#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 -0.13 -0.13 0.41 1.04 -1.26 -5.05 113.70 108.59 1s6j s SER 2 Ca 0.00 0.17 0.13 0.00 0.48 0.00 0.00 55.95 56.73 1s6j s SER 2 Cb 0.00 0.33 -0.19 0.00 0.10 0.00 0.00 66.02 66.26 1s6j s SER 2 CO 0.00 -0.19 0.08 -1.54 0.98 0.00 0.00 173.24 172.57 1s6j n SER 3 N 2.35 1.43 -2.41 7.02 3.41 -1.26 -4.86 113.62 119.30 1s6j n SER 3 Ca -0.17 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.41 1s6j n SER 3 Cb 0.57 0.96 0.04 0.00 -0.26 0.00 0.00 64.21 65.52 1s6j n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s6j n GLY 4 N 2.05 0.02 0.01 5.00 0.00 -1.26 -5.13 105.19 105.87 1s6j n GLY 4 Ca -0.21 -0.06 -0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.58 0.00 -1.58 1.61 -0.00 -1.26 -4.78 115.22 108.64 1s6j n HIS 5 Ca -0.15 -0.01 -0.42 0.00 -0.00 0.00 0.00 57.72 57.14 1s6j n HIS 5 Cb 0.69 -0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.64 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 -0.00 0.22 0.00 1.59 2.08 -1.26 -4.62 119.36 117.36 1s6j n ILE 6 Ca -0.00 -0.54 0.00 0.00 0.56 0.00 0.00 62.75 62.77 1s6j n ILE 6 Cb 0.00 -2.56 0.00 0.00 -0.75 0.00 0.00 39.64 36.33 1s6j n ILE 6 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1s6j n ASP 7 N 12.71 0.00 0.01 4.38 -0.08 -1.26 -5.06 116.55 127.25 1s6j n ASP 7 Ca 0.33 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.61 1s6j n ASP 7 Cb 0.46 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.92 1s6j n ASP 7 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1s6j n ASP 8 N -1.92 0.02 -2.68 1.67 5.75 -1.26 -5.04 116.55 113.09 1s6j n ASP 8 Ca 0.00 0.04 -0.05 0.00 -0.01 0.00 0.00 54.79 54.77 1s6j n ASP 8 Cb 0.00 0.02 0.10 0.00 -1.03 0.00 0.00 41.12 40.21 1s6j n ASP 8 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1s6j n ASP 9 N -2.74 -1.58 -0.05 -1.12 5.68 -1.26 -4.98 116.55 110.50 1s6j n ASP 9 Ca 0.00 -2.33 -0.04 0.00 -0.50 0.00 0.00 54.79 51.92 1s6j n ASP 9 Cb 0.14 1.28 -0.01 0.00 -1.14 0.00 0.00 41.12 41.38 1s6j n ASP 9 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1s6j n ASP 10 N 0.72 1.08 0.10 -1.12 9.92 -1.26 -4.43 116.55 121.55 1s6j n ASP 10 Ca -0.01 0.25 0.12 0.00 -0.53 0.00 0.00 54.79 54.62 1s6j n ASP 10 Cb 0.73 -0.65 0.06 0.00 -0.64 0.00 0.00 41.12 40.61 1s6j n ASP 10 CO 0.00 0.00 0.00 0.07 0.13 0.00 0.00 177.20 177.40 1s6j h LYS 11 N -0.57 0.00 0.00 -1.24 5.09 -1.86 -3.30 116.57 114.70 1s6j h LYS 11 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.73 1s6j h LYS 11 Cb 0.50 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.83 1s6j h LYS 11 CO 0.00 0.00 -0.03 0.45 -2.09 0.00 0.00 179.45 177.78 1s6j h HIS 12 N 0.00 0.00 0.00 0.07 3.86 -1.94 -2.43 115.15 114.71 1s6j h HIS 12 Ca 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1s6j h HIS 12 Cb 0.92 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.39 1s6j h HIS 12 CO 0.00 0.03 -0.08 0.52 0.86 0.00 0.00 177.93 179.26 1s6j h MET 13 N 0.00 0.00 0.00 2.45 2.86 -1.77 -1.69 114.93 116.78 1s6j h MET 13 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1s6j h MET 13 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1s6j h MET 13 CO 0.00 0.08 -1.08 0.00 1.06 0.00 0.00 176.91 176.97 1s6j n ALA 14 N -2.52 3.49 -0.31 6.32 0.00 -0.92 -4.04 120.51 122.53 1s6j n ALA 14 Ca -0.03 -0.43 -0.01 0.00 0.00 0.00 0.00 53.44 52.97 1s6j n ALA 14 Cb 0.15 -0.94 0.23 0.00 0.00 0.00 0.00 19.45 18.89 1s6j n ALA 14 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1s6j n GLU 15 N -1.93 3.11 -2.61 0.00 -0.58 -0.64 -4.80 120.64 113.19 1s6j n GLU 15 Ca 0.02 -2.05 -0.42 0.00 -0.42 0.00 0.00 57.16 54.28 1s6j n GLU 15 Cb 0.43 -1.95 -0.01 0.00 -0.57 0.00 0.00 31.44 29.35 1s6j n GLU 15 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1s6j s ARG 16 N -2.16 3.86 1.14 3.49 0.52 -1.17 -4.99 118.95 119.64 1s6j s ARG 16 Ca 0.36 -1.76 -0.13 0.00 -0.52 0.00 0.00 55.73 53.68 1s6j s ARG 16 Cb 0.29 -5.43 0.27 0.00 0.52 0.00 0.00 34.95 30.59 1s6j s ARG 16 CO 0.10 -2.20 1.04 -0.48 0.02 0.00 0.00 175.30 173.78 1s6j s LEU 17 N 4.23 0.91 0.00 2.53 0.05 -1.26 -5.07 118.68 120.07 1s6j s LEU 17 Ca 0.50 1.40 0.00 0.00 0.05 0.00 0.00 54.13 56.08 1s6j s LEU 17 Cb 0.02 -3.35 0.00 0.00 -2.05 0.00 0.00 46.19 40.81 1s6j s LEU 17 CO 0.01 -4.02 0.00 -0.24 -0.55 0.00 0.00 176.35 171.56 1s6j n SER 18 N -4.79 0.12 0.15 1.48 2.88 -1.26 -5.00 113.62 107.21 1s6j n SER 18 Ca 0.03 -0.55 0.19 0.00 -1.33 0.00 0.00 58.87 57.21 1s6j n SER 18 Cb 0.55 0.00 0.71 0.00 -0.75 0.00 0.00 64.21 64.72 1s6j n SER 18 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1s6j h GLU 19 N 0.00 0.00 -0.12 -1.46 5.08 -1.97 0.49 114.58 116.60 1s6j h GLU 19 Ca 0.00 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1s6j h GLU 19 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1s6j h GLU 19 CO 0.00 0.00 0.24 1.49 -1.00 0.00 0.00 179.01 179.74 1s6j h GLU 20 N 0.00 0.00 0.00 2.33 4.57 -2.00 -1.23 114.58 118.26 1s6j h GLU 20 Ca 0.15 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1s6j h GLU 20 Cb 1.15 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 1s6j h GLU 20 CO -0.00 0.00 -0.77 -1.91 -1.18 0.00 0.00 179.01 175.15 1s6j n GLU 21 N -3.37 1.50 0.19 1.92 2.13 0.07 -2.65 120.64 120.42 1s6j n GLU 21 Ca 0.00 0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.90 1s6j n GLU 21 Cb 0.33 -0.88 0.30 0.00 0.27 0.00 0.00 31.44 31.46 1s6j n GLU 21 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1s6j h ILE 22 N 0.00 0.63 0.15 6.31 1.08 -0.95 -3.03 117.51 121.70 1s6j h ILE 22 Ca 0.00 -1.47 0.00 0.00 -0.39 0.00 0.00 64.86 63.01 1s6j h ILE 22 Cb 0.05 1.99 -0.03 0.00 -3.07 0.00 0.00 36.82 35.76 1s6j h ILE 22 CO 0.00 0.30 -0.37 1.23 -0.69 0.00 0.00 178.15 178.61 1s6j h GLY 23 N 2.64 -1.16 2.00 5.37 0.00 -1.50 -2.70 103.07 107.72 1s6j h GLY 23 Ca -0.00 0.59 0.00 0.00 0.00 0.00 0.00 47.33 47.91 1s6j h GLY 23 CO 0.04 -0.33 0.00 -1.33 0.00 0.00 0.00 176.54 174.92 1s6j h GLY 24 N -0.58 0.00 1.39 4.60 0.00 -1.85 -3.24 103.07 103.39 1s6j h GLY 24 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.34 1s6j h GLY 24 CO -0.16 0.00 0.28 -2.00 0.00 0.00 0.00 176.54 174.65 1s6j h LEU 25 N 0.00 0.00 0.08 3.11 5.85 -1.35 -1.23 115.31 121.77 1s6j h LEU 25 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1s6j h LEU 25 Cb 0.83 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1s6j h LEU 25 CO 0.00 0.00 -0.04 0.50 -0.34 0.00 0.00 178.44 178.56 1s6j h LYS 26 N 0.00 -0.10 0.00 1.25 1.63 -1.58 -3.18 116.57 114.59 1s6j h LYS 26 Ca 0.05 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1s6j h LYS 26 Cb 0.60 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.25 1s6j h LYS 26 CO -0.00 -0.07 -0.10 1.49 -3.45 0.00 0.00 179.45 177.32 1s6j h GLU 27 N -0.26 0.00 -0.32 1.90 4.57 -1.77 -3.35 114.58 115.35 1s6j h GLU 27 Ca -0.01 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.20 1s6j h GLU 27 Cb 0.08 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.62 1s6j h GLU 27 CO 0.02 0.00 -0.36 -0.07 -1.18 0.00 0.00 179.01 177.42 1s6j h LEU 28 N -0.23 -1.21 0.45 1.64 3.38 -1.70 -1.96 115.31 115.69 1s6j h LEU 28 Ca 0.00 0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1s6j h LEU 28 Cb 0.10 0.50 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1s6j h LEU 28 CO 0.00 -0.24 -0.24 -0.26 0.09 0.00 0.00 178.44 177.80 1s6j h PHE 29 N -0.21 -0.62 -1.74 1.13 -1.00 -1.45 0.11 116.94 113.17 1s6j h PHE 29 Ca 0.06 -0.01 0.51 0.00 2.81 0.00 0.00 57.97 61.34 1s6j h PHE 29 Cb 0.35 0.21 -0.08 0.00 3.61 0.00 0.00 35.95 40.04 1s6j h PHE 29 CO -0.74 -0.37 1.24 0.87 -1.61 0.00 0.00 178.31 177.70 1s6j h LYS 30 N -0.63 0.01 0.02 1.51 1.57 -1.55 1.18 116.57 118.68 1s6j h LYS 30 Ca -0.06 -0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.42 1s6j h LYS 30 Cb 0.49 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.76 1s6j h LYS 30 CO 0.09 0.01 -1.73 1.98 -0.57 0.00 0.00 179.45 179.22 1s6j h MET 31 N 0.01 0.05 0.00 3.15 4.05 -1.11 -3.43 114.93 117.65 1s6j h MET 31 Ca 0.85 -0.08 0.00 0.00 -0.28 0.00 0.00 59.70 60.19 1s6j h MET 31 Cb 3.33 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 34.16 1s6j h MET 31 CO -0.07 0.63 -0.32 -0.89 0.23 0.00 0.00 176.91 176.49 1s6j n ILE 32 N -3.13 0.68 -1.49 1.77 2.08 0.26 -4.83 119.36 114.69 1s6j n ILE 32 Ca -0.19 0.35 -0.42 0.00 0.56 0.00 0.00 62.75 63.06 1s6j n ILE 32 Cb 1.05 -1.91 -0.09 0.00 -0.75 0.00 0.00 39.64 37.93 1s6j n ILE 32 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1s6j n ASP 33 N -3.38 1.35 0.19 4.38 -0.08 0.34 -4.70 116.55 114.65 1s6j n ASP 33 Ca -0.05 0.02 0.13 0.00 -1.51 0.00 0.00 54.79 53.38 1s6j n ASP 33 Cb 0.17 -1.21 0.70 0.00 2.34 0.00 0.00 41.12 43.12 1s6j n ASP 33 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1s6j h THR 34 N 7.68 0.00 0.00 5.18 2.02 -1.82 0.19 112.91 126.15 1s6j h THR 34 Ca -0.16 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1s6j h THR 34 Cb 1.30 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 1s6j h THR 34 CO 1.23 0.00 -1.74 0.47 0.37 0.00 0.00 175.52 175.84 1s6j n ASP 35 N -2.40 0.36 -1.03 4.18 8.00 -1.26 -4.94 116.55 119.46 1s6j n ASP 35 Ca -0.02 -0.22 -0.09 0.00 0.71 0.00 0.00 54.79 55.18 1s6j n ASP 35 Cb 0.04 1.75 -0.04 0.00 -0.02 0.00 0.00 41.12 42.85 1s6j n ASP 35 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1s6j n ASN 36 N -2.07 -3.11 0.16 -2.24 4.13 0.65 -4.69 115.26 108.10 1s6j n ASN 36 Ca -0.02 0.22 0.13 0.00 1.68 0.00 0.00 54.58 56.59 1s6j n ASN 36 Cb 0.50 -2.74 0.54 0.00 -1.54 0.00 0.00 39.78 36.53 1s6j n ASN 36 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1s6j h SER 37 N 0.00 0.00 0.00 6.41 0.02 -1.92 -3.46 113.55 114.60 1s6j h SER 37 Ca -0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1s6j h SER 37 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 1s6j h SER 37 CO 0.27 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.57 1s6j n GLY 38 N -0.01 0.73 2.85 -3.77 0.00 -1.26 -5.07 105.19 98.65 1s6j n GLY 38 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 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 0.06 -0.13 2.61 -4.23 -1.26 -4.78 115.64 105.92 1s6j s THR 39 Ca 0.00 0.03 -0.05 0.00 -1.18 0.00 0.00 61.69 60.49 1s6j s THR 39 Cb 0.00 -0.10 -0.04 0.00 1.34 0.00 0.00 72.50 73.70 1s6j s THR 39 CO 0.00 0.05 0.06 -0.63 -0.54 0.00 0.00 174.62 173.56 1s6j s ILE 40 N 0.35 4.77 0.18 2.99 1.01 -1.08 -4.83 121.20 124.60 1s6j s ILE 40 Ca -0.03 -0.06 0.04 0.00 0.00 0.00 0.00 60.65 60.60 1s6j s ILE 40 Cb -0.05 -3.08 -0.05 0.00 0.01 0.00 0.00 42.46 39.30 1s6j s ILE 40 CO -0.01 0.56 -0.06 -0.89 0.00 0.00 0.00 174.94 174.54 1s6j s THR 41 N -0.49 1.08 0.49 2.92 2.01 -1.26 -0.94 115.64 119.45 1s6j s THR 41 Ca 0.10 -2.04 0.29 0.00 0.31 0.00 0.00 61.69 60.34 1s6j s THR 41 Cb -0.12 -2.06 0.48 0.00 0.01 0.00 0.00 72.50 70.82 1s6j s THR 41 CO 0.02 -0.57 1.82 0.15 -0.69 0.00 0.00 174.62 175.35 1s6j h PHE 42 N 2.66 0.23 0.58 4.92 3.57 -1.95 1.16 116.94 128.10 1s6j h PHE 42 Ca -0.37 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.11 1s6j h PHE 42 Cb 1.20 -0.07 0.01 0.00 2.79 0.00 0.00 35.95 39.88 1s6j h PHE 42 CO 0.61 0.02 -0.28 0.22 -2.23 0.00 0.00 178.31 176.66 1s6j h ASP 43 N 0.14 -0.66 1.35 0.41 1.82 -1.96 -3.11 116.42 114.41 1s6j h ASP 43 Ca 0.54 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 57.15 1s6j h ASP 43 Cb 1.85 0.17 0.00 0.00 0.68 0.00 0.00 39.33 42.03 1s6j h ASP 43 CO -0.10 -0.28 0.00 1.05 -1.61 0.00 0.00 179.24 178.29 1s6j h GLU 44 N -1.11 0.00 0.16 0.28 4.11 -1.78 -3.32 114.58 112.92 1s6j h GLU 44 Ca -0.08 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.34 1s6j h GLU 44 Cb 0.65 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1s6j h GLU 44 CO 0.13 0.00 -0.15 1.25 0.07 0.00 0.00 179.01 180.31 1s6j h LEU 45 N 0.00 -0.40 -1.15 3.06 5.85 0.14 -2.98 115.31 119.83 1s6j h LEU 45 Ca 0.00 0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.87 1s6j h LEU 45 Cb 0.67 0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.76 1s6j h LEU 45 CO 0.00 -0.20 0.60 0.07 -0.34 0.00 0.00 178.44 178.57 1s6j h LYS 46 N -0.31 0.85 0.00 1.25 2.10 -1.66 -1.94 116.57 116.86 1s6j h LYS 46 Ca -0.02 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 1s6j h LYS 46 Cb 0.26 -0.19 0.00 0.00 -0.90 0.00 0.00 32.23 31.40 1s6j h LYS 46 CO -0.01 0.56 0.52 -0.44 -2.00 0.00 0.00 179.45 178.08 1s6j h ASP 47 N 0.88 0.00 0.00 7.07 3.32 -1.62 0.71 116.42 126.78 1s6j h ASP 47 Ca 0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.50 1s6j h ASP 47 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1s6j h ASP 47 CO -0.22 0.00 -0.32 1.23 -1.72 0.00 0.00 179.24 178.21 1s6j h GLY 48 N 0.00 0.00 1.47 2.75 0.00 -1.43 -3.16 103.07 102.71 1s6j h GLY 48 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1s6j h GLY 48 CO 0.00 0.00 -0.64 1.41 0.00 0.00 0.00 176.54 177.31 1s6j h LEU 49 N -0.97 0.00 0.00 3.11 3.38 -1.57 -3.26 115.31 116.00 1s6j h LEU 49 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s6j h LEU 49 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1s6j h LEU 49 CO 0.00 0.14 -0.51 0.11 0.09 0.00 0.00 178.44 178.26 1s6j h LYS 50 N 0.00 0.00 -1.28 1.13 6.56 0.20 -3.35 116.57 119.83 1s6j h LYS 50 Ca -0.02 0.00 0.41 0.00 -1.06 0.00 0.00 60.65 59.98 1s6j h LYS 50 Cb 1.12 0.00 -0.12 0.00 -0.57 0.00 0.00 32.23 32.66 1s6j h LYS 50 CO 0.01 0.00 0.83 -0.09 -2.06 0.00 0.00 179.45 178.14 1s6j h ARG 51 N 0.00 0.13 0.00 3.15 1.12 -1.59 0.43 114.38 117.61 1s6j h ARG 51 Ca 0.00 -0.01 -0.08 0.00 -1.11 0.00 0.00 59.98 58.78 1s6j h ARG 51 Cb 0.76 -0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 30.67 1s6j h ARG 51 CO 0.00 0.08 -2.02 1.33 -3.11 0.00 0.00 179.97 176.25 1s6j n VAL 52 N -4.67 0.31 -3.50 0.20 0.24 -1.26 -5.02 118.33 104.64 1s6j n VAL 52 Ca 0.35 -0.55 -0.19 0.00 -2.04 0.00 0.00 64.34 61.92 1s6j n VAL 52 Cb 1.35 -0.09 0.08 0.00 -1.47 0.00 0.00 33.84 33.70 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 1.46 -0.38 0.00 7.63 0.00 0.15 -4.98 105.19 109.06 1s6j n GLY 53 Ca -0.10 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.10 0.00 -0.00 1.61 2.88 -1.26 -4.82 113.62 108.93 1s6j n SER 54 Ca -0.24 0.07 0.03 0.00 -1.33 0.00 0.00 58.87 57.39 1s6j n SER 54 Cb 0.65 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.07 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 -0.30 2.16 -1.49 -1.46 0.00 -1.26 -5.05 120.64 113.24 1s6j n GLU 55 Ca 0.00 -0.03 -0.39 0.00 0.00 0.00 0.00 57.16 56.74 1s6j n GLU 55 Cb 0.00 -0.98 0.03 0.00 0.00 0.00 0.00 31.44 30.49 1s6j n GLU 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1s6j n LEU 56 N -1.47 1.04 -4.11 4.31 7.99 -1.26 -5.00 117.00 118.50 1s6j n LEU 56 Ca -0.00 0.80 -0.26 0.00 -0.01 0.00 0.00 56.01 56.53 1s6j n LEU 56 Cb 0.12 -1.20 -0.16 0.00 -0.11 0.00 0.00 43.42 42.07 1s6j n LEU 56 CO 0.11 -2.79 -0.50 -0.32 -1.51 0.00 0.00 177.39 172.39 1s6j s MET 57 N -2.04 1.94 0.00 3.23 -2.45 -1.26 -4.99 119.30 113.73 1s6j s MET 57 Ca 0.68 -0.58 0.00 0.00 -1.25 0.00 0.00 55.69 54.54 1s6j s MET 57 Cb -0.48 -1.61 0.00 0.00 1.25 0.00 0.00 34.83 33.99 1s6j s MET 57 CO 0.55 0.16 0.77 -1.91 1.05 0.00 0.00 175.02 175.63 1s6j n GLU 58 N 3.43 0.00 0.05 4.11 2.13 -1.26 -0.68 120.64 128.42 1s6j n GLU 58 Ca -0.20 0.27 -0.22 0.00 0.66 0.00 0.00 57.16 57.67 1s6j n GLU 58 Cb 0.53 -1.71 -0.15 0.00 0.27 0.00 0.00 31.44 30.38 1s6j n GLU 58 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1s6j h SER 59 N 0.00 0.55 0.33 4.31 4.64 -2.01 -3.34 113.55 118.02 1s6j h SER 59 Ca 0.00 -0.91 -0.02 0.00 -0.47 0.00 0.00 61.79 60.38 1s6j h SER 59 Cb 0.43 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1s6j h SER 59 CO 0.00 1.71 -0.11 -0.08 -0.87 0.00 0.00 176.83 177.48 1s6j h GLU 60 N -0.05 0.00 0.00 4.77 4.81 -1.32 -2.13 114.58 120.66 1s6j h GLU 60 Ca -0.32 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.90 1s6j h GLU 60 Cb 1.97 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.35 1s6j h GLU 60 CO 0.14 0.11 -0.07 0.82 -0.73 0.00 0.00 179.01 179.28 1s6j h ILE 61 N 0.00 0.51 0.27 2.32 2.04 -1.67 0.43 117.51 121.41 1s6j h ILE 61 Ca -0.00 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1s6j h ILE 61 Cb 0.31 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1s6j h ILE 61 CO 0.01 0.07 -0.13 0.11 0.00 0.00 0.00 178.15 178.22 1s6j h LYS 62 N 0.00 -0.35 0.00 2.37 1.79 -1.56 0.19 116.57 119.00 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 0.21 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1s6j h LYS 62 CO 0.01 -0.23 0.02 0.22 -1.08 0.00 0.00 179.45 178.39 1s6j h ASP 63 N -0.68 0.00 0.11 0.86 1.82 -1.65 0.36 116.42 117.24 1s6j h ASP 63 Ca -0.04 0.00 -0.16 0.00 -0.39 0.00 0.00 57.03 56.45 1s6j h ASP 63 Cb 0.28 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.30 1s6j h ASP 63 CO 0.06 0.00 -0.70 0.25 -1.61 0.00 0.00 179.24 177.24 1s6j h LEU 64 N 0.00 0.36 0.00 2.28 5.85 -0.77 -3.25 115.31 119.78 1s6j h LEU 64 Ca 0.00 -0.95 -0.08 0.00 0.84 0.00 0.00 57.88 57.69 1s6j h LEU 64 Cb 0.05 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1s6j h LEU 64 CO 0.00 1.33 -0.67 -0.03 -0.34 0.00 0.00 178.44 178.73 1s6j h MET 65 N -0.51 0.00 -0.97 1.25 4.05 0.52 -3.04 114.93 116.24 1s6j h MET 65 Ca -0.13 0.00 0.20 0.00 -0.28 0.00 0.00 59.70 59.49 1s6j h MET 65 Cb 1.52 0.00 -0.11 0.00 -0.80 0.00 0.00 31.60 32.21 1s6j h MET 65 CO 0.11 0.42 0.56 0.22 0.23 0.00 0.00 176.91 178.45 1s6j h ASP 66 N -1.00 0.67 1.47 1.39 1.82 -0.54 0.30 116.42 120.53 1s6j h ASP 66 Ca -0.12 0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1s6j h ASP 66 Cb 0.76 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.77 1s6j h ASP 66 CO -0.07 0.20 -0.27 0.00 -1.61 0.00 0.00 179.24 177.49 1s6j h ALA 67 N 1.66 0.85 0.59 -0.78 0.00 -1.66 -3.35 119.26 116.56 1s6j h ALA 67 Ca 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.45 1s6j h ALA 67 Cb 0.95 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.74 1s6j h ALA 67 CO -0.42 0.00 -0.28 0.00 0.00 0.00 0.00 179.25 178.55 1s6j h ALA 68 N 2.26 -0.79 -3.23 0.00 0.00 -0.28 -3.42 119.26 113.80 1s6j h ALA 68 Ca 0.00 -0.20 -0.64 0.00 0.00 0.00 0.00 54.91 54.07 1s6j h ALA 68 Cb 0.87 0.31 -0.24 0.00 0.00 0.00 0.00 17.79 18.73 1s6j h ALA 68 CO 0.00 -0.88 -0.69 0.16 0.00 0.00 0.00 179.25 177.84 1s6j s ASP 69 N -4.58 4.59 0.15 0.00 -4.77 -1.10 -4.70 116.67 106.26 1s6j s ASP 69 Ca -0.16 -0.22 0.25 0.00 -3.30 0.00 0.00 52.55 49.13 1s6j s ASP 69 Cb 0.03 -1.75 0.63 0.00 -1.09 0.00 0.00 42.92 40.73 1s6j s ASP 69 CO 0.57 0.12 1.58 0.00 0.70 0.00 0.00 175.17 178.14 1s6j n ILE 70 N 3.83 0.44 0.33 2.11 3.06 -1.26 -3.54 119.36 124.33 1s6j n ILE 70 Ca -0.18 -0.25 0.21 0.00 -2.50 0.00 0.00 62.75 60.03 1s6j n ILE 70 Cb 0.52 -0.36 1.14 0.00 0.54 0.00 0.00 39.64 41.48 1s6j n ILE 70 CO 0.00 0.00 0.00 -0.78 -2.50 0.00 0.00 176.55 173.27 1s6j h ASP 71 N 0.00 0.00 -0.57 9.51 3.58 -1.93 -3.44 116.42 123.57 1s6j h ASP 71 Ca 0.00 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.24 1s6j h ASP 71 Cb 0.72 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 41.69 1s6j h ASP 71 CO 0.00 0.00 -0.19 0.29 -2.88 0.00 0.00 179.24 176.46 1s6j n LYS 72 N -3.15 -1.70 0.00 0.28 4.76 -1.23 -4.78 118.16 112.35 1s6j n LYS 72 Ca -0.03 0.81 0.13 0.00 -2.87 0.00 0.00 58.31 56.36 1s6j n LYS 72 Cb 0.12 -5.16 0.76 0.00 -1.84 0.00 0.00 35.03 28.91 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 -0.95 0.00 0.00 4.39 3.41 -1.26 -4.85 113.62 114.37 1s6j n SER 73 Ca -0.10 -0.93 0.00 0.00 -0.26 0.00 0.00 58.87 57.58 1s6j n SER 73 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 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 0.71 1.52 2.81 5.00 0.00 -1.26 -4.97 105.19 109.01 1s6j n GLY 74 Ca 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.43 -0.04 -0.01 2.61 -4.23 -1.26 -4.40 115.64 104.88 1s6j s THR 75 Ca 0.00 0.16 -0.13 0.00 -1.18 0.00 0.00 61.69 60.54 1s6j s THR 75 Cb 0.00 -0.08 -0.05 0.00 1.34 0.00 0.00 72.50 73.70 1s6j s THR 75 CO 0.00 0.07 0.36 -0.51 -0.54 0.00 0.00 174.62 174.00 1s6j s ILE 76 N 0.82 5.12 0.38 2.99 2.07 -0.12 -4.90 121.20 127.56 1s6j s ILE 76 Ca -0.07 0.68 0.08 0.00 -1.41 0.00 0.00 60.65 59.93 1s6j s ILE 76 Cb -0.10 -3.65 -0.04 0.00 0.13 0.00 0.00 42.46 38.81 1s6j s ILE 76 CO -0.03 0.55 0.23 -1.81 -1.91 0.00 0.00 174.94 171.97 1s6j s ASP 77 N -1.15 4.73 0.22 4.50 1.01 -1.26 -2.62 116.67 122.10 1s6j s ASP 77 Ca 0.23 -0.85 0.05 0.00 0.71 0.00 0.00 52.55 52.69 1s6j s ASP 77 Cb -0.16 -0.62 0.19 0.00 1.01 0.00 0.00 42.92 43.34 1s6j s ASP 77 CO 0.12 -0.47 1.51 0.22 0.21 0.00 0.00 175.17 176.76 1s6j h TYR 78 N 1.35 0.26 0.00 4.23 3.20 -1.84 -1.79 116.97 122.37 1s6j h TYR 78 Ca -0.43 -0.11 -0.10 0.00 3.14 0.00 0.00 58.73 61.24 1s6j h TYR 78 Cb 1.26 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.47 1s6j h TYR 78 CO 0.59 0.81 -0.45 0.78 -1.64 0.00 0.00 178.16 178.25 1s6j h GLY 79 N 1.65 0.00 0.50 1.82 0.00 -1.85 -2.85 103.07 102.34 1s6j h GLY 79 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.00 1s6j h GLY 79 CO 0.10 0.00 -1.65 -2.09 0.00 0.00 0.00 176.54 172.90 1s6j h GLU 80 N 0.00 0.22 -0.78 4.80 4.81 -1.88 -3.29 114.58 118.47 1s6j h GLU 80 Ca -0.00 -0.37 0.05 0.00 -0.13 0.00 0.00 59.36 58.91 1s6j h GLU 80 Cb 1.06 0.14 -0.06 0.00 0.63 0.00 0.00 28.75 30.52 1s6j h GLU 80 CO 0.06 1.18 0.47 0.35 -0.73 0.00 0.00 179.01 180.34 1s6j h PHE 81 N -0.25 0.87 -0.05 0.92 3.57 -1.40 -1.57 116.94 119.04 1s6j h PHE 81 Ca -0.37 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.09 1s6j h PHE 81 Cb 1.81 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 40.26 1s6j h PHE 81 CO 0.10 0.45 -0.29 0.97 -2.23 0.00 0.00 178.31 177.31 1s6j h ILE 82 N 0.88 1.23 -0.08 1.41 2.10 -1.67 -2.66 117.51 118.72 1s6j h ILE 82 Ca 0.34 -1.09 -0.01 0.00 1.08 0.00 0.00 64.86 65.18 1s6j h ILE 82 Cb 0.14 1.52 -0.01 0.00 -1.09 0.00 0.00 36.82 37.39 1s6j h ILE 82 CO -0.16 0.32 0.02 0.00 -1.08 0.00 0.00 178.15 177.24 1s6j h ALA 83 N 1.63 1.88 -3.48 0.18 0.00 -1.35 -3.37 119.26 114.75 1s6j h ALA 83 Ca 0.01 -0.04 -0.61 0.00 0.00 0.00 0.00 54.91 54.27 1s6j h ALA 83 Cb 0.56 -0.04 -0.39 0.00 0.00 0.00 0.00 17.79 17.92 1s6j h ALA 83 CO 0.04 0.10 -0.76 0.00 0.00 0.00 0.00 179.25 178.63 1s6j s ALA 84 N -5.07 1.97 0.00 0.00 0.00 -1.00 -4.88 121.76 112.78 1s6j s ALA 84 Ca -0.05 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.24 1s6j s ALA 84 Cb 0.17 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.70 1s6j s ALA 84 CO 0.69 -1.44 0.00 -2.37 0.00 0.00 0.00 175.76 172.63 1s6j n THR 85 N 4.66 0.00 -2.76 0.00 5.66 -1.26 -4.86 114.28 115.72 1s6j n THR 85 Ca -0.05 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.93 1s6j n THR 85 Cb 0.43 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.20 1s6j n THR 85 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1s6j n VAL 86 N -0.89-10.81 -0.39 1.08 0.31 -1.26 -5.20 118.33 101.18 1s6j n VAL 86 Ca 0.00 1.89 0.00 0.00 -0.01 0.00 0.00 64.34 66.22 1s6j n VAL 86 Cb 0.00 -6.26 0.00 0.00 -0.91 0.00 0.00 33.84 26.67 1s6j n VAL 86 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08