#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 -2.31 -3.50 1.61 7.64 -1.26 -5.12 113.62 110.69 1j3t n SER 2 Ca 0.00 -2.74 -0.20 0.00 1.01 0.00 0.00 58.87 56.94 1j3t n SER 2 Cb 0.00 0.89 -0.13 0.00 -1.01 0.00 0.00 64.21 63.96 1j3t n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1j3t s SER 3 N 0.41 1.79 0.00 6.43 1.04 -1.26 -4.88 113.70 117.23 1j3t s SER 3 Ca 0.31 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.26 1j3t s SER 3 Cb 0.03 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1j3t s SER 3 CO -0.11 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.36 1j3t n GLY 4 N 5.31 -1.66 3.67 7.32 0.00 -1.26 -5.12 105.19 113.45 1j3t n GLY 4 Ca -0.05 0.44 -0.46 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.85 3.20 -3.73 1.61 7.64 -1.26 -4.97 113.62 114.26 1j3t n SER 5 Ca 0.00 1.08 -0.29 0.00 1.01 0.00 0.00 58.87 60.66 1j3t n SER 5 Cb 0.00 -1.44 0.22 0.00 -1.01 0.00 0.00 64.21 61.98 1j3t n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1j3t n SER 6 N 3.59 -0.85 0.00 6.43 2.88 -1.26 -4.51 113.62 119.91 1j3t n SER 6 Ca 0.17 -1.34 0.00 0.00 -1.33 0.00 0.00 58.87 56.37 1j3t n SER 6 Cb 0.29 -1.00 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 1j3t n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1j3t n GLY 7 N -4.07 2.22 4.09 0.46 0.00 -1.26 -4.65 105.19 101.99 1j3t n GLY 7 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.72 1.61 3.14 -1.26 -4.93 118.33 116.16 1j3t n VAL 8 Ca 0.00 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 61.07 1j3t n VAL 8 Cb 0.00 -0.22 0.17 0.00 -1.06 0.00 0.00 33.84 32.73 1j3t n VAL 8 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1j3t s GLU 9 N -0.45 0.92 0.39 1.45 -1.05 -1.26 -4.89 118.70 113.80 1j3t s GLU 9 Ca 0.00 1.45 0.00 0.00 -0.15 0.00 0.00 54.97 56.27 1j3t s GLU 9 Cb 0.00 -1.72 0.00 0.00 -0.44 0.00 0.00 34.13 31.97 1j3t s GLU 9 CO 0.00 -2.67 0.00 0.09 0.95 0.00 0.00 175.26 173.63 1j3t n ASN 10 N -4.25 -8.47 -4.76 0.83 3.02 -1.26 -4.83 115.26 95.53 1j3t n ASN 10 Ca 0.11 0.74 -0.38 0.00 -0.03 0.00 0.00 54.58 55.01 1j3t n ASN 10 Cb 0.52 -4.44 0.01 0.00 -0.61 0.00 0.00 39.78 35.26 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 -7.06 4.03 0.16 3.41 2.96 -1.24 -4.89 118.68 116.04 1j3t s LEU 11 Ca 0.00 2.61 0.10 0.00 -0.22 0.00 0.00 54.13 56.62 1j3t s LEU 11 Cb 0.00 -4.12 -0.04 0.00 0.50 0.00 0.00 46.19 42.53 1j3t s LEU 11 CO 0.00 -1.13 -0.21 -0.54 -1.32 0.00 0.00 176.35 173.15 1j3t s LYS 12 N -2.60 1.33 -0.02 1.98 1.02 -1.26 -0.25 119.74 119.94 1j3t s LYS 12 Ca 0.64 -1.39 0.01 0.00 0.02 0.00 0.00 55.97 55.25 1j3t s LYS 12 Cb -0.36 -1.55 0.01 0.00 -0.52 0.00 0.00 37.83 35.41 1j3t s LYS 12 CO 0.45 0.33 -0.03 0.00 -0.92 0.00 0.00 175.35 175.18 1j3t s ALA 13 N -1.67 0.42 -0.22 5.17 0.00 -1.01 -2.51 121.76 121.95 1j3t s ALA 13 Ca 0.15 -0.04 -0.25 0.00 0.00 0.00 0.00 51.96 51.82 1j3t s ALA 13 Cb -0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 1j3t s ALA 13 CO 0.07 0.02 0.86 -1.14 0.00 0.00 0.00 175.76 175.57 1j3t s GLN 14 N 0.49 4.22 0.57 0.00 0.74 -0.38 -1.93 119.66 123.38 1j3t s GLN 14 Ca -0.05 1.02 -0.21 0.00 0.05 0.00 0.00 55.36 56.17 1j3t s GLN 14 Cb -0.09 -3.63 -0.04 0.00 1.10 0.00 0.00 33.01 30.36 1j3t s GLN 14 CO -0.01 -0.49 1.36 0.00 -0.55 0.00 0.00 175.29 175.60 1j3t s ALA 15 N 2.73 2.72 0.00 1.58 0.00 0.66 -1.43 121.76 128.02 1j3t s ALA 15 Ca 0.37 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.67 1j3t s ALA 15 Cb -0.16 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1j3t s ALA 15 CO 0.08 -1.47 0.75 1.28 0.00 0.00 0.00 175.76 176.40 1j3t n LEU 16 N -1.25 1.32 -3.68 0.00 4.77 0.53 -0.83 117.00 117.87 1j3t n LEU 16 Ca 0.12 -1.32 -0.14 0.00 -0.03 0.00 0.00 56.01 54.64 1j3t n LEU 16 Cb 0.45 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.46 1j3t n LEU 16 CO 0.52 0.33 0.24 0.00 -1.33 0.00 0.00 177.39 177.15 1j3t s SER 18 N 0.16 6.65 0.04 0.00 1.04 -1.26 -3.90 113.70 116.43 1j3t s SER 18 Ca -0.01 0.48 0.03 0.00 0.48 0.00 0.00 55.95 56.93 1j3t s SER 18 Cb -0.04 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.52 1j3t s SER 18 CO 0.01 -1.20 -0.09 0.86 0.98 0.00 0.00 173.24 173.81 1j3t s TRP 19 N 4.31 0.77 0.15 5.02 -0.00 -0.30 -4.90 118.94 123.99 1j3t s TRP 19 Ca 0.47 -0.44 0.02 0.00 -0.00 0.00 0.00 56.10 56.15 1j3t s TRP 19 Cb -0.08 -0.46 -0.04 0.00 -0.00 0.00 0.00 33.47 32.90 1j3t s TRP 19 CO 0.30 -0.05 0.28 0.95 -0.00 0.00 0.00 176.95 178.43 1j3t s THR 20 N -1.21 5.30 0.97 5.86 -4.23 -1.26 -2.03 115.64 119.04 1j3t s THR 20 Ca -0.07 -0.69 -0.12 0.00 -1.18 0.00 0.00 61.69 59.63 1j3t s THR 20 Cb -0.09 -3.73 0.17 0.00 1.34 0.00 0.00 72.50 70.20 1j3t s THR 20 CO 0.01 -0.09 1.09 0.00 -0.54 0.00 0.00 174.62 175.09 1j3t s ALA 21 N -1.74 1.09 0.00 3.99 0.00 -1.26 -4.82 121.76 119.04 1j3t s ALA 21 Ca 0.34 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.05 1j3t s ALA 21 Cb -0.11 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1j3t s ALA 21 CO 0.28 -2.72 0.00 1.63 0.00 0.00 0.00 175.76 174.95 1j3t n LYS 22 N -4.11 0.00 -1.08 0.00 4.01 -1.26 -5.08 118.16 110.64 1j3t n LYS 22 Ca 0.06 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.56 1j3t n LYS 22 Cb 0.56 0.00 0.17 0.00 -0.51 0.00 0.00 35.03 35.25 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 -1.01 0.72 0.08 1.97 -0.14 -1.26 -4.97 119.74 115.12 1j3t s LYS 23 Ca 0.00 0.78 -0.33 0.00 -1.36 0.00 0.00 55.97 55.06 1j3t s LYS 23 Cb 0.00 -1.75 -0.17 0.00 -1.68 0.00 0.00 37.83 34.23 1j3t s LYS 23 CO 0.00 -2.60 1.61 -0.44 -0.76 0.00 0.00 175.35 173.16 1j3t h ASP 24 N -1.81 -0.91 -0.69 2.83 3.32 -2.02 -3.17 116.42 113.97 1j3t h ASP 24 Ca -0.52 0.05 -0.38 0.00 0.02 0.00 0.00 57.03 56.20 1j3t h ASP 24 Cb 1.30 0.26 -0.14 0.00 0.22 0.00 0.00 39.33 40.98 1j3t h ASP 24 CO 0.54 -0.58 0.17 -3.20 -1.72 0.00 0.00 179.24 174.45 1j3t n ASN 25 N -5.51 6.11 -4.48 6.45 2.85 -1.26 -4.83 115.26 114.59 1j3t n ASN 25 Ca -0.13 -2.97 -0.33 0.00 -0.11 0.00 0.00 54.58 51.04 1j3t n ASN 25 Cb 0.40 -1.26 -0.13 0.00 1.24 0.00 0.00 39.78 40.03 1j3t n ASN 25 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 1j3t s HIS 26 N -0.95 2.76 0.47 1.20 3.76 -1.20 -1.22 115.29 120.11 1j3t s HIS 26 Ca 0.56 -0.19 -0.19 0.00 -0.15 0.00 0.00 55.06 55.09 1j3t s HIS 26 Cb 0.34 -1.68 -0.09 0.00 1.11 0.00 0.00 32.58 32.26 1j3t s HIS 26 CO -0.13 0.16 0.97 -1.17 -0.85 0.00 0.00 174.74 173.72 1j3t s LEU 27 N -0.59 3.80 -0.02 0.89 1.98 -0.19 -4.50 118.68 120.05 1j3t s LEU 27 Ca 0.08 1.67 0.03 0.00 -2.89 0.00 0.00 54.13 53.03 1j3t s LEU 27 Cb -0.11 -4.53 -0.00 0.00 0.66 0.00 0.00 46.19 42.20 1j3t s LEU 27 CO 0.01 -0.51 -0.11 0.54 -1.89 0.00 0.00 176.35 174.39 1j3t s ASN 28 N -2.52 1.45 0.21 3.68 2.20 -1.26 -4.25 114.94 114.44 1j3t s ASN 28 Ca 0.61 -0.23 -0.01 0.00 -0.94 0.00 0.00 52.86 52.30 1j3t s ASN 28 Cb -0.10 -0.33 -0.04 0.00 -2.00 0.00 0.00 41.25 38.78 1j3t s ASN 28 CO 0.21 0.10 0.14 0.72 -2.94 0.00 0.00 177.10 175.33 1j3t s PHE 29 N 0.04 1.18 0.43 1.54 -0.12 -0.86 -4.94 117.98 115.25 1j3t s PHE 29 Ca -0.01 -1.39 0.08 0.00 -0.05 0.00 0.00 56.93 55.55 1j3t s PHE 29 Cb -0.08 -0.57 0.01 0.00 -0.63 0.00 0.00 43.02 41.75 1j3t s PHE 29 CO 0.01 -0.65 0.58 -1.12 -0.05 0.00 0.00 175.22 173.99 1j3t s SER 30 N -3.17 5.63 0.08 1.98 0.01 -1.26 -1.15 113.70 115.82 1j3t s SER 30 Ca 0.39 -0.40 -0.31 0.00 1.31 0.00 0.00 55.95 56.95 1j3t s SER 30 Cb 0.07 -0.67 -0.06 0.00 0.21 0.00 0.00 66.02 65.56 1j3t s SER 30 CO 0.13 -0.79 1.29 -0.75 0.41 0.00 0.00 173.24 173.53 1j3t s LYS 31 N -4.38 4.37 0.00 12.44 2.20 -1.25 -3.07 119.74 130.05 1j3t s LYS 31 Ca 0.55 1.90 0.00 0.00 -0.36 0.00 0.00 55.97 58.07 1j3t s LYS 31 Cb -0.10 -3.33 0.00 0.00 -1.51 0.00 0.00 37.83 32.89 1j3t s LYS 31 CO 0.33 -0.36 0.00 0.72 -0.36 0.00 0.00 175.35 175.69 1j3t n HIS 32 N 4.08 0.00 -2.12 4.03 8.25 -0.01 -4.94 115.22 124.51 1j3t n HIS 32 Ca 0.10 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.24 1j3t n HIS 32 Cb 0.44 -0.18 -0.01 0.00 1.12 0.00 0.00 29.99 31.37 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 -2.42 6.21 -0.18 0.41 1.11 -1.18 -4.70 116.67 115.93 1j3t s ASP 33 Ca 0.00 1.60 -0.06 0.00 0.18 0.00 0.00 52.55 54.28 1j3t s ASP 33 Cb 0.00 -2.51 -0.03 0.00 1.07 0.00 0.00 42.92 41.45 1j3t s ASP 33 CO 0.00 -0.88 0.02 -0.63 1.18 0.00 0.00 175.17 174.87 1j3t s ILE 34 N -2.74 4.35 -0.06 0.77 -1.09 -1.26 -0.25 121.20 120.92 1j3t s ILE 34 Ca 0.59 -0.19 0.05 0.00 -2.23 0.00 0.00 60.65 58.88 1j3t s ILE 34 Cb -0.12 -2.95 -0.01 0.00 -1.58 0.00 0.00 42.46 37.80 1j3t s ILE 34 CO 0.40 0.46 -0.22 -0.63 -1.23 0.00 0.00 174.94 173.71 1j3t s ILE 35 N 0.54 1.82 -0.56 2.92 1.09 -0.81 -4.85 121.20 121.35 1j3t s ILE 35 Ca 0.01 -0.93 -0.27 0.00 -1.10 0.00 0.00 60.65 58.35 1j3t s ILE 35 Cb -0.13 -1.55 -0.01 0.00 -1.06 0.00 0.00 42.46 39.70 1j3t s ILE 35 CO 0.02 0.51 1.77 -0.89 -0.10 0.00 0.00 174.94 176.25 1j3t s THR 36 N -0.03 3.44 0.51 2.92 2.01 -0.24 -2.39 115.64 121.86 1j3t s THR 36 Ca -0.05 0.32 -0.21 0.00 0.31 0.00 0.00 61.69 62.06 1j3t s THR 36 Cb -0.13 -3.99 -0.07 0.00 0.01 0.00 0.00 72.50 68.32 1j3t s THR 36 CO 0.04 -0.90 1.13 -0.69 -0.69 0.00 0.00 174.62 173.51 1j3t s VAL 37 N 8.22 3.24 0.00 3.82 1.01 0.66 -0.22 120.40 137.12 1j3t s VAL 37 Ca 0.66 0.82 0.00 0.00 0.00 0.00 0.00 61.98 63.46 1j3t s VAL 37 Cb -0.14 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.88 1j3t s VAL 37 CO 0.23 -0.11 0.00 0.18 0.00 0.00 0.00 175.10 175.40 1j3t n LEU 38 N -0.97 0.00 -4.81 3.92 4.77 0.05 -3.62 117.00 116.35 1j3t n LEU 38 Ca 0.10 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.86 1j3t n LEU 38 Cb 0.50 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.55 1j3t n LEU 38 CO 0.44 -0.11 -0.17 -0.70 -1.33 0.00 0.00 177.39 175.51 1j3t s GLU 39 N -0.23 2.80 -0.03 3.23 2.56 -1.15 -4.89 118.70 120.99 1j3t s GLU 39 Ca 0.00 -1.16 -0.01 0.00 0.00 0.00 0.00 54.97 53.79 1j3t s GLU 39 Cb 0.00 -2.49 0.02 0.00 2.00 0.00 0.00 34.13 33.66 1j3t s GLU 39 CO 0.00 0.32 0.06 -0.65 -0.56 0.00 0.00 175.26 174.44 1j3t s GLN 40 N -3.86 0.04 0.31 4.30 -0.21 -1.26 -0.49 119.66 118.49 1j3t s GLN 40 Ca 0.35 0.17 0.01 0.00 0.02 0.00 0.00 55.36 55.90 1j3t s GLN 40 Cb -0.07 -0.09 -0.01 0.00 1.00 0.00 0.00 33.01 33.84 1j3t s GLN 40 CO 0.25 -0.09 0.05 1.04 -2.12 0.00 0.00 175.29 174.42 1j3t n GLN 41 N 3.61 0.94 -0.35 2.91 6.02 0.46 -4.99 117.38 125.99 1j3t n GLN 41 Ca -0.20 -2.41 0.13 0.00 -0.01 0.00 0.00 57.00 54.51 1j3t n GLN 41 Cb 0.55 0.96 0.26 0.00 1.02 0.00 0.00 30.24 33.03 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 0.00 0.00 -1.09 4.11 -2.02 -3.21 114.58 112.37 1j3t h GLU 42 Ca -0.25 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.18 1j3t h GLU 42 Cb 0.84 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1j3t h GLU 42 CO 0.41 0.00 0.00 -1.71 0.07 0.00 0.00 179.01 177.78 1j3t n ASN 43 N -5.53 0.00 -4.17 3.06 2.85 -1.26 -5.06 115.26 105.15 1j3t n ASN 43 Ca 0.22 -0.96 -0.27 0.00 -0.11 0.00 0.00 54.58 53.46 1j3t n ASN 43 Cb 0.70 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.56 1j3t n ASN 43 CO 0.00 0.00 0.00 0.26 -2.11 0.00 0.00 177.26 175.41 1j3t s TRP 44 N 0.00 1.87 0.24 1.20 0.52 -1.21 -0.46 118.94 121.09 1j3t s TRP 44 Ca 0.00 -0.53 0.11 0.00 0.02 0.00 0.00 56.10 55.70 1j3t s TRP 44 Cb 0.00 -1.24 -0.05 0.00 -1.15 0.00 0.00 33.47 31.03 1j3t s TRP 44 CO 0.00 -0.17 -0.17 -1.58 0.02 0.00 0.00 176.95 175.06 1j3t s TRP 45 N -0.04 2.40 0.04 -1.98 0.51 -0.16 -0.40 118.94 119.30 1j3t s TRP 45 Ca -0.03 -0.31 0.00 0.00 -2.12 0.00 0.00 56.10 53.65 1j3t s TRP 45 Cb -0.12 -1.11 -0.04 0.00 -0.81 0.00 0.00 33.47 31.40 1j3t s TRP 45 CO 0.02 0.61 0.13 0.12 -0.51 0.00 0.00 176.95 177.32 1j3t s PHE 46 N -2.11 3.37 0.15 -1.98 5.36 0.36 -0.27 117.98 122.84 1j3t s PHE 46 Ca 0.27 0.21 -0.20 0.00 -0.96 0.00 0.00 56.93 56.25 1j3t s PHE 46 Cb -0.07 -1.73 0.07 0.00 -0.34 0.00 0.00 43.02 40.96 1j3t s PHE 46 CO 0.14 0.57 0.93 0.41 -1.46 0.00 0.00 175.22 175.82 1j3t n GLY 47 N 0.70 0.64 2.89 13.12 0.00 -0.67 -0.77 105.19 121.10 1j3t n GLY 47 Ca -0.09 -1.11 -0.20 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.04 0.78 0.06 1.61 2.12 0.69 -1.68 118.70 120.23 1j3t s GLU 48 Ca 0.21 -0.09 -0.13 0.00 0.36 0.00 0.00 54.97 55.32 1j3t s GLU 48 Cb -0.02 -0.80 0.02 0.00 0.26 0.00 0.00 34.13 33.58 1j3t s GLU 48 CO 0.04 -0.09 0.28 0.54 -0.54 0.00 0.00 175.26 175.50 1j3t s VAL 49 N 0.92 0.09 -1.40 3.70 0.11 -0.21 -1.08 120.40 122.53 1j3t s VAL 49 Ca -0.11 -0.77 -0.00 0.00 -2.93 0.00 0.00 61.98 58.17 1j3t s VAL 49 Cb -0.14 -1.01 0.00 0.00 -1.53 0.00 0.00 36.38 33.70 1j3t s VAL 49 CO -0.00 -0.42 0.44 1.41 -3.33 0.00 0.00 175.10 173.20 1j3t n HIS 50 N 0.44 -1.67 -1.38 1.54 8.25 -1.26 -1.38 115.22 119.77 1j3t n HIS 50 Ca -0.18 0.75 -0.13 0.00 -0.26 0.00 0.00 57.72 57.91 1j3t n HIS 50 Cb 0.60 -3.78 -0.06 0.00 1.12 0.00 0.00 29.99 27.88 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 -1.95 1.25 3.18 -1.41 0.00 -1.26 -4.95 105.19 100.06 1j3t n GLY 51 Ca -0.30 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.51 0.85 0.30 -0.02 0.00 -0.48 -5.17 107.32 100.29 1j3t s GLY 52 Ca 0.00 -1.39 0.04 0.00 0.00 0.00 0.00 44.72 43.37 1j3t s GLY 52 CO 0.00 -1.47 0.02 0.50 0.00 0.00 0.00 173.10 172.14 1j3t s ARG 53 N -3.84 1.57 0.00 2.90 0.52 -1.26 -1.05 118.95 117.80 1j3t s ARG 53 Ca 0.14 -1.84 0.00 0.00 -0.52 0.00 0.00 55.73 53.51 1j3t s ARG 53 Cb 0.05 -0.90 0.00 0.00 0.52 0.00 0.00 34.95 34.62 1j3t s ARG 53 CO -0.03 -0.11 0.00 0.41 0.02 0.00 0.00 175.30 175.58 1j3t n GLY 54 N -0.61 0.52 3.87 -3.53 0.00 -0.68 -4.19 105.19 100.57 1j3t n GLY 54 Ca -0.04 -1.25 -0.30 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.98 3.51 -0.04 1.61 0.52 -0.36 -1.67 118.94 120.53 1j3t s TRP 55 Ca 0.00 1.17 -0.19 0.00 0.02 0.00 0.00 56.10 57.10 1j3t s TRP 55 Cb 0.00 -2.57 0.04 0.00 -1.15 0.00 0.00 33.47 29.79 1j3t s TRP 55 CO 0.00 -0.33 0.43 -0.59 0.02 0.00 0.00 176.95 176.49 1j3t s PHE 56 N -2.67 -0.35 -0.05 -1.98 -0.12 0.63 -1.02 117.98 112.42 1j3t s PHE 56 Ca 0.53 0.63 -0.30 0.00 -0.05 0.00 0.00 56.93 57.74 1j3t s PHE 56 Cb -0.10 0.19 -0.05 0.00 -0.63 0.00 0.00 43.02 42.43 1j3t s PHE 56 CO 0.38 -0.43 1.61 -1.25 -0.05 0.00 0.00 175.22 175.48 1j3t s PRO 57 N -1.09 4.19 0.62 1.99 0.05 -1.26 -0.99 135.00 138.51 1j3t s PRO 57 Ca -0.11 2.14 0.33 0.00 0.05 0.00 0.00 61.00 63.41 1j3t s PRO 57 Cb -0.04 -3.92 1.88 0.00 0.05 0.00 0.00 34.50 32.47 1j3t s PRO 57 CO 0.05 -0.81 2.17 1.57 0.05 0.00 0.00 177.00 180.03 1j3t h LYS 58 N 9.26 0.00 -0.16 4.56 2.10 -1.09 -1.96 116.57 129.29 1j3t h LYS 58 Ca -0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 1j3t h LYS 58 Cb 1.17 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.50 1j3t h LYS 58 CO 0.95 0.00 0.10 1.03 -2.00 0.00 0.00 179.45 179.54 1j3t h SER 59 N 0.00 0.18 0.10 7.07 0.87 -1.89 -2.27 113.55 117.60 1j3t h SER 59 Ca 0.04 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1j3t h SER 59 Cb 0.30 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1j3t h SER 59 CO -0.00 0.13 0.00 -1.22 -0.53 0.00 0.00 176.83 175.21 1j3t n TYR 60 N -4.51 0.00 -4.38 2.24 4.02 -0.74 -4.80 117.16 108.99 1j3t n TYR 60 Ca -0.01 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.67 1j3t n TYR 60 Cb 0.08 -0.09 -0.09 0.00 -0.02 0.00 0.00 39.34 39.23 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 -2.18 0.32 0.01 -0.72 -7.23 -0.86 -0.34 120.40 109.40 1j3t s VAL 61 Ca 0.23 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.42 1j3t s VAL 61 Cb 0.12 -2.45 -0.01 0.00 0.56 0.00 0.00 36.38 34.59 1j3t s VAL 61 CO 0.22 0.00 -0.08 -1.59 -0.31 0.00 0.00 175.10 173.34 1j3t s LYS 62 N -3.68 0.57 0.69 4.82 -2.85 -0.52 -4.87 119.74 113.91 1j3t s LYS 62 Ca 0.33 -0.39 -0.16 0.00 -1.00 0.00 0.00 55.97 54.75 1j3t s LYS 62 Cb 0.03 -0.51 0.02 0.00 -2.06 0.00 0.00 37.83 35.31 1j3t s LYS 62 CO 0.19 0.13 1.21 0.42 0.10 0.00 0.00 175.35 177.40 1j3t s ILE 63 N -0.47 2.42 0.03 3.79 1.01 -1.26 -1.24 121.20 125.47 1j3t s ILE 63 Ca -0.00 0.22 0.07 0.00 0.00 0.00 0.00 60.65 60.94 1j3t s ILE 63 Cb -0.05 -2.85 -0.02 0.00 0.01 0.00 0.00 42.46 39.55 1j3t s ILE 63 CO 0.00 -0.10 -0.21 -0.63 0.00 0.00 0.00 174.94 174.01 1j3t s ILE 64 N -1.90 1.65 -0.73 2.92 1.01 -1.04 -4.83 121.20 118.28 1j3t s ILE 64 Ca 0.75 -1.10 0.26 0.00 0.00 0.00 0.00 60.65 60.56 1j3t s ILE 64 Cb -0.29 -1.42 0.26 0.00 0.01 0.00 0.00 42.46 41.02 1j3t s ILE 64 CO 0.42 0.28 1.73 -0.81 0.00 0.00 0.00 174.94 176.57 1j3t n PRO 65 N 2.07 0.26 -1.26 2.79 -0.04 -1.26 -4.72 135.00 132.83 1j3t n PRO 65 Ca -0.17 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1j3t n PRO 65 Cb 0.53 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 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 1.32 -0.03 0.07 0.55 0.00 -1.26 -4.80 105.19 101.03 1j3t n GLY 66 Ca 0.05 -1.73 -0.02 0.00 0.00 0.00 0.00 46.02 44.33 1j3t n GLY 66 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1j3t h SER 67 N 0.00 -0.09 -0.96 1.61 0.02 -1.96 -3.43 113.55 108.75 1j3t h SER 67 Ca 0.00 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.34 1j3t h SER 67 Cb 0.00 0.02 -0.09 0.00 0.14 0.00 0.00 62.40 62.48 1j3t h SER 67 CO 0.00 0.26 1.76 -0.70 -1.14 0.00 0.00 176.83 177.00 1j3t s GLU 68 N -1.78 3.67 0.27 3.45 2.12 -1.26 -4.87 118.70 120.31 1j3t s GLU 68 Ca -0.01 -1.47 -0.14 0.00 0.36 0.00 0.00 54.97 53.71 1j3t s GLU 68 Cb 0.00 -5.42 0.01 0.00 0.26 0.00 0.00 34.13 28.98 1j3t s GLU 68 CO 0.04 -2.35 0.55 -1.54 -0.54 0.00 0.00 175.26 171.43 1j3t s SER 69 N 4.85 -0.06 -0.10 -1.70 1.04 -1.26 -5.05 113.70 111.40 1j3t s SER 69 Ca 0.51 -0.90 -0.00 0.00 0.48 0.00 0.00 55.95 56.04 1j3t s SER 69 Cb 0.01 0.64 -0.00 0.00 0.10 0.00 0.00 66.02 66.77 1j3t s SER 69 CO -0.01 -1.23 0.10 0.61 0.98 0.00 0.00 173.24 173.69 1j3t n GLY 70 N -0.42 -0.14 3.56 7.32 0.00 -1.26 -4.93 105.19 109.32 1j3t n GLY 70 Ca -0.02 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.05 2.66 -0.19 1.61 0.04 -1.26 -2.56 135.00 132.26 1j3t s PRO 71 Ca 0.02 0.81 0.00 0.00 0.04 0.00 0.00 61.00 61.86 1j3t s PRO 71 Cb -0.00 -4.38 0.00 0.00 0.04 0.00 0.00 34.50 30.15 1j3t s PRO 71 CO 0.09 -2.68 0.00 0.45 0.04 0.00 0.00 177.00 174.90 1j3t n SER 72 N 12.79 -4.55 -4.57 6.66 2.88 -1.26 -4.95 113.62 120.62 1j3t n SER 72 Ca 0.23 0.04 -0.29 0.00 -1.33 0.00 0.00 58.87 57.52 1j3t n SER 72 Cb 0.52 -2.21 -0.05 0.00 -0.75 0.00 0.00 64.21 61.72 1j3t n SER 72 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1j3t s SER 73 N -2.14 5.31 0.00 -3.46 1.04 -1.06 -5.31 113.70 108.08 1j3t s SER 73 Ca 0.00 -1.04 0.28 0.00 0.48 0.00 0.00 55.95 55.67 1j3t s SER 73 Cb 0.00 -2.57 1.11 0.00 0.10 0.00 0.00 66.02 64.66 1j3t s SER 73 CO 0.00 -2.64 1.78 0.61 0.98 0.00 0.00 173.24 173.96