#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 -0.96 -0.87 1.61 1.04 -1.26 -4.99 113.70 108.27 1j3t s SER 2 Ca 0.00 0.55 -0.05 0.00 0.48 0.00 0.00 55.95 56.94 1j3t s SER 2 Cb 0.00 1.79 0.00 0.00 0.10 0.00 0.00 66.02 67.91 1j3t s SER 2 CO 0.00 -0.18 0.66 -1.20 0.98 0.00 0.00 173.24 173.50 1j3t n SER 3 N 5.44 -5.73 -3.50 7.02 7.64 -1.26 -4.94 113.62 118.29 1j3t n SER 3 Ca -0.03 -0.74 -0.37 0.00 1.01 0.00 0.00 58.87 58.74 1j3t n SER 3 Cb 0.53 -2.95 -0.00 0.00 -1.01 0.00 0.00 64.21 60.77 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 -1.71 5.81 5.00 0.23 0.00 -1.26 -4.88 105.19 108.38 1j3t n GLY 4 Ca -0.19 -2.66 0.00 0.00 0.00 0.00 0.00 46.02 43.18 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 0.13 0.00 -0.02 1.61 7.64 -1.26 -4.30 113.62 117.43 1j3t n SER 5 Ca 0.39 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 60.11 1j3t n SER 5 Cb 0.31 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.39 1j3t n SER 5 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1j3t h SER 6 N 0.00 0.28 -1.90 6.43 0.87 -2.01 -3.48 113.55 113.74 1j3t h SER 6 Ca 0.00 -0.83 -0.27 0.00 -1.23 0.00 0.00 61.79 59.46 1j3t h SER 6 Cb 0.00 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1j3t h SER 6 CO 0.00 1.08 -0.34 0.61 -0.53 0.00 0.00 176.83 177.65 1j3t n GLY 7 N 1.23 -0.16 3.83 5.77 0.00 -1.26 -5.02 105.19 109.57 1j3t n GLY 7 Ca -0.11 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.34 1j3t n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1j3t s VAL 8 N -2.67 2.10 0.00 1.61 -7.23 -1.26 -4.91 120.40 108.04 1j3t s VAL 8 Ca 0.00 -1.56 0.00 0.00 -1.81 0.00 0.00 61.98 58.61 1j3t s VAL 8 Cb 0.00 -2.66 0.00 0.00 0.56 0.00 0.00 36.38 34.28 1j3t s VAL 8 CO 0.00 0.00 0.00 1.21 -0.31 0.00 0.00 175.10 176.00 1j3t n GLU 9 N -1.50 0.55 -0.69 4.82 2.13 -1.26 -5.03 120.64 119.67 1j3t n GLU 9 Ca -0.01 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.50 1j3t n GLU 9 Cb 0.64 0.00 0.27 0.00 0.27 0.00 0.00 31.44 32.62 1j3t n GLU 9 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1j3t s ASN 10 N -0.80 -0.31 0.53 4.31 0.01 -1.26 -5.01 114.94 112.41 1j3t s ASN 10 Ca 0.00 0.71 -0.21 0.00 -0.71 0.00 0.00 52.86 52.65 1j3t s ASN 10 Cb 0.00 -0.98 -0.05 0.00 0.41 0.00 0.00 41.25 40.62 1j3t s ASN 10 CO 0.00 -4.89 1.28 -0.22 -1.51 0.00 0.00 177.10 171.76 1j3t s LEU 11 N -7.48 3.86 0.13 0.60 2.96 -1.25 -4.87 118.68 112.63 1j3t s LEU 11 Ca 0.70 2.57 0.10 0.00 -0.22 0.00 0.00 54.13 57.28 1j3t s LEU 11 Cb -0.11 -4.32 -0.04 0.00 0.50 0.00 0.00 46.19 42.22 1j3t s LEU 11 CO 0.57 -1.40 -0.25 -0.54 -1.32 0.00 0.00 176.35 173.41 1j3t s LYS 12 N -2.92 1.33 -0.06 1.98 1.02 -1.26 -0.09 119.74 119.73 1j3t s LYS 12 Ca 0.71 -1.31 -0.02 0.00 0.02 0.00 0.00 55.97 55.36 1j3t s LYS 12 Cb -0.35 -1.73 0.04 0.00 -0.52 0.00 0.00 37.83 35.26 1j3t s LYS 12 CO 0.41 0.40 0.12 0.00 -0.92 0.00 0.00 175.35 175.37 1j3t s ALA 13 N -1.16 -0.09 0.05 5.17 0.00 -0.61 -2.60 121.76 122.52 1j3t s ALA 13 Ca 0.12 0.49 -0.26 0.00 0.00 0.00 0.00 51.96 52.32 1j3t s ALA 13 Cb -0.10 -0.56 -0.05 0.00 0.00 0.00 0.00 23.12 22.41 1j3t s ALA 13 CO 0.06 -0.33 0.79 -1.14 0.00 0.00 0.00 175.76 175.13 1j3t s GLN 14 N 1.68 4.52 0.48 0.00 0.74 -0.55 -1.85 119.66 124.68 1j3t s GLN 14 Ca -0.03 1.11 -0.23 0.00 0.05 0.00 0.00 55.36 56.26 1j3t s GLN 14 Cb -0.12 -3.37 -0.07 0.00 1.10 0.00 0.00 33.01 30.55 1j3t s GLN 14 CO -0.05 0.26 1.26 0.00 -0.55 0.00 0.00 175.29 176.21 1j3t s ALA 15 N 0.01 2.96 -0.04 1.58 0.00 0.14 -1.44 121.76 124.97 1j3t s ALA 15 Ca 0.40 1.14 0.21 0.00 0.00 0.00 0.00 51.96 53.70 1j3t s ALA 15 Cb -0.21 -3.47 -0.32 0.00 0.00 0.00 0.00 23.12 19.12 1j3t s ALA 15 CO 0.24 -0.96 0.46 1.28 0.00 0.00 0.00 175.76 176.78 1j3t n LEU 16 N -0.59 0.01 -3.89 0.00 4.77 0.70 -1.89 117.00 116.12 1j3t n LEU 16 Ca 0.08 -0.01 -0.09 0.00 -0.03 0.00 0.00 56.01 55.96 1j3t n LEU 16 Cb 0.46 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.54 1j3t n LEU 16 CO 0.51 0.00 0.40 0.00 -1.33 0.00 0.00 177.39 176.98 1j3t s SER 18 N -3.03 6.42 -0.28 0.00 0.01 -1.26 -2.76 113.70 112.80 1j3t s SER 18 Ca 0.17 0.43 -0.20 0.00 1.31 0.00 0.00 55.95 57.66 1j3t s SER 18 Cb -0.04 -2.04 0.08 0.00 0.21 0.00 0.00 66.02 64.24 1j3t s SER 18 CO 0.10 0.26 0.75 0.86 0.41 0.00 0.00 173.24 175.63 1j3t s TRP 19 N -1.31 -0.88 0.84 2.43 -0.00 -0.31 -4.91 118.94 114.80 1j3t s TRP 19 Ca 0.27 1.90 -0.09 0.00 -0.00 0.00 0.00 56.10 58.19 1j3t s TRP 19 Cb -0.13 0.45 0.16 0.00 -0.00 0.00 0.00 33.47 33.96 1j3t s TRP 19 CO 0.17 -0.43 1.16 0.95 -0.00 0.00 0.00 176.95 178.81 1j3t s THR 20 N 1.03 2.06 1.09 5.86 -4.23 -1.26 -2.70 115.64 117.49 1j3t s THR 20 Ca -0.05 -0.28 -0.12 0.00 -1.18 0.00 0.00 61.69 60.06 1j3t s THR 20 Cb -0.05 -2.78 0.24 0.00 1.34 0.00 0.00 72.50 71.26 1j3t s THR 20 CO -0.11 0.00 1.06 0.00 -0.54 0.00 0.00 174.62 175.03 1j3t s ALA 21 N -3.53 0.08 0.27 3.99 0.00 -1.26 -4.70 121.76 116.61 1j3t s ALA 21 Ca 0.70 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.71 1j3t s ALA 21 Cb -0.05 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1j3t s ALA 21 CO 0.49 -3.53 0.00 1.63 0.00 0.00 0.00 175.76 174.35 1j3t n LYS 22 N -4.72 0.00 -2.72 0.00 4.01 -1.26 -5.09 118.16 108.38 1j3t n LYS 22 Ca 0.05 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.57 1j3t n LYS 22 Cb 0.54 0.00 -0.01 0.00 -0.51 0.00 0.00 35.03 35.04 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 -1.61 3.64 0.58 1.97 -0.14 -1.26 -5.00 119.74 117.92 1j3t s LYS 23 Ca 0.00 0.32 0.27 0.00 -1.36 0.00 0.00 55.97 55.20 1j3t s LYS 23 Cb 0.00 -2.38 1.62 0.00 -1.68 0.00 0.00 37.83 35.39 1j3t s LYS 23 CO 0.00 -0.14 2.12 -0.44 -0.76 0.00 0.00 175.35 176.13 1j3t h ASP 24 N 0.65 0.00 -0.41 2.83 3.32 -2.03 -2.72 116.42 118.07 1j3t h ASP 24 Ca -0.47 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.39 1j3t h ASP 24 Cb 1.20 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.64 1j3t h ASP 24 CO 0.63 0.00 0.01 0.59 -1.72 0.00 0.00 179.24 178.74 1j3t n ASN 25 N -3.95 2.83 -4.92 6.45 4.13 -1.26 -5.02 115.26 113.52 1j3t n ASN 25 Ca 0.01 -3.64 -0.26 0.00 1.68 0.00 0.00 54.58 52.37 1j3t n ASN 25 Cb 0.28 -0.64 0.03 0.00 -1.54 0.00 0.00 39.78 37.91 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 -3.19 3.26 -0.07 3.10 3.76 -1.03 -0.64 115.29 120.49 1j3t s HIS 26 Ca 0.46 0.57 -0.03 0.00 -0.15 0.00 0.00 55.06 55.90 1j3t s HIS 26 Cb 0.40 -2.64 -0.01 0.00 1.11 0.00 0.00 32.58 31.45 1j3t s HIS 26 CO 0.02 -0.71 -0.07 1.25 -0.85 0.00 0.00 174.74 174.39 1j3t h LEU 27 N -0.05 0.00 -1.42 0.89 7.12 -1.69 -3.39 115.31 116.77 1j3t h LEU 27 Ca -0.46 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.55 1j3t h LEU 27 Cb 1.25 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.38 1j3t h LEU 27 CO 0.60 0.35 0.00 0.59 -0.13 0.00 0.00 178.44 179.85 1j3t n ASN 28 N -3.45 -0.98 -4.38 1.25 3.02 -1.26 -4.68 115.26 104.78 1j3t n ASN 28 Ca -0.03 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.33 1j3t n ASN 28 Cb 0.10 -0.49 -0.10 0.00 -0.61 0.00 0.00 39.78 38.68 1j3t n ASN 28 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1j3t s PHE 29 N 0.00 1.73 0.37 3.10 -0.12 -1.10 -4.95 117.98 117.02 1j3t s PHE 29 Ca 0.00 -0.95 0.08 0.00 -0.05 0.00 0.00 56.93 56.01 1j3t s PHE 29 Cb 0.00 -1.05 -0.06 0.00 -0.63 0.00 0.00 43.02 41.29 1j3t s PHE 29 CO 0.00 -0.04 0.07 -1.12 -0.05 0.00 0.00 175.22 174.08 1j3t s SER 30 N -3.38 4.23 0.01 1.98 0.01 -1.26 -1.16 113.70 114.13 1j3t s SER 30 Ca 0.33 -1.06 -0.36 0.00 1.31 0.00 0.00 55.95 56.16 1j3t s SER 30 Cb 0.07 -0.50 -0.15 0.00 0.21 0.00 0.00 66.02 65.65 1j3t s SER 30 CO 0.12 -0.37 1.58 1.17 0.41 0.00 0.00 173.24 176.15 1j3t n LYS 31 N -1.05 1.64 -0.98 12.44 4.81 -1.11 -2.09 118.16 131.80 1j3t n LYS 31 Ca -0.03 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 1j3t n LYS 31 Cb 0.64 -2.32 0.00 0.00 0.02 0.00 0.00 35.03 33.37 1j3t n LYS 31 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1j3t n HIS 32 N 4.02 0.00 -1.81 5.64 8.25 -0.79 -4.92 115.22 125.60 1j3t n HIS 32 Ca 0.20 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.29 1j3t n HIS 32 Cb 0.23 -0.07 0.05 0.00 1.12 0.00 0.00 29.99 31.32 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 -2.69 4.99 -0.23 0.41 1.01 -0.89 -4.70 116.67 114.58 1j3t s ASP 33 Ca 0.00 2.64 -0.08 0.00 0.71 0.00 0.00 52.55 55.82 1j3t s ASP 33 Cb 0.00 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.27 1j3t s ASP 33 CO 0.00 -1.75 0.08 -0.63 0.21 0.00 0.00 175.17 173.08 1j3t s ILE 34 N -1.39 4.55 -0.10 0.77 -1.09 -1.26 -0.69 121.20 121.99 1j3t s ILE 34 Ca 0.77 -0.10 0.02 0.00 -2.23 0.00 0.00 60.65 59.11 1j3t s ILE 34 Cb -0.37 -3.10 -0.02 0.00 -1.58 0.00 0.00 42.46 37.39 1j3t s ILE 34 CO 0.42 0.37 -0.16 -0.63 -1.23 0.00 0.00 174.94 173.71 1j3t s ILE 35 N 1.18 2.83 -0.43 2.92 1.09 -0.77 -4.78 121.20 123.24 1j3t s ILE 35 Ca 0.05 -0.76 -0.28 0.00 -1.10 0.00 0.00 60.65 58.55 1j3t s ILE 35 Cb -0.14 -2.14 -0.01 0.00 -1.06 0.00 0.00 42.46 39.10 1j3t s ILE 35 CO 0.04 0.55 1.73 -0.89 -0.10 0.00 0.00 174.94 176.27 1j3t s THR 36 N 0.04 3.53 0.48 2.92 2.01 -0.06 -1.58 115.64 122.99 1j3t s THR 36 Ca -0.06 0.50 -0.22 0.00 0.31 0.00 0.00 61.69 62.22 1j3t s THR 36 Cb -0.15 -3.85 -0.07 0.00 0.01 0.00 0.00 72.50 68.44 1j3t s THR 36 CO 0.05 -0.63 1.14 -0.69 -0.69 0.00 0.00 174.62 173.80 1j3t s VAL 37 N 7.16 3.18 0.00 3.82 1.01 0.87 -0.17 120.40 136.28 1j3t s VAL 37 Ca 0.72 0.83 0.00 0.00 0.00 0.00 0.00 61.98 63.53 1j3t s VAL 37 Cb -0.18 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1j3t s VAL 37 CO 0.30 -0.07 0.00 0.18 0.00 0.00 0.00 175.10 175.51 1j3t n LEU 38 N -0.75 0.00 -3.49 3.92 4.77 0.14 -3.93 117.00 117.67 1j3t n LEU 38 Ca 0.09 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.97 1j3t n LEU 38 Cb 0.49 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.56 1j3t n LEU 38 CO 0.45 0.00 0.52 -0.70 -1.33 0.00 0.00 177.39 176.33 1j3t s GLU 39 N 0.00 1.14 -0.15 3.23 2.56 -1.11 -4.91 118.70 119.46 1j3t s GLU 39 Ca 0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 54.97 54.50 1j3t s GLU 39 Cb 0.00 0.51 0.05 0.00 2.00 0.00 0.00 34.13 36.69 1j3t s GLU 39 CO 0.00 -0.50 0.03 -0.65 -0.56 0.00 0.00 175.26 173.58 1j3t s GLN 40 N -3.52 0.55 0.00 4.30 -0.21 -1.26 -1.54 119.66 117.98 1j3t s GLN 40 Ca 0.03 -0.22 0.00 0.00 0.02 0.00 0.00 55.36 55.20 1j3t s GLN 40 Cb -0.01 -1.74 0.00 0.00 1.00 0.00 0.00 33.01 32.26 1j3t s GLN 40 CO -0.10 -0.55 0.00 1.04 -2.12 0.00 0.00 175.29 173.56 1j3t n GLN 41 N 5.11 2.29 -0.20 2.91 1.13 -0.16 -5.03 117.38 123.43 1j3t n GLN 41 Ca -0.08 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 54.99 1j3t n GLN 41 Cb 0.48 0.00 0.12 0.00 0.11 0.00 0.00 30.24 30.95 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 0.22 0.00 -1.09 4.11 -2.02 -3.36 114.58 112.44 1j3t h GLU 42 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1j3t h GLU 42 Cb 0.00 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1j3t h GLU 42 CO 0.00 0.15 0.00 0.09 0.07 0.00 0.00 179.01 179.32 1j3t n ASN 43 N -5.16 0.00 -4.37 3.06 3.02 -1.26 -5.11 115.26 105.44 1j3t n ASN 43 Ca 0.09 -1.00 -0.31 0.00 -0.03 0.00 0.00 54.58 53.34 1j3t n ASN 43 Cb 0.34 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.37 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 2.41 0.05 3.10 0.52 -1.26 -1.12 118.94 122.64 1j3t s TRP 44 Ca 0.00 -0.36 0.08 0.00 0.02 0.00 0.00 56.10 55.84 1j3t s TRP 44 Cb 0.00 -1.47 -0.03 0.00 -1.15 0.00 0.00 33.47 30.82 1j3t s TRP 44 CO 0.00 0.10 -0.24 -1.58 0.02 0.00 0.00 176.95 175.25 1j3t s TRP 45 N -0.75 2.08 0.33 -1.98 0.51 0.12 -0.98 118.94 118.27 1j3t s TRP 45 Ca 0.12 -0.39 -0.08 0.00 -2.12 0.00 0.00 56.10 53.62 1j3t s TRP 45 Cb -0.10 -1.23 -0.06 0.00 -0.81 0.00 0.00 33.47 31.27 1j3t s TRP 45 CO 0.01 0.12 0.64 0.12 -0.51 0.00 0.00 176.95 177.34 1j3t s PHE 46 N -0.83 3.47 0.05 -1.98 5.36 -0.59 -0.63 117.98 122.83 1j3t s PHE 46 Ca 0.10 0.83 -0.15 0.00 -0.96 0.00 0.00 56.93 56.75 1j3t s PHE 46 Cb -0.09 -2.26 0.05 0.00 -0.34 0.00 0.00 43.02 40.38 1j3t s PHE 46 CO 0.02 0.07 0.71 0.41 -1.46 0.00 0.00 175.22 174.98 1j3t n GLY 47 N -0.98 0.62 2.79 13.12 0.00 -0.65 -0.68 105.19 119.41 1j3t n GLY 47 Ca 0.00 -1.01 -0.15 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.02 -0.01 0.05 1.61 2.12 0.76 -1.50 118.70 119.71 1j3t s GLU 48 Ca 0.16 0.27 -0.12 0.00 0.36 0.00 0.00 54.97 55.64 1j3t s GLU 48 Cb -0.01 -0.27 0.01 0.00 0.26 0.00 0.00 34.13 34.12 1j3t s GLU 48 CO 0.01 -0.20 0.27 0.54 -0.54 0.00 0.00 175.26 175.35 1j3t s VAL 49 N 1.29 0.09 -0.85 3.70 0.11 0.04 -0.88 120.40 123.90 1j3t s VAL 49 Ca -0.07 -0.78 -0.00 0.00 -2.93 0.00 0.00 61.98 58.20 1j3t s VAL 49 Cb -0.13 -0.97 0.00 0.00 -1.53 0.00 0.00 36.38 33.75 1j3t s VAL 49 CO -0.04 -0.43 0.00 1.41 -3.33 0.00 0.00 175.10 172.71 1j3t n HIS 50 N 0.53 -1.53 -0.98 1.54 8.25 -1.26 -0.75 115.22 121.01 1j3t n HIS 50 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1j3t n HIS 50 Cb 0.60 -2.42 0.00 0.00 1.12 0.00 0.00 29.99 29.29 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 -0.75 0.68 3.48 -1.41 0.00 -1.26 -5.03 105.19 100.91 1j3t n GLY 51 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 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 1.56 0.36 -0.02 0.00 0.07 -5.14 107.32 102.15 1j3t s GLY 52 Ca 0.00 -0.95 0.07 0.00 0.00 0.00 0.00 44.72 43.83 1j3t s GLY 52 CO 0.00 -0.68 0.50 0.50 0.00 0.00 0.00 173.10 173.42 1j3t s ARG 53 N -0.61 3.05 0.00 2.90 0.52 -1.26 -0.78 118.95 122.76 1j3t s ARG 53 Ca 0.09 -1.04 0.00 0.00 -0.52 0.00 0.00 55.73 54.26 1j3t s ARG 53 Cb -0.11 -2.79 0.00 0.00 0.52 0.00 0.00 34.95 32.56 1j3t s ARG 53 CO 0.01 -0.03 0.00 0.41 0.02 0.00 0.00 175.30 175.71 1j3t n GLY 54 N -1.71 0.64 3.88 -3.53 0.00 -0.56 -4.26 105.19 99.64 1j3t n GLY 54 Ca 0.02 -1.36 -0.31 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.89 3.44 0.01 1.61 0.52 0.19 -1.64 118.94 121.19 1j3t s TRP 55 Ca 0.00 0.92 -0.21 0.00 0.02 0.00 0.00 56.10 56.83 1j3t s TRP 55 Cb 0.00 -2.32 0.04 0.00 -1.15 0.00 0.00 33.47 30.04 1j3t s TRP 55 CO 0.00 0.10 0.46 -0.59 0.02 0.00 0.00 176.95 176.94 1j3t s PHE 56 N -2.08 -0.35 0.03 -1.98 -0.12 0.20 -2.69 117.98 110.99 1j3t s PHE 56 Ca 0.49 0.47 -0.30 0.00 -0.05 0.00 0.00 56.93 57.53 1j3t s PHE 56 Cb -0.11 0.25 -0.07 0.00 -0.63 0.00 0.00 43.02 42.46 1j3t s PHE 56 CO 0.26 -0.54 1.50 -1.25 -0.05 0.00 0.00 175.22 175.13 1j3t s PRO 57 N -1.88 4.25 0.50 1.99 0.04 -1.26 -0.70 135.00 137.94 1j3t s PRO 57 Ca -0.09 2.11 0.34 0.00 0.04 0.00 0.00 61.00 63.40 1j3t s PRO 57 Cb -0.02 -3.56 1.62 0.00 0.04 0.00 0.00 34.50 32.58 1j3t s PRO 57 CO 0.02 -0.63 2.01 1.57 0.04 0.00 0.00 177.00 180.01 1j3t h LYS 58 N 7.96 0.00 0.00 4.56 2.10 -1.47 -2.86 116.57 126.87 1j3t h LYS 58 Ca -0.40 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.22 1j3t h LYS 58 Cb 1.19 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1j3t h LYS 58 CO 0.91 0.00 -0.14 0.66 -2.00 0.00 0.00 179.45 178.88 1j3t h SER 59 N 0.00 0.00 0.31 7.07 4.64 -1.91 -1.20 113.55 122.46 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 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1j3t h SER 59 CO 0.00 0.14 0.00 -1.22 -0.87 0.00 0.00 176.83 174.88 1j3t n TYR 60 N -3.48 0.00 -4.39 4.77 4.02 -1.08 -4.88 117.16 112.13 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 0.30 -0.18 -0.09 0.00 -0.02 0.00 0.00 39.34 39.35 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 -2.36 0.43 0.03 -0.72 -7.23 -0.45 -0.21 120.40 109.88 1j3t s VAL 61 Ca 0.31 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.49 1j3t s VAL 61 Cb 0.18 -2.49 -0.02 0.00 0.56 0.00 0.00 36.38 34.61 1j3t s VAL 61 CO 0.37 0.00 -0.06 -1.59 -0.31 0.00 0.00 175.10 173.51 1j3t s LYS 62 N -3.77 0.42 0.69 4.82 -2.85 -0.52 -4.84 119.74 113.69 1j3t s LYS 62 Ca 0.33 -0.56 -0.16 0.00 -1.00 0.00 0.00 55.97 54.57 1j3t s LYS 62 Cb 0.04 -0.20 0.01 0.00 -2.06 0.00 0.00 37.83 35.63 1j3t s LYS 62 CO 0.17 0.04 1.22 0.42 0.10 0.00 0.00 175.35 177.30 1j3t s ILE 63 N -1.07 2.37 -0.01 3.79 1.01 -1.26 -1.49 121.20 124.54 1j3t s ILE 63 Ca -0.08 0.20 0.08 0.00 0.00 0.00 0.00 60.65 60.84 1j3t s ILE 63 Cb -0.08 -2.87 -0.02 0.00 0.01 0.00 0.00 42.46 39.50 1j3t s ILE 63 CO -0.00 -0.08 -0.26 -0.63 0.00 0.00 0.00 174.94 173.97 1j3t s ILE 64 N -1.83 2.03 0.09 2.92 1.01 -1.07 -4.81 121.20 119.54 1j3t s ILE 64 Ca 0.76 -1.12 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 1j3t s ILE 64 Cb -0.30 -1.69 -0.26 0.00 0.01 0.00 0.00 42.46 40.22 1j3t s ILE 64 CO 0.42 0.55 1.19 1.55 0.00 0.00 0.00 174.94 178.64 1j3t h PRO 65 N 5.42 0.21 -1.72 2.79 0.13 -1.96 -3.44 132.00 133.42 1j3t h PRO 65 Ca -0.43 -0.34 0.35 0.00 -0.87 0.00 0.00 66.00 64.71 1j3t h PRO 65 Cb 1.12 0.13 -0.10 0.00 0.13 0.00 0.00 31.00 32.28 1j3t h PRO 65 CO 0.47 1.15 0.91 0.20 -0.23 0.00 0.00 178.00 180.50 1j3t s GLY 66 N -4.65 -0.29 -0.39 1.56 0.00 -1.26 -5.10 107.32 97.19 1j3t s GLY 66 Ca -0.03 0.40 0.10 0.00 0.00 0.00 0.00 44.72 45.20 1j3t s GLY 66 CO 0.87 3.17 0.78 1.44 0.00 0.00 0.00 173.10 179.35 1j3t n SER 67 N -0.79 0.15 -3.40 1.64 7.64 -1.26 -5.04 113.62 112.56 1j3t n SER 67 Ca -0.02 -3.10 -0.26 0.00 1.01 0.00 0.00 58.87 56.50 1j3t n SER 67 Cb 0.61 -0.14 -0.10 0.00 -1.01 0.00 0.00 64.21 63.56 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 -1.79 0.69 0.00 1.43 2.12 -1.26 -4.87 118.70 115.02 1j3t s GLU 68 Ca 0.36 -1.51 0.00 0.00 0.36 0.00 0.00 54.97 54.19 1j3t s GLU 68 Cb 0.32 -1.21 0.00 0.00 0.26 0.00 0.00 34.13 33.50 1j3t s GLU 68 CO -0.08 -1.27 0.00 0.45 -0.54 0.00 0.00 175.26 173.82 1j3t n SER 69 N 3.64 4.51 -3.42 -1.70 2.88 -1.26 -5.09 113.62 113.18 1j3t n SER 69 Ca 0.18 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.59 1j3t n SER 69 Cb 0.42 0.55 -0.04 0.00 -0.75 0.00 0.00 64.21 64.40 1j3t n SER 69 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1j3t s GLY 70 N -2.58 1.12 0.64 0.46 0.00 -1.26 -5.16 107.32 100.55 1j3t s GLY 70 Ca 0.00 -1.28 -0.15 0.00 0.00 0.00 0.00 44.72 43.29 1j3t s GLY 70 CO 0.00 -0.84 1.11 2.56 0.00 0.00 0.00 173.10 175.93 1j3t s PRO 71 N -3.23 2.87 -0.95 2.90 0.04 -1.26 -3.69 135.00 131.68 1j3t s PRO 71 Ca 0.27 1.41 -0.05 0.00 0.04 0.00 0.00 61.00 62.67 1j3t s PRO 71 Cb -0.01 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1j3t s PRO 71 CO 0.16 -1.20 0.84 0.45 0.04 0.00 0.00 177.00 177.29 1j3t n SER 72 N -2.29 -6.90 0.01 6.66 2.88 -1.26 -4.94 113.62 107.78 1j3t n SER 72 Ca 0.10 -0.53 0.09 0.00 -1.33 0.00 0.00 58.87 57.20 1j3t n SER 72 Cb 0.52 -5.06 0.39 0.00 -0.75 0.00 0.00 64.21 59.31 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 -2.72 0.03 0.00 -3.46 7.64 -1.24 -5.09 113.62 108.78 1j3t n SER 73 Ca -0.05 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.33 1j3t n SER 73 Cb 0.58 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1j3t n SER 73 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64