 0.04 5.14 0.00 -1.26 -4.53 105.19 109.16 1j5c n GLY 88 Ca 0.00 -1.91 -0.02 0.00 0.00 0.00 0.00 46.02 44.09 1j5c n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j5c h ALA 89 N 4.22 0.00 0.00 4.61 0.00 -1.94 -3.50 119.26 122.65 1j5c h ALA 89 Ca 0.63 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1j5c h ALA 89 Cb 0.45 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1j5c h ALA 89 CO 1.32 0.19 0.00 0.41 0.00 0.00 0.00 179.25 181.17 1j5c n GLY 90 N 1.74 -0.22 3.45 0.00 0.00 -1.26 -5.08 105.19 103.82 1j5c n GLY 90 Ca -0.03 -0.17 -0.44 0.00 0.00 0.00 0.00 46.02 45.38 1j5c n GLY 90 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1j5c n MET 91 N 0.00 3.36 0.00 1.61 2.81 -1.26 -4.85 117.12 118.79 1j5c n MET 91 Ca 0.00 -3.77 0.00 0.00 -1.81 0.00 0.00 57.70 52.12 1j5c n MET 91 Cb 0.00 -3.09 0.00 0.00 -0.71 0.00 0.00 33.22 29.42 1j5c n MET 91 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1j5c n VAL 92 N 4.75 0.00 -2.02 2.03 0.31 -1.26 -3.94 118.33 118.20 1j5c n VAL 92 Ca 0.38 0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.81 1j5c n VAL 92 Cb 0.43 -0.34 0.00 0.00 -0.91 0.00 0.00 33.84 33.02 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 2.41 -5.29 3.05 2.92 0.00 -1.26 -4.23 105.19 102.79 1j5c n GLY 93 Ca 0.00 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.29 0.44 0.16 1.61 -2.85 -0.78 -3.43 119.74 113.60 1j5c s LYS 94 Ca 0.00 -0.63 0.05 0.00 -1.00 0.00 0.00 55.97 54.39 1j5c s LYS 94 Cb 0.00 0.17 -0.04 0.00 -2.06 0.00 0.00 37.83 35.90 1j5c s LYS 94 CO 0.00 -0.09 0.14 0.08 0.10 0.00 0.00 175.35 175.57 1j5c s VAL 95 N -1.88 4.49 -0.06 1.79 1.01 -0.90 -3.66 120.40 121.18 1j5c s VAL 95 Ca -0.11 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 60.79 1j5c s VAL 95 Cb -0.06 -3.29 0.02 0.00 0.00 0.00 0.00 36.38 33.05 1j5c s VAL 95 CO -0.02 -0.10 -0.04 -0.69 0.00 0.00 0.00 175.10 174.25 1j5c s VAL 96 N -1.75 0.55 0.25 2.92 1.01 -1.09 -2.82 120.40 119.47 1j5c s VAL 96 Ca 0.31 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1j5c s VAL 96 Cb -0.10 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 1j5c s VAL 96 CO 0.23 0.25 0.44 -0.69 0.00 0.00 0.00 175.10 175.33 1j5c s VAL 97 N 1.32 5.18 0.00 2.92 1.01 -0.98 -0.60 120.40 129.26 1j5c s VAL 97 Ca -0.04 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1j5c s VAL 97 Cb -0.14 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.46 1j5c s VAL 97 CO -0.02 -0.31 0.03 -0.67 0.00 0.00 0.00 175.10 174.13