#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 1.33 1.32 1.61 0.15 -1.26 -5.15 113.70 111.70 1j3t s SER 2 Ca 0.00 -0.21 -0.19 0.00 0.70 0.00 0.00 55.95 56.25 1j3t s SER 2 Cb 0.00 -0.33 0.30 0.00 -1.71 0.00 0.00 66.02 64.28 1j3t s SER 2 CO 0.00 0.08 0.83 -1.20 1.20 0.00 0.00 173.24 174.16 1j3t n SER 3 N 3.21 -2.96 -3.98 5.45 7.64 -1.26 -5.12 113.62 116.61 1j3t n SER 3 Ca -0.18 -0.90 -0.10 0.00 1.01 0.00 0.00 58.87 58.70 1j3t n SER 3 Cb 0.54 -0.86 -0.11 0.00 -1.01 0.00 0.00 64.21 62.77 1j3t n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1j3t s GLY 4 N -3.53 0.24 0.32 0.23 0.00 -1.26 -5.08 107.32 98.24 1j3t s GLY 4 Ca 0.59 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.78 1j3t s GLY 4 CO 0.47 -0.59 0.00 -1.26 0.00 0.00 0.00 173.10 171.73 1j3t n SER 5 N 1.80 -1.45 -3.59 1.64 2.88 -1.26 -5.08 113.62 108.55 1j3t n SER 5 Ca -0.22 0.58 -0.06 0.00 -1.33 0.00 0.00 58.87 57.84 1j3t n SER 5 Cb 0.56 1.51 -0.03 0.00 -0.75 0.00 0.00 64.21 65.49 1j3t n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1j3t s SER 6 N -3.97 -0.19 0.00 -3.46 1.04 -1.26 -4.75 113.70 101.11 1j3t s SER 6 Ca 0.00 0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.52 1j3t s SER 6 Cb 0.00 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1j3t s SER 6 CO 0.00 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.57 1j3t n GLY 7 N 0.19 -2.92 2.02 7.32 0.00 -1.26 -5.14 105.19 105.41 1j3t n GLY 7 Ca -0.03 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 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 -4.24 1.61 0.24 -1.26 -5.10 118.33 109.58 1j3t n VAL 8 Ca 0.00 -1.53 -0.13 0.00 -2.04 0.00 0.00 64.34 60.63 1j3t n VAL 8 Cb 0.00 0.75 -0.10 0.00 -1.47 0.00 0.00 33.84 33.02 1j3t n VAL 8 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1j3t s GLU 9 N -2.86 1.20 1.40 7.34 -1.05 -1.26 -5.12 118.70 118.35 1j3t s GLU 9 Ca 0.24 -1.62 0.00 0.00 -0.15 0.00 0.00 54.97 53.45 1j3t s GLU 9 Cb 0.01 -0.05 0.00 0.00 -0.44 0.00 0.00 34.13 33.65 1j3t s GLU 9 CO 0.17 -0.27 0.00 0.09 0.95 0.00 0.00 175.26 176.20 1j3t n ASN 10 N -0.30 -4.27 -4.80 0.83 3.02 -1.26 -4.62 115.26 103.86 1j3t n ASN 10 Ca -0.02 0.02 -0.34 0.00 -0.03 0.00 0.00 54.58 54.21 1j3t n ASN 10 Cb 0.65 -0.05 -0.03 0.00 -0.61 0.00 0.00 39.78 39.75 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 3.80 0.09 3.41 2.96 -1.26 -5.00 118.68 122.67 1j3t s LEU 11 Ca 0.00 1.94 0.07 0.00 -0.22 0.00 0.00 54.13 55.92 1j3t s LEU 11 Cb 0.00 -4.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.10 1j3t s LEU 11 CO 0.00 -0.86 -0.19 -0.54 -1.32 0.00 0.00 176.35 173.43 1j3t s LYS 12 N -3.33 1.06 0.01 1.98 1.02 -1.26 -0.64 119.74 118.57 1j3t s LYS 12 Ca 0.67 -1.08 0.01 0.00 0.02 0.00 0.00 55.97 55.59 1j3t s LYS 12 Cb -0.17 -1.25 -0.01 0.00 -0.52 0.00 0.00 37.83 35.89 1j3t s LYS 12 CO 0.22 0.29 -0.03 0.00 -0.92 0.00 0.00 175.35 174.92 1j3t s ALA 13 N -1.15 0.21 -0.14 5.17 0.00 -0.67 -2.70 121.76 122.48 1j3t s ALA 13 Ca 0.04 -0.25 -0.17 0.00 0.00 0.00 0.00 51.96 51.58 1j3t s ALA 13 Cb -0.10 -0.00 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 1j3t s ALA 13 CO 0.03 0.00 0.41 -1.14 0.00 0.00 0.00 175.76 175.07 1j3t s GLN 14 N -0.46 4.30 0.31 0.00 0.74 -0.46 -1.13 119.66 122.96 1j3t s GLN 14 Ca -0.03 0.32 -0.30 0.00 0.05 0.00 0.00 55.36 55.40 1j3t s GLN 14 Cb -0.03 -3.45 -0.12 0.00 1.10 0.00 0.00 33.01 30.51 1j3t s GLN 14 CO -0.00 0.15 1.54 0.00 -0.55 0.00 0.00 175.29 176.43 1j3t n ALA 15 N 3.76 2.36 0.00 1.58 0.00 -0.02 -1.50 120.51 126.70 1j3t n ALA 15 Ca -0.09 0.37 0.05 0.00 0.00 0.00 0.00 53.44 53.77 1j3t n ALA 15 Cb 0.52 -2.43 -0.12 0.00 0.00 0.00 0.00 19.45 17.42 1j3t n ALA 15 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1j3t n LEU 16 N 1.68 0.34 -3.80 0.00 4.77 -0.29 -1.53 117.00 118.17 1j3t n LEU 16 Ca 0.07 0.14 -0.10 0.00 -0.03 0.00 0.00 56.01 56.10 1j3t n LEU 16 Cb 0.37 0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 1j3t n LEU 16 CO 0.64 0.10 0.04 0.00 -1.33 0.00 0.00 177.39 176.83 1j3t s SER 18 N -2.87 4.32 0.05 0.00 0.01 -1.26 -4.28 113.70 109.67 1j3t s SER 18 Ca 0.08 2.29 -0.27 0.00 1.31 0.00 0.00 55.95 59.36 1j3t s SER 18 Cb 0.03 -2.58 0.09 0.00 0.21 0.00 0.00 66.02 63.77 1j3t s SER 18 CO -0.08 -2.17 0.78 0.86 0.41 0.00 0.00 173.24 173.04 1j3t s TRP 19 N -2.07 -0.42 0.06 2.43 -0.00 -1.18 -4.90 118.94 112.86 1j3t s TRP 19 Ca 0.73 0.27 0.03 0.00 -0.00 0.00 0.00 56.10 57.13 1j3t s TRP 19 Cb -0.27 0.54 -0.03 0.00 -0.00 0.00 0.00 33.47 33.71 1j3t s TRP 19 CO 0.45 -0.65 -0.10 0.95 -0.00 0.00 0.00 176.95 177.59 1j3t s THR 20 N -3.31 0.77 0.92 5.86 -4.23 -1.26 -2.10 115.64 112.28 1j3t s THR 20 Ca 0.03 -1.19 -0.11 0.00 -1.18 0.00 0.00 61.69 59.24 1j3t s THR 20 Cb -0.01 -0.81 0.14 0.00 1.34 0.00 0.00 72.50 73.16 1j3t s THR 20 CO -0.10 -0.33 1.09 0.00 -0.54 0.00 0.00 174.62 174.74 1j3t s ALA 21 N -1.39 1.39 0.00 3.99 0.00 -1.26 -4.93 121.76 119.56 1j3t s ALA 21 Ca -0.06 0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1j3t s ALA 21 Cb -0.10 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1j3t s ALA 21 CO 0.01 -2.51 0.00 1.63 0.00 0.00 0.00 175.76 174.89 1j3t n LYS 22 N -4.00 0.00 -1.28 0.00 4.76 -1.26 -5.08 118.16 111.30 1j3t n LYS 22 Ca 0.07 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.21 1j3t n LYS 22 Cb 0.55 0.00 0.11 0.00 -1.84 0.00 0.00 35.03 33.84 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 0.00 1.84 0.21 1.97 -0.14 -1.26 -4.96 119.74 117.41 1j3t s LYS 23 Ca 0.00 0.95 -0.09 0.00 -1.36 0.00 0.00 55.97 55.47 1j3t s LYS 23 Cb 0.00 -1.87 0.25 0.00 -1.68 0.00 0.00 37.83 34.53 1j3t s LYS 23 CO 0.00 -1.87 1.82 -0.44 -0.76 0.00 0.00 175.35 174.10 1j3t h ASP 24 N -1.29 0.62 -0.43 2.83 5.19 -2.03 -2.53 116.42 118.78 1j3t h ASP 24 Ca -0.47 0.02 -0.08 0.00 -0.62 0.00 0.00 57.03 55.89 1j3t h ASP 24 Cb 1.26 -0.10 -0.05 0.00 0.18 0.00 0.00 39.33 40.62 1j3t h ASP 24 CO 0.54 0.40 0.10 -0.46 -3.12 0.00 0.00 179.24 176.70 1j3t n ASN 25 N -4.74 3.93 -4.83 6.45 6.94 -1.26 -4.89 115.26 116.86 1j3t n ASN 25 Ca 0.09 -2.70 -0.33 0.00 -0.02 0.00 0.00 54.58 51.62 1j3t n ASN 25 Cb 0.16 -0.64 -0.06 0.00 -2.36 0.00 0.00 39.78 36.88 1j3t n ASN 25 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 1j3t s HIS 26 N -2.13 3.37 0.27 -2.53 3.76 -0.96 -0.28 115.29 116.78 1j3t s HIS 26 Ca 0.36 1.55 -0.26 0.00 -0.15 0.00 0.00 55.06 56.55 1j3t s HIS 26 Cb 0.28 -2.83 -0.09 0.00 1.11 0.00 0.00 32.58 31.05 1j3t s HIS 26 CO 0.09 -0.21 0.90 -1.17 -0.85 0.00 0.00 174.74 173.50 1j3t s LEU 27 N -3.54 4.46 -0.10 0.89 1.98 0.12 -4.44 118.68 118.05 1j3t s LEU 27 Ca 0.61 1.80 0.04 0.00 -2.89 0.00 0.00 54.13 53.68 1j3t s LEU 27 Cb -0.09 -3.76 0.00 0.00 0.66 0.00 0.00 46.19 43.00 1j3t s LEU 27 CO 0.20 0.04 -0.22 0.54 -1.89 0.00 0.00 176.35 175.03 1j3t s ASN 28 N -1.44 2.94 0.29 3.68 2.20 -1.26 -4.21 114.94 117.14 1j3t s ASN 28 Ca 0.45 -0.54 0.06 0.00 -0.94 0.00 0.00 52.86 51.90 1j3t s ASN 28 Cb -0.21 -1.35 -0.02 0.00 -2.00 0.00 0.00 41.25 37.67 1j3t s ASN 28 CO 0.26 0.13 0.23 2.22 -2.94 0.00 0.00 177.10 177.00 1j3t n PHE 29 N 3.66 -0.63 -4.49 1.54 1.16 -0.89 -4.95 117.46 112.86 1j3t n PHE 29 Ca -0.20 -2.37 -0.23 0.00 -1.87 0.00 0.00 57.45 52.78 1j3t n PHE 29 Cb 0.53 0.23 -0.10 0.00 -1.61 0.00 0.00 39.48 38.53 1j3t n PHE 29 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 1j3t s SER 30 N -2.99 2.62 0.16 5.98 0.01 -1.26 -3.12 113.70 115.10 1j3t s SER 30 Ca 0.33 -1.48 -0.32 0.00 1.31 0.00 0.00 55.95 55.79 1j3t s SER 30 Cb 0.02 0.12 -0.10 0.00 0.21 0.00 0.00 66.02 66.27 1j3t s SER 30 CO 0.23 -0.72 1.56 -0.75 0.41 0.00 0.00 173.24 173.98 1j3t s LYS 31 N -3.84 4.22 0.00 12.44 2.20 -1.26 -2.79 119.74 130.71 1j3t s LYS 31 Ca 0.31 2.35 0.00 0.00 -0.36 0.00 0.00 55.97 58.27 1j3t s LYS 31 Cb 0.07 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 33.21 1j3t s LYS 31 CO 0.14 -0.61 0.00 0.72 -0.36 0.00 0.00 175.35 175.25 1j3t n HIS 32 N 4.04 0.00 -1.95 4.03 8.25 -0.58 -4.92 115.22 124.09 1j3t n HIS 32 Ca 0.14 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.22 1j3t n HIS 32 Cb 0.39 -0.98 0.02 0.00 1.12 0.00 0.00 29.99 30.54 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 -2.24 5.62 -0.20 0.41 1.01 -1.12 -4.64 116.67 115.51 1j3t s ASP 33 Ca 0.00 2.62 -0.15 0.00 0.71 0.00 0.00 52.55 55.73 1j3t s ASP 33 Cb 0.00 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 1j3t s ASP 33 CO 0.00 -1.32 0.35 -0.63 0.21 0.00 0.00 175.17 173.78 1j3t s ILE 34 N -1.37 5.24 -0.06 0.77 -1.09 -1.26 -0.84 121.20 122.58 1j3t s ILE 34 Ca 0.68 0.60 0.05 0.00 -2.23 0.00 0.00 60.65 59.75 1j3t s ILE 34 Cb -0.37 -3.68 -0.02 0.00 -1.58 0.00 0.00 42.46 36.82 1j3t s ILE 34 CO 0.44 0.28 -0.20 -0.63 -1.23 0.00 0.00 174.94 173.60 1j3t s ILE 35 N 1.17 2.52 -0.28 2.92 1.09 -0.29 -4.84 121.20 123.50 1j3t s ILE 35 Ca 0.17 -0.91 -0.29 0.00 -1.10 0.00 0.00 60.65 58.52 1j3t s ILE 35 Cb -0.14 -1.96 -0.02 0.00 -1.06 0.00 0.00 42.46 39.28 1j3t s ILE 35 CO 0.07 0.57 1.62 -0.89 -0.10 0.00 0.00 174.94 176.21 1j3t s THR 36 N -0.36 3.69 0.56 2.92 2.01 -0.22 -1.67 115.64 122.58 1j3t s THR 36 Ca 0.03 0.76 -0.18 0.00 0.31 0.00 0.00 61.69 62.60 1j3t s THR 36 Cb -0.12 -3.78 -0.05 0.00 0.01 0.00 0.00 72.50 68.56 1j3t s THR 36 CO 0.02 -0.39 1.09 -0.69 -0.69 0.00 0.00 174.62 173.95 1j3t s VAL 37 N 5.59 3.48 0.00 3.82 1.01 0.19 -0.33 120.40 134.15 1j3t s VAL 37 Ca 0.71 0.82 0.00 0.00 0.00 0.00 0.00 61.98 63.51 1j3t s VAL 37 Cb -0.22 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.84 1j3t s VAL 37 CO 0.30 -0.30 0.00 0.18 0.00 0.00 0.00 175.10 175.28 1j3t n LEU 38 N -1.62 0.00 -3.69 3.92 4.77 0.32 -4.21 117.00 116.50 1j3t n LEU 38 Ca 0.10 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.98 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 0.17 -0.70 -1.33 0.00 0.00 177.39 175.97 1j3t s GLU 39 N -1.14 1.16 -0.27 3.23 2.12 -1.09 -4.95 118.70 117.76 1j3t s GLU 39 Ca 0.00 -0.79 -0.04 0.00 0.36 0.00 0.00 54.97 54.50 1j3t s GLU 39 Cb 0.00 0.47 0.10 0.00 0.26 0.00 0.00 34.13 34.96 1j3t s GLU 39 CO 0.00 -0.46 0.14 -0.65 -0.54 0.00 0.00 175.26 173.75 1j3t s GLN 40 N -3.84 0.18 0.04 4.30 -0.21 -1.26 -0.74 119.66 118.13 1j3t s GLN 40 Ca 0.06 -0.40 -0.00 0.00 0.02 0.00 0.00 55.36 55.04 1j3t s GLN 40 Cb 0.01 -1.24 0.01 0.00 1.00 0.00 0.00 33.01 32.79 1j3t s GLN 40 CO -0.09 -0.95 0.05 1.04 -2.12 0.00 0.00 175.29 173.22 1j3t n GLN 41 N 5.26 0.24 -0.29 2.91 1.13 0.06 -4.97 117.38 121.72 1j3t n GLN 41 Ca -0.06 -0.10 0.10 0.00 -1.94 0.00 0.00 57.00 55.00 1j3t n GLN 41 Cb 0.44 -0.04 0.25 0.00 0.11 0.00 0.00 30.24 31.00 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 0.46 0.00 -1.09 4.11 -2.03 -3.34 114.58 112.69 1j3t h GLU 42 Ca -0.02 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1j3t h GLU 42 Cb 0.05 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1j3t h GLU 42 CO 0.01 0.30 0.00 0.09 0.07 0.00 0.00 179.01 179.49 1j3t n ASN 43 N -4.99 0.00 -4.52 3.06 3.02 -1.26 -5.10 115.26 105.48 1j3t n ASN 43 Ca 0.19 -0.91 -0.32 0.00 -0.03 0.00 0.00 54.58 53.51 1j3t n ASN 43 Cb 0.53 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.59 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 2.74 0.06 3.10 0.52 -1.26 -1.60 118.94 122.51 1j3t s TRP 44 Ca 0.00 -0.13 0.09 0.00 0.02 0.00 0.00 56.10 56.08 1j3t s TRP 44 Cb 0.00 -1.58 -0.03 0.00 -1.15 0.00 0.00 33.47 30.71 1j3t s TRP 44 CO 0.00 0.28 -0.23 -1.58 0.02 0.00 0.00 176.95 175.44 1j3t s TRP 45 N -0.88 2.42 0.19 -1.98 0.51 -0.43 -0.76 118.94 118.00 1j3t s TRP 45 Ca 0.14 -0.34 -0.09 0.00 -2.12 0.00 0.00 56.10 53.69 1j3t s TRP 45 Cb -0.11 -1.39 -0.07 0.00 -0.81 0.00 0.00 33.47 31.10 1j3t s TRP 45 CO 0.04 0.23 0.50 0.12 -0.51 0.00 0.00 176.95 177.33 1j3t s PHE 46 N -0.92 3.47 0.13 -1.98 5.36 0.08 -0.91 117.98 123.22 1j3t s PHE 46 Ca 0.14 0.83 -0.07 0.00 -0.96 0.00 0.00 56.93 56.87 1j3t s PHE 46 Cb -0.10 -2.21 0.03 0.00 -0.34 0.00 0.00 43.02 40.39 1j3t s PHE 46 CO 0.04 0.34 0.34 0.41 -1.46 0.00 0.00 175.22 174.90 1j3t n GLY 47 N 0.12 1.43 3.15 13.12 0.00 -0.22 -0.52 105.19 122.27 1j3t n GLY 47 Ca -0.02 -1.08 -0.11 0.00 0.00 0.00 0.00 46.02 44.81 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 0.29 0.07 1.61 2.12 0.55 -1.13 118.70 120.17 1j3t s GLU 48 Ca 0.07 0.65 -0.12 0.00 0.36 0.00 0.00 54.97 55.93 1j3t s GLU 48 Cb -0.02 -0.07 0.01 0.00 0.26 0.00 0.00 34.13 34.31 1j3t s GLU 48 CO 0.04 -0.16 0.27 0.54 -0.54 0.00 0.00 175.26 175.41 1j3t s VAL 49 N 1.35 0.10 0.00 3.70 0.11 -1.22 -1.06 120.40 123.38 1j3t s VAL 49 Ca -0.09 -0.83 0.00 0.00 -2.93 0.00 0.00 61.98 58.13 1j3t s VAL 49 Cb -0.10 -1.08 0.00 0.00 -1.53 0.00 0.00 36.38 33.67 1j3t s VAL 49 CO -0.11 -0.46 0.00 1.41 -3.33 0.00 0.00 175.10 172.62 1j3t n HIS 50 N 0.28 0.00 0.00 1.54 8.25 -1.26 -1.39 115.22 122.65 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 -1.04 0.00 0.00 1.12 0.00 0.00 29.99 30.68 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 -2.00 1.07 2.78 -1.41 0.00 -1.26 -5.09 105.19 99.28 1j3t n GLY 51 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 0.85 0.98 -0.02 0.00 -0.48 -5.14 107.32 101.51 1j3t s GLY 52 Ca 0.00 -0.88 -0.11 0.00 0.00 0.00 0.00 44.72 43.73 1j3t s GLY 52 CO 0.00 1.32 1.12 0.50 0.00 0.00 0.00 173.10 176.04 1j3t s ARG 53 N 1.75 0.50 0.00 2.90 0.52 -1.26 -3.44 118.95 119.92 1j3t s ARG 53 Ca -0.02 1.41 0.00 0.00 -0.52 0.00 0.00 55.73 56.60 1j3t s ARG 53 Cb -0.17 -1.68 0.00 0.00 0.52 0.00 0.00 34.95 33.62 1j3t s ARG 53 CO -0.08 -2.94 0.00 0.41 0.02 0.00 0.00 175.30 172.71 1j3t n GLY 54 N 0.43 1.39 3.90 -3.53 0.00 -0.28 -4.52 105.19 102.57 1j3t n GLY 54 Ca 0.10 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.76 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 3.47 0.01 1.61 0.52 0.61 -1.05 118.94 122.11 1j3t s TRP 55 Ca 0.00 0.64 -0.21 0.00 0.02 0.00 0.00 56.10 56.54 1j3t s TRP 55 Cb 0.00 -2.09 0.04 0.00 -1.15 0.00 0.00 33.47 30.27 1j3t s TRP 55 CO 0.00 0.24 0.48 -0.59 0.02 0.00 0.00 176.95 177.09 1j3t s PHE 56 N -1.97 -0.37 -0.02 -1.98 -0.12 -0.09 -0.70 117.98 112.73 1j3t s PHE 56 Ca 0.44 0.50 -0.30 0.00 -0.05 0.00 0.00 56.93 57.52 1j3t s PHE 56 Cb -0.11 0.26 -0.06 0.00 -0.63 0.00 0.00 43.02 42.48 1j3t s PHE 56 CO 0.28 -0.56 1.71 -2.14 -0.05 0.00 0.00 175.22 174.46 1j3t s PRO 57 N -1.91 4.18 0.57 1.99 0.02 -1.26 -1.31 135.00 137.27 1j3t s PRO 57 Ca -0.08 2.28 0.33 0.00 0.02 0.00 0.00 61.00 63.54 1j3t s PRO 57 Cb -0.02 -3.97 1.73 0.00 0.02 0.00 0.00 34.50 32.26 1j3t s PRO 57 CO 0.02 -0.85 2.16 1.57 -0.33 0.00 0.00 177.00 179.57 1j3t h LYS 58 N 9.55 0.00 0.00 5.54 2.10 -1.64 -2.03 116.57 130.09 1j3t h LYS 58 Ca -0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 1j3t h LYS 58 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1j3t h LYS 58 CO 0.95 0.06 0.00 0.66 -2.00 0.00 0.00 179.45 179.12 1j3t h SER 59 N 0.00 0.00 0.90 7.07 4.64 -1.90 -1.81 113.55 122.46 1j3t h SER 59 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j3t h SER 59 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1j3t h SER 59 CO 0.01 0.00 0.00 1.88 -0.87 0.00 0.00 176.83 177.85 1j3t h TYR 60 N 0.00 0.00 -2.74 4.77 -1.99 -1.76 -3.46 116.97 111.78 1j3t h TYR 60 Ca 0.00 0.00 -0.51 0.00 2.00 0.00 0.00 58.73 60.22 1j3t h TYR 60 Cb 0.09 0.00 -0.14 0.00 2.00 0.00 0.00 36.73 38.68 1j3t h TYR 60 CO 0.00 0.00 -0.56 0.14 -0.00 0.00 0.00 178.16 177.74 1j3t s VAL 61 N -3.35 0.87 0.04 -2.88 -7.23 -0.68 -1.13 120.40 106.04 1j3t s VAL 61 Ca 0.05 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.25 1j3t s VAL 61 Cb 0.09 -2.56 -0.02 0.00 0.56 0.00 0.00 36.38 34.45 1j3t s VAL 61 CO 0.45 0.00 -0.11 -1.59 -0.31 0.00 0.00 175.10 173.54 1j3t s LYS 62 N -3.82 0.74 0.57 4.82 -2.85 -0.56 -4.82 119.74 113.81 1j3t s LYS 62 Ca 0.30 -0.70 -0.20 0.00 -1.00 0.00 0.00 55.97 54.37 1j3t s LYS 62 Cb 0.06 -0.68 -0.04 0.00 -2.06 0.00 0.00 37.83 35.11 1j3t s LYS 62 CO 0.15 0.16 1.26 0.42 0.10 0.00 0.00 175.35 177.44 1j3t s ILE 63 N -0.93 2.43 0.07 3.79 1.01 -1.26 -1.35 121.20 124.95 1j3t s ILE 63 Ca -0.02 0.29 0.09 0.00 0.00 0.00 0.00 60.65 61.01 1j3t s ILE 63 Cb -0.08 -3.13 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 1j3t s ILE 63 CO 0.01 -0.03 -0.25 -0.63 0.00 0.00 0.00 174.94 174.04 1j3t s ILE 64 N -1.46 2.04 -0.03 2.92 -1.09 -1.10 -4.83 121.20 117.64 1j3t s ILE 64 Ca 0.75 -1.46 -0.26 0.00 -2.23 0.00 0.00 60.65 57.45 1j3t s ILE 64 Cb -0.34 -1.77 -0.20 0.00 -1.58 0.00 0.00 42.46 38.56 1j3t s ILE 64 CO 0.39 0.23 1.19 1.55 -1.23 0.00 0.00 174.94 177.06 1j3t h PRO 65 N 4.51 -0.04 0.00 2.79 0.14 -1.96 -3.44 132.00 134.00 1j3t h PRO 65 Ca -0.47 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.67 1j3t h PRO 65 Cb 1.16 0.01 0.00 0.00 0.14 0.00 0.00 31.00 32.31 1j3t h PRO 65 CO 0.42 0.48 0.00 0.41 0.14 0.00 0.00 178.00 179.45 1j3t n GLY 66 N 0.35 0.84 2.50 1.56 0.00 -1.26 -4.98 105.19 104.20 1j3t n GLY 66 Ca -0.09 -0.21 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 1j3t n GLY 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1j3t n SER 67 N 0.00 2.75 -3.87 1.61 3.41 -1.26 -4.99 113.62 111.27 1j3t n SER 67 Ca 0.00 -3.30 -0.28 0.00 -0.26 0.00 0.00 58.87 55.03 1j3t n SER 67 Cb 0.00 -0.62 -0.16 0.00 -0.26 0.00 0.00 64.21 63.17 1j3t n SER 67 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1j3t s GLU 68 N -2.55 1.33 0.92 4.33 2.56 -1.26 -5.07 118.70 118.96 1j3t s GLU 68 Ca 0.42 -0.53 -0.10 0.00 0.00 0.00 0.00 54.97 54.75 1j3t s GLU 68 Cb 0.24 -2.04 0.15 0.00 2.00 0.00 0.00 34.13 34.47 1j3t s GLU 68 CO -0.08 -0.47 1.12 -1.54 -0.56 0.00 0.00 175.26 173.73 1j3t s SER 69 N 1.65 2.91 -0.34 -1.70 1.04 -1.26 -5.04 113.70 110.96 1j3t s SER 69 Ca -0.00 2.03 -0.04 0.00 0.48 0.00 0.00 55.95 58.42 1j3t s SER 69 Cb -0.16 -2.52 0.24 0.00 0.10 0.00 0.00 66.02 63.69 1j3t s SER 69 CO -0.07 -3.08 1.16 0.61 0.98 0.00 0.00 173.24 172.84 1j3t n GLY 70 N 0.03 -1.68 3.58 7.32 0.00 -1.26 -5.10 105.19 108.08 1j3t n GLY 70 Ca 0.10 1.11 -0.29 0.00 0.00 0.00 0.00 46.02 46.94 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 0.53 2.63 0.00 1.61 0.04 -1.26 -4.59 135.00 133.97 1j3t s PRO 71 Ca 0.25 -1.08 0.00 0.00 0.04 0.00 0.00 61.00 60.21 1j3t s PRO 71 Cb 0.17 -5.24 0.00 0.00 0.04 0.00 0.00 34.50 29.47 1j3t s PRO 71 CO -0.10 -3.73 0.00 0.45 0.04 0.00 0.00 177.00 173.66 1j3t n SER 72 N 13.81 0.00 -2.54 6.66 2.88 -1.26 -4.66 113.62 128.51 1j3t n SER 72 Ca 0.44 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.74 1j3t n SER 72 Cb 0.47 -0.30 0.02 0.00 -0.75 0.00 0.00 64.21 63.65 1j3t n SER 72 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1j3t n SER 73 N 0.00 -3.26 0.00 -3.46 7.64 -1.26 -5.36 113.62 107.93 1j3t n SER 73 Ca 0.00 -0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.76 1j3t n SER 73 Cb 0.00 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 1j3t n SER 73 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64