#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 -0.01 0.00 1.61 7.64 -1.26 -4.74 113.62 116.86 1j3t n SER 2 Ca 0.00 -1.18 0.00 0.00 1.01 0.00 0.00 58.87 58.70 1j3t n SER 2 Cb 0.00 -2.07 0.00 0.00 -1.01 0.00 0.00 64.21 61.13 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 -2.85 0.00 0.00 6.43 7.64 -1.26 -5.14 113.62 118.44 1j3t n SER 3 Ca -0.24 -0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.51 1j3t n SER 3 Cb 0.65 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 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 2.33 0.00 0.23 0.00 -1.26 -4.75 105.19 101.74 1j3t n GLY 4 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 0.06 0.00 -3.68 1.61 2.88 -1.26 -5.06 113.62 108.17 1j3t n SER 5 Ca 0.00 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.29 1j3t n SER 5 Cb 0.00 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.29 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 1.00 2.13 0.00 -3.46 0.01 -1.26 -5.03 113.70 107.08 1j3t s SER 6 Ca 0.00 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 56.82 1j3t s SER 6 Cb 0.00 -0.34 0.00 0.00 0.21 0.00 0.00 66.02 65.89 1j3t s SER 6 CO 0.00 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 173.97 1j3t n GLY 7 N 5.21 1.89 0.00 3.44 0.00 -1.26 -5.20 105.19 109.27 1j3t n GLY 7 Ca -0.07 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.69 1.61 0.24 -1.26 -5.09 118.33 113.14 1j3t n VAL 8 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.98 1j3t n VAL 8 Cb 0.00 0.00 0.16 0.00 -1.47 0.00 0.00 33.84 32.53 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 0.00 -1.00 -0.43 7.34 2.13 -1.26 -5.01 120.64 122.41 1j3t n GLU 9 Ca 0.00 -0.25 -0.28 0.00 0.66 0.00 0.00 57.16 57.28 1j3t n GLU 9 Cb 0.00 -1.95 0.25 0.00 0.27 0.00 0.00 31.44 30.01 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 -2.46 -2.81 -4.75 4.31 3.02 -1.26 -4.97 115.26 106.35 1j3t n ASN 10 Ca 0.05 -0.42 -0.36 0.00 -0.03 0.00 0.00 54.58 53.83 1j3t n ASN 10 Cb 0.56 -1.06 0.05 0.00 -0.61 0.00 0.00 39.78 38.71 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 -5.55 3.61 0.09 3.41 2.96 -1.24 -4.86 118.68 117.09 1j3t s LEU 11 Ca 0.62 2.41 0.08 0.00 -0.22 0.00 0.00 54.13 57.02 1j3t s LEU 11 Cb -0.17 -4.60 -0.03 0.00 0.50 0.00 0.00 46.19 41.89 1j3t s LEU 11 CO 0.60 -1.73 -0.21 -0.54 -1.32 0.00 0.00 176.35 173.15 1j3t s LYS 12 N -3.43 1.21 -0.02 1.98 -0.14 -1.26 0.16 119.74 118.24 1j3t s LYS 12 Ca 0.77 -1.11 0.00 0.00 -1.36 0.00 0.00 55.97 54.28 1j3t s LYS 12 Cb -0.31 -1.44 0.03 0.00 -1.68 0.00 0.00 37.83 34.43 1j3t s LYS 12 CO 0.36 0.34 0.02 0.00 -0.76 0.00 0.00 175.35 175.31 1j3t s ALA 13 N -1.06 0.14 -0.15 5.17 0.00 -0.50 -2.11 121.76 123.25 1j3t s ALA 13 Ca 0.07 0.27 -0.26 0.00 0.00 0.00 0.00 51.96 52.05 1j3t s ALA 13 Cb -0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 1j3t s ALA 13 CO 0.04 -0.10 0.84 -1.14 0.00 0.00 0.00 175.76 175.39 1j3t s GLN 14 N 1.07 4.32 0.47 0.00 0.74 -0.22 -1.76 119.66 124.28 1j3t s GLN 14 Ca -0.09 1.05 -0.24 0.00 0.05 0.00 0.00 55.36 56.13 1j3t s GLN 14 Cb -0.13 -3.56 -0.07 0.00 1.10 0.00 0.00 33.01 30.35 1j3t s GLN 14 CO -0.03 -0.29 1.29 0.00 -0.55 0.00 0.00 175.29 175.72 1j3t s ALA 15 N 2.00 3.02 -0.56 1.58 0.00 0.36 -1.67 121.76 126.50 1j3t s ALA 15 Ca 0.39 1.20 0.05 0.00 0.00 0.00 0.00 51.96 53.61 1j3t s ALA 15 Cb -0.17 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 19.48 1j3t s ALA 15 CO 0.14 -1.00 0.59 1.28 0.00 0.00 0.00 175.76 176.76 1j3t n LEU 16 N -0.49 1.25 -3.55 0.00 4.77 0.34 -0.93 117.00 118.39 1j3t n LEU 16 Ca 0.07 -0.93 -0.13 0.00 -0.03 0.00 0.00 56.01 54.99 1j3t n LEU 16 Cb 0.45 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.49 1j3t n LEU 16 CO 0.53 0.27 0.64 0.00 -1.33 0.00 0.00 177.39 177.49 1j3t s SER 18 N -1.28 6.75 -0.16 0.00 0.01 -1.26 -4.19 113.70 113.57 1j3t s SER 18 Ca -0.05 2.69 -0.15 0.00 1.31 0.00 0.00 55.95 59.75 1j3t s SER 18 Cb -0.00 -2.64 0.04 0.00 0.21 0.00 0.00 66.02 63.62 1j3t s SER 18 CO 0.03 -0.57 0.42 0.86 0.41 0.00 0.00 173.24 174.40 1j3t s TRP 19 N -0.92 -0.46 0.32 2.43 -0.00 0.05 -4.88 118.94 115.47 1j3t s TRP 19 Ca 0.51 1.13 -0.14 0.00 -0.00 0.00 0.00 56.10 57.60 1j3t s TRP 19 Cb -0.40 0.16 -0.08 0.00 -0.00 0.00 0.00 33.47 33.14 1j3t s TRP 19 CO 0.51 -0.22 0.71 0.95 -0.00 0.00 0.00 176.95 178.90 1j3t s THR 20 N 0.24 4.73 0.55 5.86 -4.23 -1.26 -1.78 115.64 119.75 1j3t s THR 20 Ca -0.00 0.84 -0.19 0.00 -1.18 0.00 0.00 61.69 61.16 1j3t s THR 20 Cb -0.03 -3.62 -0.06 0.00 1.34 0.00 0.00 72.50 70.13 1j3t s THR 20 CO 0.00 -0.20 1.09 0.00 -0.54 0.00 0.00 174.62 174.97 1j3t s ALA 21 N -2.00 2.73 0.00 3.99 0.00 -1.25 -4.88 121.76 120.35 1j3t s ALA 21 Ca 0.53 0.65 0.00 0.00 0.00 0.00 0.00 51.96 53.14 1j3t s ALA 21 Cb -0.10 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1j3t s ALA 21 CO 0.19 -0.70 0.01 1.63 0.00 0.00 0.00 175.76 176.89 1j3t n LYS 22 N -1.46 0.22 -3.96 0.00 4.76 -1.26 -5.05 118.16 111.41 1j3t n LYS 22 Ca 0.10 -0.01 -0.09 0.00 -2.87 0.00 0.00 58.31 55.44 1j3t n LYS 22 Cb 0.52 -0.15 -0.07 0.00 -1.84 0.00 0.00 35.03 33.48 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 -0.03 1.05 0.55 1.97 -0.14 -1.26 -5.05 119.74 116.83 1j3t s LYS 23 Ca 0.00 -1.15 0.22 0.00 -1.36 0.00 0.00 55.97 53.68 1j3t s LYS 23 Cb 0.00 0.35 1.52 0.00 -1.68 0.00 0.00 37.83 38.02 1j3t s LYS 23 CO 0.00 -0.36 2.20 0.22 -0.76 0.00 0.00 175.35 176.64 1j3t h ASP 24 N 2.63 0.00 -0.09 2.83 3.58 -2.03 -1.17 116.42 122.18 1j3t h ASP 24 Ca -0.33 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.12 1j3t h ASP 24 Cb 1.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.27 1j3t h ASP 24 CO 0.51 0.00 0.00 0.59 -2.88 0.00 0.00 179.24 177.47 1j3t n ASN 25 N -4.23 2.10 -4.82 2.28 4.13 -1.26 -4.98 115.26 108.48 1j3t n ASN 25 Ca -0.03 -1.71 -0.33 0.00 1.68 0.00 0.00 54.58 54.19 1j3t n ASN 25 Cb 0.09 -0.05 -0.03 0.00 -1.54 0.00 0.00 39.78 38.25 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 -1.91 3.22 0.41 3.10 3.76 -0.44 -0.16 115.29 123.27 1j3t s HIS 26 Ca 0.34 1.52 -0.06 0.00 -0.15 0.00 0.00 55.06 56.71 1j3t s HIS 26 Cb 0.20 -2.91 -0.05 0.00 1.11 0.00 0.00 32.58 30.94 1j3t s HIS 26 CO 0.31 -0.60 0.71 -1.17 -0.85 0.00 0.00 174.74 173.14 1j3t s LEU 27 N -3.93 3.81 -0.01 0.89 1.98 -0.09 -4.53 118.68 116.80 1j3t s LEU 27 Ca 0.62 0.90 0.03 0.00 -2.89 0.00 0.00 54.13 52.79 1j3t s LEU 27 Cb -0.12 -3.80 -0.00 0.00 0.66 0.00 0.00 46.19 42.92 1j3t s LEU 27 CO 0.28 -0.42 -0.09 0.54 -1.89 0.00 0.00 176.35 174.77 1j3t s ASN 28 N -3.61 1.09 0.17 3.68 6.03 -1.26 -3.78 114.94 117.26 1j3t s ASN 28 Ca 0.47 -0.17 0.01 0.00 -1.03 0.00 0.00 52.86 52.14 1j3t s ASN 28 Cb -0.10 -0.19 -0.04 0.00 -3.03 0.00 0.00 41.25 37.89 1j3t s ASN 28 CO 0.37 0.09 0.03 0.72 -2.03 0.00 0.00 177.10 176.28 1j3t s PHE 29 N -0.05 1.15 0.53 1.54 -0.12 -0.73 -4.92 117.98 115.38 1j3t s PHE 29 Ca 0.01 -1.11 0.02 0.00 -0.05 0.00 0.00 56.93 55.80 1j3t s PHE 29 Cb -0.05 -0.65 0.03 0.00 -0.63 0.00 0.00 43.02 41.71 1j3t s PHE 29 CO -0.00 -0.32 0.75 -1.12 -0.05 0.00 0.00 175.22 174.48 1j3t s SER 30 N -3.15 5.35 0.42 1.98 0.01 -1.26 -0.77 113.70 116.27 1j3t s SER 30 Ca 0.26 -0.02 -0.26 0.00 1.31 0.00 0.00 55.95 57.23 1j3t s SER 30 Cb 0.07 -0.90 -0.09 0.00 0.21 0.00 0.00 66.02 65.31 1j3t s SER 30 CO 0.05 -1.08 1.35 -0.75 0.41 0.00 0.00 173.24 173.22 1j3t s LYS 31 N -4.71 3.90 0.00 12.44 2.20 -1.26 -2.80 119.74 129.50 1j3t s LYS 31 Ca 0.56 2.27 0.00 0.00 -0.36 0.00 0.00 55.97 58.44 1j3t s LYS 31 Cb -0.10 -2.75 0.00 0.00 -1.51 0.00 0.00 37.83 33.47 1j3t s LYS 31 CO 0.38 -0.59 0.00 0.72 -0.36 0.00 0.00 175.35 175.50 1j3t n HIS 32 N 0.07 0.00 -1.58 4.03 8.25 -0.10 -4.91 115.22 120.98 1j3t n HIS 32 Ca 0.04 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.14 1j3t n HIS 32 Cb 0.43 -0.74 0.08 0.00 1.12 0.00 0.00 29.99 30.88 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 -2.54 4.37 -0.34 0.41 1.01 -1.12 -4.63 116.67 113.83 1j3t s ASP 33 Ca 0.00 2.48 -0.04 0.00 0.71 0.00 0.00 52.55 55.71 1j3t s ASP 33 Cb 0.00 -2.60 0.06 0.00 1.01 0.00 0.00 42.92 41.39 1j3t s ASP 33 CO 0.00 -2.15 0.08 -0.63 0.21 0.00 0.00 175.17 172.68 1j3t s ILE 34 N -1.71 3.36 -0.17 0.77 -1.09 -1.26 -0.49 121.20 120.61 1j3t s ILE 34 Ca 0.78 -1.44 -0.04 0.00 -2.23 0.00 0.00 60.65 57.72 1j3t s ILE 34 Cb -0.33 -3.00 -0.03 0.00 -1.58 0.00 0.00 42.46 37.52 1j3t s ILE 34 CO 0.42 -0.26 -0.02 -0.63 -1.23 0.00 0.00 174.94 173.22 1j3t s ILE 35 N 1.29 3.95 -0.55 2.92 1.09 -0.73 -4.77 121.20 124.41 1j3t s ILE 35 Ca -0.01 -0.33 -0.27 0.00 -1.10 0.00 0.00 60.65 58.94 1j3t s ILE 35 Cb -0.20 -2.75 -0.02 0.00 -1.06 0.00 0.00 42.46 38.43 1j3t s ILE 35 CO -0.00 0.47 1.79 -0.89 -0.10 0.00 0.00 174.94 176.21 1j3t s THR 36 N 0.62 3.43 0.50 2.92 2.01 -0.21 -1.41 115.64 123.50 1j3t s THR 36 Ca -0.02 0.32 -0.22 0.00 0.31 0.00 0.00 61.69 62.09 1j3t s THR 36 Cb -0.14 -3.94 -0.06 0.00 0.01 0.00 0.00 72.50 68.37 1j3t s THR 36 CO 0.02 -0.83 1.19 -0.69 -0.69 0.00 0.00 174.62 173.62 1j3t s VAL 37 N 8.27 2.93 0.00 3.82 1.01 0.12 -0.21 120.40 136.33 1j3t s VAL 37 Ca 0.68 0.66 0.00 0.00 0.00 0.00 0.00 61.98 63.32 1j3t s VAL 37 Cb -0.14 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1j3t s VAL 37 CO 0.24 -0.04 0.00 0.18 0.00 0.00 0.00 175.10 175.47 1j3t n LEU 38 N -0.83 0.00 -3.55 3.92 4.77 0.06 -3.69 117.00 117.69 1j3t n LEU 38 Ca 0.09 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.90 1j3t n LEU 38 Cb 0.48 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.51 1j3t n LEU 38 CO 0.47 0.00 0.38 -0.70 -1.33 0.00 0.00 177.39 176.21 1j3t s GLU 39 N -0.28 1.02 -0.26 3.23 2.12 -1.12 -4.96 118.70 118.45 1j3t s GLU 39 Ca 0.00 0.13 -0.03 0.00 0.36 0.00 0.00 54.97 55.43 1j3t s GLU 39 Cb 0.00 0.48 0.10 0.00 0.26 0.00 0.00 34.13 34.97 1j3t s GLU 39 CO 0.00 -0.33 0.17 -0.65 -0.54 0.00 0.00 175.26 173.91 1j3t s GLN 40 N -1.44 0.20 0.00 4.30 -0.21 -1.26 -0.54 119.66 120.71 1j3t s GLN 40 Ca -0.10 -0.32 0.00 0.00 0.02 0.00 0.00 55.36 54.96 1j3t s GLN 40 Cb -0.01 -1.16 0.00 0.00 1.00 0.00 0.00 33.01 32.84 1j3t s GLN 40 CO 0.07 -0.94 0.00 1.04 -2.12 0.00 0.00 175.29 173.35 1j3t n GLN 41 N 5.27 -0.08 0.30 2.91 1.13 -0.08 -4.92 117.38 121.91 1j3t n GLN 41 Ca -0.05 0.00 0.19 0.00 -1.94 0.00 0.00 57.00 55.20 1j3t n GLN 41 Cb 0.45 0.00 1.00 0.00 0.11 0.00 0.00 30.24 31.80 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 0.00 0.00 -1.09 9.09 -2.02 -3.38 114.58 117.18 1j3t h GLU 42 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1j3t h GLU 42 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1j3t h GLU 42 CO 0.00 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.15 1j3t n ASN 43 N -3.33 0.00 -4.75 3.06 3.02 -1.26 -5.11 115.26 106.88 1j3t n ASN 43 Ca -0.02 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.14 1j3t n ASN 43 Cb 0.20 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.31 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 -0.21 3.68 0.07 3.10 0.52 -1.26 -0.76 118.94 124.08 1j3t s TRP 44 Ca 0.00 1.23 0.08 0.00 0.02 0.00 0.00 56.10 57.44 1j3t s TRP 44 Cb 0.00 -2.66 -0.04 0.00 -1.15 0.00 0.00 33.47 29.63 1j3t s TRP 44 CO 0.00 0.31 -0.19 -1.58 0.02 0.00 0.00 176.95 175.51 1j3t s TRP 45 N -0.05 2.51 0.03 -1.98 0.52 0.18 -0.90 118.94 119.24 1j3t s TRP 45 Ca 0.33 -0.28 -0.11 0.00 0.02 0.00 0.00 56.10 56.06 1j3t s TRP 45 Cb -0.18 -1.40 -0.05 0.00 -1.15 0.00 0.00 33.47 30.68 1j3t s TRP 45 CO 0.18 0.29 0.36 0.12 0.02 0.00 0.00 176.95 177.92 1j3t s PHE 46 N -1.00 3.63 0.14 -1.98 5.36 0.30 -0.37 117.98 124.07 1j3t s PHE 46 Ca 0.15 0.80 -0.24 0.00 -0.96 0.00 0.00 56.93 56.68 1j3t s PHE 46 Cb -0.10 -2.15 0.08 0.00 -0.34 0.00 0.00 43.02 40.50 1j3t s PHE 46 CO 0.07 0.59 1.08 0.20 -1.46 0.00 0.00 175.22 175.69 1j3t s GLY 47 N -1.49 0.03 -0.09 13.12 0.00 -0.32 -0.76 107.32 117.80 1j3t s GLY 47 Ca 0.28 -0.20 -0.01 0.00 0.00 0.00 0.00 44.72 44.79 1j3t s GLY 47 CO 0.15 2.59 -0.04 1.85 0.00 0.00 0.00 173.10 177.65 1j3t s GLU 48 N -2.25 1.06 0.07 2.90 2.12 0.70 -0.80 118.70 122.50 1j3t s GLU 48 Ca 0.22 -0.08 -0.13 0.00 0.36 0.00 0.00 54.97 55.33 1j3t s GLU 48 Cb -0.02 -1.24 0.02 0.00 0.26 0.00 0.00 34.13 33.15 1j3t s GLU 48 CO 0.04 -0.26 0.30 0.54 -0.54 0.00 0.00 175.26 175.34 1j3t s VAL 49 N 1.73 0.09 -1.52 3.70 0.11 -0.29 -1.05 120.40 123.18 1j3t s VAL 49 Ca 0.03 -0.76 -0.07 0.00 -2.93 0.00 0.00 61.98 58.26 1j3t s VAL 49 Cb -0.13 -1.07 0.06 0.00 -1.53 0.00 0.00 36.38 33.71 1j3t s VAL 49 CO -0.06 -0.42 0.55 1.41 -3.33 0.00 0.00 175.10 173.26 1j3t n HIS 50 N 0.29 -1.70 -2.09 1.54 8.25 -1.26 -1.58 115.22 118.67 1j3t n HIS 50 Ca -0.17 0.77 -0.16 0.00 -0.26 0.00 0.00 57.72 57.89 1j3t n HIS 50 Cb 0.61 -3.46 -0.03 0.00 1.12 0.00 0.00 29.99 28.23 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 -1.80 0.21 2.95 -1.41 0.00 -1.26 -4.96 105.19 98.92 1j3t n GLY 51 Ca -0.17 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.16 0.23 0.13 -0.02 0.00 -0.61 -5.15 107.32 99.74 1j3t s GLY 52 Ca 0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 44.72 44.44 1j3t s GLY 52 CO 0.00 -0.19 0.39 0.50 0.00 0.00 0.00 173.10 173.80 1j3t s ARG 53 N -0.18 3.66 -0.09 2.90 0.52 -1.26 -1.13 118.95 123.36 1j3t s ARG 53 Ca 0.01 -0.00 -0.32 0.00 -0.52 0.00 0.00 55.73 54.89 1j3t s ARG 53 Cb -0.02 -2.87 0.13 0.00 0.52 0.00 0.00 34.95 32.71 1j3t s ARG 53 CO -0.00 0.48 1.41 0.20 0.02 0.00 0.00 175.30 177.41 1j3t s GLY 54 N -2.26 -0.42 0.41 -3.53 0.00 0.02 -4.64 107.32 96.90 1j3t s GLY 54 Ca 0.39 0.72 -0.21 0.00 0.00 0.00 0.00 44.72 45.62 1j3t s GLY 54 CO 0.23 2.12 0.93 -0.98 0.00 0.00 0.00 173.10 175.39 1j3t s TRP 55 N -2.03 3.35 0.06 1.90 0.52 0.77 -1.18 118.94 122.34 1j3t s TRP 55 Ca 0.20 1.59 -0.20 0.00 0.02 0.00 0.00 56.10 57.71 1j3t s TRP 55 Cb 0.05 -2.82 0.04 0.00 -1.15 0.00 0.00 33.47 29.59 1j3t s TRP 55 CO -0.06 -0.06 0.47 -0.59 0.02 0.00 0.00 176.95 176.73 1j3t s PHE 56 N -2.11 -0.34 -0.16 -1.98 -0.12 0.51 -0.91 117.98 112.87 1j3t s PHE 56 Ca 0.60 0.29 -0.29 0.00 -0.05 0.00 0.00 56.93 57.47 1j3t s PHE 56 Cb -0.10 0.30 -0.03 0.00 -0.63 0.00 0.00 43.02 42.55 1j3t s PHE 56 CO 0.14 -0.64 1.58 -1.25 -0.05 0.00 0.00 175.22 175.01 1j3t s PRO 57 N -2.74 3.98 0.61 1.99 0.05 -1.26 -0.65 135.00 136.98 1j3t s PRO 57 Ca -0.04 1.85 0.30 0.00 0.05 0.00 0.00 61.00 63.16 1j3t s PRO 57 Cb -0.00 -3.98 1.69 0.00 0.05 0.00 0.00 34.50 32.25 1j3t s PRO 57 CO -0.04 -1.06 2.06 1.57 0.05 0.00 0.00 177.00 179.58 1j3t h LYS 58 N 10.00 0.00 0.00 4.56 2.10 -1.28 -2.15 116.57 129.80 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 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1j3t h LYS 58 CO 0.98 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 179.09 1j3t h SER 59 N 0.00 0.00 0.43 7.07 4.64 -1.90 -1.28 113.55 122.51 1j3t h SER 59 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1j3t h SER 59 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1j3t h SER 59 CO -0.00 0.00 -0.05 -1.22 -0.87 0.00 0.00 176.83 174.69 1j3t n TYR 60 N -3.00 0.00 -4.25 4.77 4.02 -0.81 -4.92 117.16 112.97 1j3t n TYR 60 Ca -0.03 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.71 1j3t n TYR 60 Cb 0.09 -0.21 -0.10 0.00 -0.02 0.00 0.00 39.34 39.10 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 -2.48 0.13 0.05 -0.72 -7.23 -0.48 -0.50 120.40 109.16 1j3t s VAL 61 Ca 0.30 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.50 1j3t s VAL 61 Cb 0.20 -2.52 -0.02 0.00 0.56 0.00 0.00 36.38 34.60 1j3t s VAL 61 CO 0.46 0.00 -0.09 -1.59 -0.31 0.00 0.00 175.10 173.57 1j3t s LYS 62 N -3.96 0.57 0.70 4.82 -2.85 -0.67 -4.91 119.74 113.44 1j3t s LYS 62 Ca 0.39 -0.78 -0.16 0.00 -1.00 0.00 0.00 55.97 54.41 1j3t s LYS 62 Cb 0.06 -0.36 0.02 0.00 -2.06 0.00 0.00 37.83 35.49 1j3t s LYS 62 CO 0.16 0.07 1.21 0.42 0.10 0.00 0.00 175.35 177.31 1j3t s ILE 63 N -1.36 2.34 0.15 3.79 1.01 -1.26 -1.06 121.20 124.81 1j3t s ILE 63 Ca -0.09 0.18 0.09 0.00 0.00 0.00 0.00 60.65 60.83 1j3t s ILE 63 Cb -0.10 -2.81 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 1j3t s ILE 63 CO 0.01 -0.08 -0.20 -0.63 0.00 0.00 0.00 174.94 174.03 1j3t s ILE 64 N -1.89 1.90 0.00 2.92 1.01 -0.90 -4.78 121.20 119.47 1j3t s ILE 64 Ca 0.75 -1.82 0.00 0.00 0.00 0.00 0.00 60.65 59.58 1j3t s ILE 64 Cb -0.30 -1.82 0.00 0.00 0.01 0.00 0.00 42.46 40.35 1j3t s ILE 64 CO 0.43 -0.19 0.00 -0.81 0.00 0.00 0.00 174.94 174.37 1j3t n PRO 65 N 0.55 0.00 -4.42 2.79 -0.04 -1.26 -4.66 135.00 127.96 1j3t n PRO 65 Ca -0.15 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.09 1j3t n PRO 65 Cb 0.56 -0.09 -0.10 0.00 -0.04 0.00 0.00 33.50 33.82 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 -0.23 1.71 -0.12 0.55 0.00 -1.26 -4.93 107.32 103.03 1j3t s GLY 66 Ca 0.00 -1.79 0.10 0.00 0.00 0.00 0.00 44.72 43.03 1j3t s GLY 66 CO 0.00 -1.88 1.20 1.44 0.00 0.00 0.00 173.10 173.85 1j3t n SER 67 N -0.51 -0.56 -4.01 1.64 7.64 -1.26 -5.13 113.62 111.43 1j3t n SER 67 Ca -0.06 -2.07 -0.11 0.00 1.01 0.00 0.00 58.87 57.64 1j3t n SER 67 Cb 0.60 0.24 -0.08 0.00 -1.01 0.00 0.00 64.21 63.96 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 -0.35 1.41 -0.45 1.43 -1.05 -1.26 -5.12 118.70 113.32 1j3t s GLU 68 Ca 0.11 -1.52 0.07 0.00 -0.15 0.00 0.00 54.97 53.48 1j3t s GLU 68 Cb 0.22 0.36 0.18 0.00 -0.44 0.00 0.00 34.13 34.46 1j3t s GLU 68 CO -0.07 -0.53 0.67 -1.12 0.95 0.00 0.00 175.26 175.16 1j3t s SER 69 N -3.12 -1.49 0.33 0.83 0.01 -1.26 -5.18 113.70 103.82 1j3t s SER 69 Ca 0.32 -1.11 0.03 0.00 1.31 0.00 0.00 55.95 56.51 1j3t s SER 69 Cb 0.03 1.92 -0.01 0.00 0.21 0.00 0.00 66.02 68.17 1j3t s SER 69 CO 0.12 -0.13 0.37 0.61 0.41 0.00 0.00 173.24 174.62 1j3t n GLY 70 N 3.89 2.57 3.71 3.44 0.00 -1.26 -5.12 105.19 112.42 1j3t n GLY 70 Ca 0.13 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 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 -3.07 4.24 -0.16 1.61 0.04 -1.26 -5.01 135.00 131.39 1j3t s PRO 71 Ca 0.34 2.28 -0.04 0.00 0.04 0.00 0.00 61.00 63.62 1j3t s PRO 71 Cb 0.01 -3.26 0.08 0.00 0.04 0.00 0.00 34.50 31.36 1j3t s PRO 71 CO 0.24 -0.59 0.23 -1.54 0.04 0.00 0.00 177.00 175.38 1j3t s SER 72 N 1.38 0.88 0.26 6.66 1.04 -1.26 -4.97 113.70 117.69 1j3t s SER 72 Ca 0.69 0.16 0.03 0.00 0.48 0.00 0.00 55.95 57.31 1j3t s SER 72 Cb -0.41 0.50 0.36 0.00 0.10 0.00 0.00 66.02 66.57 1j3t s SER 72 CO 0.31 -0.28 1.67 0.28 0.98 0.00 0.00 173.24 176.19 1j3t h SER 73 N 8.31 0.43 0.00 7.02 0.02 -2.05 -3.52 113.55 123.76 1j3t h SER 73 Ca -0.16 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1j3t h SER 73 Cb 1.13 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1j3t h SER 73 CO 0.21 0.77 0.00 0.61 -1.14 0.00 0.00 176.83 177.28