#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 7.12 0.26 0.00 4.22 -1.26 -4.80 114.94 120.48 1j5c s ASN 2 Ca 0.00 1.70 -0.16 0.00 -2.14 0.00 0.00 52.86 52.26 1j5c s ASN 2 Cb 0.00 -2.53 -0.08 0.00 1.28 0.00 0.00 41.25 39.91 1j5c s ASN 2 CO 0.00 -0.18 0.69 0.00 -2.04 0.00 0.00 177.10 175.57 1j5c s ALA 3 N -1.85 3.41 0.08 3.54 0.00 -1.20 -5.01 121.76 120.73 1j5c s ALA 3 Ca 0.54 0.02 -0.09 0.00 0.00 0.00 0.00 51.96 52.43 1j5c s ALA 3 Cb -0.14 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.27 1j5c s ALA 3 CO 0.19 0.37 0.19 -0.08 0.00 0.00 0.00 175.76 176.43 1j5c s THR 4 N -1.77 0.13 -0.08 0.00 -1.32 -1.26 -2.53 115.64 108.81 1j5c s THR 4 Ca 0.48 -1.10 -0.05 0.00 -1.21 0.00 0.00 61.69 59.80 1j5c s THR 4 Cb -0.13 -1.24 0.03 0.00 -1.51 0.00 0.00 72.50 69.66 1j5c s THR 4 CO 0.19 -0.61 0.20 -0.69 -2.21 0.00 0.00 174.62 171.50 1j5c s VAL 5 N -3.55 -0.02 -0.23 5.08 1.01 -0.31 -4.67 120.40 117.70 1j5c s VAL 5 Ca 0.03 0.08 -0.05 0.00 0.00 0.00 0.00 61.98 62.04 1j5c s VAL 5 Cb 0.03 -0.30 -0.09 0.00 0.00 0.00 0.00 36.38 36.02 1j5c s VAL 5 CO -0.09 0.03 3.17 2.29 0.00 0.00 0.00 175.10 180.50 1j5c n LYS 6 N 3.61 2.19 0.00 2.72 2.85 -1.20 -2.18 118.16 126.16 1j5c n LYS 6 Ca -0.19 -1.68 0.00 0.00 -1.05 0.00 0.00 58.31 55.39 1j5c n LYS 6 Cb 0.55 -2.06 0.00 0.00 -0.65 0.00 0.00 35.03 32.88 1j5c n LYS 6 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1j5c n MET 7 N 1.65 0.00 0.00 -1.58 2.81 -1.05 -4.06 117.12 114.89 1j5c n MET 7 Ca 0.45 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.34 1j5c n MET 7 Cb 0.73 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.24 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 0.00 -1.48 3.05 3.03 0.00 -1.26 -3.67 105.19 104.87 1j5c n GLY 8 Ca 0.00 -1.14 -0.11 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.56 0.67 0.28 1.61 0.01 -0.36 -3.32 113.70 111.03 1j5c s SER 9 Ca 0.00 -0.64 0.11 0.00 1.31 0.00 0.00 55.95 56.74 1j5c s SER 9 Cb 0.00 0.08 0.36 0.00 0.21 0.00 0.00 66.02 66.67 1j5c s SER 9 CO 0.00 -0.30 1.61 -0.78 0.41 0.00 0.00 173.24 174.17 1j5c h ASP 10 N 4.22 0.00 -0.54 2.44 1.82 -1.90 -3.15 116.42 119.31 1j5c h ASP 10 Ca -0.34 0.00 -0.32 0.00 -0.39 0.00 0.00 57.03 55.97 1j5c h ASP 10 Cb 1.19 0.00 -0.12 0.00 0.68 0.00 0.00 39.33 41.08 1j5c h ASP 10 CO 0.46 0.61 0.17 -0.24 -1.61 0.00 0.00 179.24 178.63 1j5c n SER 11 N -3.74 6.06 -4.14 2.28 2.88 -1.26 -4.78 113.62 110.92 1j5c n SER 11 Ca -0.01 -2.91 -0.36 0.00 -1.33 0.00 0.00 58.87 54.26 1j5c n SER 11 Cb 0.62 -1.22 -0.04 0.00 -0.75 0.00 0.00 64.21 62.82 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 1.19 -0.43 3.30 0.46 0.00 -1.19 -4.93 105.19 103.60 1j5c n GLY 12 Ca 0.37 0.23 -0.25 0.00 0.00 0.00 0.00 46.02 46.37 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 -3.98 1.91 -0.15 4.61 0.00 -1.24 -5.00 121.76 117.91 1j5c s ALA 13 Ca 0.22 -1.28 -0.27 0.00 0.00 0.00 0.00 51.96 50.63 1j5c s ALA 13 Cb -0.12 -0.27 -0.25 0.00 0.00 0.00 0.00 23.12 22.48 1j5c s ALA 13 CO 0.92 0.40 0.65 -0.07 0.00 0.00 0.00 175.76 177.65 1j5c h LEU 14 N 4.06 0.03 -8.94 0.00 4.07 -1.91 -0.94 115.31 111.68 1j5c h LEU 14 Ca -0.47 -0.88 -0.65 0.00 0.08 0.00 0.00 57.88 55.96 1j5c h LEU 14 Cb 1.18 -0.01 0.13 0.00 1.08 0.00 0.00 40.66 43.03 1j5c h LEU 14 CO 0.40 1.14 -0.67 1.33 -1.08 0.00 0.00 178.44 179.55 1j5c n VAL 15 N -4.53 1.51 -2.49 1.22 0.24 -1.26 -4.51 118.33 108.51 1j5c n VAL 15 Ca -0.15 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.34 61.24 1j5c n VAL 15 Cb 0.55 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.88 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 -1.23 3.55 -0.05 6.34 0.08 -0.74 -4.10 117.98 121.83 1j5c s PHE 16 Ca 0.62 1.54 -0.02 0.00 0.12 0.00 0.00 56.93 59.20 1j5c s PHE 16 Cb -0.82 -3.31 0.03 0.00 -0.57 0.00 0.00 43.02 38.35 1j5c s PHE 16 CO 0.58 -0.76 0.03 -2.00 -0.10 0.00 0.00 175.22 172.97 1j5c s GLU 17 N -0.18 0.26 0.30 0.44 2.12 -1.21 -0.41 118.70 120.02 1j5c s GLU 17 Ca 0.51 0.24 -0.29 0.00 0.36 0.00 0.00 54.97 55.79 1j5c s GLU 17 Cb -0.30 -0.73 -0.09 0.00 0.26 0.00 0.00 34.13 33.27 1j5c s GLU 17 CO 0.35 -0.31 1.08 -1.25 -0.54 0.00 0.00 175.26 174.58 1j5c s PRO 18 N 2.04 4.59 0.11 4.30 0.04 -1.26 -3.21 135.00 141.61 1j5c s PRO 18 Ca 0.05 1.73 -0.21 0.00 0.04 0.00 0.00 61.00 62.60 1j5c s PRO 18 Cb -0.12 -3.09 -0.08 0.00 0.04 0.00 0.00 34.50 31.24 1j5c s PRO 18 CO -0.04 0.19 1.75 0.66 0.04 0.00 0.00 177.00 179.59 1j5c h SER 19 N 3.64 0.04 -3.43 6.66 4.64 -1.04 -3.42 113.55 120.64 1j5c h SER 19 Ca -0.47 0.01 -0.67 0.00 -0.47 0.00 0.00 61.79 60.19 1j5c h SER 19 Cb 1.21 0.01 -0.15 0.00 -0.31 0.00 0.00 62.40 63.16 1j5c h SER 19 CO 0.66 0.05 -0.65 -0.89 -0.87 0.00 0.00 176.83 175.13 1j5c s THR 20 N -6.19 4.07 -0.06 2.95 2.01 -1.26 -1.36 115.64 115.80 1j5c s THR 20 Ca -0.13 -0.50 -0.05 0.00 0.31 0.00 0.00 61.69 61.32 1j5c s THR 20 Cb 0.08 -2.75 0.02 0.00 0.01 0.00 0.00 72.50 69.86 1j5c s THR 20 CO 0.68 0.48 0.16 0.68 -0.69 0.00 0.00 174.62 175.93 1j5c s VAL 21 N -0.97 -0.01 0.04 3.82 -7.23 -1.24 -5.03 120.40 109.78 1j5c s VAL 21 Ca 0.16 0.03 -0.19 0.00 -1.81 0.00 0.00 61.98 60.17 1j5c s VAL 21 Cb -0.11 -0.23 -0.06 0.00 0.56 0.00 0.00 36.38 36.53 1j5c s VAL 21 CO 0.06 0.01 0.55 0.42 -0.31 0.00 0.00 175.10 175.83 1j5c s THR 22 N 0.27 4.83 0.07 5.32 -4.23 -1.26 -2.92 115.64 117.71 1j5c s THR 22 Ca -0.02 1.15 -0.04 0.00 -1.18 0.00 0.00 61.69 61.61 1j5c s THR 22 Cb -0.03 -3.87 -0.02 0.00 1.34 0.00 0.00 72.50 69.92 1j5c s THR 22 CO -0.01 0.52 0.06 -0.51 -0.54 0.00 0.00 174.62 174.15 1j5c s ILE 23 N -0.86 0.19 0.43 2.99 2.07 -0.94 -4.33 121.20 120.74 1j5c s ILE 23 Ca 0.28 -1.55 0.03 0.00 -1.41 0.00 0.00 60.65 58.00 1j5c s ILE 23 Cb -0.19 -1.46 0.00 0.00 0.13 0.00 0.00 42.46 40.95 1j5c s ILE 23 CO 0.17 -0.84 0.62 -0.54 -1.91 0.00 0.00 174.94 172.44 1j5c s LYS 24 N -3.90 2.97 -1.18 3.50 1.02 -1.26 0.21 119.74 121.10 1j5c s LYS 24 Ca 0.07 -0.75 -0.19 0.00 0.02 0.00 0.00 55.97 55.11 1j5c s LYS 24 Cb 0.07 -2.64 0.08 0.00 -0.52 0.00 0.00 37.83 34.81 1j5c s LYS 24 CO -0.10 -0.25 1.58 0.00 -0.92 0.00 0.00 175.35 175.66 1j5c s ALA 25 N -2.46 3.20 0.00 5.17 0.00 -1.24 -2.69 121.76 123.73 1j5c s ALA 25 Ca 0.49 -2.75 0.00 0.00 0.00 0.00 0.00 51.96 49.71 1j5c s ALA 25 Cb -0.10 -4.52 0.00 0.00 0.00 0.00 0.00 23.12 18.50 1j5c s ALA 25 CO 0.36 -3.33 0.00 0.41 0.00 0.00 0.00 175.76 173.20 1j5c n GLY 26 N 5.75 0.65 3.34 0.00 0.00 0.65 -4.85 105.19 110.73 1j5c n GLY 26 Ca 0.41 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.10 -4.49 1.61 1.02 -1.10 -4.59 120.64 111.00 1j5c n GLU 27 Ca 0.00 -1.72 -0.23 0.00 -0.02 0.00 0.00 57.16 55.19 1j5c n GLU 27 Cb 0.00 -1.37 -0.11 0.00 -0.02 0.00 0.00 31.44 29.94 1j5c n GLU 27 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1j5c s GLU 28 N -5.44 1.72 -0.03 3.49 1.03 -1.26 0.60 118.70 118.81 1j5c s GLU 28 Ca 0.66 -1.96 0.03 0.00 0.03 0.00 0.00 54.97 53.74 1j5c s GLU 28 Cb -0.04 -1.03 0.00 0.00 -0.80 0.00 0.00 34.13 32.26 1j5c s GLU 28 CO 0.49 -0.16 -0.12 0.08 -1.33 0.00 0.00 175.26 174.22 1j5c s VAL 29 N -3.17 0.99 -0.16 1.83 1.01 0.23 -3.26 120.40 117.87 1j5c s VAL 29 Ca 0.36 -0.48 -0.02 0.00 0.00 0.00 0.00 61.98 61.84 1j5c s VAL 29 Cb 0.09 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 1j5c s VAL 29 CO 0.16 0.30 -0.08 -0.75 0.00 0.00 0.00 175.10 174.73 1j5c s LYS 30 N 0.13 3.48 -0.38 2.72 2.36 -1.05 -1.43 119.74 125.56 1j5c s LYS 30 Ca -0.03 -0.62 -0.00 0.00 -2.55 0.00 0.00 55.97 52.77 1j5c s LYS 30 Cb -0.09 -2.81 0.11 0.00 -1.05 0.00 0.00 37.83 33.98 1j5c s LYS 30 CO 0.01 0.12 0.14 -1.58 1.55 0.00 0.00 175.35 175.60 1j5c s TRP 31 N 0.62 3.66 0.16 4.03 0.51 -0.96 -1.16 118.94 125.81 1j5c s TRP 31 Ca -0.05 -2.65 -0.14 0.00 -2.12 0.00 0.00 56.10 51.14 1j5c s TRP 31 Cb -0.15 -3.11 -0.07 0.00 -0.81 0.00 0.00 33.47 29.33 1j5c s TRP 31 CO 0.03 -0.96 0.57 0.54 -0.51 0.00 0.00 176.95 176.61 1j5c s VAL 32 N 1.05 4.84 0.14 4.03 0.11 -0.93 -2.57 120.40 127.08 1j5c s VAL 32 Ca 0.09 0.82 -0.30 0.00 -2.93 0.00 0.00 61.98 59.66 1j5c s VAL 32 Cb -0.21 -3.73 -0.07 0.00 -1.53 0.00 0.00 36.38 30.84 1j5c s VAL 32 CO -0.06 0.20 1.13 0.21 -3.33 0.00 0.00 175.10 173.24 1j5c s ASN 33 N -1.80 7.21 0.02 3.54 3.84 -1.26 -2.51 114.94 123.98 1j5c s ASN 33 Ca 0.40 2.06 -0.02 0.00 0.21 0.00 0.00 52.86 55.51 1j5c s ASN 33 Cb -0.15 -2.60 -0.01 0.00 -0.55 0.00 0.00 41.25 37.95 1j5c s ASN 33 CO 0.19 -0.29 -0.04 -3.20 -2.79 0.00 0.00 177.10 170.97 1j5c n ASN 34 N 2.82 0.74 0.00 -4.21 2.85 -1.26 -4.61 115.26 111.59 1j5c n ASN 34 Ca 0.04 0.10 0.00 0.00 -0.11 0.00 0.00 54.58 54.62 1j5c n ASN 34 Cb 0.46 -0.29 0.00 0.00 1.24 0.00 0.00 39.78 41.19 1j5c n ASN 34 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1j5c n LYS 35 N -3.19 0.00 -3.44 1.20 4.81 -1.26 -4.96 118.16 111.32 1j5c n LYS 35 Ca -0.02 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.29 1j5c n LYS 35 Cb 0.06 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.12 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 -4.28 -4.60 3.14 7.99 -1.26 -4.48 117.00 113.51 1j5c n LEU 36 Ca 0.00 -0.54 -0.26 0.00 -0.01 0.00 0.00 56.01 55.20 1j5c n LEU 36 Cb 0.00 -2.47 -0.10 0.00 -0.11 0.00 0.00 43.42 40.75 1j5c n LEU 36 CO 0.00 -0.33 -0.33 -0.55 -1.51 0.00 0.00 177.39 174.67 1j5c s SER 37 N -3.02 3.97 0.88 -1.43 0.15 -1.26 -4.39 113.70 108.61 1j5c s SER 37 Ca 0.02 -1.13 -0.12 0.00 0.70 0.00 0.00 55.95 55.42 1j5c s SER 37 Cb -0.01 -0.44 0.12 0.00 -1.71 0.00 0.00 66.02 63.99 1j5c s SER 37 CO 0.83 -0.26 1.13 -2.16 1.20 0.00 0.00 173.24 173.97 1j5c s PRO 38 N -3.68 1.37 0.00 5.44 0.04 -1.26 -4.90 135.00 132.01 1j5c s PRO 38 Ca 0.34 0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.76 1j5c s PRO 38 Cb 0.02 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1j5c s PRO 38 CO 0.18 -2.06 0.00 -2.39 0.04 0.00 0.00 177.00 172.78 1j5c n HIS 39 N -3.68 0.00 -3.88 0.56 1.44 -1.26 -4.66 115.22 103.74 1j5c n HIS 39 Ca 0.07 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.78 1j5c n HIS 39 Cb 0.58 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.71 1j5c n HIS 39 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 1j5c n ASN 40 N 0.12 -1.03 -3.63 4.39 0.23 -1.26 -3.64 115.26 110.45 1j5c n ASN 40 Ca 0.00 -1.39 -0.27 0.00 -0.53 0.00 0.00 54.58 52.39 1j5c n ASN 40 Cb 0.00 1.63 -0.10 0.00 -2.08 0.00 0.00 39.78 39.23 1j5c n ASN 40 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1j5c n ILE 41 N -0.60 0.83 -3.02 1.53 -0.00 -1.26 -3.91 119.36 112.94 1j5c n ILE 41 Ca 0.01 -4.49 -0.40 0.00 -0.00 0.00 0.00 62.75 57.87 1j5c n ILE 41 Cb 0.41 -2.02 -0.05 0.00 -0.00 0.00 0.00 39.64 37.99 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 -1.23 5.02 -0.13 1.39 1.01 -1.18 -2.49 120.40 122.79 1j5c s VAL 42 Ca 0.30 1.48 -0.05 0.00 0.00 0.00 0.00 61.98 63.72 1j5c s VAL 42 Cb 0.03 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1j5c s VAL 42 CO -0.15 0.21 0.04 -0.36 0.00 0.00 0.00 175.10 174.85 1j5c s PHE 43 N 1.02 3.24 0.37 5.22 0.40 -1.26 -0.75 117.98 126.22 1j5c s PHE 43 Ca 0.38 0.14 0.07 0.00 -0.60 0.00 0.00 56.93 56.91 1j5c s PHE 43 Cb -0.18 -1.93 -0.00 0.00 0.51 0.00 0.00 43.02 41.42 1j5c s PHE 43 CO 0.17 0.33 0.52 0.00 0.70 0.00 0.00 175.22 176.95 1j5c s ALA 44 N -0.31 4.31 -1.16 5.36 0.00 -0.99 -4.56 121.76 124.41 1j5c s ALA 44 Ca 0.08 -1.51 -0.08 0.00 0.00 0.00 0.00 51.96 50.45 1j5c s ALA 44 Cb -0.12 -1.69 0.24 0.00 0.00 0.00 0.00 23.12 21.55 1j5c s ALA 44 CO 0.02 -0.15 1.52 0.00 0.00 0.00 0.00 175.76 177.15 1j5c n ALA 45 N -1.75 4.89 -3.43 0.00 0.00 -1.26 -4.68 120.51 114.27 1j5c n ALA 45 Ca 0.03 -4.57 -0.44 0.00 0.00 0.00 0.00 53.44 48.46 1j5c n ALA 45 Cb 0.58 -2.65 -0.04 0.00 0.00 0.00 0.00 19.45 17.35 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 0.16 6.43 0.00 0.00 1.11 -1.26 -4.50 116.67 118.61 1j5c s ASP 46 Ca 0.35 -2.87 0.00 0.00 0.18 0.00 0.00 52.55 50.21 1j5c s ASP 46 Cb 0.02 -2.12 0.00 0.00 1.07 0.00 0.00 42.92 41.90 1j5c s ASP 46 CO 0.03 -0.48 0.00 0.61 1.18 0.00 0.00 175.17 176.51 1j5c n GLY 47 N 3.65 2.86 3.94 0.21 0.00 -1.26 -4.93 105.19 109.66 1j5c n GLY 47 Ca 0.14 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.04 2.88 0.90 1.61 1.01 -1.26 -5.06 120.40 118.43 1j5c s VAL 48 Ca 0.00 -0.30 -0.11 0.00 0.00 0.00 0.00 61.98 61.57 1j5c s VAL 48 Cb 0.00 -3.16 0.14 0.00 0.00 0.00 0.00 36.38 33.35 1j5c s VAL 48 CO 0.00 -0.15 1.10 -1.81 0.00 0.00 0.00 175.10 174.23 1j5c s ASP 49 N -4.42 3.26 -0.03 3.32 1.01 -1.26 -4.79 116.67 113.76 1j5c s ASP 49 Ca 0.57 1.76 -0.13 0.00 0.71 0.00 0.00 52.55 55.46 1j5c s ASP 49 Cb -0.11 -2.38 -0.07 0.00 1.01 0.00 0.00 42.92 41.37 1j5c s ASP 49 CO 0.43 -2.82 0.62 0.00 0.21 0.00 0.00 175.17 173.61 1j5c h ALA 50 N -1.67 -0.54 -0.68 5.23 0.00 -1.97 -1.83 119.26 117.79 1j5c h ALA 50 Ca -0.48 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 54.47 1j5c h ALA 50 Cb 1.27 0.19 -0.11 0.00 0.00 0.00 0.00 17.79 19.14 1j5c h ALA 50 CO 0.50 -0.51 0.09 -0.44 0.00 0.00 0.00 179.25 178.88 1j5c h ASP 51 N -0.99 -0.14 0.15 0.00 5.19 -1.98 0.31 116.42 118.97 1j5c h ASP 51 Ca -0.05 0.15 -0.00 0.00 -0.62 0.00 0.00 57.03 56.51 1j5c h ASP 51 Cb 0.37 0.24 -0.01 0.00 0.18 0.00 0.00 39.33 40.11 1j5c h ASP 51 CO 0.08 -0.08 -0.21 0.74 -3.12 0.00 0.00 179.24 176.65 1j5c h THR 52 N 0.19 0.00 -0.50 0.35 2.02 -1.95 0.17 112.91 113.19 1j5c h THR 52 Ca 0.37 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.69 1j5c h THR 52 Cb 0.62 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 1j5c h THR 52 CO -0.52 0.00 0.55 0.00 0.37 0.00 0.00 175.52 175.92 1j5c h ALA 53 N -1.32 2.23 0.11 6.16 0.00 -0.71 0.31 119.26 126.03 1j5c h ALA 53 Ca -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1j5c h ALA 53 Cb 0.34 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1j5c h ALA 53 CO -0.05 -0.81 -0.05 0.00 0.00 0.00 0.00 179.25 178.34 1j5c h ALA 54 N 1.36 -0.15 -0.20 0.00 0.00 0.15 1.00 119.26 121.43 1j5c h ALA 54 Ca 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1j5c h ALA 54 Cb 1.33 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1j5c h ALA 54 CO -0.00 -0.45 0.09 -0.22 0.00 0.00 0.00 179.25 178.67 1j5c h LYS 55 N -0.41 0.29 0.00 0.00 1.63 0.12 -1.23 116.57 116.97 1j5c h LYS 55 Ca -0.01 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1j5c h LYS 55 Cb 0.34 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1j5c h LYS 55 CO 0.02 0.34 0.00 -0.07 -3.45 0.00 0.00 179.45 176.29 1j5c h LEU 56 N 0.18 0.00 -9.49 5.20 4.07 -1.03 -3.42 115.31 110.81 1j5c h LEU 56 Ca 0.07 0.00 -0.54 0.00 0.08 0.00 0.00 57.88 57.49 1j5c h LEU 56 Cb 0.15 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.86 1j5c h LEU 56 CO -0.01 0.00 0.26 -0.55 -1.08 0.00 0.00 178.44 177.07 1j5c s SER 57 N -4.92 7.31 -0.46 -0.43 0.15 0.35 -4.48 113.70 111.22 1j5c s SER 57 Ca 0.02 1.57 -0.09 0.00 0.70 0.00 0.00 55.95 58.15 1j5c s SER 57 Cb 0.09 -2.52 0.12 0.00 -1.71 0.00 0.00 66.02 62.00 1j5c s SER 57 CO 0.44 -0.09 0.33 -1.00 1.20 0.00 0.00 173.24 174.12 1j5c s HIS 58 N 0.33 3.44 -0.35 3.44 3.76 -1.04 -4.84 115.29 120.03 1j5c s HIS 58 Ca 0.44 -1.90 0.08 0.00 -0.15 0.00 0.00 55.06 53.53 1j5c s HIS 58 Cb -0.21 -3.46 0.60 0.00 1.11 0.00 0.00 32.58 30.62 1j5c s HIS 58 CO 0.26 -0.99 1.67 1.63 -0.85 0.00 0.00 174.74 176.46 1j5c n LYS 59 N 4.88 2.28 -0.10 1.40 5.02 -1.26 -4.02 118.16 126.36 1j5c n LYS 59 Ca -0.08 -3.09 -0.11 0.00 -2.02 0.00 0.00 58.31 53.01 1j5c n LYS 59 Cb 0.41 -2.00 -0.15 0.00 -0.02 0.00 0.00 35.03 33.26 1j5c n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j5c n GLY 60 N -0.99 -0.90 0.88 0.72 0.00 -1.26 -5.11 105.19 98.54 1j5c n GLY 60 Ca 0.43 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1j5c n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j5c n LEU 61 N -2.83 -1.57 -4.50 0.99 4.77 -1.26 -5.05 117.00 107.55 1j5c n LEU 61 Ca -0.35 1.69 -0.24 0.00 -0.03 0.00 0.00 56.01 57.08 1j5c n LEU 61 Cb 1.13 -1.24 -0.11 0.00 -2.33 0.00 0.00 43.42 40.88 1j5c n LEU 61 CO 0.40 0.13 -0.32 0.00 -1.33 0.00 0.00 177.39 176.28 1j5c s ALA 62 N -3.14 2.63 0.05 -1.18 0.00 -1.24 -5.04 121.76 113.85 1j5c s ALA 62 Ca 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 51.96 49.88 1j5c s ALA 62 Cb 0.00 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.43 1j5c s ALA 62 CO 0.00 -0.15 0.00 1.19 0.00 0.00 0.00 175.76 176.80 1j5c n PHE 63 N -0.74 -2.67 -2.48 0.00 3.01 -1.26 -4.41 117.46 108.91 1j5c n PHE 63 Ca -0.04 0.18 -0.42 0.00 1.01 0.00 0.00 57.45 58.17 1j5c n PHE 63 Cb 0.65 0.87 -0.03 0.00 -0.01 0.00 0.00 39.48 40.96 1j5c n PHE 63 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1j5c s ALA 64 N -2.00 3.34 -0.74 4.37 0.00 -1.26 -4.93 121.76 120.55 1j5c s ALA 64 Ca 0.00 0.79 -0.26 0.00 0.00 0.00 0.00 51.96 52.49 1j5c s ALA 64 Cb 0.00 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 1j5c s ALA 64 CO 0.00 -0.39 1.94 0.00 0.00 0.00 0.00 175.76 177.31 1j5c s ALA 65 N 1.01 1.87 0.00 0.00 0.00 -1.26 -2.73 121.76 120.66 1j5c s ALA 65 Ca 0.57 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1j5c s ALA 65 Cb -0.28 -4.43 0.00 0.00 0.00 0.00 0.00 23.12 18.42 1j5c s ALA 65 CO 0.29 -4.39 0.00 0.41 0.00 0.00 0.00 175.76 172.07 1j5c n GLY 66 N 6.25 1.70 3.55 0.00 0.00 -1.26 -5.04 105.19 110.40 1j5c n GLY 66 Ca 0.31 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 2.95 0.19 1.61 8.01 -1.10 -4.89 118.70 125.46 1j5c s GLU 67 Ca 0.00 0.24 0.07 0.00 0.01 0.00 0.00 54.97 55.29 1j5c s GLU 67 Cb 0.00 -4.27 -0.04 0.00 -4.31 0.00 0.00 34.13 25.51 1j5c s GLU 67 CO 0.00 -2.38 0.03 -1.54 0.01 0.00 0.00 175.26 171.38 1j5c s SER 68 N 5.80 4.90 0.45 -0.19 1.04 -1.26 -4.39 113.70 120.06 1j5c s SER 68 Ca 0.52 -0.38 0.06 0.00 0.48 0.00 0.00 55.95 56.63 1j5c s SER 68 Cb -0.11 -1.08 -0.02 0.00 0.10 0.00 0.00 66.02 64.91 1j5c s SER 68 CO 0.19 0.07 0.24 -0.36 0.98 0.00 0.00 173.24 174.36 1j5c s PHE 69 N -1.84 2.32 -0.01 5.02 0.08 -1.06 -4.97 117.98 117.52 1j5c s PHE 69 Ca 0.29 -0.67 -0.08 0.00 0.12 0.00 0.00 56.93 56.59 1j5c s PHE 69 Cb -0.09 -1.94 0.01 0.00 -0.57 0.00 0.00 43.02 40.42 1j5c s PHE 69 CO 0.20 -0.01 0.15 0.99 -0.10 0.00 0.00 175.22 176.46 1j5c s THR 70 N -2.65 0.07 -0.04 0.64 2.01 -1.26 -2.27 115.64 112.13 1j5c s THR 70 Ca 0.37 -0.55 -0.07 0.00 0.31 0.00 0.00 61.69 61.75 1j5c s THR 70 Cb 0.01 -0.41 0.01 0.00 0.01 0.00 0.00 72.50 72.13 1j5c s THR 70 CO 0.21 -0.30 0.17 -0.94 -0.69 0.00 0.00 174.62 173.07 1j5c s SER 71 N -1.11 -0.12 -0.19 3.53 1.04 -0.51 -4.95 113.70 111.38 1j5c s SER 71 Ca -0.12 0.18 -0.09 0.00 0.48 0.00 0.00 55.95 56.39 1j5c s SER 71 Cb -0.06 0.32 -0.05 0.00 0.10 0.00 0.00 66.02 66.33 1j5c s SER 71 CO 0.01 -0.17 0.12 -0.89 0.98 0.00 0.00 173.24 173.29 1j5c s THR 72 N -0.42 5.31 -0.56 2.02 2.01 -1.26 0.76 115.64 123.50 1j5c s THR 72 Ca -0.05 0.15 -0.14 0.00 0.31 0.00 0.00 61.69 61.96 1j5c s THR 72 Cb -0.03 -3.42 0.14 0.00 0.01 0.00 0.00 72.50 69.20 1j5c s THR 72 CO 0.01 0.45 0.50 -0.36 -0.69 0.00 0.00 174.62 174.52 1j5c s PHE 73 N 0.32 3.36 -0.23 4.92 0.40 0.20 -4.87 117.98 122.08 1j5c s PHE 73 Ca 0.07 -1.55 -0.15 0.00 -0.60 0.00 0.00 56.93 54.70 1j5c s PHE 73 Cb -0.11 -3.72 -0.17 0.00 0.51 0.00 0.00 43.02 39.53 1j5c s PHE 73 CO -0.02 -1.01 -0.04 2.41 0.70 0.00 0.00 175.22 177.27 1j5c n THR 74 N 4.96 1.55 -2.26 0.64 -1.04 -1.26 0.24 114.28 117.11 1j5c n THR 74 Ca -0.08 -0.28 -0.43 0.00 -2.04 0.00 0.00 64.05 61.22 1j5c n THR 74 Cb 0.41 -1.90 -0.02 0.00 -1.82 0.00 0.00 70.33 67.00 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 -2.45 4.12 -1.13 -2.82 2.12 -1.26 -4.41 118.70 112.87 1j5c s GLU 75 Ca -0.33 1.78 -0.15 0.00 0.36 0.00 0.00 54.97 56.62 1j5c s GLU 75 Cb 0.10 -3.88 -0.07 0.00 0.26 0.00 0.00 34.13 30.54 1j5c s GLU 75 CO 0.57 -0.87 2.19 -0.35 -0.54 0.00 0.00 175.26 176.25 1j5c n PRO 76 N 6.98 2.32 0.00 4.30 -0.04 -1.26 -4.73 135.00 142.58 1j5c n PRO 76 Ca 0.16 -2.09 0.00 0.00 -0.04 0.00 0.00 63.50 61.53 1j5c n PRO 76 Cb 0.44 -2.96 0.00 0.00 -0.04 0.00 0.00 33.50 30.95 1j5c n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j5c n GLY 77 N 4.15 5.37 2.88 0.55 0.00 -1.26 -4.86 105.19 112.02 1j5c n GLY 77 Ca 0.53 -1.32 -0.21 0.00 0.00 0.00 0.00 46.02 45.02 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 1.98 0.57 0.15 2.61 2.01 -1.26 0.02 115.64 121.71 1j5c s THR 78 Ca 0.00 -0.11 0.06 0.00 0.31 0.00 0.00 61.69 61.95 1j5c s THR 78 Cb 0.00 -0.61 -0.04 0.00 0.01 0.00 0.00 72.50 71.86 1j5c s THR 78 CO 0.00 0.25 0.06 -0.31 -0.69 0.00 0.00 174.62 173.93 1j5c s TYR 79 N 1.14 3.02 -0.01 4.92 1.51 -1.03 -4.85 117.35 122.05 1j5c s TYR 79 Ca -0.07 -0.05 0.02 0.00 -1.01 0.00 0.00 57.07 55.95 1j5c s TYR 79 Cb -0.14 -1.48 -0.00 0.00 -0.11 0.00 0.00 41.96 40.23 1j5c s TYR 79 CO -0.01 0.51 -0.05 0.99 -1.11 0.00 0.00 175.55 175.88 1j5c s THR 80 N -1.66 0.44 0.21 -0.71 2.01 -1.26 -2.26 115.64 112.41 1j5c s THR 80 Ca 0.29 -0.23 -0.02 0.00 0.31 0.00 0.00 61.69 62.03 1j5c s THR 80 Cb -0.10 -0.37 -0.03 0.00 0.01 0.00 0.00 72.50 72.00 1j5c s THR 80 CO 0.21 0.13 0.18 -0.72 -0.69 0.00 0.00 174.62 173.73 1j5c s TYR 81 N -0.10 1.07 -0.24 4.92 -0.85 -1.26 -2.33 117.35 118.56 1j5c s TYR 81 Ca 0.02 -1.30 -0.37 0.00 -0.52 0.00 0.00 57.07 54.90 1j5c s TYR 81 Cb -0.03 -0.46 0.15 0.00 0.38 0.00 0.00 41.96 42.01 1j5c s TYR 81 CO -0.00 -0.70 1.31 1.52 -1.52 0.00 0.00 175.55 176.16 1j5c s TYR 82 N -4.11 -0.06 0.24 -3.49 1.13 0.07 -4.84 117.35 106.28 1j5c s TYR 82 Ca 0.37 0.03 0.10 0.00 -1.41 0.00 0.00 57.07 56.17 1j5c s TYR 82 Cb 0.06 0.51 -0.05 0.00 -1.10 0.00 0.00 41.96 41.38 1j5c s TYR 82 CO 0.12 -0.10 -0.19 0.00 -2.51 0.00 0.00 175.55 172.87 1j5c n GLU 84 N -0.35 -0.33 -0.98 0.00 -0.58 -1.26 -4.65 120.64 112.50 1j5c n GLU 84 Ca -0.08 -0.09 -0.29 0.00 -0.42 0.00 0.00 57.16 56.29 1j5c n GLU 84 Cb 0.59 -1.20 -0.02 0.00 -0.57 0.00 0.00 31.44 30.24 1j5c n GLU 84 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1j5c n PRO 85 N 1.30 2.76 0.00 3.49 -0.04 -1.24 -4.78 135.00 136.49 1j5c n PRO 85 Ca -0.01 -1.76 0.00 0.00 -0.04 0.00 0.00 63.50 61.69 1j5c n PRO 85 Cb 0.67 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 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 3.91 0.00 -0.01 0.54 1.44 -1.26 -4.62 115.22 115.22 1j5c n HIS 86 Ca 0.59 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 56.29 1j5c n HIS 86 Cb 0.18 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.29 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 -0.10 0.06 0.00 -1.40 0.00 -1.26 -4.93 116.66 109.03 1j5c n ARG 87 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.85 57.87 1j5c n ARG 87 Cb 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 32.46 31.87 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 1.58 -1.36 2.09 5.14 0.00 -1.26 -5.01 105.19 106.37 1j5c n GLY 88 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 -2.91 4.61 0.00 -1.26 -5.00 120.51 112.94 1j5c n ALA 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1j5c n ALA 89 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 2.64 0.00 0.00 0.00 -1.26 -3.61 105.19 101.47 1j5c n GLY 90 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 0.00 -2.11 1.61 1.56 -1.26 -4.79 117.12 112.12 1j5c n MET 91 Ca 0.00 0.00 -0.41 0.00 -0.27 0.00 0.00 57.70 57.02 1j5c n MET 91 Cb 0.00 0.00 -0.02 0.00 2.15 0.00 0.00 33.22 35.35 1j5c n MET 91 CO 0.00 0.00 0.00 0.14 -0.73 0.00 0.00 175.97 175.38 1j5c s VAL 92 N 0.00 2.86 0.00 1.12 -7.23 -1.26 -4.81 120.40 111.08 1j5c s VAL 92 Ca 0.00 0.76 0.00 0.00 -1.81 0.00 0.00 61.98 60.93 1j5c s VAL 92 Cb 0.00 -3.48 0.00 0.00 0.56 0.00 0.00 36.38 33.46 1j5c s VAL 92 CO 0.00 0.14 0.00 0.61 -0.31 0.00 0.00 175.10 175.54 1j5c n GLY 93 N 1.83 3.22 3.34 2.32 0.00 -1.26 -1.78 105.19 112.85 1j5c n GLY 93 Ca 0.04 -0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.77 1.68 0.13 1.61 -2.85 -0.47 -4.35 119.74 113.72 1j5c s LYS 94 Ca 0.00 -1.98 0.07 0.00 -1.00 0.00 0.00 55.97 53.07 1j5c s LYS 94 Cb 0.00 0.01 -0.04 0.00 -2.06 0.00 0.00 37.83 35.74 1j5c s LYS 94 CO 0.00 -0.53 -0.18 0.08 0.10 0.00 0.00 175.35 174.83 1j5c s VAL 95 N -3.52 1.60 -0.16 1.79 1.01 -0.96 -3.68 120.40 116.48 1j5c s VAL 95 Ca 0.36 -1.71 -0.02 0.00 0.00 0.00 0.00 61.98 60.61 1j5c s VAL 95 Cb 0.04 -1.62 0.05 0.00 0.00 0.00 0.00 36.38 34.85 1j5c s VAL 95 CO 0.20 -0.26 0.01 -0.69 0.00 0.00 0.00 175.10 174.36 1j5c s VAL 96 N -1.76 0.57 0.57 2.92 1.01 -1.15 -2.48 120.40 120.08 1j5c s VAL 96 Ca 0.10 -0.38 -0.16 0.00 0.00 0.00 0.00 61.98 61.53 1j5c s VAL 96 Cb -0.07 -0.93 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 1j5c s VAL 96 CO 0.05 -0.03 1.04 -0.69 0.00 0.00 0.00 175.10 175.46 1j5c s VAL 97 N 1.86 4.01 0.00 2.92 1.01 0.10 -2.21 120.40 128.08 1j5c s VAL 97 Ca 0.01 0.97 0.00 0.00 0.00 0.00 0.00 61.98 62.96 1j5c s VAL 97 Cb -0.15 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1j5c s VAL 97 CO -0.07 -0.54 0.00 -0.67 0.00 0.00 0.00 175.10 173.81