#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 0.00 0.00 1.61 7.64 -1.26 -5.00 113.62 116.61 1j3t n SER 2 Ca 0.00 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.25 1j3t n SER 2 Cb 0.00 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 1j3t n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1j3t n SER 3 N -1.43 0.00 -2.31 6.43 7.64 -1.26 -4.94 113.62 117.75 1j3t n SER 3 Ca 0.04 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.80 1j3t n SER 3 Cb 0.12 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.36 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 0.00 0.05 0.00 0.23 0.00 -1.26 -4.97 105.19 99.23 1j3t n GLY 4 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.61 0.00 -4.72 1.61 7.64 -1.26 -5.08 113.62 110.20 1j3t n SER 5 Ca -0.08 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.38 1j3t n SER 5 Cb 0.56 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.73 1j3t n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1j3t s SER 6 N 1.00 6.82 0.00 6.43 0.01 -1.26 -4.97 113.70 121.72 1j3t s SER 6 Ca 0.00 2.36 0.00 0.00 1.31 0.00 0.00 55.95 59.62 1j3t s SER 6 Cb 0.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1j3t s SER 6 CO 0.00 -0.64 0.00 0.61 0.41 0.00 0.00 173.24 173.62 1j3t n GLY 7 N 3.30 0.46 0.45 3.44 0.00 -1.26 -5.13 105.19 106.44 1j3t n GLY 7 Ca 0.11 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 0.00 -4.18 1.61 0.24 -1.26 -5.06 118.33 109.68 1j3t n VAL 8 Ca 0.00 0.03 -0.17 0.00 -2.04 0.00 0.00 64.34 62.16 1j3t n VAL 8 Cb 0.00 -0.15 -0.06 0.00 -1.47 0.00 0.00 33.84 32.16 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 -1.75 1.82 1.26 7.34 2.12 -1.26 -5.16 118.70 123.07 1j3t s GLU 9 Ca 0.00 -1.87 -0.18 0.00 0.36 0.00 0.00 54.97 53.27 1j3t s GLU 9 Cb 0.00 0.38 0.28 0.00 0.26 0.00 0.00 34.13 35.05 1j3t s GLU 9 CO 0.00 -0.71 0.68 0.09 -0.54 0.00 0.00 175.26 174.77 1j3t n ASN 10 N -1.44 -3.02 -4.75 -1.70 3.02 -1.26 -4.95 115.26 101.16 1j3t n ASN 10 Ca 0.04 -0.48 -0.37 0.00 -0.03 0.00 0.00 54.58 53.75 1j3t n ASN 10 Cb 0.62 -1.03 0.03 0.00 -0.61 0.00 0.00 39.78 38.79 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 -5.31 3.77 -0.01 3.41 2.96 -1.24 -4.85 118.68 117.41 1j3t s LEU 11 Ca 0.61 2.47 0.04 0.00 -0.22 0.00 0.00 54.13 57.03 1j3t s LEU 11 Cb -0.15 -4.46 -0.01 0.00 0.50 0.00 0.00 46.19 42.07 1j3t s LEU 11 CO 0.57 -1.49 -0.13 -0.54 -1.32 0.00 0.00 176.35 173.44 1j3t s LYS 12 N -3.12 1.11 -0.05 1.98 1.02 -1.26 -0.02 119.74 119.41 1j3t s LYS 12 Ca 0.74 -0.48 0.01 0.00 0.02 0.00 0.00 55.97 56.26 1j3t s LYS 12 Cb -0.33 -1.07 0.02 0.00 -0.52 0.00 0.00 37.83 35.94 1j3t s LYS 12 CO 0.37 0.28 -0.04 0.00 -0.92 0.00 0.00 175.35 175.04 1j3t s ALA 13 N -0.27 0.67 -0.05 5.17 0.00 -0.70 -3.01 121.76 123.56 1j3t s ALA 13 Ca 0.04 -0.06 -0.22 0.00 0.00 0.00 0.00 51.96 51.73 1j3t s ALA 13 Cb -0.06 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.56 1j3t s ALA 13 CO -0.00 -0.07 0.64 -1.14 0.00 0.00 0.00 175.76 175.18 1j3t s GLN 14 N 1.04 4.39 0.59 0.00 0.74 -0.55 -1.54 119.66 124.33 1j3t s GLN 14 Ca -0.09 0.78 -0.18 0.00 0.05 0.00 0.00 55.36 55.91 1j3t s GLN 14 Cb -0.14 -3.41 -0.03 0.00 1.10 0.00 0.00 33.01 30.53 1j3t s GLN 14 CO -0.01 0.18 1.15 0.00 -0.55 0.00 0.00 175.29 176.06 1j3t s ALA 15 N 0.43 2.57 -0.90 1.58 0.00 0.03 -1.36 121.76 124.11 1j3t s ALA 15 Ca 0.34 0.81 0.12 0.00 0.00 0.00 0.00 51.96 53.23 1j3t s ALA 15 Cb -0.18 -3.38 -0.06 0.00 0.00 0.00 0.00 23.12 19.50 1j3t s ALA 15 CO 0.17 -1.06 0.63 1.28 0.00 0.00 0.00 175.76 176.78 1j3t n LEU 16 N -1.72 1.02 -3.99 0.00 4.77 0.39 -2.30 117.00 115.18 1j3t n LEU 16 Ca 0.12 -0.65 -0.10 0.00 -0.03 0.00 0.00 56.01 55.35 1j3t n LEU 16 Cb 0.51 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.55 1j3t n LEU 16 CO 0.44 0.21 0.22 0.00 -1.33 0.00 0.00 177.39 176.94 1j3t s SER 18 N -3.05 6.49 -0.30 0.00 1.04 -1.26 -3.01 113.70 113.61 1j3t s SER 18 Ca 0.22 1.39 -0.12 0.00 0.48 0.00 0.00 55.95 57.93 1j3t s SER 18 Cb -0.01 -2.44 0.13 0.00 0.10 0.00 0.00 66.02 63.80 1j3t s SER 18 CO 0.11 -0.61 0.75 0.86 0.98 0.00 0.00 173.24 175.33 1j3t s TRP 19 N -2.71 -1.11 0.79 5.02 -0.00 -0.12 -4.90 118.94 115.91 1j3t s TRP 19 Ca 0.55 1.97 -0.12 0.00 -0.00 0.00 0.00 56.10 58.51 1j3t s TRP 19 Cb -0.10 0.67 0.07 0.00 -0.00 0.00 0.00 33.47 34.10 1j3t s TRP 19 CO 0.37 -0.55 1.10 0.95 -0.00 0.00 0.00 176.95 178.83 1j3t s THR 20 N 2.56 2.99 1.08 5.86 -4.23 -1.26 -1.24 115.64 121.40 1j3t s THR 20 Ca -0.06 0.32 -0.13 0.00 -1.18 0.00 0.00 61.69 60.64 1j3t s THR 20 Cb -0.09 -3.12 0.23 0.00 1.34 0.00 0.00 72.50 70.86 1j3t s THR 20 CO -0.19 -0.42 1.07 0.00 -0.54 0.00 0.00 174.62 174.54 1j3t s ALA 21 N -3.22 0.38 0.21 3.99 0.00 -1.15 -4.78 121.76 117.20 1j3t s ALA 21 Ca 0.61 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.20 1j3t s ALA 21 Cb -0.14 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1j3t s ALA 21 CO 0.53 -3.28 0.00 1.63 0.00 0.00 0.00 175.76 174.64 1j3t n LYS 22 N -4.50 0.00 -0.49 0.00 4.01 -1.26 -5.02 118.16 110.90 1j3t n LYS 22 Ca 0.05 0.00 -0.28 0.00 -0.51 0.00 0.00 58.31 57.57 1j3t n LYS 22 Cb 0.57 0.00 0.27 0.00 -0.51 0.00 0.00 35.03 35.35 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 -1.67 -1.32 0.13 1.97 -0.14 -1.26 -4.93 119.74 112.52 1j3t s LYS 23 Ca 0.00 0.76 -0.26 0.00 -1.36 0.00 0.00 55.97 55.10 1j3t s LYS 23 Cb 0.00 -1.51 -0.04 0.00 -1.68 0.00 0.00 37.83 34.60 1j3t s LYS 23 CO 0.00 -3.97 1.61 0.38 -0.76 0.00 0.00 175.35 172.61 1j3t h ASP 24 N -2.80 -0.96 -3.77 2.83 2.03 -2.03 -3.21 116.42 108.52 1j3t h ASP 24 Ca -0.62 0.13 -0.72 0.00 -0.73 0.00 0.00 57.03 55.09 1j3t h ASP 24 Cb 1.34 0.40 -0.33 0.00 -0.83 0.00 0.00 39.33 39.91 1j3t h ASP 24 CO 0.49 -0.36 -0.11 0.21 -1.03 0.00 0.00 179.24 178.43 1j3t s ASN 25 N -4.89 5.95 0.11 4.15 3.84 -1.26 -4.99 114.94 117.85 1j3t s ASN 25 Ca -0.15 -3.21 0.06 0.00 0.21 0.00 0.00 52.86 49.77 1j3t s ASN 25 Cb 0.10 -1.97 -0.04 0.00 -0.55 0.00 0.00 41.25 38.80 1j3t s ASN 25 CO 0.66 -0.33 -0.16 -1.00 -2.79 0.00 0.00 177.10 173.48 1j3t s HIS 26 N -0.61 1.47 0.61 0.43 3.76 -1.22 -4.10 115.29 115.64 1j3t s HIS 26 Ca 0.22 -0.50 -0.09 0.00 -0.15 0.00 0.00 55.06 54.54 1j3t s HIS 26 Cb -0.13 -0.78 -0.01 0.00 1.11 0.00 0.00 32.58 32.77 1j3t s HIS 26 CO -0.08 0.16 0.98 -1.17 -0.85 0.00 0.00 174.74 173.77 1j3t s LEU 27 N -2.25 3.21 -0.06 0.89 1.98 0.22 -4.39 118.68 118.28 1j3t s LEU 27 Ca 0.07 1.09 0.01 0.00 -2.89 0.00 0.00 54.13 52.41 1j3t s LEU 27 Cb -0.07 -4.00 0.02 0.00 0.66 0.00 0.00 46.19 42.80 1j3t s LEU 27 CO 0.03 -0.99 -0.06 0.54 -1.89 0.00 0.00 176.35 173.98 1j3t s ASN 28 N -4.25 1.43 0.29 3.68 2.20 -1.26 -2.92 114.94 114.12 1j3t s ASN 28 Ca 0.54 -0.19 0.03 0.00 -0.94 0.00 0.00 52.86 52.31 1j3t s ASN 28 Cb -0.11 -0.60 -0.04 0.00 -2.00 0.00 0.00 41.25 38.51 1j3t s ASN 28 CO 0.50 -0.06 0.17 0.72 -2.94 0.00 0.00 177.10 175.49 1j3t s PHE 29 N 1.14 1.56 0.40 1.54 -0.12 -0.38 -4.91 117.98 117.22 1j3t s PHE 29 Ca -0.07 -1.42 0.07 0.00 -0.05 0.00 0.00 56.93 55.46 1j3t s PHE 29 Cb -0.14 -0.80 -0.08 0.00 -0.63 0.00 0.00 43.02 41.37 1j3t s PHE 29 CO -0.01 -0.59 0.01 -1.12 -0.05 0.00 0.00 175.22 173.46 1j3t s SER 30 N -3.35 3.75 -0.42 1.98 0.01 -1.26 -0.94 113.70 113.46 1j3t s SER 30 Ca 0.37 -1.36 -0.28 0.00 1.31 0.00 0.00 55.95 55.98 1j3t s SER 30 Cb 0.05 -0.37 -0.01 0.00 0.21 0.00 0.00 66.02 65.89 1j3t s SER 30 CO 0.18 -0.45 1.73 -0.75 0.41 0.00 0.00 173.24 174.36 1j3t s LYS 31 N -3.72 3.20 0.00 12.44 2.20 -1.16 -2.26 119.74 130.43 1j3t s LYS 31 Ca 0.35 1.10 0.00 0.00 -0.36 0.00 0.00 55.97 57.06 1j3t s LYS 31 Cb 0.10 -4.21 0.00 0.00 -1.51 0.00 0.00 37.83 32.21 1j3t s LYS 31 CO 0.18 -2.02 0.00 0.72 -0.36 0.00 0.00 175.35 173.86 1j3t n HIS 32 N 10.60 0.00 -2.14 4.03 8.25 -0.97 -4.93 115.22 130.06 1j3t n HIS 32 Ca 0.21 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.25 1j3t n HIS 32 Cb 0.48 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.57 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 -2.29 6.81 -0.02 0.41 1.11 -0.96 -4.64 116.67 117.10 1j3t s ASP 33 Ca 0.00 2.54 -0.29 0.00 0.18 0.00 0.00 52.55 54.98 1j3t s ASP 33 Cb 0.00 -2.62 -0.03 0.00 1.07 0.00 0.00 42.92 41.34 1j3t s ASP 33 CO 0.00 -0.57 0.93 -0.63 1.18 0.00 0.00 175.17 176.08 1j3t s ILE 34 N -0.21 4.90 -0.10 0.77 -1.09 -1.26 -0.79 121.20 123.41 1j3t s ILE 34 Ca 0.56 1.95 0.04 0.00 -2.23 0.00 0.00 60.65 60.96 1j3t s ILE 34 Cb -0.39 -4.27 -0.00 0.00 -1.58 0.00 0.00 42.46 36.22 1j3t s ILE 34 CO 0.43 0.17 -0.23 -0.63 -1.23 0.00 0.00 174.94 173.45 1j3t s ILE 35 N 1.02 2.17 -0.39 2.92 1.09 -0.59 -4.78 121.20 122.63 1j3t s ILE 35 Ca 0.49 -0.98 -0.28 0.00 -1.10 0.00 0.00 60.65 58.78 1j3t s ILE 35 Cb -0.20 -1.83 -0.01 0.00 -1.06 0.00 0.00 42.46 39.35 1j3t s ILE 35 CO 0.26 0.56 1.69 -0.89 -0.10 0.00 0.00 174.94 176.46 1j3t s THR 36 N 0.35 3.58 0.18 2.92 2.01 -0.23 -1.73 115.64 122.73 1j3t s THR 36 Ca -0.18 0.57 -0.30 0.00 0.31 0.00 0.00 61.69 62.09 1j3t s THR 36 Cb -0.18 -3.85 -0.08 0.00 0.01 0.00 0.00 72.50 68.40 1j3t s THR 36 CO 0.08 -0.59 1.06 -0.69 -0.69 0.00 0.00 174.62 173.80 1j3t s VAL 37 N 6.74 3.95 0.00 3.82 1.01 0.98 -0.63 120.40 136.26 1j3t s VAL 37 Ca 0.73 1.72 0.00 0.00 0.00 0.00 0.00 61.98 64.43 1j3t s VAL 37 Cb -0.19 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.09 1j3t s VAL 37 CO 0.32 0.32 0.00 0.18 0.00 0.00 0.00 175.10 175.91 1j3t n LEU 38 N 2.21 0.00 -3.66 3.92 4.77 0.19 -3.65 117.00 120.78 1j3t n LEU 38 Ca 0.02 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.87 1j3t n LEU 38 Cb 0.47 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.49 1j3t n LEU 38 CO 0.53 0.00 0.17 -0.70 -1.33 0.00 0.00 177.39 176.06 1j3t s GLU 39 N -1.17 0.92 -0.27 3.23 2.56 -1.10 -4.94 118.70 117.93 1j3t s GLU 39 Ca 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 54.97 54.60 1j3t s GLU 39 Cb 0.00 0.41 0.09 0.00 2.00 0.00 0.00 34.13 36.64 1j3t s GLU 39 CO 0.00 -0.31 0.12 -0.65 -0.56 0.00 0.00 175.26 173.86 1j3t s GLN 40 N -2.38 0.19 0.66 4.30 -0.21 -1.26 -0.85 119.66 120.11 1j3t s GLN 40 Ca -0.06 -0.47 -0.08 0.00 0.02 0.00 0.00 55.36 54.78 1j3t s GLN 40 Cb -0.01 -1.31 0.14 0.00 1.00 0.00 0.00 33.01 32.84 1j3t s GLN 40 CO -0.02 -0.96 0.90 1.04 -2.12 0.00 0.00 175.29 174.14 1j3t n GLN 41 N 5.24 -0.56 -0.28 2.91 1.13 0.09 -4.99 117.38 120.92 1j3t n GLN 41 Ca -0.06 -1.73 0.10 0.00 -1.94 0.00 0.00 57.00 53.36 1j3t n GLN 41 Cb 0.43 -0.82 0.24 0.00 0.11 0.00 0.00 30.24 30.21 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 0.22 0.00 -1.09 4.11 -2.02 -3.32 114.58 112.48 1j3t h GLU 42 Ca -0.29 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.12 1j3t h GLU 42 Cb 0.90 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1j3t h GLU 42 CO 0.24 0.15 0.00 0.09 0.07 0.00 0.00 179.01 179.56 1j3t n ASN 43 N -5.21 0.00 -4.29 3.06 3.02 -1.26 -5.07 115.26 105.51 1j3t n ASN 43 Ca 0.18 -0.90 -0.32 0.00 -0.03 0.00 0.00 54.58 53.51 1j3t n ASN 43 Cb 0.59 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.60 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 2.65 0.08 3.10 0.52 -1.25 -0.32 118.94 123.72 1j3t s TRP 44 Ca 0.00 -0.84 0.07 0.00 0.02 0.00 0.00 56.10 55.34 1j3t s TRP 44 Cb 0.00 -1.75 -0.04 0.00 -1.15 0.00 0.00 33.47 30.54 1j3t s TRP 44 CO 0.00 -0.31 -0.13 -1.58 0.02 0.00 0.00 176.95 174.96 1j3t s TRP 45 N 0.26 2.68 0.14 -1.98 0.51 -0.10 -0.73 118.94 119.72 1j3t s TRP 45 Ca -0.14 -0.18 -0.10 0.00 -2.12 0.00 0.00 56.10 53.56 1j3t s TRP 45 Cb -0.17 -1.45 -0.06 0.00 -0.81 0.00 0.00 33.47 30.98 1j3t s TRP 45 CO 0.07 0.37 0.47 0.12 -0.51 0.00 0.00 176.95 177.47 1j3t s PHE 46 N -1.10 3.54 0.13 -1.98 5.36 -0.03 -0.24 117.98 123.66 1j3t s PHE 46 Ca 0.19 0.84 -0.24 0.00 -0.96 0.00 0.00 56.93 56.76 1j3t s PHE 46 Cb -0.11 -2.21 0.08 0.00 -0.34 0.00 0.00 43.02 40.44 1j3t s PHE 46 CO 0.10 0.43 1.10 0.20 -1.46 0.00 0.00 175.22 175.59 1j3t s GLY 47 N -1.98 0.04 -0.07 13.12 0.00 -0.69 -0.64 107.32 117.10 1j3t s GLY 47 Ca 0.39 -0.22 0.01 0.00 0.00 0.00 0.00 44.72 44.89 1j3t s GLY 47 CO 0.20 3.17 -0.06 1.85 0.00 0.00 0.00 173.10 178.25 1j3t s GLU 48 N -2.15 1.16 0.07 2.90 2.12 0.20 -1.49 118.70 121.51 1j3t s GLU 48 Ca 0.24 -0.19 -0.12 0.00 0.36 0.00 0.00 54.97 55.26 1j3t s GLU 48 Cb -0.02 -1.15 0.01 0.00 0.26 0.00 0.00 34.13 33.24 1j3t s GLU 48 CO 0.04 -0.12 0.27 0.54 -0.54 0.00 0.00 175.26 175.45 1j3t s VAL 49 N 1.15 0.10 0.00 3.70 0.11 -1.25 -1.07 120.40 123.14 1j3t s VAL 49 Ca -0.07 -0.83 0.00 0.00 -2.93 0.00 0.00 61.98 58.16 1j3t s VAL 49 Cb -0.14 -1.07 0.00 0.00 -1.53 0.00 0.00 36.38 33.63 1j3t s VAL 49 CO -0.01 -0.46 0.00 1.41 -3.33 0.00 0.00 175.10 172.71 1j3t n HIS 50 N 0.30 0.00 0.00 1.54 8.25 -1.26 -2.08 115.22 121.97 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 0.61 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.72 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 0.00 0.00 3.51 -1.41 0.00 -1.26 -5.15 105.19 100.88 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 -0.32 0.00 0.00 0.00 173.32 173.00 1j3t s GLY 52 N 0.00 -0.42 1.02 -0.02 0.00 -0.88 -5.17 107.32 101.85 1j3t s GLY 52 Ca 0.00 2.75 -0.12 0.00 0.00 0.00 0.00 44.72 47.35 1j3t s GLY 52 CO 0.00 3.16 1.07 0.50 0.00 0.00 0.00 173.10 177.84 1j3t s ARG 53 N 2.64 0.21 0.00 2.90 0.52 -1.26 -3.90 118.95 120.06 1j3t s ARG 53 Ca -0.04 0.89 0.00 0.00 -0.52 0.00 0.00 55.73 56.06 1j3t s ARG 53 Cb -0.09 -1.68 0.00 0.00 0.52 0.00 0.00 34.95 33.70 1j3t s ARG 53 CO -0.18 -2.98 0.00 0.41 0.02 0.00 0.00 175.30 172.57 1j3t n GLY 54 N -0.16 -0.36 3.80 -3.53 0.00 -0.55 -4.50 105.19 99.89 1j3t n GLY 54 Ca 0.06 -1.04 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 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 3.32 0.03 1.61 0.52 -1.26 -1.71 118.94 119.46 1j3t s TRP 55 Ca 0.00 1.64 -0.11 0.00 0.02 0.00 0.00 56.10 57.65 1j3t s TRP 55 Cb 0.00 -2.93 0.01 0.00 -1.15 0.00 0.00 33.47 29.39 1j3t s TRP 55 CO 0.00 -0.23 0.23 -0.59 0.02 0.00 0.00 176.95 176.37 1j3t s PHE 56 N -1.97 -0.01 -0.22 -1.98 -0.12 0.67 -0.61 117.98 113.73 1j3t s PHE 56 Ca 0.60 -0.13 -0.29 0.00 -0.05 0.00 0.00 56.93 57.06 1j3t s PHE 56 Cb -0.14 0.01 -0.03 0.00 -0.63 0.00 0.00 43.02 42.23 1j3t s PHE 56 CO 0.18 -0.42 1.71 -1.25 -0.05 0.00 0.00 175.22 175.39 1j3t s PRO 57 N -2.22 3.70 0.53 1.99 0.04 -1.26 -0.93 135.00 136.85 1j3t s PRO 57 Ca -0.08 1.72 0.18 0.00 0.04 0.00 0.00 61.00 62.86 1j3t s PRO 57 Cb -0.02 -4.09 1.34 0.00 0.04 0.00 0.00 34.50 31.76 1j3t s PRO 57 CO -0.02 -1.42 2.15 1.57 0.04 0.00 0.00 177.00 179.33 1j3t h LYS 58 N 11.36 0.00 0.00 4.56 2.10 -1.00 -2.36 116.57 131.22 1j3t h LYS 58 Ca -0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.30 1j3t h LYS 58 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1j3t h LYS 58 CO 1.00 0.00 0.00 0.45 -2.00 0.00 0.00 179.45 178.90 1j3t n SER 59 N -4.45 0.18 0.00 7.07 2.88 -1.26 -1.23 113.62 116.80 1j3t n SER 59 Ca -0.02 0.54 0.14 0.00 -1.33 0.00 0.00 58.87 58.20 1j3t n SER 59 Cb 0.13 -0.58 0.74 0.00 -0.75 0.00 0.00 64.21 63.75 1j3t n SER 59 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1j3t n TYR 60 N -1.69 0.00 -4.51 0.66 4.02 -0.89 -4.92 117.16 109.84 1j3t n TYR 60 Ca 0.04 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.67 1j3t n TYR 60 Cb 0.22 -0.22 -0.08 0.00 -0.02 0.00 0.00 39.34 39.24 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 -2.44 0.58 0.01 -0.72 -7.23 -0.37 -0.46 120.40 109.78 1j3t s VAL 61 Ca 0.30 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.48 1j3t s VAL 61 Cb 0.19 -2.36 -0.01 0.00 0.56 0.00 0.00 36.38 34.76 1j3t s VAL 61 CO 0.40 0.00 -0.03 -1.59 -0.31 0.00 0.00 175.10 173.58 1j3t s LYS 62 N -3.70 0.23 0.54 4.82 -2.85 -0.46 -4.85 119.74 113.46 1j3t s LYS 62 Ca 0.24 -0.36 -0.21 0.00 -1.00 0.00 0.00 55.97 54.65 1j3t s LYS 62 Cb 0.03 -0.03 -0.05 0.00 -2.06 0.00 0.00 37.83 35.72 1j3t s LYS 62 CO 0.15 -0.00 1.24 0.42 0.10 0.00 0.00 175.35 177.25 1j3t s ILE 63 N -0.78 2.62 -0.04 3.79 1.01 -1.26 -1.49 121.20 125.05 1j3t s ILE 63 Ca -0.08 0.43 0.07 0.00 0.00 0.00 0.00 60.65 61.07 1j3t s ILE 63 Cb -0.06 -3.20 -0.02 0.00 0.01 0.00 0.00 42.46 39.20 1j3t s ILE 63 CO -0.00 -0.04 -0.24 -0.63 0.00 0.00 0.00 174.94 174.02 1j3t s ILE 64 N -1.50 2.19 0.30 2.92 -1.09 -1.17 -4.88 121.20 117.98 1j3t s ILE 64 Ca 0.72 -1.04 0.06 0.00 -2.23 0.00 0.00 60.65 58.15 1j3t s ILE 64 Cb -0.33 -1.78 0.06 0.00 -1.58 0.00 0.00 42.46 38.83 1j3t s ILE 64 CO 0.37 0.58 1.73 1.55 -1.23 0.00 0.00 174.94 177.94 1j3t h PRO 65 N 5.67 0.31 -5.88 2.79 0.13 -1.96 -3.46 132.00 129.61 1j3t h PRO 65 Ca -0.40 -0.13 -0.39 0.00 -0.87 0.00 0.00 66.00 64.22 1j3t h PRO 65 Cb 1.14 -0.01 0.11 0.00 0.13 0.00 0.00 31.00 32.37 1j3t h PRO 65 CO 0.48 0.61 -0.76 0.41 -0.23 0.00 0.00 178.00 178.51 1j3t n GLY 66 N -0.32 -0.41 3.10 1.56 0.00 -1.26 -4.99 105.19 102.87 1j3t n GLY 66 Ca -0.01 0.16 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 1j3t n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j3t s SER 67 N -3.96 -0.27 -0.63 1.61 0.01 -1.26 -5.04 113.70 104.17 1j3t s SER 67 Ca 0.24 0.52 -0.11 0.00 1.31 0.00 0.00 55.95 57.91 1j3t s SER 67 Cb -0.11 0.47 0.02 0.00 0.21 0.00 0.00 66.02 66.61 1j3t s SER 67 CO 0.76 -0.12 0.54 1.21 0.41 0.00 0.00 173.24 176.04 1j3t n GLU 68 N 3.49 -1.46 -3.43 12.44 2.13 -1.26 -4.97 120.64 127.58 1j3t n GLU 68 Ca -0.18 0.83 -0.19 0.00 0.66 0.00 0.00 57.16 58.27 1j3t n GLU 68 Cb 0.56 -1.88 -0.11 0.00 0.27 0.00 0.00 31.44 30.28 1j3t n GLU 68 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1j3t s SER 69 N -2.39 2.00 0.00 4.31 1.04 -1.26 -5.12 113.70 112.28 1j3t s SER 69 Ca 0.10 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.70 1j3t s SER 69 Cb -0.01 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1j3t s SER 69 CO 0.78 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 175.22 1j3t n GLY 70 N 5.30 -2.12 3.27 7.32 0.00 -1.26 -5.15 105.19 112.55 1j3t n GLY 70 Ca -0.03 -1.34 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 1j3t n GLY 70 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1j3t n PRO 71 N -0.66 -2.05 -1.61 1.61 -0.02 -1.26 -4.96 135.00 126.05 1j3t n PRO 71 Ca 0.00 -0.59 -0.43 0.00 -2.02 0.00 0.00 63.50 60.47 1j3t n PRO 71 Cb 0.00 -1.75 -0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1j3t n PRO 71 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1j3t n SER 72 N -2.39 1.37 -4.60 2.55 7.64 -1.26 -4.91 113.62 112.03 1j3t n SER 72 Ca 0.02 1.10 -0.43 0.00 1.01 0.00 0.00 58.87 60.57 1j3t n SER 72 Cb 0.58 -1.34 -0.03 0.00 -1.01 0.00 0.00 64.21 62.42 1j3t n SER 72 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1j3t s SER 73 N -0.63 5.73 0.00 6.43 0.15 -1.26 -5.26 113.70 118.86 1j3t s SER 73 Ca 0.61 1.40 0.00 0.00 0.70 0.00 0.00 55.95 58.65 1j3t s SER 73 Cb -0.61 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.18 1j3t s SER 73 CO 0.59 -1.82 0.00 0.61 1.20 0.00 0.00 173.24 173.82