#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6j s SER 2 N 0.00 -0.32 -0.13 0.26 1.04 -1.26 -5.04 113.70 108.25 1s6j s SER 2 Ca 0.00 -0.36 0.15 0.00 0.48 0.00 0.00 55.95 56.22 1s6j s SER 2 Cb 0.00 0.57 0.41 0.00 0.10 0.00 0.00 66.02 67.10 1s6j s SER 2 CO 0.00 -1.01 1.31 -0.24 0.98 0.00 0.00 173.24 174.28 1s6j n SER 3 N -0.33 3.27 -0.02 7.02 2.88 -1.26 -4.14 113.62 121.03 1s6j n SER 3 Ca -0.12 -2.81 0.02 0.00 -1.33 0.00 0.00 58.87 54.62 1s6j n SER 3 Cb 0.63 -0.44 0.03 0.00 -0.75 0.00 0.00 64.21 63.68 1s6j n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1s6j n GLY 4 N -0.57 3.04 1.85 0.46 0.00 -1.26 -4.93 105.19 103.78 1s6j n GLY 4 Ca 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1s6j n GLY 4 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1s6j n HIS 5 N -0.65 -2.51 -2.43 1.61 -0.00 -1.26 -4.92 115.22 105.06 1s6j n HIS 5 Ca 0.03 0.15 -0.38 0.00 0.46 0.00 0.00 57.72 57.98 1s6j n HIS 5 Cb 0.35 0.78 -0.02 0.00 -0.12 0.00 0.00 29.99 30.98 1s6j n HIS 5 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1s6j s ILE 6 N -1.09 3.89 0.00 3.57 1.01 -1.26 -4.01 121.20 123.31 1s6j s ILE 6 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 60.65 59.40 1s6j s ILE 6 Cb 0.00 -4.93 0.00 0.00 0.01 0.00 0.00 42.46 37.54 1s6j s ILE 6 CO 0.00 -1.71 0.00 -0.67 0.00 0.00 0.00 174.94 172.56 1s6j n ASP 7 N 10.16 0.00 -1.00 3.58 2.03 -1.26 -4.57 116.55 125.49 1s6j n ASP 7 Ca 0.43 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.71 1s6j n ASP 7 Cb 0.48 0.23 -0.02 0.00 -0.72 0.00 0.00 41.12 41.09 1s6j n ASP 7 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1s6j n ASP 8 N -1.77 -0.57 0.00 1.67 5.75 -1.26 -4.83 116.55 115.55 1s6j n ASP 8 Ca 0.00 -1.15 0.00 0.00 -0.01 0.00 0.00 54.79 53.63 1s6j n ASP 8 Cb 0.00 0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 1s6j n ASP 8 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1s6j n ASP 9 N -0.14 0.00 0.11 -1.12 9.92 -1.26 -4.33 116.55 119.73 1s6j n ASP 9 Ca -0.14 0.00 0.12 0.00 -0.53 0.00 0.00 54.79 54.24 1s6j n ASP 9 Cb 0.52 -0.06 0.10 0.00 -0.64 0.00 0.00 41.12 41.05 1s6j n ASP 9 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1s6j h ASP 10 N 0.00 0.00 0.96 -2.24 5.19 -1.92 -3.20 116.42 115.21 1s6j h ASP 10 Ca 0.00 -0.07 -0.17 0.00 -0.62 0.00 0.00 57.03 56.17 1s6j h ASP 10 Cb 0.00 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 1s6j h ASP 10 CO 0.00 0.03 -1.11 0.11 -3.12 0.00 0.00 179.24 175.15 1s6j h LYS 11 N 0.00 0.00 0.08 3.56 1.79 -1.87 -3.27 116.57 116.87 1s6j h LYS 11 Ca 0.00 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.22 1s6j h LYS 11 Cb 0.91 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 1s6j h LYS 11 CO 0.00 0.50 -1.12 1.25 -1.08 0.00 0.00 179.45 178.99 1s6j h HIS 12 N 0.00 0.49 0.00 -1.35 2.76 -1.75 -3.22 115.15 112.08 1s6j h HIS 12 Ca -0.11 -0.32 -0.06 0.00 -2.20 0.00 0.00 60.37 57.68 1s6j h HIS 12 Cb 1.62 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 30.53 1s6j h HIS 12 CO 0.00 1.21 -0.27 1.98 -1.30 0.00 0.00 177.93 179.55 1s6j h MET 13 N 0.11 0.00 -0.34 5.26 1.85 -1.66 -2.66 114.93 117.49 1s6j h MET 13 Ca -0.11 0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 58.95 1s6j h MET 13 Cb 1.82 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.84 1s6j h MET 13 CO 0.18 0.27 0.08 0.00 -0.40 0.00 0.00 176.91 177.04 1s6j h ALA 14 N 1.73 0.44 0.00 0.39 0.00 -1.60 -1.88 119.26 118.34 1s6j h ALA 14 Ca -0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1s6j h ALA 14 Cb 0.50 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1s6j h ALA 14 CO 0.03 0.11 -0.15 0.93 0.00 0.00 0.00 179.25 180.18 1s6j h GLU 15 N 0.39 0.00 0.00 0.00 5.08 -1.58 -2.52 114.58 115.95 1s6j h GLU 15 Ca 0.11 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.32 1s6j h GLU 15 Cb 0.30 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1s6j h GLU 15 CO 0.00 0.15 -0.68 0.00 -1.00 0.00 0.00 179.01 177.48 1s6j h ARG 16 N 0.00 0.00 -6.35 2.33 2.47 -1.12 -3.42 114.38 108.29 1s6j h ARG 16 Ca -0.00 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 58.17 1s6j h ARG 16 Cb 0.59 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 28.83 1s6j h ARG 16 CO 0.02 0.68 1.00 -1.17 0.56 0.00 0.00 179.97 181.06 1s6j s LEU 17 N -6.82 3.33 -0.79 3.04 2.96 -0.75 -4.96 118.68 114.69 1s6j s LEU 17 Ca 0.01 -0.33 -0.25 0.00 -0.22 0.00 0.00 54.13 53.34 1s6j s LEU 17 Cb 0.10 -2.72 0.05 0.00 0.50 0.00 0.00 46.19 44.12 1s6j s LEU 17 CO 0.77 -1.71 1.23 -0.44 -1.32 0.00 0.00 176.35 174.88 1s6j s SER 18 N 3.51 6.26 0.24 3.68 0.01 -1.26 -4.81 113.70 121.32 1s6j s SER 18 Ca 0.36 -0.86 0.24 0.00 1.31 0.00 0.00 55.95 57.00 1s6j s SER 18 Cb -0.08 -2.52 0.33 0.00 0.21 0.00 0.00 66.02 63.95 1s6j s SER 18 CO 0.18 -1.64 1.40 -0.08 0.41 0.00 0.00 173.24 173.50 1s6j h GLU 19 N 9.81 0.00 0.00 12.44 4.57 -1.93 -3.27 114.58 136.21 1s6j h GLU 19 Ca -0.16 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 1s6j h GLU 19 Cb 1.05 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.64 1s6j h GLU 19 CO 1.28 0.00 0.00 -1.91 -1.18 0.00 0.00 179.01 177.20 1s6j n GLU 20 N -2.56 0.21 -0.20 1.92 4.07 -1.26 -3.63 120.64 119.19 1s6j n GLU 20 Ca 0.03 0.30 0.01 0.00 -0.06 0.00 0.00 57.16 57.44 1s6j n GLU 20 Cb 0.49 -1.81 0.11 0.00 -0.06 0.00 0.00 31.44 30.17 1s6j n GLU 20 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1s6j h GLU 21 N 0.00 0.28 0.00 5.31 4.39 -1.98 0.35 114.58 122.93 1s6j h GLU 21 Ca 0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1s6j h GLU 21 Cb 0.54 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1s6j h GLU 21 CO 0.00 0.18 0.00 1.51 -1.16 0.00 0.00 179.01 179.54 1s6j n ILE 22 N -5.10 1.38 0.00 3.13 3.06 -1.24 -3.12 119.36 117.47 1s6j n ILE 22 Ca 0.09 0.59 0.00 0.00 -2.50 0.00 0.00 62.75 60.93 1s6j n ILE 22 Cb 0.32 -1.57 0.00 0.00 0.54 0.00 0.00 39.64 38.92 1s6j n ILE 22 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1s6j n GLY 23 N -1.22 -0.12 0.00 4.50 0.00 0.12 -2.84 105.19 105.63 1s6j n GLY 23 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1s6j n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s6j n GLY 24 N -1.00 -0.16 0.51 -0.02 0.00 -1.18 -3.49 105.19 99.85 1s6j n GLY 24 Ca 0.00 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.30 1s6j n GLY 24 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1s6j n LEU 25 N -1.10 0.00 0.21 0.99 -0.00 -1.13 -1.26 117.00 114.72 1s6j n LEU 25 Ca 0.00 0.72 0.07 0.00 -0.00 0.00 0.00 56.01 56.80 1s6j n LEU 25 Cb 0.04 -0.26 0.37 0.00 -0.00 0.00 0.00 43.42 43.57 1s6j n LEU 25 CO 0.00 -0.72 0.88 0.11 -0.00 0.00 0.00 177.39 177.66 1s6j h LYS 26 N 0.00 0.00 0.00 1.47 1.57 -1.91 -0.68 116.57 117.02 1s6j h LYS 26 Ca 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 1s6j h LYS 26 Cb 2.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 35.09 1s6j h LYS 26 CO -0.01 0.00 -0.03 0.93 -0.57 0.00 0.00 179.45 179.77 1s6j h GLU 27 N 0.00 0.00 0.01 3.15 4.39 -1.53 -3.41 114.58 117.20 1s6j h GLU 27 Ca 0.00 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.44 1s6j h GLU 27 Cb 0.87 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.48 1s6j h GLU 27 CO 0.00 0.00 -1.41 1.28 -1.16 0.00 0.00 179.01 177.72 1s6j n LEU 28 N -2.53 1.95 -0.27 1.33 7.99 -1.10 -4.11 117.00 120.26 1s6j n LEU 28 Ca -0.00 0.39 -0.02 0.00 -0.01 0.00 0.00 56.01 56.37 1s6j n LEU 28 Cb 0.02 -0.98 0.04 0.00 -0.11 0.00 0.00 43.42 42.39 1s6j n LEU 28 CO 0.01 0.35 0.63 0.15 -1.51 0.00 0.00 177.39 177.03 1s6j h PHE 29 N -0.88 -0.85 0.00 -1.77 3.57 -1.43 0.49 116.94 116.06 1s6j h PHE 29 Ca -0.38 0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.20 1s6j h PHE 29 Cb 1.40 0.49 -0.00 0.00 2.79 0.00 0.00 35.95 40.63 1s6j h PHE 29 CO 0.09 -0.38 -0.04 0.87 -2.23 0.00 0.00 178.31 176.61 1s6j h LYS 30 N -0.08 0.00 0.00 1.11 1.57 -1.77 0.22 116.57 117.62 1s6j h LYS 30 Ca 0.30 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.93 1s6j h LYS 30 Cb 0.57 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1s6j h LYS 30 CO -0.80 0.04 -0.78 1.98 -0.57 0.00 0.00 179.45 179.32 1s6j h MET 31 N 0.00 0.00 0.00 3.15 4.05 -0.27 -3.31 114.93 118.55 1s6j h MET 31 Ca -0.00 0.00 -0.27 0.00 -0.28 0.00 0.00 59.70 59.15 1s6j h MET 31 Cb 0.45 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.21 1s6j h MET 31 CO 0.01 0.63 -1.82 1.51 0.23 0.00 0.00 176.91 177.46 1s6j n ILE 32 N -3.22 1.38 -1.66 1.77 0.13 -0.11 -4.89 119.36 112.76 1s6j n ILE 32 Ca -0.00 -0.77 -0.43 0.00 -1.10 0.00 0.00 62.75 60.44 1s6j n ILE 32 Cb 0.82 -0.77 -0.03 0.00 -0.84 0.00 0.00 39.64 38.81 1s6j n ILE 32 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 1s6j n ASP 33 N -2.90 4.03 0.10 9.51 2.03 0.03 -4.81 116.55 124.54 1s6j n ASP 33 Ca -0.19 0.88 0.06 0.00 0.52 0.00 0.00 54.79 56.07 1s6j n ASP 33 Cb 1.01 -1.50 0.34 0.00 -0.72 0.00 0.00 41.12 40.24 1s6j n ASP 33 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1s6j n THR 34 N 5.58 1.41 -0.02 5.18 -1.04 -1.26 -0.61 114.28 123.52 1s6j n THR 34 Ca 0.21 0.64 0.04 0.00 -2.04 0.00 0.00 64.05 62.90 1s6j n THR 34 Cb 0.39 -1.64 -0.12 0.00 -1.82 0.00 0.00 70.33 67.14 1s6j n THR 34 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1s6j n ASP 35 N -1.94 1.34 -0.48 8.00 2.03 -1.26 -4.96 116.55 119.29 1s6j n ASP 35 Ca -0.01 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.25 1s6j n ASP 35 Cb 0.03 1.51 -0.02 0.00 -0.72 0.00 0.00 41.12 41.92 1s6j n ASP 35 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1s6j n ASN 36 N -2.18 -4.69 0.22 1.67 5.15 0.22 -4.74 115.26 110.90 1s6j n ASN 36 Ca -0.08 0.13 0.13 0.00 -0.60 0.00 0.00 54.58 54.16 1s6j n ASN 36 Cb 0.56 -3.26 0.29 0.00 -0.53 0.00 0.00 39.78 36.84 1s6j n ASN 36 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1s6j h SER 37 N 0.00 0.00 0.00 1.20 4.64 -1.85 -3.47 113.55 114.07 1s6j h SER 37 Ca -0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1s6j h SER 37 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1s6j h SER 37 CO 0.16 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.73 1s6j n GLY 38 N 0.91 0.97 3.00 -0.77 0.00 -1.26 -5.09 105.19 102.94 1s6j n GLY 38 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 1s6j n GLY 38 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s6j s THR 39 N -2.00 -0.03 -0.19 2.61 -4.23 -1.26 -4.89 115.64 105.65 1s6j s THR 39 Ca 0.00 0.12 -0.07 0.00 -1.18 0.00 0.00 61.69 60.56 1s6j s THR 39 Cb 0.00 -0.28 -0.04 0.00 1.34 0.00 0.00 72.50 73.52 1s6j s THR 39 CO 0.00 0.05 0.05 -0.63 -0.54 0.00 0.00 174.62 173.55 1s6j s ILE 40 N 0.90 4.61 0.34 2.99 1.01 -1.02 -4.79 121.20 125.23 1s6j s ILE 40 Ca -0.07 -0.10 0.07 0.00 0.00 0.00 0.00 60.65 60.56 1s6j s ILE 40 Cb -0.08 -3.08 -0.02 0.00 0.01 0.00 0.00 42.46 39.28 1s6j s ILE 40 CO -0.05 0.44 0.34 0.28 0.00 0.00 0.00 174.94 175.96 1s6j s THR 41 N 0.57 3.57 0.17 2.92 -1.32 -1.26 -0.31 115.64 119.97 1s6j s THR 41 Ca 0.02 -1.28 -0.25 0.00 -1.21 0.00 0.00 61.69 58.98 1s6j s THR 41 Cb -0.13 -3.21 0.02 0.00 -1.51 0.00 0.00 72.50 67.67 1s6j s THR 41 CO 0.01 -0.15 1.42 0.33 -2.21 0.00 0.00 174.62 174.02 1s6j n PHE 42 N -1.45 -0.27 -0.30 9.09 7.35 -1.26 0.24 117.46 130.87 1s6j n PHE 42 Ca -0.01 1.14 0.14 0.00 -0.76 0.00 0.00 57.45 57.96 1s6j n PHE 42 Cb 0.60 -0.66 0.38 0.00 0.35 0.00 0.00 39.48 40.15 1s6j n PHE 42 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1s6j h ASP 43 N 0.00 0.66 0.74 -2.13 1.82 -1.95 0.32 116.42 115.88 1s6j h ASP 43 Ca 0.20 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.90 1s6j h ASP 43 Cb 0.43 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.37 1s6j h ASP 43 CO -0.88 0.29 -0.63 -0.62 -1.61 0.00 0.00 179.24 175.80 1s6j n GLU 44 N -4.61 0.22 0.08 0.28 1.02 0.23 -4.16 120.64 113.70 1s6j n GLU 44 Ca 0.20 0.06 -0.12 0.00 -0.02 0.00 0.00 57.16 57.27 1s6j n GLU 44 Cb 0.54 -1.63 -0.08 0.00 -0.02 0.00 0.00 31.44 30.25 1s6j n GLU 44 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1s6j h LEU 45 N 0.00 -0.20 -2.56 -4.62 5.85 0.71 -3.07 115.31 111.42 1s6j h LEU 45 Ca 0.00 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.41 1s6j h LEU 45 Cb 0.69 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.77 1s6j h LEU 45 CO 0.00 0.26 0.14 0.07 -0.34 0.00 0.00 178.44 178.57 1s6j h LYS 46 N -0.71 0.00 0.00 1.25 2.10 -1.57 0.64 116.57 118.28 1s6j h LYS 46 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1s6j h LYS 46 Cb 0.50 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 1s6j h LYS 46 CO 0.04 0.00 0.00 0.22 -2.00 0.00 0.00 179.45 177.71 1s6j h ASP 47 N 0.00 0.00 0.08 7.07 1.82 -1.70 0.55 116.42 124.24 1s6j h ASP 47 Ca 0.01 0.00 -0.34 0.00 -0.39 0.00 0.00 57.03 56.31 1s6j h ASP 47 Cb 0.28 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.26 1s6j h ASP 47 CO -0.00 0.00 -1.92 0.61 -1.61 0.00 0.00 179.24 176.32 1s6j n GLY 48 N -0.55 -0.59 0.25 -0.78 0.00 0.21 -2.18 105.19 101.56 1s6j n GLY 48 Ca -0.00 -0.17 0.15 0.00 0.00 0.00 0.00 46.02 45.99 1s6j n GLY 48 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1s6j h LEU 49 N -0.24 0.00 0.15 0.99 3.38 -1.47 -2.67 115.31 115.45 1s6j h LEU 49 Ca -0.44 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.20 1s6j h LEU 49 Cb 1.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.58 1s6j h LEU 49 CO -0.03 0.02 -1.69 0.50 0.09 0.00 0.00 178.44 177.34 1s6j h LYS 50 N 0.00 0.32 -0.78 1.13 3.64 -0.03 -3.13 116.57 117.72 1s6j h LYS 50 Ca -0.00 -0.55 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 1s6j h LYS 50 Cb 0.70 0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 32.69 1s6j h LYS 50 CO 0.00 1.26 0.50 -0.09 -2.27 0.00 0.00 179.45 178.85 1s6j h ARG 51 N -0.04 1.04 0.00 1.90 1.12 -1.35 -1.64 114.38 115.41 1s6j h ARG 51 Ca -0.35 -0.07 -0.03 0.00 -1.11 0.00 0.00 59.98 58.42 1s6j h ARG 51 Cb 1.97 -0.23 -0.00 0.00 -0.01 0.00 0.00 29.97 31.70 1s6j h ARG 51 CO 0.12 0.71 -0.15 -0.39 -3.11 0.00 0.00 179.97 177.15 1s6j h VAL 52 N 1.07 0.62 -0.54 0.20 -1.51 -1.62 -3.47 116.25 111.00 1s6j h VAL 52 Ca 0.28 -0.65 0.00 0.00 -1.23 0.00 0.00 66.70 65.11 1s6j h VAL 52 Cb -0.09 1.41 0.00 0.00 -2.13 0.00 0.00 31.29 30.48 1s6j h VAL 52 CO -0.06 0.14 0.00 0.61 -1.23 0.00 0.00 177.57 177.04 1s6j n GLY 53 N -0.59 0.52 3.17 5.19 0.00 -0.62 -5.09 105.19 107.78 1s6j n GLY 53 Ca -0.02 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 1s6j n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s6j s SER 54 N -1.62 3.70 -0.12 1.61 1.04 -1.18 -4.98 113.70 112.15 1s6j s SER 54 Ca 0.00 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.74 1s6j s SER 54 Cb 0.00 -1.58 0.14 0.00 0.10 0.00 0.00 66.02 64.68 1s6j s SER 54 CO 0.00 -0.04 1.46 -0.62 0.98 0.00 0.00 173.24 175.02 1s6j n GLU 55 N 4.65 1.32 -0.28 4.02 -0.58 -1.26 -4.72 120.64 123.80 1s6j n GLU 55 Ca -0.19 -0.72 -0.31 0.00 -0.42 0.00 0.00 57.16 55.53 1s6j n GLU 55 Cb 0.49 -1.28 0.30 0.00 -0.57 0.00 0.00 31.44 30.37 1s6j n GLU 55 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1s6j s LEU 56 N -0.80 -1.44 -0.08 -4.62 1.43 -1.26 -4.94 118.68 106.96 1s6j s LEU 56 Ca 0.14 0.85 -0.27 0.00 -1.03 0.00 0.00 54.13 53.82 1s6j s LEU 56 Cb 0.11 -2.21 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 1s6j s LEU 56 CO 0.02 -5.59 0.87 0.00 0.23 0.00 0.00 176.35 171.88 1s6j s MET 57 N -5.07 4.43 0.01 1.70 0.23 -1.26 -4.89 119.30 114.45 1s6j s MET 57 Ca 0.68 1.17 0.01 0.00 -1.03 0.00 0.00 55.69 56.52 1s6j s MET 57 Cb -0.13 -3.50 0.04 0.00 -1.53 0.00 0.00 34.83 29.71 1s6j s MET 57 CO 0.58 -0.15 0.95 -0.85 -2.03 0.00 0.00 175.02 173.51 1s6j n GLU 58 N 4.45 0.00 -0.01 3.16 -0.00 -1.26 -0.74 120.64 126.25 1s6j n GLU 58 Ca 0.04 0.43 -0.18 0.00 -0.00 0.00 0.00 57.16 57.46 1s6j n GLU 58 Cb 0.50 -1.59 -0.08 0.00 -0.00 0.00 0.00 31.44 30.26 1s6j n GLU 58 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 1s6j h SER 59 N 0.00 0.83 0.19 -1.84 0.02 -2.00 -2.85 113.55 107.90 1s6j h SER 59 Ca 0.00 -0.66 0.00 0.00 -0.84 0.00 0.00 61.79 60.29 1s6j h SER 59 Cb 0.16 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.45 1s6j h SER 59 CO 0.00 1.36 0.00 -0.08 -1.14 0.00 0.00 176.83 176.97 1s6j h GLU 60 N 0.36 0.00 0.04 3.45 4.57 -1.33 -0.33 114.58 121.34 1s6j h GLU 60 Ca -0.06 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 57.80 1s6j h GLU 60 Cb 1.39 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.94 1s6j h GLU 60 CO 0.15 0.00 -1.76 0.82 -1.18 0.00 0.00 179.01 177.04 1s6j h ILE 61 N 0.00 0.82 0.06 2.32 2.04 -1.59 -3.15 117.51 118.02 1s6j h ILE 61 Ca 0.00 -2.62 -0.29 0.00 1.00 0.00 0.00 64.86 62.95 1s6j h ILE 61 Cb 0.09 2.48 -0.02 0.00 -0.74 0.00 0.00 36.82 38.63 1s6j h ILE 61 CO 0.00 0.64 -1.53 0.07 0.00 0.00 0.00 178.15 177.32 1s6j h LYS 62 N 0.03 0.14 0.00 2.37 5.09 -1.10 -2.90 116.57 120.19 1s6j h LYS 62 Ca -0.31 -0.23 0.00 0.00 0.09 0.00 0.00 60.65 60.19 1s6j h LYS 62 Cb 2.01 0.09 0.00 0.00 0.10 0.00 0.00 32.23 34.43 1s6j h LYS 62 CO 0.09 0.92 -0.24 0.38 -2.09 0.00 0.00 179.45 178.51 1s6j h ASP 63 N 0.04 0.00 0.51 7.07 3.04 -1.29 -3.03 116.42 122.76 1s6j h ASP 63 Ca -0.23 -0.03 -0.29 0.00 -3.24 0.00 0.00 57.03 53.24 1s6j h ASP 63 Cb 1.98 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 40.23 1s6j h ASP 63 CO 0.13 0.01 -1.59 0.25 -2.04 0.00 0.00 179.24 176.00 1s6j h LEU 64 N 0.00 0.16 -0.45 0.15 5.85 -1.65 -3.17 115.31 116.20 1s6j h LEU 64 Ca 0.00 -0.27 -0.18 0.00 0.84 0.00 0.00 57.88 58.27 1s6j h LEU 64 Cb 0.89 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 1s6j h LEU 64 CO 0.00 1.24 -0.71 -0.03 -0.34 0.00 0.00 178.44 178.59 1s6j h MET 65 N 0.03 0.33 -0.02 1.25 4.05 -1.55 -1.88 114.93 117.13 1s6j h MET 65 Ca -0.25 -0.27 -0.18 0.00 -0.28 0.00 0.00 59.70 58.72 1s6j h MET 65 Cb 1.98 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 32.82 1s6j h MET 65 CO 0.11 0.91 -0.78 0.22 0.23 0.00 0.00 176.91 177.60 1s6j h ASP 66 N 0.23 0.26 1.12 1.39 3.58 -1.66 -1.60 116.42 119.74 1s6j h ASP 66 Ca -0.03 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.24 1s6j h ASP 66 Cb 1.28 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.25 1s6j h ASP 66 CO 0.12 0.94 -0.34 0.00 -2.88 0.00 0.00 179.24 177.08 1s6j n ALA 67 N -2.46 2.65 0.00 -0.78 0.00 -1.20 -3.68 120.51 115.05 1s6j n ALA 67 Ca -0.03 -0.15 0.11 0.00 0.00 0.00 0.00 53.44 53.37 1s6j n ALA 67 Cb 0.74 -1.30 -0.15 0.00 0.00 0.00 0.00 19.45 18.74 1s6j n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s6j n ALA 68 N -1.79 2.76 -3.88 0.00 0.00 -0.71 -4.72 120.51 112.16 1s6j n ALA 68 Ca 0.04 -0.49 -0.32 0.00 0.00 0.00 0.00 53.44 52.67 1s6j n ALA 68 Cb 0.43 -0.79 -0.13 0.00 0.00 0.00 0.00 19.45 18.97 1s6j n ALA 68 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1s6j s ASP 69 N -4.63 4.58 0.31 0.00 2.15 -0.61 -3.64 116.67 114.83 1s6j s ASP 69 Ca -0.07 -3.02 0.21 0.00 0.43 0.00 0.00 52.55 50.10 1s6j s ASP 69 Cb 0.13 -1.70 0.15 0.00 -0.30 0.00 0.00 42.92 41.21 1s6j s ASP 69 CO 0.89 -0.26 1.35 0.40 -0.17 0.00 0.00 175.17 177.39 1s6j h ILE 70 N 5.38 0.19 0.00 4.11 5.03 -1.85 -3.27 117.51 127.10 1s6j h ILE 70 Ca -0.05 -1.30 0.00 0.00 -0.12 0.00 0.00 64.86 63.39 1s6j h ILE 70 Cb 0.90 1.93 0.00 0.00 -3.03 0.00 0.00 36.82 36.62 1s6j h ILE 70 CO 0.70 0.11 0.07 -0.78 -0.68 0.00 0.00 178.15 177.57 1s6j h ASP 71 N 0.00 0.00 -0.22 1.72 3.58 -1.92 -3.44 116.42 116.14 1s6j h ASP 71 Ca -0.02 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.34 1s6j h ASP 71 Cb 1.12 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.13 1s6j h ASP 71 CO 0.02 0.00 -0.08 0.29 -2.88 0.00 0.00 179.24 176.58 1s6j n LYS 72 N -2.76 -1.59 0.00 0.28 4.76 -1.23 -4.80 118.16 112.81 1s6j n LYS 72 Ca -0.02 0.61 0.11 0.00 -2.87 0.00 0.00 58.31 56.13 1s6j n LYS 72 Cb 0.12 -4.88 0.60 0.00 -1.84 0.00 0.00 35.03 29.04 1s6j n LYS 72 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1s6j n SER 73 N -0.86 0.00 0.00 4.39 7.64 -1.26 -4.86 113.62 118.67 1s6j n SER 73 Ca -0.05 -0.30 0.00 0.00 1.01 0.00 0.00 58.87 59.53 1s6j n SER 73 Cb 0.47 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 1s6j n SER 73 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s6j n GLY 74 N 0.52 2.83 3.38 0.23 0.00 -1.26 -4.96 105.19 105.93 1s6j n GLY 74 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1s6j n GLY 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s6j s THR 75 N -1.10 2.46 -0.06 2.61 -4.23 -1.26 -4.04 115.64 110.03 1s6j s THR 75 Ca 0.00 -1.06 -0.09 0.00 -1.18 0.00 0.00 61.69 59.36 1s6j s THR 75 Cb 0.00 -1.93 -0.05 0.00 1.34 0.00 0.00 72.50 71.86 1s6j s THR 75 CO 0.00 0.51 0.24 -0.51 -0.54 0.00 0.00 174.62 174.33 1s6j s ILE 76 N -0.72 5.33 0.08 2.99 2.07 0.57 -4.88 121.20 126.64 1s6j s ILE 76 Ca 0.11 0.37 0.03 0.00 -1.41 0.00 0.00 60.65 59.75 1s6j s ILE 76 Cb -0.10 -3.52 -0.03 0.00 0.13 0.00 0.00 42.46 38.93 1s6j s ILE 76 CO 0.01 0.55 -0.08 1.51 -1.91 0.00 0.00 174.94 175.01 1s6j s ASP 77 N -1.21 1.14 0.35 4.50 -4.77 -1.26 -2.44 116.67 112.98 1s6j s ASP 77 Ca 0.20 -0.78 0.17 0.00 -3.30 0.00 0.00 52.55 48.84 1s6j s ASP 77 Cb -0.14 0.05 1.19 0.00 -1.09 0.00 0.00 42.92 42.93 1s6j s ASP 77 CO 0.09 -0.30 1.62 1.88 0.70 0.00 0.00 175.17 179.16 1s6j h TYR 78 N 3.71 0.83 -0.63 2.11 -1.99 -1.95 0.13 116.97 119.17 1s6j h TYR 78 Ca -0.36 0.04 0.13 0.00 2.00 0.00 0.00 58.73 60.53 1s6j h TYR 78 Cb 1.19 -0.19 -0.09 0.00 2.00 0.00 0.00 36.73 39.63 1s6j h TYR 78 CO 0.62 -0.34 0.11 0.78 -0.00 0.00 0.00 178.16 179.34 1s6j h GLY 79 N 0.15 0.80 0.00 3.88 0.00 -1.96 -1.28 103.07 104.65 1s6j h GLY 79 Ca 0.78 -0.01 -0.12 0.00 0.00 0.00 0.00 47.33 47.98 1s6j h GLY 79 CO -0.70 -0.15 -0.83 1.05 0.00 0.00 0.00 176.54 175.91 1s6j h GLU 80 N 0.23 0.00 -1.20 4.80 4.11 -1.18 -3.38 114.58 117.95 1s6j h GLU 80 Ca 0.34 0.00 0.41 0.00 0.07 0.00 0.00 59.36 60.18 1s6j h GLU 80 Cb 0.53 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.64 1s6j h GLU 80 CO -0.45 0.60 0.74 0.35 0.07 0.00 0.00 179.01 180.32 1s6j h PHE 81 N -1.00 0.65 -0.87 2.06 3.57 -0.95 0.27 116.94 120.66 1s6j h PHE 81 Ca -0.18 0.03 0.17 0.00 3.53 0.00 0.00 57.97 61.52 1s6j h PHE 81 Cb 0.93 -0.16 -0.10 0.00 2.79 0.00 0.00 35.95 39.40 1s6j h PHE 81 CO -0.00 -0.24 0.44 0.97 -2.23 0.00 0.00 178.31 177.24 1s6j h ILE 82 N 0.12 0.65 -0.96 1.41 -0.00 -1.41 0.76 117.51 118.07 1s6j h ILE 82 Ca 0.81 -0.19 0.19 0.00 -0.00 0.00 0.00 64.86 65.67 1s6j h ILE 82 Cb 2.34 0.04 -0.09 0.00 -0.00 0.00 0.00 36.82 39.11 1s6j h ILE 82 CO -0.51 0.10 0.61 0.00 -0.00 0.00 0.00 178.15 178.35 1s6j h ALA 83 N 1.61 1.92 -1.84 0.18 0.00 -0.69 -3.38 119.26 117.07 1s6j h ALA 83 Ca 0.50 0.05 -0.57 0.00 0.00 0.00 0.00 54.91 54.89 1s6j h ALA 83 Cb 0.80 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1s6j h ALA 83 CO -0.41 -0.25 1.03 0.00 0.00 0.00 0.00 179.25 179.62 1s6j s ALA 84 N -5.66 3.15 -0.48 0.00 0.00 0.26 -4.97 121.76 114.07 1s6j s ALA 84 Ca -0.10 -0.09 -0.28 0.00 0.00 0.00 0.00 51.96 51.50 1s6j s ALA 84 Cb 0.24 -3.89 0.03 0.00 0.00 0.00 0.00 23.12 19.50 1s6j s ALA 84 CO 0.79 -2.19 1.06 0.99 0.00 0.00 0.00 175.76 176.42 1s6j s THR 85 N 5.05 4.30 0.20 0.00 2.01 -1.26 -5.01 115.64 120.92 1s6j s THR 85 Ca 0.59 1.03 -0.30 0.00 0.31 0.00 0.00 61.69 63.33 1s6j s THR 85 Cb -0.14 -4.55 -0.08 0.00 0.01 0.00 0.00 72.50 67.74 1s6j s THR 85 CO 0.30 -0.96 1.04 -0.69 -0.69 0.00 0.00 174.62 173.62 1s6j s VAL 86 N 4.21 3.95 -2.00 3.82 1.01 -1.26 -5.23 120.40 124.90 1s6j s VAL 86 Ca 0.44 1.77 0.32 0.00 0.00 0.00 0.00 61.98 64.51 1s6j s VAL 86 Cb -0.08 -4.13 0.91 0.00 0.00 0.00 0.00 36.38 33.08 1s6j s VAL 86 CO 0.30 0.34 2.23 1.41 0.00 0.00 0.00 175.10 179.38