#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 -4.44 -3.97 1.61 7.64 -1.26 -5.14 113.62 108.06 1j3t n SER 2 Ca 0.00 0.20 -0.09 0.00 1.01 0.00 0.00 58.87 59.99 1j3t n SER 2 Cb 0.00 -2.80 -0.05 0.00 -1.01 0.00 0.00 64.21 60.35 1j3t n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1j3t s SER 3 N -1.73 -0.11 0.59 6.43 0.01 -1.26 -5.05 113.70 112.58 1j3t s SER 3 Ca 0.09 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 56.48 1j3t s SER 3 Cb -0.03 0.59 0.00 0.00 0.21 0.00 0.00 66.02 66.79 1j3t s SER 3 CO 0.31 -1.14 0.00 0.61 0.41 0.00 0.00 173.24 173.44 1j3t n GLY 4 N -0.38 0.90 0.00 3.44 0.00 -1.26 -3.62 105.19 104.27 1j3t n GLY 4 Ca -0.03 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1j3t n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j3t n SER 5 N 7.26 0.00 -4.81 1.61 2.88 -1.26 -4.85 113.62 114.45 1j3t n SER 5 Ca 0.00 0.66 -0.30 0.00 -1.33 0.00 0.00 58.87 57.90 1j3t n SER 5 Cb 0.00 -0.27 0.08 0.00 -0.75 0.00 0.00 64.21 63.27 1j3t n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1j3t s SER 6 N -2.02 4.67 0.00 -3.46 0.01 -1.24 -4.45 113.70 107.20 1j3t s SER 6 Ca 0.00 1.38 0.00 0.00 1.31 0.00 0.00 55.95 58.64 1j3t s SER 6 Cb 0.00 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 64.09 1j3t s SER 6 CO 0.00 -1.87 0.00 0.61 0.41 0.00 0.00 173.24 172.39 1j3t n GLY 7 N -2.06 2.26 1.07 3.44 0.00 -1.26 -4.32 105.19 104.32 1j3t n GLY 7 Ca 0.07 -0.68 0.14 0.00 0.00 0.00 0.00 46.02 45.55 1j3t n GLY 7 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1j3t n VAL 8 N 0.00 0.00 -4.28 1.61 3.14 -1.26 -5.02 118.33 112.52 1j3t n VAL 8 Ca 0.00 0.17 -0.21 0.00 -2.96 0.00 0.00 64.34 61.34 1j3t n VAL 8 Cb 0.00 -0.53 -0.11 0.00 -1.06 0.00 0.00 33.84 32.14 1j3t n VAL 8 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1j3t s GLU 9 N -2.38 1.12 1.03 1.45 2.12 -1.26 -5.07 118.70 115.71 1j3t s GLU 9 Ca 0.00 -1.27 0.00 0.00 0.36 0.00 0.00 54.97 54.06 1j3t s GLU 9 Cb 0.00 -1.16 0.00 0.00 0.26 0.00 0.00 34.13 33.23 1j3t s GLU 9 CO 0.00 0.24 0.00 0.09 -0.54 0.00 0.00 175.26 175.05 1j3t n ASN 10 N 0.60 -6.75 -4.81 -1.70 3.02 -1.26 -4.79 115.26 99.57 1j3t n ASN 10 Ca -0.16 0.78 -0.33 0.00 -0.03 0.00 0.00 54.58 54.84 1j3t n ASN 10 Cb 0.56 -2.19 -0.04 0.00 -0.61 0.00 0.00 39.78 37.50 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 0.00 3.81 0.05 3.41 2.96 -1.24 -4.97 118.68 122.70 1j3t s LEU 11 Ca 0.00 1.76 0.07 0.00 -0.22 0.00 0.00 54.13 55.74 1j3t s LEU 11 Cb 0.00 -4.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.12 1j3t s LEU 11 CO 0.00 -0.61 -0.20 -0.54 -1.32 0.00 0.00 176.35 173.68 1j3t s LYS 12 N -3.44 1.25 -0.02 1.98 -0.14 -1.26 -0.09 119.74 118.02 1j3t s LYS 12 Ca 0.63 -0.95 0.00 0.00 -1.36 0.00 0.00 55.97 54.29 1j3t s LYS 12 Cb -0.12 -1.38 0.03 0.00 -1.68 0.00 0.00 37.83 34.68 1j3t s LYS 12 CO 0.21 0.34 0.03 0.00 -0.76 0.00 0.00 175.35 175.17 1j3t s ALA 13 N -0.89 0.09 -0.01 5.17 0.00 -0.26 -2.49 121.76 123.37 1j3t s ALA 13 Ca 0.06 0.27 -0.24 0.00 0.00 0.00 0.00 51.96 52.05 1j3t s ALA 13 Cb -0.09 -0.23 -0.05 0.00 0.00 0.00 0.00 23.12 22.75 1j3t s ALA 13 CO 0.02 -0.10 0.73 -1.14 0.00 0.00 0.00 175.76 175.27 1j3t s GLN 14 N 0.98 4.45 0.30 0.00 0.74 -0.26 -1.56 119.66 124.31 1j3t s GLN 14 Ca -0.08 0.97 -0.29 0.00 0.05 0.00 0.00 55.36 56.01 1j3t s GLN 14 Cb -0.12 -3.40 -0.10 0.00 1.10 0.00 0.00 33.01 30.49 1j3t s GLN 14 CO -0.03 0.19 1.22 0.00 -0.55 0.00 0.00 175.29 176.12 1j3t s ALA 15 N 0.32 3.46 -0.59 1.58 0.00 0.67 -1.17 121.76 126.03 1j3t s ALA 15 Ca 0.38 1.10 0.23 0.00 0.00 0.00 0.00 51.96 53.67 1j3t s ALA 15 Cb -0.19 -3.41 0.12 0.00 0.00 0.00 0.00 23.12 19.63 1j3t s ALA 15 CO 0.21 -0.43 1.09 1.28 0.00 0.00 0.00 175.76 177.91 1j3t n LEU 16 N 1.08 0.63 -3.73 0.00 4.77 0.43 -1.14 117.00 119.04 1j3t n LEU 16 Ca -0.00 0.06 -0.10 0.00 -0.03 0.00 0.00 56.01 55.94 1j3t n LEU 16 Cb 0.43 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.37 1j3t n LEU 16 CO 0.57 0.01 0.26 0.00 -1.33 0.00 0.00 177.39 176.90 1j3t s SER 18 N -2.87 6.87 0.08 0.00 0.01 -1.26 -3.31 113.70 113.23 1j3t s SER 18 Ca 0.09 2.10 -0.17 0.00 1.31 0.00 0.00 55.95 59.28 1j3t s SER 18 Cb -0.01 -2.60 0.04 0.00 0.21 0.00 0.00 66.02 63.66 1j3t s SER 18 CO -0.03 -0.41 0.41 0.86 0.41 0.00 0.00 173.24 174.47 1j3t s TRP 19 N -1.53 -0.24 0.13 2.43 -0.00 -0.02 -4.83 118.94 114.88 1j3t s TRP 19 Ca 0.54 0.07 0.10 0.00 -0.00 0.00 0.00 56.10 56.81 1j3t s TRP 19 Cb -0.25 0.24 -0.04 0.00 -0.00 0.00 0.00 33.47 33.42 1j3t s TRP 19 CO 0.31 -0.63 -0.24 0.95 -0.00 0.00 0.00 176.95 177.34 1j3t s THR 20 N -3.10 2.03 0.37 5.86 -4.23 -1.26 -1.60 115.64 113.71 1j3t s THR 20 Ca -0.01 -1.71 -0.26 0.00 -1.18 0.00 0.00 61.69 58.52 1j3t s THR 20 Cb 0.00 -1.83 -0.09 0.00 1.34 0.00 0.00 72.50 71.93 1j3t s THR 20 CO -0.07 -0.02 1.14 0.00 -0.54 0.00 0.00 174.62 175.14 1j3t s ALA 21 N -1.22 3.21 0.00 3.99 0.00 -1.25 -4.90 121.76 121.58 1j3t s ALA 21 Ca 0.12 0.93 0.00 0.00 0.00 0.00 0.00 51.96 53.01 1j3t s ALA 21 Cb -0.10 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1j3t s ALA 21 CO 0.06 -0.42 0.00 1.63 0.00 0.00 0.00 175.76 177.03 1j3t n LYS 22 N 0.30 3.15 -4.42 0.00 4.76 -1.26 -5.04 118.16 115.65 1j3t n LYS 22 Ca 0.03 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.27 1j3t n LYS 22 Cb 0.46 -0.70 -0.10 0.00 -1.84 0.00 0.00 35.03 32.85 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 -0.91 1.54 0.46 1.97 1.02 -1.26 -5.05 119.74 117.50 1j3t s LYS 23 Ca 0.00 -1.80 0.19 0.00 0.02 0.00 0.00 55.97 54.37 1j3t s LYS 23 Cb 0.00 -0.96 1.13 0.00 -0.52 0.00 0.00 37.83 37.48 1j3t s LYS 23 CO 0.00 -0.06 2.00 -0.44 -0.92 0.00 0.00 175.35 175.93 1j3t h ASP 24 N 2.27 0.00 -0.68 2.83 5.19 -2.02 -1.25 116.42 122.75 1j3t h ASP 24 Ca -0.40 0.00 -0.38 0.00 -0.62 0.00 0.00 57.03 55.63 1j3t h ASP 24 Cb 1.23 0.00 -0.22 0.00 0.18 0.00 0.00 39.33 40.52 1j3t h ASP 24 CO 0.68 0.18 0.24 0.59 -3.12 0.00 0.00 179.24 177.81 1j3t n ASN 25 N -4.07 3.67 -4.83 6.45 4.13 -1.26 -4.99 115.26 114.36 1j3t n ASN 25 Ca -0.02 -3.73 -0.36 0.00 1.68 0.00 0.00 54.58 52.15 1j3t n ASN 25 Cb 0.26 -0.73 -0.06 0.00 -1.54 0.00 0.00 39.78 37.71 1j3t n ASN 25 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1j3t s HIS 26 N -3.36 3.65 0.70 3.10 3.76 -0.47 -0.08 115.29 122.58 1j3t s HIS 26 Ca 0.52 1.20 -0.11 0.00 -0.15 0.00 0.00 55.06 56.52 1j3t s HIS 26 Cb 0.45 -2.47 0.01 0.00 1.11 0.00 0.00 32.58 31.68 1j3t s HIS 26 CO 0.04 0.43 1.06 -1.17 -0.85 0.00 0.00 174.74 174.25 1j3t s LEU 27 N -1.82 3.09 -0.03 0.89 1.98 -0.03 -4.57 118.68 118.19 1j3t s LEU 27 Ca 0.38 1.58 -0.02 0.00 -2.89 0.00 0.00 54.13 53.18 1j3t s LEU 27 Cb -0.16 -4.44 0.02 0.00 0.66 0.00 0.00 46.19 42.27 1j3t s LEU 27 CO 0.20 -1.46 0.07 0.54 -1.89 0.00 0.00 176.35 173.80 1j3t s ASN 28 N -3.83 -0.04 0.20 3.68 2.20 -1.26 -3.93 114.94 111.97 1j3t s ASN 28 Ca 0.58 0.13 -0.05 0.00 -0.94 0.00 0.00 52.86 52.58 1j3t s ASN 28 Cb -0.14 0.08 -0.03 0.00 -2.00 0.00 0.00 41.25 39.17 1j3t s ASN 28 CO 0.55 -0.08 0.24 0.72 -2.94 0.00 0.00 177.10 175.59 1j3t s PHE 29 N 0.54 0.84 0.41 1.54 -0.12 -0.63 -4.92 117.98 115.65 1j3t s PHE 29 Ca -0.04 -1.13 0.08 0.00 -0.05 0.00 0.00 56.93 55.79 1j3t s PHE 29 Cb -0.06 -0.29 -0.00 0.00 -0.63 0.00 0.00 43.02 42.03 1j3t s PHE 29 CO -0.02 -0.74 0.50 -1.12 -0.05 0.00 0.00 175.22 173.80 1j3t s SER 30 N -3.09 5.50 0.24 1.98 0.01 -1.26 -0.84 113.70 116.23 1j3t s SER 30 Ca 0.31 -0.50 -0.31 0.00 1.31 0.00 0.00 55.95 56.76 1j3t s SER 30 Cb 0.05 -0.67 -0.11 0.00 0.21 0.00 0.00 66.02 65.49 1j3t s SER 30 CO 0.09 -0.70 1.64 -0.75 0.41 0.00 0.00 173.24 173.93 1j3t s LYS 31 N -4.27 4.14 0.00 12.44 2.20 -1.21 -2.12 119.74 130.91 1j3t s LYS 31 Ca 0.52 2.56 0.00 0.00 -0.36 0.00 0.00 55.97 58.69 1j3t s LYS 31 Cb -0.08 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.18 1j3t s LYS 31 CO 0.31 -0.67 0.00 0.72 -0.36 0.00 0.00 175.35 175.35 1j3t n HIS 32 N 3.09 0.00 -1.82 4.03 8.25 -0.29 -4.86 115.22 123.62 1j3t n HIS 32 Ca 0.12 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.21 1j3t n HIS 32 Cb 0.37 -0.45 0.05 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 -2.64 4.93 -0.22 0.41 1.11 -0.90 -4.67 116.67 114.69 1j3t s ASP 33 Ca 0.00 2.61 -0.07 0.00 0.18 0.00 0.00 52.55 55.27 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 -1.79 0.06 -0.63 1.18 0.00 0.00 175.17 174.00 1j3t s ILE 34 N -1.41 4.51 -0.06 0.77 -1.09 -1.26 -0.24 121.20 122.43 1j3t s ILE 34 Ca 0.78 -0.12 0.04 0.00 -2.23 0.00 0.00 60.65 59.12 1j3t s ILE 34 Cb -0.37 -3.07 0.00 0.00 -1.58 0.00 0.00 42.46 37.44 1j3t s ILE 34 CO 0.41 0.39 -0.18 -0.63 -1.23 0.00 0.00 174.94 173.70 1j3t s ILE 35 N 1.03 1.53 -0.44 2.92 1.09 -0.60 -4.80 121.20 121.92 1j3t s ILE 35 Ca 0.04 -0.74 -0.28 0.00 -1.10 0.00 0.00 60.65 58.57 1j3t s ILE 35 Cb -0.14 -1.33 -0.01 0.00 -1.06 0.00 0.00 42.46 39.91 1j3t s ILE 35 CO 0.03 0.44 1.74 -0.89 -0.10 0.00 0.00 174.94 176.16 1j3t s THR 36 N 0.29 3.51 0.55 2.92 2.01 0.15 -1.10 115.64 123.98 1j3t s THR 36 Ca -0.11 0.47 -0.20 0.00 0.31 0.00 0.00 61.69 62.16 1j3t s THR 36 Cb -0.15 -3.86 -0.05 0.00 0.01 0.00 0.00 72.50 68.46 1j3t s THR 36 CO 0.04 -0.66 1.21 -0.69 -0.69 0.00 0.00 174.62 173.84 1j3t s VAL 37 N 7.34 2.74 0.18 3.82 1.01 0.87 -0.43 120.40 135.93 1j3t s VAL 37 Ca 0.72 0.50 0.00 0.00 0.00 0.00 0.00 61.98 63.19 1j3t s VAL 37 Cb -0.17 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 32.99 1j3t s VAL 37 CO 0.29 -0.07 0.00 0.18 0.00 0.00 0.00 175.10 175.50 1j3t n LEU 38 N -1.22 0.14 -4.56 3.92 4.77 0.27 -3.70 117.00 116.63 1j3t n LEU 38 Ca 0.11 0.30 -0.24 0.00 -0.03 0.00 0.00 56.01 56.14 1j3t n LEU 38 Cb 0.49 0.15 -0.09 0.00 -2.33 0.00 0.00 43.42 41.64 1j3t n LEU 38 CO 0.46 -0.71 -0.39 -0.70 -1.33 0.00 0.00 177.39 174.72 1j3t s GLU 39 N -1.73 1.91 0.05 3.23 2.56 -1.06 -4.96 118.70 118.70 1j3t s GLU 39 Ca 0.00 -1.75 0.04 0.00 0.00 0.00 0.00 54.97 53.26 1j3t s GLU 39 Cb 0.00 -1.85 -0.02 0.00 2.00 0.00 0.00 34.13 34.25 1j3t s GLU 39 CO 0.00 0.24 -0.13 -0.65 -0.56 0.00 0.00 175.26 174.16 1j3t s GLN 40 N -3.61 0.79 0.44 4.30 -0.21 -1.26 -0.75 119.66 119.36 1j3t s GLN 40 Ca 0.32 -0.81 0.00 0.00 0.02 0.00 0.00 55.36 54.89 1j3t s GLN 40 Cb -0.02 -0.76 -0.00 0.00 1.00 0.00 0.00 33.01 33.23 1j3t s GLN 40 CO 0.17 0.18 0.01 1.04 -2.12 0.00 0.00 175.29 174.57 1j3t n GLN 41 N 1.63 0.90 -0.35 2.91 6.02 0.65 -4.95 117.38 124.19 1j3t n GLN 41 Ca -0.20 -3.23 0.01 0.00 -0.01 0.00 0.00 57.00 53.57 1j3t n GLN 41 Cb 0.55 0.92 0.07 0.00 1.02 0.00 0.00 30.24 32.80 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 -0.02 0.00 -1.09 4.11 -2.02 -3.32 114.58 112.24 1j3t h GLU 42 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.07 1j3t h GLU 42 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1j3t h GLU 42 CO 0.60 -0.01 0.00 0.09 0.07 0.00 0.00 179.01 179.76 1j3t n ASN 43 N -5.51 0.00 -4.40 3.06 3.02 -1.26 -5.06 115.26 105.10 1j3t n ASN 43 Ca 0.11 -1.00 -0.32 0.00 -0.03 0.00 0.00 54.58 53.34 1j3t n ASN 43 Cb 0.42 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.45 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 2.52 0.16 3.10 0.52 -1.25 -0.64 118.94 123.35 1j3t s TRP 44 Ca 0.00 -0.29 0.11 0.00 0.02 0.00 0.00 56.10 55.94 1j3t s TRP 44 Cb 0.00 -1.55 -0.04 0.00 -1.15 0.00 0.00 33.47 30.73 1j3t s TRP 44 CO 0.00 0.10 -0.25 -1.58 0.02 0.00 0.00 176.95 175.23 1j3t s TRP 45 N -0.70 2.32 0.07 -1.98 0.51 -0.09 -0.25 118.94 118.82 1j3t s TRP 45 Ca 0.11 -0.36 -0.06 0.00 -2.12 0.00 0.00 56.10 53.66 1j3t s TRP 45 Cb -0.10 -1.20 -0.05 0.00 -0.81 0.00 0.00 33.47 31.31 1j3t s TRP 45 CO 0.00 0.43 0.33 0.12 -0.51 0.00 0.00 176.95 177.32 1j3t s PHE 46 N -1.39 3.54 0.16 -1.98 5.36 0.07 -0.67 117.98 123.08 1j3t s PHE 46 Ca 0.18 0.60 -0.24 0.00 -0.96 0.00 0.00 56.93 56.51 1j3t s PHE 46 Cb -0.09 -2.02 0.08 0.00 -0.34 0.00 0.00 43.02 40.64 1j3t s PHE 46 CO 0.08 0.53 1.03 0.20 -1.46 0.00 0.00 175.22 175.60 1j3t s GLY 47 N -2.01 -0.03 -0.05 13.12 0.00 -0.32 -0.56 107.32 117.47 1j3t s GLY 47 Ca 0.34 -0.13 0.05 0.00 0.00 0.00 0.00 44.72 44.98 1j3t s GLY 47 CO 0.20 1.53 -0.19 1.85 0.00 0.00 0.00 173.10 176.49 1j3t s GLU 48 N -2.53 2.00 0.06 2.90 2.12 0.42 -1.18 118.70 122.49 1j3t s GLU 48 Ca 0.18 -0.68 -0.12 0.00 0.36 0.00 0.00 54.97 54.71 1j3t s GLU 48 Cb -0.02 -1.72 0.01 0.00 0.26 0.00 0.00 34.13 32.67 1j3t s GLU 48 CO 0.04 0.27 0.26 0.54 -0.54 0.00 0.00 175.26 175.83 1j3t s VAL 49 N 0.01 0.10 0.00 3.70 0.11 -0.51 -0.67 120.40 123.15 1j3t s VAL 49 Ca -0.04 -0.85 0.00 0.00 -2.93 0.00 0.00 61.98 58.16 1j3t s VAL 49 Cb -0.12 -1.06 0.00 0.00 -1.53 0.00 0.00 36.38 33.67 1j3t s VAL 49 CO 0.03 -0.47 0.00 1.41 -3.33 0.00 0.00 175.10 172.74 1j3t n HIS 50 N 0.36 0.00 0.00 1.54 8.25 -1.26 -1.14 115.22 122.96 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 0.60 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.51 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 -1.23 1.63 3.31 -1.41 0.00 -1.26 -5.14 105.19 101.09 1j3t n GLY 51 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 1.62 -0.05 -0.02 0.00 -0.30 -5.17 107.32 101.41 1j3t s GLY 52 Ca 0.00 -1.80 -0.02 0.00 0.00 0.00 0.00 44.72 42.89 1j3t s GLY 52 CO 0.00 -1.61 0.11 0.50 0.00 0.00 0.00 173.10 172.10 1j3t s ARG 53 N -3.96 0.07 -0.01 2.90 0.52 -1.26 -1.42 118.95 115.79 1j3t s ARG 53 Ca 0.33 0.27 -0.29 0.00 -0.52 0.00 0.00 55.73 55.52 1j3t s ARG 53 Cb 0.07 -0.13 0.11 0.00 0.52 0.00 0.00 34.95 35.52 1j3t s ARG 53 CO 0.11 -0.12 1.28 0.20 0.02 0.00 0.00 175.30 176.78 1j3t s GLY 54 N 0.85 -0.25 0.41 -3.53 0.00 -0.32 -4.67 107.32 99.80 1j3t s GLY 54 Ca -0.07 0.33 -0.13 0.00 0.00 0.00 0.00 44.72 44.86 1j3t s GLY 54 CO -0.04 2.84 0.81 -0.98 0.00 0.00 0.00 173.10 175.73 1j3t s TRP 55 N -2.21 3.44 -0.02 1.90 0.52 0.88 -1.18 118.94 122.27 1j3t s TRP 55 Ca 0.22 1.17 -0.27 0.00 0.02 0.00 0.00 56.10 57.24 1j3t s TRP 55 Cb 0.02 -2.53 0.06 0.00 -1.15 0.00 0.00 33.47 29.87 1j3t s TRP 55 CO -0.02 -0.11 0.60 -0.59 0.02 0.00 0.00 176.95 176.85 1j3t s PHE 56 N -2.33 -0.55 -0.12 -1.98 -0.12 0.16 -0.85 117.98 112.19 1j3t s PHE 56 Ca 0.53 0.87 -0.29 0.00 -0.05 0.00 0.00 56.93 57.99 1j3t s PHE 56 Cb -0.10 0.36 -0.05 0.00 -0.63 0.00 0.00 43.02 42.60 1j3t s PHE 56 CO 0.28 -0.59 1.84 -1.25 -0.05 0.00 0.00 175.22 175.44 1j3t s PRO 57 N -1.50 3.83 0.61 1.99 0.05 -1.26 -0.91 135.00 137.80 1j3t s PRO 57 Ca -0.10 2.08 0.35 0.00 0.05 0.00 0.00 61.00 63.38 1j3t s PRO 57 Cb -0.01 -4.13 2.01 0.00 0.05 0.00 0.00 34.50 32.42 1j3t s PRO 57 CO 0.06 -1.28 2.28 1.57 0.05 0.00 0.00 177.00 179.68 1j3t h LYS 58 N 11.33 0.00 0.00 4.56 2.10 -1.20 -1.92 116.57 131.45 1j3t h LYS 58 Ca -0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 1j3t h LYS 58 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1j3t h LYS 58 CO 0.97 0.01 0.00 -1.13 -2.00 0.00 0.00 179.45 177.30 1j3t n SER 59 N -3.54 0.00 -0.06 7.07 3.41 -1.26 -1.06 113.62 118.18 1j3t n SER 59 Ca -0.03 0.48 0.15 0.00 -0.26 0.00 0.00 58.87 59.21 1j3t n SER 59 Cb 0.10 -0.49 0.79 0.00 -0.26 0.00 0.00 64.21 64.35 1j3t n SER 59 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1j3t n TYR 60 N -1.49 0.00 -4.34 7.33 4.02 -0.72 -4.93 117.16 117.03 1j3t n TYR 60 Ca 0.03 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.72 1j3t n TYR 60 Cb 0.15 -0.12 -0.08 0.00 -0.02 0.00 0.00 39.34 39.27 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 -2.25 0.19 -0.08 -0.72 -7.23 -0.22 -0.43 120.40 109.65 1j3t s VAL 61 Ca 0.38 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.44 1j3t s VAL 61 Cb 0.21 -2.46 0.03 0.00 0.56 0.00 0.00 36.38 34.72 1j3t s VAL 61 CO 0.41 0.00 0.29 -1.59 -0.31 0.00 0.00 175.10 173.90 1j3t s LYS 62 N -3.62 0.45 0.48 4.82 -2.85 -0.32 -4.85 119.74 113.85 1j3t s LYS 62 Ca 0.36 0.18 -0.23 0.00 -1.00 0.00 0.00 55.97 55.27 1j3t s LYS 62 Cb 0.03 0.21 -0.07 0.00 -2.06 0.00 0.00 37.83 35.94 1j3t s LYS 62 CO 0.22 -0.09 1.32 0.42 0.10 0.00 0.00 175.35 177.32 1j3t s ILE 63 N -0.38 2.40 0.06 3.79 1.01 -1.26 -1.10 121.20 125.71 1j3t s ILE 63 Ca -0.05 0.32 0.08 0.00 0.00 0.00 0.00 60.65 61.00 1j3t s ILE 63 Cb -0.03 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 1j3t s ILE 63 CO 0.02 0.02 -0.22 -0.63 0.00 0.00 0.00 174.94 174.12 1j3t s ILE 64 N -1.33 2.50 0.13 2.92 1.01 -1.04 -4.87 121.20 120.52 1j3t s ILE 64 Ca 0.65 -1.35 0.12 0.00 0.00 0.00 0.00 60.65 60.08 1j3t s ILE 64 Cb -0.38 -2.04 -0.02 0.00 0.01 0.00 0.00 42.46 40.03 1j3t s ILE 64 CO 0.47 0.31 1.52 1.55 0.00 0.00 0.00 174.94 178.78 1j3t h PRO 65 N 4.50 0.00 -4.19 2.79 0.13 -1.96 -3.44 132.00 129.83 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 1.15 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 1j3t h PRO 65 CO 0.45 0.65 -0.71 0.41 -0.23 0.00 0.00 178.00 178.57 1j3t n GLY 66 N 0.73 -3.93 0.10 1.56 0.00 -1.26 -5.05 105.19 97.34 1j3t n GLY 66 Ca -0.00 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1j3t n GLY 66 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j3t n SER 67 N 0.63 0.00 -4.79 1.61 7.64 -1.26 -5.01 113.62 112.45 1j3t n SER 67 Ca -0.10 -1.14 -0.36 0.00 1.01 0.00 0.00 58.87 58.28 1j3t n SER 67 Cb 0.15 -0.03 -0.05 0.00 -1.01 0.00 0.00 64.21 63.27 1j3t n SER 67 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1j3t s GLU 68 N 0.00 4.27 -0.31 1.43 2.12 -1.26 -5.01 118.70 119.94 1j3t s GLU 68 Ca 0.00 1.43 0.18 0.00 0.36 0.00 0.00 54.97 56.94 1j3t s GLU 68 Cb 0.00 -2.57 0.46 0.00 0.26 0.00 0.00 34.13 32.28 1j3t s GLU 68 CO 0.00 -0.03 1.13 -1.13 -0.54 0.00 0.00 175.26 174.69 1j3t n SER 69 N 0.03 0.65 -3.99 -1.70 3.41 -1.26 -4.72 113.62 106.04 1j3t n SER 69 Ca 0.04 -2.39 -0.11 0.00 -0.26 0.00 0.00 58.87 56.15 1j3t n SER 69 Cb 0.50 -0.15 -0.12 0.00 -0.26 0.00 0.00 64.21 64.19 1j3t n SER 69 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1j3t s GLY 70 N -2.83 0.31 -0.71 5.00 0.00 -1.26 -5.09 107.32 102.73 1j3t s GLY 70 Ca 0.24 -0.56 -0.26 0.00 0.00 0.00 0.00 44.72 44.14 1j3t s GLY 70 CO -0.03 -0.61 1.79 2.56 0.00 0.00 0.00 173.10 176.82 1j3t s PRO 71 N -1.23 2.72 0.29 2.90 0.04 -1.26 -4.82 135.00 133.64 1j3t s PRO 71 Ca -0.11 0.24 -0.09 0.00 0.04 0.00 0.00 61.00 61.08 1j3t s PRO 71 Cb -0.08 -4.54 0.00 0.00 0.04 0.00 0.00 34.50 29.91 1j3t s PRO 71 CO -0.00 -2.77 0.49 -1.54 0.04 0.00 0.00 177.00 173.21 1j3t s SER 72 N 7.39 0.25 -0.34 6.66 1.04 -1.26 -5.11 113.70 122.33 1j3t s SER 72 Ca 0.63 -1.15 0.02 0.00 0.48 0.00 0.00 55.95 55.93 1j3t s SER 72 Cb -0.10 0.63 0.09 0.00 0.10 0.00 0.00 66.02 66.73 1j3t s SER 72 CO 0.14 -1.23 0.05 -0.44 0.98 0.00 0.00 173.24 172.75 1j3t s SER 73 N -3.10 4.84 0.00 7.02 0.01 -1.26 -4.55 113.70 116.65 1j3t s SER 73 Ca 0.25 -1.94 0.26 0.00 1.31 0.00 0.00 55.95 55.83 1j3t s SER 73 Cb -0.01 -1.67 0.52 0.00 0.21 0.00 0.00 66.02 65.08 1j3t s SER 73 CO 0.13 -0.38 1.45 0.61 0.41 0.00 0.00 173.24 175.46