#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 7.05 0.25 0.00 2.20 -1.26 -4.87 114.94 118.31 1j5c s ASN 2 Ca 0.00 1.98 -0.14 0.00 -0.94 0.00 0.00 52.86 53.75 1j5c s ASN 2 Cb 0.00 -2.59 -0.08 0.00 -2.00 0.00 0.00 41.25 36.58 1j5c s ASN 2 CO 0.00 -0.28 0.65 0.00 -2.94 0.00 0.00 177.10 174.53 1j5c s ALA 3 N -1.60 3.45 0.03 3.54 0.00 -1.21 -4.91 121.76 121.07 1j5c s ALA 3 Ca 0.53 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.44 1j5c s ALA 3 Cb -0.21 -2.64 -0.02 0.00 0.00 0.00 0.00 23.12 20.25 1j5c s ALA 3 CO 0.27 0.40 -0.04 -0.08 0.00 0.00 0.00 175.76 176.32 1j5c s THR 4 N -1.76 0.20 -0.04 0.00 -1.32 -1.26 -1.10 115.64 110.36 1j5c s THR 4 Ca 0.47 -0.99 0.00 0.00 -1.21 0.00 0.00 61.69 59.97 1j5c s THR 4 Cb -0.12 -0.39 0.02 0.00 -1.51 0.00 0.00 72.50 70.50 1j5c s THR 4 CO 0.19 -0.50 -0.02 -0.69 -2.21 0.00 0.00 174.62 171.39 1j5c s VAL 5 N -1.56 0.36 -0.12 5.08 1.01 -0.93 -4.68 120.40 119.55 1j5c s VAL 5 Ca -0.14 -0.00 -0.27 0.00 0.00 0.00 0.00 61.98 61.58 1j5c s VAL 5 Cb -0.09 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.84 1j5c s VAL 5 CO -0.01 0.20 0.87 -1.59 0.00 0.00 0.00 175.10 174.57 1j5c s LYS 6 N 1.10 4.37 -1.08 2.72 -2.85 -1.24 -3.21 119.74 119.55 1j5c s LYS 6 Ca -0.08 1.13 -0.23 0.00 -1.00 0.00 0.00 55.97 55.79 1j5c s LYS 6 Cb -0.14 -3.54 -0.02 0.00 -2.06 0.00 0.00 37.83 32.07 1j5c s LYS 6 CO -0.01 -0.25 1.81 -1.64 0.10 0.00 0.00 175.35 175.36 1j5c s MET 7 N 1.84 2.98 0.00 1.78 -1.94 -0.65 -4.24 119.30 119.07 1j5c s MET 7 Ca 0.42 -1.02 0.00 0.00 -1.71 0.00 0.00 55.69 53.38 1j5c s MET 7 Cb -0.17 -5.26 0.00 0.00 2.01 0.00 0.00 34.83 31.41 1j5c s MET 7 CO 0.16 -3.15 0.00 0.41 -0.01 0.00 0.00 175.02 172.43 1j5c n GLY 8 N 6.28 1.87 3.90 -0.03 0.00 -1.12 -2.26 105.19 113.82 1j5c n GLY 8 Ca 0.42 -2.12 -0.33 0.00 0.00 0.00 0.00 46.02 43.99 1j5c n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j5c s SER 9 N 0.00 6.45 0.09 1.61 0.01 -1.05 -4.75 113.70 116.06 1j5c s SER 9 Ca 0.00 0.48 -0.25 0.00 1.31 0.00 0.00 55.95 57.49 1j5c s SER 9 Cb 0.00 -2.05 -0.09 0.00 0.21 0.00 0.00 66.02 64.09 1j5c s SER 9 CO 0.00 0.17 1.41 -0.78 0.41 0.00 0.00 173.24 174.45 1j5c h ASP 10 N 3.38 -1.37 -0.85 2.44 1.82 -1.97 -1.04 116.42 118.83 1j5c h ASP 10 Ca -0.47 0.17 0.13 0.00 -0.39 0.00 0.00 57.03 56.47 1j5c h ASP 10 Cb 1.18 0.55 -0.14 0.00 0.68 0.00 0.00 39.33 41.59 1j5c h ASP 10 CO 0.71 -0.33 -0.40 -1.28 -1.61 0.00 0.00 179.24 176.33 1j5c h SER 11 N -0.36 -1.43 0.00 2.28 0.87 -2.03 -3.45 113.55 109.42 1j5c h SER 11 Ca 0.04 0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 1j5c h SER 11 Cb 0.48 0.72 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1j5c h SER 11 CO -0.40 -0.29 0.00 0.61 -0.53 0.00 0.00 176.83 176.22 1j5c n GLY 12 N -1.44 0.25 3.06 5.77 0.00 -0.39 -5.16 105.19 107.27 1j5c n GLY 12 Ca 0.07 -0.35 -0.16 0.00 0.00 0.00 0.00 46.02 45.59 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 0.69 -1.21 4.61 0.00 -1.25 -4.95 121.76 119.65 1j5c s ALA 13 Ca 0.00 -0.64 -0.19 0.00 0.00 0.00 0.00 51.96 51.13 1j5c s ALA 13 Cb 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 1j5c s ALA 13 CO 0.00 0.07 1.95 -0.11 0.00 0.00 0.00 175.76 177.67 1j5c n LEU 14 N 1.96 4.89 -4.35 0.00 0.00 -1.26 -2.54 117.00 115.70 1j5c n LEU 14 Ca -0.19 -3.62 -0.21 0.00 0.00 0.00 0.00 56.01 51.99 1j5c n LEU 14 Cb 0.56 -1.60 -0.08 0.00 0.00 0.00 0.00 43.42 42.30 1j5c n LEU 14 CO 0.22 -0.12 -0.13 0.68 0.00 0.00 0.00 177.39 178.05 1j5c s VAL 15 N 5.56 0.14 -0.16 1.96 -7.23 -1.26 -4.60 120.40 114.80 1j5c s VAL 15 Ca 0.56 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.69 1j5c s VAL 15 Cb 0.08 -2.44 0.08 0.00 0.56 0.00 0.00 36.38 34.65 1j5c s VAL 15 CO 0.05 0.00 0.22 0.72 -0.31 0.00 0.00 175.10 175.78 1j5c s PHE 16 N -3.36 -0.29 -0.07 2.82 -0.71 -1.26 -2.78 117.98 112.33 1j5c s PHE 16 Ca 0.36 0.46 -0.06 0.00 -1.04 0.00 0.00 56.93 56.64 1j5c s PHE 16 Cb 0.02 -0.27 0.02 0.00 -1.21 0.00 0.00 43.02 41.58 1j5c s PHE 16 CO 0.25 -0.48 0.19 -1.21 -1.34 0.00 0.00 175.22 172.62 1j5c s GLU 17 N 2.34 0.22 0.31 1.99 2.02 -1.26 -3.01 118.70 121.31 1j5c s GLU 17 Ca 0.05 0.28 -0.28 0.00 0.02 0.00 0.00 54.97 55.04 1j5c s GLU 17 Cb -0.14 0.09 -0.09 0.00 0.10 0.00 0.00 34.13 34.08 1j5c s GLU 17 CO -0.10 -0.04 1.07 -1.25 0.02 0.00 0.00 175.26 174.96 1j5c s PRO 18 N 0.20 4.52 0.21 0.39 0.04 -1.26 -3.70 135.00 135.40 1j5c s PRO 18 Ca -0.01 1.69 -0.08 0.00 0.04 0.00 0.00 61.00 62.64 1j5c s PRO 18 Cb -0.02 -3.00 0.17 0.00 0.04 0.00 0.00 34.50 31.68 1j5c s PRO 18 CO -0.00 0.13 1.80 0.66 0.04 0.00 0.00 177.00 179.63 1j5c h SER 19 N 3.45 1.08 -4.56 6.66 4.64 -1.91 -3.42 113.55 119.48 1j5c h SER 19 Ca -0.47 -0.15 -0.69 0.00 -0.47 0.00 0.00 61.79 60.02 1j5c h SER 19 Cb 1.21 -0.28 -0.30 0.00 -0.31 0.00 0.00 62.40 62.73 1j5c h SER 19 CO 0.66 0.93 -0.88 -0.89 -0.87 0.00 0.00 176.83 175.77 1j5c s THR 20 N -5.65 2.00 0.04 2.95 2.01 -1.26 -2.43 115.64 113.28 1j5c s THR 20 Ca -0.13 -1.10 0.01 0.00 0.31 0.00 0.00 61.69 60.78 1j5c s THR 20 Cb 0.16 -1.66 -0.02 0.00 0.01 0.00 0.00 72.50 70.98 1j5c s THR 20 CO 0.83 0.55 -0.05 0.68 -0.69 0.00 0.00 174.62 175.94 1j5c s VAL 21 N -0.61 0.31 0.02 3.82 -7.23 -1.25 -5.08 120.40 110.38 1j5c s VAL 21 Ca 0.10 -1.11 -0.16 0.00 -1.81 0.00 0.00 61.98 59.00 1j5c s VAL 21 Cb -0.10 -0.58 -0.06 0.00 0.56 0.00 0.00 36.38 36.20 1j5c s VAL 21 CO -0.01 -0.53 0.45 0.42 -0.31 0.00 0.00 175.10 175.13 1j5c s THR 22 N -1.78 4.96 0.07 5.32 -4.23 -1.26 -2.78 115.64 115.93 1j5c s THR 22 Ca -0.10 0.91 -0.07 0.00 -1.18 0.00 0.00 61.69 61.25 1j5c s THR 22 Cb -0.07 -3.75 -0.01 0.00 1.34 0.00 0.00 72.50 70.00 1j5c s THR 22 CO -0.02 0.56 0.13 -0.51 -0.54 0.00 0.00 174.62 174.24 1j5c s ILE 23 N -1.11 0.16 0.19 2.99 2.07 0.27 -4.48 121.20 121.29 1j5c s ILE 23 Ca 0.26 -1.29 0.05 0.00 -1.41 0.00 0.00 60.65 58.26 1j5c s ILE 23 Cb -0.17 -1.31 -0.04 0.00 0.13 0.00 0.00 42.46 41.07 1j5c s ILE 23 CO 0.15 -0.71 0.20 -0.54 -1.91 0.00 0.00 174.94 172.13 1j5c s LYS 24 N -3.66 3.06 -0.61 3.50 1.02 -1.26 0.12 119.74 121.90 1j5c s LYS 24 Ca 0.04 -0.86 -0.27 0.00 0.02 0.00 0.00 55.97 54.90 1j5c s LYS 24 Cb 0.05 -2.71 -0.01 0.00 -0.52 0.00 0.00 37.83 34.64 1j5c s LYS 24 CO -0.10 0.46 1.75 0.00 -0.92 0.00 0.00 175.35 176.55 1j5c s ALA 25 N -1.87 2.33 0.00 5.17 0.00 -1.26 -1.52 121.76 124.61 1j5c s ALA 25 Ca 0.32 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.59 1j5c s ALA 25 Cb -0.10 -4.27 0.00 0.00 0.00 0.00 0.00 23.12 18.75 1j5c s ALA 25 CO 0.25 -3.69 0.00 0.41 0.00 0.00 0.00 175.76 172.74 1j5c n GLY 26 N 5.61 1.67 3.77 0.00 0.00 0.33 -4.93 105.19 111.65 1j5c n GLY 26 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.45 0.26 1.61 0.41 -0.57 -4.71 118.70 115.24 1j5c s GLU 27 Ca 0.00 -0.33 0.05 0.00 -0.41 0.00 0.00 54.97 54.28 1j5c s GLU 27 Cb 0.00 -1.71 -0.06 0.00 -1.78 0.00 0.00 34.13 30.58 1j5c s GLU 27 CO 0.00 -3.16 -0.02 -1.21 -0.49 0.00 0.00 175.26 170.38 1j5c s GLU 28 N -5.72 1.46 0.22 1.61 2.02 -1.26 -1.82 118.70 115.21 1j5c s GLU 28 Ca 0.74 -1.75 0.06 0.00 0.02 0.00 0.00 54.97 54.04 1j5c s GLU 28 Cb -0.05 -0.87 -0.05 0.00 0.10 0.00 0.00 34.13 33.26 1j5c s GLU 28 CO 0.55 -0.05 -0.08 0.08 0.02 0.00 0.00 175.26 175.78 1j5c s VAL 29 N -3.24 1.43 -0.06 2.63 1.01 -0.93 -3.28 120.40 117.96 1j5c s VAL 29 Ca 0.30 -2.11 0.00 0.00 0.00 0.00 0.00 61.98 60.16 1j5c s VAL 29 Cb 0.05 -2.20 0.02 0.00 0.00 0.00 0.00 36.38 34.26 1j5c s VAL 29 CO 0.11 -0.47 -0.03 -0.75 0.00 0.00 0.00 175.10 173.95 1j5c s LYS 30 N -3.74 0.78 -0.40 2.72 2.20 -0.25 -2.36 119.74 118.68 1j5c s LYS 30 Ca 0.25 -0.04 -0.01 0.00 -0.36 0.00 0.00 55.97 55.81 1j5c s LYS 30 Cb 0.03 -0.91 0.11 0.00 -1.51 0.00 0.00 37.83 35.55 1j5c s LYS 30 CO 0.07 -0.16 0.18 -1.58 -0.36 0.00 0.00 175.35 173.50 1j5c s TRP 31 N 1.30 3.62 0.10 4.03 0.51 -0.86 -2.19 118.94 125.45 1j5c s TRP 31 Ca -0.05 -2.58 -0.14 0.00 -2.12 0.00 0.00 56.10 51.22 1j5c s TRP 31 Cb -0.14 -3.15 -0.06 0.00 -0.81 0.00 0.00 33.47 29.31 1j5c s TRP 31 CO -0.02 -0.96 0.49 0.08 -0.51 0.00 0.00 176.95 176.03 1j5c s VAL 32 N 1.03 4.93 0.24 4.03 1.01 -1.20 -2.77 120.40 127.67 1j5c s VAL 32 Ca 0.09 0.77 -0.30 0.00 0.00 0.00 0.00 61.98 62.54 1j5c s VAL 32 Cb -0.22 -3.72 -0.09 0.00 0.00 0.00 0.00 36.38 32.35 1j5c s VAL 32 CO -0.05 0.34 1.03 0.21 0.00 0.00 0.00 175.10 176.63 1j5c s ASN 33 N -1.58 7.42 -0.00 3.32 2.47 -1.26 -1.63 114.94 123.68 1j5c s ASN 33 Ca 0.34 2.09 -0.01 0.00 0.42 0.00 0.00 52.86 55.70 1j5c s ASN 33 Cb -0.15 -2.61 -0.00 0.00 -1.45 0.00 0.00 41.25 37.03 1j5c s ASN 33 CO 0.18 -0.04 -0.01 -3.20 -3.72 0.00 0.00 177.10 170.30 1j5c n ASN 34 N 1.61 0.11 -2.45 -4.21 5.15 -1.03 -4.67 115.26 109.77 1j5c n ASN 34 Ca -0.01 0.02 -0.00 0.00 -0.60 0.00 0.00 54.58 53.99 1j5c n ASN 34 Cb 0.46 -0.31 0.01 0.00 -0.53 0.00 0.00 39.78 39.42 1j5c n ASN 34 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1j5c n LYS 35 N -2.61 0.26 -2.62 1.20 4.81 -0.96 -4.86 118.16 113.38 1j5c n LYS 35 Ca -0.01 -0.69 -0.00 0.00 -0.87 0.00 0.00 58.31 56.75 1j5c n LYS 35 Cb 0.02 0.98 0.00 0.00 0.02 0.00 0.00 35.03 36.05 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 -5.46 -4.91 3.14 4.32 -1.26 -4.60 117.00 108.22 1j5c n LEU 36 Ca 0.00 -0.05 -0.27 0.00 -0.02 0.00 0.00 56.01 55.68 1j5c n LEU 36 Cb 0.34 -2.67 -0.00 0.00 -1.62 0.00 0.00 43.42 39.46 1j5c n LEU 36 CO 0.11 -0.82 0.40 -0.94 -1.22 0.00 0.00 177.39 174.92 1j5c s SER 37 N -2.72 6.21 1.06 -1.43 1.04 -1.26 -4.49 113.70 112.11 1j5c s SER 37 Ca 0.00 0.82 -0.09 0.00 0.48 0.00 0.00 55.95 57.16 1j5c s SER 37 Cb -0.00 -2.16 0.12 0.00 0.10 0.00 0.00 66.02 64.09 1j5c s SER 37 CO 0.54 -0.57 0.57 -0.81 0.98 0.00 0.00 173.24 173.95 1j5c n PRO 38 N -2.20 -1.29 -3.66 4.02 -0.04 -1.26 -5.12 135.00 125.45 1j5c n PRO 38 Ca -0.00 -0.90 -0.08 0.00 -0.04 0.00 0.00 63.50 62.48 1j5c n PRO 38 Cb 0.55 -0.70 -0.08 0.00 -0.04 0.00 0.00 33.50 33.23 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 -2.16 -0.88 0.00 0.54 3.76 -0.33 -4.94 115.29 111.29 1j5c s HIS 39 Ca 0.34 1.77 0.01 0.00 -0.15 0.00 0.00 55.06 57.03 1j5c s HIS 39 Cb -0.02 0.48 -0.01 0.00 1.11 0.00 0.00 32.58 34.14 1j5c s HIS 39 CO 0.25 -0.46 -0.04 -0.80 -0.85 0.00 0.00 174.74 172.84 1j5c s ASN 40 N 1.71 0.48 -0.72 1.40 0.01 -1.26 0.15 114.94 116.70 1j5c s ASN 40 Ca -0.09 -0.16 0.04 0.00 -0.71 0.00 0.00 52.86 51.94 1j5c s ASN 40 Cb -0.07 -0.03 0.24 0.00 0.41 0.00 0.00 41.25 41.80 1j5c s ASN 40 CO -0.17 -0.01 0.79 -0.38 -1.51 0.00 0.00 177.10 175.83 1j5c n ILE 41 N 2.69 2.64 -2.87 0.60 5.41 -1.23 -3.94 119.36 122.66 1j5c n ILE 41 Ca -0.15 -5.24 -0.40 0.00 1.00 0.00 0.00 62.75 57.96 1j5c n ILE 41 Cb 0.58 -2.13 -0.05 0.00 -0.71 0.00 0.00 39.64 37.33 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 -2.27 4.61 -0.20 1.39 1.01 -1.03 -0.94 120.40 122.97 1j5c s VAL 42 Ca 0.35 1.83 -0.04 0.00 0.00 0.00 0.00 61.98 64.12 1j5c s VAL 42 Cb 0.09 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 1j5c s VAL 42 CO -0.03 0.35 -0.03 -0.36 0.00 0.00 0.00 175.10 175.02 1j5c s PHE 43 N -0.08 2.98 0.57 5.22 0.40 -1.26 -1.33 117.98 124.47 1j5c s PHE 43 Ca 0.42 -0.69 -0.15 0.00 -0.60 0.00 0.00 56.93 55.91 1j5c s PHE 43 Cb -0.22 -2.07 -0.05 0.00 0.51 0.00 0.00 43.02 41.19 1j5c s PHE 43 CO 0.26 -0.37 1.02 0.00 0.70 0.00 0.00 175.22 176.83 1j5c s ALA 44 N 1.14 2.93 -0.94 5.36 0.00 -0.68 -4.59 121.76 124.97 1j5c s ALA 44 Ca 0.02 0.22 -0.02 0.00 0.00 0.00 0.00 51.96 52.18 1j5c s ALA 44 Cb -0.15 -3.16 0.25 0.00 0.00 0.00 0.00 23.12 20.07 1j5c s ALA 44 CO 0.00 -0.55 0.96 0.00 0.00 0.00 0.00 175.76 176.17 1j5c n ALA 45 N -1.96 4.15 -1.01 0.00 0.00 -1.26 -4.51 120.51 115.91 1j5c n ALA 45 Ca 0.07 -4.67 0.00 0.00 0.00 0.00 0.00 53.44 48.85 1j5c n ALA 45 Cb 0.54 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 18.13 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 2.03 0.00 -0.45 0.00 9.92 -1.26 -4.62 116.55 122.16 1j5c n ASP 46 Ca 0.24 0.00 0.06 0.00 -0.53 0.00 0.00 54.79 54.56 1j5c n ASP 46 Cb 0.37 0.00 0.23 0.00 -0.64 0.00 0.00 41.12 41.08 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 2.51 0.11 3.37 0.44 0.00 -1.26 -4.84 105.19 105.52 1j5c n GLY 47 Ca 0.00 -0.30 -0.19 0.00 0.00 0.00 0.00 46.02 45.52 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 1.75 0.82 1.61 1.01 -1.26 -4.89 120.40 117.72 1j5c s VAL 48 Ca 0.23 -2.21 -0.12 0.00 0.00 0.00 0.00 61.98 59.88 1j5c s VAL 48 Cb 0.12 -2.14 0.09 0.00 0.00 0.00 0.00 36.38 34.45 1j5c s VAL 48 CO 0.17 -0.53 1.16 -1.81 0.00 0.00 0.00 175.10 174.09 1j5c s ASP 49 N -3.35 3.62 0.06 3.32 1.01 -1.26 -4.69 116.67 115.37 1j5c s ASP 49 Ca 0.24 2.20 -0.16 0.00 0.71 0.00 0.00 52.55 55.54 1j5c s ASP 49 Cb -0.00 -2.57 -0.20 0.00 1.01 0.00 0.00 42.92 41.16 1j5c s ASP 49 CO 0.08 -2.64 1.21 0.00 0.21 0.00 0.00 175.17 174.04 1j5c h ALA 50 N -1.17 0.18 0.49 5.23 0.00 -1.97 -0.68 119.26 121.35 1j5c h ALA 50 Ca -0.45 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 53.86 1j5c h ALA 50 Cb 1.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1j5c h ALA 50 CO 0.46 0.51 -0.24 -0.44 0.00 0.00 0.00 179.25 179.54 1j5c h ASP 51 N 0.23 -0.56 -0.32 0.00 3.32 -1.98 0.43 116.42 117.54 1j5c h ASP 51 Ca -0.07 -0.04 0.04 0.00 0.02 0.00 0.00 57.03 56.99 1j5c h ASP 51 Cb 1.35 0.14 -0.04 0.00 0.22 0.00 0.00 39.33 41.01 1j5c h ASP 51 CO 0.14 -0.31 0.07 0.74 -1.72 0.00 0.00 179.24 178.17 1j5c h THR 52 N -0.79 0.86 0.00 0.35 2.02 -1.95 0.80 112.91 114.20 1j5c h THR 52 Ca -0.07 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 1j5c h THR 52 Cb 0.56 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1j5c h THR 52 CO 0.11 0.03 -0.11 0.00 0.37 0.00 0.00 175.52 175.93 1j5c h ALA 53 N 1.23 1.64 -0.40 6.16 0.00 -1.02 0.65 119.26 127.51 1j5c h ALA 53 Ca 0.15 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1j5c h ALA 53 Cb 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1j5c h ALA 53 CO -0.19 0.14 -0.10 0.00 0.00 0.00 0.00 179.25 179.10 1j5c h ALA 54 N 1.89 0.56 -0.02 0.00 0.00 0.21 1.47 119.26 123.37 1j5c h ALA 54 Ca -0.00 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 1j5c h ALA 54 Cb 0.22 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1j5c h ALA 54 CO 0.01 0.43 -0.61 -0.22 0.00 0.00 0.00 179.25 178.86 1j5c h LYS 55 N 0.59 0.07 -0.01 0.00 3.64 -0.11 -2.43 116.57 118.33 1j5c h LYS 55 Ca 0.10 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1j5c h LYS 55 Cb 0.63 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1j5c h LYS 55 CO 0.04 0.66 -0.30 1.28 -2.27 0.00 0.00 179.45 178.86 1j5c n LEU 56 N -3.83 0.94 -4.59 5.20 4.77 0.12 -4.79 117.00 114.83 1j5c n LEU 56 Ca -0.02 -0.22 -0.41 0.00 -0.03 0.00 0.00 56.01 55.34 1j5c n LEU 56 Cb 0.61 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 41.48 1j5c n LEU 56 CO 0.43 0.18 0.22 -0.55 -1.33 0.00 0.00 177.39 176.34 1j5c s SER 57 N -2.59 6.36 -0.55 -1.43 0.15 0.50 -4.40 113.70 111.74 1j5c s SER 57 Ca 0.22 0.22 -0.20 0.00 0.70 0.00 0.00 55.95 56.89 1j5c s SER 57 Cb 0.19 -2.27 0.07 0.00 -1.71 0.00 0.00 66.02 62.30 1j5c s SER 57 CO 0.55 -0.38 0.73 -1.00 1.20 0.00 0.00 173.24 174.34 1j5c s HIS 58 N 2.34 2.96 -0.53 3.44 3.76 -0.12 -4.79 115.29 122.35 1j5c s HIS 58 Ca 0.19 -0.57 0.00 0.00 -0.15 0.00 0.00 55.06 54.54 1j5c s HIS 58 Cb -0.15 -3.81 0.48 0.00 1.11 0.00 0.00 32.58 30.20 1j5c s HIS 58 CO 0.11 -1.21 1.96 1.63 -0.85 0.00 0.00 174.74 176.39 1j5c n LYS 59 N 6.56 2.38 -4.23 1.40 4.76 -1.26 -2.94 118.16 124.82 1j5c n LYS 59 Ca -0.06 -2.87 -0.25 0.00 -2.87 0.00 0.00 58.31 52.26 1j5c n LYS 59 Cb 0.45 -2.12 -0.08 0.00 -1.84 0.00 0.00 35.03 31.43 1j5c n LYS 59 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1j5c s GLY 60 N -1.31 2.36 -0.19 0.72 0.00 -1.26 -5.10 107.32 102.54 1j5c s GLY 60 Ca 0.56 -2.14 -0.04 0.00 0.00 0.00 0.00 44.72 43.09 1j5c s GLY 60 CO 0.03 -1.95 -0.02 1.08 0.00 0.00 0.00 173.10 172.24 1j5c s LEU 61 N -3.86 3.15 -0.21 0.66 1.02 -1.26 -4.35 118.68 113.82 1j5c s LEU 61 Ca 0.40 -0.23 -0.03 0.00 0.02 0.00 0.00 54.13 54.29 1j5c s LEU 61 Cb 0.05 -1.79 -0.00 0.00 0.02 0.00 0.00 46.19 44.47 1j5c s LEU 61 CO 0.22 0.08 -0.07 0.00 0.02 0.00 0.00 176.35 176.59 1j5c s ALA 62 N 0.92 2.72 0.00 4.21 0.00 0.39 -4.88 121.76 125.11 1j5c s ALA 62 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.79 1j5c s ALA 62 Cb -0.14 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.37 1j5c s ALA 62 CO 0.01 -0.41 0.00 1.97 0.00 0.00 0.00 175.76 177.33 1j5c n PHE 63 N 4.75 -0.24 -2.31 0.00 -1.74 -1.26 -1.19 117.46 115.47 1j5c n PHE 63 Ca -0.19 0.00 -0.40 0.00 -0.56 0.00 0.00 57.45 56.30 1j5c n PHE 63 Cb 0.51 0.25 -0.03 0.00 1.52 0.00 0.00 39.48 41.73 1j5c n PHE 63 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1j5c s ALA 64 N -1.51 2.59 -0.33 1.98 0.00 -1.26 -4.89 121.76 118.34 1j5c s ALA 64 Ca 0.00 -0.85 -0.36 0.00 0.00 0.00 0.00 51.96 50.75 1j5c s ALA 64 Cb 0.00 -4.21 -0.12 0.00 0.00 0.00 0.00 23.12 18.78 1j5c s ALA 64 CO 0.00 -3.34 2.11 0.00 0.00 0.00 0.00 175.76 174.53 1j5c n ALA 65 N 10.56 0.86 0.00 0.00 0.00 -1.26 -2.42 120.51 128.25 1j5c n ALA 65 Ca 0.12 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1j5c n ALA 65 Cb 0.50 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.47 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 6.18 1.65 3.56 0.00 0.00 -1.26 -5.09 105.19 110.23 1j5c n GLY 66 Ca 0.39 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 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 3.59 0.24 1.61 0.41 -1.02 -5.01 118.70 118.52 1j5c s GLU 67 Ca 0.00 -0.13 0.10 0.00 -0.41 0.00 0.00 54.97 54.53 1j5c s GLU 67 Cb 0.00 -3.83 -0.05 0.00 -1.78 0.00 0.00 34.13 28.47 1j5c s GLU 67 CO 0.00 -0.71 -0.18 -1.12 -0.49 0.00 0.00 175.26 172.76 1j5c s SER 68 N 1.79 3.13 0.43 -0.19 0.01 -1.26 -4.20 113.70 113.41 1j5c s SER 68 Ca 0.21 -1.02 0.06 0.00 1.31 0.00 0.00 55.95 56.51 1j5c s SER 68 Cb -0.15 -0.23 -0.06 0.00 0.21 0.00 0.00 66.02 65.79 1j5c s SER 68 CO 0.14 -0.05 0.07 -0.36 0.41 0.00 0.00 173.24 173.45 1j5c s PHE 69 N -2.69 2.44 0.04 2.43 0.08 -1.12 -4.98 117.98 114.19 1j5c s PHE 69 Ca 0.26 -0.68 -0.08 0.00 0.12 0.00 0.00 56.93 56.55 1j5c s PHE 69 Cb -0.03 -1.82 -0.00 0.00 -0.57 0.00 0.00 43.02 40.60 1j5c s PHE 69 CO 0.11 0.32 0.15 0.99 -0.10 0.00 0.00 175.22 176.69 1j5c s THR 70 N -2.70 0.12 0.34 0.64 2.01 -1.26 -2.03 115.64 112.76 1j5c s THR 70 Ca 0.33 -0.98 0.06 0.00 0.31 0.00 0.00 61.69 61.41 1j5c s THR 70 Cb 0.07 -0.90 -0.03 0.00 0.01 0.00 0.00 72.50 71.66 1j5c s THR 70 CO 0.18 -0.54 0.31 -0.94 -0.69 0.00 0.00 174.62 172.94 1j5c s SER 71 N -2.10 1.64 -0.10 3.53 1.04 -0.99 -4.95 113.70 111.77 1j5c s SER 71 Ca -0.05 -1.74 -0.04 0.00 0.48 0.00 0.00 55.95 54.60 1j5c s SER 71 Cb -0.01 0.58 0.05 0.00 0.10 0.00 0.00 66.02 66.74 1j5c s SER 71 CO -0.04 -1.11 0.20 -0.89 0.98 0.00 0.00 173.24 172.38 1j5c s THR 72 N -3.35 -0.30 -0.63 2.02 2.01 -1.26 -2.20 115.64 111.93 1j5c s THR 72 Ca 0.40 0.32 -0.18 0.00 0.31 0.00 0.00 61.69 62.53 1j5c s THR 72 Cb 0.02 -0.35 0.12 0.00 0.01 0.00 0.00 72.50 72.30 1j5c s THR 72 CO 0.27 0.13 0.72 -0.36 -0.69 0.00 0.00 174.62 174.70 1j5c s PHE 73 N 2.27 3.08 -0.10 4.92 0.40 -0.75 -4.84 117.98 122.95 1j5c s PHE 73 Ca 0.02 -1.10 0.15 0.00 -0.60 0.00 0.00 56.93 55.40 1j5c s PHE 73 Cb -0.12 -4.00 -0.13 0.00 0.51 0.00 0.00 43.02 39.28 1j5c s PHE 73 CO -0.07 -1.27 0.90 1.15 0.70 0.00 0.00 175.22 176.64 1j5c h THR 74 N 5.83 0.66 -3.67 0.64 2.02 -1.90 0.97 112.91 117.46 1j5c h THR 74 Ca -0.23 -2.21 -0.62 0.00 0.77 0.00 0.00 66.41 64.12 1j5c h THR 74 Cb 1.08 2.19 -0.14 0.00 -1.74 0.00 0.00 68.15 69.54 1j5c h THR 74 CO 1.07 0.38 -0.25 -0.70 0.37 0.00 0.00 175.52 176.39 1j5c s GLU 75 N -2.86 4.05 -1.24 6.66 -6.30 -1.26 -4.57 118.70 113.18 1j5c s GLU 75 Ca -0.02 0.05 -0.20 0.00 -2.50 0.00 0.00 54.97 52.29 1j5c s GLU 75 Cb 0.08 -3.62 -0.01 0.00 0.00 0.00 0.00 34.13 30.58 1j5c s GLU 75 CO 0.81 -0.20 1.84 -0.35 0.02 0.00 0.00 175.26 177.38 1j5c n PRO 76 N 5.08 2.41 0.00 4.30 -0.04 -1.26 -4.74 135.00 140.74 1j5c n PRO 76 Ca -0.09 -2.86 0.00 0.00 -0.04 0.00 0.00 63.50 60.51 1j5c n PRO 76 Cb 0.51 -3.60 0.00 0.00 -0.04 0.00 0.00 33.50 30.37 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 5.55 5.63 2.67 0.55 0.00 -1.26 -4.95 105.19 113.38 1j5c n GLY 77 Ca 0.47 -0.87 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 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 2.23 -0.20 0.43 2.61 2.01 -1.26 -2.70 115.64 118.76 1j5c s THR 78 Ca 0.00 -0.23 -0.08 0.00 0.31 0.00 0.00 61.69 61.69 1j5c s THR 78 Cb 0.00 -0.69 -0.05 0.00 0.01 0.00 0.00 72.50 71.77 1j5c s THR 78 CO 0.00 -0.32 0.76 -0.31 -0.69 0.00 0.00 174.62 174.06 1j5c s TYR 79 N 2.23 3.51 0.07 4.92 1.51 -1.23 -4.78 117.35 123.58 1j5c s TYR 79 Ca 0.05 0.90 0.03 0.00 -1.01 0.00 0.00 57.07 57.05 1j5c s TYR 79 Cb -0.16 -2.35 -0.03 0.00 -0.11 0.00 0.00 41.96 39.32 1j5c s TYR 79 CO -0.15 -0.16 -0.10 0.99 -1.11 0.00 0.00 175.55 175.02 1j5c s THR 80 N -2.51 0.82 0.27 -0.71 2.01 -1.26 -2.30 115.64 111.96 1j5c s THR 80 Ca 0.49 -1.35 -0.20 0.00 0.31 0.00 0.00 61.69 60.93 1j5c s THR 80 Cb -0.10 -1.01 0.02 0.00 0.01 0.00 0.00 72.50 71.41 1j5c s THR 80 CO 0.37 -0.42 0.68 -0.72 -0.69 0.00 0.00 174.62 173.85 1j5c s TYR 81 N -1.78 -0.15 0.13 4.92 1.13 -1.22 -1.69 117.35 118.69 1j5c s TYR 81 Ca -0.02 -0.28 -0.14 0.00 -1.41 0.00 0.00 57.07 55.22 1j5c s TYR 81 Cb -0.07 0.64 0.05 0.00 -1.10 0.00 0.00 41.96 41.48 1j5c s TYR 81 CO 0.01 -1.18 0.68 2.48 -2.51 0.00 0.00 175.55 175.02 1j5c n TYR 82 N -0.44 -1.13 -3.38 -3.49 0.18 -0.45 -4.03 117.16 104.42 1j5c n TYR 82 Ca -0.05 -0.87 -0.38 0.00 1.88 0.00 0.00 57.90 58.48 1j5c n TYR 82 Cb 0.60 0.42 -0.06 0.00 -0.38 0.00 0.00 39.34 39.92 1j5c n TYR 82 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1j5c h GLU 84 N 4.87 -0.15 0.21 0.00 4.22 -1.97 -0.52 114.58 121.24 1j5c h GLU 84 Ca -0.50 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 58.94 1j5c h GLU 84 Cb 1.21 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1j5c h GLU 84 CO 0.64 -0.10 -0.10 -1.00 -2.18 0.00 0.00 179.01 176.27 1j5c h PRO 85 N -0.15 -0.27 0.00 0.92 0.13 -1.96 -3.38 132.00 127.29 1j5c h PRO 85 Ca 0.08 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1j5c h PRO 85 Cb 0.27 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.46 1j5c h PRO 85 CO -0.20 -0.18 0.00 0.72 -0.23 0.00 0.00 178.00 178.12 1j5c n HIS 86 N -4.44 0.00 -2.95 1.56 8.25 -1.24 -4.90 115.22 111.52 1j5c n HIS 86 Ca -0.03 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.42 1j5c n HIS 86 Cb 0.11 -0.34 -0.01 0.00 1.12 0.00 0.00 29.99 30.87 1j5c n HIS 86 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1j5c n ARG 87 N -2.38 -2.04 -3.65 -0.41 5.12 -0.20 -3.86 116.66 109.23 1j5c n ARG 87 Ca 0.00 1.85 -0.28 0.00 -1.93 0.00 0.00 57.85 57.50 1j5c n ARG 87 Cb 0.00 -2.93 0.04 0.00 -1.16 0.00 0.00 32.46 28.41 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 1.34 -0.86 2.22 -0.13 0.00 -1.25 -4.90 105.19 101.60 1j5c n GLY 88 Ca -0.05 0.41 -0.03 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 -4.10 3.04 -0.04 4.61 0.00 -1.25 -4.97 120.51 117.80 1j5c n ALA 89 Ca -0.13 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.05 1j5c n ALA 89 Cb 0.61 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.36 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 -0.92 0.54 0.00 0.00 0.00 -1.26 -4.98 105.19 98.57 1j5c n GLY 90 Ca -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1j5c n GLY 90 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1j5c n MET 91 N -0.02 0.00 0.00 1.61 2.00 -1.26 -4.06 117.12 115.39 1j5c n MET 91 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1j5c n MET 91 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.23 1j5c n MET 91 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 175.97 177.52 1j5c n VAL 92 N 0.00 0.00 -0.77 2.03 3.14 -1.26 -3.97 118.33 117.50 1j5c n VAL 92 Ca 0.00 0.00 0.03 0.00 -2.96 0.00 0.00 64.34 61.41 1j5c n VAL 92 Cb 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.76 1j5c n VAL 92 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1j5c n GLY 93 N 0.00 -3.28 3.15 7.55 0.00 -1.26 -4.27 105.19 107.09 1j5c n GLY 93 Ca 0.00 -1.14 -0.10 0.00 0.00 0.00 0.00 46.02 44.78 1j5c n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j5c s LYS 94 N -4.31 0.95 0.34 1.61 1.02 -1.02 -3.38 119.74 114.94 1j5c s LYS 94 Ca 0.00 -1.45 0.09 0.00 0.02 0.00 0.00 55.97 54.63 1j5c s LYS 94 Cb 0.00 0.25 -0.05 0.00 -0.52 0.00 0.00 37.83 37.51 1j5c s LYS 94 CO 0.00 -0.27 0.07 0.08 -0.92 0.00 0.00 175.35 174.31 1j5c s VAL 95 N -4.06 2.81 -0.10 3.17 1.01 -0.97 -3.95 120.40 118.31 1j5c s VAL 95 Ca 0.25 -1.85 -0.04 0.00 0.00 0.00 0.00 61.98 60.34 1j5c s VAL 95 Cb 0.07 -2.87 0.05 0.00 0.00 0.00 0.00 36.38 33.63 1j5c s VAL 95 CO 0.02 -0.20 0.18 -0.69 0.00 0.00 0.00 175.10 174.42 1j5c s VAL 96 N -2.48 -0.29 0.32 2.92 1.01 -1.12 -3.50 120.40 117.26 1j5c s VAL 96 Ca 0.36 0.32 -0.03 0.00 0.00 0.00 0.00 61.98 62.62 1j5c s VAL 96 Cb -0.01 -0.34 -0.05 0.00 0.00 0.00 0.00 36.38 35.98 1j5c s VAL 96 CO 0.21 0.12 0.56 -0.69 0.00 0.00 0.00 175.10 175.30 1j5c s VAL 97 N 2.32 5.04 0.00 2.92 1.01 -1.10 -0.57 120.40 130.02 1j5c s VAL 97 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.93 1j5c s VAL 97 Cb -0.12 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1j5c s VAL 97 CO -0.07 -0.42 0.00 -0.67 0.00 0.00 0.00 175.10 173.95