#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3t s SER 2 N 0.00 3.15 -0.18 1.61 0.01 -1.26 -5.07 113.70 111.96 1j3t s SER 2 Ca 0.00 2.18 -0.12 0.00 1.31 0.00 0.00 55.95 59.32 1j3t s SER 2 Cb 0.00 -2.57 0.06 0.00 0.21 0.00 0.00 66.02 63.72 1j3t s SER 2 CO 0.00 -2.95 0.46 -0.55 0.41 0.00 0.00 173.24 170.60 1j3t s SER 3 N -2.67 -0.55 -0.14 2.44 0.15 -1.26 -5.17 113.70 106.50 1j3t s SER 3 Ca 0.67 0.97 -0.30 0.00 0.70 0.00 0.00 55.95 57.99 1j3t s SER 3 Cb -0.23 0.90 0.12 0.00 -1.71 0.00 0.00 66.02 65.10 1j3t s SER 3 CO 0.57 -0.19 0.98 -0.83 1.20 0.00 0.00 173.24 174.96 1j3t s GLY 4 N 1.05 -0.30 -1.31 9.45 0.00 -1.26 -4.99 107.32 109.96 1j3t s GLY 4 Ca -0.07 1.91 -0.01 0.00 0.00 0.00 0.00 44.72 46.56 1j3t s GLY 4 CO -0.09 0.97 0.77 1.44 0.00 0.00 0.00 173.10 176.18 1j3t n SER 5 N 0.65 -1.59 -3.04 1.64 7.64 -1.26 -4.99 113.62 112.67 1j3t n SER 5 Ca -0.10 -0.78 0.00 0.00 1.01 0.00 0.00 58.87 58.99 1j3t n SER 5 Cb 0.58 -4.22 -0.00 0.00 -1.01 0.00 0.00 64.21 59.56 1j3t n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1j3t s SER 6 N -4.28 -1.25 -0.08 6.43 0.15 -1.26 -5.05 113.70 108.35 1j3t s SER 6 Ca 0.05 -0.79 0.02 0.00 0.70 0.00 0.00 55.95 55.93 1j3t s SER 6 Cb -0.03 1.61 0.17 0.00 -1.71 0.00 0.00 66.02 66.07 1j3t s SER 6 CO 0.80 -0.12 0.97 0.61 1.20 0.00 0.00 173.24 176.70 1j3t n GLY 7 N 3.99 2.17 0.78 9.45 0.00 -1.26 -4.93 105.19 115.39 1j3t n GLY 7 Ca 0.11 -0.23 -0.04 0.00 0.00 0.00 0.00 46.02 45.86 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 0.14 0.00 -0.31 1.61 0.24 -1.26 -4.98 118.33 113.77 1j3t n VAL 8 Ca 0.10 -0.33 0.02 0.00 -2.04 0.00 0.00 64.34 62.08 1j3t n VAL 8 Cb 0.60 -1.19 -0.01 0.00 -1.47 0.00 0.00 33.84 31.77 1j3t n VAL 8 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1j3t n GLU 9 N -1.34 -0.76 0.00 7.34 2.13 -1.26 -5.06 120.64 121.69 1j3t n GLU 9 Ca 0.03 0.60 0.00 0.00 0.66 0.00 0.00 57.16 58.46 1j3t n GLU 9 Cb 0.12 -0.81 0.00 0.00 0.27 0.00 0.00 31.44 31.02 1j3t n GLU 9 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1j3t n ASN 10 N -2.14 -5.54 -4.79 4.31 3.02 -1.26 -4.61 115.26 104.24 1j3t n ASN 10 Ca -0.01 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.19 1j3t n ASN 10 Cb 0.12 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.25 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 4.02 0.13 3.41 2.96 -1.25 -4.97 118.68 122.97 1j3t s LEU 11 Ca 0.00 1.95 0.11 0.00 -0.22 0.00 0.00 54.13 55.97 1j3t s LEU 11 Cb 0.00 -4.36 -0.04 0.00 0.50 0.00 0.00 46.19 42.29 1j3t s LEU 11 CO 0.00 -0.57 -0.27 -0.54 -1.32 0.00 0.00 176.35 173.65 1j3t s LYS 12 N -2.83 1.43 -0.02 1.98 1.02 -1.26 -0.18 119.74 119.89 1j3t s LYS 12 Ca 0.62 -1.33 0.01 0.00 0.02 0.00 0.00 55.97 55.28 1j3t s LYS 12 Cb -0.18 -1.91 0.02 0.00 -0.52 0.00 0.00 37.83 35.23 1j3t s LYS 12 CO 0.23 0.45 -0.02 0.00 -0.92 0.00 0.00 175.35 175.10 1j3t s ALA 13 N -1.05 0.33 -0.09 5.17 0.00 -0.54 -2.71 121.76 122.87 1j3t s ALA 13 Ca 0.14 0.04 -0.25 0.00 0.00 0.00 0.00 51.96 51.89 1j3t s ALA 13 Cb -0.10 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 1j3t s ALA 13 CO 0.06 -0.01 0.80 -1.14 0.00 0.00 0.00 175.76 175.47 1j3t s GLN 14 N 0.63 4.41 0.62 0.00 0.74 0.26 -1.32 119.66 125.00 1j3t s GLN 14 Ca -0.06 1.03 -0.18 0.00 0.05 0.00 0.00 55.36 56.20 1j3t s GLN 14 Cb -0.10 -3.50 -0.02 0.00 1.10 0.00 0.00 33.01 30.50 1j3t s GLN 14 CO -0.01 -0.10 1.21 0.00 -0.55 0.00 0.00 175.29 175.84 1j3t s ALA 15 N 1.34 2.47 -0.40 1.58 0.00 0.10 -0.41 121.76 126.44 1j3t s ALA 15 Ca 0.40 0.98 0.06 0.00 0.00 0.00 0.00 51.96 53.41 1j3t s ALA 15 Cb -0.18 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 1j3t s ALA 15 CO 0.18 -1.31 0.35 1.28 0.00 0.00 0.00 175.76 176.26 1j3t n LEU 16 N -1.82 0.54 -3.80 0.00 4.77 0.76 -1.10 117.00 116.35 1j3t n LEU 16 Ca 0.14 -0.60 -0.10 0.00 -0.03 0.00 0.00 56.01 55.42 1j3t n LEU 16 Cb 0.50 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.52 1j3t n LEU 16 CO 0.45 0.12 -0.03 0.00 -1.33 0.00 0.00 177.39 176.61 1j3t s SER 18 N -2.57 7.05 0.04 0.00 1.04 -1.26 -3.51 113.70 114.48 1j3t s SER 18 Ca 0.01 1.30 -0.00 0.00 0.48 0.00 0.00 55.95 57.74 1j3t s SER 18 Cb 0.02 -2.50 -0.03 0.00 0.10 0.00 0.00 66.02 63.61 1j3t s SER 18 CO -0.09 -0.53 -0.03 0.86 0.98 0.00 0.00 173.24 174.43 1j3t s TRP 19 N 2.65 0.42 -0.07 5.02 -0.00 0.00 -4.90 118.94 122.06 1j3t s TRP 19 Ca 0.42 -0.79 0.10 0.00 -0.00 0.00 0.00 56.10 55.83 1j3t s TRP 19 Cb -0.16 -0.30 0.17 0.00 -0.00 0.00 0.00 33.47 33.17 1j3t s TRP 19 CO 0.10 -0.27 1.09 0.25 -0.00 0.00 0.00 176.95 178.12 1j3t n THR 20 N 0.85 0.98 -1.34 5.86 -2.24 -1.26 -1.12 114.28 116.00 1j3t n THR 20 Ca -0.19 -1.23 0.16 0.00 -2.27 0.00 0.00 64.05 60.52 1j3t n THR 20 Cb 0.58 0.14 -0.07 0.00 -2.10 0.00 0.00 70.33 68.88 1j3t n THR 20 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j3t n ALA 21 N -0.71 -3.57 0.00 6.98 0.00 -1.21 -4.90 120.51 117.10 1j3t n ALA 21 Ca 0.09 0.69 0.00 0.00 0.00 0.00 0.00 53.44 54.21 1j3t n ALA 21 Cb 0.69 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1j3t n ALA 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1j3t n LYS 22 N -4.08 0.00 -4.08 0.00 4.76 -1.26 -5.07 118.16 108.42 1j3t n LYS 22 Ca -0.05 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.16 1j3t n LYS 22 Cb 0.65 -0.17 -0.06 0.00 -1.84 0.00 0.00 35.03 33.60 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 -1.00 2.40 0.00 1.97 -0.14 -1.26 -5.02 119.74 116.69 1j3t s LYS 23 Ca 0.00 -1.52 0.00 0.00 -1.36 0.00 0.00 55.97 53.09 1j3t s LYS 23 Cb 0.00 -2.20 0.01 0.00 -1.68 0.00 0.00 37.83 33.96 1j3t s LYS 23 CO 0.00 0.12 0.29 -0.25 -0.76 0.00 0.00 175.35 174.76 1j3t n ASP 24 N -1.16 0.00 0.00 2.83 9.92 -1.26 -1.47 116.55 125.41 1j3t n ASP 24 Ca -0.03 -0.56 0.00 0.00 -0.53 0.00 0.00 54.79 53.67 1j3t n ASP 24 Cb 0.61 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.09 1j3t n ASP 24 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1j3t n ASN 25 N -0.51 1.04 -4.93 -2.24 4.13 -1.26 -5.09 115.26 106.40 1j3t n ASN 25 Ca 0.00 -1.37 -0.28 0.00 1.68 0.00 0.00 54.58 54.61 1j3t n ASN 25 Cb 0.00 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.21 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 -0.37 3.49 0.39 3.10 3.76 -0.54 -0.34 115.29 124.78 1j3t s HIS 26 Ca 0.00 0.22 -0.15 0.00 -0.15 0.00 0.00 55.06 54.99 1j3t s HIS 26 Cb 0.00 -1.75 -0.08 0.00 1.11 0.00 0.00 32.58 31.86 1j3t s HIS 26 CO 0.00 0.51 0.81 -1.17 -0.85 0.00 0.00 174.74 174.04 1j3t s LEU 27 N -3.01 3.92 -0.17 0.89 1.98 -0.09 -4.61 118.68 117.60 1j3t s LEU 27 Ca 0.36 1.33 0.01 0.00 -2.89 0.00 0.00 54.13 52.94 1j3t s LEU 27 Cb -0.12 -4.18 0.02 0.00 0.66 0.00 0.00 46.19 42.56 1j3t s LEU 27 CO 0.28 -0.33 -0.20 0.20 -1.89 0.00 0.00 176.35 174.41 1j3t s ASN 28 N -2.62 3.18 0.17 3.68 0.01 -1.26 -3.33 114.94 114.78 1j3t s ASN 28 Ca 0.55 -0.62 0.00 0.00 -0.71 0.00 0.00 52.86 52.08 1j3t s ASN 28 Cb -0.10 -1.48 -0.04 0.00 0.41 0.00 0.00 41.25 40.03 1j3t s ASN 28 CO 0.23 0.03 0.05 0.72 -1.51 0.00 0.00 177.10 176.61 1j3t s PHE 29 N 1.13 1.13 0.48 2.20 -0.12 -0.28 -4.96 117.98 117.58 1j3t s PHE 29 Ca 0.01 -1.15 0.07 0.00 -0.05 0.00 0.00 56.93 55.80 1j3t s PHE 29 Cb -0.14 -0.64 0.03 0.00 -0.63 0.00 0.00 43.02 41.65 1j3t s PHE 29 CO -0.09 -0.38 0.66 -1.12 -0.05 0.00 0.00 175.22 174.24 1j3t s SER 30 N -3.15 5.44 0.12 1.98 0.01 -1.26 -0.82 113.70 116.02 1j3t s SER 30 Ca 0.27 -0.43 -0.31 0.00 1.31 0.00 0.00 55.95 56.79 1j3t s SER 30 Cb 0.07 -0.49 -0.08 0.00 0.21 0.00 0.00 66.02 65.73 1j3t s SER 30 CO 0.05 -0.98 1.43 -0.75 0.41 0.00 0.00 173.24 173.41 1j3t s LYS 31 N -4.51 4.30 0.00 12.44 2.20 -1.23 -2.89 119.74 130.05 1j3t s LYS 31 Ca 0.57 2.14 0.00 0.00 -0.36 0.00 0.00 55.97 58.32 1j3t s LYS 31 Cb -0.09 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 1j3t s LYS 31 CO 0.35 -0.48 0.00 0.72 -0.36 0.00 0.00 175.35 175.59 1j3t n HIS 32 N 3.99 0.00 -1.94 4.03 8.25 -0.26 -4.93 115.22 124.37 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 0.41 -0.20 0.03 0.00 1.12 0.00 0.00 29.99 31.36 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 -2.33 5.32 -0.20 0.41 1.11 -1.14 -4.60 116.67 115.24 1j3t s ASP 33 Ca 0.00 2.55 -0.10 0.00 0.18 0.00 0.00 52.55 55.19 1j3t s ASP 33 Cb 0.00 -2.62 -0.05 0.00 1.07 0.00 0.00 42.92 41.33 1j3t s ASP 33 CO 0.00 -1.51 0.12 -0.63 1.18 0.00 0.00 175.17 174.33 1j3t s ILE 34 N -1.44 5.25 -0.07 0.77 -1.09 -1.26 0.00 121.20 123.36 1j3t s ILE 34 Ca 0.73 0.13 0.05 0.00 -2.23 0.00 0.00 60.65 59.34 1j3t s ILE 34 Cb -0.35 -3.40 -0.01 0.00 -1.58 0.00 0.00 42.46 37.12 1j3t s ILE 34 CO 0.40 0.42 -0.22 -0.63 -1.23 0.00 0.00 174.94 173.68 1j3t s ILE 35 N 0.52 1.88 -0.47 2.92 1.09 -0.43 -4.81 121.20 121.89 1j3t s ILE 35 Ca 0.07 -0.95 -0.28 0.00 -1.10 0.00 0.00 60.65 58.39 1j3t s ILE 35 Cb -0.12 -1.61 -0.01 0.00 -1.06 0.00 0.00 42.46 39.66 1j3t s ILE 35 CO -0.00 0.52 1.72 -0.89 -0.10 0.00 0.00 174.94 176.20 1j3t s THR 36 N 0.05 3.53 0.57 2.92 2.01 0.03 -1.47 115.64 123.28 1j3t s THR 36 Ca -0.08 0.46 -0.18 0.00 0.31 0.00 0.00 61.69 62.20 1j3t s THR 36 Cb -0.15 -3.92 -0.05 0.00 0.01 0.00 0.00 72.50 68.40 1j3t s THR 36 CO 0.05 -0.72 1.10 -0.69 -0.69 0.00 0.00 174.62 173.66 1j3t s VAL 37 N 7.38 3.40 0.00 3.82 1.01 0.75 -0.18 120.40 136.58 1j3t s VAL 37 Ca 0.70 0.79 0.00 0.00 0.00 0.00 0.00 61.98 63.46 1j3t s VAL 37 Cb -0.16 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1j3t s VAL 37 CO 0.28 -0.27 0.00 0.18 0.00 0.00 0.00 175.10 175.29 1j3t n LEU 38 N -1.59 0.00 -3.57 3.92 4.77 0.13 -3.88 117.00 116.78 1j3t n LEU 38 Ca 0.10 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.96 1j3t n LEU 38 Cb 0.52 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 1j3t n LEU 38 CO 0.44 0.00 0.26 -0.70 -1.33 0.00 0.00 177.39 176.06 1j3t s GLU 39 N -0.22 1.08 -0.13 3.23 2.56 -1.13 -4.94 118.70 119.14 1j3t s GLU 39 Ca 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 54.97 54.54 1j3t s GLU 39 Cb 0.00 0.49 0.04 0.00 2.00 0.00 0.00 34.13 36.66 1j3t s GLU 39 CO 0.00 -0.41 0.02 -0.65 -0.56 0.00 0.00 175.26 173.66 1j3t s GLN 40 N -3.02 0.60 0.83 4.30 -0.21 -1.26 -0.62 119.66 120.28 1j3t s GLN 40 Ca -0.02 -0.12 -0.13 0.00 0.02 0.00 0.00 55.36 55.11 1j3t s GLN 40 Cb -0.00 -1.50 0.19 0.00 1.00 0.00 0.00 33.01 32.70 1j3t s GLN 40 CO -0.06 -0.46 1.14 1.04 -2.12 0.00 0.00 175.29 174.82 1j3t n GLN 41 N 5.11 -0.98 -0.51 2.91 1.13 0.55 -4.97 117.38 120.62 1j3t n GLN 41 Ca -0.08 -1.91 0.42 0.00 -1.94 0.00 0.00 57.00 53.49 1j3t n GLN 41 Cb 0.49 -1.12 0.70 0.00 0.11 0.00 0.00 30.24 30.42 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 0.01 0.00 -1.09 9.09 -2.03 -3.37 114.58 117.19 1j3t h GLU 42 Ca -0.37 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.04 1j3t h GLU 42 Cb 1.06 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.15 1j3t h GLU 42 CO 0.28 0.01 0.00 0.09 0.05 0.00 0.00 179.01 179.44 1j3t n ASN 43 N -4.59 0.00 -4.74 3.06 3.02 -1.26 -5.09 115.26 105.66 1j3t n ASN 43 Ca 0.41 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.55 1j3t n ASN 43 Cb 1.63 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 40.75 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 -1.00 3.78 0.11 3.10 0.52 -1.26 -1.35 118.94 122.84 1j3t s TRP 44 Ca 0.00 1.63 0.09 0.00 0.02 0.00 0.00 56.10 57.84 1j3t s TRP 44 Cb 0.00 -2.93 -0.04 0.00 -1.15 0.00 0.00 33.47 29.35 1j3t s TRP 44 CO 0.00 0.25 -0.17 -1.58 0.02 0.00 0.00 176.95 175.47 1j3t s TRP 45 N -0.08 2.56 0.30 -1.98 0.51 -0.09 -0.33 118.94 119.83 1j3t s TRP 45 Ca 0.42 -0.25 -0.08 0.00 -2.12 0.00 0.00 56.10 54.07 1j3t s TRP 45 Cb -0.22 -1.36 -0.06 0.00 -0.81 0.00 0.00 33.47 31.02 1j3t s TRP 45 CO 0.26 0.38 0.61 0.12 -0.51 0.00 0.00 176.95 177.81 1j3t s PHE 46 N -1.13 3.46 0.06 -1.98 5.36 0.21 -0.31 117.98 123.64 1j3t s PHE 46 Ca 0.18 0.81 -0.20 0.00 -0.96 0.00 0.00 56.93 56.76 1j3t s PHE 46 Cb -0.11 -2.23 0.07 0.00 -0.34 0.00 0.00 43.02 40.41 1j3t s PHE 46 CO 0.10 0.13 0.92 0.41 -1.46 0.00 0.00 175.22 175.32 1j3t n GLY 47 N -0.79 0.52 2.83 13.12 0.00 -0.61 -0.69 105.19 119.57 1j3t n GLY 47 Ca -0.00 -1.05 -0.14 0.00 0.00 0.00 0.00 46.02 44.83 1j3t n GLY 47 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1j3t s GLU 48 N -2.03 0.01 -0.00 1.61 2.12 0.75 -1.62 118.70 119.55 1j3t s GLU 48 Ca 0.21 0.23 -0.12 0.00 0.36 0.00 0.00 54.97 55.65 1j3t s GLU 48 Cb -0.01 -0.19 0.01 0.00 0.26 0.00 0.00 34.13 34.20 1j3t s GLU 48 CO 0.02 -0.15 0.24 0.54 -0.54 0.00 0.00 175.26 175.38 1j3t s VAL 49 N 0.97 0.07 -1.36 3.70 0.11 -0.05 -0.79 120.40 123.05 1j3t s VAL 49 Ca -0.08 -0.57 0.00 0.00 -2.93 0.00 0.00 61.98 58.40 1j3t s VAL 49 Cb -0.11 -0.56 0.00 0.00 -1.53 0.00 0.00 36.38 34.18 1j3t s VAL 49 CO -0.03 -0.31 0.00 1.41 -3.33 0.00 0.00 175.10 172.83 1j3t n HIS 50 N 1.30 -0.07 -1.40 1.54 8.25 -1.26 -1.07 115.22 122.52 1j3t n HIS 50 Ca -0.22 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.11 1j3t n HIS 50 Cb 0.56 -2.80 -0.05 0.00 1.12 0.00 0.00 29.99 28.81 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 0.05 1.30 3.64 -1.41 0.00 -1.26 -5.03 105.19 102.48 1j3t n GLY 51 Ca -0.13 -0.44 -0.26 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.85 1.70 0.30 -0.02 0.00 -0.23 -5.14 107.32 101.08 1j3t s GLY 52 Ca 0.00 -1.45 0.07 0.00 0.00 0.00 0.00 44.72 43.34 1j3t s GLY 52 CO 0.00 -1.48 -0.06 0.50 0.00 0.00 0.00 173.10 172.07 1j3t s ARG 53 N -3.08 1.61 0.00 2.90 0.52 -1.26 -0.87 118.95 118.77 1j3t s ARG 53 Ca 0.28 -1.82 0.00 0.00 -0.52 0.00 0.00 55.73 53.66 1j3t s ARG 53 Cb -0.09 -1.24 0.00 0.00 0.52 0.00 0.00 34.95 34.15 1j3t s ARG 53 CO 0.18 0.04 0.00 0.41 0.02 0.00 0.00 175.30 175.95 1j3t n GLY 54 N -0.63 1.13 3.86 -3.53 0.00 -0.64 -4.48 105.19 100.91 1j3t n GLY 54 Ca -0.05 -1.12 -0.31 0.00 0.00 0.00 0.00 46.02 44.54 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 3.48 -0.08 1.61 0.52 0.53 -1.58 118.94 121.42 1j3t s TRP 55 Ca 0.00 1.19 -0.26 0.00 0.02 0.00 0.00 56.10 57.05 1j3t s TRP 55 Cb 0.00 -2.57 0.06 0.00 -1.15 0.00 0.00 33.47 29.81 1j3t s TRP 55 CO 0.00 -0.23 0.59 -0.59 0.02 0.00 0.00 176.95 176.74 1j3t s PHE 56 N -2.51 -0.56 0.12 -1.98 -0.71 0.57 -0.91 117.98 111.99 1j3t s PHE 56 Ca 0.54 1.05 -0.31 0.00 -1.04 0.00 0.00 56.93 57.17 1j3t s PHE 56 Cb -0.10 0.31 -0.08 0.00 -1.21 0.00 0.00 43.02 41.94 1j3t s PHE 56 CO 0.33 -0.51 1.44 -2.14 -1.34 0.00 0.00 175.22 173.00 1j3t s PRO 57 N -0.93 4.29 0.56 1.99 0.02 -1.26 -0.92 135.00 138.75 1j3t s PRO 57 Ca -0.09 2.14 0.34 0.00 0.02 0.00 0.00 61.00 63.40 1j3t s PRO 57 Cb -0.02 -3.25 1.56 0.00 0.02 0.00 0.00 34.50 32.81 1j3t s PRO 57 CO 0.07 -0.49 2.07 1.57 -0.33 0.00 0.00 177.00 179.89 1j3t h LYS 58 N 6.90 0.00 0.00 5.54 2.10 -1.58 -2.33 116.57 127.21 1j3t h LYS 58 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 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 0.88 0.05 0.00 -1.13 -2.00 0.00 0.00 179.45 177.25 1j3t n SER 59 N -3.24 0.09 -0.78 7.07 3.41 -1.26 -1.20 113.62 117.70 1j3t n SER 59 Ca -0.01 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.26 1j3t n SER 59 Cb 0.26 -0.55 0.30 0.00 -0.26 0.00 0.00 64.21 63.96 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 -1.61 0.12 -4.24 7.33 4.02 -0.88 -4.95 117.16 116.95 1j3t n TYR 60 Ca 0.01 -0.06 -0.15 0.00 -0.01 0.00 0.00 57.90 57.69 1j3t n TYR 60 Cb 0.08 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.31 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 -1.88 0.00 -0.01 -0.72 -7.23 -0.34 -0.17 120.40 110.04 1j3t s VAL 61 Ca 0.34 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.53 1j3t s VAL 61 Cb 0.20 -2.50 -0.00 0.00 0.56 0.00 0.00 36.38 34.64 1j3t s VAL 61 CO 0.31 0.00 -0.07 -1.59 -0.31 0.00 0.00 175.10 173.44 1j3t s LYS 62 N -3.83 0.60 0.71 4.82 -2.85 0.46 -4.81 119.74 114.84 1j3t s LYS 62 Ca 0.40 -0.24 -0.15 0.00 -1.00 0.00 0.00 55.97 54.98 1j3t s LYS 62 Cb 0.05 -0.59 0.03 0.00 -2.06 0.00 0.00 37.83 35.26 1j3t s LYS 62 CO 0.19 0.12 1.19 0.42 0.10 0.00 0.00 175.35 177.38 1j3t s ILE 63 N -0.04 2.51 0.01 3.79 1.01 -1.26 -0.57 121.20 126.64 1j3t s ILE 63 Ca 0.01 0.25 0.06 0.00 0.00 0.00 0.00 60.65 60.98 1j3t s ILE 63 Cb -0.04 -2.82 -0.02 0.00 0.01 0.00 0.00 42.46 39.59 1j3t s ILE 63 CO -0.00 -0.13 -0.20 -0.63 0.00 0.00 0.00 174.94 173.98 1j3t s ILE 64 N -2.03 1.57 -0.98 2.92 1.01 -1.10 -4.77 121.20 117.82 1j3t s ILE 64 Ca 0.73 -0.96 0.25 0.00 0.00 0.00 0.00 60.65 60.67 1j3t s ILE 64 Cb -0.28 -1.33 0.02 0.00 0.01 0.00 0.00 42.46 40.89 1j3t s ILE 64 CO 0.44 0.34 1.44 -0.81 0.00 0.00 0.00 174.94 176.35 1j3t n PRO 65 N 2.32 0.01 0.00 2.79 -0.04 -1.26 -4.74 135.00 134.09 1j3t n PRO 65 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1j3t n PRO 65 Cb 0.53 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1j3t n PRO 65 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j3t n GLY 66 N 1.49 -1.50 0.30 0.55 0.00 -1.26 -5.08 105.19 99.69 1j3t n GLY 66 Ca 0.05 0.61 -0.03 0.00 0.00 0.00 0.00 46.02 46.66 1j3t n GLY 66 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1j3t h SER 67 N 0.00 0.75 -1.90 1.61 0.87 -1.96 -3.29 113.55 109.63 1j3t h SER 67 Ca 0.00 -0.14 -0.65 0.00 -1.23 0.00 0.00 61.79 59.77 1j3t h SER 67 Cb 0.00 -0.20 -0.14 0.00 -0.44 0.00 0.00 62.40 61.62 1j3t h SER 67 CO 0.00 0.75 1.09 -0.70 -0.53 0.00 0.00 176.83 177.44 1j3t s GLU 68 N -5.17 3.58 -0.22 2.24 2.12 -1.26 -4.97 118.70 115.02 1j3t s GLU 68 Ca -0.10 -1.48 -0.37 0.00 0.36 0.00 0.00 54.97 53.39 1j3t s GLU 68 Cb 0.15 -5.07 -0.13 0.00 0.26 0.00 0.00 34.13 29.34 1j3t s GLU 68 CO 0.80 -1.95 1.90 0.43 -0.54 0.00 0.00 175.26 175.90 1j3t n SER 69 N 7.51 2.80 -4.64 -1.70 7.64 -1.24 -4.99 113.62 118.99 1j3t n SER 69 Ca 0.27 0.89 -0.25 0.00 1.01 0.00 0.00 58.87 60.79 1j3t n SER 69 Cb 0.50 -1.26 -0.08 0.00 -1.01 0.00 0.00 64.21 62.35 1j3t n SER 69 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1j3t s GLY 70 N 4.60 2.07 0.00 0.23 0.00 -1.26 -5.07 107.32 107.88 1j3t s GLY 70 Ca 0.98 -1.96 0.28 0.00 0.00 0.00 0.00 44.72 44.03 1j3t s GLY 70 CO 0.56 -1.89 1.80 -1.55 0.00 0.00 0.00 173.10 172.02 1j3t n PRO 71 N -0.98 0.59 0.00 2.90 -0.04 -1.26 -4.92 135.00 131.29 1j3t n PRO 71 Ca -0.04 -0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.20 1j3t n PRO 71 Cb 0.62 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 1j3t n PRO 71 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1j3t n SER 72 N -1.01 0.00 -4.73 3.54 2.88 -1.26 -5.07 113.62 107.96 1j3t n SER 72 Ca 0.13 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.26 1j3t n SER 72 Cb 0.29 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.71 1j3t n SER 72 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1j3t s SER 73 N 0.00 7.50 0.00 -3.46 0.01 -1.26 -5.29 113.70 111.20 1j3t s SER 73 Ca 0.00 1.79 0.19 0.00 1.31 0.00 0.00 55.95 59.24 1j3t s SER 73 Cb 0.00 -2.58 0.15 0.00 0.21 0.00 0.00 66.02 63.80 1j3t s SER 73 CO 0.00 -0.04 1.10 0.61 0.41 0.00 0.00 173.24 175.32