#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 6.97 -0.30 0.00 2.20 -1.26 -4.75 114.94 117.79 1j5c s ASN 2 Ca 0.00 2.11 -0.06 0.00 -0.94 0.00 0.00 52.86 53.96 1j5c s ASN 2 Cb 0.00 -2.60 0.02 0.00 -2.00 0.00 0.00 41.25 36.67 1j5c s ASN 2 CO 0.00 -0.35 0.07 0.00 -2.94 0.00 0.00 177.10 173.89 1j5c s ALA 3 N -1.48 3.03 0.29 3.54 0.00 -0.98 -5.01 121.76 121.15 1j5c s ALA 3 Ca 0.53 -1.54 0.11 0.00 0.00 0.00 0.00 51.96 51.06 1j5c s ALA 3 Cb -0.25 -2.15 -0.05 0.00 0.00 0.00 0.00 23.12 20.67 1j5c s ALA 3 CO 0.32 -1.04 -0.17 -0.08 0.00 0.00 0.00 175.76 174.80 1j5c s THR 4 N 1.46 2.54 -0.03 0.00 -1.32 -1.26 -2.46 115.64 114.57 1j5c s THR 4 Ca 0.01 -2.33 -0.03 0.00 -1.21 0.00 0.00 61.69 58.13 1j5c s THR 4 Cb -0.18 -2.40 0.01 0.00 -1.51 0.00 0.00 72.50 68.43 1j5c s THR 4 CO 0.02 -0.37 0.08 -0.69 -2.21 0.00 0.00 174.62 171.45 1j5c s VAL 5 N -2.50 -0.01 -0.52 5.08 1.01 -0.36 -4.86 120.40 118.24 1j5c s VAL 5 Ca 0.31 0.02 -0.25 0.00 0.00 0.00 0.00 61.98 62.06 1j5c s VAL 5 Cb -0.04 -0.13 0.03 0.00 0.00 0.00 0.00 36.38 36.24 1j5c s VAL 5 CO 0.16 0.01 0.98 -1.59 0.00 0.00 0.00 175.10 174.65 1j5c s LYS 6 N 0.17 3.44 -0.49 2.72 -2.85 -1.24 -3.08 119.74 118.41 1j5c s LYS 6 Ca -0.01 -0.02 -0.44 0.00 -1.00 0.00 0.00 55.97 54.51 1j5c s LYS 6 Cb -0.02 -4.00 -0.19 0.00 -2.06 0.00 0.00 37.83 31.56 1j5c s LYS 6 CO -0.00 -1.42 2.11 -1.33 0.10 0.00 0.00 175.35 174.81 1j5c n MET 7 N 7.51 0.05 0.00 1.78 2.81 0.05 -4.12 117.12 125.21 1j5c n MET 7 Ca 0.05 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 1j5c n MET 7 Cb 0.48 -1.54 0.00 0.00 -0.71 0.00 0.00 33.22 31.45 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 7.26 -2.05 3.84 3.03 0.00 -1.25 -3.62 105.19 112.39 1j5c n GLY 8 Ca 0.53 -1.49 -0.33 0.00 0.00 0.00 0.00 46.02 44.73 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 -4.71 6.83 0.13 1.61 0.01 -1.18 -4.07 113.70 112.32 1j5c s SER 9 Ca 0.00 1.43 -0.28 0.00 1.31 0.00 0.00 55.95 58.41 1j5c s SER 9 Cb 0.00 -2.43 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 1j5c s SER 9 CO 0.00 -0.27 1.59 -0.78 0.41 0.00 0.00 173.24 174.20 1j5c h ASP 10 N 2.10 -1.18 -0.99 2.44 3.58 -1.92 -1.54 116.42 118.91 1j5c h ASP 10 Ca -0.48 0.16 0.14 0.00 0.42 0.00 0.00 57.03 57.27 1j5c h ASP 10 Cb 1.18 0.49 -0.15 0.00 1.72 0.00 0.00 39.33 42.56 1j5c h ASP 10 CO 0.64 -0.40 -0.43 -0.24 -2.88 0.00 0.00 179.24 175.93 1j5c n SER 11 N -5.43 -0.73 0.00 2.28 2.88 -1.26 -4.82 113.62 106.55 1j5c n SER 11 Ca -0.04 1.74 0.00 0.00 -1.33 0.00 0.00 58.87 59.25 1j5c n SER 11 Cb 0.35 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 1j5c n SER 11 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1j5c n GLY 12 N -1.43 1.00 0.52 0.46 0.00 -0.58 -5.19 105.19 99.98 1j5c n GLY 12 Ca 0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 1j5c n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j5c n ALA 13 N 0.00 -0.01 -0.03 4.61 0.00 -1.25 -4.95 120.51 118.88 1j5c n ALA 13 Ca 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 53.44 53.15 1j5c n ALA 13 Cb 0.00 0.22 -0.01 0.00 0.00 0.00 0.00 19.45 19.66 1j5c n ALA 13 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1j5c n LEU 14 N 0.00 0.68 -4.66 0.00 4.77 -1.26 -4.10 117.00 112.42 1j5c n LEU 14 Ca 0.00 0.34 -0.62 0.00 -0.03 0.00 0.00 56.01 55.71 1j5c n LEU 14 Cb 0.09 -0.63 -0.08 0.00 -2.33 0.00 0.00 43.42 40.47 1j5c n LEU 14 CO 0.05 -0.48 0.99 1.33 -1.33 0.00 0.00 177.39 177.95 1j5c n VAL 15 N -3.14 0.06 -3.11 4.08 0.24 -1.26 -3.95 118.33 111.24 1j5c n VAL 15 Ca -0.03 -0.01 -0.39 0.00 -2.04 0.00 0.00 64.34 61.87 1j5c n VAL 15 Cb 0.11 -0.53 -0.06 0.00 -1.47 0.00 0.00 33.84 31.90 1j5c n VAL 15 CO 0.00 0.00 0.00 0.72 -2.14 0.00 0.00 176.83 175.41 1j5c s PHE 16 N 1.98 3.78 -0.00 6.34 -0.12 -1.26 -3.11 117.98 125.58 1j5c s PHE 16 Ca 0.98 1.39 0.08 0.00 -0.05 0.00 0.00 56.93 59.32 1j5c s PHE 16 Cb -1.30 -2.67 -0.02 0.00 -0.63 0.00 0.00 43.02 38.40 1j5c s PHE 16 CO 0.68 0.42 -0.24 -1.21 -0.05 0.00 0.00 175.22 174.82 1j5c s GLU 17 N -0.58 1.91 0.10 1.99 2.02 -1.26 -1.18 118.70 121.70 1j5c s GLU 17 Ca 0.34 -0.92 -0.30 0.00 0.02 0.00 0.00 54.97 54.10 1j5c s GLU 17 Cb -0.20 -1.90 -0.06 0.00 0.10 0.00 0.00 34.13 32.07 1j5c s GLU 17 CO 0.21 0.51 1.15 -1.25 0.02 0.00 0.00 175.26 175.91 1j5c s PRO 18 N -0.73 4.49 0.21 0.39 0.04 -1.26 -3.68 135.00 134.46 1j5c s PRO 18 Ca 0.10 1.73 -0.10 0.00 0.04 0.00 0.00 61.00 62.77 1j5c s PRO 18 Cb -0.09 -3.33 0.29 0.00 0.04 0.00 0.00 34.50 31.41 1j5c s PRO 18 CO -0.00 -0.14 1.72 0.66 0.04 0.00 0.00 177.00 179.27 1j5c h SER 19 N 6.23 0.07 -3.33 6.66 4.64 -1.50 -3.39 113.55 122.92 1j5c h SER 19 Ca -0.42 0.10 -0.66 0.00 -0.47 0.00 0.00 61.79 60.33 1j5c h SER 19 Cb 1.21 0.13 -0.29 0.00 -0.31 0.00 0.00 62.40 63.14 1j5c h SER 19 CO 0.78 0.04 -0.80 -0.89 -0.87 0.00 0.00 176.83 175.09 1j5c s THR 20 N -6.10 2.75 0.31 2.95 2.01 -1.25 -1.15 115.64 115.16 1j5c s THR 20 Ca -0.13 -0.77 0.04 0.00 0.31 0.00 0.00 61.69 61.14 1j5c s THR 20 Cb 0.18 -2.13 -0.06 0.00 0.01 0.00 0.00 72.50 70.50 1j5c s THR 20 CO 0.74 0.54 0.04 -0.69 -0.69 0.00 0.00 174.62 174.56 1j5c s VAL 21 N 0.34 1.20 -0.04 3.82 1.01 -1.22 -5.03 120.40 120.48 1j5c s VAL 21 Ca -0.13 -2.01 0.05 0.00 0.00 0.00 0.00 61.98 59.88 1j5c s VAL 21 Cb -0.17 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 1j5c s VAL 21 CO 0.07 -0.05 -0.17 0.42 0.00 0.00 0.00 175.10 175.37 1j5c s THR 22 N -3.30 2.85 0.08 3.92 -4.23 -1.26 -2.83 115.64 110.88 1j5c s THR 22 Ca 0.35 -0.81 -0.06 0.00 -1.18 0.00 0.00 61.69 59.99 1j5c s THR 22 Cb 0.08 -2.10 -0.01 0.00 1.34 0.00 0.00 72.50 71.81 1j5c s THR 22 CO 0.15 0.58 0.13 -0.51 -0.54 0.00 0.00 174.62 174.43 1j5c s ILE 23 N -0.71 0.16 0.68 2.99 2.07 -0.75 -4.72 121.20 120.91 1j5c s ILE 23 Ca 0.11 -1.40 0.01 0.00 -1.41 0.00 0.00 60.65 57.96 1j5c s ILE 23 Cb -0.10 -1.46 0.11 0.00 0.13 0.00 0.00 42.46 41.14 1j5c s ILE 23 CO 0.00 -0.72 0.94 -0.54 -1.91 0.00 0.00 174.94 172.71 1j5c s LYS 24 N -3.89 1.88 -0.72 3.50 1.02 -1.26 0.20 119.74 120.46 1j5c s LYS 24 Ca 0.07 -1.14 -0.20 0.00 0.02 0.00 0.00 55.97 54.73 1j5c s LYS 24 Cb 0.06 -2.39 0.10 0.00 -0.52 0.00 0.00 37.83 35.08 1j5c s LYS 24 CO -0.09 -1.27 0.92 0.00 -0.92 0.00 0.00 175.35 173.99 1j5c s ALA 25 N -3.03 3.32 0.00 5.17 0.00 -1.24 -3.46 121.76 122.52 1j5c s ALA 25 Ca 0.64 -2.29 0.00 0.00 0.00 0.00 0.00 51.96 50.32 1j5c s ALA 25 Cb -0.06 -3.80 0.00 0.00 0.00 0.00 0.00 23.12 19.26 1j5c s ALA 25 CO 0.43 -2.68 0.00 0.41 0.00 0.00 0.00 175.76 173.92 1j5c n GLY 26 N 5.30 1.06 3.67 0.00 0.00 0.61 -4.92 105.19 110.91 1j5c n GLY 26 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 1j5c n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j5c n GLU 27 N 0.00 -1.43 -4.37 1.61 1.02 -1.22 -4.67 120.64 111.58 1j5c n GLU 27 Ca 0.00 -1.95 -0.19 0.00 -0.02 0.00 0.00 57.16 55.01 1j5c n GLU 27 Cb 0.00 -1.34 -0.10 0.00 -0.02 0.00 0.00 31.44 29.98 1j5c n GLU 27 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1j5c s GLU 28 N -5.75 1.40 0.20 3.49 2.02 -1.26 0.08 118.70 118.88 1j5c s GLU 28 Ca 0.72 -1.68 0.09 0.00 0.02 0.00 0.00 54.97 54.12 1j5c s GLU 28 Cb -0.02 -0.96 -0.05 0.00 0.10 0.00 0.00 34.13 33.20 1j5c s GLU 28 CO 0.51 0.04 -0.18 0.08 0.02 0.00 0.00 175.26 175.73 1j5c s VAL 29 N -3.14 1.98 -0.05 2.63 1.01 0.18 -2.32 120.40 120.69 1j5c s VAL 29 Ca 0.26 -2.12 0.02 0.00 0.00 0.00 0.00 61.98 60.14 1j5c s VAL 29 Cb 0.03 -2.02 0.02 0.00 0.00 0.00 0.00 36.38 34.41 1j5c s VAL 29 CO 0.09 -0.40 -0.09 -0.75 0.00 0.00 0.00 175.10 173.95 1j5c s LYS 30 N -3.19 1.28 -0.35 2.72 2.20 -1.03 -1.96 119.74 119.42 1j5c s LYS 30 Ca 0.21 -0.27 0.04 0.00 -0.36 0.00 0.00 55.97 55.59 1j5c s LYS 30 Cb -0.04 -1.12 0.10 0.00 -1.51 0.00 0.00 37.83 35.26 1j5c s LYS 30 CO 0.09 -0.02 0.07 -1.58 -0.36 0.00 0.00 175.35 173.54 1j5c s TRP 31 N 0.76 3.61 0.08 4.03 0.51 -0.79 -1.22 118.94 125.92 1j5c s TRP 31 Ca -0.13 -2.95 -0.12 0.00 -2.12 0.00 0.00 56.10 50.78 1j5c s TRP 31 Cb -0.15 -2.85 -0.06 0.00 -0.81 0.00 0.00 33.47 29.60 1j5c s TRP 31 CO 0.02 -0.93 0.44 0.54 -0.51 0.00 0.00 176.95 176.51 1j5c s VAL 32 N 0.86 5.01 -0.11 4.03 0.11 -1.18 -2.24 120.40 126.89 1j5c s VAL 32 Ca 0.11 0.63 -0.24 0.00 -2.93 0.00 0.00 61.98 59.56 1j5c s VAL 32 Cb -0.19 -3.68 -0.03 0.00 -1.53 0.00 0.00 36.38 30.94 1j5c s VAL 32 CO -0.08 0.33 0.74 0.21 -3.33 0.00 0.00 175.10 172.96 1j5c s ASN 33 N -1.62 6.95 -0.04 3.54 2.47 -1.26 -0.77 114.94 124.21 1j5c s ASN 33 Ca 0.33 1.15 -0.04 0.00 0.42 0.00 0.00 52.86 54.71 1j5c s ASN 33 Cb -0.15 -2.42 -0.01 0.00 -1.45 0.00 0.00 41.25 37.22 1j5c s ASN 33 CO 0.18 -0.22 -0.08 -3.20 -3.72 0.00 0.00 177.10 170.05 1j5c n ASN 34 N 4.36 0.47 -1.01 -4.21 5.15 -1.24 -4.55 115.26 114.23 1j5c n ASN 34 Ca 0.01 0.08 -0.00 0.00 -0.60 0.00 0.00 54.58 54.06 1j5c n ASN 34 Cb 0.50 -0.54 0.00 0.00 -0.53 0.00 0.00 39.78 39.21 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 -2.98 0.01 -3.04 1.20 5.02 -1.26 -4.91 118.16 112.21 1j5c n LYS 35 Ca -0.03 -0.01 -0.10 0.00 -2.02 0.00 0.00 58.31 56.14 1j5c n LYS 35 Cb 0.12 0.02 0.05 0.00 -0.02 0.00 0.00 35.03 35.20 1j5c n LYS 35 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1j5c n LEU 36 N 0.00 -5.59 -4.86 -0.35 7.99 -1.26 -4.86 117.00 108.06 1j5c n LEU 36 Ca -0.00 -0.49 -0.31 0.00 -0.01 0.00 0.00 56.01 55.19 1j5c n LEU 36 Cb 0.00 -3.00 -0.04 0.00 -0.11 0.00 0.00 43.42 40.27 1j5c n LEU 36 CO 0.00 -0.20 0.43 -0.94 -1.51 0.00 0.00 177.39 175.17 1j5c s SER 37 N -3.24 6.63 1.03 -1.43 1.04 -1.26 -4.32 113.70 112.15 1j5c s SER 37 Ca 0.31 1.19 -0.04 0.00 0.48 0.00 0.00 55.95 57.89 1j5c s SER 37 Cb -0.04 -2.34 0.06 0.00 0.10 0.00 0.00 66.02 63.80 1j5c s SER 37 CO 0.67 -0.31 0.26 -0.81 0.98 0.00 0.00 173.24 174.04 1j5c n PRO 38 N -0.88 -0.86 -3.22 4.02 -0.04 -1.26 -5.10 135.00 127.66 1j5c n PRO 38 Ca 0.03 -0.41 -0.01 0.00 -0.04 0.00 0.00 63.50 63.06 1j5c n PRO 38 Cb 0.54 -0.32 -0.02 0.00 -0.04 0.00 0.00 33.50 33.65 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 -1.53 -1.54 0.41 0.54 3.76 0.76 -4.95 115.29 112.74 1j5c s HIS 39 Ca 0.16 0.37 0.01 0.00 -0.15 0.00 0.00 55.06 55.44 1j5c s HIS 39 Cb -0.01 0.19 -0.01 0.00 1.11 0.00 0.00 32.58 33.86 1j5c s HIS 39 CO 0.12 -1.11 0.62 -0.80 -0.85 0.00 0.00 174.74 172.71 1j5c s ASN 40 N 2.14 6.00 -0.41 1.40 0.01 -1.26 -3.19 114.94 119.63 1j5c s ASN 40 Ca 0.14 0.33 0.08 0.00 -0.71 0.00 0.00 52.86 52.70 1j5c s ASN 40 Cb -0.08 -1.70 0.28 0.00 0.41 0.00 0.00 41.25 40.17 1j5c s ASN 40 CO -0.14 -0.55 0.72 -0.38 -1.51 0.00 0.00 177.10 175.24 1j5c n ILE 41 N -1.96 -0.35 -2.71 0.60 5.41 -1.11 -3.89 119.36 115.35 1j5c n ILE 41 Ca -0.01 -3.34 -0.42 0.00 1.00 0.00 0.00 62.75 59.98 1j5c n ILE 41 Cb 0.57 -0.43 -0.03 0.00 -0.71 0.00 0.00 39.64 39.04 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 -0.92 4.83 -0.12 1.39 1.01 -0.85 -1.28 120.40 124.45 1j5c s VAL 42 Ca 0.34 2.05 -0.06 0.00 0.00 0.00 0.00 61.98 64.31 1j5c s VAL 42 Cb 0.24 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1j5c s VAL 42 CO -0.12 0.17 0.10 -0.36 0.00 0.00 0.00 175.10 174.89 1j5c s PHE 43 N 0.92 3.47 0.34 5.22 0.40 -1.26 -0.98 117.98 126.09 1j5c s PHE 43 Ca 0.52 0.41 -0.03 0.00 -0.60 0.00 0.00 56.93 57.23 1j5c s PHE 43 Cb -0.21 -1.93 -0.04 0.00 0.51 0.00 0.00 43.02 41.34 1j5c s PHE 43 CO 0.28 0.61 0.59 0.00 0.70 0.00 0.00 175.22 177.40 1j5c s ALA 44 N -0.80 3.61 -1.07 5.36 0.00 0.28 -4.71 121.76 124.43 1j5c s ALA 44 Ca 0.13 -0.67 -0.07 0.00 0.00 0.00 0.00 51.96 51.36 1j5c s ALA 44 Cb -0.12 -2.28 0.27 0.00 0.00 0.00 0.00 23.12 21.00 1j5c s ALA 44 CO 0.03 0.06 1.12 0.00 0.00 0.00 0.00 175.76 176.96 1j5c n ALA 45 N -1.44 4.32 -3.40 0.00 0.00 -1.26 -4.53 120.51 114.19 1j5c n ALA 45 Ca -0.02 -4.68 -0.40 0.00 0.00 0.00 0.00 53.44 48.34 1j5c n ALA 45 Cb 0.55 -2.29 -0.10 0.00 0.00 0.00 0.00 19.45 17.61 1j5c n ALA 45 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1j5c s ASP 46 N 0.48 5.57 0.00 0.00 2.15 -1.26 -4.59 116.67 119.02 1j5c s ASP 46 Ca 0.31 -1.63 0.00 0.00 0.43 0.00 0.00 52.55 51.66 1j5c s ASP 46 Cb -0.07 -1.96 0.00 0.00 -0.30 0.00 0.00 42.92 40.59 1j5c s ASP 46 CO -0.06 -0.56 0.00 0.61 -0.17 0.00 0.00 175.17 175.00 1j5c n GLY 47 N 4.87 1.95 3.90 2.66 0.00 -1.26 -4.93 105.19 112.38 1j5c n GLY 47 Ca -0.09 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.42 3.40 1.08 1.61 1.01 -1.26 -5.04 120.40 120.77 1j5c s VAL 48 Ca 0.00 0.25 -0.12 0.00 0.00 0.00 0.00 61.98 62.11 1j5c s VAL 48 Cb 0.00 -3.42 0.24 0.00 0.00 0.00 0.00 36.38 33.20 1j5c s VAL 48 CO 0.00 -0.50 1.06 -1.81 0.00 0.00 0.00 175.10 173.85 1j5c s ASP 49 N -4.36 1.69 -0.17 3.32 1.11 -1.26 -4.84 116.67 112.16 1j5c s ASP 49 Ca 0.57 1.60 -0.21 0.00 0.18 0.00 0.00 52.55 54.69 1j5c s ASP 49 Cb -0.11 -2.30 -0.18 0.00 1.07 0.00 0.00 42.92 41.41 1j5c s ASP 49 CO 0.49 -3.77 0.35 0.00 1.18 0.00 0.00 175.17 173.42 1j5c h ALA 50 N -2.33 0.12 -0.98 5.23 0.00 -1.96 -2.83 119.26 116.50 1j5c h ALA 50 Ca -0.57 -0.78 0.19 0.00 0.00 0.00 0.00 54.91 53.75 1j5c h ALA 50 Cb 1.32 0.39 -0.09 0.00 0.00 0.00 0.00 17.79 19.40 1j5c h ALA 50 CO 0.50 0.37 0.61 -0.44 0.00 0.00 0.00 179.25 180.29 1j5c h ASP 51 N -1.00 0.71 0.60 0.00 3.32 -1.98 0.42 116.42 118.50 1j5c h ASP 51 Ca -0.16 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 1j5c h ASP 51 Cb 0.99 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 40.50 1j5c h ASP 51 CO -0.10 0.28 -0.29 0.74 -1.72 0.00 0.00 179.24 178.15 1j5c h THR 52 N 0.71 0.10 -0.84 0.35 2.02 -1.96 -2.29 112.91 111.00 1j5c h THR 52 Ca 0.54 -0.40 0.24 0.00 0.77 0.00 0.00 66.41 67.56 1j5c h THR 52 Cb 0.92 0.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 1j5c h THR 52 CO -0.32 0.02 0.60 0.00 0.37 0.00 0.00 175.52 176.19 1j5c h ALA 53 N -1.09 2.72 -0.54 6.16 0.00 -1.10 0.68 119.26 126.09 1j5c h ALA 53 Ca -0.08 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1j5c h ALA 53 Cb 0.65 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1j5c h ALA 53 CO 0.14 -0.96 0.08 0.00 0.00 0.00 0.00 179.25 178.51 1j5c h ALA 54 N 1.59 0.72 0.00 0.00 0.00 0.01 1.53 119.26 123.11 1j5c h ALA 54 Ca 0.40 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1j5c h ALA 54 Cb 1.54 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1j5c h ALA 54 CO -0.02 0.47 -0.40 0.87 0.00 0.00 0.00 179.25 180.17 1j5c h LYS 55 N 0.79 0.00 -0.04 0.00 1.57 0.75 -2.66 116.57 116.98 1j5c h LYS 55 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1j5c h LYS 55 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1j5c h LYS 55 CO 0.01 0.40 0.00 1.28 -0.57 0.00 0.00 179.45 180.57 1j5c n LEU 56 N -3.35 2.42 -4.73 2.94 4.77 0.91 -4.81 117.00 115.15 1j5c n LEU 56 Ca 0.01 -0.82 -0.37 0.00 -0.03 0.00 0.00 56.01 54.80 1j5c n LEU 56 Cb 0.60 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.61 1j5c n LEU 56 CO 0.38 0.41 0.04 -0.55 -1.33 0.00 0.00 177.39 176.34 1j5c s SER 57 N -1.98 6.53 -0.46 -1.43 0.15 0.52 -4.45 113.70 112.58 1j5c s SER 57 Ca 0.32 0.62 -0.07 0.00 0.70 0.00 0.00 55.95 57.52 1j5c s SER 57 Cb 0.20 -2.21 0.12 0.00 -1.71 0.00 0.00 66.02 62.42 1j5c s SER 57 CO 0.31 0.09 0.31 -1.00 1.20 0.00 0.00 173.24 174.15 1j5c s HIS 58 N 0.40 3.48 0.55 3.44 3.76 -0.40 -4.83 115.29 121.68 1j5c s HIS 58 Ca 0.20 -2.05 0.50 0.00 -0.15 0.00 0.00 55.06 53.55 1j5c s HIS 58 Cb -0.14 -3.42 1.73 0.00 1.11 0.00 0.00 32.58 31.87 1j5c s HIS 58 CO 0.06 -0.99 1.57 0.87 -0.85 0.00 0.00 174.74 175.41 1j5c h LYS 59 N 8.30 0.00 0.00 1.40 6.56 -1.94 -2.49 116.57 128.40 1j5c h LYS 59 Ca -0.18 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.41 1j5c h LYS 59 Cb 1.06 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.72 1j5c h LYS 59 CO 0.81 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 178.61 1j5c n GLY 60 N -1.91 0.60 1.95 3.86 0.00 -1.26 -4.65 105.19 103.79 1j5c n GLY 60 Ca 0.45 -1.73 -0.06 0.00 0.00 0.00 0.00 46.02 44.68 1j5c n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j5c n LEU 61 N 0.00 -2.36 -4.27 0.99 4.77 -1.26 -4.92 117.00 109.95 1j5c n LEU 61 Ca 0.00 -0.13 -0.39 0.00 -0.03 0.00 0.00 56.01 55.46 1j5c n LEU 61 Cb 0.00 -1.11 -0.12 0.00 -2.33 0.00 0.00 43.42 39.86 1j5c n LEU 61 CO 0.00 0.15 -0.20 0.00 -1.33 0.00 0.00 177.39 176.01 1j5c s ALA 62 N -3.08 3.14 0.00 -1.18 0.00 -1.19 -4.81 121.76 114.64 1j5c s ALA 62 Ca 0.12 -1.90 0.00 0.00 0.00 0.00 0.00 51.96 50.18 1j5c s ALA 62 Cb -0.05 -2.41 0.00 0.00 0.00 0.00 0.00 23.12 20.65 1j5c s ALA 62 CO 0.18 -1.46 0.00 1.97 0.00 0.00 0.00 175.76 176.45 1j5c n PHE 63 N 4.84 0.00 -2.61 0.00 -1.74 -1.26 -0.17 117.46 116.53 1j5c n PHE 63 Ca -0.11 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.35 1j5c n PHE 63 Cb 0.44 0.23 -0.02 0.00 1.52 0.00 0.00 39.48 41.65 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 -1.49 3.51 1.02 1.98 0.00 -1.26 -4.87 121.76 120.65 1j5c s ALA 64 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 51.96 51.83 1j5c s ALA 64 Cb 0.00 -3.67 0.11 0.00 0.00 0.00 0.00 23.12 19.55 1j5c s ALA 64 CO 0.00 -1.47 0.52 0.00 0.00 0.00 0.00 175.76 174.81 1j5c n ALA 65 N 6.89 -2.72 0.00 0.00 0.00 -1.26 -2.88 120.51 120.54 1j5c n ALA 65 Ca 0.12 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1j5c n ALA 65 Cb 0.47 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.09 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 1.35 2.01 3.52 0.00 0.00 -1.26 -4.94 105.19 105.86 1j5c n GLY 66 Ca 0.06 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 3.27 0.44 1.61 2.02 -1.14 -5.00 118.70 119.90 1j5c s GLU 67 Ca 0.00 -0.33 0.06 0.00 0.02 0.00 0.00 54.97 54.72 1j5c s GLU 67 Cb 0.00 -4.12 -0.04 0.00 0.10 0.00 0.00 34.13 30.07 1j5c s GLU 67 CO 0.00 -1.74 0.14 -1.54 0.02 0.00 0.00 175.26 172.14 1j5c s SER 68 N 3.26 4.28 0.40 -0.19 1.04 -1.26 -4.40 113.70 116.83 1j5c s SER 68 Ca 0.31 -1.24 0.07 0.00 0.48 0.00 0.00 55.95 55.57 1j5c s SER 68 Cb -0.12 -0.23 -0.08 0.00 0.10 0.00 0.00 66.02 65.69 1j5c s SER 68 CO 0.17 -0.62 0.01 -0.36 0.98 0.00 0.00 173.24 173.42 1j5c s PHE 69 N -2.68 2.45 -0.00 5.02 0.08 -0.95 -4.98 117.98 116.92 1j5c s PHE 69 Ca 0.34 -0.69 -0.09 0.00 0.12 0.00 0.00 56.93 56.61 1j5c s PHE 69 Cb 0.04 -1.70 0.01 0.00 -0.57 0.00 0.00 43.02 40.80 1j5c s PHE 69 CO 0.19 0.41 0.18 0.99 -0.10 0.00 0.00 175.22 176.88 1j5c s THR 70 N -2.77 0.07 -0.07 0.64 2.01 -1.26 -1.88 115.64 112.39 1j5c s THR 70 Ca 0.35 -0.61 -0.07 0.00 0.31 0.00 0.00 61.69 61.66 1j5c s THR 70 Cb 0.09 -0.46 0.02 0.00 0.01 0.00 0.00 72.50 72.16 1j5c s THR 70 CO 0.18 -0.34 0.20 -0.94 -0.69 0.00 0.00 174.62 173.03 1j5c s SER 71 N -1.30 -0.19 -0.20 3.53 1.04 -0.83 -4.95 113.70 110.81 1j5c s SER 71 Ca -0.14 0.34 -0.10 0.00 0.48 0.00 0.00 55.95 56.54 1j5c s SER 71 Cb -0.07 0.40 -0.05 0.00 0.10 0.00 0.00 66.02 66.40 1j5c s SER 71 CO 0.02 -0.11 0.13 -0.89 0.98 0.00 0.00 173.24 173.37 1j5c s THR 72 N -0.09 5.41 -0.57 2.02 2.01 -1.26 0.49 115.64 123.66 1j5c s THR 72 Ca -0.02 0.19 -0.16 0.00 0.31 0.00 0.00 61.69 62.02 1j5c s THR 72 Cb -0.02 -3.47 0.14 0.00 0.01 0.00 0.00 72.50 69.16 1j5c s THR 72 CO 0.01 0.45 0.52 -0.36 -0.69 0.00 0.00 174.62 174.55 1j5c s PHE 73 N 0.29 3.30 -0.20 4.92 0.40 0.11 -4.88 117.98 121.93 1j5c s PHE 73 Ca 0.08 -1.37 -0.19 0.00 -0.60 0.00 0.00 56.93 54.85 1j5c s PHE 73 Cb -0.11 -3.79 -0.16 0.00 0.51 0.00 0.00 43.02 39.47 1j5c s PHE 73 CO -0.02 -1.02 0.10 2.41 0.70 0.00 0.00 175.22 177.40 1j5c n THR 74 N 5.12 1.51 -2.43 0.64 -1.04 -1.26 0.23 114.28 117.04 1j5c n THR 74 Ca -0.11 -0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.47 1j5c n THR 74 Cb 0.41 -2.10 -0.02 0.00 -1.82 0.00 0.00 70.33 66.79 1j5c n THR 74 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1j5c s GLU 75 N -2.35 4.25 -1.14 -2.82 8.01 -1.26 -4.32 118.70 119.06 1j5c s GLU 75 Ca -0.27 1.66 -0.19 0.00 0.01 0.00 0.00 54.97 56.19 1j5c s GLU 75 Cb 0.06 -3.73 -0.05 0.00 -4.31 0.00 0.00 34.13 26.10 1j5c s GLU 75 CO 0.52 -0.67 2.00 -0.35 0.01 0.00 0.00 175.26 176.77 1j5c n PRO 76 N 6.39 2.23 0.00 0.39 -0.04 -1.26 -4.75 135.00 137.95 1j5c n PRO 76 Ca 0.13 -2.41 0.00 0.00 -0.04 0.00 0.00 63.50 61.19 1j5c n PRO 76 Cb 0.45 -3.25 0.00 0.00 -0.04 0.00 0.00 33.50 30.66 1j5c n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j5c n GLY 77 N 4.70 5.39 2.68 0.55 0.00 -1.26 -4.85 105.19 112.40 1j5c n GLY 77 Ca 0.50 -1.33 -0.27 0.00 0.00 0.00 0.00 46.02 44.92 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 2.47 0.33 0.22 2.61 2.01 -1.26 0.10 115.64 122.12 1j5c s THR 78 Ca 0.00 -0.53 -0.11 0.00 0.31 0.00 0.00 61.69 61.36 1j5c s THR 78 Cb 0.00 -0.95 -0.07 0.00 0.01 0.00 0.00 72.50 71.49 1j5c s THR 78 CO 0.00 -0.31 0.56 -0.31 -0.69 0.00 0.00 174.62 173.88 1j5c s TYR 79 N 1.94 3.46 0.03 4.92 1.51 -1.09 -4.93 117.35 123.18 1j5c s TYR 79 Ca 0.01 0.94 0.01 0.00 -1.01 0.00 0.00 57.07 57.02 1j5c s TYR 79 Cb -0.17 -2.30 -0.02 0.00 -0.11 0.00 0.00 41.96 39.36 1j5c s TYR 79 CO -0.12 0.29 -0.05 0.99 -1.11 0.00 0.00 175.55 175.55 1j5c s THR 80 N -1.76 0.30 0.24 -0.71 2.01 -1.26 -1.92 115.64 112.54 1j5c s THR 80 Ca 0.46 -0.84 -0.13 0.00 0.31 0.00 0.00 61.69 61.49 1j5c s THR 80 Cb -0.12 -0.39 -0.00 0.00 0.01 0.00 0.00 72.50 72.00 1j5c s THR 80 CO 0.20 -0.35 0.47 -0.72 -0.69 0.00 0.00 174.62 173.53 1j5c s TYR 81 N -1.18 0.33 0.20 4.92 -0.85 -1.25 -0.56 117.35 118.95 1j5c s TYR 81 Ca -0.11 -0.69 0.01 0.00 -0.52 0.00 0.00 57.07 55.76 1j5c s TYR 81 Cb -0.08 0.20 -0.05 0.00 0.38 0.00 0.00 41.96 42.41 1j5c s TYR 81 CO -0.00 -0.98 0.06 1.52 -1.52 0.00 0.00 175.55 174.62 1j5c s TYR 82 N -4.01 1.25 -0.61 -3.49 1.13 -0.15 -4.81 117.35 106.66 1j5c s TYR 82 Ca 0.21 -1.15 0.01 0.00 -1.41 0.00 0.00 57.07 54.73 1j5c s TYR 82 Cb -0.01 -0.70 0.41 0.00 -1.10 0.00 0.00 41.96 40.56 1j5c s TYR 82 CO 0.08 -0.36 1.66 0.00 -2.51 0.00 0.00 175.55 174.42 1j5c n GLU 84 N -0.65 -1.96 -0.96 0.00 1.02 -1.26 -3.62 120.64 113.21 1j5c n GLU 84 Ca 0.51 1.41 -0.27 0.00 -0.02 0.00 0.00 57.16 58.79 1j5c n GLU 84 Cb 0.57 -2.48 -0.03 0.00 -0.02 0.00 0.00 31.44 29.48 1j5c n GLU 84 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1j5c n PRO 85 N -3.27 2.65 -3.14 3.49 -0.04 -1.26 -4.81 135.00 128.62 1j5c n PRO 85 Ca -0.01 -1.67 -0.39 0.00 -0.04 0.00 0.00 63.50 61.39 1j5c n PRO 85 Cb 0.62 -2.52 -0.06 0.00 -0.04 0.00 0.00 33.50 31.49 1j5c n PRO 85 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1j5c s HIS 86 N 2.73 3.81 0.00 0.54 -3.43 -1.24 -4.34 115.29 113.37 1j5c s HIS 86 Ca 0.52 1.40 0.00 0.00 -0.80 0.00 0.00 55.06 56.18 1j5c s HIS 86 Cb 0.15 -2.64 0.00 0.00 -1.43 0.00 0.00 32.58 28.66 1j5c s HIS 86 CO -0.04 0.49 0.00 0.54 -2.00 0.00 0.00 174.74 173.73 1j5c n ARG 87 N 1.97 0.00 0.00 -0.38 5.12 -1.26 -3.82 116.66 118.29 1j5c n ARG 87 Ca -0.07 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.85 1j5c n ARG 87 Cb 0.50 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.80 1j5c n ARG 87 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1j5c n GLY 88 N 0.00 0.61 1.34 -0.13 0.00 -1.26 -5.07 105.19 100.69 1j5c n GLY 88 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 2.69 -1.06 4.61 0.00 -1.25 -5.09 120.51 120.41 1j5c n ALA 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1j5c n ALA 89 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.47 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 1.57 0.86 3.32 0.00 0.00 -1.26 -5.01 105.19 104.67 1j5c n GLY 90 Ca 0.00 -0.44 -0.39 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.98 0.17 -0.59 1.61 0.00 -1.26 -4.99 117.12 111.08 1j5c n MET 91 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 57.70 57.77 1j5c n MET 91 Cb 0.34 -1.24 0.00 0.00 0.00 0.00 0.00 33.22 32.32 1j5c n MET 91 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 1j5c n VAL 92 N -1.60 0.00 0.00 3.17 0.24 -1.26 -4.75 118.33 114.13 1j5c n VAL 92 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 1j5c n VAL 92 Cb 0.47 -0.87 0.00 0.00 -1.47 0.00 0.00 33.84 31.97 1j5c n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1j5c n GLY 93 N 5.00 2.96 3.42 7.63 0.00 -1.26 -4.42 105.19 118.52 1j5c n GLY 93 Ca 0.00 -1.26 -0.17 0.00 0.00 0.00 0.00 46.02 44.59 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 -5.14 1.90 0.27 1.61 -2.85 -0.30 -4.37 119.74 110.85 1j5c s LYS 94 Ca 0.00 -1.88 0.12 0.00 -1.00 0.00 0.00 55.97 53.21 1j5c s LYS 94 Cb 0.00 0.41 -0.05 0.00 -2.06 0.00 0.00 37.83 36.13 1j5c s LYS 94 CO 0.00 -0.76 -0.19 0.08 0.10 0.00 0.00 175.35 174.58 1j5c s VAL 95 N -3.11 2.55 -0.12 1.79 1.01 -0.81 -3.42 120.40 118.30 1j5c s VAL 95 Ca 0.34 -2.31 -0.02 0.00 0.00 0.00 0.00 61.98 59.99 1j5c s VAL 95 Cb 0.00 -2.33 0.04 0.00 0.00 0.00 0.00 36.38 34.10 1j5c s VAL 95 CO 0.24 -0.36 0.01 -0.69 0.00 0.00 0.00 175.10 174.29 1j5c s VAL 96 N -2.38 0.50 0.44 2.92 1.01 -1.13 -2.67 120.40 119.09 1j5c s VAL 96 Ca 0.29 -0.16 -0.21 0.00 0.00 0.00 0.00 61.98 61.89 1j5c s VAL 96 Cb -0.06 -0.77 -0.10 0.00 0.00 0.00 0.00 36.38 35.46 1j5c s VAL 96 CO 0.15 0.10 0.98 -0.69 0.00 0.00 0.00 175.10 175.64 1j5c s VAL 97 N 1.90 4.18 0.00 2.92 1.01 0.11 -1.81 120.40 128.72 1j5c s VAL 97 Ca 0.03 1.38 0.00 0.00 0.00 0.00 0.00 61.98 63.39 1j5c s VAL 97 Cb -0.14 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1j5c s VAL 97 CO -0.07 -0.27 0.17 -0.67 0.00 0.00 0.00 175.10 174.26