#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 0.00 -3.84 1.61 7.64 -1.26 -4.96 113.62 112.81 1j3t n SER 2 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 1j3t n SER 2 Cb 0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.06 1j3t n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1j3t s SER 3 N 0.00 4.06 0.77 6.43 0.01 -1.26 -5.01 113.70 118.71 1j3t s SER 3 Ca 0.00 -2.67 0.00 0.00 1.31 0.00 0.00 55.95 54.59 1j3t s SER 3 Cb 0.00 -1.33 0.00 0.00 0.21 0.00 0.00 66.02 64.90 1j3t s SER 3 CO 0.00 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 173.99 1j3t n GLY 4 N 3.52 -0.56 0.00 3.44 0.00 -1.26 -5.10 105.19 105.23 1j3t n GLY 4 Ca 0.06 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.83 0.00 -4.57 1.61 7.64 -1.26 -4.30 113.62 109.91 1j3t n SER 5 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.48 1j3t n SER 5 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1j3t n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1j3t s SER 6 N -1.78 6.47 -0.05 6.43 0.01 -1.26 -4.17 113.70 119.34 1j3t s SER 6 Ca 0.00 -1.81 0.24 0.00 1.31 0.00 0.00 55.95 55.69 1j3t s SER 6 Cb 0.00 -2.57 0.43 0.00 0.21 0.00 0.00 66.02 64.08 1j3t s SER 6 CO 0.00 -1.54 1.16 0.61 0.41 0.00 0.00 173.24 173.87 1j3t n GLY 7 N 6.23 1.14 3.53 3.44 0.00 -1.26 -5.09 105.19 113.18 1j3t n GLY 7 Ca 0.41 -0.85 -0.25 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.73 1.41 0.00 1.61 -7.23 -1.26 -4.98 120.40 109.22 1j3t s VAL 8 Ca 0.31 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.48 1j3t s VAL 8 Cb 0.36 -2.79 0.00 0.00 0.56 0.00 0.00 36.38 34.52 1j3t s VAL 8 CO -0.14 0.00 0.00 1.21 -0.31 0.00 0.00 175.10 175.86 1j3t n GLU 9 N -0.83 0.00 -0.67 4.82 2.13 -1.26 -5.17 120.64 119.66 1j3t n GLU 9 Ca -0.05 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.49 1j3t n GLU 9 Cb 0.67 0.00 0.25 0.00 0.27 0.00 0.00 31.44 32.63 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 -0.82 -2.87 -4.75 4.31 3.02 -1.26 -5.03 115.26 107.86 1j3t n ASN 10 Ca 0.00 -1.01 -0.36 0.00 -0.03 0.00 0.00 54.58 53.18 1j3t n ASN 10 Cb 0.00 -0.95 0.04 0.00 -0.61 0.00 0.00 39.78 38.26 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 0.00 3.60 0.13 3.41 2.96 -1.24 -4.88 118.68 122.66 1j3t s LEU 11 Ca 0.66 2.38 0.11 0.00 -0.22 0.00 0.00 54.13 57.06 1j3t s LEU 11 Cb -0.08 -4.60 -0.04 0.00 0.50 0.00 0.00 46.19 41.97 1j3t s LEU 11 CO 0.52 -1.70 -0.27 -0.54 -1.32 0.00 0.00 176.35 173.04 1j3t s LYS 12 N -3.44 1.39 -0.02 1.98 1.02 -1.26 0.00 119.74 119.42 1j3t s LYS 12 Ca 0.77 -1.33 0.01 0.00 0.02 0.00 0.00 55.97 55.44 1j3t s LYS 12 Cb -0.30 -1.87 0.02 0.00 -0.52 0.00 0.00 37.83 35.16 1j3t s LYS 12 CO 0.35 0.44 -0.01 0.00 -0.92 0.00 0.00 175.35 175.22 1j3t s ALA 13 N -1.06 0.28 -0.01 5.17 0.00 -0.56 -2.41 121.76 123.18 1j3t s ALA 13 Ca 0.13 0.08 -0.26 0.00 0.00 0.00 0.00 51.96 51.92 1j3t s ALA 13 Cb -0.10 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 1j3t s ALA 13 CO 0.06 -0.03 0.79 -1.14 0.00 0.00 0.00 175.76 175.44 1j3t s GLN 14 N 0.67 4.49 0.40 0.00 0.74 -0.03 -1.29 119.66 124.64 1j3t s GLN 14 Ca -0.07 1.08 -0.26 0.00 0.05 0.00 0.00 55.36 56.17 1j3t s GLN 14 Cb -0.10 -3.42 -0.08 0.00 1.10 0.00 0.00 33.01 30.51 1j3t s GLN 14 CO -0.01 0.12 1.23 0.00 -0.55 0.00 0.00 175.29 176.08 1j3t s ALA 15 N 0.51 3.20 -0.26 1.58 0.00 0.36 -0.53 121.76 126.61 1j3t s ALA 15 Ca 0.41 1.09 0.22 0.00 0.00 0.00 0.00 51.96 53.68 1j3t s ALA 15 Cb -0.20 -3.43 -0.22 0.00 0.00 0.00 0.00 23.12 19.27 1j3t s ALA 15 CO 0.22 -0.67 0.69 1.28 0.00 0.00 0.00 175.76 177.29 1j3t n LEU 16 N 0.10 0.33 -3.85 0.00 4.77 0.94 -1.20 117.00 118.10 1j3t n LEU 16 Ca 0.04 -0.02 -0.09 0.00 -0.03 0.00 0.00 56.01 55.91 1j3t n LEU 16 Cb 0.45 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.48 1j3t n LEU 16 CO 0.53 0.01 0.26 0.00 -1.33 0.00 0.00 177.39 176.86 1j3t s SER 18 N -2.93 6.65 -0.19 0.00 0.01 -1.26 -4.22 113.70 111.75 1j3t s SER 18 Ca 0.14 1.82 -0.27 0.00 1.31 0.00 0.00 55.95 58.95 1j3t s SER 18 Cb -0.02 -2.55 0.07 0.00 0.21 0.00 0.00 66.02 63.73 1j3t s SER 18 CO 0.03 -0.57 0.70 0.86 0.41 0.00 0.00 173.24 174.67 1j3t s TRP 19 N -2.06 -0.73 -0.04 2.43 -0.00 -0.35 -4.93 118.94 113.26 1j3t s TRP 19 Ca 0.64 1.64 -0.02 0.00 -0.00 0.00 0.00 56.10 58.36 1j3t s TRP 19 Cb -0.13 0.31 -0.04 0.00 -0.00 0.00 0.00 33.47 33.61 1j3t s TRP 19 CO 0.17 -0.45 0.09 0.95 -0.00 0.00 0.00 176.95 177.71 1j3t s THR 20 N -0.14 4.88 0.11 5.86 -4.23 -1.26 -1.90 115.64 118.96 1j3t s THR 20 Ca -0.04 -0.25 -0.25 0.00 -1.18 0.00 0.00 61.69 59.97 1j3t s THR 20 Cb -0.03 -3.20 -0.08 0.00 1.34 0.00 0.00 72.50 70.53 1j3t s THR 20 CO 0.04 0.43 1.66 0.00 -0.54 0.00 0.00 174.62 176.21 1j3t h ALA 21 N 4.37 -0.30 0.00 3.99 0.00 -1.90 -3.46 119.26 121.96 1j3t h ALA 21 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1j3t h ALA 21 Cb 1.19 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1j3t h ALA 21 CO 0.61 -0.71 0.00 1.63 0.00 0.00 0.00 179.25 180.78 1j3t n LYS 22 N -5.32 0.00 -4.48 0.00 5.02 -1.26 -4.71 118.16 107.41 1j3t n LYS 22 Ca -0.06 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.00 1j3t n LYS 22 Cb 0.23 -2.60 -0.10 0.00 -0.02 0.00 0.00 35.03 32.54 1j3t n LYS 22 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1j3t s LYS 23 N 0.00 1.73 0.19 1.97 -0.14 -1.26 -5.05 119.74 117.17 1j3t s LYS 23 Ca 0.00 -1.98 -0.12 0.00 -1.36 0.00 0.00 55.97 52.51 1j3t s LYS 23 Cb 0.00 -0.92 0.11 0.00 -1.68 0.00 0.00 37.83 35.34 1j3t s LYS 23 CO 0.00 -0.22 1.85 0.38 -0.76 0.00 0.00 175.35 176.60 1j3t h ASP 24 N 2.03 0.75 -0.17 2.83 2.03 -2.02 -3.32 116.42 118.55 1j3t h ASP 24 Ca -0.40 -0.04 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 1j3t h ASP 24 Cb 1.25 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 39.56 1j3t h ASP 24 CO 0.69 0.56 0.00 0.59 -1.03 0.00 0.00 179.24 180.05 1j3t n ASN 25 N -4.62 2.88 -4.95 4.15 4.13 -1.26 -4.93 115.26 110.67 1j3t n ASN 25 Ca 0.05 -1.92 -0.24 0.00 1.68 0.00 0.00 54.58 54.16 1j3t n ASN 25 Cb 0.03 -0.10 0.01 0.00 -1.54 0.00 0.00 39.78 38.19 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 -1.80 3.24 0.33 3.10 3.76 -1.25 -0.64 115.29 122.02 1j3t s HIS 26 Ca 0.33 0.31 -0.01 0.00 -0.15 0.00 0.00 55.06 55.55 1j3t s HIS 26 Cb 0.21 -2.38 -0.04 0.00 1.11 0.00 0.00 32.58 31.48 1j3t s HIS 26 CO 0.31 -0.43 0.54 -1.17 -0.85 0.00 0.00 174.74 173.14 1j3t s LEU 27 N -4.63 4.03 -0.09 0.89 1.98 0.11 -4.39 118.68 116.58 1j3t s LEU 27 Ca 0.49 0.51 -0.00 0.00 -2.89 0.00 0.00 54.13 52.24 1j3t s LEU 27 Cb -0.10 -3.36 0.02 0.00 0.66 0.00 0.00 46.19 43.42 1j3t s LEU 27 CO 0.39 -0.26 -0.07 0.54 -1.89 0.00 0.00 176.35 175.07 1j3t s ASN 28 N -3.80 1.87 0.27 3.68 6.03 -1.26 -3.69 114.94 118.05 1j3t s ASN 28 Ca 0.41 -0.24 0.03 0.00 -1.03 0.00 0.00 52.86 52.02 1j3t s ASN 28 Cb -0.10 -0.72 -0.04 0.00 -3.03 0.00 0.00 41.25 37.36 1j3t s ASN 28 CO 0.35 -0.10 0.19 0.72 -2.03 0.00 0.00 177.10 176.22 1j3t s PHE 29 N 1.51 1.49 0.32 1.54 -0.12 -0.80 -4.85 117.98 117.07 1j3t s PHE 29 Ca 0.00 -1.47 0.01 0.00 -0.05 0.00 0.00 56.93 55.42 1j3t s PHE 29 Cb -0.13 -0.70 0.01 0.00 -0.63 0.00 0.00 43.02 41.57 1j3t s PHE 29 CO -0.05 -0.68 0.08 0.43 -0.05 0.00 0.00 175.22 174.95 1j3t n SER 30 N -0.89 2.59 -4.73 1.98 7.64 -1.26 -1.21 113.62 117.75 1j3t n SER 30 Ca 0.04 -2.28 -0.41 0.00 1.01 0.00 0.00 58.87 57.22 1j3t n SER 30 Cb 0.64 0.14 -0.04 0.00 -1.01 0.00 0.00 64.21 63.94 1j3t n SER 30 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1j3t s LYS 31 N -3.19 4.69 0.00 1.43 2.20 -1.26 -3.14 119.74 120.46 1j3t s LYS 31 Ca 0.06 1.45 0.00 0.00 -0.36 0.00 0.00 55.97 57.12 1j3t s LYS 31 Cb -0.00 -3.38 0.00 0.00 -1.51 0.00 0.00 37.83 32.93 1j3t s LYS 31 CO 0.04 0.19 0.00 0.72 -0.36 0.00 0.00 175.35 175.94 1j3t n HIS 32 N 2.88 0.00 -0.86 4.03 8.25 -0.34 -4.95 115.22 124.23 1j3t n HIS 32 Ca 0.03 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.17 1j3t n HIS 32 Cb 0.49 -1.52 0.15 0.00 1.12 0.00 0.00 29.99 30.23 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 -2.01 3.25 -0.14 0.41 1.11 -1.19 -4.68 116.67 113.43 1j3t s ASP 33 Ca 0.00 2.19 0.02 0.00 0.18 0.00 0.00 52.55 54.94 1j3t s ASP 33 Cb 0.00 -2.57 0.01 0.00 1.07 0.00 0.00 42.92 41.43 1j3t s ASP 33 CO 0.00 -2.88 -0.21 -0.63 1.18 0.00 0.00 175.17 172.62 1j3t s ILE 34 N -2.56 2.14 -0.08 0.77 -1.09 -1.26 -0.49 121.20 118.63 1j3t s ILE 34 Ca 0.68 -0.95 0.05 0.00 -2.23 0.00 0.00 60.65 58.19 1j3t s ILE 34 Cb -0.23 -1.86 -0.00 0.00 -1.58 0.00 0.00 42.46 38.78 1j3t s ILE 34 CO 0.56 0.55 -0.24 -0.63 -1.23 0.00 0.00 174.94 173.94 1j3t s ILE 35 N 0.77 2.03 -0.30 2.92 1.09 -0.41 -4.78 121.20 122.51 1j3t s ILE 35 Ca -0.08 -1.02 -0.29 0.00 -1.10 0.00 0.00 60.65 58.16 1j3t s ILE 35 Cb -0.16 -1.74 -0.01 0.00 -1.06 0.00 0.00 42.46 39.49 1j3t s ILE 35 CO -0.01 0.56 1.61 -0.89 -0.10 0.00 0.00 174.94 176.11 1j3t s THR 36 N 0.15 3.70 0.44 2.92 2.01 -0.29 -1.49 115.64 123.09 1j3t s THR 36 Ca -0.13 0.76 -0.20 0.00 0.31 0.00 0.00 61.69 62.42 1j3t s THR 36 Cb -0.16 -3.82 -0.11 0.00 0.01 0.00 0.00 72.50 68.42 1j3t s THR 36 CO 0.07 -0.44 0.95 -0.69 -0.69 0.00 0.00 174.62 173.82 1j3t s VAL 37 N 5.70 4.42 0.00 3.82 1.01 0.10 -0.07 120.40 135.37 1j3t s VAL 37 Ca 0.71 1.44 0.00 0.00 0.00 0.00 0.00 61.98 64.13 1j3t s VAL 37 Cb -0.21 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1j3t s VAL 37 CO 0.31 -0.37 0.00 0.18 0.00 0.00 0.00 175.10 175.22 1j3t n LEU 38 N -0.76 0.06 -3.53 3.92 4.77 0.02 -3.59 117.00 117.90 1j3t n LEU 38 Ca 0.07 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.93 1j3t n LEU 38 Cb 0.54 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.59 1j3t n LEU 38 CO 0.38 0.01 0.30 -0.70 -1.33 0.00 0.00 177.39 176.05 1j3t s GLU 39 N -1.21 1.15 -0.28 3.23 2.12 -1.11 -4.96 118.70 117.65 1j3t s GLU 39 Ca 0.00 -0.46 -0.03 0.00 0.36 0.00 0.00 54.97 54.84 1j3t s GLU 39 Cb 0.00 0.52 0.09 0.00 0.26 0.00 0.00 34.13 35.00 1j3t s GLU 39 CO 0.00 -0.46 0.11 -0.65 -0.54 0.00 0.00 175.26 173.72 1j3t s GLN 40 N -3.35 0.36 0.00 4.30 -0.21 -1.26 -1.46 119.66 118.04 1j3t s GLN 40 Ca -0.00 -0.64 0.00 0.00 0.02 0.00 0.00 55.36 54.73 1j3t s GLN 40 Cb -0.00 -1.51 0.00 0.00 1.00 0.00 0.00 33.01 32.50 1j3t s GLN 40 CO -0.09 -0.96 0.00 1.04 -2.12 0.00 0.00 175.29 173.16 1j3t n GLN 41 N 5.12 0.18 -0.30 2.91 1.13 0.07 -4.96 117.38 121.52 1j3t n GLN 41 Ca -0.05 0.00 0.11 0.00 -1.94 0.00 0.00 57.00 55.12 1j3t n GLN 41 Cb 0.43 0.00 0.28 0.00 0.11 0.00 0.00 30.24 31.06 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 0.44 0.00 -1.09 4.11 -2.02 -3.36 114.58 112.66 1j3t h GLU 42 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1j3t h GLU 42 Cb 0.00 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1j3t h GLU 42 CO 0.00 0.29 0.00 0.09 0.07 0.00 0.00 179.01 179.46 1j3t n ASN 43 N -5.00 0.00 -4.84 3.06 3.02 -1.26 -5.10 115.26 105.14 1j3t n ASN 43 Ca 0.21 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.38 1j3t n ASN 43 Cb 0.59 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.70 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 3.73 0.11 3.10 0.52 -1.26 -0.48 118.94 124.66 1j3t s TRP 44 Ca 0.00 0.99 0.10 0.00 0.02 0.00 0.00 56.10 57.21 1j3t s TRP 44 Cb 0.00 -2.29 -0.04 0.00 -1.15 0.00 0.00 33.47 29.99 1j3t s TRP 44 CO 0.00 0.64 -0.24 -1.58 0.02 0.00 0.00 176.95 175.80 1j3t s TRP 45 N -1.07 2.40 -0.01 -1.98 0.51 0.21 -0.75 118.94 118.25 1j3t s TRP 45 Ca 0.24 -0.34 -0.05 0.00 -2.12 0.00 0.00 56.10 53.83 1j3t s TRP 45 Cb -0.17 -1.30 -0.04 0.00 -0.81 0.00 0.00 33.47 31.14 1j3t s TRP 45 CO 0.13 0.33 0.22 0.12 -0.51 0.00 0.00 176.95 177.25 1j3t s PHE 46 N -1.06 3.57 0.06 -1.98 5.36 -0.54 -0.47 117.98 122.92 1j3t s PHE 46 Ca 0.15 0.48 -0.22 0.00 -0.96 0.00 0.00 56.93 56.38 1j3t s PHE 46 Cb -0.10 -1.92 0.08 0.00 -0.34 0.00 0.00 43.02 40.73 1j3t s PHE 46 CO 0.07 0.63 1.04 0.41 -1.46 0.00 0.00 175.22 175.91 1j3t n GLY 47 N 1.11 0.44 2.70 13.12 0.00 -0.63 -0.80 105.19 121.14 1j3t n GLY 47 Ca -0.12 -1.07 -0.19 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.06 0.07 1.61 2.12 0.89 -1.30 118.70 120.00 1j3t s GLU 48 Ca 0.24 0.41 -0.13 0.00 0.36 0.00 0.00 54.97 55.84 1j3t s GLU 48 Cb -0.01 -0.47 0.02 0.00 0.26 0.00 0.00 34.13 33.93 1j3t s GLU 48 CO 0.02 -0.32 0.30 0.54 -0.54 0.00 0.00 175.26 175.25 1j3t s VAL 49 N 2.17 0.09 -1.44 3.70 0.11 -0.20 -1.14 120.40 123.70 1j3t s VAL 49 Ca 0.04 -0.77 0.00 0.00 -2.93 0.00 0.00 61.98 58.33 1j3t s VAL 49 Cb -0.12 -1.08 0.00 0.00 -1.53 0.00 0.00 36.38 33.65 1j3t s VAL 49 CO -0.03 -0.42 0.00 1.41 -3.33 0.00 0.00 175.10 172.72 1j3t n HIS 50 N 0.26 -0.65 -1.18 1.54 8.25 -1.26 -1.28 115.22 120.90 1j3t n HIS 50 Ca -0.17 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.23 1j3t n HIS 50 Cb 0.61 -3.23 -0.03 0.00 1.12 0.00 0.00 29.99 28.46 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 -1.01 0.77 3.28 -1.41 0.00 -1.26 -5.00 105.19 100.56 1j3t n GLY 51 Ca -0.19 -0.22 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.43 1.21 0.17 -0.02 0.00 -0.41 -5.17 107.32 100.67 1j3t s GLY 52 Ca 0.00 -1.57 0.09 0.00 0.00 0.00 0.00 44.72 43.24 1j3t s GLY 52 CO 0.00 -1.63 -0.19 0.50 0.00 0.00 0.00 173.10 171.78 1j3t s ARG 53 N -3.75 1.30 0.00 2.90 0.52 -1.26 -1.03 118.95 117.62 1j3t s ARG 53 Ca 0.20 -1.41 0.00 0.00 -0.52 0.00 0.00 55.73 54.00 1j3t s ARG 53 Cb 0.03 -1.40 0.00 0.00 0.52 0.00 0.00 34.95 34.10 1j3t s ARG 53 CO 0.03 0.29 0.00 0.41 0.02 0.00 0.00 175.30 176.05 1j3t n GLY 54 N 0.33 0.15 3.86 -3.53 0.00 -0.42 -4.62 105.19 100.96 1j3t n GLY 54 Ca -0.13 -1.07 -0.31 0.00 0.00 0.00 0.00 46.02 44.51 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 3.42 0.00 1.61 0.52 0.19 -1.60 118.94 121.08 1j3t s TRP 55 Ca 0.00 1.13 -0.17 0.00 0.02 0.00 0.00 56.10 57.08 1j3t s TRP 55 Cb 0.00 -2.49 0.03 0.00 -1.15 0.00 0.00 33.47 29.86 1j3t s TRP 55 CO 0.00 -0.02 0.38 -0.59 0.02 0.00 0.00 176.95 176.74 1j3t s PHE 56 N -2.19 -0.25 0.00 -1.98 -0.12 0.38 -0.71 117.98 113.11 1j3t s PHE 56 Ca 0.53 0.33 -0.30 0.00 -0.05 0.00 0.00 56.93 57.44 1j3t s PHE 56 Cb -0.10 0.16 -0.07 0.00 -0.63 0.00 0.00 43.02 42.38 1j3t s PHE 56 CO 0.25 -0.47 1.68 -2.14 -0.05 0.00 0.00 175.22 174.49 1j3t s PRO 57 N -1.69 4.19 0.61 1.99 0.02 -1.26 -0.61 135.00 138.24 1j3t s PRO 57 Ca -0.11 2.28 0.35 0.00 0.02 0.00 0.00 61.00 63.54 1j3t s PRO 57 Cb -0.03 -3.85 2.01 0.00 0.02 0.00 0.00 34.50 32.65 1j3t s PRO 57 CO 0.03 -0.81 2.29 1.57 -0.33 0.00 0.00 177.00 179.75 1j3t h LYS 58 N 9.16 0.00 0.00 5.54 2.10 -1.11 -2.39 116.57 129.87 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 1.19 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1j3t h LYS 58 CO 0.94 0.01 -0.01 0.66 -2.00 0.00 0.00 179.45 179.05 1j3t h SER 59 N 0.00 0.00 0.20 7.07 4.64 -1.90 -0.90 113.55 122.66 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 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1j3t h SER 59 CO 0.00 0.01 -0.00 -1.22 -0.87 0.00 0.00 176.83 174.75 1j3t n TYR 60 N -3.15 0.00 -4.43 4.77 4.02 -0.90 -4.89 117.16 112.58 1j3t n TYR 60 Ca -0.02 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.65 1j3t n TYR 60 Cb 0.15 -0.10 -0.09 0.00 -0.02 0.00 0.00 39.34 39.28 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 -2.20 0.53 -0.03 -0.72 -7.23 -0.34 -0.04 120.40 110.36 1j3t s VAL 61 Ca 0.41 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.60 1j3t s VAL 61 Cb 0.21 -2.47 0.01 0.00 0.56 0.00 0.00 36.38 34.70 1j3t s VAL 61 CO 0.40 0.00 -0.06 -1.59 -0.31 0.00 0.00 175.10 173.54 1j3t s LYS 62 N -3.75 0.82 0.70 4.82 -2.85 0.31 -4.80 119.74 114.98 1j3t s LYS 62 Ca 0.31 -0.20 -0.16 0.00 -1.00 0.00 0.00 55.97 54.92 1j3t s LYS 62 Cb 0.04 -0.79 0.02 0.00 -2.06 0.00 0.00 37.83 35.04 1j3t s LYS 62 CO 0.17 0.03 1.21 0.42 0.10 0.00 0.00 175.35 177.27 1j3t s ILE 63 N 0.46 2.39 0.03 3.79 1.01 -1.26 -0.86 121.20 126.77 1j3t s ILE 63 Ca -0.06 0.20 0.08 0.00 0.00 0.00 0.00 60.65 60.87 1j3t s ILE 63 Cb -0.10 -2.85 -0.03 0.00 0.01 0.00 0.00 42.46 39.50 1j3t s ILE 63 CO 0.00 -0.09 -0.23 -0.63 0.00 0.00 0.00 174.94 173.99 1j3t s ILE 64 N -1.88 1.87 -0.46 2.92 1.01 -1.01 -4.80 121.20 118.84 1j3t s ILE 64 Ca 0.75 -1.23 -0.05 0.00 0.00 0.00 0.00 60.65 60.12 1j3t s ILE 64 Cb -0.30 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 1j3t s ILE 64 CO 0.42 0.32 3.01 -0.81 0.00 0.00 0.00 174.94 177.89 1j3t n PRO 65 N 1.94 2.57 -0.09 2.79 -0.04 -1.26 -4.70 135.00 136.21 1j3t n PRO 65 Ca -0.17 -2.03 0.00 0.00 -0.04 0.00 0.00 63.50 61.26 1j3t n PRO 65 Cb 0.53 -2.18 0.00 0.00 -0.04 0.00 0.00 33.50 31.80 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 1.61 -0.40 0.33 0.55 0.00 -1.26 -4.59 105.19 101.42 1j3t n GLY 66 Ca 0.50 -1.14 -0.02 0.00 0.00 0.00 0.00 46.02 45.36 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 0.83 0.00 1.61 0.87 -1.94 -3.46 113.55 111.46 1j3t h SER 67 Ca 0.00 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1j3t h SER 67 Cb 0.00 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.75 1j3t h SER 67 CO 0.00 0.71 0.00 1.21 -0.53 0.00 0.00 176.83 178.22 1j3t n GLU 68 N -4.34 0.00 -4.13 2.24 4.07 -1.26 -4.87 120.64 112.35 1j3t n GLU 68 Ca 0.06 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 57.06 1j3t n GLU 68 Cb 0.14 -3.29 -0.09 0.00 -0.06 0.00 0.00 31.44 28.14 1j3t n GLU 68 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1j3t s SER 69 N -2.62 0.19 0.00 4.31 0.15 -1.26 -5.18 113.70 109.29 1j3t s SER 69 Ca 0.00 -1.20 0.00 0.00 0.70 0.00 0.00 55.95 55.45 1j3t s SER 69 Cb 0.00 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 1j3t s SER 69 CO 0.00 -0.82 0.00 0.61 1.20 0.00 0.00 173.24 174.23 1j3t n GLY 70 N -0.19 4.31 2.29 9.45 0.00 -1.26 -4.98 105.19 114.81 1j3t n GLY 70 Ca -0.03 -1.12 -0.33 0.00 0.00 0.00 0.00 46.02 44.53 1j3t n GLY 70 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j3t n PRO 71 N -1.73 3.31 -3.83 1.61 -0.04 -1.26 -4.82 135.00 128.23 1j3t n PRO 71 Ca 0.00 -1.95 -0.09 0.00 -0.04 0.00 0.00 63.50 61.42 1j3t n PRO 71 Cb 0.00 -2.64 -0.07 0.00 -0.04 0.00 0.00 33.50 30.74 1j3t n PRO 71 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1j3t s SER 72 N 2.24 0.07 1.04 3.54 0.15 -1.26 -5.16 113.70 114.32 1j3t s SER 72 Ca 0.67 -0.57 -0.04 0.00 0.70 0.00 0.00 55.95 56.71 1j3t s SER 72 Cb 0.19 0.35 0.06 0.00 -1.71 0.00 0.00 66.02 64.91 1j3t s SER 72 CO -0.05 -0.71 0.25 -1.54 1.20 0.00 0.00 173.24 172.39 1j3t n SER 73 N 0.04 -0.92 0.00 5.45 3.41 -1.26 -5.14 113.62 115.20 1j3t n SER 73 Ca -0.16 -0.76 0.00 0.00 -0.26 0.00 0.00 58.87 57.69 1j3t n SER 73 Cb 0.62 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 1j3t n SER 73 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49