#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6j n SER 2 N 0.00 4.83 -0.82 0.26 3.41 -1.26 -4.26 113.62 115.77 1s6j n SER 2 Ca 0.00 -2.77 0.03 0.00 -0.26 0.00 0.00 58.87 55.88 1s6j n SER 2 Cb 0.00 -1.60 0.05 0.00 -0.26 0.00 0.00 64.21 62.40 1s6j n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1s6j n SER 3 N 5.62 0.87 -0.04 4.04 7.64 -1.26 -4.46 113.62 126.04 1s6j n SER 3 Ca 0.57 -2.37 0.02 0.00 1.01 0.00 0.00 58.87 58.11 1s6j n SER 3 Cb 0.35 -0.31 -0.14 0.00 -1.01 0.00 0.00 64.21 63.11 1s6j n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s6j n GLY 4 N -0.13 -0.83 0.00 0.23 0.00 -1.26 -4.71 105.19 98.48 1s6j n GLY 4 Ca 0.07 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1s6j n GLY 4 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1s6j n HIS 5 N -2.32 0.00 -3.25 1.61 -0.00 -1.26 -4.93 115.22 105.07 1s6j n HIS 5 Ca -0.13 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.18 1s6j n HIS 5 Cb 0.69 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.67 1s6j n HIS 5 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 1s6j n ILE 6 N -0.33 4.50 0.00 1.59 2.08 -1.26 -4.71 119.36 121.23 1s6j n ILE 6 Ca 0.00 -5.57 0.00 0.00 0.56 0.00 0.00 62.75 57.74 1s6j n ILE 6 Cb 0.00 -2.30 0.00 0.00 -0.75 0.00 0.00 39.64 36.59 1s6j n ILE 6 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1s6j n ASP 7 N 1.90 0.00 -2.71 4.38 9.92 -1.26 -4.66 116.55 124.12 1s6j n ASP 7 Ca 0.25 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.49 1s6j n ASP 7 Cb 0.36 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 40.87 1s6j n ASP 7 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 1s6j s ASP 8 N 1.00 -0.46 0.00 -2.24 -4.77 -1.26 -4.86 116.67 104.08 1s6j s ASP 8 Ca 0.00 -0.48 0.00 0.00 -3.30 0.00 0.00 52.55 48.77 1s6j s ASP 8 Cb 0.00 0.60 0.00 0.00 -1.09 0.00 0.00 42.92 42.43 1s6j s ASP 8 CO 0.00 -0.02 0.00 -0.67 0.70 0.00 0.00 175.17 175.18 1s6j n ASP 9 N 2.86 0.00 0.01 2.11 2.03 -1.26 -4.85 116.55 117.45 1s6j n ASP 9 Ca 0.11 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.29 1s6j n ASP 9 Cb 0.63 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.89 1s6j n ASP 9 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1s6j h ASP 10 N 0.00 0.19 0.53 1.67 5.19 -1.98 -3.34 116.42 118.68 1s6j h ASP 10 Ca 0.00 -0.36 0.00 0.00 -0.62 0.00 0.00 57.03 56.05 1s6j h ASP 10 Cb 0.00 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.45 1s6j h ASP 10 CO 0.00 1.31 -0.45 0.29 -3.12 0.00 0.00 179.24 177.27 1s6j n LYS 11 N -3.27 0.03 0.13 3.56 5.02 -1.26 -3.77 118.16 118.59 1s6j n LYS 11 Ca -0.19 -0.02 -0.01 0.00 -2.02 0.00 0.00 58.31 56.08 1s6j n LYS 11 Cb 1.04 -1.50 0.10 0.00 -0.02 0.00 0.00 35.03 34.65 1s6j n LYS 11 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1s6j h HIS 12 N 0.04 0.00 0.00 2.13 2.76 -1.89 -2.92 115.15 115.26 1s6j h HIS 12 Ca 0.00 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 1s6j h HIS 12 Cb 0.50 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.46 1s6j h HIS 12 CO 0.00 0.66 -0.04 0.52 -1.30 0.00 0.00 177.93 177.77 1s6j h MET 13 N 0.00 0.00 0.00 5.26 2.86 -1.71 -0.94 114.93 120.41 1s6j h MET 13 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1s6j h MET 13 Cb 1.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.95 1s6j h MET 13 CO 0.09 0.04 -1.43 0.00 1.06 0.00 0.00 176.91 176.66 1s6j n ALA 14 N -2.14 3.07 0.09 6.32 0.00 -1.13 -4.13 120.51 122.58 1s6j n ALA 14 Ca -0.01 -0.43 0.08 0.00 0.00 0.00 0.00 53.44 53.07 1s6j n ALA 14 Cb 0.22 -0.89 -0.01 0.00 0.00 0.00 0.00 19.45 18.77 1s6j n ALA 14 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1s6j h GLU 15 N 0.00 0.00 0.00 0.00 4.39 -1.16 -3.47 114.58 114.34 1s6j h GLU 15 Ca 0.00 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.45 1s6j h GLU 15 Cb 0.89 0.00 0.10 0.00 -0.10 0.00 0.00 28.75 29.63 1s6j h GLU 15 CO 0.00 0.10 0.22 2.89 -1.16 0.00 0.00 179.01 181.07 1s6j n ARG 16 N -2.79 -0.65 -1.81 2.33 1.85 -0.44 -5.07 116.66 110.08 1s6j n ARG 16 Ca -0.02 -1.21 -0.29 0.00 -1.00 0.00 0.00 57.85 55.32 1s6j n ARG 16 Cb 0.64 -0.74 0.14 0.00 -1.05 0.00 0.00 32.46 31.45 1s6j n ARG 16 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1s6j s LEU 17 N 0.00 2.40 -0.61 2.89 2.01 -1.26 -5.02 118.68 119.09 1s6j s LEU 17 Ca 0.43 0.60 0.03 0.00 0.01 0.00 0.00 54.13 55.20 1s6j s LEU 17 Cb -0.01 -2.85 0.15 0.00 0.01 0.00 0.00 46.19 43.48 1s6j s LEU 17 CO 0.30 -2.45 0.39 -0.44 1.01 0.00 0.00 176.35 175.15 1s6j s SER 18 N -4.57 4.67 0.00 2.29 0.01 -1.26 -4.89 113.70 109.94 1s6j s SER 18 Ca 0.67 -3.33 0.28 0.00 1.31 0.00 0.00 55.95 54.88 1s6j s SER 18 Cb -0.09 -1.67 1.02 0.00 0.21 0.00 0.00 66.02 65.48 1s6j s SER 18 CO 0.52 -0.19 1.75 -0.62 0.41 0.00 0.00 173.24 175.10 1s6j n GLU 19 N 2.70 0.29 0.19 12.44 -0.58 -1.26 -3.86 120.64 130.57 1s6j n GLU 19 Ca 0.11 -0.10 -0.08 0.00 -0.42 0.00 0.00 57.16 56.66 1s6j n GLU 19 Cb 0.34 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.67 1s6j n GLU 19 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1s6j h GLU 20 N 0.26 -0.53 0.00 3.49 3.07 -1.97 -2.07 114.58 116.82 1s6j h GLU 20 Ca 0.00 0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1s6j h GLU 20 Cb 0.44 0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 1s6j h GLU 20 CO 0.00 -0.36 0.00 0.39 -1.40 0.00 0.00 179.01 177.64 1s6j n GLU 21 N -4.91 0.00 0.10 2.33 4.71 -1.26 -2.65 120.64 118.96 1s6j n GLU 21 Ca -0.07 0.49 0.06 0.00 -0.01 0.00 0.00 57.16 57.64 1s6j n GLU 21 Cb 0.22 -1.45 0.34 0.00 -1.01 0.00 0.00 31.44 29.54 1s6j n GLU 21 CO 0.00 0.00 0.00 0.44 0.09 0.00 0.00 177.13 177.66 1s6j n ILE 22 N -1.97 1.38 -0.02 -3.67 -5.35 -1.25 0.21 119.36 108.69 1s6j n ILE 22 Ca 0.00 0.64 -0.00 0.00 -0.27 0.00 0.00 62.75 63.12 1s6j n ILE 22 Cb 0.00 -1.64 -0.00 0.00 -1.74 0.00 0.00 39.64 36.26 1s6j n ILE 22 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1s6j h GLY 23 N 0.00 0.00 0.00 3.28 0.00 -1.26 -3.41 103.07 101.69 1s6j h GLY 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1s6j h GLY 23 CO 0.00 0.00 -0.38 0.61 0.00 0.00 0.00 176.54 176.77 1s6j n GLY 24 N 1.91 -0.56 0.00 4.60 0.00 -1.09 -4.57 105.19 105.49 1s6j n GLY 24 Ca -0.00 -0.12 0.05 0.00 0.00 0.00 0.00 46.02 45.95 1s6j n GLY 24 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1s6j n LEU 25 N -3.34 0.00 0.06 0.99 7.94 -1.20 -3.78 117.00 117.67 1s6j n LEU 25 Ca -0.05 0.40 0.15 0.00 -1.11 0.00 0.00 56.01 55.39 1s6j n LEU 25 Cb 0.20 -0.40 0.25 0.00 0.53 0.00 0.00 43.42 44.00 1s6j n LEU 25 CO 0.08 -0.25 1.13 0.50 -1.11 0.00 0.00 177.39 177.75 1s6j h LYS 26 N 0.00 0.00 0.06 1.96 3.64 -0.47 0.70 116.57 122.46 1s6j h LYS 26 Ca 0.00 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.21 1s6j h LYS 26 Cb 0.15 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1s6j h LYS 26 CO 0.00 0.00 -0.83 1.49 -2.27 0.00 0.00 179.45 177.84 1s6j h GLU 27 N 0.00 0.13 0.00 1.90 4.57 -1.85 -3.36 114.58 115.97 1s6j h GLU 27 Ca 0.25 -0.23 -0.15 0.00 -1.18 0.00 0.00 59.36 58.04 1s6j h GLU 27 Cb 2.41 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 31.06 1s6j h GLU 27 CO -0.00 1.11 -0.93 1.25 -1.18 0.00 0.00 179.01 179.25 1s6j h LEU 28 N -0.66 0.00 -0.97 1.64 5.85 -0.31 -3.32 115.31 117.54 1s6j h LEU 28 Ca -0.19 -0.44 0.32 0.00 0.84 0.00 0.00 57.88 58.40 1s6j h LEU 28 Cb 1.42 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 42.28 1s6j h LEU 28 CO 0.01 1.26 0.30 0.15 -0.34 0.00 0.00 178.44 179.82 1s6j h PHE 29 N -1.00 0.44 -0.33 1.25 3.57 -0.14 0.66 116.94 121.38 1s6j h PHE 29 Ca -0.23 0.05 -0.17 0.00 3.53 0.00 0.00 57.97 61.15 1s6j h PHE 29 Cb 1.07 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.78 1s6j h PHE 29 CO 0.05 -0.37 -0.47 1.57 -2.23 0.00 0.00 178.31 176.87 1s6j h LYS 30 N 0.09 0.91 0.00 1.11 2.10 -1.72 -1.80 116.57 117.26 1s6j h LYS 30 Ca 0.68 -0.53 0.00 0.00 -2.00 0.00 0.00 60.65 58.81 1s6j h LYS 30 Cb 1.58 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.95 1s6j h LYS 30 CO -0.78 1.17 0.00 1.98 -2.00 0.00 0.00 179.45 179.83 1s6j h MET 31 N 0.71 0.00 0.00 0.07 4.05 -0.05 -3.04 114.93 116.66 1s6j h MET 31 Ca 0.04 0.00 -0.17 0.00 -0.28 0.00 0.00 59.70 59.29 1s6j h MET 31 Cb 1.07 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.84 1s6j h MET 31 CO 0.11 0.00 -1.57 1.51 0.23 0.00 0.00 176.91 177.19 1s6j n ILE 32 N -2.80 1.08 -2.83 1.77 0.13 0.15 -4.84 119.36 112.03 1s6j n ILE 32 Ca 0.03 -0.69 -0.42 0.00 -1.10 0.00 0.00 62.75 60.57 1s6j n ILE 32 Cb 0.37 -0.62 -0.04 0.00 -0.84 0.00 0.00 39.64 38.51 1s6j n ILE 32 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1s6j s ASP 33 N -5.61 7.08 0.49 9.51 2.15 -0.69 -4.92 116.67 124.67 1s6j s ASP 33 Ca -0.04 1.32 0.18 0.00 0.43 0.00 0.00 52.55 54.44 1s6j s ASP 33 Cb 0.09 -2.49 1.21 0.00 -0.30 0.00 0.00 42.92 41.43 1s6j s ASP 33 CO 0.82 -0.38 2.02 0.00 -0.17 0.00 0.00 175.17 177.46 1s6j h THR 34 N 5.10 0.86 0.00 1.71 1.03 -1.84 0.25 112.91 120.02 1s6j h THR 34 Ca -0.31 -0.06 -0.00 0.00 -0.01 0.00 0.00 66.41 66.02 1s6j h THR 34 Cb 1.15 0.66 -0.00 0.00 -1.07 0.00 0.00 68.15 68.88 1s6j h THR 34 CO 0.83 0.03 -0.09 -0.78 -0.01 0.00 0.00 175.52 175.50 1s6j h ASP 35 N 0.18 0.00 -1.40 0.00 3.58 -1.88 -3.46 116.42 113.44 1s6j h ASP 35 Ca 0.22 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.44 1s6j h ASP 35 Cb 0.62 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 41.58 1s6j h ASP 35 CO -0.03 0.01 -0.20 0.59 -2.88 0.00 0.00 179.24 176.72 1s6j n ASN 36 N -3.07 -2.99 0.13 2.28 4.13 0.89 -4.72 115.26 111.90 1s6j n ASN 36 Ca 0.04 0.27 0.12 0.00 1.68 0.00 0.00 54.58 56.69 1s6j n ASN 36 Cb 0.53 -2.83 0.25 0.00 -1.54 0.00 0.00 39.78 36.20 1s6j n ASN 36 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 1s6j h SER 37 N 0.00 0.00 0.00 6.41 4.64 -1.83 -3.47 113.55 119.30 1s6j h SER 37 Ca -0.22 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1s6j h SER 37 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1s6j h SER 37 CO 0.32 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.91 1s6j n GLY 38 N 1.24 1.21 3.23 -0.77 0.00 -1.26 -5.06 105.19 103.78 1s6j n GLY 38 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.02 -0.03 2.61 -4.23 -1.26 -4.90 115.64 105.80 1s6j s THR 39 Ca 0.00 0.08 -0.01 0.00 -1.18 0.00 0.00 61.69 60.58 1s6j s THR 39 Cb 0.00 -0.55 -0.04 0.00 1.34 0.00 0.00 72.50 73.26 1s6j s THR 39 CO 0.00 0.03 0.07 -0.63 -0.54 0.00 0.00 174.62 173.55 1s6j s ILE 40 N 1.08 4.70 0.06 2.99 1.01 -1.06 -4.81 121.20 125.16 1s6j s ILE 40 Ca -0.07 -0.32 0.03 0.00 0.00 0.00 0.00 60.65 60.29 1s6j s ILE 40 Cb -0.07 -3.10 -0.03 0.00 0.01 0.00 0.00 42.46 39.27 1s6j s ILE 40 CO -0.09 0.43 -0.10 0.42 0.00 0.00 0.00 174.94 175.61 1s6j s THR 41 N -1.11 0.74 0.10 2.92 -4.23 -1.26 -0.00 115.64 112.80 1s6j s THR 41 Ca 0.20 -1.20 -0.19 0.00 -1.18 0.00 0.00 61.69 59.32 1s6j s THR 41 Cb -0.12 -0.81 -0.04 0.00 1.34 0.00 0.00 72.50 72.87 1s6j s THR 41 CO 0.10 -0.35 1.08 0.33 -0.54 0.00 0.00 174.62 175.24 1s6j n PHE 42 N 1.33 -0.28 -0.31 3.99 7.35 -1.17 0.21 117.46 128.59 1s6j n PHE 42 Ca -0.22 0.79 0.16 0.00 -0.76 0.00 0.00 57.45 57.42 1s6j n PHE 42 Cb 0.55 -0.53 0.40 0.00 0.35 0.00 0.00 39.48 40.25 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 0.62 1.09 -2.13 3.58 -1.97 0.33 116.42 117.94 1s6j h ASP 43 Ca 0.10 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.62 1s6j h ASP 43 Cb 0.26 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.27 1s6j h ASP 43 CO -0.59 0.23 -0.63 -0.33 -2.88 0.00 0.00 179.24 175.04 1s6j h GLU 44 N 0.61 0.00 0.54 0.28 5.08 0.48 -3.32 114.58 118.25 1s6j h GLU 44 Ca 0.53 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.87 1s6j h GLU 44 Cb 1.03 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.29 1s6j h GLU 44 CO -0.29 0.00 -0.26 1.25 -1.00 0.00 0.00 179.01 178.71 1s6j h LEU 45 N 0.00 -0.61 -1.70 1.33 5.85 0.64 -3.20 115.31 117.62 1s6j h LEU 45 Ca 0.00 0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.87 1s6j h LEU 45 Cb 0.86 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 1s6j h LEU 45 CO 0.00 -0.29 0.43 0.07 -0.34 0.00 0.00 178.44 178.31 1s6j h LYS 46 N -1.02 0.31 0.00 1.25 2.10 -1.60 -1.94 116.57 115.66 1s6j h LYS 46 Ca -0.07 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 1s6j h LYS 46 Cb 0.56 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 1s6j h LYS 46 CO 0.12 0.20 0.58 0.22 -2.00 0.00 0.00 179.45 178.57 1s6j h ASP 47 N 0.32 0.00 0.34 7.07 1.82 -1.64 0.64 116.42 124.97 1s6j h ASP 47 Ca 0.30 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.93 1s6j h ASP 47 Cb 0.75 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.76 1s6j h ASP 47 CO -0.08 0.00 -0.16 1.23 -1.61 0.00 0.00 179.24 178.62 1s6j h GLY 48 N 0.00 -0.48 0.85 -0.78 0.00 -1.51 -2.66 103.07 98.49 1s6j h GLY 48 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1s6j h GLY 48 CO 0.00 -0.17 -0.78 1.04 0.00 0.00 0.00 176.54 176.63 1s6j n LEU 49 N -3.96 0.63 0.07 3.11 7.99 -0.67 -3.97 117.00 120.21 1s6j n LEU 49 Ca -0.06 0.05 0.12 0.00 -0.01 0.00 0.00 56.01 56.11 1s6j n LEU 49 Cb 0.18 -0.16 0.21 0.00 -0.11 0.00 0.00 43.42 43.54 1s6j n LEU 49 CO 0.14 0.04 0.45 0.11 -1.51 0.00 0.00 177.39 176.61 1s6j h LYS 50 N 0.00 0.00 0.00 3.23 6.56 0.13 -3.29 116.57 123.20 1s6j h LYS 50 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1s6j h LYS 50 Cb 0.68 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.34 1s6j h LYS 50 CO 0.00 0.00 0.00 -2.13 -2.06 0.00 0.00 179.45 175.26 1s6j n ARG 51 N -2.18 0.08 0.04 3.15 3.00 -1.00 -2.15 116.66 117.59 1s6j n ARG 51 Ca 0.04 0.30 -0.05 0.00 -0.00 0.00 0.00 57.85 58.14 1s6j n ARG 51 Cb 0.44 -1.64 -0.10 0.00 0.00 0.00 0.00 32.46 31.16 1s6j n ARG 51 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.63 177.39 1s6j h VAL 52 N 0.00 1.07 -5.17 5.15 3.04 -1.82 -3.49 116.25 115.04 1s6j h VAL 52 Ca 0.00 -2.73 -0.29 0.00 -1.01 0.00 0.00 66.70 62.67 1s6j h VAL 52 Cb 0.32 2.49 0.14 0.00 -2.01 0.00 0.00 31.29 32.23 1s6j h VAL 52 CO 0.00 0.61 -0.66 0.61 -1.01 0.00 0.00 177.57 177.12 1s6j n GLY 53 N 1.40 -0.26 0.00 3.17 0.00 -0.91 -5.02 105.19 103.56 1s6j n GLY 53 Ca -0.07 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1s6j n GLY 53 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1s6j n SER 54 N -2.81 0.00 -1.51 1.61 7.64 -1.26 -4.97 113.62 112.33 1s6j n SER 54 Ca -0.23 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.68 1s6j n SER 54 Cb 0.64 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.85 1s6j n SER 54 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1s6j n GLU 55 N 0.00 0.10 -2.00 1.43 2.13 -1.26 -5.11 120.64 115.93 1s6j n GLU 55 Ca 0.00 -1.93 -0.28 0.00 0.66 0.00 0.00 57.16 55.61 1s6j n GLU 55 Cb 0.00 -0.01 0.07 0.00 0.27 0.00 0.00 31.44 31.77 1s6j n GLU 55 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 1s6j s LEU 56 N -0.23 2.73 -0.16 4.31 0.05 -1.26 -5.08 118.68 119.04 1s6j s LEU 56 Ca 0.29 0.81 0.01 0.00 0.05 0.00 0.00 54.13 55.28 1s6j s LEU 56 Cb 0.33 -3.44 0.02 0.00 -2.05 0.00 0.00 46.19 41.05 1s6j s LEU 56 CO -0.14 -1.62 -0.16 0.00 -0.55 0.00 0.00 176.35 173.88 1s6j s MET 57 N -5.40 2.49 0.00 1.48 0.23 -1.26 -4.98 119.30 111.86 1s6j s MET 57 Ca 0.60 -0.66 0.00 0.00 -1.03 0.00 0.00 55.69 54.60 1s6j s MET 57 Cb -0.11 -2.27 0.00 0.00 -1.53 0.00 0.00 34.83 30.92 1s6j s MET 57 CO 0.49 -0.24 0.93 0.39 -2.03 0.00 0.00 175.02 174.55 1s6j n GLU 58 N 4.72 0.00 0.29 3.16 4.71 -1.26 -1.30 120.64 130.96 1s6j n GLU 58 Ca -0.18 0.43 0.19 0.00 -0.01 0.00 0.00 57.16 57.59 1s6j n GLU 58 Cb 0.50 -1.54 0.96 0.00 -1.01 0.00 0.00 31.44 30.35 1s6j n GLU 58 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1s6j h SER 59 N 0.00 0.00 0.14 1.62 4.64 -2.02 -1.69 113.55 116.23 1s6j h SER 59 Ca 0.00 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 1s6j h SER 59 Cb 0.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1s6j h SER 59 CO 0.00 0.00 -1.54 -0.33 -0.87 0.00 0.00 176.83 174.09 1s6j h GLU 60 N 0.00 0.29 0.00 4.77 4.39 -1.64 -3.31 114.58 119.08 1s6j h GLU 60 Ca 0.00 -0.50 0.00 0.00 0.34 0.00 0.00 59.36 59.20 1s6j h GLU 60 Cb 0.14 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1s6j h GLU 60 CO 0.00 1.24 0.33 0.82 -1.16 0.00 0.00 179.01 180.24 1s6j h ILE 61 N -0.17 0.00 0.18 3.13 1.08 -1.46 0.93 117.51 121.20 1s6j h ILE 61 Ca -0.32 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.14 1s6j h ILE 61 Cb 1.87 0.57 0.00 0.00 -3.07 0.00 0.00 36.82 36.19 1s6j h ILE 61 CO 0.10 0.00 -0.09 0.11 -0.69 0.00 0.00 178.15 177.58 1s6j h LYS 62 N 0.00 -0.23 0.00 2.37 1.79 -1.62 0.70 116.57 119.58 1s6j h LYS 62 Ca 0.00 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1s6j h LYS 62 Cb 0.67 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 1s6j h LYS 62 CO 0.00 -0.15 0.06 -0.44 -1.08 0.00 0.00 179.45 177.84 1s6j h ASP 63 N -0.57 0.00 0.32 0.86 3.32 -1.53 0.58 116.42 119.39 1s6j h ASP 63 Ca -0.02 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.70 1s6j h ASP 63 Cb 0.18 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 1s6j h ASP 63 CO 0.04 0.00 -1.68 -0.07 -1.72 0.00 0.00 179.24 175.81 1s6j h LEU 64 N 0.00 0.47 0.00 1.55 3.38 -0.75 -3.30 115.31 116.66 1s6j h LEU 64 Ca 0.00 -0.71 -0.04 0.00 0.09 0.00 0.00 57.88 57.22 1s6j h LEU 64 Cb 0.12 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1s6j h LEU 64 CO 0.00 1.60 -0.54 -0.03 0.09 0.00 0.00 178.44 179.57 1s6j h MET 65 N 0.08 0.00 -0.88 1.13 4.05 0.29 -3.15 114.93 116.45 1s6j h MET 65 Ca -0.30 0.00 0.22 0.00 -0.28 0.00 0.00 59.70 59.34 1s6j h MET 65 Cb 2.05 0.00 -0.13 0.00 -0.80 0.00 0.00 31.60 32.72 1s6j h MET 65 CO 0.16 0.18 0.32 0.22 0.23 0.00 0.00 176.91 178.02 1s6j h ASP 66 N -1.00 0.18 1.77 1.39 3.58 -0.17 0.45 116.42 122.61 1s6j h ASP 66 Ca -0.05 0.17 -0.02 0.00 0.42 0.00 0.00 57.03 57.54 1s6j h ASP 66 Cb 0.57 0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.81 1s6j h ASP 66 CO -0.03 -0.07 -0.11 0.00 -2.88 0.00 0.00 179.24 176.14 1s6j h ALA 67 N 1.73 0.93 -0.12 -0.78 0.00 -1.70 -3.25 119.26 116.09 1s6j h ALA 67 Ca 0.55 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 55.21 1s6j h ALA 67 Cb 1.08 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1s6j h ALA 67 CO -0.58 0.14 -0.58 0.00 0.00 0.00 0.00 179.25 178.23 1s6j h ALA 68 N 1.89 0.79 -3.26 0.00 0.00 -0.09 -3.43 119.26 115.16 1s6j h ALA 68 Ca -0.00 -0.52 -0.66 0.00 0.00 0.00 0.00 54.91 53.72 1s6j h ALA 68 Cb 1.03 -0.08 -0.28 0.00 0.00 0.00 0.00 17.79 18.45 1s6j h ALA 68 CO 0.01 0.70 -0.78 0.34 0.00 0.00 0.00 179.25 179.53 1s6j s ASP 69 N -6.91 3.89 0.14 0.00 -1.08 -0.75 -4.15 116.67 107.81 1s6j s ASP 69 Ca -0.05 -0.38 0.12 0.00 -0.52 0.00 0.00 52.55 51.72 1s6j s ASP 69 Cb 0.12 -1.60 -0.10 0.00 -1.46 0.00 0.00 42.92 39.88 1s6j s ASP 69 CO 0.82 0.13 1.16 -0.29 0.52 0.00 0.00 175.17 177.51 1s6j h ILE 70 N 5.51 1.06 0.00 4.11 -0.00 -1.83 -3.27 117.51 123.09 1s6j h ILE 70 Ca -0.28 -2.63 0.00 0.00 -0.00 0.00 0.00 64.86 61.95 1s6j h ILE 70 Cb 1.20 2.48 0.00 0.00 -0.00 0.00 0.00 36.82 40.51 1s6j h ILE 70 CO 0.56 0.61 0.00 0.47 -0.00 0.00 0.00 178.15 179.78 1s6j n ASP 71 N -3.17 0.00 -3.13 2.19 8.00 -1.26 -4.83 116.55 114.35 1s6j n ASP 71 Ca -0.03 -0.58 -0.21 0.00 0.71 0.00 0.00 54.79 54.67 1s6j n ASP 71 Cb 0.86 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.93 1s6j n ASP 71 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1s6j n LYS 72 N -0.98 -1.29 0.00 -1.24 0.00 -1.24 -4.69 118.16 108.72 1s6j n LYS 72 Ca 0.13 0.07 0.13 0.00 -0.00 0.00 0.00 58.31 58.64 1s6j n LYS 72 Cb 0.06 -3.29 0.39 0.00 -0.00 0.00 0.00 35.03 32.19 1s6j n LYS 72 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1s6j n SER 73 N -1.37 1.54 0.00 -5.58 3.41 -1.26 -4.91 113.62 105.44 1s6j n SER 73 Ca 0.06 -1.34 0.00 0.00 -0.26 0.00 0.00 58.87 57.32 1s6j n SER 73 Cb 0.33 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 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 1.27 2.26 3.11 5.00 0.00 -1.26 -4.99 105.19 110.58 1s6j n GLY 74 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1s6j n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s6j s THR 75 N -2.70 1.68 -0.10 2.61 2.01 -1.26 -3.02 115.64 114.86 1s6j s THR 75 Ca 0.00 -0.77 -0.10 0.00 0.31 0.00 0.00 61.69 61.13 1s6j s THR 75 Cb 0.00 -1.50 -0.05 0.00 0.01 0.00 0.00 72.50 70.97 1s6j s THR 75 CO 0.00 0.48 0.22 -0.51 -0.69 0.00 0.00 174.62 174.12 1s6j s ILE 76 N 0.74 5.36 0.50 1.82 2.07 0.99 -4.92 121.20 127.75 1s6j s ILE 76 Ca -0.11 0.41 0.02 0.00 -1.41 0.00 0.00 60.65 59.55 1s6j s ILE 76 Cb -0.16 -3.51 -0.02 0.00 0.13 0.00 0.00 42.46 38.90 1s6j s ILE 76 CO 0.02 0.57 0.01 -1.81 -1.91 0.00 0.00 174.94 171.81 1s6j s ASP 77 N -0.75 4.06 0.45 4.50 1.11 -1.26 -2.58 116.67 122.21 1s6j s ASP 77 Ca 0.17 -1.63 0.15 0.00 0.18 0.00 0.00 52.55 51.41 1s6j s ASP 77 Cb -0.13 0.45 1.09 0.00 1.07 0.00 0.00 42.92 45.39 1s6j s ASP 77 CO 0.06 -0.82 2.00 0.22 1.18 0.00 0.00 175.17 177.81 1s6j h TYR 78 N 1.40 0.34 -0.74 4.23 3.20 -1.92 0.04 116.97 123.53 1s6j h TYR 78 Ca -0.44 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.41 1s6j h TYR 78 Cb 1.31 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 39.43 1s6j h TYR 78 CO 1.46 0.17 0.35 0.78 -1.64 0.00 0.00 178.16 179.28 1s6j h GLY 79 N 0.33 1.14 1.20 1.82 0.00 -1.95 -2.78 103.07 102.82 1s6j h GLY 79 Ca 0.24 -0.57 -0.31 0.00 0.00 0.00 0.00 47.33 46.69 1s6j h GLY 79 CO -0.06 0.54 -1.56 0.83 0.00 0.00 0.00 176.54 176.29 1s6j h GLU 80 N 1.04 0.24 -0.71 4.80 3.07 -1.67 -3.04 114.58 118.30 1s6j h GLU 80 Ca 0.25 -0.41 0.13 0.00 -0.50 0.00 0.00 59.36 58.83 1s6j h GLU 80 Cb 0.12 0.15 -0.09 0.00 -0.84 0.00 0.00 28.75 28.10 1s6j h GLU 80 CO -0.03 1.10 0.27 0.35 -1.40 0.00 0.00 179.01 179.30 1s6j h PHE 81 N 0.07 0.47 0.15 4.33 3.57 -0.97 -0.90 116.94 123.65 1s6j h PHE 81 Ca -0.25 0.03 -0.28 0.00 3.53 0.00 0.00 57.97 61.00 1s6j h PHE 81 Cb 2.02 -0.10 0.01 0.00 2.79 0.00 0.00 35.95 40.67 1s6j h PHE 81 CO 0.06 0.07 -1.28 0.97 -2.23 0.00 0.00 178.31 175.90 1s6j h ILE 82 N 0.43 1.47 0.00 1.41 6.09 -1.63 -3.23 117.51 122.05 1s6j h ILE 82 Ca 0.38 -3.01 0.00 0.00 -1.37 0.00 0.00 64.86 60.86 1s6j h ILE 82 Cb 0.55 2.96 0.00 0.00 0.47 0.00 0.00 36.82 40.80 1s6j h ILE 82 CO -0.38 0.88 0.00 0.00 -3.07 0.00 0.00 178.15 175.58 1s6j h ALA 83 N 0.52 1.00 -2.74 0.18 0.00 -1.25 -3.44 119.26 113.54 1s6j h ALA 83 Ca -0.15 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.20 1s6j h ALA 83 Cb 2.00 0.00 0.11 0.00 0.00 0.00 0.00 17.79 19.90 1s6j h ALA 83 CO 0.22 0.00 0.65 0.00 0.00 0.00 0.00 179.25 180.11 1s6j n ALA 84 N -1.93 1.86 -2.31 0.00 0.00 -0.41 -4.98 120.51 112.73 1s6j n ALA 84 Ca -0.01 0.35 -0.31 0.00 0.00 0.00 0.00 53.44 53.47 1s6j n ALA 84 Cb 0.14 -2.34 -0.05 0.00 0.00 0.00 0.00 19.45 17.20 1s6j n ALA 84 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1s6j s THR 85 N -1.10 4.85 0.00 0.00 -4.23 -1.26 -4.95 115.64 108.95 1s6j s THR 85 Ca 0.54 0.54 0.00 0.00 -1.18 0.00 0.00 61.69 61.59 1s6j s THR 85 Cb -0.52 -3.66 0.00 0.00 1.34 0.00 0.00 72.50 69.66 1s6j s THR 85 CO 0.63 -0.25 0.00 0.55 -0.54 0.00 0.00 174.62 175.01 1s6j n VAL 86 N -0.62 0.00 0.00 2.29 3.14 -1.26 -5.14 118.33 116.74 1s6j n VAL 86 Ca 0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.39 1s6j n VAL 86 Cb 0.53 0.11 0.00 0.00 -1.06 0.00 0.00 33.84 33.42 1s6j n VAL 86 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37