#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3t n SER 2 N 0.00 -3.71 0.00 1.61 2.88 -1.26 -4.69 113.62 108.45 1j3t n SER 2 Ca 0.00 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1j3t n SER 2 Cb 0.00 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 1j3t n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1j3t n SER 3 N -3.48 0.00 0.00 -3.46 7.64 -1.26 -5.12 113.62 107.93 1j3t n SER 3 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1j3t n SER 3 Cb 0.03 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 1j3t n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j3t n GLY 4 N 2.58 3.16 1.11 0.23 0.00 -1.26 -5.13 105.19 105.87 1j3t n GLY 4 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -5.61 -3.88 1.61 7.64 -1.26 -4.83 113.62 107.29 1j3t n SER 5 Ca 0.00 0.68 -0.34 0.00 1.01 0.00 0.00 58.87 60.22 1j3t n SER 5 Cb 0.00 -2.53 0.01 0.00 -1.01 0.00 0.00 64.21 60.68 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 0.48 -3.95 0.18 6.43 7.64 -1.26 -4.89 113.62 118.25 1j3t n SER 6 Ca 0.00 -1.05 0.09 0.00 1.01 0.00 0.00 58.87 58.93 1j3t n SER 6 Cb 0.00 -1.42 0.10 0.00 -1.01 0.00 0.00 64.21 61.88 1j3t n SER 6 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1j3t h GLY 7 N -1.21 0.00 -1.22 0.23 0.00 -2.01 -3.43 103.07 95.43 1j3t h GLY 7 Ca -0.62 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.22 1j3t h GLY 7 CO 0.40 0.00 0.18 -1.34 0.00 0.00 0.00 176.54 175.79 1j3t s VAL 8 N -3.17 2.25 0.27 4.60 -7.23 -1.26 -5.09 120.40 110.77 1j3t s VAL 8 Ca 0.05 0.08 -0.06 0.00 -1.81 0.00 0.00 61.98 60.24 1j3t s VAL 8 Cb 0.06 -2.21 -0.01 0.00 0.56 0.00 0.00 36.38 34.78 1j3t s VAL 8 CO 0.71 -0.11 0.38 -0.70 -0.31 0.00 0.00 175.10 175.08 1j3t s GLU 9 N -4.66 1.58 1.18 4.82 2.12 -1.26 -5.16 118.70 117.32 1j3t s GLU 9 Ca 0.66 -1.53 -0.17 0.00 0.36 0.00 0.00 54.97 54.29 1j3t s GLU 9 Cb -0.22 0.41 0.21 0.00 0.26 0.00 0.00 34.13 34.78 1j3t s GLU 9 CO 0.59 -0.63 0.43 0.09 -0.54 0.00 0.00 175.26 175.20 1j3t n ASN 10 N -0.72 -2.59 -4.76 -1.70 3.02 -1.26 -4.98 115.26 102.28 1j3t n ASN 10 Ca 0.00 -0.29 -0.38 0.00 -0.03 0.00 0.00 54.58 53.88 1j3t n ASN 10 Cb 0.63 -1.01 0.02 0.00 -0.61 0.00 0.00 39.78 38.81 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 -3.60 3.91 0.09 3.41 2.96 -1.25 -4.84 118.68 119.37 1j3t s LEU 11 Ca 0.58 2.58 0.09 0.00 -0.22 0.00 0.00 54.13 57.16 1j3t s LEU 11 Cb -0.15 -4.26 -0.03 0.00 0.50 0.00 0.00 46.19 42.25 1j3t s LEU 11 CO 0.60 -1.31 -0.25 -0.54 -1.32 0.00 0.00 176.35 173.53 1j3t s LYS 12 N -2.83 1.46 -0.03 1.98 1.02 -1.26 0.13 119.74 120.21 1j3t s LYS 12 Ca 0.68 -1.19 0.02 0.00 0.02 0.00 0.00 55.97 55.51 1j3t s LYS 12 Cb -0.36 -1.77 0.01 0.00 -0.52 0.00 0.00 37.83 35.19 1j3t s LYS 12 CO 0.42 0.43 -0.08 0.00 -0.92 0.00 0.00 175.35 175.21 1j3t s ALA 13 N -0.96 0.85 -0.19 5.17 0.00 -0.74 -2.90 121.76 122.98 1j3t s ALA 13 Ca 0.11 -0.27 -0.25 0.00 0.00 0.00 0.00 51.96 51.55 1j3t s ALA 13 Cb -0.10 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 1j3t s ALA 13 CO 0.04 0.10 0.85 -1.14 0.00 0.00 0.00 175.76 175.62 1j3t s GLN 14 N 0.41 4.26 0.48 0.00 0.74 -0.09 -1.62 119.66 123.85 1j3t s GLN 14 Ca -0.07 1.04 -0.24 0.00 0.05 0.00 0.00 55.36 56.14 1j3t s GLN 14 Cb -0.11 -3.60 -0.07 0.00 1.10 0.00 0.00 33.01 30.33 1j3t s GLN 14 CO 0.01 -0.41 1.41 0.00 -0.55 0.00 0.00 175.29 175.75 1j3t s ALA 15 N 2.45 3.12 -0.44 1.58 0.00 0.35 -0.78 121.76 128.05 1j3t s ALA 15 Ca 0.38 1.44 0.16 0.00 0.00 0.00 0.00 51.96 53.94 1j3t s ALA 15 Cb -0.16 -3.59 -0.21 0.00 0.00 0.00 0.00 23.12 19.16 1j3t s ALA 15 CO 0.10 -1.26 0.54 1.28 0.00 0.00 0.00 175.76 176.42 1j3t n LEU 16 N -0.44 0.43 -3.75 0.00 4.77 0.62 -1.34 117.00 117.28 1j3t n LEU 16 Ca 0.07 -0.29 -0.13 0.00 -0.03 0.00 0.00 56.01 55.63 1j3t n LEU 16 Cb 0.43 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.43 1j3t n LEU 16 CO 0.57 0.11 0.03 0.00 -1.33 0.00 0.00 177.39 176.77 1j3t s SER 18 N -1.51 6.41 0.11 0.00 1.04 -1.26 -4.28 113.70 114.21 1j3t s SER 18 Ca -0.11 2.58 -0.25 0.00 0.48 0.00 0.00 55.95 58.65 1j3t s SER 18 Cb -0.04 -2.63 0.07 0.00 0.10 0.00 0.00 66.02 63.51 1j3t s SER 18 CO 0.03 -0.77 0.61 0.86 0.98 0.00 0.00 173.24 174.94 1j3t s TRP 19 N -1.28 -0.55 0.17 5.02 -0.00 -0.13 -4.92 118.94 117.25 1j3t s TRP 19 Ca 0.56 0.51 0.10 0.00 -0.00 0.00 0.00 56.10 57.27 1j3t s TRP 19 Cb -0.36 0.51 -0.04 0.00 -0.00 0.00 0.00 33.47 33.57 1j3t s TRP 19 CO 0.47 -0.78 -0.22 0.95 -0.00 0.00 0.00 176.95 177.37 1j3t s THR 20 N -3.10 2.08 0.63 5.86 -4.23 -1.26 -1.19 115.64 114.43 1j3t s THR 20 Ca -0.02 -1.93 -0.15 0.00 -1.18 0.00 0.00 61.69 58.41 1j3t s THR 20 Cb -0.01 -1.96 -0.02 0.00 1.34 0.00 0.00 72.50 71.86 1j3t s THR 20 CO -0.07 -0.18 1.09 0.00 -0.54 0.00 0.00 174.62 174.92 1j3t s ALA 21 N -1.74 2.58 0.21 3.99 0.00 -1.19 -4.85 121.76 120.77 1j3t s ALA 21 Ca 0.17 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.63 1j3t s ALA 21 Cb -0.07 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1j3t s ALA 21 CO 0.08 -1.07 0.00 1.63 0.00 0.00 0.00 175.76 176.39 1j3t n LYS 22 N -2.22 0.00 -1.98 0.00 4.76 -1.26 -5.04 118.16 112.43 1j3t n LYS 22 Ca 0.10 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.24 1j3t n LYS 22 Cb 0.52 -0.12 0.04 0.00 -1.84 0.00 0.00 35.03 33.63 1j3t n LYS 22 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1j3t s LYS 23 N -2.00 3.03 0.58 1.97 -0.14 -1.26 -4.99 119.74 116.93 1j3t s LYS 23 Ca 0.00 0.44 0.36 0.00 -1.36 0.00 0.00 55.97 55.41 1j3t s LYS 23 Cb 0.00 -2.08 1.75 0.00 -1.68 0.00 0.00 37.83 35.82 1j3t s LYS 23 CO 0.00 -0.87 2.14 -0.44 -0.76 0.00 0.00 175.35 175.41 1j3t h ASP 24 N -0.49 0.00 -0.57 2.83 5.19 -2.03 -2.08 116.42 119.27 1j3t h ASP 24 Ca -0.45 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 1j3t h ASP 24 Cb 1.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.75 1j3t h ASP 24 CO 0.63 0.03 0.00 -0.46 -3.12 0.00 0.00 179.24 176.32 1j3t n ASN 25 N -3.21 3.05 -4.89 6.45 6.94 -1.26 -4.95 115.26 117.40 1j3t n ASN 25 Ca -0.01 -2.00 -0.29 0.00 -0.02 0.00 0.00 54.58 52.25 1j3t n ASN 25 Cb 0.21 -0.38 -0.03 0.00 -2.36 0.00 0.00 39.78 37.22 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 -1.25 3.48 0.57 -2.53 3.76 -0.78 -0.37 115.29 118.17 1j3t s HIS 26 Ca 0.38 0.91 -0.08 0.00 -0.15 0.00 0.00 55.06 56.12 1j3t s HIS 26 Cb 0.20 -2.33 -0.03 0.00 1.11 0.00 0.00 32.58 31.53 1j3t s HIS 26 CO 0.26 -0.05 0.92 -1.17 -0.85 0.00 0.00 174.74 173.85 1j3t s LEU 27 N -3.86 3.36 -0.06 0.89 1.98 -0.26 -4.49 118.68 116.25 1j3t s LEU 27 Ca 0.49 1.13 -0.01 0.00 -2.89 0.00 0.00 54.13 52.84 1j3t s LEU 27 Cb -0.10 -4.10 0.03 0.00 0.66 0.00 0.00 46.19 42.68 1j3t s LEU 27 CO 0.32 -0.81 0.01 0.54 -1.89 0.00 0.00 176.35 174.52 1j3t s ASN 28 N -4.18 1.27 0.34 3.68 2.20 -1.26 -3.13 114.94 113.85 1j3t s ASN 28 Ca 0.52 -0.04 0.05 0.00 -0.94 0.00 0.00 52.86 52.45 1j3t s ASN 28 Cb -0.11 -0.34 -0.03 0.00 -2.00 0.00 0.00 41.25 38.77 1j3t s ASN 28 CO 0.49 -0.18 0.19 0.72 -2.94 0.00 0.00 177.10 175.38 1j3t s PHE 29 N 1.81 1.69 0.43 1.54 -0.12 -0.33 -4.97 117.98 118.02 1j3t s PHE 29 Ca 0.02 -1.46 0.04 0.00 -0.05 0.00 0.00 56.93 55.48 1j3t s PHE 29 Cb -0.12 -0.87 -0.05 0.00 -0.63 0.00 0.00 43.02 41.34 1j3t s PHE 29 CO -0.04 -0.60 0.03 -1.12 -0.05 0.00 0.00 175.22 173.45 1j3t s SER 30 N -3.43 3.55 -0.22 1.98 0.01 -1.26 -0.95 113.70 113.39 1j3t s SER 30 Ca 0.34 -1.50 -0.29 0.00 1.31 0.00 0.00 55.95 55.82 1j3t s SER 30 Cb 0.03 0.05 -0.03 0.00 0.21 0.00 0.00 66.02 66.28 1j3t s SER 30 CO 0.20 -0.66 1.66 -0.75 0.41 0.00 0.00 173.24 174.11 1j3t s LYS 31 N -3.79 3.76 -0.08 12.44 2.20 -1.26 -1.82 119.74 131.17 1j3t s LYS 31 Ca 0.25 1.70 0.00 0.00 -0.36 0.00 0.00 55.97 57.56 1j3t s LYS 31 Cb 0.06 -4.06 0.00 0.00 -1.51 0.00 0.00 37.83 32.32 1j3t s LYS 31 CO 0.12 -1.34 0.00 0.72 -0.36 0.00 0.00 175.35 174.49 1j3t n HIS 32 N 8.63 0.00 -0.89 4.03 8.25 -0.45 -4.94 115.22 129.85 1j3t n HIS 32 Ca 0.19 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.34 1j3t n HIS 32 Cb 0.45 -0.43 0.14 0.00 1.12 0.00 0.00 29.99 31.28 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 -2.43 3.35 -0.19 0.41 1.11 -0.76 -4.69 116.67 113.47 1j3t s ASP 33 Ca 0.00 2.15 0.01 0.00 0.18 0.00 0.00 52.55 54.89 1j3t s ASP 33 Cb 0.00 -2.56 0.02 0.00 1.07 0.00 0.00 42.92 41.45 1j3t s ASP 33 CO 0.00 -2.82 -0.19 -0.63 1.18 0.00 0.00 175.17 172.72 1j3t s ILE 34 N -2.60 2.15 -0.08 0.77 -1.09 -1.26 -0.49 121.20 118.60 1j3t s ILE 34 Ca 0.67 -0.94 0.04 0.00 -2.23 0.00 0.00 60.65 58.19 1j3t s ILE 34 Cb -0.23 -1.93 -0.01 0.00 -1.58 0.00 0.00 42.46 38.72 1j3t s ILE 34 CO 0.56 0.50 -0.22 -0.63 -1.23 0.00 0.00 174.94 173.92 1j3t s ILE 35 N 1.29 2.28 -0.47 2.92 1.09 -0.64 -4.78 121.20 122.90 1j3t s ILE 35 Ca 0.04 -0.97 -0.28 0.00 -1.10 0.00 0.00 60.65 58.35 1j3t s ILE 35 Cb -0.13 -1.87 -0.01 0.00 -1.06 0.00 0.00 42.46 39.39 1j3t s ILE 35 CO -0.12 0.56 1.75 -0.89 -0.10 0.00 0.00 174.94 176.14 1j3t s THR 36 N 0.01 3.50 0.23 2.92 2.01 0.16 -1.79 115.64 122.68 1j3t s THR 36 Ca -0.08 0.43 -0.30 0.00 0.31 0.00 0.00 61.69 62.06 1j3t s THR 36 Cb -0.15 -3.89 -0.09 0.00 0.01 0.00 0.00 72.50 68.39 1j3t s THR 36 CO 0.05 -0.71 0.98 -0.69 -0.69 0.00 0.00 174.62 173.57 1j3t s VAL 37 N 7.56 4.00 0.00 3.82 1.01 0.12 -0.21 120.40 136.70 1j3t s VAL 37 Ca 0.70 1.94 0.00 0.00 0.00 0.00 0.00 61.98 64.63 1j3t s VAL 37 Cb -0.16 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 31.98 1j3t s VAL 37 CO 0.28 0.44 0.00 0.18 0.00 0.00 0.00 175.10 175.99 1j3t n LEU 38 N 1.65 0.00 -4.73 3.92 4.77 0.13 -3.76 117.00 118.98 1j3t n LEU 38 Ca -0.01 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.67 1j3t n LEU 38 Cb 0.47 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.49 1j3t n LEU 38 CO 0.51 -0.37 -0.30 -0.70 -1.33 0.00 0.00 177.39 175.20 1j3t s GLU 39 N -0.74 2.70 -0.26 3.23 2.56 -1.14 -4.95 118.70 120.11 1j3t s GLU 39 Ca 0.00 -0.79 -0.04 0.00 0.00 0.00 0.00 54.97 54.14 1j3t s GLU 39 Cb 0.00 -2.62 0.10 0.00 2.00 0.00 0.00 34.13 33.61 1j3t s GLU 39 CO 0.00 0.54 0.15 -0.65 -0.56 0.00 0.00 175.26 174.74 1j3t s GLN 40 N -2.43 0.18 0.03 4.30 -0.21 -1.26 -0.26 119.66 120.00 1j3t s GLN 40 Ca 0.28 -0.33 -0.01 0.00 0.02 0.00 0.00 55.36 55.32 1j3t s GLN 40 Cb -0.12 -1.24 0.01 0.00 1.00 0.00 0.00 33.01 32.66 1j3t s GLN 40 CO 0.20 -0.92 0.04 1.04 -2.12 0.00 0.00 175.29 173.54 1j3t n GLN 41 N 5.27 -0.01 -0.20 2.91 6.02 0.12 -4.98 117.38 126.50 1j3t n GLN 41 Ca -0.06 -0.07 -0.00 0.00 -0.01 0.00 0.00 57.00 56.86 1j3t n GLN 41 Cb 0.45 -0.04 0.07 0.00 1.02 0.00 0.00 30.24 31.73 1j3t n GLN 41 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 1j3t h GLU 42 N 0.00 0.03 0.00 -1.09 4.11 -2.02 -3.35 114.58 112.26 1j3t h GLU 42 Ca -0.01 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1j3t h GLU 42 Cb 0.04 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1j3t h GLU 42 CO 0.01 0.02 0.00 0.09 0.07 0.00 0.00 179.01 179.20 1j3t n ASN 43 N -5.38 0.00 -4.59 3.06 3.02 -1.26 -5.07 115.26 105.03 1j3t n ASN 43 Ca 0.08 -0.56 -0.34 0.00 -0.03 0.00 0.00 54.58 53.72 1j3t n ASN 43 Cb 0.33 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.39 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 0.00 3.06 0.04 3.10 0.52 -1.26 -0.75 118.94 123.66 1j3t s TRP 44 Ca 0.00 -0.03 0.09 0.00 0.02 0.00 0.00 56.10 56.18 1j3t s TRP 44 Cb 0.00 -1.85 -0.03 0.00 -1.15 0.00 0.00 33.47 30.45 1j3t s TRP 44 CO 0.00 0.24 -0.25 -1.58 0.02 0.00 0.00 176.95 175.38 1j3t s TRP 45 N -0.35 2.23 -0.03 -1.98 0.51 0.01 -0.70 118.94 118.63 1j3t s TRP 45 Ca 0.06 -0.41 -0.12 0.00 -2.12 0.00 0.00 56.10 53.51 1j3t s TRP 45 Cb -0.12 -1.34 -0.05 0.00 -0.81 0.00 0.00 33.47 31.14 1j3t s TRP 45 CO 0.02 0.11 0.33 0.12 -0.51 0.00 0.00 176.95 177.02 1j3t s PHE 46 N -0.79 3.69 0.29 -1.98 5.36 0.64 -0.56 117.98 124.61 1j3t s PHE 46 Ca 0.11 0.85 -0.19 0.00 -0.96 0.00 0.00 56.93 56.74 1j3t s PHE 46 Cb -0.10 -2.18 0.06 0.00 -0.34 0.00 0.00 43.02 40.46 1j3t s PHE 46 CO 0.02 0.67 0.88 0.20 -1.46 0.00 0.00 175.22 175.52 1j3t s GLY 47 N -1.11 0.17 -0.05 13.12 0.00 -0.25 -0.69 107.32 118.52 1j3t s GLY 47 Ca 0.22 -0.48 0.01 0.00 0.00 0.00 0.00 44.72 44.48 1j3t s GLY 47 CO 0.11 0.63 -0.07 1.85 0.00 0.00 0.00 173.10 175.62 1j3t s GLU 48 N -2.54 1.03 -0.05 2.90 2.12 0.71 -1.04 118.70 121.83 1j3t s GLU 48 Ca 0.17 -0.19 -0.10 0.00 0.36 0.00 0.00 54.97 55.20 1j3t s GLU 48 Cb -0.04 -0.96 0.02 0.00 0.26 0.00 0.00 34.13 33.41 1j3t s GLU 48 CO 0.08 -0.04 0.24 0.54 -0.54 0.00 0.00 175.26 175.55 1j3t s VAL 49 N 0.78 0.03 0.00 3.70 0.11 -1.26 -0.66 120.40 123.10 1j3t s VAL 49 Ca -0.12 -0.27 0.00 0.00 -2.93 0.00 0.00 61.98 58.66 1j3t s VAL 49 Cb -0.14 -0.44 0.00 0.00 -1.53 0.00 0.00 36.38 34.26 1j3t s VAL 49 CO 0.01 -0.15 0.00 1.41 -3.33 0.00 0.00 175.10 173.04 1j3t n HIS 50 N 2.19 0.00 0.00 1.54 8.25 -1.26 -0.85 115.22 125.09 1j3t n HIS 50 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 1j3t n HIS 50 Cb 0.57 -1.36 0.00 0.00 1.12 0.00 0.00 29.99 30.32 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 -0.77 1.39 0.00 -1.41 0.00 -1.26 -5.09 105.19 98.06 1j3t n GLY 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -3.05 2.76 -0.02 0.00 -0.03 -5.02 105.19 99.83 1j3t n GLY 52 Ca 0.00 0.31 -0.04 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.49 -3.53 -3.67 1.61 1.74 -1.20 -4.97 116.66 105.15 1j3t n ARG 53 Ca 0.00 2.75 -0.04 0.00 -0.77 0.00 0.00 57.85 59.79 1j3t n ARG 53 Cb 0.00 -3.82 -0.01 0.00 -1.02 0.00 0.00 32.46 27.61 1j3t n ARG 53 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1j3t s GLY 54 N -0.56 -0.31 0.31 -0.13 0.00 -0.21 -4.76 107.32 101.66 1j3t s GLY 54 Ca -0.19 0.45 -0.14 0.00 0.00 0.00 0.00 44.72 44.85 1j3t s GLY 54 CO 0.56 0.11 0.70 -0.98 0.00 0.00 0.00 173.10 173.49 1j3t s TRP 55 N -3.13 3.39 0.12 1.90 0.52 0.51 -1.09 118.94 121.15 1j3t s TRP 55 Ca 0.10 1.13 -0.21 0.00 0.02 0.00 0.00 56.10 57.15 1j3t s TRP 55 Cb -0.01 -2.47 0.05 0.00 -1.15 0.00 0.00 33.47 29.90 1j3t s TRP 55 CO -0.01 0.12 0.52 -0.59 0.02 0.00 0.00 176.95 177.01 1j3t s PHE 56 N -1.97 -0.41 -0.10 -1.98 -0.12 0.27 -1.10 117.98 112.57 1j3t s PHE 56 Ca 0.53 0.24 -0.30 0.00 -0.05 0.00 0.00 56.93 57.35 1j3t s PHE 56 Cb -0.10 0.41 -0.02 0.00 -0.63 0.00 0.00 43.02 42.67 1j3t s PHE 56 CO 0.19 -0.75 1.24 -1.25 -0.05 0.00 0.00 175.22 174.60 1j3t s PRO 57 N -3.39 4.29 0.64 1.99 0.04 -1.26 -0.81 135.00 136.49 1j3t s PRO 57 Ca -0.00 1.69 0.41 0.00 0.04 0.00 0.00 61.00 63.14 1j3t s PRO 57 Cb 0.00 -3.66 2.15 0.00 0.04 0.00 0.00 34.50 33.03 1j3t s PRO 57 CO -0.09 -0.58 2.27 1.57 0.04 0.00 0.00 177.00 180.21 1j3t h LYS 58 N 7.84 0.00 0.00 4.56 2.10 -1.29 -2.30 116.57 127.49 1j3t h LYS 58 Ca -0.31 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.34 1j3t h LYS 58 Cb 1.13 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.46 1j3t h LYS 58 CO 0.92 0.00 -0.01 0.66 -2.00 0.00 0.00 179.45 179.03 1j3t h SER 59 N 0.00 0.00 0.17 7.07 4.64 -1.91 -1.38 113.55 122.14 1j3t h SER 59 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j3t h SER 59 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1j3t h SER 59 CO 0.00 0.01 -0.06 -1.22 -0.87 0.00 0.00 176.83 174.69 1j3t n TYR 60 N -3.19 0.00 -4.50 4.77 4.02 -0.86 -4.95 117.16 112.44 1j3t n TYR 60 Ca -0.02 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.61 1j3t n TYR 60 Cb 0.11 -0.09 -0.08 0.00 -0.02 0.00 0.00 39.34 39.26 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 -2.24 0.47 -0.00 -0.72 -7.23 -0.52 -0.28 120.40 109.88 1j3t s VAL 61 Ca 0.36 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.54 1j3t s VAL 61 Cb 0.21 -2.31 -0.00 0.00 0.56 0.00 0.00 36.38 34.83 1j3t s VAL 61 CO 0.41 0.00 -0.03 -1.59 -0.31 0.00 0.00 175.10 173.58 1j3t s LYS 62 N -3.64 0.26 0.53 4.82 -2.85 0.04 -4.82 119.74 114.08 1j3t s LYS 62 Ca 0.24 -0.12 -0.22 0.00 -1.00 0.00 0.00 55.97 54.87 1j3t s LYS 62 Cb 0.02 -0.25 -0.05 0.00 -2.06 0.00 0.00 37.83 35.48 1j3t s LYS 62 CO 0.16 0.07 1.29 0.42 0.10 0.00 0.00 175.35 177.39 1j3t s ILE 63 N -0.09 2.40 0.15 3.79 1.01 -1.26 -0.91 121.20 126.29 1j3t s ILE 63 Ca 0.01 0.30 0.10 0.00 0.00 0.00 0.00 60.65 61.06 1j3t s ILE 63 Cb -0.01 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 1j3t s ILE 63 CO -0.00 -0.01 -0.18 -0.63 0.00 0.00 0.00 174.94 174.12 1j3t s ILE 64 N -1.39 2.78 0.13 2.92 1.01 -1.14 -4.85 121.20 120.66 1j3t s ILE 64 Ca 0.70 -1.67 0.15 0.00 0.00 0.00 0.00 60.65 59.83 1j3t s ILE 64 Cb -0.36 -2.31 0.05 0.00 0.01 0.00 0.00 42.46 39.85 1j3t s ILE 64 CO 0.43 0.00 1.61 1.55 0.00 0.00 0.00 174.94 178.53 1j3t h PRO 65 N 3.44 0.00 0.00 2.79 0.13 -1.90 -3.45 132.00 133.01 1j3t h PRO 65 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1j3t h PRO 65 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1j3t h PRO 65 CO 0.48 0.52 0.00 0.41 -0.23 0.00 0.00 178.00 179.18 1j3t n GLY 66 N 0.52 -0.69 0.24 1.56 0.00 -1.26 -4.91 105.19 100.64 1j3t n GLY 66 Ca -0.00 -1.09 0.12 0.00 0.00 0.00 0.00 46.02 45.05 1j3t n GLY 66 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1j3t h SER 67 N 0.00 0.00 -3.24 1.61 4.64 -2.02 -3.46 113.55 111.08 1j3t h SER 67 Ca 0.00 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.67 1j3t h SER 67 Cb 0.00 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 61.92 1j3t h SER 67 CO 0.00 0.17 -0.77 -0.70 -0.87 0.00 0.00 176.83 174.66 1j3t s GLU 68 N -3.69 1.83 0.00 4.77 2.56 -1.26 -5.08 118.70 117.83 1j3t s GLU 68 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 54.97 53.65 1j3t s GLU 68 Cb 0.10 -2.06 0.00 0.00 2.00 0.00 0.00 34.13 34.18 1j3t s GLU 68 CO 0.61 0.44 0.00 0.45 -0.56 0.00 0.00 175.26 176.20 1j3t n SER 69 N 0.30 0.00 -4.95 -1.70 2.88 -1.26 -4.74 113.62 104.16 1j3t n SER 69 Ca -0.13 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.21 1j3t n SER 69 Cb 0.55 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.05 1j3t n SER 69 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1j3t s GLY 70 N -0.87 1.83 0.84 0.46 0.00 -1.26 -5.13 107.32 103.19 1j3t s GLY 70 Ca 0.00 -1.45 -0.14 0.00 0.00 0.00 0.00 44.72 43.13 1j3t s GLY 70 CO 0.00 -1.14 0.95 -1.55 0.00 0.00 0.00 173.10 171.36 1j3t n PRO 71 N -2.34 -1.70 -3.75 2.90 -0.04 -1.26 -5.14 135.00 123.68 1j3t n PRO 71 Ca 0.09 -1.49 -0.10 0.00 -0.04 0.00 0.00 63.50 61.97 1j3t n PRO 71 Cb 0.60 -1.14 -0.06 0.00 -0.04 0.00 0.00 33.50 32.85 1j3t n PRO 71 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1j3t s SER 72 N -4.34 -0.07 0.03 3.54 1.04 -1.26 -5.18 113.70 107.46 1j3t s SER 72 Ca 0.57 -0.43 0.01 0.00 0.48 0.00 0.00 55.95 56.57 1j3t s SER 72 Cb -0.03 0.40 -0.02 0.00 0.10 0.00 0.00 66.02 66.46 1j3t s SER 72 CO 0.41 -0.75 -0.05 -0.44 0.98 0.00 0.00 173.24 173.39 1j3t s SER 73 N -2.68 0.49 0.00 7.02 0.01 -1.26 -5.31 113.70 111.97 1j3t s SER 73 Ca 0.02 -0.59 0.28 0.00 1.31 0.00 0.00 55.95 56.97 1j3t s SER 73 Cb 0.03 0.09 0.99 0.00 0.21 0.00 0.00 66.02 67.34 1j3t s SER 73 CO -0.10 -0.31 1.71 0.61 0.41 0.00 0.00 173.24 175.56