#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3t h SER 2 N 0.00 0.30 -5.11 1.61 0.02 -2.12 -3.47 113.55 104.78 1j3t h SER 2 Ca 0.00 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1j3t h SER 2 Cb 0.00 -0.09 -0.08 0.00 0.14 0.00 0.00 62.40 62.37 1j3t h SER 2 CO 0.00 1.08 0.05 -0.44 -1.14 0.00 0.00 176.83 176.38 1j3t s SER 3 N -6.96 -0.21 0.00 3.07 0.01 -1.26 -5.15 113.70 103.21 1j3t s SER 3 Ca -0.03 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 56.56 1j3t s SER 3 Cb 0.10 0.63 0.00 0.00 0.21 0.00 0.00 66.02 66.95 1j3t s SER 3 CO 0.84 -1.18 0.00 0.61 0.41 0.00 0.00 173.24 173.92 1j3t n GLY 4 N -0.39 2.62 0.00 3.44 0.00 -1.26 -4.99 105.19 104.61 1j3t n GLY 4 Ca -0.05 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1j3t n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j3t n SER 5 N 0.00 0.00 -0.38 1.61 7.64 -1.26 -4.95 113.62 116.27 1j3t n SER 5 Ca 0.00 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.18 1j3t n SER 5 Cb 0.00 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 1j3t n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1j3t n SER 6 N -1.27 -4.14 -2.20 6.43 7.64 -1.26 -4.97 113.62 113.85 1j3t n SER 6 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 1j3t n SER 6 Cb 0.07 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.31 1j3t n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j3t n GLY 7 N 0.00 0.03 1.83 0.23 0.00 -1.26 -4.95 105.19 101.07 1j3t n GLY 7 Ca 0.00 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 1j3t n GLY 7 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1j3t n VAL 8 N -2.30 2.98 -1.41 1.61 0.24 -1.26 -5.06 118.33 113.12 1j3t n VAL 8 Ca -0.07 -2.53 -0.33 0.00 -2.04 0.00 0.00 64.34 59.38 1j3t n VAL 8 Cb 0.56 -0.55 0.09 0.00 -1.47 0.00 0.00 33.84 32.47 1j3t n VAL 8 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1j3t s GLU 9 N -3.38 2.24 1.17 7.34 2.12 -1.26 -5.00 118.70 121.93 1j3t s GLU 9 Ca 0.53 1.48 -0.17 0.00 0.36 0.00 0.00 54.97 57.17 1j3t s GLU 9 Cb 0.45 -1.87 0.20 0.00 0.26 0.00 0.00 34.13 33.17 1j3t s GLU 9 CO 0.04 -1.70 0.40 0.09 -0.54 0.00 0.00 175.26 173.55 1j3t n ASN 10 N -2.98 -2.49 -4.76 -1.70 3.02 -1.26 -4.96 115.26 100.13 1j3t n ASN 10 Ca 0.11 -0.26 -0.38 0.00 -0.03 0.00 0.00 54.58 54.02 1j3t n ASN 10 Cb 0.52 -1.02 0.02 0.00 -0.61 0.00 0.00 39.78 38.69 1j3t n ASN 10 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1j3t s LEU 11 N -3.51 3.90 0.13 3.41 2.96 -1.25 -4.86 118.68 119.46 1j3t s LEU 11 Ca 0.59 2.58 0.10 0.00 -0.22 0.00 0.00 54.13 57.18 1j3t s LEU 11 Cb -0.15 -4.27 -0.04 0.00 0.50 0.00 0.00 46.19 42.23 1j3t s LEU 11 CO 0.62 -1.33 -0.26 -0.54 -1.32 0.00 0.00 176.35 173.52 1j3t s LYS 12 N -2.84 1.35 -0.04 1.98 1.02 -1.26 -0.16 119.74 119.79 1j3t s LYS 12 Ca 0.69 -1.32 0.01 0.00 0.02 0.00 0.00 55.97 55.36 1j3t s LYS 12 Cb -0.36 -1.79 0.02 0.00 -0.52 0.00 0.00 37.83 35.19 1j3t s LYS 12 CO 0.42 0.42 -0.02 0.00 -0.92 0.00 0.00 175.35 175.25 1j3t s ALA 13 N -1.12 0.50 -0.03 5.17 0.00 -0.60 -2.84 121.76 122.84 1j3t s ALA 13 Ca 0.13 0.05 -0.25 0.00 0.00 0.00 0.00 51.96 51.89 1j3t s ALA 13 Cb -0.10 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 1j3t s ALA 13 CO 0.06 -0.03 0.78 -1.14 0.00 0.00 0.00 175.76 175.43 1j3t s GLN 14 N 0.92 4.48 0.29 0.00 0.74 -0.30 -1.63 119.66 124.16 1j3t s GLN 14 Ca -0.11 1.04 -0.29 0.00 0.05 0.00 0.00 55.36 56.05 1j3t s GLN 14 Cb -0.14 -3.43 -0.10 0.00 1.10 0.00 0.00 33.01 30.44 1j3t s GLN 14 CO -0.01 0.08 1.18 0.00 -0.55 0.00 0.00 175.29 175.99 1j3t s ALA 15 N 0.69 3.44 -0.43 1.58 0.00 -0.03 -1.23 121.76 125.78 1j3t s ALA 15 Ca 0.41 1.03 0.22 0.00 0.00 0.00 0.00 51.96 53.62 1j3t s ALA 15 Cb -0.19 -3.38 -0.11 0.00 0.00 0.00 0.00 23.12 19.43 1j3t s ALA 15 CO 0.21 -0.34 0.85 1.28 0.00 0.00 0.00 175.76 177.76 1j3t n LEU 16 N 1.15 0.50 -3.61 0.00 4.77 0.36 -0.74 117.00 119.43 1j3t n LEU 16 Ca -0.00 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.82 1j3t n LEU 16 Cb 0.44 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.42 1j3t n LEU 16 CO 0.56 0.02 0.23 0.00 -1.33 0.00 0.00 177.39 176.87 1j3t s SER 18 N -1.98 7.16 -0.17 0.00 0.01 -1.26 -3.81 113.70 113.65 1j3t s SER 18 Ca -0.05 2.19 -0.04 0.00 1.31 0.00 0.00 55.95 59.35 1j3t s SER 18 Cb -0.01 -2.61 0.08 0.00 0.21 0.00 0.00 66.02 63.69 1j3t s SER 18 CO -0.02 -0.22 0.24 0.86 0.41 0.00 0.00 173.24 174.52 1j3t s TRP 19 N -1.30 -0.37 0.80 2.43 -0.00 -0.21 -4.85 118.94 115.44 1j3t s TRP 19 Ca 0.48 0.57 -0.12 0.00 -0.00 0.00 0.00 56.10 57.03 1j3t s TRP 19 Cb -0.29 -0.21 0.08 0.00 -0.00 0.00 0.00 33.47 33.05 1j3t s TRP 19 CO 0.37 -0.50 1.14 0.95 -0.00 0.00 0.00 176.95 178.90 1j3t s THR 20 N 2.38 2.69 0.98 5.86 -4.23 -1.26 -1.65 115.64 120.40 1j3t s THR 20 Ca 0.05 0.26 -0.12 0.00 -1.18 0.00 0.00 61.69 60.69 1j3t s THR 20 Cb -0.14 -2.61 0.18 0.00 1.34 0.00 0.00 72.50 71.27 1j3t s THR 20 CO -0.11 -0.26 1.10 0.00 -0.54 0.00 0.00 174.62 174.81 1j3t s ALA 21 N -2.57 1.12 0.00 3.99 0.00 -1.23 -4.80 121.76 118.27 1j3t s ALA 21 Ca 0.66 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.25 1j3t s ALA 21 Cb -0.22 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1j3t s ALA 21 CO 0.53 -2.72 0.00 1.63 0.00 0.00 0.00 175.76 175.20 1j3t n LYS 22 N -4.09 0.00 -0.75 0.00 4.01 -1.26 -5.04 118.16 111.03 1j3t n LYS 22 Ca 0.05 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.56 1j3t n LYS 22 Cb 0.57 0.00 0.21 0.00 -0.51 0.00 0.00 35.03 35.31 1j3t n LYS 22 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1j3t s LYS 23 N -0.93 -0.12 0.07 1.97 -0.14 -1.26 -4.95 119.74 114.38 1j3t s LYS 23 Ca 0.00 0.92 -0.22 0.00 -1.36 0.00 0.00 55.97 55.31 1j3t s LYS 23 Cb 0.00 -1.64 -0.08 0.00 -1.68 0.00 0.00 37.83 34.43 1j3t s LYS 23 CO 0.00 -3.21 1.35 -0.44 -0.76 0.00 0.00 175.35 172.29 1j3t h ASP 24 N -2.26 -1.08 0.00 2.83 5.19 -2.03 -2.91 116.42 116.17 1j3t h ASP 24 Ca -0.56 0.13 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 1j3t h ASP 24 Cb 1.31 0.42 0.00 0.00 0.18 0.00 0.00 39.33 41.24 1j3t h ASP 24 CO 0.50 -0.32 0.00 -0.46 -3.12 0.00 0.00 179.24 175.85 1j3t n ASN 25 N -4.38 0.21 -4.80 6.45 6.94 -1.26 -4.78 115.26 113.64 1j3t n ASN 25 Ca -0.04 -1.54 -0.38 0.00 -0.02 0.00 0.00 54.58 52.60 1j3t n ASN 25 Cb 0.24 -0.10 -0.06 0.00 -2.36 0.00 0.00 39.78 37.50 1j3t n ASN 25 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 1j3t s HIS 26 N -1.73 3.71 0.74 -2.53 3.76 -1.10 -0.31 115.29 117.83 1j3t s HIS 26 Ca 0.00 1.06 -0.11 0.00 -0.15 0.00 0.00 55.06 55.86 1j3t s HIS 26 Cb 0.00 -2.41 0.04 0.00 1.11 0.00 0.00 32.58 31.32 1j3t s HIS 26 CO 0.00 0.53 1.09 -1.17 -0.85 0.00 0.00 174.74 174.34 1j3t s LEU 27 N -0.73 3.10 -0.11 0.89 1.98 -0.10 -4.60 118.68 119.11 1j3t s LEU 27 Ca 0.26 1.81 0.00 0.00 -2.89 0.00 0.00 54.13 53.31 1j3t s LEU 27 Cb -0.17 -4.52 0.02 0.00 0.66 0.00 0.00 46.19 42.18 1j3t s LEU 27 CO 0.14 -1.86 -0.09 0.54 -1.89 0.00 0.00 176.35 173.19 1j3t s ASN 28 N -3.35 2.21 0.20 3.68 2.20 -1.26 -3.54 114.94 115.08 1j3t s ASN 28 Ca 0.61 -0.33 0.01 0.00 -0.94 0.00 0.00 52.86 52.21 1j3t s ASN 28 Cb -0.17 -0.89 -0.05 0.00 -2.00 0.00 0.00 41.25 38.14 1j3t s ASN 28 CO 0.54 -0.09 0.05 0.72 -2.94 0.00 0.00 177.10 175.38 1j3t s PHE 29 N 1.55 1.28 0.29 1.54 -0.12 -0.66 -4.88 117.98 116.97 1j3t s PHE 29 Ca 0.03 -1.14 0.07 0.00 -0.05 0.00 0.00 56.93 55.84 1j3t s PHE 29 Cb -0.13 -0.73 -0.03 0.00 -0.63 0.00 0.00 43.02 41.50 1j3t s PHE 29 CO -0.07 -0.33 0.27 -1.12 -0.05 0.00 0.00 175.22 173.92 1j3t s SER 30 N -3.21 5.56 -0.01 1.98 0.01 -1.26 -1.05 113.70 115.73 1j3t s SER 30 Ca 0.30 -0.30 -0.34 0.00 1.31 0.00 0.00 55.95 56.93 1j3t s SER 30 Cb 0.07 -1.28 -0.12 0.00 0.21 0.00 0.00 66.02 64.90 1j3t s SER 30 CO 0.08 -0.19 1.82 1.17 0.41 0.00 0.00 173.24 176.53 1j3t n LYS 31 N -1.31 2.28 -0.99 12.44 4.81 -1.25 -1.55 118.16 132.58 1j3t n LYS 31 Ca -0.05 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.22 1j3t n LYS 31 Cb 0.58 -2.67 0.00 0.00 0.02 0.00 0.00 35.03 32.96 1j3t n LYS 31 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1j3t n HIS 32 N 5.90 0.00 -0.73 5.64 8.25 0.08 -4.90 115.22 129.47 1j3t n HIS 32 Ca 0.21 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.36 1j3t n HIS 32 Cb 0.31 -0.50 0.16 0.00 1.12 0.00 0.00 29.99 31.08 1j3t n HIS 32 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1j3t s ASP 33 N -2.04 2.99 -0.19 0.41 1.01 -0.60 -4.72 116.67 113.54 1j3t s ASP 33 Ca 0.00 2.17 -0.00 0.00 0.71 0.00 0.00 52.55 55.43 1j3t s ASP 33 Cb 0.00 -2.56 0.01 0.00 1.01 0.00 0.00 42.92 41.38 1j3t s ASP 33 CO 0.00 -3.06 -0.16 -0.63 0.21 0.00 0.00 175.17 171.53 1j3t s ILE 34 N -2.66 2.43 -0.12 0.77 -1.09 -1.26 -0.85 121.20 118.41 1j3t s ILE 34 Ca 0.66 -0.82 -0.00 0.00 -2.23 0.00 0.00 60.65 58.26 1j3t s ILE 34 Cb -0.22 -2.04 -0.02 0.00 -1.58 0.00 0.00 42.46 38.59 1j3t s ILE 34 CO 0.58 0.51 -0.11 -0.63 -1.23 0.00 0.00 174.94 174.06 1j3t s ILE 35 N 1.27 3.25 -0.57 2.92 1.09 -0.65 -4.75 121.20 123.77 1j3t s ILE 35 Ca 0.04 -0.60 -0.27 0.00 -1.10 0.00 0.00 60.65 58.72 1j3t s ILE 35 Cb -0.14 -2.36 -0.02 0.00 -1.06 0.00 0.00 42.46 38.88 1j3t s ILE 35 CO -0.09 0.53 1.80 -0.89 -0.10 0.00 0.00 174.94 176.20 1j3t s THR 36 N 0.12 3.42 0.47 2.92 2.01 -0.14 -1.56 115.64 122.88 1j3t s THR 36 Ca -0.05 0.29 -0.23 0.00 0.31 0.00 0.00 61.69 62.00 1j3t s THR 36 Cb -0.15 -3.96 -0.07 0.00 0.01 0.00 0.00 72.50 68.34 1j3t s THR 36 CO 0.04 -0.88 1.26 -0.69 -0.69 0.00 0.00 174.62 173.67 1j3t s VAL 37 N 8.44 2.64 0.00 3.82 1.01 0.77 -0.35 120.40 136.73 1j3t s VAL 37 Ca 0.67 0.51 0.00 0.00 0.00 0.00 0.00 61.98 63.16 1j3t s VAL 37 Cb -0.14 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1j3t s VAL 37 CO 0.23 0.02 0.00 0.18 0.00 0.00 0.00 175.10 175.53 1j3t n LEU 38 N -0.48 0.00 -3.58 3.92 4.77 0.59 -3.95 117.00 118.27 1j3t n LEU 38 Ca 0.07 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.96 1j3t n LEU 38 Cb 0.46 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 1j3t n LEU 38 CO 0.52 0.00 0.47 -0.70 -1.33 0.00 0.00 177.39 176.35 1j3t s GLU 39 N -0.56 1.38 -0.21 3.23 2.12 -1.06 -4.95 118.70 118.64 1j3t s GLU 39 Ca 0.00 -0.62 -0.04 0.00 0.36 0.00 0.00 54.97 54.67 1j3t s GLU 39 Cb 0.00 0.56 0.07 0.00 0.26 0.00 0.00 34.13 35.03 1j3t s GLU 39 CO 0.00 -0.61 0.09 -0.65 -0.54 0.00 0.00 175.26 173.55 1j3t s GLN 40 N -3.71 0.21 0.00 4.30 -0.21 -1.26 -0.70 119.66 118.29 1j3t s GLN 40 Ca 0.05 -0.30 0.00 0.00 0.02 0.00 0.00 55.36 55.13 1j3t s GLN 40 Cb -0.02 -1.68 0.00 0.00 1.00 0.00 0.00 33.01 32.30 1j3t s GLN 40 CO -0.06 -0.78 0.00 1.04 -2.12 0.00 0.00 175.29 173.37 1j3t n GLN 41 N 5.22 -0.63 -0.48 2.91 1.13 0.37 -4.92 117.38 120.99 1j3t n GLN 41 Ca -0.07 0.00 0.39 0.00 -1.94 0.00 0.00 57.00 55.39 1j3t n GLN 41 Cb 0.46 0.00 0.70 0.00 0.11 0.00 0.00 30.24 31.52 1j3t n GLN 41 CO 0.00 0.00 0.00 1.05 -1.44 0.00 0.00 177.06 176.67 1j3t h GLU 42 N 0.00 0.08 0.00 -1.09 4.11 -2.02 -3.37 114.58 112.28 1j3t h GLU 42 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1j3t h GLU 42 Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1j3t h GLU 42 CO 0.00 0.05 0.00 0.09 0.07 0.00 0.00 179.01 179.22 1j3t n ASN 43 N -4.39 0.00 -4.73 3.06 3.02 -1.26 -5.10 115.26 105.87 1j3t n ASN 43 Ca 0.35 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.49 1j3t n ASN 43 Cb 1.49 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 40.62 1j3t n ASN 43 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1j3t s TRP 44 N -0.96 3.49 0.02 3.10 0.52 -1.26 -0.72 118.94 123.13 1j3t s TRP 44 Ca 0.00 1.43 0.07 0.00 0.02 0.00 0.00 56.10 57.62 1j3t s TRP 44 Cb 0.00 -3.37 -0.03 0.00 -1.15 0.00 0.00 33.47 28.92 1j3t s TRP 44 CO 0.00 -1.01 -0.21 -1.58 0.02 0.00 0.00 176.95 174.17 1j3t s TRP 45 N 0.43 2.48 0.03 -1.98 0.52 0.66 -0.48 118.94 120.61 1j3t s TRP 45 Ca 0.54 -0.31 -0.24 0.00 0.02 0.00 0.00 56.10 56.12 1j3t s TRP 45 Cb -0.30 -1.48 -0.05 0.00 -1.15 0.00 0.00 33.47 30.49 1j3t s TRP 45 CO 0.32 0.16 0.72 0.12 0.02 0.00 0.00 176.95 178.30 1j3t s PHE 46 N -0.82 3.72 0.14 -1.98 5.36 0.12 -0.62 117.98 123.91 1j3t s PHE 46 Ca 0.13 1.40 -0.25 0.00 -0.96 0.00 0.00 56.93 57.25 1j3t s PHE 46 Cb -0.10 -2.77 0.07 0.00 -0.34 0.00 0.00 43.02 39.88 1j3t s PHE 46 CO 0.03 0.29 0.83 0.20 -1.46 0.00 0.00 175.22 175.11 1j3t s GLY 47 N -0.10 -0.33 -0.11 13.12 0.00 -0.24 -0.30 107.32 119.37 1j3t s GLY 47 Ca 0.37 0.32 0.03 0.00 0.00 0.00 0.00 44.72 45.44 1j3t s GLY 47 CO 0.21 0.10 -0.19 1.85 0.00 0.00 0.00 173.10 175.07 1j3t s GLU 48 N -3.46 2.64 -0.14 2.90 2.12 0.53 -2.81 118.70 120.47 1j3t s GLU 48 Ca 0.08 -0.72 -0.07 0.00 0.36 0.00 0.00 54.97 54.62 1j3t s GLU 48 Cb -0.02 -2.11 0.06 0.00 0.26 0.00 0.00 34.13 32.32 1j3t s GLU 48 CO -0.02 0.04 0.32 0.54 -0.54 0.00 0.00 175.26 175.59 1j3t s VAL 49 N 0.70 -0.13 -1.24 3.70 0.11 -1.26 -0.97 120.40 121.32 1j3t s VAL 49 Ca -0.12 0.15 -0.15 0.00 -2.93 0.00 0.00 61.98 58.93 1j3t s VAL 49 Cb -0.16 -0.49 -0.00 0.00 -1.53 0.00 0.00 36.38 34.20 1j3t s VAL 49 CO 0.02 0.06 0.66 1.41 -3.33 0.00 0.00 175.10 173.92 1j3t n HIS 50 N 4.47 -1.77 -1.00 1.54 8.25 -1.26 -3.69 115.22 121.75 1j3t n HIS 50 Ca -0.21 0.52 -0.00 0.00 -0.26 0.00 0.00 57.72 57.77 1j3t n HIS 50 Cb 0.53 -3.50 -0.00 0.00 1.12 0.00 0.00 29.99 28.14 1j3t n HIS 50 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1j3t n GLY 51 N -1.82 0.43 0.00 -1.41 0.00 -1.26 -4.92 105.19 96.21 1j3t n GLY 51 Ca -0.17 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1j3t n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j3t n GLY 52 N -2.39 -0.00 1.55 -0.02 0.00 -1.24 -5.12 105.19 97.97 1j3t n GLY 52 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1j3t n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j3t n ARG 53 N -1.66 -3.98 0.00 1.61 1.74 -1.26 -5.02 116.66 108.09 1j3t n ARG 53 Ca 0.00 3.12 0.00 0.00 -0.77 0.00 0.00 57.85 60.20 1j3t n ARG 53 Cb 0.00 -3.99 0.00 0.00 -1.02 0.00 0.00 32.46 27.45 1j3t n ARG 53 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j3t n GLY 54 N -2.95 -0.68 3.78 -0.13 0.00 -1.12 -4.60 105.19 99.48 1j3t n GLY 54 Ca -0.02 -1.28 -0.27 0.00 0.00 0.00 0.00 46.02 44.45 1j3t n GLY 54 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1j3t s TRP 55 N -2.00 3.13 -0.15 1.61 0.52 0.58 -1.08 118.94 121.54 1j3t s TRP 55 Ca 0.00 -0.01 -0.26 0.00 0.02 0.00 0.00 56.10 55.86 1j3t s TRP 55 Cb 0.00 -1.52 0.06 0.00 -1.15 0.00 0.00 33.47 30.86 1j3t s TRP 55 CO 0.00 0.52 0.64 -0.59 0.02 0.00 0.00 176.95 177.54 1j3t s PHE 56 N -1.66 -0.66 0.04 -1.98 -0.71 0.21 -0.92 117.98 112.29 1j3t s PHE 56 Ca 0.30 1.41 -0.30 0.00 -1.04 0.00 0.00 56.93 57.29 1j3t s PHE 56 Cb -0.10 0.30 -0.08 0.00 -1.21 0.00 0.00 43.02 41.93 1j3t s PHE 56 CO 0.23 -0.46 1.76 -2.14 -1.34 0.00 0.00 175.22 173.27 1j3t s PRO 57 N -0.40 4.17 0.36 1.99 0.02 -1.26 -0.24 135.00 139.63 1j3t s PRO 57 Ca -0.05 2.41 0.23 0.00 0.02 0.00 0.00 61.00 63.61 1j3t s PRO 57 Cb -0.03 -3.84 1.25 0.00 0.02 0.00 0.00 34.50 31.90 1j3t s PRO 57 CO 0.05 -0.84 1.70 1.57 -0.33 0.00 0.00 177.00 179.15 1j3t h LYS 58 N 9.27 0.00 0.00 5.54 2.10 -1.27 -2.45 116.57 129.76 1j3t h LYS 58 Ca -0.44 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.20 1j3t h LYS 58 Cb 1.21 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.54 1j3t h LYS 58 CO 0.94 0.00 -0.04 1.03 -2.00 0.00 0.00 179.45 179.38 1j3t h SER 59 N 0.00 0.00 0.43 7.07 0.87 -1.89 -1.19 113.55 118.83 1j3t h SER 59 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1j3t h SER 59 Cb 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1j3t h SER 59 CO 0.00 0.04 0.00 -1.22 -0.53 0.00 0.00 176.83 175.12 1j3t n TYR 60 N -4.14 0.00 -4.43 2.24 4.02 -0.92 -4.87 117.16 109.07 1j3t n TYR 60 Ca -0.03 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.63 1j3t n TYR 60 Cb 0.13 -0.29 -0.08 0.00 -0.02 0.00 0.00 39.34 39.08 1j3t n TYR 60 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1j3t s VAL 61 N -2.57 0.42 0.03 -0.72 -7.23 -0.45 -0.49 120.40 109.38 1j3t s VAL 61 Ca 0.21 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.40 1j3t s VAL 61 Cb 0.15 -2.42 -0.02 0.00 0.56 0.00 0.00 36.38 34.66 1j3t s VAL 61 CO 0.34 0.00 -0.07 -1.59 -0.31 0.00 0.00 175.10 173.47 1j3t s LYS 62 N -3.68 0.51 0.53 4.82 -2.85 -0.36 -4.85 119.74 113.85 1j3t s LYS 62 Ca 0.30 -0.56 -0.22 0.00 -1.00 0.00 0.00 55.97 54.49 1j3t s LYS 62 Cb 0.03 -0.36 -0.05 0.00 -2.06 0.00 0.00 37.83 35.39 1j3t s LYS 62 CO 0.18 0.08 1.29 0.42 0.10 0.00 0.00 175.35 177.42 1j3t s ILE 63 N -0.92 2.42 0.11 3.79 1.01 -1.26 -1.15 121.20 125.20 1j3t s ILE 63 Ca -0.05 0.31 0.07 0.00 0.00 0.00 0.00 60.65 60.97 1j3t s ILE 63 Cb -0.07 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 1j3t s ILE 63 CO 0.00 -0.01 -0.06 -0.63 0.00 0.00 0.00 174.94 174.24 1j3t s ILE 64 N -1.40 3.58 0.00 2.92 1.01 -1.13 -4.86 121.20 121.33 1j3t s ILE 64 Ca 0.70 -1.22 0.00 0.00 0.00 0.00 0.00 60.65 60.13 1j3t s ILE 64 Cb -0.36 -2.70 0.00 0.00 0.01 0.00 0.00 42.46 39.41 1j3t s ILE 64 CO 0.42 0.08 0.00 -0.81 0.00 0.00 0.00 174.94 174.63 1j3t n PRO 65 N 0.54 0.00 -4.38 2.79 -0.04 -1.26 -4.79 135.00 127.86 1j3t n PRO 65 Ca -0.12 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.07 1j3t n PRO 65 Cb 0.53 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.90 1j3t n PRO 65 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1j3t s GLY 66 N 0.00 2.45 0.00 0.55 0.00 -1.26 -4.95 107.32 104.11 1j3t s GLY 66 Ca 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 44.72 42.60 1j3t s GLY 66 CO 0.00 -2.01 1.00 1.44 0.00 0.00 0.00 173.10 173.53 1j3t n SER 67 N -1.12 2.89 -4.74 1.64 7.64 -1.26 -4.94 113.62 113.73 1j3t n SER 67 Ca -0.04 -1.75 -0.41 0.00 1.01 0.00 0.00 58.87 57.68 1j3t n SER 67 Cb 0.66 -0.53 -0.05 0.00 -1.01 0.00 0.00 64.21 63.28 1j3t n SER 67 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1j3t s GLU 68 N 0.22 4.70 -0.80 1.43 -1.05 -1.26 -3.90 118.70 118.05 1j3t s GLU 68 Ca 0.00 1.57 0.00 0.00 -0.15 0.00 0.00 54.97 56.39 1j3t s GLU 68 Cb 0.00 -3.31 0.00 0.00 -0.44 0.00 0.00 34.13 30.38 1j3t s GLU 68 CO 0.00 0.25 0.00 0.43 0.95 0.00 0.00 175.26 176.89 1j3t n SER 69 N 2.19 -3.45 0.00 0.83 7.64 -1.26 -4.82 113.62 114.76 1j3t n SER 69 Ca 0.01 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.08 1j3t n SER 69 Cb 0.47 -2.80 0.00 0.00 -1.01 0.00 0.00 64.21 60.87 1j3t n SER 69 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j3t n GLY 70 N 0.11 0.43 3.89 0.23 0.00 -1.25 -5.08 105.19 103.51 1j3t n GLY 70 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 1j3t n GLY 70 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1j3t s PRO 71 N 1.32 2.66 -0.38 1.61 0.04 -1.26 -5.06 135.00 133.93 1j3t s PRO 71 Ca 0.00 0.34 0.01 0.00 0.04 0.00 0.00 61.00 61.39 1j3t s PRO 71 Cb 0.00 -2.03 0.15 0.00 0.04 0.00 0.00 34.50 32.66 1j3t s PRO 71 CO 0.00 -1.13 0.25 0.45 0.04 0.00 0.00 177.00 176.60 1j3t s SER 72 N -4.41 2.73 -1.16 6.66 0.15 -1.26 -4.89 113.70 111.52 1j3t s SER 72 Ca 0.59 -2.45 -0.17 0.00 0.70 0.00 0.00 55.95 54.61 1j3t s SER 72 Cb -0.11 -0.49 -0.05 0.00 -1.71 0.00 0.00 66.02 63.66 1j3t s SER 72 CO 0.51 -0.27 2.11 -1.54 1.20 0.00 0.00 173.24 175.24 1j3t n SER 73 N 3.70 3.36 0.00 5.45 3.41 -1.26 -5.28 113.62 122.99 1j3t n SER 73 Ca 0.16 -2.76 0.12 0.00 -0.26 0.00 0.00 58.87 56.13 1j3t n SER 73 Cb 0.39 -1.42 0.74 0.00 -0.26 0.00 0.00 64.21 63.66 1j3t n SER 73 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49