#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 7.27 -0.00 0.00 2.20 -1.26 -3.52 114.94 119.62 1j5c s ASN 2 Ca 0.00 2.03 -0.03 0.00 -0.94 0.00 0.00 52.86 53.92 1j5c s ASN 2 Cb 0.00 -2.60 -0.00 0.00 -2.00 0.00 0.00 41.25 36.64 1j5c s ASN 2 CO 0.00 -0.13 0.05 0.00 -2.94 0.00 0.00 177.10 174.09 1j5c s ALA 3 N -1.39 -0.11 0.01 3.54 0.00 -1.25 -4.94 121.76 117.62 1j5c s ALA 3 Ca 0.48 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.25 1j5c s ALA 3 Cb -0.25 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 1j5c s ALA 3 CO 0.31 -0.13 -0.02 -0.08 0.00 0.00 0.00 175.76 175.84 1j5c s THR 4 N -0.95 0.11 0.25 0.00 -1.32 -1.26 -2.41 115.64 110.06 1j5c s THR 4 Ca -0.10 -0.38 0.07 0.00 -1.21 0.00 0.00 61.69 60.07 1j5c s THR 4 Cb -0.06 -0.16 -0.05 0.00 -1.51 0.00 0.00 72.50 70.71 1j5c s THR 4 CO 0.00 -0.17 -0.10 -0.69 -2.21 0.00 0.00 174.62 171.45 1j5c s VAL 5 N -0.56 1.75 -0.26 5.08 1.01 0.07 -4.71 120.40 122.78 1j5c s VAL 5 Ca -0.06 -2.18 -0.05 0.00 0.00 0.00 0.00 61.98 59.70 1j5c s VAL 5 Cb -0.04 -2.30 0.01 0.00 0.00 0.00 0.00 36.38 34.05 1j5c s VAL 5 CO -0.00 -0.41 0.01 -1.59 0.00 0.00 0.00 175.10 173.11 1j5c s LYS 6 N -3.68 3.13 0.09 2.72 -2.85 -1.22 -2.37 119.74 115.56 1j5c s LYS 6 Ca 0.27 -0.81 -0.17 0.00 -1.00 0.00 0.00 55.97 54.27 1j5c s LYS 6 Cb 0.01 -3.18 -0.04 0.00 -2.06 0.00 0.00 37.83 32.57 1j5c s LYS 6 CO 0.10 -0.36 1.12 -1.33 0.10 0.00 0.00 175.35 174.98 1j5c n MET 7 N 4.80 -0.23 -4.12 1.78 2.81 -0.50 -4.43 117.12 117.23 1j5c n MET 7 Ca -0.16 1.10 -0.23 0.00 -1.81 0.00 0.00 57.70 56.60 1j5c n MET 7 Cb 0.49 -1.63 -0.05 0.00 -0.71 0.00 0.00 33.22 31.32 1j5c n MET 7 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1j5c s GLY 8 N -2.02 1.49 0.74 3.03 0.00 -1.26 -4.72 107.32 104.58 1j5c s GLY 8 Ca -0.06 -1.39 -0.12 0.00 0.00 0.00 0.00 44.72 43.15 1j5c s GLY 8 CO 0.33 -1.43 1.11 -0.45 0.00 0.00 0.00 173.10 172.66 1j5c s SER 9 N -3.67 5.10 0.27 1.64 0.15 -1.21 -4.50 113.70 111.48 1j5c s SER 9 Ca 0.32 1.12 -0.09 0.00 0.70 0.00 0.00 55.95 58.00 1j5c s SER 9 Cb -0.08 -1.86 0.42 0.00 -1.71 0.00 0.00 66.02 62.78 1j5c s SER 9 CO 0.24 -1.56 1.53 -0.67 1.20 0.00 0.00 173.24 173.98 1j5c n ASP 10 N -3.14 -0.40 -2.62 5.45 2.03 -1.26 0.18 116.55 116.78 1j5c n ASP 10 Ca 0.07 1.69 -0.37 0.00 0.52 0.00 0.00 54.79 56.70 1j5c n ASP 10 Cb 0.57 -0.49 0.06 0.00 -0.72 0.00 0.00 41.12 40.54 1j5c n ASP 10 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1j5c n SER 11 N -5.57 7.51 -4.01 1.67 7.64 -1.26 -4.89 113.62 114.71 1j5c n SER 11 Ca 0.15 -3.81 -0.41 0.00 1.01 0.00 0.00 58.87 55.81 1j5c n SER 11 Cb 0.47 -1.00 0.02 0.00 -1.01 0.00 0.00 64.21 62.69 1j5c n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j5c n GLY 12 N -0.72 -0.87 3.99 0.23 0.00 0.47 -4.93 105.19 103.36 1j5c n GLY 12 Ca 0.58 0.36 -0.20 0.00 0.00 0.00 0.00 46.02 46.76 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 -3.48 4.15 1.02 4.61 0.00 -1.25 -4.75 121.76 122.07 1j5c s ALA 13 Ca 0.38 -1.44 -0.04 0.00 0.00 0.00 0.00 51.96 50.85 1j5c s ALA 13 Cb -0.21 -1.88 0.06 0.00 0.00 0.00 0.00 23.12 21.08 1j5c s ALA 13 CO 0.90 -0.48 0.26 1.28 0.00 0.00 0.00 175.76 177.72 1j5c n LEU 14 N -2.08 0.00 0.00 0.00 7.99 -1.26 -3.36 117.00 118.29 1j5c n LEU 14 Ca 0.07 -0.28 0.10 0.00 -0.01 0.00 0.00 56.01 55.89 1j5c n LEU 14 Cb 0.59 -0.21 -0.03 0.00 -0.11 0.00 0.00 43.42 43.66 1j5c n LEU 14 CO 0.43 -0.95 -0.14 1.33 -1.51 0.00 0.00 177.39 176.55 1j5c n VAL 15 N -2.67 0.00 -4.20 4.08 0.24 -1.26 -4.71 118.33 109.80 1j5c n VAL 15 Ca 0.03 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.16 1j5c n VAL 15 Cb 0.12 -0.25 -0.11 0.00 -1.47 0.00 0.00 33.84 32.13 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 -1.62 1.27 -0.01 6.34 0.40 -1.05 -4.69 117.98 118.62 1j5c s PHE 16 Ca 0.00 -0.52 0.01 0.00 -0.60 0.00 0.00 56.93 55.82 1j5c s PHE 16 Cb 0.00 -0.69 0.01 0.00 0.51 0.00 0.00 43.02 42.84 1j5c s PHE 16 CO 0.00 0.08 -0.02 -1.21 0.70 0.00 0.00 175.22 174.78 1j5c s GLU 17 N -2.21 0.23 0.24 0.44 2.02 -1.26 -2.22 118.70 115.93 1j5c s GLU 17 Ca 0.03 -0.04 -0.30 0.00 0.02 0.00 0.00 54.97 54.68 1j5c s GLU 17 Cb -0.07 -0.28 -0.09 0.00 0.10 0.00 0.00 34.13 33.79 1j5c s GLU 17 CO 0.02 0.00 1.09 -1.25 0.02 0.00 0.00 175.26 175.15 1j5c s PRO 18 N 0.24 4.64 0.19 0.39 0.04 -1.26 -3.45 135.00 135.78 1j5c s PRO 18 Ca -0.02 1.76 -0.10 0.00 0.04 0.00 0.00 61.00 62.68 1j5c s PRO 18 Cb -0.05 -3.22 0.26 0.00 0.04 0.00 0.00 34.50 31.53 1j5c s PRO 18 CO -0.01 0.18 1.17 0.43 0.04 0.00 0.00 177.00 178.82 1j5c n SER 19 N 1.62 -0.38 -4.27 6.66 7.64 -0.94 -4.31 113.62 119.63 1j5c n SER 19 Ca 0.00 1.30 -0.24 0.00 1.01 0.00 0.00 58.87 60.95 1j5c n SER 19 Cb 0.45 -0.35 -0.13 0.00 -1.01 0.00 0.00 64.21 63.18 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 -5.83 1.66 0.18 0.44 2.01 -1.26 -2.44 115.64 110.40 1j5c s THR 20 Ca -0.11 -1.46 0.02 0.00 0.31 0.00 0.00 61.69 60.45 1j5c s THR 20 Cb 0.18 -1.50 -0.05 0.00 0.01 0.00 0.00 72.50 71.14 1j5c s THR 20 CO 0.56 -0.02 0.00 0.68 -0.69 0.00 0.00 174.62 175.15 1j5c s VAL 21 N -1.10 0.71 -0.12 3.82 -7.23 -1.22 -5.04 120.40 110.22 1j5c s VAL 21 Ca 0.06 -1.99 -0.07 0.00 -1.81 0.00 0.00 61.98 58.17 1j5c s VAL 21 Cb -0.10 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 34.64 1j5c s VAL 21 CO 0.04 -0.44 0.13 0.42 -0.31 0.00 0.00 175.10 174.93 1j5c s THR 22 N -3.64 5.42 0.02 5.32 -4.23 -1.26 -2.86 115.64 114.41 1j5c s THR 22 Ca 0.25 0.18 -0.06 0.00 -1.18 0.00 0.00 61.69 60.88 1j5c s THR 22 Cb 0.06 -3.36 -0.01 0.00 1.34 0.00 0.00 72.50 70.53 1j5c s THR 22 CO 0.05 0.61 0.10 -0.51 -0.54 0.00 0.00 174.62 174.33 1j5c s ILE 23 N -0.92 0.11 0.32 2.99 -1.16 0.55 -4.00 121.20 119.08 1j5c s ILE 23 Ca 0.14 -0.88 0.08 0.00 -0.51 0.00 0.00 60.65 59.49 1j5c s ILE 23 Cb -0.12 -0.60 -0.04 0.00 0.61 0.00 0.00 42.46 42.31 1j5c s ILE 23 CO 0.03 -0.48 0.18 -0.54 -2.81 0.00 0.00 174.94 171.33 1j5c s LYS 24 N -1.90 2.55 -1.06 3.50 -0.14 -1.23 -0.20 119.74 121.26 1j5c s LYS 24 Ca -0.11 -1.39 -0.22 0.00 -1.36 0.00 0.00 55.97 52.89 1j5c s LYS 24 Cb -0.05 -2.32 0.03 0.00 -1.68 0.00 0.00 37.83 33.80 1j5c s LYS 24 CO -0.01 0.17 1.63 0.00 -0.76 0.00 0.00 175.35 176.37 1j5c s ALA 25 N -2.34 2.58 0.00 5.17 0.00 -1.26 -2.56 121.76 123.35 1j5c s ALA 25 Ca 0.38 -2.24 0.00 0.00 0.00 0.00 0.00 51.96 50.09 1j5c s ALA 25 Cb -0.05 -4.57 0.00 0.00 0.00 0.00 0.00 23.12 18.51 1j5c s ALA 25 CO 0.24 -3.88 0.00 0.41 0.00 0.00 0.00 175.76 172.53 1j5c n GLY 26 N 6.53 1.17 3.72 0.00 0.00 0.20 -4.84 105.19 111.97 1j5c n GLY 26 Ca 0.38 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.47 -4.37 1.61 4.71 -1.06 -4.62 120.64 115.44 1j5c n GLU 27 Ca 0.00 -1.97 -0.21 0.00 -0.01 0.00 0.00 57.16 54.97 1j5c n GLU 27 Cb 0.00 -1.36 -0.09 0.00 -1.01 0.00 0.00 31.44 28.98 1j5c n GLU 27 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 1j5c s GLU 28 N -5.79 1.72 0.07 3.49 4.04 -1.26 -0.99 118.70 119.99 1j5c s GLU 28 Ca 0.73 -2.00 0.07 0.00 0.04 0.00 0.00 54.97 53.81 1j5c s GLU 28 Cb -0.02 -0.12 -0.03 0.00 0.02 0.00 0.00 34.13 33.98 1j5c s GLU 28 CO 0.52 -0.51 -0.19 0.08 -1.84 0.00 0.00 175.26 173.32 1j5c s VAL 29 N -3.47 1.51 -0.11 1.83 1.01 0.21 -3.75 120.40 117.64 1j5c s VAL 29 Ca 0.34 -1.32 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1j5c s VAL 29 Cb 0.04 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 1j5c s VAL 29 CO 0.19 -0.00 -0.11 -0.75 0.00 0.00 0.00 175.10 174.44 1j5c s LYS 30 N -1.55 3.15 -0.32 2.72 2.20 -1.01 -1.58 119.74 123.34 1j5c s LYS 30 Ca 0.05 -0.63 0.03 0.00 -0.36 0.00 0.00 55.97 55.05 1j5c s LYS 30 Cb -0.09 -2.62 0.09 0.00 -1.51 0.00 0.00 37.83 33.70 1j5c s LYS 30 CO 0.03 0.38 0.04 -1.58 -0.36 0.00 0.00 175.35 173.86 1j5c s TRP 31 N -0.08 3.31 0.05 4.03 0.51 -0.84 -0.75 118.94 125.18 1j5c s TRP 31 Ca -0.01 -2.67 -0.18 0.00 -2.12 0.00 0.00 56.10 51.11 1j5c s TRP 31 Cb -0.14 -2.57 -0.06 0.00 -0.81 0.00 0.00 33.47 29.89 1j5c s TRP 31 CO 0.03 -0.92 0.53 0.08 -0.51 0.00 0.00 176.95 176.16 1j5c s VAL 32 N 1.06 4.83 -0.51 4.03 1.01 -1.00 -2.29 120.40 127.53 1j5c s VAL 32 Ca 0.08 1.13 -0.28 0.00 0.00 0.00 0.00 61.98 62.91 1j5c s VAL 32 Cb -0.19 -3.86 0.03 0.00 0.00 0.00 0.00 36.38 32.36 1j5c s VAL 32 CO -0.10 0.54 1.10 0.21 0.00 0.00 0.00 175.10 176.85 1j5c s ASN 33 N -0.98 6.54 0.00 3.32 2.47 -1.26 -1.41 114.94 123.63 1j5c s ASN 33 Ca 0.28 0.25 0.00 0.00 0.42 0.00 0.00 52.86 53.81 1j5c s ASN 33 Cb -0.19 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 37.09 1j5c s ASN 33 CO 0.17 -1.28 0.03 -3.20 -3.72 0.00 0.00 177.10 169.11 1j5c n ASN 34 N 7.85 0.00 -2.97 -4.21 2.85 -1.26 -4.26 115.26 113.25 1j5c n ASN 34 Ca 0.09 0.20 -0.08 0.00 -0.11 0.00 0.00 54.58 54.69 1j5c n ASN 34 Cb 0.49 -0.17 0.03 0.00 1.24 0.00 0.00 39.78 41.36 1j5c n ASN 34 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1j5c s LYS 35 N -0.41 2.06 -0.00 1.20 2.20 -1.26 -4.73 119.74 118.80 1j5c s LYS 35 Ca 0.00 -1.33 -0.00 0.00 -0.36 0.00 0.00 55.97 54.28 1j5c s LYS 35 Cb 0.00 0.57 -0.00 0.00 -1.51 0.00 0.00 37.83 36.89 1j5c s LYS 35 CO 0.00 -0.97 0.00 -0.11 -0.36 0.00 0.00 175.35 173.91 1j5c n LEU 36 N -0.57 -2.00 -4.86 5.43 -0.00 -1.26 -4.10 117.00 109.63 1j5c n LEU 36 Ca -0.07 -0.00 -0.32 0.00 -0.00 0.00 0.00 56.01 55.62 1j5c n LEU 36 Cb 0.60 -0.66 -0.05 0.00 -0.00 0.00 0.00 43.42 43.30 1j5c n LEU 36 CO 0.26 -0.00 0.39 -0.94 -0.00 0.00 0.00 177.39 177.10 1j5c s SER 37 N -2.68 6.67 1.01 1.96 1.04 -1.26 -4.28 113.70 116.16 1j5c s SER 37 Ca 0.00 1.17 -0.01 0.00 0.48 0.00 0.00 55.95 57.59 1j5c s SER 37 Cb -0.00 -2.33 0.01 0.00 0.10 0.00 0.00 66.02 63.80 1j5c s SER 37 CO 0.00 -0.24 0.07 -0.81 0.98 0.00 0.00 173.24 173.23 1j5c n PRO 38 N -0.62 -0.59 -3.57 4.02 -0.04 -1.26 -5.10 135.00 127.83 1j5c n PRO 38 Ca 0.03 -0.11 -0.15 0.00 -0.04 0.00 0.00 63.50 63.23 1j5c n PRO 38 Cb 0.53 -0.08 -0.06 0.00 -0.04 0.00 0.00 33.50 33.85 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 -1.14 -0.45 0.06 0.54 3.76 -0.19 -4.94 115.29 112.94 1j5c s HIS 39 Ca 0.04 0.58 -0.18 0.00 -0.15 0.00 0.00 55.06 55.36 1j5c s HIS 39 Cb -0.00 0.34 0.04 0.00 1.11 0.00 0.00 32.58 34.06 1j5c s HIS 39 CO 0.03 -0.62 0.41 -0.80 -0.85 0.00 0.00 174.74 172.91 1j5c s ASN 40 N -1.78 -0.27 -0.42 1.40 -0.87 -1.26 -1.12 114.94 110.62 1j5c s ASN 40 Ca -0.07 -0.07 0.10 0.00 -1.57 0.00 0.00 52.86 51.25 1j5c s ASN 40 Cb -0.01 0.43 0.33 0.00 -0.02 0.00 0.00 41.25 41.99 1j5c s ASN 40 CO 0.01 -0.70 0.74 -0.38 -2.57 0.00 0.00 177.10 174.20 1j5c n ILE 41 N 0.35 0.41 -2.45 0.60 5.41 -0.99 -4.09 119.36 118.60 1j5c n ILE 41 Ca -0.18 -4.72 -0.42 0.00 1.00 0.00 0.00 62.75 58.44 1j5c n ILE 41 Cb 0.61 -0.72 -0.03 0.00 -0.71 0.00 0.00 39.64 38.79 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 -2.64 4.11 0.02 1.39 1.01 -0.76 -1.52 120.40 122.01 1j5c s VAL 42 Ca 0.41 1.52 -0.07 0.00 0.00 0.00 0.00 61.98 63.84 1j5c s VAL 42 Cb 0.31 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 1j5c s VAL 42 CO -0.09 0.12 0.29 -0.36 0.00 0.00 0.00 175.10 175.06 1j5c s PHE 43 N 1.06 3.57 -0.17 5.22 0.40 -1.26 -1.83 117.98 124.98 1j5c s PHE 43 Ca 0.58 0.60 -0.11 0.00 -0.60 0.00 0.00 56.93 57.40 1j5c s PHE 43 Cb -0.29 -2.01 -0.05 0.00 0.51 0.00 0.00 43.02 41.19 1j5c s PHE 43 CO 0.29 0.59 0.20 0.00 0.70 0.00 0.00 175.22 177.00 1j5c s ALA 44 N -1.33 3.69 -0.82 5.36 0.00 0.33 -4.82 121.76 124.16 1j5c s ALA 44 Ca 0.29 -0.58 -0.06 0.00 0.00 0.00 0.00 51.96 51.61 1j5c s ALA 44 Cb -0.13 -2.22 0.21 0.00 0.00 0.00 0.00 23.12 20.97 1j5c s ALA 44 CO 0.17 0.22 0.71 0.00 0.00 0.00 0.00 175.76 176.86 1j5c s ALA 45 N 0.13 4.06 -0.01 0.00 0.00 -1.26 -4.43 121.76 120.25 1j5c s ALA 45 Ca 0.12 -3.54 -0.01 0.00 0.00 0.00 0.00 51.96 48.53 1j5c s ALA 45 Cb -0.12 -3.02 -0.00 0.00 0.00 0.00 0.00 23.12 19.98 1j5c s ALA 45 CO 0.01 -2.17 -0.01 -0.40 0.00 0.00 0.00 175.76 173.19 1j5c n ASP 46 N 3.11 0.08 -0.57 0.00 5.75 -1.26 -4.61 116.55 119.05 1j5c n ASP 46 Ca 0.16 0.03 0.11 0.00 -0.01 0.00 0.00 54.79 55.07 1j5c n ASP 46 Cb 0.40 -0.51 0.38 0.00 -1.03 0.00 0.00 41.12 40.35 1j5c n ASP 46 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1j5c n GLY 47 N 1.51 0.32 3.61 6.12 0.00 -1.26 -4.88 105.19 110.61 1j5c n GLY 47 Ca -0.01 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.79 2.11 0.37 1.61 1.01 -1.26 -5.06 120.40 117.37 1j5c s VAL 48 Ca 0.33 -2.04 -0.27 0.00 0.00 0.00 0.00 61.98 60.00 1j5c s VAL 48 Cb 0.18 -2.90 -0.09 0.00 0.00 0.00 0.00 36.38 33.57 1j5c s VAL 48 CO 0.27 -0.06 1.20 -1.81 0.00 0.00 0.00 175.10 174.70 1j5c s ASP 49 N -3.69 6.67 0.13 3.32 1.01 -1.26 -4.79 116.67 118.04 1j5c s ASP 49 Ca 0.35 2.45 -0.13 0.00 0.71 0.00 0.00 52.55 55.93 1j5c s ASP 49 Cb 0.07 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.33 1j5c s ASP 49 CO 0.18 -0.58 1.48 0.00 0.21 0.00 0.00 175.17 176.45 1j5c h ALA 50 N 2.99 0.53 0.16 5.23 0.00 -1.96 -0.75 119.26 125.46 1j5c h ALA 50 Ca -0.49 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.02 1j5c h ALA 50 Cb 1.23 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1j5c h ALA 50 CO 0.64 0.54 -0.09 -0.44 0.00 0.00 0.00 179.25 179.90 1j5c h ASP 51 N 0.62 -0.21 -1.01 0.00 3.32 -1.98 1.49 116.42 118.66 1j5c h ASP 51 Ca 0.07 0.01 0.25 0.00 0.02 0.00 0.00 57.03 57.39 1j5c h ASP 51 Cb 0.83 0.06 -0.12 0.00 0.22 0.00 0.00 39.33 40.32 1j5c h ASP 51 CO 0.07 -0.14 0.61 0.74 -1.72 0.00 0.00 179.24 178.80 1j5c h THR 52 N -0.22 0.52 0.00 0.35 2.02 -1.97 1.42 112.91 115.02 1j5c h THR 52 Ca -0.02 -0.19 -0.11 0.00 0.77 0.00 0.00 66.41 66.86 1j5c h THR 52 Cb 0.18 -0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.50 1j5c h THR 52 CO 0.03 0.10 -0.52 0.00 0.37 0.00 0.00 175.52 175.49 1j5c h ALA 53 N 1.72 1.03 0.45 6.16 0.00 -0.86 -2.61 119.26 125.16 1j5c h ALA 53 Ca 0.65 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1j5c h ALA 53 Cb 1.30 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1j5c h ALA 53 CO -0.46 0.66 -0.39 0.00 0.00 0.00 0.00 179.25 179.05 1j5c h ALA 54 N 1.48 -0.89 0.00 0.00 0.00 1.30 1.59 119.26 122.73 1j5c h ALA 54 Ca -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1j5c h ALA 54 Cb 0.99 0.55 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 1j5c h ALA 54 CO 0.07 -1.04 -0.06 0.87 0.00 0.00 0.00 179.25 179.09 1j5c h LYS 55 N -0.85 0.00 -0.00 0.00 1.57 -1.41 0.38 116.57 116.27 1j5c h LYS 55 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1j5c h LYS 55 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1j5c h LYS 55 CO -0.03 0.06 -0.17 1.28 -0.57 0.00 0.00 179.45 180.02 1j5c n LEU 56 N -4.30 0.38 -4.65 2.94 4.77 -0.43 -4.76 117.00 110.95 1j5c n LEU 56 Ca -0.03 0.11 -0.40 0.00 -0.03 0.00 0.00 56.01 55.67 1j5c n LEU 56 Cb 0.15 -0.27 -0.07 0.00 -2.33 0.00 0.00 43.42 40.90 1j5c n LEU 56 CO 0.33 0.08 0.31 -0.94 -1.33 0.00 0.00 177.39 175.84 1j5c s SER 57 N -2.71 6.58 -0.52 -1.43 1.04 0.53 -4.50 113.70 112.69 1j5c s SER 57 Ca 0.22 0.70 -0.16 0.00 0.48 0.00 0.00 55.95 57.19 1j5c s SER 57 Cb 0.19 -2.32 0.11 0.00 0.10 0.00 0.00 66.02 64.11 1j5c s SER 57 CO 0.54 -0.26 0.47 -1.00 0.98 0.00 0.00 173.24 173.96 1j5c s HIS 58 N 2.01 3.25 0.59 5.02 3.76 -0.58 -4.84 115.29 124.50 1j5c s HIS 58 Ca 0.25 -1.20 0.31 0.00 -0.15 0.00 0.00 55.06 54.27 1j5c s HIS 58 Cb -0.16 -3.62 1.32 0.00 1.11 0.00 0.00 32.58 31.23 1j5c s HIS 58 CO 0.09 -0.96 1.66 0.87 -0.85 0.00 0.00 174.74 175.56 1j5c h LYS 59 N 8.85 0.00 0.00 1.40 1.57 -1.93 -1.94 116.57 124.52 1j5c h LYS 59 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1j5c h LYS 59 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1j5c h LYS 59 CO 0.99 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 180.28 1j5c n GLY 60 N -1.64 0.99 1.51 3.86 0.00 -1.26 -4.64 105.19 104.00 1j5c n GLY 60 Ca 0.18 -1.46 -0.01 0.00 0.00 0.00 0.00 46.02 44.74 1j5c n GLY 60 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1j5c n LEU 61 N 0.00 -2.04 -4.52 0.99 7.94 -0.28 -4.92 117.00 114.16 1j5c n LEU 61 Ca 0.00 -0.02 -0.38 0.00 -1.11 0.00 0.00 56.01 54.50 1j5c n LEU 61 Cb 0.00 -0.57 -0.11 0.00 0.53 0.00 0.00 43.42 43.27 1j5c n LEU 61 CO 0.00 0.02 -0.18 0.00 -1.11 0.00 0.00 177.39 176.12 1j5c s ALA 62 N -3.01 3.42 0.08 1.96 0.00 -0.31 -4.91 121.76 118.99 1j5c s ALA 62 Ca 0.01 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.75 1j5c s ALA 62 Cb -0.01 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 20.66 1j5c s ALA 62 CO 0.02 -0.72 0.00 1.19 0.00 0.00 0.00 175.76 176.25 1j5c n PHE 63 N 5.04 -0.13 -2.51 0.00 3.01 -1.26 -1.02 117.46 120.59 1j5c n PHE 63 Ca -0.14 0.02 -0.40 0.00 1.01 0.00 0.00 57.45 57.94 1j5c n PHE 63 Cb 0.51 0.04 -0.05 0.00 -0.01 0.00 0.00 39.48 39.97 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 3.40 -1.32 4.37 0.00 -1.26 -4.75 121.76 120.20 1j5c s ALA 64 Ca 0.00 0.86 -0.13 0.00 0.00 0.00 0.00 51.96 52.69 1j5c s ALA 64 Cb 0.00 -3.31 0.12 0.00 0.00 0.00 0.00 23.12 19.93 1j5c s ALA 64 CO 0.00 -0.11 1.86 0.00 0.00 0.00 0.00 175.76 177.51 1j5c n ALA 65 N 1.23 4.85 0.00 0.00 0.00 -1.26 -3.64 120.51 121.68 1j5c n ALA 65 Ca -0.01 -4.12 0.00 0.00 0.00 0.00 0.00 53.44 49.31 1j5c n ALA 65 Cb 0.45 -3.24 0.00 0.00 0.00 0.00 0.00 19.45 16.66 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 3.79 0.14 3.57 0.00 0.00 -1.26 -4.97 105.19 106.46 1j5c n GLY 66 Ca 0.44 -0.10 -0.41 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 -1.10 3.25 0.24 1.61 2.02 -1.24 -4.90 118.70 118.58 1j5c s GLU 67 Ca 0.00 0.39 0.07 0.00 0.02 0.00 0.00 54.97 55.45 1j5c s GLU 67 Cb 0.00 -4.15 -0.04 0.00 0.10 0.00 0.00 34.13 30.05 1j5c s GLU 67 CO 0.00 -2.01 0.18 -1.54 0.02 0.00 0.00 175.26 171.91 1j5c s SER 68 N 4.57 5.50 0.44 -0.19 1.04 -1.26 -4.38 113.70 119.42 1j5c s SER 68 Ca 0.51 -0.24 0.06 0.00 0.48 0.00 0.00 55.95 56.77 1j5c s SER 68 Cb -0.11 -1.40 -0.04 0.00 0.10 0.00 0.00 66.02 64.57 1j5c s SER 68 CO 0.24 -0.02 0.14 -0.36 0.98 0.00 0.00 173.24 174.22 1j5c s PHE 69 N -2.06 2.36 0.01 5.02 0.08 -0.97 -4.97 117.98 117.44 1j5c s PHE 69 Ca 0.32 -0.69 -0.08 0.00 0.12 0.00 0.00 56.93 56.60 1j5c s PHE 69 Cb -0.08 -1.86 0.00 0.00 -0.57 0.00 0.00 43.02 40.51 1j5c s PHE 69 CO 0.24 0.18 0.15 0.99 -0.10 0.00 0.00 175.22 176.68 1j5c s THR 70 N -2.69 0.09 -0.08 0.64 2.01 -1.26 -1.98 115.64 112.36 1j5c s THR 70 Ca 0.33 -0.73 -0.05 0.00 0.31 0.00 0.00 61.69 61.55 1j5c s THR 70 Cb 0.04 -0.51 0.03 0.00 0.01 0.00 0.00 72.50 72.07 1j5c s THR 70 CO 0.18 -0.40 0.20 -0.94 -0.69 0.00 0.00 174.62 172.97 1j5c s SER 71 N -1.50 -0.20 -0.04 3.53 1.04 -0.62 -4.94 113.70 110.97 1j5c s SER 71 Ca -0.13 0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.71 1j5c s SER 71 Cb -0.07 0.34 -0.03 0.00 0.10 0.00 0.00 66.02 66.36 1j5c s SER 71 CO 0.01 -0.12 -0.00 -0.89 0.98 0.00 0.00 173.24 173.21 1j5c s THR 72 N 0.81 4.19 -0.34 2.02 2.01 -1.26 0.65 115.64 123.73 1j5c s THR 72 Ca -0.06 -0.44 0.04 0.00 0.31 0.00 0.00 61.69 61.54 1j5c s THR 72 Cb -0.07 -2.81 0.10 0.00 0.01 0.00 0.00 72.50 69.72 1j5c s THR 72 CO -0.05 0.49 0.05 -0.36 -0.69 0.00 0.00 174.62 174.06 1j5c s PHE 73 N -0.98 3.66 0.09 4.92 0.08 -0.16 -4.85 117.98 120.74 1j5c s PHE 73 Ca 0.16 -2.93 0.08 0.00 0.12 0.00 0.00 56.93 54.36 1j5c s PHE 73 Cb -0.11 -2.85 -0.18 0.00 -0.57 0.00 0.00 43.02 39.31 1j5c s PHE 73 CO 0.06 -0.94 1.30 1.15 -0.10 0.00 0.00 175.22 176.69 1j5c h THR 74 N 6.61 1.63 -2.97 0.64 2.02 -1.88 0.56 112.91 119.52 1j5c h THR 74 Ca -0.05 -3.30 -0.66 0.00 0.77 0.00 0.00 66.41 63.18 1j5c h THR 74 Cb 1.02 2.80 -0.09 0.00 -1.74 0.00 0.00 68.15 70.14 1j5c h THR 74 CO 0.52 0.93 -0.54 -1.61 0.37 0.00 0.00 175.52 175.18 1j5c s GLU 75 N -2.74 3.21 0.80 6.66 0.41 -1.26 -4.40 118.70 121.38 1j5c s GLU 75 Ca 0.01 -0.36 -0.11 0.00 -0.41 0.00 0.00 54.97 54.10 1j5c s GLU 75 Cb 0.10 -2.97 0.07 0.00 -1.78 0.00 0.00 34.13 29.55 1j5c s GLU 75 CO 0.81 0.69 1.10 -1.25 -0.49 0.00 0.00 175.26 176.12 1j5c s PRO 76 N -1.50 2.06 0.00 0.39 0.04 -1.26 -4.89 135.00 129.84 1j5c s PRO 76 Ca 0.21 0.63 0.00 0.00 0.04 0.00 0.00 61.00 61.88 1j5c s PRO 76 Cb -0.12 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1j5c s PRO 76 CO 0.11 -1.63 0.00 0.41 0.04 0.00 0.00 177.00 175.93 1j5c n GLY 77 N -2.10 1.04 3.48 0.56 0.00 -1.03 -4.95 105.19 102.19 1j5c n GLY 77 Ca 0.07 -2.07 -0.33 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.03 3.29 0.33 2.61 2.01 -1.26 -0.10 115.64 121.48 1j5c s THR 78 Ca 0.00 -0.62 0.10 0.00 0.31 0.00 0.00 61.69 61.48 1j5c s THR 78 Cb 0.00 -2.33 -0.06 0.00 0.01 0.00 0.00 72.50 70.12 1j5c s THR 78 CO 0.00 0.57 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.07 1j5c s TYR 79 N -0.45 2.38 -0.03 4.92 1.51 -0.37 -4.89 117.35 120.43 1j5c s TYR 79 Ca 0.06 -0.45 -0.03 0.00 -1.01 0.00 0.00 57.07 55.63 1j5c s TYR 79 Cb -0.12 -1.29 0.01 0.00 -0.11 0.00 0.00 41.96 40.45 1j5c s TYR 79 CO 0.02 0.62 0.09 0.99 -1.11 0.00 0.00 175.55 176.15 1j5c s THR 80 N -2.58 0.02 0.09 -0.71 2.01 -1.26 -0.05 115.64 113.16 1j5c s THR 80 Ca 0.32 -0.13 -0.04 0.00 0.31 0.00 0.00 61.69 62.15 1j5c s THR 80 Cb 0.00 -0.17 -0.03 0.00 0.01 0.00 0.00 72.50 72.32 1j5c s THR 80 CO 0.16 -0.07 0.08 -0.72 -0.69 0.00 0.00 174.62 173.39 1j5c s TYR 81 N -0.19 0.46 0.01 4.92 1.13 -1.01 -0.51 117.35 122.16 1j5c s TYR 81 Ca -0.02 -0.92 -0.28 0.00 -1.41 0.00 0.00 57.07 54.43 1j5c s TYR 81 Cb -0.02 -0.27 0.10 0.00 -1.10 0.00 0.00 41.96 40.67 1j5c s TYR 81 CO 0.00 -0.49 1.25 1.52 -2.51 0.00 0.00 175.55 175.32 1j5c s TYR 82 N -3.93 0.00 -0.59 -3.49 -0.85 -0.76 -4.17 117.35 103.56 1j5c s TYR 82 Ca 0.11 -0.15 -0.19 0.00 -0.52 0.00 0.00 57.07 56.31 1j5c s TYR 82 Cb 0.06 0.57 0.10 0.00 0.38 0.00 0.00 41.96 43.08 1j5c s TYR 82 CO -0.07 -0.37 0.73 0.00 -1.52 0.00 0.00 175.55 174.32 1j5c h GLU 84 N 9.22 -0.49 0.02 0.00 5.08 -1.93 -3.31 114.58 123.17 1j5c h GLU 84 Ca -0.29 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1j5c h GLU 84 Cb 1.09 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1j5c h GLU 84 CO 1.10 -0.33 -0.01 -1.00 -1.00 0.00 0.00 179.01 177.78 1j5c h PRO 85 N -0.51 -0.02 0.00 2.33 0.13 -2.00 -3.49 132.00 128.44 1j5c h PRO 85 Ca 0.06 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.28 1j5c h PRO 85 Cb 0.60 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.72 1j5c h PRO 85 CO -0.30 -0.01 -0.12 1.58 -0.23 0.00 0.00 178.00 178.91 1j5c n HIS 86 N -2.18 -2.11 -2.79 1.56 -0.00 -1.25 -4.69 115.22 103.75 1j5c n HIS 86 Ca -0.00 0.41 -0.00 0.00 0.46 0.00 0.00 57.72 58.59 1j5c n HIS 86 Cb 0.01 -0.71 0.06 0.00 -0.12 0.00 0.00 29.99 29.23 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 -1.51 1.58 0.00 1.57 0.63 -1.26 -5.03 116.66 112.64 1j5c n ARG 87 Ca 0.00 -3.05 0.00 0.00 -0.92 0.00 0.00 57.85 53.88 1j5c n ARG 87 Cb 0.15 -1.19 0.00 0.00 0.45 0.00 0.00 32.46 31.87 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 -0.70 2.35 0.00 5.14 0.00 -1.26 -5.14 105.19 105.58 1j5c n GLY 88 Ca 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 1.95 -3.64 4.61 0.00 -1.26 -5.15 120.51 114.03 1j5c n ALA 89 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1j5c n ALA 89 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1j5c n ALA 89 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1j5c s GLY 90 N -1.95 -0.26 0.59 0.00 0.00 -1.26 -5.07 107.32 99.37 1j5c s GLY 90 Ca 0.00 2.79 0.01 0.00 0.00 0.00 0.00 44.72 47.52 1j5c s GLY 90 CO 0.00 2.40 0.82 1.06 0.00 0.00 0.00 173.10 177.38 1j5c s MET 91 N 1.26 2.35 -0.00 2.90 -1.94 -1.26 -4.57 119.30 118.03 1j5c s MET 91 Ca -0.07 -0.89 -0.01 0.00 -1.71 0.00 0.00 55.69 53.01 1j5c s MET 91 Cb -0.04 -2.46 -0.00 0.00 2.01 0.00 0.00 34.83 34.33 1j5c s MET 91 CO -0.15 -0.87 0.02 0.14 -0.01 0.00 0.00 175.02 174.15 1j5c s VAL 92 N -2.84 0.04 0.00 -6.03 -7.23 -1.26 -4.92 120.40 98.16 1j5c s VAL 92 Ca 0.59 -0.29 0.00 0.00 -1.81 0.00 0.00 61.98 60.47 1j5c s VAL 92 Cb -0.09 -0.13 0.00 0.00 0.56 0.00 0.00 36.38 36.72 1j5c s VAL 92 CO 0.40 -0.16 0.00 0.61 -0.31 0.00 0.00 175.10 175.63 1j5c n GLY 93 N 2.56 2.29 3.13 2.32 0.00 -1.26 -2.53 105.19 111.69 1j5c n GLY 93 Ca -0.16 0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.33 0.59 0.20 1.61 -2.85 -1.02 -2.40 119.74 115.54 1j5c s LYS 94 Ca 0.00 -0.65 0.08 0.00 -1.00 0.00 0.00 55.97 54.40 1j5c s LYS 94 Cb 0.00 0.24 -0.04 0.00 -2.06 0.00 0.00 37.83 35.97 1j5c s LYS 94 CO 0.00 -0.15 -0.02 0.08 0.10 0.00 0.00 175.35 175.36 1j5c s VAL 95 N -2.34 3.55 -0.14 1.79 1.01 0.93 -3.45 120.40 121.76 1j5c s VAL 95 Ca -0.07 -1.61 -0.01 0.00 0.00 0.00 0.00 61.98 60.30 1j5c s VAL 95 Cb -0.03 -2.82 0.03 0.00 0.00 0.00 0.00 36.38 33.57 1j5c s VAL 95 CO -0.03 -0.19 -0.06 -0.69 0.00 0.00 0.00 175.10 174.13 1j5c s VAL 96 N -1.90 1.04 -0.51 2.92 1.01 -1.13 -1.23 120.40 120.60 1j5c s VAL 96 Ca 0.28 -0.44 -0.15 0.00 0.00 0.00 0.00 61.98 61.67 1j5c s VAL 96 Cb -0.08 -1.15 0.11 0.00 0.00 0.00 0.00 36.38 35.26 1j5c s VAL 96 CO 0.18 0.24 0.44 -0.69 0.00 0.00 0.00 175.10 175.28 1j5c s VAL 97 N 1.68 5.10 -2.56 2.92 1.01 0.85 -0.33 120.40 129.08 1j5c s VAL 97 Ca 0.03 -1.37 0.28 0.00 0.00 0.00 0.00 61.98 60.91 1j5c s VAL 97 Cb -0.14 -4.20 0.51 0.00 0.00 0.00 0.00 36.38 32.55 1j5c s VAL 97 CO -0.08 -0.75 1.69 -0.67 0.00 0.00 0.00 175.10 175.29