#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 1.25 -0.24 0.00 2.20 -1.26 -4.67 114.94 112.22 1j5c s ASN 2 Ca 0.00 -1.62 -0.03 0.00 -0.94 0.00 0.00 52.86 50.27 1j5c s ASN 2 Cb 0.00 0.58 0.11 0.00 -2.00 0.00 0.00 41.25 39.94 1j5c s ASN 2 CO 0.00 -1.13 0.23 0.00 -2.94 0.00 0.00 177.10 173.25 1j5c s ALA 3 N -3.37 -0.18 0.09 3.54 0.00 -1.18 -4.93 121.76 115.73 1j5c s ALA 3 Ca 0.37 -0.10 0.09 0.00 0.00 0.00 0.00 51.96 52.31 1j5c s ALA 3 Cb 0.02 -1.46 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 1j5c s ALA 3 CO 0.23 -1.41 -0.20 -0.08 0.00 0.00 0.00 175.76 174.31 1j5c s THR 4 N 2.30 2.72 -0.08 0.00 -1.32 -1.26 -2.31 115.64 115.69 1j5c s THR 4 Ca 0.08 -1.43 -0.03 0.00 -1.21 0.00 0.00 61.69 59.10 1j5c s THR 4 Cb -0.15 -2.20 0.04 0.00 -1.51 0.00 0.00 72.50 68.67 1j5c s THR 4 CO -0.21 0.18 0.07 -0.69 -2.21 0.00 0.00 174.62 171.76 1j5c s VAL 5 N -1.05 -0.07 -1.02 5.08 1.01 -0.98 -4.82 120.40 118.55 1j5c s VAL 5 Ca 0.16 0.24 -0.24 0.00 0.00 0.00 0.00 61.98 62.14 1j5c s VAL 5 Cb -0.10 -0.30 -0.06 0.00 0.00 0.00 0.00 36.38 35.92 1j5c s VAL 5 CO 0.08 0.05 1.94 -1.59 0.00 0.00 0.00 175.10 175.57 1j5c s LYS 6 N 2.15 2.55 -0.99 2.72 -2.85 -1.26 -3.45 119.74 118.61 1j5c s LYS 6 Ca 0.04 -0.66 -0.26 0.00 -1.00 0.00 0.00 55.97 54.08 1j5c s LYS 6 Cb -0.13 -5.14 -0.20 0.00 -2.06 0.00 0.00 37.83 30.30 1j5c s LYS 6 CO -0.05 -3.61 2.21 0.00 0.10 0.00 0.00 175.35 174.01 1j5c s MET 7 N 6.75 1.30 0.00 1.78 0.23 -0.93 -4.27 119.30 124.16 1j5c s MET 7 Ca 0.69 -0.13 0.00 0.00 -1.03 0.00 0.00 55.69 55.22 1j5c s MET 7 Cb -0.04 -4.92 0.00 0.00 -1.53 0.00 0.00 34.83 28.34 1j5c s MET 7 CO 0.05 -5.18 0.00 0.41 -2.03 0.00 0.00 175.02 168.26 1j5c n GLY 8 N 6.37 3.03 3.76 3.16 0.00 -1.26 -3.55 105.19 116.69 1j5c n GLY 8 Ca 0.43 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 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 7.34 0.20 1.61 0.01 -1.11 -4.31 113.70 117.44 1j5c s SER 9 Ca 0.00 2.21 -0.11 0.00 1.31 0.00 0.00 55.95 59.36 1j5c s SER 9 Cb 0.00 -2.62 0.14 0.00 0.21 0.00 0.00 66.02 63.74 1j5c s SER 9 CO 0.00 -0.09 1.87 0.44 0.41 0.00 0.00 173.24 175.87 1j5c h ASP 10 N 3.88 0.78 -1.13 2.44 5.19 -1.94 -0.87 116.42 124.77 1j5c h ASP 10 Ca -0.46 -0.02 0.32 0.00 -0.62 0.00 0.00 57.03 56.25 1j5c h ASP 10 Cb 1.21 -0.19 -0.06 0.00 0.18 0.00 0.00 39.33 40.46 1j5c h ASP 10 CO 0.67 0.56 0.79 0.28 -3.12 0.00 0.00 179.24 178.42 1j5c h SER 11 N 0.93 0.15 0.00 6.45 0.02 -2.02 -3.44 113.55 115.63 1j5c h SER 11 Ca 0.26 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1j5c h SER 11 Cb -0.09 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1j5c h SER 11 CO -0.06 0.02 0.00 0.61 -1.14 0.00 0.00 176.83 176.26 1j5c n GLY 12 N -1.67 0.90 3.70 -3.77 0.00 -0.34 -5.13 105.19 98.88 1j5c n GLY 12 Ca 0.26 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.83 3.33 0.17 4.61 0.00 -1.17 -4.98 121.76 122.88 1j5c s ALA 13 Ca 0.00 -0.84 0.11 0.00 0.00 0.00 0.00 51.96 51.24 1j5c s ALA 13 Cb 0.00 -1.47 0.23 0.00 0.00 0.00 0.00 23.12 21.88 1j5c s ALA 13 CO 0.00 0.61 1.53 -0.07 0.00 0.00 0.00 175.76 177.83 1j5c h LEU 14 N 4.89 0.00-10.49 0.00 -0.00 -1.94 -2.95 115.31 104.82 1j5c h LEU 14 Ca -0.50 0.00 -0.47 0.00 -0.00 0.00 0.00 57.88 56.90 1j5c h LEU 14 Cb 1.19 0.00 0.11 0.00 -0.00 0.00 0.00 40.66 41.96 1j5c h LEU 14 CO 0.56 0.67 0.34 0.68 -0.00 0.00 0.00 178.44 180.69 1j5c s VAL 15 N -3.30 2.43 0.22 1.22 -7.23 -1.26 -4.72 120.40 107.76 1j5c s VAL 15 Ca 0.00 0.14 0.11 0.00 -1.81 0.00 0.00 61.98 60.42 1j5c s VAL 15 Cb 0.11 -2.96 -0.05 0.00 0.56 0.00 0.00 36.38 34.04 1j5c s VAL 15 CO 0.76 -0.18 -0.20 0.72 -0.31 0.00 0.00 175.10 175.89 1j5c s PHE 16 N -3.31 2.37 -0.10 2.82 -0.12 -1.26 -3.66 117.98 114.72 1j5c s PHE 16 Ca 0.62 -0.33 -0.05 0.00 -0.05 0.00 0.00 56.93 57.13 1j5c s PHE 16 Cb -0.14 -1.13 0.05 0.00 -0.63 0.00 0.00 43.02 41.17 1j5c s PHE 16 CO 0.53 0.56 0.22 -2.00 -0.05 0.00 0.00 175.22 174.47 1j5c s GLU 17 N -2.94 0.17 0.64 1.99 2.12 -1.26 -3.25 118.70 116.16 1j5c s GLU 17 Ca 0.24 0.50 -0.13 0.00 0.36 0.00 0.00 54.97 55.94 1j5c s GLU 17 Cb -0.07 -0.14 -0.02 0.00 0.26 0.00 0.00 34.13 34.16 1j5c s GLU 17 CO 0.12 -0.18 1.05 -1.25 -0.54 0.00 0.00 175.26 174.47 1j5c s PRO 18 N 1.34 3.16 0.19 4.30 0.04 -1.26 -4.20 135.00 138.57 1j5c s PRO 18 Ca -0.08 1.05 0.03 0.00 0.04 0.00 0.00 61.00 62.03 1j5c s PRO 18 Cb -0.11 -2.02 0.08 0.00 0.04 0.00 0.00 34.50 32.49 1j5c s PRO 18 CO -0.08 -0.93 1.44 0.66 0.04 0.00 0.00 177.00 178.13 1j5c h SER 19 N -0.17 0.27 -4.29 6.66 4.64 -1.92 -3.45 113.55 115.30 1j5c h SER 19 Ca -0.45 -0.20 -0.53 0.00 -0.47 0.00 0.00 61.79 60.15 1j5c h SER 19 Cb 1.21 -0.08 -0.29 0.00 -0.31 0.00 0.00 62.40 62.93 1j5c h SER 19 CO 0.57 0.95 -0.83 -0.89 -0.87 0.00 0.00 176.83 175.77 1j5c s THR 20 N -3.40 1.31 -0.01 2.95 2.01 -1.26 -2.33 115.64 114.91 1j5c s THR 20 Ca -0.03 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.21 1j5c s THR 20 Cb 0.11 -1.10 0.00 0.00 0.01 0.00 0.00 72.50 71.51 1j5c s THR 20 CO 0.82 0.32 -0.03 0.68 -0.69 0.00 0.00 174.62 175.72 1j5c s VAL 21 N -0.46 0.24 -0.02 3.82 -7.23 -1.25 -5.05 120.40 110.46 1j5c s VAL 21 Ca 0.06 -0.11 -0.30 0.00 -1.81 0.00 0.00 61.98 59.82 1j5c s VAL 21 Cb -0.07 -0.22 -0.03 0.00 0.56 0.00 0.00 36.38 36.62 1j5c s VAL 21 CO -0.00 0.08 1.08 0.42 -0.31 0.00 0.00 175.10 176.36 1j5c s THR 22 N 0.03 4.54 0.41 5.32 -4.23 -1.26 -2.95 115.64 117.50 1j5c s THR 22 Ca 0.00 1.82 0.05 0.00 -1.18 0.00 0.00 61.69 62.38 1j5c s THR 22 Cb -0.02 -4.17 -0.06 0.00 1.34 0.00 0.00 72.50 69.59 1j5c s THR 22 CO -0.00 0.09 0.03 -0.51 -0.54 0.00 0.00 174.62 173.69 1j5c s ILE 23 N 1.45 1.50 0.30 2.99 -1.16 0.49 -4.69 121.20 122.08 1j5c s ILE 23 Ca 0.54 -2.00 0.09 0.00 -0.51 0.00 0.00 60.65 58.77 1j5c s ILE 23 Cb -0.23 -2.73 -0.04 0.00 0.61 0.00 0.00 42.46 40.07 1j5c s ILE 23 CO 0.25 0.00 0.05 -0.54 -2.81 0.00 0.00 174.94 171.89 1j5c s LYS 24 N -3.79 2.30 -1.34 3.50 1.02 -1.26 0.19 119.74 120.35 1j5c s LYS 24 Ca 0.29 -1.50 -0.16 0.00 0.02 0.00 0.00 55.97 54.62 1j5c s LYS 24 Cb 0.07 -2.14 0.07 0.00 -0.52 0.00 0.00 37.83 35.32 1j5c s LYS 24 CO 0.14 0.26 1.86 0.00 -0.92 0.00 0.00 175.35 176.69 1j5c n ALA 25 N -0.98 4.19 0.00 5.17 0.00 -1.25 -2.64 120.51 124.99 1j5c n ALA 25 Ca -0.05 -3.90 0.00 0.00 0.00 0.00 0.00 53.44 49.49 1j5c n ALA 25 Cb 0.60 -3.54 0.00 0.00 0.00 0.00 0.00 19.45 16.51 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 4.87 0.56 3.77 0.00 0.00 0.21 -4.79 105.19 109.83 1j5c n GLY 26 Ca 0.49 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.11 0.30 1.61 8.01 -1.08 -4.76 118.70 122.66 1j5c s GLU 27 Ca 0.00 -0.18 0.07 0.00 0.01 0.00 0.00 54.97 54.87 1j5c s GLU 27 Cb 0.00 -1.74 -0.06 0.00 -4.31 0.00 0.00 34.13 28.02 1j5c s GLU 27 CO 0.00 -2.95 -0.06 -1.21 0.01 0.00 0.00 175.26 171.05 1j5c s GLU 28 N -5.61 1.61 0.05 1.61 2.02 -1.26 -2.35 118.70 114.77 1j5c s GLU 28 Ca 0.71 -1.83 0.06 0.00 0.02 0.00 0.00 54.97 53.94 1j5c s GLU 28 Cb -0.08 -1.26 -0.02 0.00 0.10 0.00 0.00 34.13 32.87 1j5c s GLU 28 CO 0.54 0.05 -0.17 0.08 0.02 0.00 0.00 175.26 175.78 1j5c s VAL 29 N -2.94 1.38 -0.14 2.63 1.01 -0.66 -3.11 120.40 118.57 1j5c s VAL 29 Ca 0.30 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1j5c s VAL 29 Cb 0.04 -1.24 0.02 0.00 0.00 0.00 0.00 36.38 35.20 1j5c s VAL 29 CO 0.13 0.06 -0.14 -0.75 0.00 0.00 0.00 175.10 174.40 1j5c s LYS 30 N -1.26 2.25 -0.48 2.72 2.20 -0.98 -1.61 119.74 122.57 1j5c s LYS 30 Ca 0.04 -0.54 -0.10 0.00 -0.36 0.00 0.00 55.97 55.01 1j5c s LYS 30 Cb -0.09 -2.05 0.12 0.00 -1.51 0.00 0.00 37.83 34.30 1j5c s LYS 30 CO 0.02 -0.22 0.36 -1.58 -0.36 0.00 0.00 175.35 173.58 1j5c s TRP 31 N 1.44 3.42 0.03 4.03 0.51 -1.10 -2.32 118.94 124.94 1j5c s TRP 31 Ca 0.04 -1.84 -0.30 0.00 -2.12 0.00 0.00 56.10 51.87 1j5c s TRP 31 Cb -0.13 -3.53 -0.04 0.00 -0.81 0.00 0.00 33.47 28.97 1j5c s TRP 31 CO -0.09 -1.00 1.01 0.08 -0.51 0.00 0.00 176.95 176.44 1j5c s VAL 32 N 1.35 4.67 -0.66 4.03 1.01 -1.22 -3.38 120.40 126.20 1j5c s VAL 32 Ca 0.06 1.96 -0.25 0.00 0.00 0.00 0.00 61.98 63.75 1j5c s VAL 32 Cb -0.26 -4.26 0.05 0.00 0.00 0.00 0.00 36.38 31.91 1j5c s VAL 32 CO -0.01 0.18 1.08 0.21 0.00 0.00 0.00 175.10 176.56 1j5c s ASN 33 N 0.85 6.22 -0.02 3.32 3.84 -1.26 -2.19 114.94 125.70 1j5c s ASN 33 Ca 0.52 -0.62 -0.00 0.00 0.21 0.00 0.00 52.86 52.97 1j5c s ASN 33 Cb -0.23 -2.48 -0.00 0.00 -0.55 0.00 0.00 41.25 38.00 1j5c s ASN 33 CO 0.29 -1.53 -0.00 -1.13 -2.79 0.00 0.00 177.10 171.93 1j5c h ASN 34 N 9.67 0.00 -0.24 -4.21 -1.24 -1.80 -3.38 115.58 114.38 1j5c h ASN 34 Ca -0.28 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.73 1j5c h ASN 34 Cb 1.06 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.11 1j5c h ASN 34 CO 1.20 0.10 0.00 0.29 -1.29 0.00 0.00 177.43 177.73 1j5c n LYS 35 N -2.57 0.00 -2.43 6.67 4.76 -1.26 -4.88 118.16 118.45 1j5c n LYS 35 Ca -0.00 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1j5c n LYS 35 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 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 -4.90 -4.33 -0.35 7.99 -1.26 -4.56 117.00 109.58 1j5c n LEU 36 Ca 0.00 -0.03 -0.20 0.00 -0.01 0.00 0.00 56.01 55.78 1j5c n LEU 36 Cb 0.00 -2.39 -0.10 0.00 -0.11 0.00 0.00 43.42 40.82 1j5c n LEU 36 CO 0.00 -0.71 -0.46 -0.44 -1.51 0.00 0.00 177.39 174.28 1j5c s SER 37 N -2.57 2.56 0.87 -1.43 0.01 -1.26 -4.20 113.70 107.67 1j5c s SER 37 Ca 0.01 -0.95 -0.12 0.00 1.31 0.00 0.00 55.95 56.20 1j5c s SER 37 Cb -0.00 -0.14 0.11 0.00 0.21 0.00 0.00 66.02 66.20 1j5c s SER 37 CO 0.45 -0.12 1.12 -2.16 0.41 0.00 0.00 173.24 172.94 1j5c s PRO 38 N -3.27 1.52 -0.28 12.44 0.04 -1.26 -5.13 135.00 139.07 1j5c s PRO 38 Ca 0.19 0.42 -0.34 0.00 0.04 0.00 0.00 61.00 61.31 1j5c s PRO 38 Cb -0.03 -1.87 0.17 0.00 0.04 0.00 0.00 34.50 32.81 1j5c s PRO 38 CO 0.06 -1.96 1.35 -3.38 0.04 0.00 0.00 177.00 173.11 1j5c s HIS 39 N -3.23 -0.04 0.24 0.56 -3.43 -1.21 -4.66 115.29 103.52 1j5c s HIS 39 Ca 0.63 0.04 0.01 0.00 -0.80 0.00 0.00 55.06 54.94 1j5c s HIS 39 Cb -0.15 0.50 -0.04 0.00 -1.43 0.00 0.00 32.58 31.47 1j5c s HIS 39 CO 0.54 -0.04 0.18 0.54 -2.00 0.00 0.00 174.74 173.95 1j5c s ASN 40 N -1.59 0.55 -0.61 7.38 2.20 -1.26 -2.49 114.94 119.12 1j5c s ASN 40 Ca 0.10 -1.48 0.05 0.00 -0.94 0.00 0.00 52.86 50.59 1j5c s ASN 40 Cb -0.01 0.43 0.18 0.00 -2.00 0.00 0.00 41.25 39.85 1j5c s ASN 40 CO -0.05 -0.91 0.47 -0.38 -2.94 0.00 0.00 177.10 173.29 1j5c n ILE 41 N -0.37 0.82 -2.73 0.54 5.41 -1.18 -4.52 119.36 117.34 1j5c n ILE 41 Ca 0.03 -4.46 -0.41 0.00 1.00 0.00 0.00 62.75 58.91 1j5c n ILE 41 Cb 0.65 -2.03 -0.04 0.00 -0.71 0.00 0.00 39.64 37.52 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 -1.10 4.65 -0.21 1.39 1.01 -1.14 -1.30 120.40 123.69 1j5c s VAL 42 Ca 0.28 2.06 -0.07 0.00 0.00 0.00 0.00 61.98 64.25 1j5c s VAL 42 Cb -0.00 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 1j5c s VAL 42 CO -0.17 0.26 0.06 -0.36 0.00 0.00 0.00 175.10 174.89 1j5c s PHE 43 N 0.39 3.16 0.57 5.22 0.40 -1.26 -1.01 117.98 125.44 1j5c s PHE 43 Ca 0.49 -0.16 -0.16 0.00 -0.60 0.00 0.00 56.93 56.50 1j5c s PHE 43 Cb -0.22 -2.15 -0.05 0.00 0.51 0.00 0.00 43.02 41.10 1j5c s PHE 43 CO 0.29 -0.10 1.03 0.00 0.70 0.00 0.00 175.22 177.14 1j5c s ALA 44 N 0.98 2.87 -0.84 5.36 0.00 0.19 -4.68 121.76 125.64 1j5c s ALA 44 Ca 0.04 0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.30 1j5c s ALA 44 Cb -0.14 -3.18 0.23 0.00 0.00 0.00 0.00 23.12 20.03 1j5c s ALA 44 CO 0.03 -0.60 0.82 0.00 0.00 0.00 0.00 175.76 176.01 1j5c n ALA 45 N -1.91 3.97 -0.89 0.00 0.00 -1.26 -4.39 120.51 116.03 1j5c n ALA 45 Ca 0.08 -4.65 0.00 0.00 0.00 0.00 0.00 53.44 48.87 1j5c n ALA 45 Cb 0.53 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 1.81 0.00 -0.19 0.00 9.92 -1.26 -4.60 116.55 122.24 1j5c n ASP 46 Ca 0.24 0.01 0.08 0.00 -0.53 0.00 0.00 54.79 54.58 1j5c n ASP 46 Cb 0.37 -0.05 0.38 0.00 -0.64 0.00 0.00 41.12 41.18 1j5c n ASP 46 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1j5c n GLY 47 N 2.40 -0.56 3.43 0.44 0.00 -1.26 -4.82 105.19 104.83 1j5c n GLY 47 Ca 0.00 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 1j5c n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j5c s VAL 48 N -1.91 1.58 0.79 1.61 1.01 -1.26 -4.89 120.40 117.33 1j5c s VAL 48 Ca 0.24 -2.10 -0.10 0.00 0.00 0.00 0.00 61.98 60.01 1j5c s VAL 48 Cb 0.12 -2.51 0.07 0.00 0.00 0.00 0.00 36.38 34.06 1j5c s VAL 48 CO 0.18 -0.25 1.10 -1.81 0.00 0.00 0.00 175.10 174.32 1j5c s ASP 49 N -3.45 4.32 -0.05 3.32 1.11 -1.26 -4.72 116.67 115.95 1j5c s ASP 49 Ca 0.30 1.86 -0.13 0.00 0.18 0.00 0.00 52.55 54.76 1j5c s ASP 49 Cb 0.05 -2.52 -0.07 0.00 1.07 0.00 0.00 42.92 41.44 1j5c s ASP 49 CO 0.12 -2.16 0.54 0.00 1.18 0.00 0.00 175.17 174.86 1j5c h ALA 50 N -1.21 -0.47 -0.31 5.23 0.00 -1.97 -1.73 119.26 118.79 1j5c h ALA 50 Ca -0.43 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.40 1j5c h ALA 50 Cb 1.24 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 19.16 1j5c h ALA 50 CO 0.50 -0.43 -0.30 -0.44 0.00 0.00 0.00 179.25 178.58 1j5c h ASP 51 N -1.12 -1.04 -0.49 0.00 5.19 -1.98 1.04 116.42 118.01 1j5c h ASP 51 Ca -0.05 0.14 0.09 0.00 -0.62 0.00 0.00 57.03 56.60 1j5c h ASP 51 Cb 0.36 0.44 -0.10 0.00 0.18 0.00 0.00 39.33 40.21 1j5c h ASP 51 CO 0.08 -0.19 -0.28 0.74 -3.12 0.00 0.00 179.24 176.47 1j5c h THR 52 N -0.15 0.26 -0.33 0.35 2.02 -1.97 0.97 112.91 114.06 1j5c h THR 52 Ca 0.05 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.33 1j5c h THR 52 Cb 0.28 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1j5c h THR 52 CO -0.37 0.00 0.27 0.00 0.37 0.00 0.00 175.52 175.79 1j5c h ALA 53 N 1.02 2.19 0.25 6.16 0.00 -0.14 0.14 119.26 128.88 1j5c h ALA 53 Ca 0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1j5c h ALA 53 Cb 0.51 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1j5c h ALA 53 CO -0.58 -0.44 -0.12 0.00 0.00 0.00 0.00 179.25 178.10 1j5c h ALA 54 N 1.77 -0.34 -0.62 0.00 0.00 0.90 1.36 119.26 122.34 1j5c h ALA 54 Ca 0.16 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1j5c h ALA 54 Cb 0.70 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1j5c h ALA 54 CO -0.00 -0.63 0.31 0.87 0.00 0.00 0.00 179.25 179.80 1j5c h LYS 55 N -0.47 0.88 0.00 0.00 6.56 -0.35 0.27 116.57 123.46 1j5c h LYS 55 Ca -0.03 -0.12 0.00 0.00 -1.06 0.00 0.00 60.65 59.43 1j5c h LYS 55 Cb 0.35 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 31.85 1j5c h LYS 55 CO 0.06 0.70 0.00 1.28 -2.06 0.00 0.00 179.45 179.42 1j5c n LEU 56 N -4.52 0.00 -4.55 2.94 4.32 -0.12 -4.63 117.00 110.44 1j5c n LEU 56 Ca 0.04 0.25 -0.41 0.00 -0.02 0.00 0.00 56.01 55.87 1j5c n LEU 56 Cb 0.11 -0.25 -0.08 0.00 -1.62 0.00 0.00 43.42 41.58 1j5c n LEU 56 CO 0.38 -0.03 0.21 -0.55 -1.22 0.00 0.00 177.39 176.18 1j5c s SER 57 N -2.50 6.30 -0.61 -1.43 0.15 0.47 -4.43 113.70 111.65 1j5c s SER 57 Ca 0.27 -0.06 -0.23 0.00 0.70 0.00 0.00 55.95 56.63 1j5c s SER 57 Cb 0.18 -2.26 0.06 0.00 -1.71 0.00 0.00 66.02 62.29 1j5c s SER 57 CO 0.39 -0.48 0.91 -1.00 1.20 0.00 0.00 173.24 174.27 1j5c s HIS 58 N 2.37 2.76 -0.29 3.44 3.76 -0.42 -4.81 115.29 122.10 1j5c s HIS 58 Ca 0.18 -0.41 0.11 0.00 -0.15 0.00 0.00 55.06 54.79 1j5c s HIS 58 Cb -0.16 -4.14 0.47 0.00 1.11 0.00 0.00 32.58 29.86 1j5c s HIS 58 CO 0.13 -1.49 1.17 1.17 -0.85 0.00 0.00 174.74 174.87 1j5c n LYS 59 N 7.43 3.18 -0.07 1.40 4.81 -1.26 -2.90 118.16 130.74 1j5c n LYS 59 Ca -0.03 -4.02 -0.05 0.00 -0.87 0.00 0.00 58.31 53.34 1j5c n LYS 59 Cb 0.46 -2.12 -0.16 0.00 0.02 0.00 0.00 35.03 33.23 1j5c n LYS 59 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1j5c n GLY 60 N -0.68 -0.96 1.46 3.14 0.00 -1.26 -5.09 105.19 101.81 1j5c n GLY 60 Ca 0.35 -0.37 -0.00 0.00 0.00 0.00 0.00 46.02 46.01 1j5c n GLY 60 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1j5c n LEU 61 N -2.60 -3.44 -4.81 0.99 7.94 -1.26 -5.06 117.00 108.76 1j5c n LEU 61 Ca -0.25 0.88 -0.23 0.00 -1.11 0.00 0.00 56.01 55.29 1j5c n LEU 61 Cb 0.99 -1.71 -0.05 0.00 0.53 0.00 0.00 43.42 43.19 1j5c n LEU 61 CO 0.42 -0.95 -0.19 0.00 -1.11 0.00 0.00 177.39 175.56 1j5c s ALA 62 N -0.19 3.57 0.00 1.96 0.00 -1.04 -4.99 121.76 121.07 1j5c s ALA 62 Ca -0.01 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 50.59 1j5c s ALA 62 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 23.12 21.81 1j5c s ALA 62 CO 0.02 0.34 0.00 1.97 0.00 0.00 0.00 175.76 178.09 1j5c n PHE 63 N -0.89 -0.76 -2.70 0.00 -1.74 -1.26 -3.28 117.46 106.83 1j5c n PHE 63 Ca -0.08 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.38 1j5c n PHE 63 Cb 0.57 0.19 -0.03 0.00 1.52 0.00 0.00 39.48 41.73 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 -1.38 3.38 1.06 1.98 0.00 -1.26 -4.93 121.76 120.60 1j5c s ALA 64 Ca 0.00 -0.31 -0.19 0.00 0.00 0.00 0.00 51.96 51.45 1j5c s ALA 64 Cb 0.00 -3.67 0.01 0.00 0.00 0.00 0.00 23.12 19.46 1j5c s ALA 64 CO 0.00 -1.72 -0.30 0.00 0.00 0.00 0.00 175.76 173.74 1j5c n ALA 65 N 7.06 -4.32 0.00 0.00 0.00 -1.26 -2.89 120.51 119.10 1j5c n ALA 65 Ca 0.10 -1.14 0.00 0.00 0.00 0.00 0.00 53.44 52.40 1j5c n ALA 65 Cb 0.48 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 2.34 2.03 3.56 0.00 0.00 -1.26 -4.95 105.19 106.91 1j5c n GLY 66 Ca 0.01 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 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 3.07 -0.13 1.61 2.02 -1.14 -4.93 118.70 119.21 1j5c s GLU 67 Ca 0.00 0.25 0.01 0.00 0.02 0.00 0.00 54.97 55.25 1j5c s GLU 67 Cb 0.00 -4.22 -0.01 0.00 0.10 0.00 0.00 34.13 30.00 1j5c s GLU 67 CO 0.00 -2.24 -0.17 -1.12 0.02 0.00 0.00 175.26 171.75 1j5c s SER 68 N 5.22 3.62 0.83 -0.19 0.01 -1.26 -4.26 113.70 117.68 1j5c s SER 68 Ca 0.50 -0.44 -0.11 0.00 1.31 0.00 0.00 55.95 57.22 1j5c s SER 68 Cb -0.10 -1.53 0.12 0.00 0.21 0.00 0.00 66.02 64.72 1j5c s SER 68 CO 0.20 0.14 1.17 -0.36 0.41 0.00 0.00 173.24 174.81 1j5c s PHE 69 N 0.46 2.32 0.05 2.43 0.08 -1.22 -4.89 117.98 117.22 1j5c s PHE 69 Ca -0.12 0.42 -0.02 0.00 0.12 0.00 0.00 56.93 57.32 1j5c s PHE 69 Cb -0.16 -3.60 -0.03 0.00 -0.57 0.00 0.00 43.02 38.66 1j5c s PHE 69 CO 0.05 -1.99 -0.00 0.99 -0.10 0.00 0.00 175.22 174.17 1j5c s THR 70 N -3.57 0.19 0.27 0.64 2.01 -1.26 -2.71 115.64 111.21 1j5c s THR 70 Ca 0.66 -1.60 -0.04 0.00 0.31 0.00 0.00 61.69 61.02 1j5c s THR 70 Cb -0.08 -1.33 -0.02 0.00 0.01 0.00 0.00 72.50 71.09 1j5c s THR 70 CO 0.49 -0.89 0.35 -0.94 -0.69 0.00 0.00 174.62 172.94 1j5c s SER 71 N -2.70 0.44 -0.12 3.53 1.04 -0.64 -4.94 113.70 110.31 1j5c s SER 71 Ca 0.04 -1.31 -0.05 0.00 0.48 0.00 0.00 55.95 55.11 1j5c s SER 71 Cb 0.05 0.54 0.06 0.00 0.10 0.00 0.00 66.02 66.77 1j5c s SER 71 CO -0.09 -1.09 0.24 -0.89 0.98 0.00 0.00 173.24 172.40 1j5c s THR 72 N -3.73 -0.31 -0.56 2.02 2.01 -1.26 -1.65 115.64 112.16 1j5c s THR 72 Ca 0.32 0.27 -0.14 0.00 0.31 0.00 0.00 61.69 62.44 1j5c s THR 72 Cb 0.02 -0.40 0.14 0.00 0.01 0.00 0.00 72.50 72.26 1j5c s THR 72 CO 0.15 0.11 0.49 -0.36 -0.69 0.00 0.00 174.62 174.32 1j5c s PHE 73 N 2.15 3.35 -0.12 4.92 0.40 -0.99 -4.91 117.98 122.78 1j5c s PHE 73 Ca -0.01 -1.53 -0.06 0.00 -0.60 0.00 0.00 56.93 54.74 1j5c s PHE 73 Cb -0.12 -3.72 -0.04 0.00 0.51 0.00 0.00 43.02 39.65 1j5c s PHE 73 CO -0.08 -1.01 0.01 1.15 0.70 0.00 0.00 175.22 175.99 1j5c h THR 74 N 5.81 0.17 -3.11 0.64 2.02 -1.86 0.61 112.91 117.19 1j5c h THR 74 Ca -0.23 -1.14 -0.53 0.00 0.77 0.00 0.00 66.41 65.28 1j5c h THR 74 Cb 1.08 0.33 0.03 0.00 -1.74 0.00 0.00 68.15 67.85 1j5c h THR 74 CO 0.96 0.06 0.70 -0.70 0.37 0.00 0.00 175.52 176.91 1j5c s GLU 75 N -1.84 4.34 -1.09 6.66 2.12 -1.26 -4.26 118.70 123.37 1j5c s GLU 75 Ca -0.07 2.06 -0.22 0.00 0.36 0.00 0.00 54.97 57.10 1j5c s GLU 75 Cb 0.01 -3.24 -0.00 0.00 0.26 0.00 0.00 34.13 31.16 1j5c s GLU 75 CO 0.14 -0.38 1.76 -1.25 -0.54 0.00 0.00 175.26 174.98 1j5c s PRO 76 N 0.78 3.17 0.00 4.30 0.04 -1.26 -4.80 135.00 137.23 1j5c s PRO 76 Ca 0.62 -1.13 0.00 0.00 0.04 0.00 0.00 61.00 60.54 1j5c s PRO 76 Cb -0.36 -5.30 0.00 0.00 0.04 0.00 0.00 34.50 28.88 1j5c s PRO 76 CO 0.32 -2.93 0.00 0.41 0.04 0.00 0.00 177.00 174.84 1j5c n GLY 77 N 6.28 5.51 2.74 0.56 0.00 -1.26 -4.95 105.19 114.07 1j5c n GLY 77 Ca 0.41 -1.09 -0.20 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 1.22 -0.20 0.37 2.61 2.01 -1.26 -2.15 115.64 118.23 1j5c s THR 78 Ca 0.00 0.18 -0.02 0.00 0.31 0.00 0.00 61.69 62.16 1j5c s THR 78 Cb 0.00 -0.39 -0.04 0.00 0.01 0.00 0.00 72.50 72.09 1j5c s THR 78 CO 0.00 0.01 0.61 -0.31 -0.69 0.00 0.00 174.62 174.24 1j5c s TYR 79 N 2.24 3.51 0.02 4.92 1.51 -1.11 -4.76 117.35 123.68 1j5c s TYR 79 Ca 0.04 0.53 -0.04 0.00 -1.01 0.00 0.00 57.07 56.58 1j5c s TYR 79 Cb -0.13 -2.04 -0.01 0.00 -0.11 0.00 0.00 41.96 39.66 1j5c s TYR 79 CO -0.07 0.03 0.07 0.99 -1.11 0.00 0.00 175.55 175.46 1j5c s THR 80 N -2.39 0.10 0.36 -0.71 2.01 -1.26 -1.98 115.64 111.77 1j5c s THR 80 Ca 0.43 -0.86 -0.02 0.00 0.31 0.00 0.00 61.69 61.55 1j5c s THR 80 Cb -0.10 -0.48 0.01 0.00 0.01 0.00 0.00 72.50 71.93 1j5c s THR 80 CO 0.37 -0.47 0.50 -0.72 -0.69 0.00 0.00 174.62 173.60 1j5c s TYR 81 N -1.69 1.10 0.27 4.92 1.13 -1.16 0.55 117.35 122.47 1j5c s TYR 81 Ca -0.13 -1.33 -0.06 0.00 -1.41 0.00 0.00 57.07 54.15 1j5c s TYR 81 Cb -0.07 -0.07 0.02 0.00 -1.10 0.00 0.00 41.96 40.75 1j5c s TYR 81 CO -0.01 -1.18 0.46 2.48 -2.51 0.00 0.00 175.55 174.79 1j5c n TYR 82 N -0.59 -1.55 -3.37 -3.49 4.11 -0.18 -4.45 117.16 107.63 1j5c n TYR 82 Ca 0.01 -1.56 -0.12 0.00 -0.00 0.00 0.00 57.90 56.23 1j5c n TYR 82 Cb 0.61 0.53 -0.09 0.00 -0.00 0.00 0.00 39.34 40.39 1j5c n TYR 82 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1j5c h GLU 84 N 8.21 -0.20 -4.35 0.00 5.08 -1.91 -3.37 114.58 118.03 1j5c h GLU 84 Ca -0.16 0.01 -0.67 0.00 -1.00 0.00 0.00 59.36 57.54 1j5c h GLU 84 Cb 1.14 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1j5c h GLU 84 CO 0.28 0.17 2.63 -0.35 -1.00 0.00 0.00 179.01 180.74 1j5c n PRO 85 N -4.90 2.17 -2.70 2.33 -0.04 -1.26 -4.25 135.00 126.34 1j5c n PRO 85 Ca -0.06 -2.26 -0.06 0.00 -0.04 0.00 0.00 63.50 61.07 1j5c n PRO 85 Cb 0.23 -3.14 0.06 0.00 -0.04 0.00 0.00 33.50 30.62 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 7.15 0.07 -4.45 0.54 8.25 -1.26 -4.29 115.22 121.23 1j5c n HIS 86 Ca 0.50 -2.38 -0.38 0.00 -0.26 0.00 0.00 57.72 55.20 1j5c n HIS 86 Cb 0.40 0.26 -0.08 0.00 1.12 0.00 0.00 29.99 31.69 1j5c n HIS 86 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1j5c n ARG 87 N -0.41 -0.90 -3.45 -0.41 3.00 -1.26 -1.70 116.66 111.53 1j5c n ARG 87 Ca 0.04 0.13 -0.27 0.00 -0.00 0.00 0.00 57.85 57.75 1j5c n ARG 87 Cb 0.83 -4.32 0.02 0.00 0.00 0.00 0.00 32.46 28.98 1j5c n ARG 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1j5c n GLY 88 N -1.62 -0.61 0.04 5.14 0.00 -1.26 -4.93 105.19 101.95 1j5c n GLY 88 Ca -0.05 0.96 -0.05 0.00 0.00 0.00 0.00 46.02 46.89 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 -1.04 1.81 0.00 4.61 0.00 -0.69 -5.06 120.51 120.13 1j5c n ALA 89 Ca -0.11 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1j5c n ALA 89 Cb 0.64 0.15 0.00 0.00 0.00 0.00 0.00 19.45 20.24 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 2.70 1.98 2.68 0.00 0.00 -1.26 -4.96 105.19 106.33 1j5c n GLY 90 Ca -0.14 -0.63 -0.01 0.00 0.00 0.00 0.00 46.02 45.24 1j5c n GLY 90 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1j5c n MET 91 N 0.00 -0.26 0.09 1.61 0.00 -1.26 -4.09 117.12 113.21 1j5c n MET 91 Ca 0.00 0.63 -0.04 0.00 0.00 0.00 0.00 57.70 58.29 1j5c n MET 91 Cb 0.00 -0.82 -0.02 0.00 0.00 0.00 0.00 33.22 32.38 1j5c n MET 91 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1j5c h VAL 92 N 3.03 0.00 -4.25 3.17 2.07 -1.93 -3.37 116.25 114.96 1j5c h VAL 92 Ca -0.02 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1j5c h VAL 92 Cb 0.82 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1j5c h VAL 92 CO 0.01 0.00 -0.98 0.61 0.02 0.00 0.00 177.57 177.23 1j5c n GLY 93 N 0.58 -5.18 3.33 2.17 0.00 -1.26 -3.94 105.19 100.89 1j5c n GLY 93 Ca -0.03 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.76 1.27 0.16 1.61 -2.85 -0.99 -2.99 119.74 114.21 1j5c s LYS 94 Ca 0.00 -1.43 0.06 0.00 -1.00 0.00 0.00 55.97 53.60 1j5c s LYS 94 Cb 0.00 0.34 -0.04 0.00 -2.06 0.00 0.00 37.83 36.07 1j5c s LYS 94 CO 0.00 -0.46 -0.12 0.08 0.10 0.00 0.00 175.35 174.95 1j5c s VAL 95 N -4.08 1.39 -0.01 1.79 1.01 -0.84 -3.74 120.40 115.92 1j5c s VAL 95 Ca 0.29 -2.08 0.01 0.00 0.00 0.00 0.00 61.98 60.20 1j5c s VAL 95 Cb 0.04 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.55 1j5c s VAL 95 CO 0.08 -0.66 -0.02 -0.69 0.00 0.00 0.00 175.10 173.82 1j5c s VAL 96 N -3.07 0.19 -0.28 2.92 1.01 -1.15 -2.76 120.40 117.25 1j5c s VAL 96 Ca 0.18 -0.04 -0.07 0.00 0.00 0.00 0.00 61.98 62.04 1j5c s VAL 96 Cb 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 36.38 36.17 1j5c s VAL 96 CO 0.03 0.08 0.08 -0.69 0.00 0.00 0.00 175.10 174.61 1j5c s VAL 97 N 0.29 4.19 0.00 2.92 1.01 -0.92 0.18 120.40 128.08 1j5c s VAL 97 Ca -0.03 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1j5c s VAL 97 Cb -0.05 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.26 1j5c s VAL 97 CO -0.01 0.20 0.00 -0.90 0.00 0.00 0.00 175.10 174.39