#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j5c s ASN 2 N 0.00 1.31 -0.25 0.00 2.20 -1.26 -4.78 114.94 112.15 1j5c s ASN 2 Ca 0.00 -1.63 -0.03 0.00 -0.94 0.00 0.00 52.86 50.26 1j5c s ASN 2 Cb 0.00 0.62 0.11 0.00 -2.00 0.00 0.00 41.25 39.98 1j5c s ASN 2 CO 0.00 -1.19 0.23 0.00 -2.94 0.00 0.00 177.10 173.20 1j5c s ALA 3 N -3.21 -0.19 0.18 3.54 0.00 -1.21 -4.94 121.76 115.93 1j5c s ALA 3 Ca 0.36 -0.21 0.10 0.00 0.00 0.00 0.00 51.96 52.20 1j5c s ALA 3 Cb 0.01 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.56 1j5c s ALA 3 CO 0.24 -1.49 -0.16 -0.08 0.00 0.00 0.00 175.76 174.27 1j5c s THR 4 N 2.30 2.85 -0.27 0.00 -1.32 -1.26 -2.56 115.64 115.37 1j5c s THR 4 Ca 0.08 -1.77 -0.03 0.00 -1.21 0.00 0.00 61.69 58.76 1j5c s THR 4 Cb -0.15 -2.38 0.11 0.00 -1.51 0.00 0.00 72.50 68.57 1j5c s THR 4 CO -0.25 -0.09 0.20 -0.69 -2.21 0.00 0.00 174.62 171.59 1j5c s VAL 5 N -1.62 -0.24 0.52 5.08 1.01 -1.06 -4.64 120.40 119.45 1j5c s VAL 5 Ca 0.23 -0.52 -0.23 0.00 0.00 0.00 0.00 61.98 61.46 1j5c s VAL 5 Cb -0.09 -0.91 -0.06 0.00 0.00 0.00 0.00 36.38 35.32 1j5c s VAL 5 CO 0.13 -0.52 1.35 2.29 0.00 0.00 0.00 175.10 178.34 1j5c n LYS 6 N 5.29 1.77 -2.39 2.72 2.85 -1.13 -4.01 118.16 123.26 1j5c n LYS 6 Ca -0.04 0.65 -0.43 0.00 -1.05 0.00 0.00 58.31 57.43 1j5c n LYS 6 Cb 0.45 -2.55 0.00 0.00 -0.65 0.00 0.00 35.03 32.28 1j5c n LYS 6 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1j5c n MET 7 N -0.78 3.14 0.00 -1.58 2.81 0.00 -3.53 117.12 117.19 1j5c n MET 7 Ca 0.09 -3.17 0.00 0.00 -1.81 0.00 0.00 57.70 52.81 1j5c n MET 7 Cb 0.44 -3.39 0.00 0.00 -0.71 0.00 0.00 33.22 29.56 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 4.86 0.18 3.13 3.03 0.00 -1.18 -3.53 105.19 111.68 1j5c n GLY 8 Ca 0.48 -1.54 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 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 0.03 0.16 1.61 0.01 -0.93 -2.52 113.70 108.06 1j5c s SER 9 Ca 0.00 -0.25 -0.19 0.00 1.31 0.00 0.00 55.95 56.83 1j5c s SER 9 Cb 0.00 0.23 0.08 0.00 0.21 0.00 0.00 66.02 66.54 1j5c s SER 9 CO 0.00 -0.42 1.65 -0.78 0.41 0.00 0.00 173.24 174.10 1j5c h ASP 10 N 4.05 -0.54 0.51 2.44 1.82 -1.96 -2.57 116.42 120.17 1j5c h ASP 10 Ca -0.31 0.13 -0.02 0.00 -0.39 0.00 0.00 57.03 56.44 1j5c h ASP 10 Cb 1.19 0.31 -0.01 0.00 0.68 0.00 0.00 39.33 41.50 1j5c h ASP 10 CO 0.43 -0.19 -0.39 -1.28 -1.61 0.00 0.00 179.24 176.19 1j5c h SER 11 N -0.09 -1.02 0.00 2.28 0.87 -2.03 -3.47 113.55 110.09 1j5c h SER 11 Ca 0.18 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1j5c h SER 11 Cb 0.37 0.32 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1j5c h SER 11 CO -0.42 -0.56 0.00 0.61 -0.53 0.00 0.00 176.83 175.93 1j5c n GLY 12 N -1.46 -1.12 3.32 5.77 0.00 -0.97 -5.17 105.19 105.56 1j5c n GLY 12 Ca -0.11 0.38 -0.29 0.00 0.00 0.00 0.00 46.02 46.00 1j5c n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j5c s ALA 13 N 0.00 2.13 -2.06 4.61 0.00 -1.25 -4.91 121.76 120.28 1j5c s ALA 13 Ca 0.00 -1.20 0.12 0.00 0.00 0.00 0.00 51.96 50.87 1j5c s ALA 13 Cb 0.00 -0.45 0.49 0.00 0.00 0.00 0.00 23.12 23.16 1j5c s ALA 13 CO 0.00 0.50 1.35 1.47 0.00 0.00 0.00 175.76 179.08 1j5c n LEU 14 N 1.87 0.93 -4.83 0.00 -0.00 -1.26 -2.20 117.00 111.51 1j5c n LEU 14 Ca -0.17 -0.43 -0.38 0.00 -0.00 0.00 0.00 56.01 55.03 1j5c n LEU 14 Cb 0.52 -0.09 -0.06 0.00 -0.00 0.00 0.00 43.42 43.79 1j5c n LEU 14 CO 0.23 0.22 0.10 0.68 -0.00 0.00 0.00 177.39 178.62 1j5c s VAL 15 N -1.81 5.04 -0.52 1.47 -7.23 -1.26 -4.67 120.40 111.42 1j5c s VAL 15 Ca 0.20 0.83 -0.29 0.00 -1.81 0.00 0.00 61.98 60.92 1j5c s VAL 15 Cb 0.10 -3.71 0.03 0.00 0.56 0.00 0.00 36.38 33.36 1j5c s VAL 15 CO 0.15 0.57 1.21 -0.36 -0.31 0.00 0.00 175.10 176.36 1j5c s PHE 16 N -0.99 2.65 -0.09 2.82 0.08 -1.26 -3.12 117.98 118.06 1j5c s PHE 16 Ca 0.24 0.57 0.03 0.00 0.12 0.00 0.00 56.93 57.89 1j5c s PHE 16 Cb -0.17 -4.46 -0.01 0.00 -0.57 0.00 0.00 43.02 37.82 1j5c s PHE 16 CO 0.13 -1.52 -0.20 -2.00 -0.10 0.00 0.00 175.22 171.52 1j5c s GLU 17 N 4.79 2.98 0.88 0.44 2.12 -1.05 -2.53 118.70 126.33 1j5c s GLU 17 Ca 0.48 -0.82 -0.12 0.00 0.36 0.00 0.00 54.97 54.87 1j5c s GLU 17 Cb -0.08 -2.37 0.12 0.00 0.26 0.00 0.00 34.13 32.06 1j5c s GLU 17 CO 0.29 0.27 1.13 -1.25 -0.54 0.00 0.00 175.26 175.16 1j5c s PRO 18 N 0.13 1.43 0.01 4.30 0.04 -1.26 -2.82 135.00 136.84 1j5c s PRO 18 Ca -0.11 0.40 0.02 0.00 0.04 0.00 0.00 61.00 61.35 1j5c s PRO 18 Cb -0.16 -1.86 -0.25 0.00 0.04 0.00 0.00 34.50 32.27 1j5c s PRO 18 CO 0.06 -2.02 0.88 0.66 0.04 0.00 0.00 177.00 176.62 1j5c h SER 19 N -1.37 0.22 -3.65 6.66 4.64 -1.85 -3.46 113.55 114.75 1j5c h SER 19 Ca -0.49 -0.33 -0.54 0.00 -0.47 0.00 0.00 61.79 59.96 1j5c h SER 19 Cb 1.31 -0.07 -0.32 0.00 -0.31 0.00 0.00 62.40 63.01 1j5c h SER 19 CO 0.61 1.27 -0.83 -0.89 -0.87 0.00 0.00 176.83 176.13 1j5c s THR 20 N -2.63 1.29 -0.00 2.95 2.01 -1.25 -0.10 115.64 117.90 1j5c s THR 20 Ca -0.06 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.35 1j5c s THR 20 Cb 0.08 -1.14 -0.01 0.00 0.01 0.00 0.00 72.50 71.44 1j5c s THR 20 CO 0.84 0.38 -0.06 0.68 -0.69 0.00 0.00 174.62 175.77 1j5c s VAL 21 N 0.34 0.48 -0.16 3.82 -7.23 -1.25 -5.06 120.40 111.34 1j5c s VAL 21 Ca -0.09 -0.28 -0.18 0.00 -1.81 0.00 0.00 61.98 59.62 1j5c s VAL 21 Cb -0.13 -0.41 -0.04 0.00 0.56 0.00 0.00 36.38 36.36 1j5c s VAL 21 CO 0.03 0.12 0.47 0.42 -0.31 0.00 0.00 175.10 175.84 1j5c s THR 22 N -0.17 5.16 0.15 5.32 -4.23 -1.26 -2.22 115.64 118.40 1j5c s THR 22 Ca 0.02 0.90 0.07 0.00 -1.18 0.00 0.00 61.69 61.50 1j5c s THR 22 Cb -0.02 -3.81 -0.04 0.00 1.34 0.00 0.00 72.50 69.97 1j5c s THR 22 CO -0.00 0.26 -0.15 -0.51 -0.54 0.00 0.00 174.62 173.68 1j5c s ILE 23 N 1.11 1.53 0.34 2.99 2.07 -0.01 -4.71 121.20 124.53 1j5c s ILE 23 Ca 0.24 -1.91 0.06 0.00 -1.41 0.00 0.00 60.65 57.63 1j5c s ILE 23 Cb -0.15 -1.76 -0.01 0.00 0.13 0.00 0.00 42.46 40.67 1j5c s ILE 23 CO 0.09 -0.47 0.48 -0.54 -1.91 0.00 0.00 174.94 172.60 1j5c s LYS 24 N -3.04 3.10 -1.31 3.50 -0.14 -1.26 0.18 119.74 120.77 1j5c s LYS 24 Ca 0.14 -1.01 -0.18 0.00 -1.36 0.00 0.00 55.97 53.56 1j5c s LYS 24 Cb -0.03 -2.81 0.07 0.00 -1.68 0.00 0.00 37.83 33.37 1j5c s LYS 24 CO 0.04 0.03 1.77 0.00 -0.76 0.00 0.00 175.35 176.44 1j5c n ALA 25 N -1.67 3.68 0.00 5.17 0.00 -1.26 -2.58 120.51 123.86 1j5c n ALA 25 Ca 0.01 -3.85 0.00 0.00 0.00 0.00 0.00 53.44 49.59 1j5c n ALA 25 Cb 0.58 -3.60 0.00 0.00 0.00 0.00 0.00 19.45 16.43 1j5c n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j5c n GLY 26 N 5.32 0.47 3.78 0.00 0.00 0.14 -4.75 105.19 110.16 1j5c n GLY 26 Ca 0.49 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.22 1j5c n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j5c s GLU 27 N 0.00 1.29 0.23 1.61 0.41 -1.06 -4.71 118.70 116.47 1j5c s GLU 27 Ca 0.00 0.38 0.11 0.00 -0.41 0.00 0.00 54.97 55.05 1j5c s GLU 27 Cb 0.00 -1.85 -0.05 0.00 -1.78 0.00 0.00 34.13 30.45 1j5c s GLU 27 CO 0.00 -2.11 -0.20 -1.21 -0.49 0.00 0.00 175.26 171.25 1j5c s GLU 28 N -5.23 1.53 0.27 1.61 2.02 -1.26 -2.51 118.70 115.12 1j5c s GLU 28 Ca 0.63 -1.63 0.10 0.00 0.02 0.00 0.00 54.97 54.08 1j5c s GLU 28 Cb -0.15 -1.62 -0.04 0.00 0.10 0.00 0.00 34.13 32.42 1j5c s GLU 28 CO 0.54 0.31 -0.00 0.08 0.02 0.00 0.00 175.26 176.21 1j5c s VAL 29 N -2.33 3.47 -0.14 2.63 1.01 0.44 -3.30 120.40 122.18 1j5c s VAL 29 Ca 0.25 -1.91 -0.04 0.00 0.00 0.00 0.00 61.98 60.28 1j5c s VAL 29 Cb -0.05 -2.85 0.05 0.00 0.00 0.00 0.00 36.38 33.53 1j5c s VAL 29 CO 0.11 -0.38 0.08 -0.75 0.00 0.00 0.00 175.10 174.17 1j5c s LYS 30 N -3.68 0.05 -0.54 2.72 2.20 -1.06 -2.44 119.74 116.99 1j5c s LYS 30 Ca 0.31 0.02 -0.16 0.00 -0.36 0.00 0.00 55.97 55.79 1j5c s LYS 30 Cb -0.06 -1.50 0.13 0.00 -1.51 0.00 0.00 37.83 34.89 1j5c s LYS 30 CO 0.20 -0.58 0.50 -1.58 -0.36 0.00 0.00 175.35 173.53 1j5c s TRP 31 N 2.14 3.27 -0.07 4.03 0.51 -0.90 -2.55 118.94 125.37 1j5c s TRP 31 Ca 0.03 -1.34 -0.19 0.00 -2.12 0.00 0.00 56.10 52.48 1j5c s TRP 31 Cb -0.15 -3.79 -0.05 0.00 -0.81 0.00 0.00 33.47 28.68 1j5c s TRP 31 CO -0.07 -1.02 0.52 0.54 -0.51 0.00 0.00 176.95 176.41 1j5c s VAL 32 N 1.55 5.08 -0.70 4.03 0.11 -1.26 -2.94 120.40 126.27 1j5c s VAL 32 Ca 0.04 1.07 -0.27 0.00 -2.93 0.00 0.00 61.98 59.88 1j5c s VAL 32 Cb -0.29 -3.86 0.03 0.00 -1.53 0.00 0.00 36.38 30.73 1j5c s VAL 32 CO 0.03 0.38 1.27 0.54 -3.33 0.00 0.00 175.10 173.98 1j5c s ASN 33 N 0.21 6.21 0.07 3.54 4.22 -1.24 -0.82 114.94 127.13 1j5c s ASN 33 Ca 0.28 -0.32 -0.15 0.00 -2.14 0.00 0.00 52.86 50.54 1j5c s ASN 33 Cb -0.16 -2.56 -0.19 0.00 1.28 0.00 0.00 41.25 39.62 1j5c s ASN 33 CO 0.13 -1.77 1.24 -1.13 -2.04 0.00 0.00 177.10 173.53 1j5c h ASN 34 N 10.01 0.85 0.00 3.54 -1.24 -1.92 -3.38 115.58 123.43 1j5c h ASN 34 Ca -0.27 -0.68 0.00 0.00 0.71 0.00 0.00 56.30 56.06 1j5c h ASN 34 Cb 1.05 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.85 1j5c h ASN 34 CO 1.26 1.40 0.00 0.29 -1.29 0.00 0.00 177.43 179.09 1j5c n LYS 35 N -3.99 -0.53 -2.72 6.67 4.76 -1.23 -4.96 118.16 116.15 1j5c n LYS 35 Ca -0.09 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.25 1j5c n LYS 35 Cb 0.76 0.00 0.05 0.00 -1.84 0.00 0.00 35.03 34.00 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 -4.46 -4.86 -0.35 7.99 -1.26 -4.76 117.00 109.29 1j5c n LEU 36 Ca 0.00 -0.49 -0.32 0.00 -0.01 0.00 0.00 56.01 55.20 1j5c n LEU 36 Cb 0.00 -2.37 -0.05 0.00 -0.11 0.00 0.00 43.42 40.89 1j5c n LEU 36 CO 0.00 0.08 0.38 -0.44 -1.51 0.00 0.00 177.39 175.90 1j5c s SER 37 N -3.30 6.68 0.65 -1.43 0.01 -1.26 -4.30 113.70 110.75 1j5c s SER 37 Ca 0.30 1.16 0.00 0.00 1.31 0.00 0.00 55.95 58.72 1j5c s SER 37 Cb -0.04 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.87 1j5c s SER 37 CO 0.51 -0.22 0.00 -0.81 0.41 0.00 0.00 173.24 173.12 1j5c n PRO 38 N -0.56 0.02 -3.53 12.44 -0.04 -1.26 -5.10 135.00 136.97 1j5c n PRO 38 Ca 0.03 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.35 1j5c n PRO 38 Cb 0.53 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.95 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 -0.65 -0.47 -0.25 0.54 3.76 -0.22 -4.94 115.29 113.05 1j5c s HIS 39 Ca 0.00 0.49 -0.21 0.00 -0.15 0.00 0.00 55.06 55.19 1j5c s HIS 39 Cb 0.00 0.40 0.07 0.00 1.11 0.00 0.00 32.58 34.16 1j5c s HIS 39 CO 0.00 -0.70 0.65 -0.80 -0.85 0.00 0.00 174.74 173.05 1j5c s ASN 40 N -2.12 -0.73 -0.67 1.40 0.01 -1.26 -2.21 114.94 109.36 1j5c s ASN 40 Ca -0.04 1.35 0.05 0.00 -0.71 0.00 0.00 52.86 53.51 1j5c s ASN 40 Cb -0.00 1.33 0.24 0.00 0.41 0.00 0.00 41.25 43.22 1j5c s ASN 40 CO -0.04 -0.23 0.74 -0.38 -1.51 0.00 0.00 177.10 175.68 1j5c n ILE 41 N 3.15 2.39 -2.88 0.60 -0.00 -1.24 -4.34 119.36 117.03 1j5c n ILE 41 Ca -0.16 -5.20 -0.40 0.00 -0.00 0.00 0.00 62.75 56.98 1j5c n ILE 41 Cb 0.56 -2.11 -0.05 0.00 -0.00 0.00 0.00 39.64 38.04 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 -2.35 4.70 -0.14 1.39 1.01 -1.19 -1.47 120.40 122.34 1j5c s VAL 42 Ca 0.37 1.80 -0.04 0.00 0.00 0.00 0.00 61.98 64.12 1j5c s VAL 42 Cb 0.12 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 1j5c s VAL 42 CO -0.03 0.32 -0.03 -0.36 0.00 0.00 0.00 175.10 175.00 1j5c s PHE 43 N 0.14 3.06 0.13 5.22 0.40 -1.26 -2.01 117.98 123.66 1j5c s PHE 43 Ca 0.43 -0.18 -0.06 0.00 -0.60 0.00 0.00 56.93 56.51 1j5c s PHE 43 Cb -0.21 -1.93 -0.06 0.00 0.51 0.00 0.00 43.02 41.33 1j5c s PHE 43 CO 0.25 0.07 0.39 0.00 0.70 0.00 0.00 175.22 176.64 1j5c s ALA 44 N 0.13 3.76 -0.98 5.36 0.00 -1.05 -4.67 121.76 124.31 1j5c s ALA 44 Ca -0.00 -0.50 -0.05 0.00 0.00 0.00 0.00 51.96 51.41 1j5c s ALA 44 Cb -0.13 -2.18 0.24 0.00 0.00 0.00 0.00 23.12 21.04 1j5c s ALA 44 CO 0.02 0.63 0.91 0.00 0.00 0.00 0.00 175.76 177.32 1j5c s ALA 45 N -1.61 4.43 -0.03 0.00 0.00 -1.26 -4.52 121.76 118.77 1j5c s ALA 45 Ca 0.39 -3.82 -0.03 0.00 0.00 0.00 0.00 51.96 48.51 1j5c s ALA 45 Cb -0.12 -3.14 -0.01 0.00 0.00 0.00 0.00 23.12 19.85 1j5c s ALA 45 CO 0.23 -2.17 -0.05 -0.25 0.00 0.00 0.00 175.76 173.51 1j5c n ASP 46 N 2.55 0.31 -1.47 0.00 8.00 -1.26 -4.60 116.55 120.08 1j5c n ASP 46 Ca 0.22 0.10 0.07 0.00 0.71 0.00 0.00 54.79 55.89 1j5c n ASP 46 Cb 0.38 -0.54 0.31 0.00 -0.02 0.00 0.00 41.12 41.25 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 1.54 2.42 3.22 0.44 0.00 -1.26 -4.91 105.19 106.63 1j5c n GLY 47 Ca -0.02 -0.72 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.01 0.10 0.71 1.61 1.01 -1.26 -4.88 120.40 115.67 1j5c s VAL 48 Ca 0.43 -2.00 -0.14 0.00 0.00 0.00 0.00 61.98 60.28 1j5c s VAL 48 Cb 0.30 -2.51 0.03 0.00 0.00 0.00 0.00 36.38 34.19 1j5c s VAL 48 CO 0.18 -0.01 1.14 -1.81 0.00 0.00 0.00 175.10 174.60 1j5c s ASP 49 N -3.18 4.62 -0.14 3.32 1.01 -1.26 -4.72 116.67 116.31 1j5c s ASP 49 Ca 0.38 2.09 -0.27 0.00 0.71 0.00 0.00 52.55 55.46 1j5c s ASP 49 Cb 0.07 -2.56 -0.24 0.00 1.01 0.00 0.00 42.92 41.20 1j5c s ASP 49 CO 0.12 -1.96 0.69 0.00 0.21 0.00 0.00 175.17 174.22 1j5c h ALA 50 N -0.35 0.02 -0.09 5.23 0.00 -1.97 -2.75 119.26 119.35 1j5c h ALA 50 Ca -0.46 -0.52 0.02 0.00 0.00 0.00 0.00 54.91 53.95 1j5c h ALA 50 Cb 1.26 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 1j5c h ALA 50 CO 0.52 0.05 -0.32 -0.44 0.00 0.00 0.00 179.25 179.06 1j5c h ASP 51 N -1.00 -1.02 -0.95 0.00 3.32 -1.98 1.21 116.42 116.01 1j5c h ASP 51 Ca -0.02 0.12 0.18 0.00 0.02 0.00 0.00 57.03 57.33 1j5c h ASP 51 Cb 0.96 0.40 -0.10 0.00 0.22 0.00 0.00 39.33 40.81 1j5c h ASP 51 CO -0.01 -0.28 0.54 0.74 -1.72 0.00 0.00 179.24 178.51 1j5c h THR 52 N -0.33 0.70 0.00 0.35 2.02 -1.98 1.09 112.91 114.75 1j5c h THR 52 Ca 0.02 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 66.93 1j5c h THR 52 Cb 0.39 -0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 66.74 1j5c h THR 52 CO -0.26 0.13 -0.13 0.00 0.37 0.00 0.00 175.52 175.62 1j5c h ALA 53 N 1.62 1.14 0.00 6.16 0.00 -0.72 -0.95 119.26 126.51 1j5c h ALA 53 Ca 0.54 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.24 1j5c h ALA 53 Cb 0.82 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1j5c h ALA 53 CO -0.39 0.17 -0.41 0.00 0.00 0.00 0.00 179.25 178.62 1j5c h ALA 54 N 1.87 1.00 0.00 0.00 0.00 1.01 1.43 119.26 124.57 1j5c h ALA 54 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1j5c h ALA 54 Cb 0.47 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1j5c h ALA 54 CO 0.02 0.52 -0.83 1.63 0.00 0.00 0.00 179.25 180.59 1j5c n LYS 55 N -3.58 0.27 0.00 0.00 4.01 -0.47 -3.73 118.16 114.65 1j5c n LYS 55 Ca -0.00 0.03 0.07 0.00 -0.51 0.00 0.00 58.31 57.90 1j5c n LYS 55 Cb 0.53 -1.63 -0.07 0.00 -0.51 0.00 0.00 35.03 33.35 1j5c n LYS 55 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1j5c n LEU 56 N -1.99 0.74 -4.58 -0.35 4.77 -0.55 -4.80 117.00 110.24 1j5c n LEU 56 Ca 0.03 -0.52 -0.42 0.00 -0.03 0.00 0.00 56.01 55.07 1j5c n LEU 56 Cb 0.43 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.46 1j5c n LEU 56 CO 0.38 0.18 0.43 -0.55 -1.33 0.00 0.00 177.39 176.50 1j5c s SER 57 N -2.30 6.47 -0.58 -1.43 0.15 0.49 -4.52 113.70 111.98 1j5c s SER 57 Ca 0.06 0.23 -0.22 0.00 0.70 0.00 0.00 55.95 56.73 1j5c s SER 57 Cb 0.11 -2.34 0.06 0.00 -1.71 0.00 0.00 66.02 62.14 1j5c s SER 57 CO 0.57 -0.61 0.83 -1.00 1.20 0.00 0.00 173.24 174.23 1j5c s HIS 58 N 2.79 2.85 -0.54 3.44 3.76 -0.54 -4.80 115.29 122.24 1j5c s HIS 58 Ca 0.26 -0.43 0.02 0.00 -0.15 0.00 0.00 55.06 54.76 1j5c s HIS 58 Cb -0.14 -3.99 0.53 0.00 1.11 0.00 0.00 32.58 30.10 1j5c s HIS 58 CO 0.15 -1.35 1.90 1.63 -0.85 0.00 0.00 174.74 176.22 1j5c n LYS 59 N 7.05 2.52 0.00 1.40 5.02 -1.26 -3.19 118.16 129.70 1j5c n LYS 59 Ca -0.04 -3.24 0.00 0.00 -2.02 0.00 0.00 58.31 53.02 1j5c n LYS 59 Cb 0.46 -2.21 0.00 0.00 -0.02 0.00 0.00 35.03 33.25 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 -1.01 1.90 3.51 0.72 0.00 -1.26 -5.12 105.19 103.94 1j5c n GLY 60 Ca 0.59 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.91 -0.12 0.99 1.02 -1.26 -4.86 118.68 113.54 1j5c s LEU 61 Ca 0.00 1.20 0.03 0.00 0.02 0.00 0.00 54.13 55.37 1j5c s LEU 61 Cb 0.00 2.02 0.00 0.00 0.02 0.00 0.00 46.19 48.23 1j5c s LEU 61 CO 0.00 -0.17 -0.21 0.00 0.02 0.00 0.00 176.35 175.99 1j5c s ALA 62 N 2.72 2.29 0.00 4.21 0.00 -0.94 -4.94 121.76 125.09 1j5c s ALA 62 Ca -0.03 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1j5c s ALA 62 Cb -0.10 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 22.06 1j5c s ALA 62 CO -0.18 0.16 0.00 1.97 0.00 0.00 0.00 175.76 177.71 1j5c n PHE 63 N 3.73 -0.15 -2.35 0.00 -1.74 -1.26 -1.05 117.46 114.64 1j5c n PHE 63 Ca -0.19 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.27 1j5c n PHE 63 Cb 0.52 0.33 -0.02 0.00 1.52 0.00 0.00 39.48 41.83 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 3.15 0.18 1.98 0.00 -1.26 -4.76 121.76 119.39 1j5c s ALA 64 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 51.96 51.63 1j5c s ALA 64 Cb 0.00 -3.89 -0.17 0.00 0.00 0.00 0.00 23.12 19.06 1j5c s ALA 64 CO 0.00 -2.19 0.61 0.00 0.00 0.00 0.00 175.76 174.18 1j5c n ALA 65 N 8.47 -2.87 0.00 0.00 0.00 -1.26 -1.77 120.51 123.08 1j5c n ALA 65 Ca 0.16 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.06 1j5c n ALA 65 Cb 0.47 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1j5c n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j5c n GLY 66 N 1.92 2.05 3.61 0.00 0.00 -1.26 -5.04 105.19 106.47 1j5c n GLY 66 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.09 3.80 0.13 1.61 0.41 -0.73 -4.94 118.70 118.90 1j5c s GLU 67 Ca 0.00 0.75 0.01 0.00 -0.41 0.00 0.00 54.97 55.33 1j5c s GLU 67 Cb 0.00 -3.88 -0.04 0.00 -1.78 0.00 0.00 34.13 28.43 1j5c s GLU 67 CO 0.00 -1.28 -0.02 -1.54 -0.49 0.00 0.00 175.26 171.93 1j5c s SER 68 N 2.44 1.07 0.41 -0.19 1.04 -1.26 -3.66 113.70 113.55 1j5c s SER 68 Ca 0.49 -1.10 0.04 0.00 0.48 0.00 0.00 55.95 55.86 1j5c s SER 68 Cb -0.09 0.13 -0.05 0.00 0.10 0.00 0.00 66.02 66.10 1j5c s SER 68 CO 0.28 -0.54 0.04 -0.36 0.98 0.00 0.00 173.24 173.64 1j5c s PHE 69 N -3.69 2.10 0.03 5.02 0.08 -1.15 -4.97 117.98 115.40 1j5c s PHE 69 Ca 0.18 -0.91 0.01 0.00 0.12 0.00 0.00 56.93 56.34 1j5c s PHE 69 Cb 0.06 -1.51 -0.02 0.00 -0.57 0.00 0.00 43.02 40.98 1j5c s PHE 69 CO -0.00 0.16 -0.06 0.99 -0.10 0.00 0.00 175.22 176.21 1j5c s THR 70 N -2.99 0.39 -0.10 0.64 2.01 -1.26 -2.12 115.64 112.21 1j5c s THR 70 Ca 0.27 -0.98 -0.05 0.00 0.31 0.00 0.00 61.69 61.24 1j5c s THR 70 Cb 0.07 -0.48 0.05 0.00 0.01 0.00 0.00 72.50 72.14 1j5c s THR 70 CO 0.13 -0.39 0.23 -0.94 -0.69 0.00 0.00 174.62 172.96 1j5c s SER 71 N -1.46 -0.00 0.02 3.53 1.04 -1.02 -4.93 113.70 110.87 1j5c s SER 71 Ca -0.11 0.49 -0.01 0.00 0.48 0.00 0.00 55.95 56.80 1j5c s SER 71 Cb -0.10 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.42 1j5c s SER 71 CO -0.00 -0.19 0.18 -0.89 0.98 0.00 0.00 173.24 173.32 1j5c s THR 72 N 1.63 5.31 -0.33 2.02 2.01 -1.26 -0.42 115.64 124.60 1j5c s THR 72 Ca -0.06 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 61.64 1j5c s THR 72 Cb -0.11 -3.53 0.10 0.00 0.01 0.00 0.00 72.50 68.97 1j5c s THR 72 CO -0.08 0.24 0.10 -0.36 -0.69 0.00 0.00 174.62 173.83 1j5c s PHE 73 N -1.40 2.06 -0.78 4.92 0.08 -1.04 -4.90 117.98 116.91 1j5c s PHE 73 Ca 0.30 -1.99 0.26 0.00 0.12 0.00 0.00 56.93 55.62 1j5c s PHE 73 Cb -0.13 -1.92 0.65 0.00 -0.57 0.00 0.00 43.02 41.05 1j5c s PHE 73 CO 0.22 -0.88 1.56 2.41 -0.10 0.00 0.00 175.22 178.44 1j5c n THR 74 N 4.65 0.31 -5.11 0.64 -1.04 -1.26 0.25 114.28 112.72 1j5c n THR 74 Ca -0.00 -0.19 -0.32 0.00 -2.04 0.00 0.00 64.05 61.50 1j5c n THR 74 Cb 0.41 -0.25 -0.15 0.00 -1.82 0.00 0.00 70.33 68.52 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 -3.09 2.29 0.44 -2.82 2.12 -1.26 -4.62 118.70 111.76 1j5c s GLU 75 Ca 0.10 -0.82 -0.22 0.00 0.36 0.00 0.00 54.97 54.38 1j5c s GLU 75 Cb 0.15 -2.20 -0.09 0.00 0.26 0.00 0.00 34.13 32.25 1j5c s GLU 75 CO 0.65 0.59 1.05 -1.25 -0.54 0.00 0.00 175.26 175.76 1j5c s PRO 76 N -0.67 4.00 0.00 4.30 0.04 -1.26 -4.90 135.00 136.51 1j5c s PRO 76 Ca 0.11 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1j5c s PRO 76 Cb -0.10 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.08 1j5c s PRO 76 CO -0.00 -0.28 0.00 0.41 0.04 0.00 0.00 177.00 177.17 1j5c n GLY 77 N 0.10 1.48 3.24 0.56 0.00 -1.14 -4.99 105.19 104.44 1j5c n GLY 77 Ca 0.07 -1.21 -0.38 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.98 3.72 0.25 2.61 2.01 -1.26 -0.51 115.64 120.48 1j5c s THR 78 Ca 0.00 -1.34 -0.04 0.00 0.31 0.00 0.00 61.69 60.62 1j5c s THR 78 Cb 0.00 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.26 1j5c s THR 78 CO 0.00 -0.31 0.49 -0.31 -0.69 0.00 0.00 174.62 173.81 1j5c s TYR 79 N 1.36 3.48 0.10 4.92 1.51 -1.08 -4.84 117.35 122.79 1j5c s TYR 79 Ca 0.00 0.55 0.05 0.00 -1.01 0.00 0.00 57.07 56.66 1j5c s TYR 79 Cb -0.21 -2.02 -0.04 0.00 -0.11 0.00 0.00 41.96 39.58 1j5c s TYR 79 CO 0.01 0.25 -0.12 0.99 -1.11 0.00 0.00 175.55 175.57 1j5c s THR 80 N -1.99 1.12 -0.10 -0.71 2.01 -1.26 -0.99 115.64 113.71 1j5c s THR 80 Ca 0.42 -1.61 -0.14 0.00 0.31 0.00 0.00 61.69 60.67 1j5c s THR 80 Cb -0.11 -1.37 0.03 0.00 0.01 0.00 0.00 72.50 71.06 1j5c s THR 80 CO 0.29 -0.45 0.37 -0.72 -0.69 0.00 0.00 174.62 173.42 1j5c s TYR 81 N -2.13 -0.35 0.34 4.92 1.13 -1.24 -2.52 117.35 117.49 1j5c s TYR 81 Ca 0.05 0.79 0.01 0.00 -1.41 0.00 0.00 57.07 56.52 1j5c s TYR 81 Cb -0.05 0.14 -0.00 0.00 -1.10 0.00 0.00 41.96 40.94 1j5c s TYR 81 CO 0.02 -0.27 0.03 2.48 -2.51 0.00 0.00 175.55 175.30 1j5c n TYR 82 N 2.34 0.60 -4.52 -3.49 0.18 -0.85 -4.42 117.16 107.00 1j5c n TYR 82 Ca -0.16 -1.80 -0.25 0.00 1.88 0.00 0.00 57.90 57.57 1j5c n TYR 82 Cb 0.57 -0.16 -0.17 0.00 -0.38 0.00 0.00 39.34 39.20 1j5c n TYR 82 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1j5c h GLU 84 N 7.09 -0.04 -3.35 0.00 4.22 -1.98 -3.36 114.58 117.17 1j5c h GLU 84 Ca -0.31 0.00 -0.52 0.00 0.08 0.00 0.00 59.36 58.62 1j5c h GLU 84 Cb 1.18 0.01 0.02 0.00 0.50 0.00 0.00 28.75 30.46 1j5c h GLU 84 CO 0.47 0.63 3.10 -0.35 -2.18 0.00 0.00 179.01 180.68 1j5c n PRO 85 N -4.72 2.71 -3.19 0.92 -0.04 -1.26 -4.63 135.00 124.78 1j5c n PRO 85 Ca -0.08 -1.81 0.01 0.00 -0.04 0.00 0.00 63.50 61.59 1j5c n PRO 85 Cb 0.33 -2.64 -0.02 0.00 -0.04 0.00 0.00 33.50 31.13 1j5c n PRO 85 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1j5c s HIS 86 N 3.00 -1.47 0.30 0.54 3.76 -1.26 -4.84 115.29 115.33 1j5c s HIS 86 Ca 0.52 1.50 -0.02 0.00 -0.15 0.00 0.00 55.06 56.92 1j5c s HIS 86 Cb 0.14 0.44 0.65 0.00 1.11 0.00 0.00 32.58 34.92 1j5c s HIS 86 CO -0.04 -0.86 1.57 -0.09 -0.85 0.00 0.00 174.74 174.46 1j5c h ARG 87 N 8.04 0.00 0.00 1.40 2.43 -1.92 -3.45 114.38 120.89 1j5c h ARG 87 Ca -0.21 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 1j5c h ARG 87 Cb 1.16 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 1j5c h ARG 87 CO 0.26 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 179.13 1j5c n GLY 88 N -1.55 0.50 0.10 2.80 0.00 -1.26 -5.04 105.19 100.74 1j5c n GLY 88 Ca 0.21 -0.56 0.11 0.00 0.00 0.00 0.00 46.02 45.79 1j5c n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j5c n ALA 89 N 0.00 2.58 0.00 4.61 0.00 -1.26 -4.91 120.51 121.53 1j5c n ALA 89 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1j5c n ALA 89 Cb 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 1.20 -0.08 3.02 0.00 0.00 -1.26 -5.10 105.19 102.96 1j5c n GLY 90 Ca -0.00 -0.37 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 1j5c n GLY 90 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1j5c s MET 91 N 0.00 2.06 0.00 1.61 0.00 -1.26 -4.70 119.30 117.01 1j5c s MET 91 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 55.69 55.20 1j5c s MET 91 Cb 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 34.83 33.00 1j5c s MET 91 CO 0.00 -0.12 0.00 0.28 0.00 0.00 0.00 175.02 175.18 1j5c n VAL 92 N 4.40 0.00 -1.04 10.11 0.31 -1.26 -4.63 118.33 126.22 1j5c n VAL 92 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1j5c n VAL 92 Cb 0.51 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.44 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 0.04 -4.29 3.25 2.92 0.00 -1.26 -4.57 105.19 101.27 1j5c n GLY 93 Ca 0.00 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 1j5c n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j5c s LYS 94 N -2.60 1.26 0.33 1.61 1.02 0.86 -3.69 119.74 118.52 1j5c s LYS 94 Ca 0.00 -0.99 0.07 0.00 0.02 0.00 0.00 55.97 55.07 1j5c s LYS 94 Cb 0.00 -1.41 -0.01 0.00 -0.52 0.00 0.00 37.83 35.89 1j5c s LYS 94 CO 0.00 0.35 0.44 0.08 -0.92 0.00 0.00 175.35 175.30 1j5c s VAL 95 N -0.91 4.04 -0.17 3.17 1.01 -0.16 -3.78 120.40 123.59 1j5c s VAL 95 Ca 0.06 -1.05 -0.04 0.00 0.00 0.00 0.00 61.98 60.96 1j5c s VAL 95 Cb -0.09 -3.39 0.08 0.00 0.00 0.00 0.00 36.38 32.98 1j5c s VAL 95 CO 0.02 -0.16 0.20 -0.69 0.00 0.00 0.00 175.10 174.47 1j5c s VAL 96 N -2.19 -0.29 -0.06 2.92 1.01 -0.94 -2.64 120.40 118.21 1j5c s VAL 96 Ca 0.44 -0.01 -0.15 0.00 0.00 0.00 0.00 61.98 62.26 1j5c s VAL 96 Cb -0.09 -0.58 -0.05 0.00 0.00 0.00 0.00 36.38 35.66 1j5c s VAL 96 CO 0.30 -0.13 0.39 -0.69 0.00 0.00 0.00 175.10 174.98 1j5c s VAL 97 N 2.31 5.14 -2.00 2.92 1.01 0.33 -0.83 120.40 129.28 1j5c s VAL 97 Ca 0.05 0.79 0.26 0.00 0.00 0.00 0.00 61.98 63.08 1j5c s VAL 97 Cb -0.15 -3.71 0.74 0.00 0.00 0.00 0.00 36.38 33.26 1j5c s VAL 97 CO -0.10 0.48 1.91 -0.67 0.00 0.00 0.00 175.10 176.72