#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 5.73 0.16 0.26 0.15 -1.26 -5.03 113.70 113.71 1s6j s SER 2 Ca 0.00 -0.33 -0.05 0.00 0.70 0.00 0.00 55.95 56.27 1s6j s SER 2 Cb 0.00 -0.99 0.01 0.00 -1.71 0.00 0.00 66.02 63.33 1s6j s SER 2 CO 0.00 -0.53 1.42 0.28 1.20 0.00 0.00 173.24 175.61 1s6j h SER 3 N 0.88 0.67 -4.31 5.45 0.02 -2.13 -3.44 113.55 110.68 1s6j h SER 3 Ca -0.44 -0.41 -0.54 0.00 -0.84 0.00 0.00 61.79 59.56 1s6j h SER 3 Cb 1.26 -0.20 -0.28 0.00 0.14 0.00 0.00 62.40 63.33 1s6j h SER 3 CO 0.52 1.16 -0.83 -0.83 -1.14 0.00 0.00 176.83 175.70 1s6j s GLY 4 N -4.19 0.92 0.00 -3.77 0.00 -1.26 -5.02 107.32 94.01 1s6j s GLY 4 Ca -0.08 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 43.80 1s6j s GLY 4 CO 0.86 -0.74 0.00 1.42 0.00 0.00 0.00 173.10 174.64 1s6j n HIS 5 N 2.34 0.00 -3.20 1.90 -0.00 -1.26 -4.99 115.22 110.01 1s6j n HIS 5 Ca -0.16 0.00 -0.45 0.00 -0.00 0.00 0.00 57.72 57.11 1s6j n HIS 5 Cb 0.54 0.06 -0.05 0.00 -0.00 0.00 0.00 29.99 30.54 1s6j n HIS 5 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.34 174.84 1s6j s ILE 6 N -1.64 4.99 0.00 1.59 2.07 -1.26 -4.42 121.20 122.52 1s6j s ILE 6 Ca 0.00 -1.16 0.00 0.00 -1.41 0.00 0.00 60.65 58.08 1s6j s ILE 6 Cb 0.00 -4.41 0.00 0.00 0.13 0.00 0.00 42.46 38.18 1s6j s ILE 6 CO 0.00 -0.99 0.00 0.47 -1.91 0.00 0.00 174.94 172.51 1s6j n ASP 7 N 5.86 0.00 -2.84 4.50 8.00 -1.26 -5.06 116.55 125.75 1s6j n ASP 7 Ca -0.11 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.27 1s6j n ASP 7 Cb 0.42 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.54 1s6j n ASP 7 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1s6j n ASP 8 N 0.00 0.54 0.00 -2.24 9.92 -1.26 -4.45 116.55 119.06 1s6j n ASP 8 Ca 0.00 -2.86 0.00 0.00 -0.53 0.00 0.00 54.79 51.40 1s6j n ASP 8 Cb 0.00 -0.18 0.00 0.00 -0.64 0.00 0.00 41.12 40.30 1s6j n ASP 8 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1s6j n ASP 9 N 0.02 0.00 -0.04 -2.24 2.03 -1.26 -4.86 116.55 110.21 1s6j n ASP 9 Ca 0.12 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.43 1s6j n ASP 9 Cb 0.76 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 41.02 1s6j n ASP 9 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1s6j n ASP 10 N -0.25 0.23 -0.01 1.67 2.03 -1.26 -4.12 116.55 114.85 1s6j n ASP 10 Ca 0.00 0.10 0.13 0.00 0.52 0.00 0.00 54.79 55.54 1s6j n ASP 10 Cb 0.00 1.08 0.38 0.00 -0.72 0.00 0.00 41.12 41.86 1s6j n ASP 10 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1s6j n LYS 11 N -2.64 0.02 0.16 -0.67 4.76 -1.26 -3.41 118.16 115.13 1s6j n LYS 11 Ca -0.18 -0.01 0.13 0.00 -2.87 0.00 0.00 58.31 55.38 1s6j n LYS 11 Cb 0.89 -1.50 0.47 0.00 -1.84 0.00 0.00 35.03 33.06 1s6j n LYS 11 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1s6j h HIS 12 N 0.02 0.00 0.00 2.13 2.76 -1.78 -2.44 115.15 115.85 1s6j h HIS 12 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 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 0.00 0.00 -0.12 -1.30 0.00 0.00 177.93 176.51 1s6j n MET 13 N -2.49 0.57 0.01 5.26 0.00 -1.22 -2.73 117.12 116.52 1s6j n MET 13 Ca 0.03 0.03 -0.03 0.00 -0.00 0.00 0.00 57.70 57.73 1s6j n MET 13 Cb 0.33 -1.50 -0.10 0.00 0.00 0.00 0.00 33.22 31.94 1s6j n MET 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1s6j n ALA 14 N -1.14 1.80 0.08 -5.12 0.00 -0.92 -4.07 120.51 111.13 1s6j n ALA 14 Ca 0.15 -0.63 -0.01 0.00 0.00 0.00 0.00 53.44 52.95 1s6j n ALA 14 Cb 0.14 -0.90 -0.05 0.00 0.00 0.00 0.00 19.45 18.64 1s6j n ALA 14 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1s6j h GLU 15 N 0.00 0.00 0.00 0.00 -0.00 -1.68 -3.45 114.58 109.45 1s6j h GLU 15 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.15 1s6j h GLU 15 Cb 1.73 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.48 1s6j h GLU 15 CO 0.05 0.53 0.00 2.89 -0.00 0.00 0.00 179.01 182.48 1s6j n ARG 16 N -3.13 1.75 -1.68 1.06 1.85 -1.22 -4.82 116.66 110.47 1s6j n ARG 16 Ca -0.03 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.39 1s6j n ARG 16 Cb 0.83 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 32.21 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 4.08 -0.80 2.89 2.01 -1.26 -4.92 118.68 120.68 1s6j s LEU 17 Ca 0.00 2.36 -0.03 0.00 0.01 0.00 0.00 54.13 56.47 1s6j s LEU 17 Cb 0.00 -3.52 0.20 0.00 0.01 0.00 0.00 46.19 42.88 1s6j s LEU 17 CO 0.00 -1.36 0.66 -0.94 1.01 0.00 0.00 176.35 175.72 1s6j s SER 18 N 5.68 5.80 0.00 2.29 1.04 -1.26 -4.85 113.70 122.40 1s6j s SER 18 Ca 0.91 -3.33 0.28 0.00 0.48 0.00 0.00 55.95 54.30 1s6j s SER 18 Cb -0.38 -1.92 1.11 0.00 0.10 0.00 0.00 66.02 64.92 1s6j s SER 18 CO 0.39 -0.28 1.83 -0.62 0.98 0.00 0.00 173.24 175.54 1s6j n GLU 19 N 2.88 0.02 0.10 4.02 1.02 -1.26 -3.31 120.64 124.11 1s6j n GLU 19 Ca 0.16 -0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.42 1s6j n GLU 19 Cb 0.38 -1.50 0.44 0.00 -0.02 0.00 0.00 31.44 30.74 1s6j n GLU 19 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1s6j n GLU 20 N -1.49 0.22 0.19 3.49 0.28 -1.26 -3.67 120.64 118.40 1s6j n GLU 20 Ca 0.07 0.23 0.06 0.00 -0.16 0.00 0.00 57.16 57.36 1s6j n GLU 20 Cb 0.34 -1.78 0.33 0.00 1.43 0.00 0.00 31.44 31.75 1s6j n GLU 20 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1s6j h GLU 21 N 0.00 0.00 0.00 3.44 4.39 -1.94 -0.11 114.58 120.36 1s6j h GLU 21 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1s6j h GLU 21 Cb 0.65 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1s6j h GLU 21 CO 0.00 0.00 0.09 0.44 -1.16 0.00 0.00 179.01 178.38 1s6j n ILE 22 N -2.10 1.18 0.33 3.13 -5.35 -1.24 -2.01 119.36 113.29 1s6j n ILE 22 Ca -0.01 0.66 0.21 0.00 -0.27 0.00 0.00 62.75 63.34 1s6j n ILE 22 Cb 0.43 -1.66 1.13 0.00 -1.74 0.00 0.00 39.64 37.80 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 -0.32 3.28 0.00 -1.34 -0.60 103.07 104.08 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 -0.32 0.61 0.00 0.00 0.00 176.54 176.83 1s6j n GLY 24 N -1.15 -0.29 0.33 4.60 0.00 -0.85 -4.20 105.19 103.63 1s6j n GLY 24 Ca -0.03 -0.50 0.20 0.00 0.00 0.00 0.00 46.02 45.69 1s6j n GLY 24 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1s6j h LEU 25 N 1.83 0.00 -2.44 0.99 3.38 -1.30 -1.88 115.31 115.89 1s6j h LEU 25 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s6j h LEU 25 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1s6j h LEU 25 CO 0.00 0.00 0.11 0.11 0.09 0.00 0.00 178.44 178.75 1s6j h LYS 26 N 0.00 0.00 0.00 1.13 1.79 -1.76 -1.25 116.57 116.48 1s6j h LYS 26 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1s6j h LYS 26 Cb 0.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 1s6j h LYS 26 CO -0.00 0.00 -0.10 1.49 -1.08 0.00 0.00 179.45 179.76 1s6j h GLU 27 N 0.00 0.00 0.00 3.15 4.81 -1.68 -3.43 114.58 117.43 1s6j h GLU 27 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1s6j h GLU 27 Cb 0.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1s6j h GLU 27 CO 0.00 0.00 -0.12 -0.07 -0.73 0.00 0.00 179.01 178.09 1s6j h LEU 28 N -0.21 0.00 -0.75 1.64 4.07 -1.70 -3.38 115.31 114.99 1s6j h LEU 28 Ca 0.00 0.00 0.26 0.00 0.08 0.00 0.00 57.88 58.22 1s6j h LEU 28 Cb 0.10 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 41.70 1s6j h LEU 28 CO 0.00 0.18 0.22 0.33 -1.08 0.00 0.00 178.44 178.10 1s6j n PHE 29 N -2.83 0.69 -0.20 1.13 -0.00 -1.07 0.11 117.46 115.29 1s6j n PHE 29 Ca -0.02 0.89 -0.09 0.00 -0.00 0.00 0.00 57.45 58.24 1s6j n PHE 29 Cb 0.06 -1.19 0.02 0.00 -0.00 0.00 0.00 39.48 38.37 1s6j n PHE 29 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.76 178.33 1s6j h LYS 30 N 0.00 0.90 0.00 -4.13 2.10 -1.46 0.75 116.57 114.72 1s6j h LYS 30 Ca 0.55 -0.22 -0.03 0.00 -2.00 0.00 0.00 60.65 58.95 1s6j h LYS 30 Cb 1.33 -0.11 -0.00 0.00 -0.90 0.00 0.00 32.23 32.54 1s6j h LYS 30 CO -0.64 0.85 -0.15 1.98 -2.00 0.00 0.00 179.45 179.49 1s6j h MET 31 N 0.79 0.00 0.00 0.07 4.05 0.59 -2.26 114.93 118.18 1s6j h MET 31 Ca 0.17 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.55 1s6j h MET 31 Cb 0.36 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.15 1s6j h MET 31 CO 0.00 0.15 -1.34 1.51 0.23 0.00 0.00 176.91 177.46 1s6j n ILE 32 N -3.93 0.61 -2.96 1.77 0.13 -0.94 -4.85 119.36 109.19 1s6j n ILE 32 Ca -0.02 -0.57 -0.41 0.00 -1.10 0.00 0.00 62.75 60.65 1s6j n ILE 32 Cb 0.24 -0.34 -0.04 0.00 -0.84 0.00 0.00 39.64 38.65 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 -5.25 6.92 0.25 9.51 2.15 0.22 -4.92 116.67 125.56 1s6j s ASP 33 Ca -0.03 1.12 0.17 0.00 0.43 0.00 0.00 52.55 54.24 1s6j s ASP 33 Cb 0.10 -2.43 0.93 0.00 -0.30 0.00 0.00 42.92 41.22 1s6j s ASP 33 CO 0.82 -0.31 1.52 0.41 -0.17 0.00 0.00 175.17 177.44 1s6j n THR 34 N 4.51 1.24 0.29 1.71 -1.04 -1.26 -0.71 114.28 119.01 1s6j n THR 34 Ca 0.02 0.69 0.09 0.00 -2.04 0.00 0.00 64.05 62.81 1s6j n THR 34 Cb 0.50 -1.69 -0.13 0.00 -1.82 0.00 0.00 70.33 67.19 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 -2.10 0.86 -1.19 8.00 2.03 -1.26 -4.96 116.55 117.94 1s6j n ASP 35 Ca -0.01 -0.33 -0.10 0.00 0.52 0.00 0.00 54.79 54.87 1s6j n ASP 35 Cb 0.03 1.53 -0.04 0.00 -0.72 0.00 0.00 41.12 41.91 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 -1.87 -3.03 0.14 1.67 4.13 0.11 -4.72 115.26 111.68 1s6j n ASN 36 Ca -0.01 0.25 0.12 0.00 1.68 0.00 0.00 54.58 56.62 1s6j n ASN 36 Cb 0.40 -2.80 0.19 0.00 -1.54 0.00 0.00 39.78 36.03 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 -1.85 -3.45 113.55 119.30 1s6j h SER 37 Ca -0.21 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1s6j h SER 37 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1s6j h SER 37 CO 0.31 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.89 1s6j n GLY 38 N 1.21 0.92 2.90 -0.77 0.00 -1.26 -5.02 105.19 103.17 1s6j n GLY 38 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 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 0.49 -0.11 2.61 -4.23 -1.26 -4.82 115.64 106.32 1s6j s THR 39 Ca 0.00 -0.13 -0.04 0.00 -1.18 0.00 0.00 61.69 60.34 1s6j s THR 39 Cb 0.00 -0.50 -0.04 0.00 1.34 0.00 0.00 72.50 73.30 1s6j s THR 39 CO 0.00 0.20 0.05 -0.63 -0.54 0.00 0.00 174.62 173.70 1s6j s ILE 40 N 0.68 4.71 0.15 2.99 1.01 -1.09 -4.79 121.20 124.86 1s6j s ILE 40 Ca -0.09 -0.09 0.11 0.00 0.00 0.00 0.00 60.65 60.58 1s6j s ILE 40 Cb -0.12 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 1s6j s ILE 40 CO 0.00 0.59 -0.26 0.42 0.00 0.00 0.00 174.94 175.69 1s6j s THR 41 N -0.74 2.27 0.31 2.92 -4.23 -1.26 0.15 115.64 115.05 1s6j s THR 41 Ca 0.12 -1.84 0.06 0.00 -1.18 0.00 0.00 61.69 58.84 1s6j s THR 41 Cb -0.12 -2.02 0.33 0.00 1.34 0.00 0.00 72.50 72.03 1s6j s THR 41 CO 0.02 0.01 1.63 0.15 -0.54 0.00 0.00 174.62 175.90 1s6j h PHE 42 N 3.66 0.44 -0.85 3.99 3.57 -1.94 1.42 116.94 127.22 1s6j h PHE 42 Ca -0.49 0.05 0.11 0.00 3.53 0.00 0.00 57.97 61.17 1s6j h PHE 42 Cb 1.18 -0.04 -0.08 0.00 2.79 0.00 0.00 35.95 39.80 1s6j h PHE 42 CO 0.63 -0.26 0.48 0.22 -2.23 0.00 0.00 178.31 177.16 1s6j h ASP 43 N 0.19 0.66 0.86 0.41 1.82 -1.95 -0.33 116.42 118.07 1s6j h ASP 43 Ca 0.62 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 57.32 1s6j h ASP 43 Cb 1.32 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.27 1s6j h ASP 43 CO -0.69 0.35 -0.76 -0.33 -1.61 0.00 0.00 179.24 176.20 1s6j h GLU 44 N 0.77 0.00 0.51 0.28 5.08 0.18 -3.39 114.58 118.01 1s6j h GLU 44 Ca 0.43 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.77 1s6j h GLU 44 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1s6j h GLU 44 CO -0.28 0.00 -0.29 1.25 -1.00 0.00 0.00 179.01 178.69 1s6j h LEU 45 N 0.00 -0.72 -1.71 1.33 5.85 0.33 -2.76 115.31 117.63 1s6j h LEU 45 Ca 0.00 0.04 0.29 0.00 0.84 0.00 0.00 57.88 59.04 1s6j h LEU 45 Cb 0.81 0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.98 1s6j h LEU 45 CO 0.00 -0.46 0.72 0.07 -0.34 0.00 0.00 178.44 178.43 1s6j h LYS 46 N -0.75 0.18 0.00 1.25 2.10 -1.71 -0.63 116.57 117.02 1s6j h LYS 46 Ca -0.07 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 1s6j h LYS 46 Cb 0.59 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 1s6j h LYS 46 CO 0.09 0.12 0.50 -0.44 -2.00 0.00 0.00 179.45 177.71 1s6j h ASP 47 N 0.19 0.00 0.63 7.07 5.19 -1.67 0.61 116.42 128.43 1s6j h ASP 47 Ca 0.54 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.92 1s6j h ASP 47 Cb 1.78 0.00 0.01 0.00 0.18 0.00 0.00 39.33 41.29 1s6j h ASP 47 CO -0.13 0.00 -0.30 1.23 -3.12 0.00 0.00 179.24 176.91 1s6j h GLY 48 N 0.00 -0.89 0.97 2.75 0.00 -1.25 -2.09 103.07 102.57 1s6j h GLY 48 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1s6j h GLY 48 CO 0.00 -0.32 -0.72 1.04 0.00 0.00 0.00 176.54 176.54 1s6j n LEU 49 N -4.83 0.64 0.09 3.11 4.32 -0.60 -3.88 117.00 115.84 1s6j n LEU 49 Ca -0.11 0.12 -0.07 0.00 -0.02 0.00 0.00 56.01 55.94 1s6j n LEU 49 Cb 0.33 -0.17 0.05 0.00 -1.62 0.00 0.00 43.42 42.02 1s6j n LEU 49 CO 0.25 0.00 0.36 0.50 -1.22 0.00 0.00 177.39 177.28 1s6j h LYS 50 N 0.00 0.20 -1.07 3.23 3.11 0.11 -3.11 116.57 119.03 1s6j h LYS 50 Ca 0.00 -0.17 0.29 0.00 -2.81 0.00 0.00 60.65 57.96 1s6j h LYS 50 Cb 0.70 0.04 -0.10 0.00 -1.00 0.00 0.00 32.23 31.87 1s6j h LYS 50 CO 0.00 0.86 0.68 -0.09 -2.81 0.00 0.00 179.45 178.09 1s6j h ARG 51 N 0.13 0.35 0.00 1.90 2.43 -1.48 0.13 114.38 117.84 1s6j h ARG 51 Ca -0.03 -0.02 -0.24 0.00 -0.81 0.00 0.00 59.98 58.88 1s6j h ARG 51 Cb 1.32 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.75 1s6j h ARG 51 CO 0.11 0.23 -1.57 -0.39 -1.51 0.00 0.00 179.97 176.85 1s6j h VAL 52 N 0.36 0.76 -5.52 0.20 -1.51 -1.80 -3.49 116.25 105.24 1s6j h VAL 52 Ca 0.64 -2.48 -0.32 0.00 -1.23 0.00 0.00 66.70 63.30 1s6j h VAL 52 Cb 1.64 2.30 0.16 0.00 -2.13 0.00 0.00 31.29 33.26 1s6j h VAL 52 CO -0.34 0.43 -0.73 0.61 -1.23 0.00 0.00 177.57 176.31 1s6j n GLY 53 N 1.49 -0.35 0.00 5.19 0.00 0.46 -5.00 105.19 106.98 1s6j n GLY 53 Ca -0.14 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.02 0.00 -3.02 1.61 2.88 -1.26 -4.98 113.62 105.82 1s6j n SER 54 Ca -0.24 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.12 1s6j n SER 54 Cb 0.65 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.09 1s6j n SER 54 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1s6j n GLU 55 N 0.00 0.75 -2.60 -1.46 2.13 -1.26 -5.13 120.64 113.07 1s6j n GLU 55 Ca 0.00 -2.66 -0.24 0.00 0.66 0.00 0.00 57.16 54.92 1s6j n GLU 55 Cb 0.00 -1.31 0.12 0.00 0.27 0.00 0.00 31.44 30.52 1s6j n GLU 55 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1s6j s LEU 56 N -1.06 2.93 -0.43 4.31 2.01 -1.26 -5.07 118.68 120.11 1s6j s LEU 56 Ca 0.34 -0.47 -0.02 0.00 0.01 0.00 0.00 54.13 53.99 1s6j s LEU 56 Cb 0.20 -1.76 0.12 0.00 0.01 0.00 0.00 46.19 44.75 1s6j s LEU 56 CO -0.16 -2.00 0.21 -0.04 1.01 0.00 0.00 176.35 175.37 1s6j s MET 57 N -5.20 2.00 0.50 1.70 -1.94 -1.26 -4.92 119.30 110.18 1s6j s MET 57 Ca 0.68 -1.92 0.33 0.00 -1.71 0.00 0.00 55.69 53.07 1s6j s MET 57 Cb -0.04 -3.55 1.79 0.00 2.01 0.00 0.00 34.83 35.04 1s6j s MET 57 CO 0.45 -1.07 2.02 1.49 -0.01 0.00 0.00 175.02 177.91 1s6j h GLU 58 N 7.85 0.00 0.00 2.03 4.81 -2.00 0.34 114.58 127.62 1s6j h GLU 58 Ca -0.11 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1s6j h GLU 58 Cb 1.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.41 1s6j h GLU 58 CO 0.68 0.00 -0.69 0.66 -0.73 0.00 0.00 179.01 178.93 1s6j h SER 59 N 0.00 0.00 0.13 1.04 4.64 -2.02 -3.32 113.55 114.02 1s6j h SER 59 Ca 0.00 -0.09 -0.36 0.00 -0.47 0.00 0.00 61.79 60.86 1s6j h SER 59 Cb 0.04 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1s6j h SER 59 CO 0.00 0.05 -2.00 1.21 -0.87 0.00 0.00 176.83 175.22 1s6j n GLU 60 N -2.47 0.76 0.27 4.77 4.07 0.11 -4.03 120.64 124.12 1s6j n GLU 60 Ca 0.02 0.26 0.14 0.00 -0.06 0.00 0.00 57.16 57.53 1s6j n GLU 60 Cb 0.50 -1.71 0.86 0.00 -0.06 0.00 0.00 31.44 31.03 1s6j n GLU 60 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 1s6j h ILE 61 N 0.07 0.59 -0.10 6.31 2.04 -1.41 0.41 117.51 125.42 1s6j h ILE 61 Ca -0.42 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.28 1s6j h ILE 61 Cb 2.03 0.97 0.01 0.00 -0.74 0.00 0.00 36.82 39.09 1s6j h ILE 61 CO 0.09 0.00 -0.53 0.07 0.00 0.00 0.00 178.15 177.78 1s6j h LYS 62 N 0.00 0.54 0.00 2.37 5.09 -1.70 -1.99 116.57 120.88 1s6j h LYS 62 Ca 0.02 -0.44 -0.08 0.00 0.09 0.00 0.00 60.65 60.24 1s6j h LYS 62 Cb 0.09 0.09 -0.01 0.00 0.10 0.00 0.00 32.23 32.51 1s6j h LYS 62 CO -0.00 1.07 -0.38 0.38 -2.09 0.00 0.00 179.45 178.43 1s6j h ASP 63 N 0.14 0.00 0.87 7.07 3.04 -1.53 -2.61 116.42 123.40 1s6j h ASP 63 Ca -0.04 0.00 -0.08 0.00 -3.24 0.00 0.00 57.03 53.67 1s6j h ASP 63 Cb 1.18 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.45 1s6j h ASP 63 CO 0.11 0.37 -0.39 -0.07 -2.04 0.00 0.00 179.24 177.22 1s6j h LEU 64 N 0.00 0.00 0.20 0.15 3.38 -0.19 -0.40 115.31 118.44 1s6j h LEU 64 Ca -0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 1s6j h LEU 64 Cb 1.29 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.06 1s6j h LEU 64 CO 0.05 0.39 -1.67 -0.03 0.09 0.00 0.00 178.44 177.27 1s6j h MET 65 N 0.00 0.43 0.00 1.13 4.05 -1.26 -3.32 114.93 115.96 1s6j h MET 65 Ca -0.00 -0.73 -0.04 0.00 -0.28 0.00 0.00 59.70 58.64 1s6j h MET 65 Cb 0.94 0.27 -0.01 0.00 -0.80 0.00 0.00 31.60 32.00 1s6j h MET 65 CO 0.05 1.34 -0.20 0.22 0.23 0.00 0.00 176.91 178.55 1s6j h ASP 66 N 0.12 0.00 0.58 1.39 3.58 -1.41 -2.30 116.42 118.37 1s6j h ASP 66 Ca -0.32 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.11 1s6j h ASP 66 Cb 2.12 0.00 0.01 0.00 1.72 0.00 0.00 39.33 43.17 1s6j h ASP 66 CO 0.20 0.20 -0.28 0.00 -2.88 0.00 0.00 179.24 176.49 1s6j h ALA 67 N 1.80 -0.78 0.04 -0.78 0.00 -1.17 -3.33 119.26 115.04 1s6j h ALA 67 Ca -0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1s6j h ALA 67 Cb 0.89 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1s6j h ALA 67 CO 0.03 -0.85 -0.02 0.00 0.00 0.00 0.00 179.25 178.41 1s6j h ALA 68 N -0.64 -0.05 -1.45 0.00 0.00 -1.66 -3.41 119.26 112.06 1s6j h ALA 68 Ca -0.08 -0.30 -0.56 0.00 0.00 0.00 0.00 54.91 53.97 1s6j h ALA 68 Cb 0.65 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.36 1s6j h ALA 68 CO 0.13 -0.21 0.93 0.34 0.00 0.00 0.00 179.25 180.44 1s6j s ASP 69 N -5.76 6.18 0.26 0.00 2.15 -0.87 -4.25 116.67 114.39 1s6j s ASP 69 Ca -0.16 -0.53 0.19 0.00 0.43 0.00 0.00 52.55 52.48 1s6j s ASP 69 Cb 0.00 -2.53 0.08 0.00 -0.30 0.00 0.00 42.92 40.18 1s6j s ASP 69 CO 0.64 -1.72 1.28 -0.29 -0.17 0.00 0.00 175.17 174.90 1s6j h ILE 70 N 6.02 0.38 -0.18 4.11 2.10 -1.79 -3.28 117.51 124.87 1s6j h ILE 70 Ca -0.28 -1.59 0.05 0.00 1.08 0.00 0.00 64.86 64.12 1s6j h ILE 70 Cb 1.06 2.03 -0.01 0.00 -1.09 0.00 0.00 36.82 38.81 1s6j h ILE 70 CO 1.25 0.21 0.23 -0.78 -1.08 0.00 0.00 178.15 177.99 1s6j h ASP 71 N 0.00 0.00 0.00 2.19 3.58 -1.91 -3.44 116.42 116.84 1s6j h ASP 71 Ca -0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1s6j h ASP 71 Cb 1.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.29 1s6j h ASP 71 CO 0.03 0.00 0.00 0.29 -2.88 0.00 0.00 179.24 176.68 1s6j n LYS 72 N -3.63 -0.86 0.00 0.28 5.02 -1.24 -4.77 118.16 112.95 1s6j n LYS 72 Ca 0.02 0.22 0.08 0.00 -2.02 0.00 0.00 58.31 56.60 1s6j n LYS 72 Cb 0.35 -4.41 0.46 0.00 -0.02 0.00 0.00 35.03 31.41 1s6j n LYS 72 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1s6j n SER 73 N -0.43 0.00 0.00 4.39 3.41 -1.26 -4.81 113.62 114.92 1s6j n SER 73 Ca 0.00 -0.56 0.00 0.00 -0.26 0.00 0.00 58.87 58.05 1s6j n SER 73 Cb 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 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 0.04 2.92 3.20 5.00 0.00 -1.26 -4.97 105.19 110.12 1s6j n GLY 74 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.93 2.08 -0.11 2.61 -4.23 -1.26 -3.02 115.64 108.78 1s6j s THR 75 Ca 0.00 -0.99 -0.12 0.00 -1.18 0.00 0.00 61.69 59.39 1s6j s THR 75 Cb 0.00 -1.81 -0.05 0.00 1.34 0.00 0.00 72.50 71.98 1s6j s THR 75 CO 0.00 0.55 0.28 -0.51 -0.54 0.00 0.00 174.62 174.41 1s6j s ILE 76 N 0.58 5.28 0.32 2.99 2.07 0.12 -4.88 121.20 127.68 1s6j s ILE 76 Ca -0.13 0.54 0.10 0.00 -1.41 0.00 0.00 60.65 59.75 1s6j s ILE 76 Cb -0.17 -3.60 -0.05 0.00 0.13 0.00 0.00 42.46 38.77 1s6j s ILE 76 CO 0.03 0.49 -0.08 -1.81 -1.91 0.00 0.00 174.94 171.67 1s6j s ASP 77 N -0.27 3.93 0.45 4.50 1.01 -1.26 -2.68 116.67 122.34 1s6j s ASP 77 Ca 0.18 -1.02 0.12 0.00 0.71 0.00 0.00 52.55 52.54 1s6j s ASP 77 Cb -0.14 -0.45 1.00 0.00 1.01 0.00 0.00 42.92 44.34 1s6j s ASP 77 CO 0.06 -0.12 2.03 0.22 0.21 0.00 0.00 175.17 177.57 1s6j h TYR 78 N 2.01 0.15 -0.46 4.23 3.20 -1.89 -0.26 116.97 123.95 1s6j h TYR 78 Ca -0.42 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.42 1s6j h TYR 78 Cb 1.25 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.45 1s6j h TYR 78 CO 0.75 0.20 0.20 0.78 -1.64 0.00 0.00 178.16 178.45 1s6j h GLY 79 N 0.44 0.73 0.55 1.82 0.00 -1.86 -2.99 103.07 101.76 1s6j h GLY 79 Ca 0.04 -0.39 -0.29 0.00 0.00 0.00 0.00 47.33 46.69 1s6j h GLY 79 CO 0.01 0.36 -1.52 1.05 0.00 0.00 0.00 176.54 176.44 1s6j h GLU 80 N 0.60 0.24 -0.87 4.80 4.11 -1.85 -3.21 114.58 118.41 1s6j h GLU 80 Ca 0.16 -0.41 0.23 0.00 0.07 0.00 0.00 59.36 59.40 1s6j h GLU 80 Cb 0.17 0.15 -0.15 0.00 0.50 0.00 0.00 28.75 29.42 1s6j h GLU 80 CO -0.02 1.20 0.15 0.35 0.07 0.00 0.00 179.01 180.76 1s6j h PHE 81 N -0.26 0.20 0.00 2.06 3.57 -1.13 0.34 116.94 121.72 1s6j h PHE 81 Ca -0.33 0.05 -0.19 0.00 3.53 0.00 0.00 57.97 61.04 1s6j h PHE 81 Cb 1.80 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 40.56 1s6j h PHE 81 CO 0.11 -0.25 -0.88 0.97 -2.23 0.00 0.00 178.31 176.03 1s6j h ILE 82 N 0.15 1.63 0.00 1.41 6.09 -1.69 -3.17 117.51 121.94 1s6j h ILE 82 Ca 0.53 -3.02 -0.00 0.00 -1.37 0.00 0.00 64.86 61.00 1s6j h ILE 82 Cb 1.05 2.63 -0.00 0.00 0.47 0.00 0.00 36.82 40.97 1s6j h ILE 82 CO -0.70 0.86 -0.00 0.00 -3.07 0.00 0.00 178.15 175.24 1s6j h ALA 83 N 1.12 1.06 -2.34 0.18 0.00 -0.35 -3.42 119.26 115.51 1s6j h ALA 83 Ca -0.01 -0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.36 1s6j h ALA 83 Cb 1.56 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.36 1s6j h ALA 83 CO 0.11 0.00 1.09 0.00 0.00 0.00 0.00 179.25 180.45 1s6j s ALA 84 N -4.18 3.63 0.69 0.00 0.00 -0.90 -4.97 121.76 116.02 1s6j s ALA 84 Ca -0.05 1.09 -0.14 0.00 0.00 0.00 0.00 51.96 52.87 1s6j s ALA 84 Cb 0.13 -3.75 0.01 0.00 0.00 0.00 0.00 23.12 19.52 1s6j s ALA 84 CO 0.43 -1.34 1.10 0.95 0.00 0.00 0.00 175.76 176.91 1s6j s THR 85 N 3.68 3.30 -1.61 0.00 -4.23 -1.26 -4.94 115.64 110.57 1s6j s THR 85 Ca 0.76 0.55 0.27 0.00 -1.18 0.00 0.00 61.69 62.10 1s6j s THR 85 Cb -0.37 -3.07 0.31 0.00 1.34 0.00 0.00 72.50 70.71 1s6j s THR 85 CO 0.33 -0.43 1.68 1.33 -0.54 0.00 0.00 174.62 176.99 1s6j n VAL 86 N -2.71 0.00 -0.46 2.29 0.24 -1.26 -5.16 118.33 111.27 1s6j n VAL 86 Ca 0.10 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1s6j n VAL 86 Cb 0.52 0.16 0.00 0.00 -1.47 0.00 0.00 33.84 33.05 1s6j n VAL 86 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26