#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 4.05 0.00 0.26 1.04 -1.26 -4.89 113.70 112.90 1s6j s SER 2 Ca 0.00 -2.89 0.14 0.00 0.48 0.00 0.00 55.95 53.68 1s6j s SER 2 Cb 0.00 -1.39 0.27 0.00 0.10 0.00 0.00 66.02 65.00 1s6j s SER 2 CO 0.00 -0.24 1.17 -0.24 0.98 0.00 0.00 173.24 174.91 1s6j n SER 3 N 3.24 2.77 -0.25 7.02 2.88 -1.26 -5.04 113.62 122.98 1s6j n SER 3 Ca 0.07 -1.83 0.00 0.00 -1.33 0.00 0.00 58.87 55.78 1s6j n SER 3 Cb 0.33 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 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 0.81 -0.13 3.57 0.46 0.00 -1.26 -5.14 105.19 103.51 1s6j n GLY 4 Ca 0.12 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 45.19 1s6j n GLY 4 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1s6j s HIS 5 N 0.00 -0.31 0.35 1.61 -3.43 -1.26 -4.91 115.29 107.33 1s6j s HIS 5 Ca 0.00 0.47 0.05 0.00 -0.80 0.00 0.00 55.06 54.78 1s6j s HIS 5 Cb 0.00 0.47 0.05 0.00 -1.43 0.00 0.00 32.58 31.68 1s6j s HIS 5 CO 0.00 -0.33 0.45 1.51 -2.00 0.00 0.00 174.74 174.37 1s6j n ILE 6 N 0.50 0.00 -0.25 -5.38 0.00 -1.26 -4.96 119.36 108.01 1s6j n ILE 6 Ca -0.08 -1.20 0.14 0.00 0.00 0.00 0.00 62.75 61.61 1s6j n ILE 6 Cb 0.59 -0.63 0.27 0.00 0.00 0.00 0.00 39.64 39.87 1s6j n ILE 6 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1s6j n ASP 7 N -2.48 -0.00 0.00 9.51 2.03 -1.26 -3.81 116.55 120.53 1s6j n ASP 7 Ca 0.08 1.25 0.00 0.00 0.52 0.00 0.00 54.79 56.64 1s6j n ASP 7 Cb 0.37 -0.49 0.00 0.00 -0.72 0.00 0.00 41.12 40.27 1s6j n ASP 7 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1s6j n ASP 8 N -4.93 0.00 0.00 1.67 2.03 -1.26 -5.08 116.55 108.98 1s6j n ASP 8 Ca 0.20 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.51 1s6j n ASP 8 Cb 0.66 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.06 1s6j n ASP 8 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1s6j n ASP 9 N 0.00 0.00 0.00 1.67 2.03 -1.25 -4.96 116.55 114.05 1s6j n ASP 9 Ca 0.00 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.42 1s6j n ASP 9 Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 1s6j n ASP 9 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1s6j n ASP 10 N -0.11 0.70 0.17 1.67 8.00 -1.26 -3.96 116.55 121.76 1s6j n ASP 10 Ca 0.00 -0.60 0.05 0.00 0.71 0.00 0.00 54.79 54.95 1s6j n ASP 10 Cb 0.00 1.11 0.21 0.00 -0.02 0.00 0.00 41.12 42.42 1s6j n ASP 10 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1s6j h LYS 11 N 0.00 0.00 0.00 -1.24 1.57 -1.94 -3.12 116.57 111.84 1s6j h LYS 11 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1s6j h LYS 11 Cb 0.64 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1s6j h LYS 11 CO 0.00 0.40 -1.22 1.58 -0.57 0.00 0.00 179.45 179.64 1s6j n HIS 12 N -3.35 0.96 0.25 -1.35 -0.00 -1.26 -3.97 115.22 106.50 1s6j n HIS 12 Ca 0.01 0.30 0.16 0.00 0.46 0.00 0.00 57.72 58.64 1s6j n HIS 12 Cb 0.60 -1.01 0.86 0.00 -0.12 0.00 0.00 29.99 30.32 1s6j n HIS 12 CO 0.00 0.00 0.00 0.52 0.46 0.00 0.00 176.34 177.32 1s6j h MET 13 N 0.00 0.00 0.00 1.57 2.86 -1.67 0.96 114.93 118.65 1s6j h MET 13 Ca -0.08 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 1s6j h MET 13 Cb 1.28 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.94 1s6j h MET 13 CO 0.02 0.00 -0.12 0.00 1.06 0.00 0.00 176.91 177.87 1s6j h ALA 14 N 1.90 1.57 -0.28 6.32 0.00 -1.69 -3.02 119.26 124.06 1s6j h ALA 14 Ca 0.04 -0.11 -0.24 0.00 0.00 0.00 0.00 54.91 54.60 1s6j h ALA 14 Cb 0.22 -0.02 -0.35 0.00 0.00 0.00 0.00 17.79 17.64 1s6j h ALA 14 CO -0.00 0.15 -0.97 0.39 0.00 0.00 0.00 179.25 178.82 1s6j n GLU 15 N -4.06 1.42 0.13 0.00 -0.58 0.02 -4.84 120.64 112.74 1s6j n GLU 15 Ca -0.02 -3.08 0.12 0.00 -0.42 0.00 0.00 57.16 53.75 1s6j n GLU 15 Cb 0.20 -1.18 0.50 0.00 -0.57 0.00 0.00 31.44 30.39 1s6j n GLU 15 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1s6j n ARG 16 N -0.32 0.20 -1.72 3.49 1.85 0.12 -4.78 116.66 115.51 1s6j n ARG 16 Ca 0.14 0.43 -0.43 0.00 -1.00 0.00 0.00 57.85 56.99 1s6j n ARG 16 Cb 0.93 -1.88 -0.03 0.00 -1.05 0.00 0.00 32.46 30.43 1s6j n ARG 16 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 1s6j n LEU 17 N -2.26 3.95 -3.96 2.89 -0.00 -1.26 -4.96 117.00 111.40 1s6j n LEU 17 Ca 0.02 1.09 -0.30 0.00 -0.00 0.00 0.00 56.01 56.82 1s6j n LEU 17 Cb 0.23 -1.56 -0.14 0.00 -0.00 0.00 0.00 43.42 41.96 1s6j n LEU 17 CO 0.20 0.09 -0.18 -0.44 -0.00 0.00 0.00 177.39 177.07 1s6j s SER 18 N 0.93 4.38 0.00 1.96 0.01 -1.26 -4.90 113.70 114.82 1s6j s SER 18 Ca 0.72 -2.97 0.27 0.00 1.31 0.00 0.00 55.95 55.29 1s6j s SER 18 Cb -0.53 -1.65 0.92 0.00 0.21 0.00 0.00 66.02 64.97 1s6j s SER 18 CO 0.38 -0.24 1.69 -0.62 0.41 0.00 0.00 173.24 174.85 1s6j n GLU 19 N 3.18 0.19 0.21 12.44 1.02 -1.26 -3.52 120.64 132.89 1s6j n GLU 19 Ca 0.05 -0.07 0.15 0.00 -0.02 0.00 0.00 57.16 57.26 1s6j n GLU 19 Cb 0.33 -1.50 0.61 0.00 -0.02 0.00 0.00 31.44 30.86 1s6j n GLU 19 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1s6j h GLU 20 N 0.18 0.00 0.00 3.49 5.08 -1.91 -2.59 114.58 118.83 1s6j h GLU 20 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1s6j h GLU 20 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1s6j h GLU 20 CO 0.00 0.00 0.00 -1.91 -1.00 0.00 0.00 179.01 176.10 1s6j n GLU 21 N -2.65 0.00 0.08 2.33 2.13 -1.24 -0.52 120.64 120.77 1s6j n GLU 21 Ca 0.01 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.95 1s6j n GLU 21 Cb 0.26 -0.00 0.46 0.00 0.27 0.00 0.00 31.44 32.42 1s6j n GLU 21 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 1s6j n ILE 22 N -2.47 0.61 1.14 6.31 3.06 -1.23 -2.96 119.36 123.82 1s6j n ILE 22 Ca 0.00 -0.01 0.12 0.00 -2.50 0.00 0.00 62.75 60.37 1s6j n ILE 22 Cb 0.00 -0.80 0.21 0.00 0.54 0.00 0.00 39.64 39.59 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 0.77 -0.34 0.10 4.50 0.00 -1.01 -4.29 105.19 104.93 1s6j n GLY 23 Ca 0.05 -0.51 -0.17 0.00 0.00 0.00 0.00 46.02 45.39 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 1.38 -0.68 0.00 -0.02 0.00 -1.01 -4.33 105.19 100.53 1s6j n GLY 24 Ca 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -4.43 0.00 0.03 0.99 -0.00 -1.24 -2.85 117.00 109.50 1s6j n LEU 25 Ca -0.28 0.47 -0.02 0.00 -0.00 0.00 0.00 56.01 56.19 1s6j n LEU 25 Cb 0.60 -0.47 -0.01 0.00 -0.00 0.00 0.00 43.42 43.54 1s6j n LEU 25 CO 0.13 -0.47 0.16 0.50 -0.00 0.00 0.00 177.39 177.71 1s6j h LYS 26 N 0.00 -0.10 0.00 1.47 3.64 -1.75 -3.14 116.57 116.68 1s6j h LYS 26 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1s6j h LYS 26 Cb 0.02 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1s6j h LYS 26 CO 0.00 -0.07 -0.11 1.49 -2.27 0.00 0.00 179.45 178.49 1s6j h GLU 27 N -0.28 0.00 -0.33 1.90 4.81 -1.76 -3.33 114.58 115.59 1s6j h GLU 27 Ca -0.01 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1s6j h GLU 27 Cb 0.08 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.39 1s6j h GLU 27 CO 0.02 0.00 -0.52 -0.07 -0.73 0.00 0.00 179.01 177.71 1s6j h LEU 28 N -0.24 -1.71 0.74 1.64 -0.00 -1.83 -1.45 115.31 112.46 1s6j h LEU 28 Ca 0.00 0.22 -0.04 0.00 -0.00 0.00 0.00 57.88 58.06 1s6j h LEU 28 Cb 0.11 0.69 0.01 0.00 -0.00 0.00 0.00 40.66 41.48 1s6j h LEU 28 CO 0.00 -0.39 -0.36 -0.26 -0.00 0.00 0.00 178.44 177.43 1s6j h PHE 29 N -0.40 -0.93 -0.89 1.13 -1.00 -1.72 0.22 116.94 113.35 1s6j h PHE 29 Ca 0.06 -0.02 0.26 0.00 2.81 0.00 0.00 57.97 61.08 1s6j h PHE 29 Cb 0.57 0.31 -0.04 0.00 3.61 0.00 0.00 35.95 40.40 1s6j h PHE 29 CO -0.69 -0.58 0.92 0.87 -1.61 0.00 0.00 178.31 177.22 1s6j h LYS 30 N -1.04 0.00 0.08 1.51 1.57 -1.52 1.41 116.57 118.58 1s6j h LYS 30 Ca -0.10 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.35 1s6j h LYS 30 Cb 0.76 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.05 1s6j h LYS 30 CO 0.17 0.00 -1.85 1.98 -0.57 0.00 0.00 179.45 179.18 1s6j h MET 31 N 0.00 0.17 0.00 3.15 4.05 -0.91 -3.43 114.93 117.95 1s6j h MET 31 Ca 0.42 -0.28 0.00 0.00 -0.28 0.00 0.00 59.70 59.56 1s6j h MET 31 Cb 2.25 0.11 0.00 0.00 -0.80 0.00 0.00 31.60 33.16 1s6j h MET 31 CO -0.00 0.94 -0.30 -0.89 0.23 0.00 0.00 176.91 176.88 1s6j n ILE 32 N -3.32 0.62 -1.35 1.77 5.41 0.23 -4.89 119.36 117.83 1s6j n ILE 32 Ca -0.25 0.37 -0.56 0.00 1.00 0.00 0.00 62.75 63.31 1s6j n ILE 32 Cb 1.05 -1.88 -0.10 0.00 -0.71 0.00 0.00 39.64 38.00 1s6j n ILE 32 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1s6j n ASP 33 N -3.30 1.38 0.00 4.38 2.03 0.42 -4.73 116.55 116.73 1s6j n ASP 33 Ca -0.04 0.59 0.01 0.00 0.52 0.00 0.00 54.79 55.87 1s6j n ASP 33 Cb 0.16 -1.06 0.06 0.00 -0.72 0.00 0.00 41.12 39.56 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 6.70 1.77 -0.03 5.18 -1.04 -1.26 -0.66 114.28 124.94 1s6j n THR 34 Ca 0.48 0.44 0.04 0.00 -2.04 0.00 0.00 64.05 62.97 1s6j n THR 34 Cb 0.08 -1.39 -0.15 0.00 -1.82 0.00 0.00 70.33 67.04 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 -1.49 0.10 -1.31 8.00 2.03 -1.26 -4.95 116.55 117.66 1s6j n ASP 35 Ca 0.01 0.04 -0.13 0.00 0.52 0.00 0.00 54.79 55.23 1s6j n ASP 35 Cb 0.03 1.51 -0.05 0.00 -0.72 0.00 0.00 41.12 41.89 1s6j n ASP 35 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1s6j n ASN 36 N -2.47 -3.57 0.09 1.67 4.13 0.16 -4.72 115.26 110.55 1s6j n ASN 36 Ca -0.13 0.31 0.13 0.00 1.68 0.00 0.00 54.58 56.58 1s6j n ASN 36 Cb 0.76 -3.26 0.39 0.00 -1.54 0.00 0.00 39.78 36.14 1s6j n ASN 36 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1s6j n SER 37 N -0.47 0.70 0.00 6.41 3.41 -1.26 -4.80 113.62 117.61 1s6j n SER 37 Ca -0.13 0.49 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 1s6j n SER 37 Cb 0.44 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 1s6j n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s6j n GLY 38 N 1.34 1.12 2.85 5.00 0.00 -1.26 -5.09 105.19 109.15 1s6j n GLY 38 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 1s6j n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s6j s THR 39 N -2.00 -0.05 -0.24 2.61 2.01 -1.26 -4.71 115.64 112.00 1s6j s THR 39 Ca 0.00 0.18 -0.08 0.00 0.31 0.00 0.00 61.69 62.11 1s6j s THR 39 Cb 0.00 -0.14 -0.03 0.00 0.01 0.00 0.00 72.50 72.33 1s6j s THR 39 CO 0.00 0.07 0.08 -0.63 -0.69 0.00 0.00 174.62 173.45 1s6j s ILE 40 N 1.01 4.47 -0.09 1.82 1.01 -1.07 -4.80 121.20 123.54 1s6j s ILE 40 Ca -0.08 -0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.45 1s6j s ILE 40 Cb -0.11 -3.08 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 1s6j s ILE 40 CO -0.04 0.35 -0.10 0.42 0.00 0.00 0.00 174.94 175.57 1s6j s THR 41 N 1.45 3.43 0.21 2.92 -4.23 -1.26 -1.18 115.64 116.97 1s6j s THR 41 Ca 0.06 -0.56 -0.06 0.00 -1.18 0.00 0.00 61.69 59.94 1s6j s THR 41 Cb -0.15 -2.41 0.33 0.00 1.34 0.00 0.00 72.50 71.62 1s6j s THR 41 CO 0.04 0.57 1.15 0.33 -0.54 0.00 0.00 174.62 176.17 1s6j n PHE 42 N 2.69 0.26 -0.28 3.99 7.35 -1.00 0.17 117.46 130.64 1s6j n PHE 42 Ca -0.18 0.90 0.10 0.00 -0.76 0.00 0.00 57.45 57.51 1s6j n PHE 42 Cb 0.53 -0.92 0.25 0.00 0.35 0.00 0.00 39.48 39.68 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 0.14 0.55 -2.13 3.58 -1.95 0.65 116.42 117.26 1s6j h ASP 43 Ca 0.35 0.16 -0.29 0.00 0.42 0.00 0.00 57.03 57.67 1s6j h ASP 43 Cb 0.53 0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.77 1s6j h ASP 43 CO -0.76 -0.04 -1.40 -0.33 -2.88 0.00 0.00 179.24 173.84 1s6j h GLU 44 N 0.32 0.25 -0.34 0.28 5.08 0.13 -3.36 114.58 116.93 1s6j h GLU 44 Ca 0.50 -0.42 0.07 0.00 -1.00 0.00 0.00 59.36 58.51 1s6j h GLU 44 Cb 0.92 0.16 -0.09 0.00 0.50 0.00 0.00 28.75 30.24 1s6j h GLU 44 CO -0.54 1.14 -0.34 1.25 -1.00 0.00 0.00 179.01 179.52 1s6j h LEU 45 N 0.07 -1.11 -0.59 1.33 5.85 0.23 -1.44 115.31 119.65 1s6j h LEU 45 Ca -0.19 0.18 0.12 0.00 0.84 0.00 0.00 57.88 58.83 1s6j h LEU 45 Cb 1.99 0.50 -0.09 0.00 0.37 0.00 0.00 40.66 43.43 1s6j h LEU 45 CO 0.18 -0.34 0.05 0.11 -0.34 0.00 0.00 178.44 178.10 1s6j h LYS 46 N -0.29 0.16 0.00 1.25 1.57 -1.39 0.17 116.57 118.04 1s6j h LYS 46 Ca 0.15 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1s6j h LYS 46 Cb 0.55 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1s6j h LYS 46 CO -0.50 0.10 0.42 0.22 -0.57 0.00 0.00 179.45 179.13 1s6j h ASP 47 N 0.16 0.00 0.26 0.86 1.82 -1.40 0.82 116.42 118.94 1s6j h ASP 47 Ca 0.31 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.94 1s6j h ASP 47 Cb 0.49 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.50 1s6j h ASP 47 CO -0.47 0.00 -0.13 1.23 -1.61 0.00 0.00 179.24 178.27 1s6j h GLY 48 N 0.00 -0.37 1.03 -0.78 0.00 -0.60 0.37 103.07 102.72 1s6j h GLY 48 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1s6j h GLY 48 CO 0.00 -0.13 -0.64 1.04 0.00 0.00 0.00 176.54 176.81 1s6j n LEU 49 N -5.05 0.61 0.12 3.11 4.77 -0.30 -3.69 117.00 116.58 1s6j n LEU 49 Ca -0.09 0.12 0.08 0.00 -0.03 0.00 0.00 56.01 56.10 1s6j n LEU 49 Cb 0.26 -0.19 0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1s6j n LEU 49 CO 0.27 0.02 0.22 0.50 -1.33 0.00 0.00 177.39 177.07 1s6j h LYS 50 N 0.00 0.00 -1.34 3.23 3.64 0.54 -3.25 116.57 119.39 1s6j h LYS 50 Ca 0.00 0.00 0.40 0.00 -1.27 0.00 0.00 60.65 59.78 1s6j h LYS 50 Cb 0.66 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.39 1s6j h LYS 50 CO 0.00 0.12 0.92 -0.09 -2.27 0.00 0.00 179.45 178.13 1s6j h ARG 51 N 0.00 0.11 0.00 1.90 9.65 -0.99 0.20 114.38 125.24 1s6j h ARG 51 Ca -0.03 -0.01 -0.24 0.00 -1.10 0.00 0.00 59.98 58.60 1s6j h ARG 51 Cb 1.16 -0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 29.67 1s6j h ARG 51 CO 0.02 0.07 -1.98 1.33 2.80 0.00 0.00 179.97 182.21 1s6j n VAL 52 N -4.39 0.90 -3.62 0.20 0.24 -1.25 -5.03 118.33 105.38 1s6j n VAL 52 Ca 0.32 -0.60 -0.21 0.00 -2.04 0.00 0.00 64.34 61.82 1s6j n VAL 52 Cb 1.36 -0.53 0.06 0.00 -1.47 0.00 0.00 33.84 33.26 1s6j n VAL 52 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1s6j n GLY 53 N 2.04 -0.36 0.00 7.63 0.00 0.05 -4.97 105.19 109.59 1s6j n GLY 53 Ca -0.22 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1s6j n GLY 53 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1s6j n SER 54 N -3.06 0.00 -0.75 1.61 2.88 -1.26 -4.86 113.62 108.18 1s6j n SER 54 Ca -0.24 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 1s6j n SER 54 Cb 0.65 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.11 1s6j n SER 54 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1s6j n GLU 55 N -0.30 0.00 -0.66 -1.46 0.28 -1.26 -5.13 120.64 112.11 1s6j n GLU 55 Ca 0.00 -1.00 -0.31 0.00 -0.16 0.00 0.00 57.16 55.69 1s6j n GLU 55 Cb 0.00 -0.21 0.18 0.00 1.43 0.00 0.00 31.44 32.84 1s6j n GLU 55 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 1s6j n LEU 56 N 0.10 -0.08 -4.01 -1.84 -0.00 -1.26 -5.02 117.00 104.89 1s6j n LEU 56 Ca -0.01 0.14 -0.28 0.00 -0.00 0.00 0.00 56.01 55.85 1s6j n LEU 56 Cb 0.75 -1.23 -0.17 0.00 -0.00 0.00 0.00 43.42 42.77 1s6j n LEU 56 CO -0.02 -3.07 -0.48 0.00 -0.00 0.00 0.00 177.39 173.82 1s6j s MET 57 N -4.01 2.07 0.00 1.47 0.23 -1.26 -4.99 119.30 112.81 1s6j s MET 57 Ca 0.62 -0.48 0.00 0.00 -1.03 0.00 0.00 55.69 54.79 1s6j s MET 57 Cb -0.20 -1.87 0.00 0.00 -1.53 0.00 0.00 34.83 31.23 1s6j s MET 57 CO 0.64 -0.16 0.79 0.39 -2.03 0.00 0.00 175.02 174.65 1s6j n GLU 58 N 4.54 0.00 0.04 3.16 1.02 -1.26 -0.99 120.64 127.15 1s6j n GLU 58 Ca -0.17 0.31 -0.20 0.00 -0.02 0.00 0.00 57.16 57.08 1s6j n GLU 58 Cb 0.51 -1.65 -0.11 0.00 -0.02 0.00 0.00 31.44 30.16 1s6j n GLU 58 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1s6j h SER 59 N 0.00 0.80 1.10 1.62 0.87 -1.99 -2.50 113.55 113.45 1s6j h SER 59 Ca 0.00 -0.76 0.00 0.00 -1.23 0.00 0.00 61.79 59.80 1s6j h SER 59 Cb 0.31 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1s6j h SER 59 CO 0.00 1.46 0.00 -0.33 -0.53 0.00 0.00 176.83 177.43 1s6j h GLU 60 N 0.23 0.00 0.05 2.24 4.39 -1.48 -1.30 114.58 118.72 1s6j h GLU 60 Ca -0.12 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.37 1s6j h GLU 60 Cb 1.63 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.26 1s6j h GLU 60 CO 0.19 0.00 -1.10 0.82 -1.16 0.00 0.00 179.01 177.75 1s6j h ILE 61 N 0.00 1.12 -0.01 3.13 2.04 -1.57 -2.89 117.51 119.34 1s6j h ILE 61 Ca 0.00 -2.31 -0.15 0.00 1.00 0.00 0.00 64.86 63.41 1s6j h ILE 61 Cb 0.55 2.66 -0.02 0.00 -0.74 0.00 0.00 36.82 39.27 1s6j h ILE 61 CO 0.00 0.55 -0.68 0.07 0.00 0.00 0.00 178.15 178.09 1s6j h LYS 62 N -0.68 0.05 0.00 2.37 5.09 -1.46 -1.39 116.57 120.55 1s6j h LYS 62 Ca -0.27 -0.04 0.00 0.00 0.09 0.00 0.00 60.65 60.43 1s6j h LYS 62 Cb 1.46 0.01 0.00 0.00 0.10 0.00 0.00 32.23 33.80 1s6j h LYS 62 CO -0.05 0.71 0.00 0.22 -2.09 0.00 0.00 179.45 178.24 1s6j h ASP 63 N 0.03 0.00 0.68 7.07 3.58 -1.40 -0.47 116.42 125.93 1s6j h ASP 63 Ca -0.01 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.18 1s6j h ASP 63 Cb 1.20 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.21 1s6j h ASP 63 CO 0.09 0.00 -1.44 0.25 -2.88 0.00 0.00 179.24 175.27 1s6j h LEU 64 N 0.00 0.01 0.00 2.28 5.85 -1.26 -3.25 115.31 118.94 1s6j h LEU 64 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1s6j h LEU 64 Cb 0.93 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.95 1s6j h LEU 64 CO 0.00 1.01 -0.23 -0.03 -0.34 0.00 0.00 178.44 178.85 1s6j h MET 65 N 0.00 0.00 0.39 1.25 4.05 -1.21 -3.34 114.93 116.07 1s6j h MET 65 Ca -0.18 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.23 1s6j h MET 65 Cb 1.92 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.70 1s6j h MET 65 CO 0.10 0.00 -0.41 0.22 0.23 0.00 0.00 176.91 177.05 1s6j h ASP 66 N -0.50 -1.14 0.00 1.39 3.58 -1.31 0.27 116.42 118.71 1s6j h ASP 66 Ca 0.00 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.54 1s6j h ASP 66 Cb 0.23 0.38 0.00 0.00 1.72 0.00 0.00 39.33 41.66 1s6j h ASP 66 CO 0.00 -0.54 0.01 0.00 -2.88 0.00 0.00 179.24 175.83 1s6j n ALA 67 N -2.72 1.10 -0.01 -0.78 0.00 -1.23 -1.12 120.51 115.76 1s6j n ALA 67 Ca -0.10 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.41 1s6j n ALA 67 Cb 0.37 -0.97 -0.12 0.00 0.00 0.00 0.00 19.45 18.73 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 -1.35 2.49 -2.94 0.00 0.00 -0.66 -4.94 120.51 113.10 1s6j n ALA 68 Ca 0.00 -0.41 -0.33 0.00 0.00 0.00 0.00 53.44 52.69 1s6j n ALA 68 Cb 0.01 -0.48 -0.12 0.00 0.00 0.00 0.00 19.45 18.85 1s6j n ALA 68 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1s6j s ASP 69 N -3.85 4.61 0.07 0.00 -4.77 -0.00 -4.03 116.67 108.69 1s6j s ASP 69 Ca -0.06 -0.16 0.11 0.00 -3.30 0.00 0.00 52.55 49.14 1s6j s ASP 69 Cb 0.09 -1.68 -0.18 0.00 -1.09 0.00 0.00 42.92 40.07 1s6j s ASP 69 CO 0.63 0.19 1.04 -0.29 0.70 0.00 0.00 175.17 177.44 1s6j h ILE 70 N 5.10 1.19 -0.17 2.11 6.09 -1.86 -3.30 117.51 126.67 1s6j h ILE 70 Ca -0.32 -2.89 0.05 0.00 -1.37 0.00 0.00 64.86 60.33 1s6j h ILE 70 Cb 1.19 2.57 -0.01 0.00 0.47 0.00 0.00 36.82 41.04 1s6j h ILE 70 CO 0.60 0.68 0.21 0.44 -3.07 0.00 0.00 178.15 177.02 1s6j h ASP 71 N 0.00 0.00 -0.58 2.19 3.32 -1.94 -3.44 116.42 115.98 1s6j h ASP 71 Ca -0.12 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.73 1s6j h ASP 71 Cb 1.79 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 41.27 1s6j h ASP 71 CO 0.10 0.00 -0.18 0.29 -1.72 0.00 0.00 179.24 177.73 1s6j n LYS 72 N -3.70 -1.69 0.00 3.56 4.76 -1.24 -4.77 118.16 115.07 1s6j n LYS 72 Ca 0.01 0.78 0.14 0.00 -2.87 0.00 0.00 58.31 56.37 1s6j n LYS 72 Cb 0.33 -5.08 0.70 0.00 -1.84 0.00 0.00 35.03 29.14 1s6j n LYS 72 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1s6j n SER 73 N -0.82 0.00 0.00 4.39 3.41 -1.26 -4.87 113.62 114.46 1s6j n SER 73 Ca -0.10 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 1s6j n SER 73 Cb 0.53 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 1s6j n SER 73 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s6j n GLY 74 N 1.07 1.62 3.79 5.00 0.00 -1.26 -5.04 105.19 110.36 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 -1.08 0.00 0.00 0.00 173.32 172.24 1s6j s THR 75 N -2.41 1.36 -0.14 2.61 -1.32 -1.26 -2.37 115.64 112.11 1s6j s THR 75 Ca 0.00 -1.87 -0.25 0.00 -1.21 0.00 0.00 61.69 58.36 1s6j s THR 75 Cb 0.00 -2.23 0.06 0.00 -1.51 0.00 0.00 72.50 68.82 1s6j s THR 75 CO 0.00 0.00 0.62 -0.51 -2.21 0.00 0.00 174.62 172.52 1s6j s ILE 76 N -2.83 0.01 0.40 5.08 2.07 -0.33 -4.75 121.20 120.84 1s6j s ILE 76 Ca 0.15 -0.05 0.07 0.00 -1.41 0.00 0.00 60.65 59.41 1s6j s ILE 76 Cb 0.01 -0.90 -0.08 0.00 0.13 0.00 0.00 42.46 41.62 1s6j s ILE 76 CO 0.08 -0.03 -0.00 1.51 -1.91 0.00 0.00 174.94 174.59 1s6j s ASP 77 N -0.45 3.80 0.19 4.50 -4.77 -1.26 -2.61 116.67 116.06 1s6j s ASP 77 Ca -0.06 -1.35 -0.09 0.00 -3.30 0.00 0.00 52.55 47.75 1s6j s ASP 77 Cb -0.03 -0.38 0.09 0.00 -1.09 0.00 0.00 42.92 41.51 1s6j s ASP 77 CO 0.05 -0.42 1.69 0.22 0.70 0.00 0.00 175.17 177.41 1s6j h TYR 78 N 1.82 1.13 0.00 2.11 3.20 -1.88 -2.58 116.97 120.76 1s6j h TYR 78 Ca -0.44 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 61.29 1s6j h TYR 78 Cb 1.24 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.20 1s6j h TYR 78 CO 0.73 0.94 0.00 0.41 -1.64 0.00 0.00 178.16 178.60 1s6j n GLY 79 N -0.61 -1.42 0.07 1.82 0.00 0.32 -3.50 105.19 101.87 1s6j n GLY 79 Ca 0.04 0.02 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 1s6j n GLY 79 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1s6j h GLU 80 N 0.00 -0.02 -0.97 1.61 4.81 -1.75 -1.32 114.58 116.94 1s6j h GLU 80 Ca 0.00 0.00 0.22 0.00 -0.13 0.00 0.00 59.36 59.45 1s6j h GLU 80 Cb 0.50 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.80 1s6j h GLU 80 CO 0.00 0.47 0.63 0.35 -0.73 0.00 0.00 179.01 179.73 1s6j h PHE 81 N -0.99 0.65 0.00 0.92 3.57 -1.59 0.14 116.94 119.64 1s6j h PHE 81 Ca -0.00 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.44 1s6j h PHE 81 Cb 0.50 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1s6j h PHE 81 CO 0.13 0.13 -1.01 0.97 -2.23 0.00 0.00 178.31 176.31 1s6j h ILE 82 N 0.45 0.31 -0.48 1.41 6.09 -1.66 -3.33 117.51 120.30 1s6j h ILE 82 Ca 0.53 -1.55 0.14 0.00 -1.37 0.00 0.00 64.86 62.60 1s6j h ILE 82 Cb 1.25 1.88 -0.02 0.00 0.47 0.00 0.00 36.82 40.39 1s6j h ILE 82 CO -0.24 0.18 0.44 0.00 -3.07 0.00 0.00 178.15 175.46 1s6j h ALA 83 N 1.70 2.27 -0.90 0.18 0.00 0.50 -3.35 119.26 119.67 1s6j h ALA 83 Ca -0.07 -0.02 -0.44 0.00 0.00 0.00 0.00 54.91 54.39 1s6j h ALA 83 Cb 1.28 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.04 1s6j h ALA 83 CO 0.03 -0.69 1.10 0.00 0.00 0.00 0.00 179.25 179.69 1s6j s ALA 84 N -4.75 2.16 0.03 0.00 0.00 -1.21 -4.88 121.76 113.12 1s6j s ALA 84 Ca -0.05 -1.87 -0.27 0.00 0.00 0.00 0.00 51.96 49.77 1s6j s ALA 84 Cb 0.17 -4.55 0.08 0.00 0.00 0.00 0.00 23.12 18.82 1s6j s ALA 84 CO 0.61 -4.26 0.71 -0.08 0.00 0.00 0.00 175.76 172.74 1s6j s THR 85 N 7.69 0.00 -0.20 0.00 -1.32 -1.26 -5.11 115.64 115.44 1s6j s THR 85 Ca 0.59 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.78 1s6j s THR 85 Cb -0.03 -1.00 0.14 0.00 -1.51 0.00 0.00 72.50 70.10 1s6j s THR 85 CO -0.05 0.00 1.09 0.54 -2.21 0.00 0.00 174.62 173.99 1s6j s VAL 86 N -2.51 0.00 -2.00 5.08 0.11 -1.26 -5.23 120.40 114.58 1s6j s VAL 86 Ca -0.03 0.00 0.30 0.00 -2.93 0.00 0.00 61.98 59.32 1s6j s VAL 86 Cb -0.01 -1.00 0.86 0.00 -1.53 0.00 0.00 36.38 34.70 1s6j s VAL 86 CO -0.03 0.00 2.13 1.41 -3.33 0.00 0.00 175.10 175.28