#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 6.48 0.51 0.00 4.22 -1.26 -4.91 114.94 119.97 1j5c s ASN 2 Ca 0.00 1.04 -0.15 0.00 -2.14 0.00 0.00 52.86 51.61 1j5c s ASN 2 Cb 0.00 -2.28 -0.07 0.00 1.28 0.00 0.00 41.25 40.17 1j5c s ASN 2 CO 0.00 -0.39 0.95 0.00 -2.04 0.00 0.00 177.10 175.62 1j5c s ALA 3 N -2.36 3.13 0.15 3.54 0.00 -1.18 -4.97 121.76 120.06 1j5c s ALA 3 Ca 0.50 0.07 -0.08 0.00 0.00 0.00 0.00 51.96 52.45 1j5c s ALA 3 Cb -0.10 -3.03 -0.01 0.00 0.00 0.00 0.00 23.12 19.97 1j5c s ALA 3 CO 0.33 -0.25 0.25 -0.08 0.00 0.00 0.00 175.76 176.01 1j5c s THR 4 N -2.64 0.08 0.03 0.00 -1.32 -1.26 -2.68 115.64 107.84 1j5c s THR 4 Ca 0.57 -1.43 -0.08 0.00 -1.21 0.00 0.00 61.69 59.54 1j5c s THR 4 Cb -0.10 -1.83 -0.00 0.00 -1.51 0.00 0.00 72.50 69.06 1j5c s THR 4 CO 0.34 -0.34 0.16 -0.69 -2.21 0.00 0.00 174.62 171.88 1j5c s VAL 5 N -3.97 0.11 -0.18 5.08 1.01 -0.73 -4.77 120.40 116.94 1j5c s VAL 5 Ca 0.17 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 1j5c s VAL 5 Cb 0.04 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.62 1j5c s VAL 5 CO -0.01 -0.49 -0.03 -0.54 0.00 0.00 0.00 175.10 174.04 1j5c s LYS 6 N -2.24 3.59 -0.70 2.72 1.02 -1.15 -2.95 119.74 120.03 1j5c s LYS 6 Ca -0.08 -0.54 -0.26 0.00 0.02 0.00 0.00 55.97 55.11 1j5c s LYS 6 Cb -0.03 -2.99 -0.04 0.00 -0.52 0.00 0.00 37.83 34.25 1j5c s LYS 6 CO -0.02 0.07 1.99 -1.64 -0.92 0.00 0.00 175.35 174.83 1j5c s MET 7 N 0.81 2.47 0.00 1.68 -1.94 -1.07 -2.89 119.30 118.37 1j5c s MET 7 Ca -0.01 0.43 0.00 0.00 -1.71 0.00 0.00 55.69 54.40 1j5c s MET 7 Cb -0.14 -4.64 0.00 0.00 2.01 0.00 0.00 34.83 32.06 1j5c s MET 7 CO 0.02 -3.11 0.00 0.41 -0.01 0.00 0.00 175.02 172.33 1j5c n GLY 8 N 6.15 0.86 3.84 -0.03 0.00 -1.25 -3.70 105.19 111.06 1j5c n GLY 8 Ca 0.30 -1.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.45 3.43 0.00 1.61 0.01 -1.21 -3.89 113.70 113.20 1j5c s SER 9 Ca 0.00 0.68 0.28 0.00 1.31 0.00 0.00 55.95 58.22 1j5c s SER 9 Cb 0.00 -1.05 1.10 0.00 0.21 0.00 0.00 66.02 66.29 1j5c s SER 9 CO 0.00 -2.57 1.79 0.47 0.41 0.00 0.00 173.24 173.33 1j5c n ASP 10 N -3.74 0.54 -0.10 2.44 8.00 -1.26 -4.06 116.55 118.38 1j5c n ASP 10 Ca 0.10 -0.55 -0.16 0.00 0.71 0.00 0.00 54.79 54.89 1j5c n ASP 10 Cb 0.60 -0.04 -0.05 0.00 -0.02 0.00 0.00 41.12 41.60 1j5c n ASP 10 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1j5c n SER 11 N -0.96 1.80 0.00 -2.24 2.88 -1.26 -5.05 113.62 108.79 1j5c n SER 11 Ca 0.13 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.98 1j5c n SER 11 Cb 0.30 -0.71 0.00 0.00 -0.75 0.00 0.00 64.21 63.04 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 1.58 -1.13 3.26 0.46 0.00 -1.26 -5.17 105.19 102.92 1j5c n GLY 12 Ca -0.29 0.43 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 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 0.57 -0.07 4.61 0.00 -1.26 -4.94 120.51 119.42 1j5c n ALA 13 Ca 0.00 -2.01 -0.05 0.00 0.00 0.00 0.00 53.44 51.37 1j5c n ALA 13 Cb 0.00 1.38 -0.02 0.00 0.00 0.00 0.00 19.45 20.81 1j5c n ALA 13 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1j5c n LEU 14 N 0.00 1.61 -4.47 0.00 7.94 -1.26 -3.76 117.00 117.06 1j5c n LEU 14 Ca -0.04 0.47 -0.48 0.00 -1.11 0.00 0.00 56.01 54.85 1j5c n LEU 14 Cb 0.60 -0.78 -0.03 0.00 0.53 0.00 0.00 43.42 43.73 1j5c n LEU 14 CO 0.31 -0.41 0.25 1.33 -1.11 0.00 0.00 177.39 177.77 1j5c n VAL 15 N -4.27 1.69 -3.17 1.96 0.24 -1.26 -3.93 118.33 109.60 1j5c n VAL 15 Ca -0.08 -0.42 -0.33 0.00 -2.04 0.00 0.00 64.34 61.46 1j5c n VAL 15 Cb 0.31 -0.32 -0.06 0.00 -1.47 0.00 0.00 33.84 32.31 1j5c n VAL 15 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1j5c s PHE 16 N -0.83 3.42 -0.02 6.34 0.40 -1.26 -3.31 117.98 122.72 1j5c s PHE 16 Ca 0.66 1.19 0.00 0.00 -0.60 0.00 0.00 56.93 58.19 1j5c s PHE 16 Cb -0.90 -2.51 0.03 0.00 0.51 0.00 0.00 43.02 40.15 1j5c s PHE 16 CO 0.57 0.15 0.02 -2.00 0.70 0.00 0.00 175.22 174.66 1j5c s GLU 17 N -2.81 0.05 0.11 0.44 -6.30 -1.14 -1.05 118.70 108.00 1j5c s GLU 17 Ca 0.51 0.16 -0.30 0.00 -2.50 0.00 0.00 54.97 52.85 1j5c s GLU 17 Cb -0.11 -0.31 -0.06 0.00 0.00 0.00 0.00 34.13 33.64 1j5c s GLU 17 CO 0.18 -0.16 1.14 -1.25 0.02 0.00 0.00 175.26 175.19 1j5c s PRO 18 N 1.08 4.51 0.15 4.30 0.04 -1.26 -2.95 135.00 140.86 1j5c s PRO 18 Ca -0.09 1.73 -0.23 0.00 0.04 0.00 0.00 61.00 62.45 1j5c s PRO 18 Cb -0.13 -3.32 0.03 0.00 0.04 0.00 0.00 34.50 31.12 1j5c s PRO 18 CO -0.03 -0.09 1.62 0.66 0.04 0.00 0.00 177.00 179.21 1j5c h SER 19 N 5.98 -0.83 -3.22 6.66 4.64 -1.45 -3.41 113.55 121.92 1j5c h SER 19 Ca -0.43 0.15 -0.67 0.00 -0.47 0.00 0.00 61.79 60.36 1j5c h SER 19 Cb 1.21 0.39 -0.13 0.00 -0.31 0.00 0.00 62.40 63.56 1j5c h SER 19 CO 0.77 -0.29 -0.60 -0.89 -0.87 0.00 0.00 176.83 174.94 1j5c s THR 20 N -6.07 4.48 -0.06 2.95 2.01 -1.26 0.24 115.64 117.93 1j5c s THR 20 Ca -0.15 -0.28 -0.07 0.00 0.31 0.00 0.00 61.69 61.51 1j5c s THR 20 Cb 0.12 -2.93 0.02 0.00 0.01 0.00 0.00 72.50 69.72 1j5c s THR 20 CO 0.68 0.54 0.18 0.68 -0.69 0.00 0.00 174.62 176.01 1j5c s VAL 21 N -0.98 0.01 0.01 3.82 -7.23 -1.17 -4.98 120.40 109.89 1j5c s VAL 21 Ca 0.16 -0.08 -0.14 0.00 -1.81 0.00 0.00 61.98 60.11 1j5c s VAL 21 Cb -0.12 -0.29 -0.06 0.00 0.56 0.00 0.00 36.38 36.48 1j5c s VAL 21 CO 0.05 -0.04 0.40 0.42 -0.31 0.00 0.00 175.10 175.61 1j5c s THR 22 N -0.08 5.06 0.06 5.32 -4.23 -1.26 -1.41 115.64 119.09 1j5c s THR 22 Ca -0.02 0.77 0.02 0.00 -1.18 0.00 0.00 61.69 61.28 1j5c s THR 22 Cb -0.02 -3.69 -0.03 0.00 1.34 0.00 0.00 72.50 70.10 1j5c s THR 22 CO 0.00 0.54 -0.08 -0.51 -0.54 0.00 0.00 174.62 174.04 1j5c s ILE 23 N -1.12 0.60 0.51 2.99 2.07 0.21 -4.55 121.20 121.91 1j5c s ILE 23 Ca 0.24 -1.36 -0.02 0.00 -1.41 0.00 0.00 60.65 58.11 1j5c s ILE 23 Cb -0.16 -0.96 0.01 0.00 0.13 0.00 0.00 42.46 41.48 1j5c s ILE 23 CO 0.13 -0.54 0.77 -0.54 -1.91 0.00 0.00 174.94 172.86 1j5c s LYS 24 N -2.30 2.95 -0.13 3.50 -0.14 -1.26 0.19 119.74 122.55 1j5c s LYS 24 Ca -0.03 -0.34 -0.29 0.00 -1.36 0.00 0.00 55.97 53.94 1j5c s LYS 24 Cb -0.05 -2.45 -0.03 0.00 -1.68 0.00 0.00 37.83 33.63 1j5c s LYS 24 CO -0.01 -0.48 1.36 0.00 -0.76 0.00 0.00 175.35 175.46 1j5c s ALA 25 N -2.74 3.65 0.00 5.17 0.00 -0.17 -2.24 121.76 125.42 1j5c s ALA 25 Ca 0.51 0.59 0.00 0.00 0.00 0.00 0.00 51.96 53.06 1j5c s ALA 25 Cb -0.10 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.37 1j5c s ALA 25 CO 0.41 -1.21 0.00 0.41 0.00 0.00 0.00 175.76 175.36 1j5c n GLY 26 N 3.73 3.04 3.78 0.00 0.00 0.28 -5.00 105.19 111.02 1j5c n GLY 26 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.64 -0.42 0.38 1.61 2.02 -0.95 -4.55 118.70 116.14 1j5c s GLU 27 Ca 0.00 -0.34 0.05 0.00 0.02 0.00 0.00 54.97 54.70 1j5c s GLU 27 Cb 0.00 -1.72 -0.03 0.00 0.10 0.00 0.00 34.13 32.49 1j5c s GLU 27 CO 0.00 -3.13 0.18 -1.83 0.02 0.00 0.00 175.26 170.50 1j5c s GLU 28 N -5.73 1.86 -0.05 1.61 -1.05 -1.26 -0.90 118.70 113.19 1j5c s GLU 28 Ca 0.74 -2.11 0.03 0.00 -0.15 0.00 0.00 54.97 53.48 1j5c s GLU 28 Cb -0.05 -0.26 0.00 0.00 -0.44 0.00 0.00 34.13 33.38 1j5c s GLU 28 CO 0.55 -0.54 -0.13 0.08 0.95 0.00 0.00 175.26 176.16 1j5c s VAL 29 N -3.31 1.17 -0.24 1.83 1.01 0.17 -3.11 120.40 117.92 1j5c s VAL 29 Ca 0.30 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 61.66 1j5c s VAL 29 Cb 0.02 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 1j5c s VAL 29 CO 0.19 0.35 0.08 -0.75 0.00 0.00 0.00 175.10 174.97 1j5c s LYS 30 N 0.31 3.73 -0.48 2.72 2.20 -1.09 -1.71 119.74 125.42 1j5c s LYS 30 Ca -0.08 -0.44 -0.09 0.00 -0.36 0.00 0.00 55.97 55.00 1j5c s LYS 30 Cb -0.12 -3.34 0.12 0.00 -1.51 0.00 0.00 37.83 32.98 1j5c s LYS 30 CO 0.02 -0.12 0.36 -1.58 -0.36 0.00 0.00 175.35 173.67 1j5c s TRP 31 N 1.46 3.43 -0.07 4.03 0.51 -0.84 -1.78 118.94 125.68 1j5c s TRP 31 Ca 0.06 -1.88 -0.22 0.00 -2.12 0.00 0.00 56.10 51.94 1j5c s TRP 31 Cb -0.15 -3.51 -0.04 0.00 -0.81 0.00 0.00 33.47 28.96 1j5c s TRP 31 CO 0.04 -0.99 0.62 0.08 -0.51 0.00 0.00 176.95 176.19 1j5c s VAL 32 N 1.32 5.06 -0.73 4.03 1.01 -1.15 -2.52 120.40 127.43 1j5c s VAL 32 Ca 0.06 1.28 -0.27 0.00 0.00 0.00 0.00 61.98 63.05 1j5c s VAL 32 Cb -0.26 -3.96 0.02 0.00 0.00 0.00 0.00 36.38 32.18 1j5c s VAL 32 CO -0.01 0.30 1.35 0.21 0.00 0.00 0.00 175.10 176.94 1j5c s ASN 33 N 0.60 6.06 -0.05 3.32 2.47 -1.26 -2.59 114.94 123.48 1j5c s ASN 33 Ca 0.33 -0.37 -0.04 0.00 0.42 0.00 0.00 52.86 53.21 1j5c s ASN 33 Cb -0.17 -2.56 -0.02 0.00 -1.45 0.00 0.00 41.25 37.05 1j5c s ASN 33 CO 0.16 -1.90 0.19 -1.13 -3.72 0.00 0.00 177.10 170.70 1j5c h ASN 34 N 10.58 -0.11 -0.84 -4.21 -1.24 -1.94 -3.38 115.58 114.44 1j5c h ASN 34 Ca -0.28 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.74 1j5c h ASN 34 Cb 1.06 0.03 0.00 0.00 0.73 0.00 0.00 38.32 40.14 1j5c h ASN 34 CO 1.27 0.22 0.00 0.29 -1.29 0.00 0.00 177.43 177.92 1j5c n LYS 35 N -3.98 0.00 -3.00 6.67 4.76 -1.24 -4.89 118.16 116.47 1j5c n LYS 35 Ca -0.02 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.38 1j5c n LYS 35 Cb 0.05 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.26 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 -6.10 -4.93 -0.35 7.99 -1.26 -4.79 117.00 107.56 1j5c n LEU 36 Ca 0.00 -0.26 -0.29 0.00 -0.01 0.00 0.00 56.01 55.45 1j5c n LEU 36 Cb 0.00 -3.11 -0.04 0.00 -0.11 0.00 0.00 43.42 40.17 1j5c n LEU 36 CO 0.00 -0.66 -0.08 -0.94 -1.51 0.00 0.00 177.39 174.19 1j5c s SER 37 N -3.07 6.37 0.69 -1.43 1.04 -1.26 -4.28 113.70 111.76 1j5c s SER 37 Ca 0.14 0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.87 1j5c s SER 37 Cb -0.02 -1.97 0.00 0.00 0.10 0.00 0.00 66.02 64.14 1j5c s SER 37 CO 0.69 0.08 0.00 -0.81 0.98 0.00 0.00 173.24 174.19 1j5c n PRO 38 N -0.16 -0.05 -3.65 4.02 -0.04 -1.26 -5.06 135.00 128.81 1j5c n PRO 38 Ca -0.05 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.32 1j5c n PRO 38 Cb 0.52 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.91 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 -0.69 -0.95 -0.12 0.54 3.76 -1.01 -4.82 115.29 112.00 1j5c s HIS 39 Ca 0.00 1.98 0.00 0.00 -0.15 0.00 0.00 55.06 56.89 1j5c s HIS 39 Cb 0.00 0.51 0.02 0.00 1.11 0.00 0.00 32.58 34.23 1j5c s HIS 39 CO 0.00 -0.47 -0.11 -0.80 -0.85 0.00 0.00 174.74 172.51 1j5c s ASN 40 N 1.33 2.29 -1.11 1.40 -0.87 -1.26 -0.96 114.94 115.77 1j5c s ASN 40 Ca -0.08 -0.36 -0.08 0.00 -1.57 0.00 0.00 52.86 50.77 1j5c s ASN 40 Cb -0.05 -0.95 0.29 0.00 -0.02 0.00 0.00 41.25 40.51 1j5c s ASN 40 CO -0.15 -0.07 1.21 -0.38 -2.57 0.00 0.00 177.10 175.14 1j5c n ILE 41 N 4.69 4.75 -3.01 0.60 5.41 -1.25 -4.17 119.36 126.37 1j5c n ILE 41 Ca -0.16 -5.52 -0.35 0.00 1.00 0.00 0.00 62.75 57.73 1j5c n ILE 41 Cb 0.50 -2.46 -0.06 0.00 -0.71 0.00 0.00 39.64 36.91 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 -1.66 4.51 -0.06 1.39 1.01 -1.20 -1.48 120.40 122.91 1j5c s VAL 42 Ca 0.31 1.31 0.05 0.00 0.00 0.00 0.00 61.98 63.64 1j5c s VAL 42 Cb -0.06 -3.77 -0.00 0.00 0.00 0.00 0.00 36.38 32.54 1j5c s VAL 42 CO -0.03 -0.00 -0.22 -0.36 0.00 0.00 0.00 175.10 174.48 1j5c s PHE 43 N -1.78 2.22 0.41 5.22 0.40 -1.26 -2.01 117.98 121.18 1j5c s PHE 43 Ca 0.50 -0.73 -0.12 0.00 -0.60 0.00 0.00 56.93 55.99 1j5c s PHE 43 Cb -0.14 -1.48 -0.07 0.00 0.51 0.00 0.00 43.02 41.85 1j5c s PHE 43 CO 0.19 -0.25 0.80 0.00 0.70 0.00 0.00 175.22 176.65 1j5c s ALA 44 N 0.06 3.31 -0.85 5.36 0.00 -0.95 -4.75 121.76 123.93 1j5c s ALA 44 Ca -0.08 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.76 1j5c s ALA 44 Cb -0.14 -2.77 0.23 0.00 0.00 0.00 0.00 23.12 20.44 1j5c s ALA 44 CO 0.05 -0.00 0.84 0.00 0.00 0.00 0.00 175.76 176.64 1j5c n ALA 45 N -1.23 4.00 -1.05 0.00 0.00 -1.26 -4.69 120.51 116.28 1j5c n ALA 45 Ca 0.03 -4.66 0.00 0.00 0.00 0.00 0.00 53.44 48.81 1j5c n ALA 45 Cb 0.54 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 1.84 0.00 -1.42 0.00 9.92 -1.26 -4.57 116.55 121.05 1j5c n ASP 46 Ca 0.24 0.00 -0.06 0.00 -0.53 0.00 0.00 54.79 54.44 1j5c n ASP 46 Cb 0.37 0.00 0.13 0.00 -0.64 0.00 0.00 41.12 40.98 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 2.54 2.80 3.18 0.44 0.00 -1.26 -4.85 105.19 108.05 1j5c n GLY 47 Ca 0.00 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.66 0.13 1.25 1.61 1.01 -1.26 -5.01 120.40 116.47 1j5c s VAL 48 Ca 0.26 -1.65 -0.18 0.00 0.00 0.00 0.00 61.98 60.42 1j5c s VAL 48 Cb 0.21 -1.75 0.30 0.00 0.00 0.00 0.00 36.38 35.15 1j5c s VAL 48 CO 0.06 -0.60 1.03 -0.62 0.00 0.00 0.00 175.10 174.97 1j5c s ASP 49 N -2.97 0.45 -0.18 3.32 2.15 -1.26 -4.76 116.67 113.42 1j5c s ASP 49 Ca 0.15 0.96 -0.12 0.00 0.43 0.00 0.00 52.55 53.97 1j5c s ASP 49 Cb 0.06 -1.43 -0.21 0.00 -0.30 0.00 0.00 42.92 41.04 1j5c s ASP 49 CO -0.04 -4.45 0.18 0.00 -0.17 0.00 0.00 175.17 170.69 1j5c n ALA 50 N -5.03 0.93 -0.22 3.66 0.00 -1.26 -2.74 120.51 115.85 1j5c n ALA 50 Ca 0.09 -0.65 -0.04 0.00 0.00 0.00 0.00 53.44 52.84 1j5c n ALA 50 Cb 0.58 -0.50 0.07 0.00 0.00 0.00 0.00 19.45 19.60 1j5c n ALA 50 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1j5c h ASP 51 N -0.45 0.63 0.18 0.00 3.32 -1.98 0.88 116.42 119.01 1j5c h ASP 51 Ca -0.44 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.61 1j5c h ASP 51 Cb 1.71 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 41.13 1j5c h ASP 51 CO -0.09 0.44 -0.09 0.74 -1.72 0.00 0.00 179.24 178.51 1j5c h THR 52 N 0.76 0.93 -0.14 0.35 2.02 -1.97 -2.56 112.91 112.31 1j5c h THR 52 Ca 0.26 -0.77 0.04 0.00 0.77 0.00 0.00 66.41 66.72 1j5c h THR 52 Cb 0.04 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 1j5c h THR 52 CO -0.11 0.17 0.10 0.00 0.37 0.00 0.00 175.52 176.05 1j5c h ALA 53 N 0.07 2.10 0.47 6.16 0.00 -1.31 -1.13 119.26 125.63 1j5c h ALA 53 Ca -0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1j5c h ALA 53 Cb 0.47 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1j5c h ALA 53 CO 0.04 -0.17 -0.22 0.00 0.00 0.00 0.00 179.25 178.89 1j5c h ALA 54 N 1.93 -0.63 -0.08 0.00 0.00 0.10 1.46 119.26 122.04 1j5c h ALA 54 Ca 0.07 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1j5c h ALA 54 Cb 0.27 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1j5c h ALA 54 CO -0.00 -0.83 -0.07 -0.22 0.00 0.00 0.00 179.25 178.13 1j5c h LYS 55 N -0.68 -0.08 0.00 0.00 3.64 -0.92 0.16 116.57 118.70 1j5c h LYS 55 Ca -0.06 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1j5c h LYS 55 Cb 0.51 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1j5c h LYS 55 CO 0.11 -0.05 0.00 1.28 -2.27 0.00 0.00 179.45 178.51 1j5c n LEU 56 N -5.19 0.60 -4.49 5.20 4.77 -0.51 -4.41 117.00 112.96 1j5c n LEU 56 Ca -0.05 0.66 -0.43 0.00 -0.03 0.00 0.00 56.01 56.17 1j5c n LEU 56 Cb 0.12 -0.61 -0.04 0.00 -2.33 0.00 0.00 43.42 40.56 1j5c n LEU 56 CO 0.27 -0.59 0.70 -0.55 -1.33 0.00 0.00 177.39 175.89 1j5c s SER 57 N -4.11 6.27 -0.60 -1.43 0.15 0.50 -4.57 113.70 109.90 1j5c s SER 57 Ca 0.03 -0.63 -0.27 0.00 0.70 0.00 0.00 55.95 55.78 1j5c s SER 57 Cb 0.09 -2.41 0.01 0.00 -1.71 0.00 0.00 66.02 61.99 1j5c s SER 57 CO 0.35 -1.25 1.50 -1.00 1.20 0.00 0.00 173.24 174.03 1j5c s HIS 58 N 3.81 2.13 -0.39 3.44 3.76 -0.55 -4.83 115.29 122.68 1j5c s HIS 58 Ca 0.26 0.43 0.00 0.00 -0.15 0.00 0.00 55.06 55.60 1j5c s HIS 58 Cb -0.15 -4.37 0.37 0.00 1.11 0.00 0.00 32.58 29.54 1j5c s HIS 58 CO 0.15 -2.10 1.85 1.63 -0.85 0.00 0.00 174.74 175.42 1j5c n LYS 59 N 8.92 2.01 -1.33 1.40 4.76 -1.26 -3.75 118.16 128.91 1j5c n LYS 59 Ca 0.12 -2.14 0.00 0.00 -2.87 0.00 0.00 58.31 53.43 1j5c n LYS 59 Cb 0.50 -1.84 0.00 0.00 -1.84 0.00 0.00 35.03 31.85 1j5c n LYS 59 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1j5c n GLY 60 N -0.34 4.54 3.19 0.72 0.00 -1.26 -5.12 105.19 106.92 1j5c n GLY 60 Ca 0.42 -2.15 -0.10 0.00 0.00 0.00 0.00 46.02 44.18 1j5c n GLY 60 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1j5c s LEU 61 N 0.00 -0.49 -0.12 0.99 2.34 -1.26 -4.43 118.68 115.70 1j5c s LEU 61 Ca 0.00 0.86 -0.24 0.00 0.06 0.00 0.00 54.13 54.81 1j5c s LEU 61 Cb 0.00 1.15 -0.03 0.00 -0.56 0.00 0.00 46.19 46.75 1j5c s LEU 61 CO 0.00 -0.23 0.76 0.00 -1.06 0.00 0.00 176.35 175.81 1j5c s ALA 62 N 2.47 3.43 -0.00 1.48 0.00 -0.13 -4.84 121.76 124.17 1j5c s ALA 62 Ca -0.01 0.05 -0.02 0.00 0.00 0.00 0.00 51.96 51.98 1j5c s ALA 62 Cb -0.12 -3.09 -0.01 0.00 0.00 0.00 0.00 23.12 19.91 1j5c s ALA 62 CO -0.11 -0.40 -0.04 1.19 0.00 0.00 0.00 175.76 176.40 1j5c n PHE 63 N 4.56 0.00 -2.49 0.00 3.72 -1.26 -2.42 117.46 119.57 1j5c n PHE 63 Ca 0.01 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.00 1j5c n PHE 63 Cb 0.50 -0.06 -0.04 0.00 -0.94 0.00 0.00 39.48 38.94 1j5c n PHE 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1j5c s ALA 64 N -2.39 3.38 -0.93 4.37 0.00 -1.26 -4.85 121.76 120.08 1j5c s ALA 64 Ca -0.04 0.83 -0.24 0.00 0.00 0.00 0.00 51.96 52.51 1j5c s ALA 64 Cb 0.01 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 1j5c s ALA 64 CO 0.05 -0.23 1.73 0.00 0.00 0.00 0.00 175.76 177.31 1j5c s ALA 65 N -0.22 2.13 0.00 0.00 0.00 -1.26 -2.99 121.76 119.41 1j5c s ALA 65 Ca 0.50 -1.76 0.00 0.00 0.00 0.00 0.00 51.96 50.70 1j5c s ALA 65 Cb -0.30 -4.53 0.00 0.00 0.00 0.00 0.00 23.12 18.30 1j5c s ALA 65 CO 0.35 -4.26 0.00 0.41 0.00 0.00 0.00 175.76 172.26 1j5c n GLY 66 N 6.77 0.41 3.51 0.00 0.00 -1.26 -5.04 105.19 109.58 1j5c n GLY 66 Ca 0.35 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 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 3.19 0.17 1.61 2.02 -1.16 -4.94 118.70 119.60 1j5c s GLU 67 Ca 0.00 -0.43 0.05 0.00 0.02 0.00 0.00 54.97 54.61 1j5c s GLU 67 Cb 0.00 -4.18 -0.04 0.00 0.10 0.00 0.00 34.13 30.02 1j5c s GLU 67 CO 0.00 -1.95 0.14 -1.54 0.02 0.00 0.00 175.26 171.94 1j5c s SER 68 N 3.60 5.53 0.46 -0.19 1.04 -1.26 -4.48 113.70 118.39 1j5c s SER 68 Ca 0.30 -0.14 0.07 0.00 0.48 0.00 0.00 55.95 56.67 1j5c s SER 68 Cb -0.12 -1.44 -0.00 0.00 0.10 0.00 0.00 66.02 64.56 1j5c s SER 68 CO 0.14 0.06 0.37 -0.36 0.98 0.00 0.00 173.24 174.43 1j5c s PHE 69 N -1.78 2.30 -0.00 5.02 0.08 -1.05 -4.95 117.98 117.59 1j5c s PHE 69 Ca 0.31 -0.63 -0.07 0.00 0.12 0.00 0.00 56.93 56.66 1j5c s PHE 69 Cb -0.10 -2.06 0.00 0.00 -0.57 0.00 0.00 43.02 40.30 1j5c s PHE 69 CO 0.24 -0.22 0.14 0.99 -0.10 0.00 0.00 175.22 176.26 1j5c s THR 70 N -2.60 0.08 -0.09 0.64 2.01 -1.26 -1.98 115.64 112.44 1j5c s THR 70 Ca 0.43 -0.63 -0.04 0.00 0.31 0.00 0.00 61.69 61.76 1j5c s THR 70 Cb -0.02 -0.42 0.05 0.00 0.01 0.00 0.00 72.50 72.12 1j5c s THR 70 CO 0.25 -0.35 0.20 -0.94 -0.69 0.00 0.00 174.62 173.09 1j5c s SER 71 N -1.27 0.04 -0.07 3.53 1.04 -0.69 -4.93 113.70 111.34 1j5c s SER 71 Ca -0.14 0.42 -0.04 0.00 0.48 0.00 0.00 55.95 56.68 1j5c s SER 71 Cb -0.07 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 1j5c s SER 71 CO 0.01 -0.18 0.10 -0.89 0.98 0.00 0.00 173.24 173.26 1j5c s THR 72 N 1.56 5.02 -0.35 2.02 2.01 -1.26 0.45 115.64 125.09 1j5c s THR 72 Ca -0.06 -0.09 0.04 0.00 0.31 0.00 0.00 61.69 61.89 1j5c s THR 72 Cb -0.11 -3.21 0.10 0.00 0.01 0.00 0.00 72.50 69.28 1j5c s THR 72 CO -0.07 0.52 0.06 -0.36 -0.69 0.00 0.00 174.62 174.08 1j5c s PHE 73 N -1.07 3.72 -1.92 4.92 0.08 -0.08 -4.88 117.98 118.75 1j5c s PHE 73 Ca 0.18 -3.01 0.26 0.00 0.12 0.00 0.00 56.93 54.47 1j5c s PHE 73 Cb -0.12 -2.92 1.50 0.00 -0.57 0.00 0.00 43.02 40.91 1j5c s PHE 73 CO 0.08 -0.94 1.89 2.41 -0.10 0.00 0.00 175.22 178.55 1j5c n THR 74 N 4.18 0.03 -4.10 0.64 -1.04 -1.26 -0.55 114.28 112.18 1j5c n THR 74 Ca 0.04 0.01 -0.18 0.00 -2.04 0.00 0.00 64.05 61.88 1j5c n THR 74 Cb 0.41 -0.60 -0.16 0.00 -1.82 0.00 0.00 70.33 68.16 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 -2.08 0.54 0.51 -2.82 2.12 -1.26 -4.65 118.70 111.07 1j5c s GLU 75 Ca 0.37 -0.08 -0.19 0.00 0.36 0.00 0.00 54.97 55.42 1j5c s GLU 75 Cb 0.18 -0.59 -0.08 0.00 0.26 0.00 0.00 34.13 33.90 1j5c s GLU 75 CO 0.31 -0.03 1.04 -1.25 -0.54 0.00 0.00 175.26 174.79 1j5c s PRO 76 N 0.60 3.72 0.00 4.30 0.04 -1.26 -4.91 135.00 137.49 1j5c s PRO 76 Ca -0.07 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.29 1j5c s PRO 76 Cb -0.10 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1j5c s PRO 76 CO -0.00 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 176.95 1j5c n GLY 77 N -0.43 -0.58 2.71 0.56 0.00 0.63 -4.96 105.19 103.12 1j5c n GLY 77 Ca 0.09 -0.61 -0.20 0.00 0.00 0.00 0.00 46.02 45.30 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 -4.00 -0.31 0.39 2.61 2.01 -1.26 0.52 115.64 115.60 1j5c s THR 78 Ca 0.00 -0.46 0.01 0.00 0.31 0.00 0.00 61.69 61.54 1j5c s THR 78 Cb 0.00 -0.92 -0.02 0.00 0.01 0.00 0.00 72.50 71.58 1j5c s THR 78 CO 0.00 -0.47 0.60 -0.31 -0.69 0.00 0.00 174.62 173.76 1j5c s TYR 79 N 2.30 3.36 0.01 4.92 1.51 -0.98 -4.94 117.35 123.54 1j5c s TYR 79 Ca 0.09 0.28 0.01 0.00 -1.01 0.00 0.00 57.07 56.43 1j5c s TYR 79 Cb -0.15 -2.09 -0.01 0.00 -0.11 0.00 0.00 41.96 39.60 1j5c s TYR 79 CO -0.29 -0.10 -0.03 0.99 -1.11 0.00 0.00 175.55 175.01 1j5c s THR 80 N -2.42 0.18 0.04 -0.71 2.01 -1.26 -1.58 115.64 111.89 1j5c s THR 80 Ca 0.44 -0.44 0.01 0.00 0.31 0.00 0.00 61.69 62.01 1j5c s THR 80 Cb -0.10 -0.22 -0.03 0.00 0.01 0.00 0.00 72.50 72.17 1j5c s THR 80 CO 0.37 -0.17 -0.05 -0.72 -0.69 0.00 0.00 174.62 173.36 1j5c s TYR 81 N -0.62 0.47 0.15 4.92 -0.85 -1.25 -2.25 117.35 117.93 1j5c s TYR 81 Ca -0.05 -0.63 -0.06 0.00 -0.52 0.00 0.00 57.07 55.80 1j5c s TYR 81 Cb -0.05 -0.31 -0.02 0.00 0.38 0.00 0.00 41.96 41.96 1j5c s TYR 81 CO -0.00 -0.18 0.20 1.52 -1.52 0.00 0.00 175.55 175.56 1j5c s TYR 82 N -1.99 0.56 0.44 -3.49 1.13 -0.85 -4.67 117.35 108.48 1j5c s TYR 82 Ca -0.08 -0.93 0.06 0.00 -1.41 0.00 0.00 57.07 54.71 1j5c s TYR 82 Cb -0.06 -0.21 0.06 0.00 -1.10 0.00 0.00 41.96 40.65 1j5c s TYR 82 CO -0.02 -0.64 0.49 0.00 -2.51 0.00 0.00 175.55 172.87 1j5c n GLU 84 N -1.78 0.00 -0.79 0.00 1.02 -1.20 -4.37 120.64 113.53 1j5c n GLU 84 Ca 0.06 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.08 1j5c n GLU 84 Cb 0.48 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.79 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 -3.07 1.72 -2.70 3.49 -0.04 -1.26 -3.56 135.00 129.58 1j5c n PRO 85 Ca 0.00 -0.92 -0.05 0.00 -0.04 0.00 0.00 63.50 62.48 1j5c n PRO 85 Cb 0.00 -2.00 0.11 0.00 -0.04 0.00 0.00 33.50 31.57 1j5c n PRO 85 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1j5c n HIS 86 N 2.85 -1.70 -4.19 0.54 1.44 -1.26 -4.67 115.22 108.23 1j5c n HIS 86 Ca 0.37 -1.98 -0.35 0.00 -2.01 0.00 0.00 57.72 53.75 1j5c n HIS 86 Cb 0.60 1.25 -0.05 0.00 0.12 0.00 0.00 29.99 31.91 1j5c n HIS 86 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 1j5c n ARG 87 N -0.82 -1.06 -3.57 -1.40 0.00 -1.23 -4.80 116.66 103.78 1j5c n ARG 87 Ca -0.05 0.14 0.00 0.00 -0.00 0.00 0.00 57.85 57.93 1j5c n ARG 87 Cb 0.85 -3.43 0.00 0.00 0.00 0.00 0.00 32.46 29.88 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 -2.35 -1.46 0.93 5.14 0.00 -1.24 -5.07 105.19 101.13 1j5c n GLY 88 Ca -0.26 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 0.00 -1.36 4.61 0.00 -1.26 -3.22 120.51 119.28 1j5c n ALA 89 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 53.44 52.91 1j5c n ALA 89 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 -1.48 -0.17 2.66 0.00 0.00 -1.26 -3.05 105.19 101.90 1j5c n GLY 90 Ca 0.00 0.71 -0.03 0.00 0.00 0.00 0.00 46.02 46.70 1j5c n GLY 90 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1j5c n MET 91 N 1.74 0.16 -0.46 1.61 1.56 -1.26 -4.40 117.12 116.08 1j5c n MET 91 Ca 0.19 -0.71 0.41 0.00 -0.27 0.00 0.00 57.70 57.32 1j5c n MET 91 Cb 0.05 -0.12 0.71 0.00 2.15 0.00 0.00 33.22 36.01 1j5c n MET 91 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 1j5c h VAL 92 N 0.42 0.12 -0.79 1.12 2.07 -1.88 -3.42 116.25 113.88 1j5c h VAL 92 Ca -0.39 0.00 -0.67 0.00 0.82 0.00 0.00 66.70 66.46 1j5c h VAL 92 Cb 1.22 0.14 0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1j5c h VAL 92 CO -0.06 0.00 0.35 0.61 0.02 0.00 0.00 177.57 178.49 1j5c n GLY 93 N -1.81 0.00 3.35 2.17 0.00 -1.26 -4.88 105.19 102.76 1j5c n GLY 93 Ca 0.33 0.72 -0.18 0.00 0.00 0.00 0.00 46.02 46.89 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 1.44 1.81 0.22 1.61 -2.85 0.14 -3.91 119.74 118.19 1j5c s LYS 94 Ca 0.79 -1.94 0.09 0.00 -1.00 0.00 0.00 55.97 53.90 1j5c s LYS 94 Cb -1.11 0.36 -0.05 0.00 -2.06 0.00 0.00 37.83 34.97 1j5c s LYS 94 CO 0.57 -0.69 -0.16 0.08 0.10 0.00 0.00 175.35 175.24 1j5c s VAL 95 N -3.31 1.95 -0.29 1.79 1.01 -0.61 -3.02 120.40 117.91 1j5c s VAL 95 Ca 0.38 -2.22 -0.02 0.00 0.00 0.00 0.00 61.98 60.11 1j5c s VAL 95 Cb 0.02 -2.08 0.12 0.00 0.00 0.00 0.00 36.38 34.43 1j5c s VAL 95 CO 0.25 -0.50 0.22 -0.69 0.00 0.00 0.00 175.10 174.38 1j5c s VAL 96 N -2.72 -0.26 -0.03 2.92 1.01 -0.50 -2.31 120.40 118.51 1j5c s VAL 96 Ca 0.24 -0.59 -0.24 0.00 0.00 0.00 0.00 61.98 61.39 1j5c s VAL 96 Cb -0.03 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 1j5c s VAL 96 CO 0.09 -0.57 0.72 -0.69 0.00 0.00 0.00 175.10 174.65 1j5c s VAL 97 N 2.25 4.96 -1.72 2.92 1.01 0.19 -0.62 120.40 129.38 1j5c s VAL 97 Ca 0.09 1.50 0.14 0.00 0.00 0.00 0.00 61.98 63.71 1j5c s VAL 97 Cb -0.15 -4.06 0.11 0.00 0.00 0.00 0.00 36.38 32.28 1j5c s VAL 97 CO -0.34 0.29 0.94 -0.67 0.00 0.00 0.00 175.10 175.31