#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 0.47 -0.04 0.00 2.20 -1.26 -4.66 114.94 111.65 1j5c s ASN 2 Ca 0.00 -1.40 -0.03 0.00 -0.94 0.00 0.00 52.86 50.49 1j5c s ASN 2 Cb 0.00 0.47 0.01 0.00 -2.00 0.00 0.00 41.25 39.74 1j5c s ASN 2 CO 0.00 -0.97 0.10 0.00 -2.94 0.00 0.00 177.10 173.29 1j5c s ALA 3 N -3.90 -0.24 0.03 3.54 0.00 -1.22 -4.93 121.76 115.04 1j5c s ALA 3 Ca 0.36 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.66 1j5c s ALA 3 Cb 0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 1j5c s ALA 3 CO 0.15 -0.06 -0.05 -0.08 0.00 0.00 0.00 175.76 175.72 1j5c s THR 4 N 0.20 0.36 -0.04 0.00 -1.32 -1.26 -1.16 115.64 112.42 1j5c s THR 4 Ca -0.01 -0.80 -0.02 0.00 -1.21 0.00 0.00 61.69 59.65 1j5c s THR 4 Cb -0.02 -0.43 0.03 0.00 -1.51 0.00 0.00 72.50 70.57 1j5c s THR 4 CO -0.01 -0.30 0.07 -0.69 -2.21 0.00 0.00 174.62 171.49 1j5c s VAL 5 N -1.08 -0.11 0.00 5.08 1.01 -0.27 -4.63 120.40 120.41 1j5c s VAL 5 Ca -0.09 0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.93 1j5c s VAL 5 Cb -0.08 -0.15 -0.03 0.00 0.00 0.00 0.00 36.38 36.12 1j5c s VAL 5 CO -0.00 0.14 1.02 -0.54 0.00 0.00 0.00 175.10 175.72 1j5c s LYS 6 N 1.77 4.53 -1.11 2.72 1.02 -1.10 -2.39 119.74 125.18 1j5c s LYS 6 Ca -0.01 1.48 -0.22 0.00 0.02 0.00 0.00 55.97 57.25 1j5c s LYS 6 Cb -0.12 -3.45 -0.09 0.00 -0.52 0.00 0.00 37.83 33.65 1j5c s LYS 6 CO -0.04 -0.11 1.92 -1.33 -0.92 0.00 0.00 175.35 174.88 1j5c n MET 7 N 3.99 1.74 0.00 1.68 2.81 0.21 -3.77 117.12 123.77 1j5c n MET 7 Ca 0.07 -2.40 0.00 0.00 -1.81 0.00 0.00 57.70 53.55 1j5c n MET 7 Cb 0.50 -3.52 0.00 0.00 -0.71 0.00 0.00 33.22 29.49 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 5.43 2.00 3.96 3.03 0.00 -1.26 -2.49 105.19 115.87 1j5c n GLY 8 Ca 0.46 -2.06 -0.21 0.00 0.00 0.00 0.00 46.02 44.21 1j5c n GLY 8 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1j5c s SER 9 N 0.00 6.20 0.05 1.61 0.15 -1.21 -4.76 113.70 115.74 1j5c s SER 9 Ca 0.00 0.01 -0.34 0.00 0.70 0.00 0.00 55.95 56.32 1j5c s SER 9 Cb 0.00 -1.74 -0.19 0.00 -1.71 0.00 0.00 66.02 62.38 1j5c s SER 9 CO 0.00 -0.11 1.46 -0.78 1.20 0.00 0.00 173.24 175.01 1j5c h ASP 10 N 1.17 -0.97 -0.97 5.45 1.82 -1.96 -2.95 116.42 118.01 1j5c h ASP 10 Ca -0.51 0.03 0.19 0.00 -0.39 0.00 0.00 57.03 56.34 1j5c h ASP 10 Cb 1.23 0.25 -0.18 0.00 0.68 0.00 0.00 39.33 41.31 1j5c h ASP 10 CO 0.60 -0.65 -0.27 -0.24 -1.61 0.00 0.00 179.24 177.08 1j5c n SER 11 N -5.55 -0.40 0.00 2.28 2.88 -1.26 -4.73 113.62 106.84 1j5c n SER 11 Ca -0.15 1.68 0.00 0.00 -1.33 0.00 0.00 58.87 59.07 1j5c n SER 11 Cb 0.46 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 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 -1.59 -0.17 3.84 0.46 0.00 -1.11 -5.17 105.19 101.45 1j5c n GLY 12 Ca 0.15 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 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 3.81 -0.12 4.61 0.00 -1.24 -4.93 121.76 123.89 1j5c s ALA 13 Ca 0.00 -1.66 -0.11 0.00 0.00 0.00 0.00 51.96 50.18 1j5c s ALA 13 Cb 0.00 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.95 1j5c s ALA 13 CO 0.00 0.01 -0.22 1.28 0.00 0.00 0.00 175.76 176.83 1j5c n LEU 14 N -1.35 1.33 -4.34 0.00 4.32 -1.26 -3.28 117.00 112.42 1j5c n LEU 14 Ca -0.02 0.28 -0.44 0.00 -0.02 0.00 0.00 56.01 55.82 1j5c n LEU 14 Cb 0.60 -0.68 -0.01 0.00 -1.62 0.00 0.00 43.42 41.71 1j5c n LEU 14 CO 0.42 -0.37 -0.28 1.33 -1.22 0.00 0.00 177.39 177.28 1j5c n VAL 15 N -3.87 1.10 -3.17 4.08 0.24 -1.26 -4.21 118.33 111.23 1j5c n VAL 15 Ca -0.09 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.34 61.38 1j5c n VAL 15 Cb 0.33 -0.04 -0.06 0.00 -1.47 0.00 0.00 33.84 32.60 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 -1.48 3.42 -0.02 6.34 0.08 -1.24 -4.31 117.98 120.78 1j5c s PHE 16 Ca 0.61 1.20 -0.03 0.00 0.12 0.00 0.00 56.93 58.83 1j5c s PHE 16 Cb -0.72 -2.51 0.00 0.00 -0.57 0.00 0.00 43.02 39.23 1j5c s PHE 16 CO 0.61 0.16 0.07 -1.21 -0.10 0.00 0.00 175.22 174.74 1j5c s GLU 17 N -2.79 0.19 0.15 0.44 0.41 -1.25 -2.70 118.70 113.15 1j5c s GLU 17 Ca 0.51 -0.08 -0.30 0.00 -0.41 0.00 0.00 54.97 54.69 1j5c s GLU 17 Cb -0.11 0.08 -0.07 0.00 -1.78 0.00 0.00 34.13 32.24 1j5c s GLU 17 CO 0.18 -0.03 1.13 -1.25 -0.49 0.00 0.00 175.26 174.80 1j5c s PRO 18 N -0.41 4.54 0.24 0.39 0.04 -1.26 -2.71 135.00 135.83 1j5c s PRO 18 Ca -0.05 1.74 -0.10 0.00 0.04 0.00 0.00 61.00 62.63 1j5c s PRO 18 Cb -0.03 -3.29 0.37 0.00 0.04 0.00 0.00 34.50 31.58 1j5c s PRO 18 CO 0.00 -0.02 1.43 0.43 0.04 0.00 0.00 177.00 178.88 1j5c n SER 19 N 2.77 -0.41 -4.44 6.66 7.64 -1.10 -4.18 113.62 120.57 1j5c n SER 19 Ca 0.04 1.59 -0.33 0.00 1.01 0.00 0.00 58.87 61.19 1j5c n SER 19 Cb 0.46 -0.45 -0.14 0.00 -1.01 0.00 0.00 64.21 63.08 1j5c n SER 19 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1j5c s THR 20 N -6.08 2.92 -0.01 0.44 2.01 -1.26 -0.94 115.64 112.72 1j5c s THR 20 Ca -0.13 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.11 1j5c s THR 20 Cb 0.23 -2.14 0.01 0.00 0.01 0.00 0.00 72.50 70.61 1j5c s THR 20 CO 0.70 0.58 -0.03 0.68 -0.69 0.00 0.00 174.62 175.86 1j5c s VAL 21 N -0.53 0.34 0.23 3.82 -7.23 -1.23 -5.04 120.40 110.76 1j5c s VAL 21 Ca 0.07 -0.12 -0.30 0.00 -1.81 0.00 0.00 61.98 59.82 1j5c s VAL 21 Cb -0.12 -0.33 -0.09 0.00 0.56 0.00 0.00 36.38 36.41 1j5c s VAL 21 CO 0.01 0.13 1.01 0.42 -0.31 0.00 0.00 175.10 176.36 1j5c s THR 22 N 0.29 3.91 0.08 5.32 -4.23 -1.26 -2.73 115.64 117.02 1j5c s THR 22 Ca -0.03 1.84 -0.02 0.00 -1.18 0.00 0.00 61.69 62.30 1j5c s THR 22 Cb -0.06 -4.17 -0.03 0.00 1.34 0.00 0.00 72.50 69.57 1j5c s THR 22 CO -0.00 0.40 0.03 -0.51 -0.54 0.00 0.00 174.62 174.00 1j5c s ILE 23 N -0.90 0.17 0.11 2.99 -1.16 0.81 -4.53 121.20 118.70 1j5c s ILE 23 Ca 0.44 -1.75 0.04 0.00 -0.51 0.00 0.00 60.65 58.88 1j5c s ILE 23 Cb -0.28 -1.67 -0.04 0.00 0.61 0.00 0.00 42.46 41.09 1j5c s ILE 23 CO 0.35 -0.77 0.06 -0.54 -2.81 0.00 0.00 174.94 171.22 1j5c s LYS 24 N -3.95 2.74 -0.81 3.50 -0.14 -1.26 0.11 119.74 119.93 1j5c s LYS 24 Ca 0.12 -0.81 -0.25 0.00 -1.36 0.00 0.00 55.97 53.67 1j5c s LYS 24 Cb 0.07 -2.62 -0.03 0.00 -1.68 0.00 0.00 37.83 33.57 1j5c s LYS 24 CO -0.06 0.53 1.89 0.00 -0.76 0.00 0.00 175.35 176.95 1j5c s ALA 25 N -1.47 1.88 0.00 5.17 0.00 -1.24 -1.29 121.76 124.81 1j5c s ALA 25 Ca 0.28 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1j5c s ALA 25 Cb -0.11 -4.47 0.00 0.00 0.00 0.00 0.00 23.12 18.54 1j5c s ALA 25 CO 0.21 -4.45 0.00 0.41 0.00 0.00 0.00 175.76 171.93 1j5c n GLY 26 N 6.45 1.49 3.76 0.00 0.00 0.32 -4.89 105.19 112.32 1j5c n GLY 26 Ca 0.33 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.04 0.30 1.61 0.41 -0.41 -4.76 118.70 115.81 1j5c s GLU 27 Ca 0.00 -0.12 0.09 0.00 -0.41 0.00 0.00 54.97 54.52 1j5c s GLU 27 Cb 0.00 -1.74 -0.06 0.00 -1.78 0.00 0.00 34.13 30.55 1j5c s GLU 27 CO 0.00 -2.91 -0.10 -1.21 -0.49 0.00 0.00 175.26 170.55 1j5c s GLU 28 N -5.56 1.65 0.22 1.61 2.02 -1.26 -2.50 118.70 114.88 1j5c s GLU 28 Ca 0.71 -1.82 0.08 0.00 0.02 0.00 0.00 54.97 53.96 1j5c s GLU 28 Cb -0.08 -1.44 -0.05 0.00 0.10 0.00 0.00 34.13 32.65 1j5c s GLU 28 CO 0.54 0.13 -0.14 0.08 0.02 0.00 0.00 175.26 175.89 1j5c s VAL 29 N -2.79 1.81 -0.06 2.63 1.01 0.24 -3.38 120.40 119.87 1j5c s VAL 29 Ca 0.30 -2.23 -0.00 0.00 0.00 0.00 0.00 61.98 60.05 1j5c s VAL 29 Cb 0.02 -2.11 0.03 0.00 0.00 0.00 0.00 36.38 34.31 1j5c s VAL 29 CO 0.14 -0.55 -0.01 -0.75 0.00 0.00 0.00 175.10 173.93 1j5c s LYS 30 N -3.64 0.61 -0.46 2.72 2.20 -0.31 -1.98 119.74 118.88 1j5c s LYS 30 Ca 0.24 0.05 -0.06 0.00 -0.36 0.00 0.00 55.97 55.83 1j5c s LYS 30 Cb -0.01 -0.84 0.12 0.00 -1.51 0.00 0.00 37.83 35.59 1j5c s LYS 30 CO 0.08 -0.21 0.30 -1.58 -0.36 0.00 0.00 175.35 173.58 1j5c s TRP 31 N 1.51 3.50 0.20 4.03 0.51 -1.08 -1.11 118.94 126.50 1j5c s TRP 31 Ca -0.02 -2.14 -0.30 0.00 -2.12 0.00 0.00 56.10 51.52 1j5c s TRP 31 Cb -0.13 -3.38 -0.08 0.00 -0.81 0.00 0.00 33.47 29.07 1j5c s TRP 31 CO -0.03 -0.98 0.93 0.08 -0.51 0.00 0.00 176.95 176.44 1j5c s VAL 32 N 1.20 4.19 -0.22 4.03 1.01 -1.01 -3.22 120.40 126.38 1j5c s VAL 32 Ca 0.07 2.06 -0.29 0.00 0.00 0.00 0.00 61.98 63.82 1j5c s VAL 32 Cb -0.24 -4.32 0.01 0.00 0.00 0.00 0.00 36.38 31.83 1j5c s VAL 32 CO -0.02 0.46 1.05 0.21 0.00 0.00 0.00 175.10 176.79 1j5c s ASN 33 N -0.89 7.10 -0.20 3.32 3.84 -1.26 0.63 114.94 127.48 1j5c s ASN 33 Ca 0.42 1.40 -0.17 0.00 0.21 0.00 0.00 52.86 54.73 1j5c s ASN 33 Cb -0.25 -2.54 -0.07 0.00 -0.55 0.00 0.00 41.25 37.83 1j5c s ASN 33 CO 0.31 -0.66 -0.33 -3.20 -2.79 0.00 0.00 177.10 170.43 1j5c n ASN 34 N 6.25 1.93 -0.47 -4.21 4.05 -1.18 -4.37 115.26 117.26 1j5c n ASN 34 Ca 0.12 0.36 0.00 0.00 0.45 0.00 0.00 54.58 55.51 1j5c n ASN 34 Cb 0.46 -0.77 0.00 0.00 1.23 0.00 0.00 39.78 40.70 1j5c n ASN 34 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 1j5c n LYS 35 N -4.42 0.00 -2.62 1.20 4.81 -1.04 -4.85 118.16 111.24 1j5c n LYS 35 Ca -0.23 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.20 1j5c n LYS 35 Cb 0.59 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.64 1j5c n LYS 35 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1j5c n LEU 36 N 0.00 -5.50 -4.44 3.14 7.99 -1.26 -4.64 117.00 112.30 1j5c n LEU 36 Ca 0.00 -0.04 -0.22 0.00 -0.01 0.00 0.00 56.01 55.74 1j5c n LEU 36 Cb 0.00 -2.68 -0.10 0.00 -0.11 0.00 0.00 43.42 40.53 1j5c n LEU 36 CO 0.00 -0.84 -0.41 -0.94 -1.51 0.00 0.00 177.39 173.69 1j5c s SER 37 N -2.71 3.04 0.89 -1.43 1.04 -1.26 -4.33 113.70 108.94 1j5c s SER 37 Ca 0.01 -1.12 -0.12 0.00 0.48 0.00 0.00 55.95 55.20 1j5c s SER 37 Cb -0.00 -0.22 0.12 0.00 0.10 0.00 0.00 66.02 66.02 1j5c s SER 37 CO 0.54 -0.20 1.13 -2.16 0.98 0.00 0.00 173.24 173.53 1j5c s PRO 38 N -3.64 1.35 -0.14 4.02 0.04 -1.26 -5.00 135.00 130.36 1j5c s PRO 38 Ca 0.28 0.36 -0.34 0.00 0.04 0.00 0.00 61.00 61.34 1j5c s PRO 38 Cb 0.01 -1.86 0.15 0.00 0.04 0.00 0.00 34.50 32.84 1j5c s PRO 38 CO 0.12 -2.07 1.38 -3.38 0.04 0.00 0.00 177.00 173.10 1j5c s HIS 39 N -3.26 -0.02 0.32 0.56 -3.43 -1.24 -4.12 115.29 104.10 1j5c s HIS 39 Ca 0.63 -0.00 -0.09 0.00 -0.80 0.00 0.00 55.06 54.80 1j5c s HIS 39 Cb -0.15 0.51 0.01 0.00 -1.43 0.00 0.00 32.58 31.52 1j5c s HIS 39 CO 0.53 -0.07 0.55 0.54 -2.00 0.00 0.00 174.74 174.29 1j5c s ASN 40 N -2.66 0.36 -0.42 7.38 2.20 -1.26 -2.56 114.94 117.98 1j5c s ASN 40 Ca 0.14 -1.21 0.03 0.00 -0.94 0.00 0.00 52.86 50.88 1j5c s ASN 40 Cb 0.04 0.68 0.11 0.00 -2.00 0.00 0.00 41.25 40.08 1j5c s ASN 40 CO -0.05 -1.33 0.15 -0.63 -2.94 0.00 0.00 177.10 172.31 1j5c s ILE 41 N -3.25 2.57 -0.12 0.54 1.09 -1.25 -4.46 121.20 116.32 1j5c s ILE 41 Ca 0.24 -2.64 -0.16 0.00 -1.10 0.00 0.00 60.65 56.99 1j5c s ILE 41 Cb -0.02 -2.83 -0.05 0.00 -1.06 0.00 0.00 42.46 38.51 1j5c s ILE 41 CO 0.14 -0.69 0.40 -0.69 -0.10 0.00 0.00 174.94 174.01 1j5c s VAL 42 N 0.52 5.21 -0.10 2.92 1.01 -1.25 -0.09 120.40 128.62 1j5c s VAL 42 Ca 0.13 0.79 -0.02 0.00 0.00 0.00 0.00 61.98 62.89 1j5c s VAL 42 Cb -0.22 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 1j5c s VAL 42 CO -0.05 0.38 -0.03 -0.36 0.00 0.00 0.00 175.10 175.04 1j5c s PHE 43 N 0.36 3.06 0.17 5.22 0.40 -1.26 -0.72 117.98 125.21 1j5c s PHE 43 Ca 0.22 0.02 -0.01 0.00 -0.60 0.00 0.00 56.93 56.56 1j5c s PHE 43 Cb -0.15 -1.81 -0.04 0.00 0.51 0.00 0.00 43.02 41.53 1j5c s PHE 43 CO 0.08 0.30 0.36 0.00 0.70 0.00 0.00 175.22 176.67 1j5c s ALA 44 N -0.54 3.85 -0.88 5.36 0.00 -0.47 -4.63 121.76 124.44 1j5c s ALA 44 Ca 0.09 -0.78 -0.01 0.00 0.00 0.00 0.00 51.96 51.26 1j5c s ALA 44 Cb -0.12 -1.99 0.22 0.00 0.00 0.00 0.00 23.12 21.23 1j5c s ALA 44 CO 0.02 0.54 0.79 0.00 0.00 0.00 0.00 175.76 177.11 1j5c n ALA 45 N -0.39 3.85 -0.31 0.00 0.00 -1.26 -4.49 120.51 117.91 1j5c n ALA 45 Ca -0.04 -4.61 0.00 0.00 0.00 0.00 0.00 53.44 48.78 1j5c n ALA 45 Cb 0.53 -1.64 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1j5c n ALA 45 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1j5c n ASP 46 N 2.15 0.00 -1.01 0.00 2.03 -1.26 -4.57 116.55 113.88 1j5c n ASP 46 Ca 0.22 0.07 0.05 0.00 0.52 0.00 0.00 54.79 55.65 1j5c n ASP 46 Cb 0.37 -0.34 0.20 0.00 -0.72 0.00 0.00 41.12 40.62 1j5c n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j5c n GLY 47 N 1.88 1.63 3.30 0.27 0.00 -1.26 -4.87 105.19 106.14 1j5c n GLY 47 Ca 0.00 -0.47 -0.16 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.72 0.81 0.80 1.61 1.01 -1.26 -4.90 120.40 116.74 1j5c s VAL 48 Ca 0.28 -2.01 -0.12 0.00 0.00 0.00 0.00 61.98 60.13 1j5c s VAL 48 Cb 0.18 -2.37 0.08 0.00 0.00 0.00 0.00 36.38 34.27 1j5c s VAL 48 CO 0.13 -0.27 1.15 -1.81 0.00 0.00 0.00 175.10 174.30 1j5c s ASP 49 N -3.27 3.92 -0.00 3.32 1.11 -1.26 -4.76 116.67 115.72 1j5c s ASP 49 Ca 0.30 2.13 -0.00 0.00 0.18 0.00 0.00 52.55 55.15 1j5c s ASP 49 Cb 0.06 -2.56 -0.00 0.00 1.07 0.00 0.00 42.92 41.49 1j5c s ASP 49 CO 0.09 -2.44 0.47 0.00 1.18 0.00 0.00 175.17 174.47 1j5c h ALA 50 N -1.03 -0.47 -0.95 5.23 0.00 -1.97 -1.92 119.26 118.14 1j5c h ALA 50 Ca -0.45 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 54.64 1j5c h ALA 50 Cb 1.26 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.88 1j5c h ALA 50 CO 0.48 -0.47 -0.28 -0.44 0.00 0.00 0.00 179.25 178.53 1j5c h ASP 51 N -0.01 -1.04 0.01 0.00 5.19 -1.99 0.22 116.42 118.80 1j5c h ASP 51 Ca -0.00 0.29 0.00 0.00 -0.62 0.00 0.00 57.03 56.70 1j5c h ASP 51 Cb 0.00 0.63 -0.01 0.00 0.18 0.00 0.00 39.33 40.13 1j5c h ASP 51 CO 0.00 -0.31 -0.13 0.74 -3.12 0.00 0.00 179.24 176.43 1j5c h THR 52 N -0.01 0.00 -0.93 0.35 2.02 -1.96 -1.26 112.91 111.12 1j5c h THR 52 Ca 0.42 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.87 1j5c h THR 52 Cb 0.67 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.92 1j5c h THR 52 CO -0.97 0.00 0.24 0.00 0.37 0.00 0.00 175.52 175.15 1j5c h ALA 53 N -1.27 1.40 -0.24 6.16 0.00 -0.25 -0.28 119.26 124.77 1j5c h ALA 53 Ca 0.00 0.26 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1j5c h ALA 53 Cb 0.17 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1j5c h ALA 53 CO -0.08 -0.56 -0.15 0.00 0.00 0.00 0.00 179.25 178.46 1j5c h ALA 54 N 1.87 -0.15 -0.45 0.00 0.00 0.56 1.64 119.26 122.72 1j5c h ALA 54 Ca 0.61 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.63 1j5c h ALA 54 Cb 1.32 1.08 -0.10 0.00 0.00 0.00 0.00 17.79 20.09 1j5c h ALA 54 CO -0.74 -0.25 -0.37 0.87 0.00 0.00 0.00 179.25 178.76 1j5c h LYS 55 N -0.00 -0.25 -0.38 0.00 1.57 -0.75 1.44 116.57 118.20 1j5c h LYS 55 Ca 0.04 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 58.94 1j5c h LYS 55 Cb 0.10 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1j5c h LYS 55 CO -0.23 -0.16 0.40 -0.07 -0.57 0.00 0.00 179.45 178.81 1j5c h LEU 56 N -0.26 0.00 -9.19 2.94 4.07 -0.38 -3.39 115.31 109.10 1j5c h LEU 56 Ca 0.18 0.00 -0.57 0.00 0.08 0.00 0.00 57.88 57.57 1j5c h LEU 56 Cb 0.56 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.26 1j5c h LEU 56 CO -0.59 0.00 0.73 -0.94 -1.08 0.00 0.00 178.44 176.56 1j5c s SER 57 N -5.43 7.10 -0.59 -0.43 1.04 0.54 -4.52 113.70 111.40 1j5c s SER 57 Ca -0.04 1.57 -0.19 0.00 0.48 0.00 0.00 55.95 57.77 1j5c s SER 57 Cb 0.16 -2.55 0.09 0.00 0.10 0.00 0.00 66.02 63.82 1j5c s SER 57 CO 0.56 -0.60 0.73 -1.00 0.98 0.00 0.00 173.24 173.90 1j5c s HIS 58 N 2.70 2.96 -0.51 5.02 3.76 0.87 -4.85 115.29 125.23 1j5c s HIS 58 Ca 0.50 -0.87 0.00 0.00 -0.15 0.00 0.00 55.06 54.54 1j5c s HIS 58 Cb -0.19 -4.00 0.46 0.00 1.11 0.00 0.00 32.58 29.96 1j5c s HIS 58 CO 0.14 -1.31 1.95 1.17 -0.85 0.00 0.00 174.74 175.84 1j5c n LYS 59 N 6.48 2.33 0.00 1.40 3.00 -1.26 -3.85 118.16 126.26 1j5c n LYS 59 Ca -0.08 -2.77 0.00 0.00 -0.00 0.00 0.00 58.31 55.46 1j5c n LYS 59 Cb 0.43 -2.08 0.00 0.00 0.00 0.00 0.00 35.03 33.38 1j5c n LYS 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1j5c n GLY 60 N -0.72 1.42 3.15 3.14 0.00 -1.26 -5.14 105.19 105.77 1j5c n GLY 60 Ca 0.54 -1.16 0.06 0.00 0.00 0.00 0.00 46.02 45.45 1j5c n GLY 60 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1j5c s LEU 61 N 0.00 -0.34 -0.17 0.99 1.98 -1.26 -4.89 118.68 114.99 1j5c s LEU 61 Ca 0.00 0.16 -0.14 0.00 -2.89 0.00 0.00 54.13 51.26 1j5c s LEU 61 Cb 0.00 1.26 -0.04 0.00 0.66 0.00 0.00 46.19 48.07 1j5c s LEU 61 CO 0.00 -0.06 0.32 0.00 -1.89 0.00 0.00 176.35 174.71 1j5c s ALA 62 N 2.97 3.58 0.07 5.97 0.00 -1.06 -4.93 121.76 128.35 1j5c s ALA 62 Ca 0.04 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.51 1j5c s ALA 62 Cb -0.08 -2.46 0.00 0.00 0.00 0.00 0.00 23.12 20.59 1j5c s ALA 62 CO -0.13 -0.03 0.00 1.19 0.00 0.00 0.00 175.76 176.79 1j5c n PHE 63 N 3.85 -0.23 -2.83 0.00 3.72 -1.26 -3.70 117.46 117.02 1j5c n PHE 63 Ca -0.11 0.04 -0.33 0.00 -0.05 0.00 0.00 57.45 57.01 1j5c n PHE 63 Cb 0.52 0.09 -0.06 0.00 -0.94 0.00 0.00 39.48 39.08 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 -2.00 3.13 -1.31 4.37 0.00 -1.26 -4.88 121.76 119.81 1j5c s ALA 64 Ca 0.00 0.24 -0.13 0.00 0.00 0.00 0.00 51.96 52.07 1j5c s ALA 64 Cb 0.00 -3.03 0.12 0.00 0.00 0.00 0.00 23.12 20.21 1j5c s ALA 64 CO 0.00 0.11 1.81 0.00 0.00 0.00 0.00 175.76 177.68 1j5c n ALA 65 N -0.78 4.65 0.00 0.00 0.00 -1.26 -3.70 120.51 119.42 1j5c n ALA 65 Ca 0.06 -4.11 0.00 0.00 0.00 0.00 0.00 53.44 49.39 1j5c n ALA 65 Cb 0.54 -3.25 0.00 0.00 0.00 0.00 0.00 19.45 16.74 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 3.94 0.06 3.59 0.00 0.00 -1.26 -4.94 105.19 106.57 1j5c n GLY 66 Ca 0.43 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.23 3.44 -0.10 1.61 2.02 -1.24 -4.86 118.70 118.34 1j5c s GLU 67 Ca 0.00 0.76 0.03 0.00 0.02 0.00 0.00 54.97 55.78 1j5c s GLU 67 Cb 0.00 -4.07 -0.01 0.00 0.10 0.00 0.00 34.13 30.15 1j5c s GLU 67 CO 0.00 -1.74 -0.20 -1.12 0.02 0.00 0.00 175.26 172.22 1j5c s SER 68 N 4.26 3.47 0.91 -0.19 0.01 -1.26 -4.30 113.70 116.60 1j5c s SER 68 Ca 0.59 -0.44 -0.12 0.00 1.31 0.00 0.00 55.95 57.28 1j5c s SER 68 Cb -0.13 -1.32 0.20 0.00 0.21 0.00 0.00 66.02 64.98 1j5c s SER 68 CO 0.30 0.19 1.25 -0.36 0.41 0.00 0.00 173.24 175.03 1j5c s PHE 69 N 0.16 1.36 0.01 2.43 0.08 -1.20 -4.86 117.98 115.97 1j5c s PHE 69 Ca -0.11 0.06 -0.07 0.00 0.12 0.00 0.00 56.93 56.94 1j5c s PHE 69 Cb -0.16 -3.85 -0.00 0.00 -0.57 0.00 0.00 43.02 38.44 1j5c s PHE 69 CO 0.06 -2.50 0.12 0.99 -0.10 0.00 0.00 175.22 173.79 1j5c s THR 70 N -3.71 0.10 0.18 0.64 2.01 -1.26 -2.63 115.64 110.97 1j5c s THR 70 Ca 0.73 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.93 1j5c s THR 70 Cb -0.03 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.87 1j5c s THR 70 CO 0.51 -0.45 0.05 -0.55 -0.69 0.00 0.00 174.62 173.49 1j5c s SER 71 N -1.61 0.83 -0.04 3.53 0.15 -0.84 -4.93 113.70 110.79 1j5c s SER 71 Ca -0.12 -1.24 -0.02 0.00 0.70 0.00 0.00 55.95 55.27 1j5c s SER 71 Cb -0.06 0.21 0.03 0.00 -1.71 0.00 0.00 66.02 64.49 1j5c s SER 71 CO -0.00 -0.67 0.05 -0.89 1.20 0.00 0.00 173.24 172.93 1j5c s THR 72 N -3.85 -0.10 -0.56 6.45 2.01 -1.26 -0.59 115.64 117.74 1j5c s THR 72 Ca 0.28 0.38 -0.15 0.00 0.31 0.00 0.00 61.69 62.51 1j5c s THR 72 Cb 0.07 -0.14 0.14 0.00 0.01 0.00 0.00 72.50 72.58 1j5c s THR 72 CO 0.06 0.16 0.51 -0.36 -0.69 0.00 0.00 174.62 174.30 1j5c s PHE 73 N 1.92 3.33 -0.12 4.92 0.40 -1.04 -4.91 117.98 122.48 1j5c s PHE 73 Ca 0.02 -1.45 -0.13 0.00 -0.60 0.00 0.00 56.93 54.77 1j5c s PHE 73 Cb -0.12 -3.76 -0.11 0.00 0.51 0.00 0.00 43.02 39.54 1j5c s PHE 73 CO -0.03 -1.01 0.31 1.15 0.70 0.00 0.00 175.22 176.34 1j5c h THR 74 N 5.79 0.75 -3.38 0.64 2.02 -1.88 0.92 112.91 117.77 1j5c h THR 74 Ca -0.24 -1.58 -0.53 0.00 0.77 0.00 0.00 66.41 64.83 1j5c h THR 74 Cb 1.09 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.92 1j5c h THR 74 CO 0.98 0.25 0.45 -0.70 0.37 0.00 0.00 175.52 176.88 1j5c s GLU 75 N -1.87 4.54 -1.07 6.66 -6.30 -1.26 -4.24 118.70 115.17 1j5c s GLU 75 Ca -0.09 1.60 -0.22 0.00 -2.50 0.00 0.00 54.97 53.76 1j5c s GLU 75 Cb -0.01 -3.38 -0.00 0.00 0.00 0.00 0.00 34.13 30.74 1j5c s GLU 75 CO 0.30 -0.07 1.75 -1.25 0.02 0.00 0.00 175.26 176.01 1j5c s PRO 76 N 0.66 3.14 0.00 4.30 0.04 -1.26 -4.80 135.00 137.08 1j5c s PRO 76 Ca 0.53 -1.03 0.00 0.00 0.04 0.00 0.00 61.00 60.54 1j5c s PRO 76 Cb -0.26 -5.28 0.00 0.00 0.04 0.00 0.00 34.50 29.00 1j5c s PRO 76 CO 0.30 -2.90 0.00 0.41 0.04 0.00 0.00 177.00 174.84 1j5c n GLY 77 N 6.41 5.57 2.65 0.56 0.00 -1.26 -4.94 105.19 114.18 1j5c n GLY 77 Ca 0.40 -1.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.15 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 1.59 -0.23 0.31 2.61 2.01 -1.26 -2.25 115.64 118.41 1j5c s THR 78 Ca 0.00 -0.53 -0.18 0.00 0.31 0.00 0.00 61.69 61.29 1j5c s THR 78 Cb 0.00 -0.91 -0.09 0.00 0.01 0.00 0.00 72.50 71.51 1j5c s THR 78 CO 0.00 -0.53 0.79 -0.31 -0.69 0.00 0.00 174.62 173.88 1j5c s TYR 79 N 2.23 3.46 0.09 4.92 1.51 -1.22 -4.87 117.35 123.47 1j5c s TYR 79 Ca 0.08 1.37 0.04 0.00 -1.01 0.00 0.00 57.07 57.56 1j5c s TYR 79 Cb -0.15 -2.64 -0.03 0.00 -0.11 0.00 0.00 41.96 39.02 1j5c s TYR 79 CO -0.30 0.13 -0.11 0.99 -1.11 0.00 0.00 175.55 175.15 1j5c s THR 80 N -1.86 0.99 0.08 -0.71 2.01 -1.26 -1.65 115.64 113.24 1j5c s THR 80 Ca 0.52 -1.53 -0.11 0.00 0.31 0.00 0.00 61.69 60.89 1j5c s THR 80 Cb -0.12 -1.26 0.01 0.00 0.01 0.00 0.00 72.50 71.14 1j5c s THR 80 CO 0.18 -0.45 0.23 -0.72 -0.69 0.00 0.00 174.62 173.17 1j5c s TYR 81 N -2.06 0.05 -0.15 4.92 -0.85 -1.25 -1.37 117.35 116.64 1j5c s TYR 81 Ca 0.03 -0.38 -0.12 0.00 -0.52 0.00 0.00 57.07 56.08 1j5c s TYR 81 Cb -0.05 0.01 0.04 0.00 0.38 0.00 0.00 41.96 42.34 1j5c s TYR 81 CO 0.01 -0.53 0.38 1.52 -1.52 0.00 0.00 175.55 175.40 1j5c s TYR 82 N -3.40 -0.46 -0.19 -3.49 1.13 0.10 -4.59 117.35 106.44 1j5c s TYR 82 Ca 0.01 1.08 -0.29 0.00 -1.41 0.00 0.00 57.07 56.46 1j5c s TYR 82 Cb 0.02 0.17 -0.02 0.00 -1.10 0.00 0.00 41.96 41.03 1j5c s TYR 82 CO -0.09 -0.24 1.51 0.00 -2.51 0.00 0.00 175.55 174.22 1j5c h GLU 84 N 9.82 -0.03 0.00 0.00 5.08 -1.95 -3.42 114.58 124.08 1j5c h GLU 84 Ca -0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1j5c h GLU 84 Cb 1.14 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1j5c h GLU 84 CO 0.99 0.71 0.00 -0.35 -1.00 0.00 0.00 179.01 179.36 1j5c n PRO 85 N -4.71 0.00 0.00 2.33 -0.04 -1.26 -5.00 135.00 126.33 1j5c n PRO 85 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1j5c n PRO 85 Cb 0.36 -0.18 0.00 0.00 -0.04 0.00 0.00 33.50 33.64 1j5c n PRO 85 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1j5c n HIS 86 N -0.06 -1.07 -2.71 0.54 -0.00 -1.26 -4.74 115.22 105.93 1j5c n HIS 86 Ca 0.00 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.10 1j5c n HIS 86 Cb 0.00 0.15 0.10 0.00 -0.12 0.00 0.00 29.99 30.12 1j5c n HIS 86 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 1j5c n ARG 87 N -0.56 1.06 0.00 1.57 0.63 -1.26 -4.95 116.66 113.15 1j5c n ARG 87 Ca 0.00 -1.82 0.00 0.00 -0.92 0.00 0.00 57.85 55.11 1j5c n ARG 87 Cb 0.00 -0.53 0.00 0.00 0.45 0.00 0.00 32.46 32.38 1j5c n ARG 87 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1j5c n GLY 88 N -0.10 -0.30 2.41 5.14 0.00 -1.26 -5.07 105.19 106.01 1j5c n GLY 88 Ca 0.01 0.52 -0.20 0.00 0.00 0.00 0.00 46.02 46.35 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 -3.00 1.40 0.00 4.61 0.00 -1.26 -5.13 120.51 117.13 1j5c n ALA 89 Ca 0.00 -2.69 0.00 0.00 0.00 0.00 0.00 53.44 50.75 1j5c n ALA 89 Cb 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 2.06 0.61 3.37 0.00 0.00 -1.26 -4.87 105.19 105.10 1j5c n GLY 90 Ca 0.21 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 1j5c n GLY 90 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1j5c s MET 91 N 0.00 0.96 -0.10 1.61 -1.94 -1.26 -4.59 119.30 113.97 1j5c s MET 91 Ca 0.00 -0.20 0.03 0.00 -1.71 0.00 0.00 55.69 53.81 1j5c s MET 91 Cb 0.00 0.44 -0.00 0.00 2.01 0.00 0.00 34.83 37.27 1j5c s MET 91 CO 0.00 -0.33 -0.22 0.14 -0.01 0.00 0.00 175.02 174.61 1j5c s VAL 92 N -2.14 2.25 0.00 -6.03 -7.23 -1.26 -4.66 120.40 101.34 1j5c s VAL 92 Ca -0.07 -0.95 0.00 0.00 -1.81 0.00 0.00 61.98 59.15 1j5c s VAL 92 Cb -0.01 -1.88 0.00 0.00 0.56 0.00 0.00 36.38 35.05 1j5c s VAL 92 CO 0.00 0.55 0.00 0.61 -0.31 0.00 0.00 175.10 175.96 1j5c n GLY 93 N 3.50 2.84 3.31 2.32 0.00 -1.26 -3.65 105.19 112.24 1j5c n GLY 93 Ca -0.19 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.84 1.44 0.34 1.61 -2.85 -0.12 -3.90 119.74 115.42 1j5c s LYS 94 Ca 0.00 -1.65 0.09 0.00 -1.00 0.00 0.00 55.97 53.41 1j5c s LYS 94 Cb 0.00 0.33 -0.06 0.00 -2.06 0.00 0.00 37.83 36.04 1j5c s LYS 94 CO 0.00 -0.52 -0.10 0.08 0.10 0.00 0.00 175.35 174.91 1j5c s VAL 95 N -3.89 2.20 -0.09 1.79 1.01 -0.66 -3.56 120.40 117.21 1j5c s VAL 95 Ca 0.36 -2.21 -0.06 0.00 0.00 0.00 0.00 61.98 60.07 1j5c s VAL 95 Cb 0.04 -2.62 0.04 0.00 0.00 0.00 0.00 36.38 33.84 1j5c s VAL 95 CO 0.15 -0.22 0.22 -0.69 0.00 0.00 0.00 175.10 174.57 1j5c s VAL 96 N -2.64 -0.03 0.04 2.92 1.01 -1.10 -3.45 120.40 117.15 1j5c s VAL 96 Ca 0.32 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.41 1j5c s VAL 96 Cb 0.02 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 36.03 1j5c s VAL 96 CO 0.16 0.04 0.09 -0.69 0.00 0.00 0.00 175.10 174.70 1j5c s VAL 97 N 0.83 4.66 0.00 2.92 1.01 -0.96 -0.13 120.40 128.73 1j5c s VAL 97 Ca -0.06 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1j5c s VAL 97 Cb -0.07 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.12 1j5c s VAL 97 CO -0.05 0.23 0.49 -0.67 0.00 0.00 0.00 175.10 175.10