#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 6.51 -0.23 0.00 2.20 -1.26 -4.97 114.94 117.18 1j5c s ASN 2 Ca 0.00 2.00 -0.29 0.00 -0.94 0.00 0.00 52.86 53.63 1j5c s ASN 2 Cb 0.00 -2.57 0.01 0.00 -2.00 0.00 0.00 41.25 36.69 1j5c s ASN 2 CO 0.00 -0.67 1.03 0.00 -2.94 0.00 0.00 177.10 174.53 1j5c s ALA 3 N -1.81 3.68 0.20 3.54 0.00 -1.12 -4.88 121.76 121.37 1j5c s ALA 3 Ca 0.63 0.16 0.11 0.00 0.00 0.00 0.00 51.96 52.86 1j5c s ALA 3 Cb -0.20 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.33 1j5c s ALA 3 CO 0.24 -1.06 -0.19 -0.08 0.00 0.00 0.00 175.76 174.66 1j5c s THR 4 N 3.21 2.60 0.04 0.00 -1.32 -1.26 -1.88 115.64 117.02 1j5c s THR 4 Ca 0.44 -1.98 0.01 0.00 -1.21 0.00 0.00 61.69 58.95 1j5c s THR 4 Cb -0.15 -2.28 -0.03 0.00 -1.51 0.00 0.00 72.50 68.54 1j5c s THR 4 CO 0.06 -0.15 -0.05 -0.69 -2.21 0.00 0.00 174.62 171.59 1j5c s VAL 5 N -1.78 0.32 -0.32 5.08 1.01 -0.27 -4.93 120.40 119.51 1j5c s VAL 5 Ca 0.23 -1.21 -0.07 0.00 0.00 0.00 0.00 61.98 60.93 1j5c s VAL 5 Cb -0.08 -0.71 0.02 0.00 0.00 0.00 0.00 36.38 35.61 1j5c s VAL 5 CO 0.12 -0.58 0.10 -1.59 0.00 0.00 0.00 175.10 173.15 1j5c s LYS 6 N -2.13 2.95 0.00 2.72 -2.85 -1.26 -2.52 119.74 116.65 1j5c s LYS 6 Ca -0.08 -0.96 -0.39 0.00 -1.00 0.00 0.00 55.97 53.55 1j5c s LYS 6 Cb -0.06 -3.44 -0.18 0.00 -2.06 0.00 0.00 37.83 32.10 1j5c s LYS 6 CO -0.02 -0.53 1.28 -1.33 0.10 0.00 0.00 175.35 174.85 1j5c n MET 7 N 4.87 0.66 0.00 1.78 2.81 -0.45 -4.04 117.12 122.75 1j5c n MET 7 Ca -0.14 0.24 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 1j5c n MET 7 Cb 0.47 -1.82 0.00 0.00 -0.71 0.00 0.00 33.22 31.16 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 2.31 1.92 3.17 3.03 0.00 -1.26 -3.97 105.19 110.39 1j5c n GLY 8 Ca 0.20 -0.52 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 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 -4.00 0.22 0.17 1.61 0.15 -1.22 -2.05 113.70 108.58 1j5c s SER 9 Ca 0.00 -0.72 -0.15 0.00 0.70 0.00 0.00 55.95 55.78 1j5c s SER 9 Cb 0.00 0.29 0.12 0.00 -1.71 0.00 0.00 66.02 64.73 1j5c s SER 9 CO 0.00 -0.67 1.70 -0.78 1.20 0.00 0.00 173.24 174.69 1j5c h ASP 10 N 2.95 -0.16 0.57 5.45 3.58 -1.92 -2.54 116.42 124.36 1j5c h ASP 10 Ca -0.34 0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.19 1j5c h ASP 10 Cb 1.18 0.17 -0.02 0.00 1.72 0.00 0.00 39.33 42.39 1j5c h ASP 10 CO 0.58 -0.05 -0.49 0.28 -2.88 0.00 0.00 179.24 176.68 1j5c h SER 11 N 0.11 -1.32 0.00 2.28 0.02 -2.00 -3.47 113.55 109.17 1j5c h SER 11 Ca 0.21 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1j5c h SER 11 Cb 0.29 0.42 0.00 0.00 0.14 0.00 0.00 62.40 63.25 1j5c h SER 11 CO -0.34 -0.68 0.00 0.61 -1.14 0.00 0.00 176.83 175.28 1j5c n GLY 12 N -1.57 0.01 3.25 -3.77 0.00 -0.95 -5.18 105.19 96.98 1j5c n GLY 12 Ca -0.13 0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 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 1.43 -0.10 4.61 0.00 -1.26 -4.92 121.76 121.52 1j5c s ALA 13 Ca 0.00 -1.54 -0.16 0.00 0.00 0.00 0.00 51.96 50.26 1j5c s ALA 13 Cb 0.00 0.24 -0.14 0.00 0.00 0.00 0.00 23.12 23.23 1j5c s ALA 13 CO 0.00 -0.19 0.52 -0.07 0.00 0.00 0.00 175.76 176.02 1j5c h LEU 14 N 2.73 -0.06 -9.38 0.00 -0.00 -1.93 -3.24 115.31 103.44 1j5c h LEU 14 Ca -0.37 -0.44 -0.55 0.00 -0.00 0.00 0.00 57.88 56.52 1j5c h LEU 14 Cb 1.20 0.02 0.02 0.00 -0.00 0.00 0.00 40.66 41.90 1j5c h LEU 14 CO 0.64 0.62 1.17 1.33 -0.00 0.00 0.00 178.44 182.20 1j5c n VAL 15 N -4.77 0.63 -2.17 1.22 0.24 -1.17 -3.99 118.33 108.32 1j5c n VAL 15 Ca -0.06 -0.11 -0.33 0.00 -2.04 0.00 0.00 64.34 61.80 1j5c n VAL 15 Cb 0.24 -2.17 -0.00 0.00 -1.47 0.00 0.00 33.84 30.45 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 3.93 3.01 -0.11 6.34 -0.12 -1.26 -4.35 117.98 125.42 1j5c s PHE 16 Ca 0.88 1.52 -0.06 0.00 -0.05 0.00 0.00 56.93 59.23 1j5c s PHE 16 Cb -0.51 -3.01 0.05 0.00 -0.63 0.00 0.00 43.02 38.92 1j5c s PHE 16 CO 0.43 -1.02 0.26 -1.21 -0.05 0.00 0.00 175.22 173.63 1j5c s GLU 17 N -3.89 0.22 0.66 1.99 8.01 -0.87 -3.41 118.70 121.41 1j5c s GLU 17 Ca 0.64 0.53 -0.12 0.00 0.01 0.00 0.00 54.97 56.03 1j5c s GLU 17 Cb -0.16 -0.10 -0.01 0.00 -4.31 0.00 0.00 34.13 29.56 1j5c s GLU 17 CO 0.33 -0.15 1.06 -1.25 0.01 0.00 0.00 175.26 175.25 1j5c s PRO 18 N 1.19 3.09 0.02 0.39 0.04 -1.26 -4.29 135.00 134.18 1j5c s PRO 18 Ca -0.09 1.03 0.11 0.00 0.04 0.00 0.00 61.00 62.10 1j5c s PRO 18 Cb -0.10 -2.01 -0.21 0.00 0.04 0.00 0.00 34.50 32.22 1j5c s PRO 18 CO -0.08 -0.98 0.88 0.77 0.04 0.00 0.00 177.00 177.62 1j5c h SER 19 N -0.30 0.00 -3.36 6.66 0.02 -1.87 -3.46 113.55 111.24 1j5c h SER 19 Ca -0.45 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 59.92 1j5c h SER 19 Cb 1.21 0.00 -0.34 0.00 0.14 0.00 0.00 62.40 63.42 1j5c h SER 19 CO 0.57 0.96 -0.84 -0.89 -1.14 0.00 0.00 176.83 175.49 1j5c s THR 20 N -2.66 1.51 0.16 -2.27 2.01 -1.26 -2.26 115.64 110.88 1j5c s THR 20 Ca -0.03 -0.68 0.05 0.00 0.31 0.00 0.00 61.69 61.34 1j5c s THR 20 Cb 0.09 -1.35 -0.05 0.00 0.01 0.00 0.00 72.50 71.20 1j5c s THR 20 CO 0.82 0.44 -0.10 0.68 -0.69 0.00 0.00 174.62 175.77 1j5c s VAL 21 N 0.65 1.26 0.15 3.82 -7.23 -1.25 -5.05 120.40 112.75 1j5c s VAL 21 Ca -0.14 -2.09 -0.16 0.00 -1.81 0.00 0.00 61.98 57.79 1j5c s VAL 21 Cb -0.16 -1.92 -0.07 0.00 0.56 0.00 0.00 36.38 34.78 1j5c s VAL 21 CO 0.04 -0.69 0.58 0.42 -0.31 0.00 0.00 175.10 175.14 1j5c s THR 22 N -3.27 4.80 0.07 5.32 -4.23 -1.26 -3.01 115.64 114.05 1j5c s THR 22 Ca 0.19 0.93 -0.07 0.00 -1.18 0.00 0.00 61.69 61.56 1j5c s THR 22 Cb 0.02 -3.77 -0.01 0.00 1.34 0.00 0.00 72.50 70.09 1j5c s THR 22 CO 0.02 0.26 0.15 -0.51 -0.54 0.00 0.00 174.62 174.00 1j5c s ILE 23 N -1.45 0.15 0.18 2.99 2.07 0.20 -4.48 121.20 120.87 1j5c s ILE 23 Ca 0.38 -1.23 0.05 0.00 -1.41 0.00 0.00 60.65 58.44 1j5c s ILE 23 Cb -0.16 -1.27 -0.04 0.00 0.13 0.00 0.00 42.46 41.13 1j5c s ILE 23 CO 0.19 -0.68 0.20 -0.54 -1.91 0.00 0.00 174.94 172.20 1j5c s LYS 24 N -3.59 3.07 -0.58 3.50 -0.14 -1.26 0.21 119.74 120.94 1j5c s LYS 24 Ca 0.03 -0.83 -0.27 0.00 -1.36 0.00 0.00 55.97 53.54 1j5c s LYS 24 Cb 0.04 -2.72 -0.01 0.00 -1.68 0.00 0.00 37.83 33.45 1j5c s LYS 24 CO -0.09 0.47 1.77 0.00 -0.76 0.00 0.00 175.35 176.74 1j5c s ALA 25 N -1.84 2.35 0.00 5.17 0.00 -1.26 -1.63 121.76 124.55 1j5c s ALA 25 Ca 0.32 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.69 1j5c s ALA 25 Cb -0.10 -4.25 0.00 0.00 0.00 0.00 0.00 23.12 18.78 1j5c s ALA 25 CO 0.25 -3.62 0.00 0.41 0.00 0.00 0.00 175.76 172.81 1j5c n GLY 26 N 5.60 1.74 3.57 0.00 0.00 0.34 -4.94 105.19 111.50 1j5c n GLY 26 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.22 -4.45 1.61 -0.58 -0.65 -4.58 120.64 109.78 1j5c n GLU 27 Ca 0.00 -1.84 -0.23 0.00 -0.42 0.00 0.00 57.16 54.67 1j5c n GLU 27 Cb 0.00 -1.47 -0.09 0.00 -0.57 0.00 0.00 31.44 29.31 1j5c n GLU 27 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 1j5c s GLU 28 N -5.61 1.79 0.14 3.49 -1.05 -1.25 -0.33 118.70 115.88 1j5c s GLU 28 Ca 0.71 -2.06 0.05 0.00 -0.15 0.00 0.00 54.97 53.51 1j5c s GLU 28 Cb -0.04 -0.46 -0.04 0.00 -0.44 0.00 0.00 34.13 33.15 1j5c s GLU 28 CO 0.52 -0.44 -0.11 0.08 0.95 0.00 0.00 175.26 176.26 1j5c s VAL 29 N -3.34 1.16 -0.11 1.83 1.01 0.18 -2.79 120.40 118.34 1j5c s VAL 29 Ca 0.29 -1.96 0.02 0.00 0.00 0.00 0.00 61.98 60.33 1j5c s VAL 29 Cb 0.04 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.70 1j5c s VAL 29 CO 0.16 -0.68 -0.15 -0.75 0.00 0.00 0.00 175.10 173.68 1j5c s LYS 30 N -3.47 2.18 -0.41 2.72 2.20 -0.79 -2.09 119.74 120.07 1j5c s LYS 30 Ca 0.14 -0.55 -0.02 0.00 -0.36 0.00 0.00 55.97 55.18 1j5c s LYS 30 Cb 0.01 -1.86 0.11 0.00 -1.51 0.00 0.00 37.83 34.58 1j5c s LYS 30 CO 0.01 -0.06 0.20 -1.58 -0.36 0.00 0.00 175.35 173.56 1j5c s TRP 31 N 0.98 3.60 0.08 4.03 0.51 -0.99 -1.11 118.94 126.04 1j5c s TRP 31 Ca -0.07 -2.49 -0.12 0.00 -2.12 0.00 0.00 56.10 51.30 1j5c s TRP 31 Cb -0.15 -3.20 -0.06 0.00 -0.81 0.00 0.00 33.47 29.25 1j5c s TRP 31 CO -0.01 -0.97 0.44 0.54 -0.51 0.00 0.00 176.95 176.44 1j5c s VAL 32 N 1.07 5.02 -0.22 4.03 0.11 -1.05 -2.53 120.40 126.83 1j5c s VAL 32 Ca 0.09 0.64 -0.20 0.00 -2.93 0.00 0.00 61.98 59.58 1j5c s VAL 32 Cb -0.22 -3.69 -0.03 0.00 -1.53 0.00 0.00 36.38 30.91 1j5c s VAL 32 CO -0.04 0.35 0.58 0.21 -3.33 0.00 0.00 175.10 172.86 1j5c s ASN 33 N -1.59 6.60 -0.05 3.54 3.84 -1.26 -1.35 114.94 124.67 1j5c s ASN 33 Ca 0.32 0.72 -0.04 0.00 0.21 0.00 0.00 52.86 54.08 1j5c s ASN 33 Cb -0.15 -2.32 -0.01 0.00 -0.55 0.00 0.00 41.25 38.22 1j5c s ASN 33 CO 0.17 -0.26 -0.07 -3.20 -2.79 0.00 0.00 177.10 170.95 1j5c n ASN 34 N 5.13 0.61 -1.88 -4.21 5.15 -1.25 -4.40 115.26 114.41 1j5c n ASN 34 Ca -0.03 0.33 -0.05 0.00 -0.60 0.00 0.00 54.58 54.23 1j5c n ASN 34 Cb 0.50 -0.62 0.01 0.00 -0.53 0.00 0.00 39.78 39.14 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 -3.06 0.50 -2.80 1.20 4.76 -1.26 -4.86 118.16 112.64 1j5c n LYS 35 Ca -0.03 -1.13 -0.01 0.00 -2.87 0.00 0.00 58.31 54.28 1j5c n LYS 35 Cb 0.10 1.32 0.00 0.00 -1.84 0.00 0.00 35.03 34.62 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 -5.94 -4.94 -0.35 4.32 -1.26 -4.83 117.00 104.00 1j5c n LEU 36 Ca -0.03 -0.08 -0.22 0.00 -0.02 0.00 0.00 56.01 55.66 1j5c n LEU 36 Cb 0.28 -2.91 -0.03 0.00 -1.62 0.00 0.00 43.42 39.15 1j5c n LEU 36 CO 0.13 -0.89 -0.07 -0.44 -1.22 0.00 0.00 177.39 174.90 1j5c s SER 37 N -2.85 6.15 1.02 -1.43 0.01 -1.26 -4.44 113.70 110.90 1j5c s SER 37 Ca 0.02 0.01 -0.02 0.00 1.31 0.00 0.00 55.95 57.27 1j5c s SER 37 Cb -0.00 -1.77 0.03 0.00 0.21 0.00 0.00 66.02 64.49 1j5c s SER 37 CO 0.62 -0.05 0.15 -0.81 0.41 0.00 0.00 173.24 173.56 1j5c n PRO 38 N -1.28 -0.72 -3.63 12.44 -0.04 -1.26 -5.09 135.00 135.42 1j5c n PRO 38 Ca -0.09 -0.24 -0.13 0.00 -0.04 0.00 0.00 63.50 63.01 1j5c n PRO 38 Cb 0.57 -0.19 -0.07 0.00 -0.04 0.00 0.00 33.50 33.77 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 -1.31 -0.82 0.34 0.54 3.76 0.15 -4.92 115.29 113.04 1j5c s HIS 39 Ca 0.09 1.92 0.04 0.00 -0.15 0.00 0.00 55.06 56.96 1j5c s HIS 39 Cb -0.01 0.33 -0.06 0.00 1.11 0.00 0.00 32.58 33.96 1j5c s HIS 39 CO 0.07 -0.40 0.06 1.21 -0.85 0.00 0.00 174.74 174.83 1j5c s ASN 40 N 0.58 2.56 -0.45 1.40 2.47 -1.26 0.15 114.94 120.40 1j5c s ASN 40 Ca -0.02 -1.41 0.07 0.00 0.42 0.00 0.00 52.86 51.92 1j5c s ASN 40 Cb -0.05 -0.04 0.22 0.00 -1.45 0.00 0.00 41.25 39.94 1j5c s ASN 40 CO -0.03 -0.63 0.64 -0.38 -3.72 0.00 0.00 177.10 172.98 1j5c n ILE 41 N -0.74 -0.45 -2.85 -5.21 5.41 -1.20 -4.03 119.36 110.29 1j5c n ILE 41 Ca -0.03 -2.63 -0.41 0.00 1.00 0.00 0.00 62.75 60.68 1j5c n ILE 41 Cb 0.66 -0.32 -0.04 0.00 -0.71 0.00 0.00 39.64 39.24 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 -0.05 4.89 -0.20 1.39 1.01 -1.21 0.31 120.40 126.54 1j5c s VAL 42 Ca 0.33 1.81 -0.07 0.00 0.00 0.00 0.00 61.98 64.05 1j5c s VAL 42 Cb 0.14 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 1j5c s VAL 42 CO -0.16 0.22 0.05 -0.36 0.00 0.00 0.00 175.10 174.85 1j5c s PHE 43 N 0.78 3.14 0.70 5.22 0.40 -1.26 -1.38 117.98 125.58 1j5c s PHE 43 Ca 0.46 -0.18 -0.11 0.00 -0.60 0.00 0.00 56.93 56.50 1j5c s PHE 43 Cb -0.20 -2.12 0.02 0.00 0.51 0.00 0.00 43.02 41.22 1j5c s PHE 43 CO 0.24 -0.08 1.09 0.00 0.70 0.00 0.00 175.22 177.17 1j5c s ALA 44 N 0.87 2.92 -1.05 5.36 0.00 0.53 -4.62 121.76 125.77 1j5c s ALA 44 Ca 0.03 -0.38 -0.05 0.00 0.00 0.00 0.00 51.96 51.56 1j5c s ALA 44 Cb -0.14 -3.00 0.28 0.00 0.00 0.00 0.00 23.12 20.27 1j5c s ALA 44 CO 0.02 -1.13 1.21 0.00 0.00 0.00 0.00 175.76 175.87 1j5c n ALA 45 N -2.99 4.58 -3.25 0.00 0.00 -1.26 -4.45 120.51 113.14 1j5c n ALA 45 Ca 0.07 -4.73 -0.46 0.00 0.00 0.00 0.00 53.44 48.32 1j5c n ALA 45 Cb 0.57 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 17.77 1j5c n ALA 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1j5c s ASP 46 N -0.44 6.49 0.00 0.00 1.01 -1.26 -4.43 116.67 118.05 1j5c s ASP 46 Ca 0.31 -2.16 0.00 0.00 0.71 0.00 0.00 52.55 51.41 1j5c s ASP 46 Cb -0.02 -2.24 0.00 0.00 1.01 0.00 0.00 42.92 41.67 1j5c s ASP 46 CO -0.00 -0.79 0.00 0.61 0.21 0.00 0.00 175.17 175.20 1j5c n GLY 47 N 4.70 2.41 3.90 0.21 0.00 -1.26 -4.87 105.19 110.28 1j5c n GLY 47 Ca 0.03 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.99 4.77 0.79 1.61 1.01 -1.26 -5.04 120.40 121.30 1j5c s VAL 48 Ca 0.00 0.27 -0.14 0.00 0.00 0.00 0.00 61.98 62.11 1j5c s VAL 48 Cb 0.00 -3.83 0.06 0.00 0.00 0.00 0.00 36.38 32.61 1j5c s VAL 48 CO 0.00 -0.86 1.10 0.47 0.00 0.00 0.00 175.10 175.81 1j5c n ASP 49 N -2.36 0.72 0.09 3.32 8.00 -1.26 -4.74 116.55 120.32 1j5c n ASP 49 Ca 0.02 0.60 -0.11 0.00 0.71 0.00 0.00 54.79 56.00 1j5c n ASP 49 Cb 0.55 -1.47 -0.07 0.00 -0.02 0.00 0.00 41.12 40.11 1j5c n ASP 49 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j5c h ALA 50 N -0.76 -0.30 -0.51 2.24 0.00 -1.96 -2.17 119.26 115.81 1j5c h ALA 50 Ca -0.46 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.33 1j5c h ALA 50 Cb 1.31 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 19.11 1j5c h ALA 50 CO 0.46 -0.38 -0.34 -0.44 0.00 0.00 0.00 179.25 178.55 1j5c h ASP 51 N -0.88 -1.15 -0.07 0.00 3.32 -1.99 0.28 116.42 115.93 1j5c h ASP 51 Ca -0.03 0.21 0.04 0.00 0.02 0.00 0.00 57.03 57.27 1j5c h ASP 51 Cb 0.51 0.55 -0.06 0.00 0.22 0.00 0.00 39.33 40.55 1j5c h ASP 51 CO 0.05 -0.31 -0.35 0.74 -1.72 0.00 0.00 179.24 177.65 1j5c h THR 52 N -0.21 0.25 -0.87 0.35 2.02 -1.95 0.22 112.91 112.72 1j5c h THR 52 Ca 0.20 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.60 1j5c h THR 52 Cb 0.55 0.25 -0.05 0.00 -1.74 0.00 0.00 68.15 67.15 1j5c h THR 52 CO -0.62 0.00 0.59 0.00 0.37 0.00 0.00 175.52 175.86 1j5c h ALA 53 N 0.25 2.43 -0.50 6.16 0.00 -0.46 0.54 119.26 127.68 1j5c h ALA 53 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1j5c h ALA 53 Cb 0.58 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1j5c h ALA 53 CO -0.33 -0.69 0.13 0.00 0.00 0.00 0.00 179.25 178.36 1j5c h ALA 54 N 1.60 0.66 -0.39 0.00 0.00 0.26 1.42 119.26 122.81 1j5c h ALA 54 Ca 0.44 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 1j5c h ALA 54 Cb 1.33 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1j5c h ALA 54 CO -0.11 0.33 -0.34 -0.22 0.00 0.00 0.00 179.25 178.91 1j5c h LYS 55 N 0.68 0.92 -0.00 0.00 3.64 0.12 -2.25 116.57 119.68 1j5c h LYS 55 Ca 0.16 -0.47 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1j5c h LYS 55 Cb 0.31 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1j5c h LYS 55 CO -0.00 1.12 -0.03 1.28 -2.27 0.00 0.00 179.45 179.55 1j5c n LEU 56 N -4.10 0.23 -4.73 5.20 4.77 0.97 -4.76 117.00 114.57 1j5c n LEU 56 Ca -0.02 0.08 -0.37 0.00 -0.03 0.00 0.00 56.01 55.66 1j5c n LEU 56 Cb 0.52 -0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.39 1j5c n LEU 56 CO 0.48 0.04 0.11 -0.55 -1.33 0.00 0.00 177.39 176.14 1j5c s SER 57 N -2.35 6.61 -0.57 -1.43 0.15 0.48 -4.47 113.70 112.12 1j5c s SER 57 Ca 0.35 0.73 -0.19 0.00 0.70 0.00 0.00 55.95 57.54 1j5c s SER 57 Cb 0.21 -2.25 0.10 0.00 -1.71 0.00 0.00 66.02 62.37 1j5c s SER 57 CO 0.43 0.06 0.67 -1.00 1.20 0.00 0.00 173.24 174.59 1j5c s HIS 58 N 0.45 3.03 0.03 3.44 3.76 0.15 -4.82 115.29 121.33 1j5c s HIS 58 Ca 0.23 -0.94 0.02 0.00 -0.15 0.00 0.00 55.06 54.22 1j5c s HIS 58 Cb -0.15 -3.91 -0.25 0.00 1.11 0.00 0.00 32.58 29.39 1j5c s HIS 58 CO 0.08 -1.22 0.96 0.87 -0.85 0.00 0.00 174.74 174.58 1j5c h LYS 59 N 9.12 0.15 -6.32 1.40 1.57 -1.90 -3.16 116.57 117.43 1j5c h LYS 59 Ca -0.29 -0.26 -0.55 0.00 -1.87 0.00 0.00 60.65 57.68 1j5c h LYS 59 Cb 1.09 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 1j5c h LYS 59 CO 1.07 1.00 0.73 0.20 -0.57 0.00 0.00 179.45 181.88 1j5c s GLY 60 N -4.89 2.04 0.49 3.86 0.00 -1.26 -4.95 107.32 102.61 1j5c s GLY 60 Ca -0.05 0.68 -0.16 0.00 0.00 0.00 0.00 44.72 45.19 1j5c s GLY 60 CO 0.84 2.28 0.94 1.08 0.00 0.00 0.00 173.10 178.25 1j5c s LEU 61 N 2.27 3.68 -0.12 0.66 1.02 -1.26 -4.70 118.68 120.22 1j5c s LEU 61 Ca 0.58 1.50 -0.02 0.00 0.02 0.00 0.00 54.13 56.20 1j5c s LEU 61 Cb -0.26 -4.42 -0.03 0.00 0.02 0.00 0.00 46.19 41.50 1j5c s LEU 61 CO 0.23 -0.54 -0.03 0.00 0.02 0.00 0.00 176.35 176.03 1j5c s ALA 62 N -2.56 3.09 0.09 4.21 0.00 0.40 -4.88 121.76 122.11 1j5c s ALA 62 Ca 0.58 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.71 1j5c s ALA 62 Cb -0.10 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.53 1j5c s ALA 62 CO 0.30 0.38 0.00 1.19 0.00 0.00 0.00 175.76 177.63 1j5c n PHE 63 N 2.91 -0.38 -2.53 0.00 3.72 -1.26 -0.68 117.46 119.25 1j5c n PHE 63 Ca -0.18 0.07 -0.42 0.00 -0.05 0.00 0.00 57.45 56.87 1j5c n PHE 63 Cb 0.53 0.12 -0.03 0.00 -0.94 0.00 0.00 39.48 39.16 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 3.43 -1.02 4.37 0.00 -1.26 -4.82 121.76 120.46 1j5c s ALA 64 Ca 0.00 0.60 -0.23 0.00 0.00 0.00 0.00 51.96 52.32 1j5c s ALA 64 Cb 0.00 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.60 1j5c s ALA 64 CO 0.00 -0.63 1.89 0.00 0.00 0.00 0.00 175.76 177.02 1j5c s ALA 65 N 1.88 1.88 0.00 0.00 0.00 -1.26 -2.75 121.76 121.51 1j5c s ALA 65 Ca 0.54 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.65 1j5c s ALA 65 Cb -0.24 -4.60 0.00 0.00 0.00 0.00 0.00 23.12 18.29 1j5c s ALA 65 CO 0.23 -4.77 0.00 0.41 0.00 0.00 0.00 175.76 171.63 1j5c n GLY 66 N 6.45 0.23 3.54 0.00 0.00 -1.26 -5.03 105.19 109.12 1j5c n GLY 66 Ca 0.41 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.99 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 3.38 0.07 1.61 2.02 -1.11 -4.96 118.70 119.70 1j5c s GLU 67 Ca 0.00 -0.11 0.04 0.00 0.02 0.00 0.00 54.97 54.92 1j5c s GLU 67 Cb 0.00 -4.05 -0.04 0.00 0.10 0.00 0.00 34.13 30.14 1j5c s GLU 67 CO 0.00 -1.60 0.00 -1.54 0.02 0.00 0.00 175.26 172.14 1j5c s SER 68 N 2.96 5.05 0.48 -0.19 1.04 -1.26 -4.52 113.70 117.26 1j5c s SER 68 Ca 0.35 -0.13 0.08 0.00 0.48 0.00 0.00 55.95 56.72 1j5c s SER 68 Cb -0.11 -1.24 0.03 0.00 0.10 0.00 0.00 66.02 64.81 1j5c s SER 68 CO 0.21 0.20 0.65 -0.36 0.98 0.00 0.00 173.24 174.92 1j5c s PHE 69 N -1.25 2.41 -0.02 5.02 0.08 -1.05 -4.94 117.98 118.23 1j5c s PHE 69 Ca 0.24 -0.46 -0.08 0.00 0.12 0.00 0.00 56.93 56.75 1j5c s PHE 69 Cb -0.12 -2.37 0.01 0.00 -0.57 0.00 0.00 43.02 39.97 1j5c s PHE 69 CO 0.16 -0.67 0.18 0.99 -0.10 0.00 0.00 175.22 175.78 1j5c s THR 70 N -2.48 0.06 0.00 0.64 2.01 -1.26 -2.33 115.64 112.28 1j5c s THR 70 Ca 0.57 -0.49 -0.07 0.00 0.31 0.00 0.00 61.69 62.01 1j5c s THR 70 Cb -0.09 -0.43 0.00 0.00 0.01 0.00 0.00 72.50 72.00 1j5c s THR 70 CO 0.35 -0.27 0.14 -0.94 -0.69 0.00 0.00 174.62 173.21 1j5c s SER 71 N -1.02 0.03 -0.06 3.53 1.04 -0.89 -4.95 113.70 111.38 1j5c s SER 71 Ca -0.11 -0.22 0.05 0.00 0.48 0.00 0.00 55.95 56.14 1j5c s SER 71 Cb -0.06 0.21 -0.02 0.00 0.10 0.00 0.00 66.02 66.25 1j5c s SER 71 CO 0.02 -0.38 -0.19 -0.89 0.98 0.00 0.00 173.24 172.77 1j5c s THR 72 N -1.46 2.61 -0.51 2.02 2.01 -1.26 0.49 115.64 119.54 1j5c s THR 72 Ca -0.14 -0.88 -0.08 0.00 0.31 0.00 0.00 61.69 60.90 1j5c s THR 72 Cb -0.07 -2.00 0.13 0.00 0.01 0.00 0.00 72.50 70.57 1j5c s THR 72 CO 0.01 0.57 0.38 -0.36 -0.69 0.00 0.00 174.62 174.54 1j5c s PHE 73 N -0.41 3.46 -0.06 4.92 0.40 0.55 -4.86 117.98 121.99 1j5c s PHE 73 Ca 0.04 -2.02 -0.22 0.00 -0.60 0.00 0.00 56.93 54.13 1j5c s PHE 73 Cb -0.12 -3.47 -0.30 0.00 0.51 0.00 0.00 43.02 39.63 1j5c s PHE 73 CO 0.02 -0.98 0.84 1.15 0.70 0.00 0.00 175.22 176.95 1j5c h THR 74 N 5.94 1.47 -3.31 0.64 2.02 -1.88 0.98 112.91 118.77 1j5c h THR 74 Ca -0.16 -2.51 -0.58 0.00 0.77 0.00 0.00 66.41 63.94 1j5c h THR 74 Cb 1.05 3.15 -0.07 0.00 -1.74 0.00 0.00 68.15 70.55 1j5c h THR 74 CO 0.83 0.70 0.37 -1.61 0.37 0.00 0.00 175.52 176.18 1j5c s GLU 75 N -2.42 4.31 -1.15 6.66 2.02 -1.26 -4.34 118.70 122.52 1j5c s GLU 75 Ca -0.15 1.02 -0.21 0.00 0.02 0.00 0.00 54.97 55.64 1j5c s GLU 75 Cb 0.01 -3.57 -0.00 0.00 0.10 0.00 0.00 34.13 30.67 1j5c s GLU 75 CO 0.81 -0.30 1.79 -1.25 0.02 0.00 0.00 175.26 176.33 1j5c s PRO 76 N 2.05 3.19 0.00 0.39 0.04 -1.26 -4.81 135.00 134.61 1j5c s PRO 76 Ca 0.38 -1.29 0.00 0.00 0.04 0.00 0.00 61.00 60.13 1j5c s PRO 76 Cb -0.17 -5.33 0.00 0.00 0.04 0.00 0.00 34.50 29.04 1j5c s PRO 76 CO 0.13 -3.00 0.00 0.41 0.04 0.00 0.00 177.00 174.58 1j5c n GLY 77 N 6.04 5.31 2.85 0.56 0.00 -1.26 -4.92 105.19 113.77 1j5c n GLY 77 Ca 0.43 -1.21 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 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 0.37 1.28 0.45 2.61 2.01 -1.26 -2.18 115.64 118.91 1j5c s THR 78 Ca 0.00 -1.38 -0.10 0.00 0.31 0.00 0.00 61.69 60.53 1j5c s THR 78 Cb 0.00 -1.79 -0.06 0.00 0.01 0.00 0.00 72.50 70.67 1j5c s THR 78 CO 0.00 -0.40 0.81 -0.31 -0.69 0.00 0.00 174.62 174.03 1j5c s TYR 79 N 1.46 3.51 0.02 4.92 1.51 -1.13 -4.89 117.35 122.75 1j5c s TYR 79 Ca 0.03 1.04 0.01 0.00 -1.01 0.00 0.00 57.07 57.14 1j5c s TYR 79 Cb -0.18 -2.46 -0.01 0.00 -0.11 0.00 0.00 41.96 39.20 1j5c s TYR 79 CO -0.14 -0.22 -0.05 0.99 -1.11 0.00 0.00 175.55 175.02 1j5c s THR 80 N -2.56 0.34 0.24 -0.71 2.01 -1.26 -1.72 115.64 111.99 1j5c s THR 80 Ca 0.51 -0.68 -0.17 0.00 0.31 0.00 0.00 61.69 61.67 1j5c s THR 80 Cb -0.10 -0.39 0.01 0.00 0.01 0.00 0.00 72.50 72.03 1j5c s THR 80 CO 0.37 -0.23 0.56 -0.72 -0.69 0.00 0.00 174.62 173.91 1j5c s TYR 81 N -0.88 0.06 0.00 4.92 -0.85 -1.22 -0.35 117.35 119.04 1j5c s TYR 81 Ca -0.07 -0.45 0.00 0.00 -0.52 0.00 0.00 57.07 56.03 1j5c s TYR 81 Cb -0.07 0.40 0.00 0.00 0.38 0.00 0.00 41.96 42.67 1j5c s TYR 81 CO -0.00 -1.04 0.00 0.66 -1.52 0.00 0.00 175.55 173.64 1j5c n TYR 82 N -0.39 0.00 -2.59 -3.49 4.02 -0.48 -4.10 117.16 110.13 1j5c n TYR 82 Ca -0.05 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.83 1j5c n TYR 82 Cb 0.61 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.99 1j5c n TYR 82 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1j5c n GLU 84 N -0.72 -2.91 -1.21 0.00 1.02 -1.26 -4.09 120.64 111.47 1j5c n GLU 84 Ca -0.09 2.36 -0.36 0.00 -0.02 0.00 0.00 57.16 59.06 1j5c n GLU 84 Cb 0.86 -3.48 -0.03 0.00 -0.02 0.00 0.00 31.44 28.78 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 -4.18 2.45 -2.20 3.49 -0.04 -1.26 -4.90 135.00 128.36 1j5c n PRO 85 Ca -0.08 -2.00 -0.26 0.00 -0.04 0.00 0.00 63.50 61.12 1j5c n PRO 85 Cb 0.61 -2.86 0.08 0.00 -0.04 0.00 0.00 33.50 31.29 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 3.53 2.75 -0.81 0.54 -3.43 -1.26 -4.87 115.29 111.74 1j5c s HIS 86 Ca 0.53 0.40 -0.32 0.00 -0.80 0.00 0.00 55.06 54.86 1j5c s HIS 86 Cb 0.14 -3.25 -0.19 0.00 -1.43 0.00 0.00 32.58 27.85 1j5c s HIS 86 CO -0.01 -1.52 2.55 -2.13 -2.00 0.00 0.00 174.74 171.63 1j5c n ARG 87 N -2.98 0.24 0.00 -0.38 0.63 -1.26 -3.96 116.66 108.94 1j5c n ARG 87 Ca 0.09 0.02 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 1j5c n ARG 87 Cb 0.60 -1.87 0.00 0.00 0.45 0.00 0.00 32.46 31.65 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 6.56 0.39 0.00 5.14 0.00 -1.26 -4.97 105.19 111.05 1j5c n GLY 88 Ca 0.58 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.00 0.00 -1.77 4.61 0.00 -1.25 -5.09 120.51 116.01 1j5c n ALA 89 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1j5c n ALA 89 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1j5c n ALA 89 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1j5c s GLY 90 N 0.00 0.80 0.00 0.00 0.00 -1.26 -4.76 107.32 102.10 1j5c s GLY 90 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 44.72 45.43 1j5c s GLY 90 CO 0.00 3.54 0.00 -0.13 0.00 0.00 0.00 173.10 176.51 1j5c n MET 91 N 8.37 0.00 -3.75 2.90 0.00 -1.26 -3.06 117.12 120.32 1j5c n MET 91 Ca 0.25 0.00 -0.36 0.00 0.00 0.00 0.00 57.70 57.59 1j5c n MET 91 Cb 0.45 0.00 -0.11 0.00 0.00 0.00 0.00 33.22 33.56 1j5c n MET 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 1j5c s VAL 92 N 0.00 4.92 -0.03 1.12 -7.23 -1.26 -4.58 120.40 113.34 1j5c s VAL 92 Ca 0.00 0.03 -0.11 0.00 -1.81 0.00 0.00 61.98 60.09 1j5c s VAL 92 Cb 0.00 -3.29 0.02 0.00 0.56 0.00 0.00 36.38 33.66 1j5c s VAL 92 CO 0.00 0.35 0.24 -0.83 -0.31 0.00 0.00 175.10 174.54 1j5c s GLY 93 N 1.24 -0.10 0.07 2.32 0.00 -1.26 -4.82 107.32 104.77 1j5c s GLY 93 Ca 0.06 0.29 -0.07 0.00 0.00 0.00 0.00 44.72 45.00 1j5c s GLY 93 CO 0.05 0.14 0.15 -1.59 0.00 0.00 0.00 173.10 171.85 1j5c s LYS 94 N -0.91 0.76 0.18 2.90 -2.85 -0.96 -3.41 119.74 115.46 1j5c s LYS 94 Ca -0.10 -0.92 0.11 0.00 -1.00 0.00 0.00 55.97 54.06 1j5c s LYS 94 Cb -0.05 0.31 -0.04 0.00 -2.06 0.00 0.00 37.83 35.98 1j5c s LYS 94 CO 0.02 -0.22 -0.19 0.08 0.10 0.00 0.00 175.35 175.13 1j5c s VAL 95 N -3.54 2.63 -0.06 1.79 1.01 -0.70 -3.85 120.40 117.68 1j5c s VAL 95 Ca 0.03 -1.89 -0.01 0.00 0.00 0.00 0.00 61.98 60.11 1j5c s VAL 95 Cb 0.04 -2.27 0.03 0.00 0.00 0.00 0.00 36.38 34.18 1j5c s VAL 95 CO -0.09 -0.10 -0.01 -0.69 0.00 0.00 0.00 175.10 174.21 1j5c s VAL 96 N -1.64 0.42 -0.60 2.92 1.01 -1.16 -2.83 120.40 118.51 1j5c s VAL 96 Ca 0.22 0.05 -0.18 0.00 0.00 0.00 0.00 61.98 62.07 1j5c s VAL 96 Cb -0.08 -0.54 0.12 0.00 0.00 0.00 0.00 36.38 35.88 1j5c s VAL 96 CO 0.11 0.25 0.67 -0.69 0.00 0.00 0.00 175.10 175.44 1j5c s VAL 97 N 1.66 4.94 -0.83 2.92 1.01 -0.93 -0.62 120.40 128.55 1j5c s VAL 97 Ca 0.00 -1.19 0.07 0.00 0.00 0.00 0.00 61.98 60.86 1j5c s VAL 97 Cb -0.13 -4.46 0.05 0.00 0.00 0.00 0.00 36.38 31.84 1j5c s VAL 97 CO -0.04 -1.07 0.71 -0.90 0.00 0.00 0.00 175.10 173.80