#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k7j n ALA 2 N 0.00 1.99 -1.64 4.61 0.00 -1.26 -4.99 120.51 119.23 2k7j n ALA 2 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 2k7j n ALA 2 Cb 0.00 0.43 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 2k7j n ALA 2 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2k7j s GLU 3 N -1.97 2.83 0.11 0.00 0.41 -1.26 -4.64 118.70 114.19 2k7j s GLU 3 Ca 0.00 1.76 -0.11 0.00 -0.41 0.00 0.00 54.97 56.21 2k7j s GLU 3 Cb 0.00 -4.42 0.01 0.00 -1.78 0.00 0.00 34.13 27.94 2k7j s GLU 3 CO 0.00 -2.44 0.26 0.20 -0.49 0.00 0.00 175.26 172.79 2k7j s GLY 4 N 9.23 0.07 -0.34 -1.39 0.00 -1.26 -5.05 107.32 108.57 2k7j s GLY 4 Ca 0.97 -0.53 0.06 0.00 0.00 0.00 0.00 44.72 45.23 2k7j s GLY 4 CO 0.32 -0.68 1.41 1.16 0.00 0.00 0.00 173.10 175.31 2k7j n ASN 5 N -0.13 4.23 -4.56 1.64 6.94 -1.26 -4.63 115.26 117.49 2k7j n ASN 5 Ca -0.14 -3.79 -0.43 0.00 -0.02 0.00 0.00 54.58 50.20 2k7j n ASN 5 Cb 0.63 -0.56 -0.05 0.00 -2.36 0.00 0.00 39.78 37.45 2k7j n ASN 5 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2k7j s THR 6 N -4.07 4.59 0.10 5.53 2.01 -1.26 -5.00 115.64 117.54 2k7j s THR 6 Ca 0.50 0.66 -0.13 0.00 0.31 0.00 0.00 61.69 63.03 2k7j s THR 6 Cb 0.42 -4.35 -0.06 0.00 0.01 0.00 0.00 72.50 68.52 2k7j s THR 6 CO 0.01 -0.72 0.48 -0.76 -0.69 0.00 0.00 174.62 172.94 2k7j s LEU 7 N 3.46 4.37 0.00 4.42 1.43 -1.26 -0.27 118.68 130.82 2k7j s LEU 7 Ca 0.33 0.96 0.01 0.00 -1.03 0.00 0.00 54.13 54.40 2k7j s LEU 7 Cb -0.11 -3.06 -0.00 0.00 0.03 0.00 0.00 46.19 43.04 2k7j s LEU 7 CO 0.23 0.16 0.31 2.30 0.23 0.00 0.00 176.35 179.58 2k7j n ILE 8 N 1.00 0.00 -3.28 -0.59 -5.35 -0.95 -2.70 119.36 107.49 2k7j n ILE 8 Ca -0.08 -1.41 -0.05 0.00 -0.27 0.00 0.00 62.75 60.94 2k7j n ILE 8 Cb 0.52 0.81 -0.05 0.00 -1.74 0.00 0.00 39.64 39.18 2k7j n ILE 8 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2k7j s SER 9 N -2.59 -0.20 -0.09 7.28 0.15 0.85 -3.30 113.70 115.80 2k7j s SER 9 Ca 0.23 0.12 0.01 0.00 0.70 0.00 0.00 55.95 57.01 2k7j s SER 9 Cb -0.00 1.40 0.02 0.00 -1.71 0.00 0.00 66.02 65.73 2k7j s SER 9 CO 0.16 -0.31 -0.10 0.54 1.20 0.00 0.00 173.24 174.73 2k7j s VAL 10 N 2.63 1.12 0.12 4.45 0.11 -1.26 -1.37 120.40 126.20 2k7j s VAL 10 Ca 0.13 -0.40 0.09 0.00 -2.93 0.00 0.00 61.98 58.87 2k7j s VAL 10 Cb -0.14 -1.08 -0.04 0.00 -1.53 0.00 0.00 36.38 33.60 2k7j s VAL 10 CO -0.23 0.37 -0.20 -0.62 -3.33 0.00 0.00 175.10 171.09 2k7j s ASP 11 N 1.22 3.77 0.16 3.54 2.15 -1.26 -1.09 116.67 125.16 2k7j s ASP 11 Ca -0.04 -0.60 -0.24 0.00 0.43 0.00 0.00 52.55 52.10 2k7j s ASP 11 Cb -0.14 -0.48 0.07 0.00 -0.30 0.00 0.00 42.92 42.07 2k7j s ASP 11 CO -0.03 0.18 0.98 -0.72 -0.17 0.00 0.00 175.17 175.40 2k7j s TYR 12 N -1.13 -0.08 -0.51 -5.34 -0.85 -1.06 -3.70 117.35 104.69 2k7j s TYR 12 Ca 0.17 -0.25 0.03 0.00 -0.52 0.00 0.00 57.07 56.50 2k7j s TYR 12 Cb -0.10 0.66 0.14 0.00 0.38 0.00 0.00 41.96 43.03 2k7j s TYR 12 CO 0.09 -0.86 0.29 -1.83 -1.52 0.00 0.00 175.55 171.72 2k7j s GLU 13 N -3.03 1.73 0.44 -3.49 1.03 -1.26 -2.57 118.70 111.55 2k7j s GLU 13 Ca 0.14 -2.47 -0.23 0.00 0.03 0.00 0.00 54.97 52.44 2k7j s GLU 13 Cb -0.02 -2.87 -0.10 0.00 -0.80 0.00 0.00 34.13 30.34 2k7j s GLU 13 CO 0.03 -1.17 0.91 -0.89 -1.33 0.00 0.00 175.26 172.81 2k7j n ILE 14 N 3.10 2.42 -2.54 1.83 2.08 -1.15 -4.66 119.36 120.43 2k7j n ILE 14 Ca 0.10 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.91 2k7j n ILE 14 Cb 0.34 -1.02 0.00 0.00 -0.75 0.00 0.00 39.64 38.21 2k7j n ILE 14 CO 0.00 0.00 0.00 0.49 0.56 0.00 0.00 176.55 177.60 2k7j n PHE 15 N -0.69 -3.07 0.00 1.39 3.72 -1.07 -1.78 117.46 115.97 2k7j n PHE 15 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 2k7j n PHE 15 Cb 0.40 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 2k7j n PHE 15 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k7j n GLY 16 N 5.00 -1.46 2.31 1.37 0.00 -1.25 -4.49 105.19 106.67 2k7j n GLY 16 Ca 0.00 -2.24 -0.35 0.00 0.00 0.00 0.00 46.02 43.44 2k7j n GLY 16 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2k7j n LYS 17 N -0.54 3.59 -1.36 1.61 2.85 -0.72 -4.54 118.16 119.06 2k7j n LYS 17 Ca 0.00 -2.28 -0.24 0.00 -1.05 0.00 0.00 58.31 54.74 2k7j n LYS 17 Cb 0.00 -2.63 -0.05 0.00 -0.65 0.00 0.00 35.03 31.70 2k7j n LYS 17 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 2k7j n VAL 18 N 2.96 3.21 -0.03 0.58 0.24 -1.26 -4.20 118.33 119.83 2k7j n VAL 18 Ca 0.70 -2.67 -0.07 0.00 -2.04 0.00 0.00 64.34 60.25 2k7j n VAL 18 Cb 0.34 -1.59 -0.02 0.00 -1.47 0.00 0.00 33.84 31.10 2k7j n VAL 18 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k7j n GLN 19 N 0.92 0.17 -1.23 7.34 6.02 -1.26 -4.47 117.38 124.87 2k7j n GLN 19 Ca 0.46 0.07 -0.23 0.00 -0.01 0.00 0.00 57.00 57.29 2k7j n GLN 19 Cb 0.59 -0.78 -0.01 0.00 1.02 0.00 0.00 30.24 31.05 2k7j n GLN 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k7j n GLY 20 N 2.59 4.31 2.87 1.08 0.00 -1.26 -4.86 105.19 109.92 2k7j n GLY 20 Ca -0.13 -1.57 -0.16 0.00 0.00 0.00 0.00 46.02 44.16 2k7j n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k7j s VAL 21 N -2.37 0.21 -0.70 1.61 0.11 -1.26 -4.95 120.40 113.04 2k7j s VAL 21 Ca 0.47 -0.01 0.02 0.00 -2.93 0.00 0.00 61.98 59.53 2k7j s VAL 21 Cb 0.33 -0.24 0.36 0.00 -1.53 0.00 0.00 36.38 35.30 2k7j s VAL 21 CO -0.12 0.11 1.47 2.22 -3.33 0.00 0.00 175.10 175.45 2k7j n PHE 22 N 3.62 3.31 -2.59 1.54 -1.74 -1.26 -4.82 117.46 115.53 2k7j n PHE 22 Ca -0.21 -2.98 -0.33 0.00 -0.56 0.00 0.00 57.45 53.37 2k7j n PHE 22 Cb 0.54 -0.70 -0.00 0.00 1.52 0.00 0.00 39.48 40.84 2k7j n PHE 22 CO 0.00 0.00 0.00 1.19 -0.56 0.00 0.00 176.76 177.39 2k7j n PHE 23 N -0.36 3.38 0.35 2.97 3.01 -1.26 -4.71 117.46 120.83 2k7j n PHE 23 Ca 0.43 -3.12 0.12 0.00 1.01 0.00 0.00 57.45 55.89 2k7j n PHE 23 Cb 0.40 -0.74 0.20 0.00 -0.01 0.00 0.00 39.48 39.34 2k7j n PHE 23 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 2k7j h ARG 24 N 3.27 0.00 0.00 -1.08 2.43 -2.01 -3.26 114.38 113.73 2k7j h ARG 24 Ca 0.36 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.45 2k7j h ARG 24 Cb 0.45 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 2k7j h ARG 24 CO 1.04 0.00 -1.45 1.17 -1.51 0.00 0.00 179.97 179.22 2k7j n LYS 25 N -2.69 0.63 0.21 0.20 4.81 -1.26 -3.58 118.16 116.47 2k7j n LYS 25 Ca 0.04 0.08 0.08 0.00 -0.87 0.00 0.00 58.31 57.64 2k7j n LYS 25 Cb 0.50 -1.73 0.42 0.00 0.02 0.00 0.00 35.03 34.23 2k7j n LYS 25 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 2k7j h HIS 26 N 0.00 0.00 0.03 5.64 2.76 -1.92 0.21 115.15 121.87 2k7j h HIS 26 Ca -0.09 0.00 -0.30 0.00 -2.20 0.00 0.00 60.37 57.78 2k7j h HIS 26 Cb 1.28 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 30.20 2k7j h HIS 26 CO 0.00 0.28 -1.67 0.00 -1.30 0.00 0.00 177.93 175.24 2k7j h THR 27 N 0.00 0.92 0.00 6.26 1.03 -1.69 -3.37 112.91 116.07 2k7j h THR 27 Ca -0.00 -2.73 -0.25 0.00 -0.01 0.00 0.00 66.41 63.42 2k7j h THR 27 Cb 0.79 2.50 -0.04 0.00 -1.07 0.00 0.00 68.15 70.34 2k7j h THR 27 CO 0.04 0.62 -1.34 0.06 -0.01 0.00 0.00 175.52 174.88 2k7j h GLN 28 N 0.02 0.01 0.16 0.00 -0.00 -1.59 -3.35 115.11 110.36 2k7j h GLN 28 Ca -0.28 -0.02 0.01 0.00 -0.00 0.00 0.00 58.65 58.37 2k7j h GLN 28 Cb 1.99 0.01 -0.04 0.00 -0.00 0.00 0.00 27.48 29.44 2k7j h GLN 28 CO 0.09 0.77 -0.51 0.00 -0.00 0.00 0.00 178.83 179.19 2k7j h ALA 29 N 0.98 -1.01 -0.97 0.06 0.00 -0.73 -1.47 119.26 116.13 2k7j h ALA 29 Ca -0.14 -0.12 0.18 0.00 0.00 0.00 0.00 54.91 54.83 2k7j h ALA 29 Cb 1.89 0.87 -0.09 0.00 0.00 0.00 0.00 17.79 20.46 2k7j h ALA 29 CO 0.11 -1.12 0.61 1.49 0.00 0.00 0.00 179.25 180.34 2k7j h GLU 30 N -0.76 0.65 -0.14 0.00 4.81 -1.73 0.24 114.58 117.65 2k7j h GLU 30 Ca -0.01 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.22 2k7j h GLU 30 Cb 0.75 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 2k7j h GLU 30 CO -0.25 0.43 0.20 0.78 -0.73 0.00 0.00 179.01 179.44 2k7j h GLY 31 N 0.67 0.00 0.16 1.92 0.00 -1.40 -0.52 103.07 103.90 2k7j h GLY 31 Ca 0.53 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.75 2k7j h GLY 31 CO -0.29 0.00 -0.53 0.50 0.00 0.00 0.00 176.54 176.22 2k7j h LYS 32 N 0.00 0.07 0.92 4.80 1.79 -0.31 0.24 116.57 124.09 2k7j h LYS 32 Ca 0.07 -0.12 -0.04 0.00 -2.18 0.00 0.00 60.65 58.37 2k7j h LYS 32 Cb 0.46 0.05 0.01 0.00 -1.58 0.00 0.00 32.23 31.17 2k7j h LYS 32 CO -0.00 1.06 -0.44 0.87 -1.08 0.00 0.00 179.45 179.86 2k7j h LYS 33 N -0.83 -1.19 -0.72 3.15 1.79 -1.25 -2.96 116.57 114.57 2k7j h LYS 33 Ca -0.13 0.08 0.09 0.00 -2.18 0.00 0.00 60.65 58.51 2k7j h LYS 33 Cb 1.24 0.27 -0.05 0.00 -1.58 0.00 0.00 32.23 32.12 2k7j h LYS 33 CO -0.01 -0.79 0.47 -0.07 -1.08 0.00 0.00 179.45 177.97 2k7j h LEU 34 N -1.31 0.58 0.00 2.94 3.38 -1.31 -3.46 115.31 116.13 2k7j h LEU 34 Ca -0.13 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2k7j h LEU 34 Cb 0.95 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2k7j h LEU 34 CO 0.21 0.35 0.00 0.61 0.09 0.00 0.00 178.44 179.70 2k7j n GLY 35 N -1.47 1.16 3.95 0.83 0.00 -1.07 -4.94 105.19 103.65 2k7j n GLY 35 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 2k7j n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k7j s LEU 36 N 0.00 2.89 0.00 0.99 1.43 0.84 -4.85 118.68 119.97 2k7j s LEU 36 Ca 0.00 0.16 -0.00 0.00 -1.03 0.00 0.00 54.13 53.26 2k7j s LEU 36 Cb 0.00 -2.65 0.00 0.00 0.03 0.00 0.00 46.19 43.58 2k7j s LEU 36 CO 0.00 -1.82 0.14 1.33 0.23 0.00 0.00 176.35 176.22 2k7j n VAL 37 N -2.99 0.00 0.00 -1.59 0.24 0.84 -3.57 118.33 111.25 2k7j n VAL 37 Ca 0.11 -0.55 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 2k7j n VAL 37 Cb 0.60 0.33 0.00 0.00 -1.47 0.00 0.00 33.84 33.30 2k7j n VAL 37 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k7j n GLY 38 N -0.17 0.53 3.60 7.63 0.00 -1.26 -1.97 105.19 113.54 2k7j n GLY 38 Ca 0.00 -0.86 -0.05 0.00 0.00 0.00 0.00 46.02 45.12 2k7j n GLY 38 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2k7j s TRP 39 N 0.00 -0.16 0.03 1.61 -2.14 -1.26 -4.10 118.94 112.91 2k7j s TRP 39 Ca 0.00 0.21 -0.04 0.00 2.66 0.00 0.00 56.10 58.94 2k7j s TRP 39 Cb 0.00 0.49 -0.01 0.00 -3.10 0.00 0.00 33.47 30.85 2k7j s TRP 39 CO 0.00 -0.19 0.05 0.54 -2.66 0.00 0.00 176.95 174.69 2k7j s VAL 40 N -1.63 0.12 -0.14 -0.66 0.11 -1.24 -3.25 120.40 113.71 2k7j s VAL 40 Ca 0.06 -1.02 -0.29 0.00 -2.93 0.00 0.00 61.98 57.80 2k7j s VAL 40 Cb -0.01 -0.65 0.09 0.00 -1.53 0.00 0.00 36.38 34.28 2k7j s VAL 40 CO -0.04 -0.56 0.80 -1.58 -3.33 0.00 0.00 175.10 170.38 2k7j s GLN 41 N -2.11 0.86 -0.94 1.54 0.74 -0.74 -2.74 119.66 116.27 2k7j s GLN 41 Ca -0.09 0.38 -0.08 0.00 0.05 0.00 0.00 55.36 55.62 2k7j s GLN 41 Cb -0.04 0.41 0.24 0.00 1.10 0.00 0.00 33.01 34.71 2k7j s GLN 41 CO -0.03 -0.23 0.88 1.21 -0.55 0.00 0.00 175.29 176.57 2k7j s ASN 42 N -0.78 6.66 0.89 6.67 2.47 -1.26 -2.00 114.94 127.59 2k7j s ASN 42 Ca -0.06 -3.33 -0.13 0.00 0.42 0.00 0.00 52.86 49.77 2k7j s ASN 42 Cb -0.01 -2.10 0.04 0.00 -1.45 0.00 0.00 41.25 37.73 2k7j s ASN 42 CO 0.05 -0.34 0.63 0.35 -3.72 0.00 0.00 177.10 174.06 2k7j n THR 43 N 3.01 0.59 0.12 -5.21 -2.24 -1.03 -4.91 114.28 104.60 2k7j n THR 43 Ca 0.19 -0.20 -0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2k7j n THR 43 Cb 0.40 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 2k7j n THR 43 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2k7j h ASP 44 N -1.31 0.00 -0.68 3.42 5.19 -1.91 -3.29 116.42 117.84 2k7j h ASP 44 Ca -0.44 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.00 2k7j h ASP 44 Cb 1.29 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.76 2k7j h ASP 44 CO 0.38 0.64 0.43 -0.09 -3.12 0.00 0.00 179.24 177.48 2k7j h ARG 45 N 0.00 0.81 0.00 3.56 9.65 -1.95 -3.47 114.38 122.99 2k7j h ARG 45 Ca -0.01 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 2k7j h ARG 45 Cb 1.47 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.87 2k7j h ARG 45 CO 0.08 0.54 0.00 0.41 2.80 0.00 0.00 179.97 183.80 2k7j n GLY 46 N -1.29 0.56 3.23 2.80 0.00 -1.24 -5.02 105.19 104.22 2k7j n GLY 46 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 2k7j n GLY 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k7j s THR 47 N -0.99 0.03 -0.51 2.61 -4.23 -1.26 -3.77 115.64 107.52 2k7j s THR 47 Ca 0.00 -0.24 -0.18 0.00 -1.18 0.00 0.00 61.69 60.09 2k7j s THR 47 Cb 0.00 -0.53 0.07 0.00 1.34 0.00 0.00 72.50 73.37 2k7j s THR 47 CO 0.00 -0.13 0.59 -0.69 -0.54 0.00 0.00 174.62 173.84 2k7j s VAL 48 N -0.56 4.94 -0.31 2.29 1.01 -0.73 -2.47 120.40 124.56 2k7j s VAL 48 Ca -0.07 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 60.97 2k7j s VAL 48 Cb -0.04 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 32.08 2k7j s VAL 48 CO 0.02 -0.79 1.11 -1.10 0.00 0.00 0.00 175.10 174.34 2k7j s GLN 49 N 2.43 4.05 -0.23 2.72 -0.21 -0.85 -2.94 119.66 124.64 2k7j s GLN 49 Ca 0.13 1.10 -0.34 0.00 0.02 0.00 0.00 55.36 56.27 2k7j s GLN 49 Cb -0.21 -3.76 0.15 0.00 1.00 0.00 0.00 33.01 30.20 2k7j s GLN 49 CO 0.10 -0.93 1.26 0.20 -2.12 0.00 0.00 175.29 173.80 2k7j s GLY 50 N 1.81 -0.18 0.24 3.09 0.00 -1.06 -1.78 107.32 109.44 2k7j s GLY 50 Ca 0.47 1.99 0.00 0.00 0.00 0.00 0.00 44.72 47.18 2k7j s GLY 50 CO 0.16 0.73 0.01 0.58 0.00 0.00 0.00 173.10 174.59 2k7j n LYS 51 N 0.14 1.41 -3.41 2.90 2.85 -1.20 -2.56 118.16 118.29 2k7j n LYS 51 Ca 0.00 -1.73 -0.26 0.00 -1.05 0.00 0.00 58.31 55.27 2k7j n LYS 51 Cb 0.58 0.45 -0.09 0.00 -0.65 0.00 0.00 35.03 35.32 2k7j n LYS 51 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2k7j n LEU 52 N 0.00 1.02 -4.65 -5.58 4.77 -0.25 -4.60 117.00 107.71 2k7j n LEU 52 Ca -0.09 -4.80 -0.43 0.00 -0.03 0.00 0.00 56.01 50.66 2k7j n LEU 52 Cb 0.30 0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 2k7j n LEU 52 CO 0.16 1.95 0.85 -1.58 -1.33 0.00 0.00 177.39 177.44 2k7j s GLN 53 N -1.03 4.22 0.00 3.23 0.74 -0.83 -4.17 119.66 121.81 2k7j s GLN 53 Ca 0.34 1.21 0.00 0.00 0.05 0.00 0.00 55.36 56.96 2k7j s GLN 53 Cb 0.09 -3.65 0.00 0.00 1.10 0.00 0.00 33.01 30.55 2k7j s GLN 53 CO -0.13 -0.63 0.00 0.41 -0.55 0.00 0.00 175.29 174.39 2k7j n GLY 54 N 3.50 -0.85 3.74 2.59 0.00 -1.21 -0.11 105.19 112.84 2k7j n GLY 54 Ca 0.10 -1.37 -0.41 0.00 0.00 0.00 0.00 46.02 44.34 2k7j n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k7j s PRO 55 N -2.00 4.39 0.50 1.61 0.04 -1.26 -2.23 135.00 136.05 2k7j s PRO 55 Ca 0.00 2.05 0.19 0.00 0.04 0.00 0.00 61.00 63.28 2k7j s PRO 55 Cb 0.00 -3.20 1.25 0.00 0.04 0.00 0.00 34.50 32.60 2k7j s PRO 55 CO 0.00 -0.25 2.05 0.82 0.04 0.00 0.00 177.00 179.66 2k7j h ILE 56 N 3.76 0.88 -0.48 0.56 2.04 -0.97 -0.57 117.51 122.73 2k7j h ILE 56 Ca -0.45 -0.04 0.09 0.00 1.00 0.00 0.00 64.86 65.47 2k7j h ILE 56 Cb 1.21 0.76 -0.08 0.00 -0.74 0.00 0.00 36.82 37.98 2k7j h ILE 56 CO 0.77 0.02 0.01 0.28 0.00 0.00 0.00 178.15 179.23 2k7j h SER 57 N 0.11 -0.18 0.18 1.72 0.02 -1.82 -0.28 113.55 113.30 2k7j h SER 57 Ca 0.16 0.11 -0.30 0.00 -0.84 0.00 0.00 61.79 60.92 2k7j h SER 57 Cb 0.51 0.19 0.02 0.00 0.14 0.00 0.00 62.40 63.26 2k7j h SER 57 CO -0.02 -0.06 -1.43 0.11 -1.14 0.00 0.00 176.83 174.29 2k7j h LYS 58 N 0.13 0.38 -0.86 3.45 6.56 -1.75 -3.31 116.57 121.17 2k7j h LYS 58 Ca 0.24 -0.66 0.25 0.00 -1.06 0.00 0.00 60.65 59.42 2k7j h LYS 58 Cb 0.35 0.24 -0.03 0.00 -0.57 0.00 0.00 32.23 32.22 2k7j h LYS 58 CO -0.39 1.31 0.62 0.28 -2.06 0.00 0.00 179.45 179.21 2k7j h VAL 59 N -0.07 0.57 -0.93 0.50 2.07 -0.86 0.73 116.25 118.26 2k7j h VAL 59 Ca -0.28 -0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.44 2k7j h VAL 59 Cb 1.96 0.57 -0.08 0.00 -1.52 0.00 0.00 31.29 32.22 2k7j h VAL 59 CO 0.17 0.00 0.60 0.03 0.02 0.00 0.00 177.57 178.40 2k7j h ARG 60 N 0.00 0.51 0.00 1.57 3.08 -1.14 0.31 114.38 118.71 2k7j h ARG 60 Ca 0.41 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.38 2k7j h ARG 60 Cb 1.64 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.57 2k7j h ARG 60 CO -0.00 0.34 -0.72 0.93 -1.07 0.00 0.00 179.97 179.44 2k7j h GLU 61 N 0.53 0.00 0.00 0.04 4.39 -1.07 -3.30 114.58 115.16 2k7j h GLU 61 Ca 0.50 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 60.06 2k7j h GLU 61 Cb 1.07 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.70 2k7j h GLU 61 CO -0.23 0.14 -0.66 1.98 -1.16 0.00 0.00 179.01 179.08 2k7j h MET 62 N 0.00 0.00 0.62 2.33 4.05 -0.38 -2.90 114.93 118.64 2k7j h MET 62 Ca -0.03 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.36 2k7j h MET 62 Cb 1.18 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.98 2k7j h MET 62 CO 0.02 0.66 -0.30 1.96 0.23 0.00 0.00 176.91 179.48 2k7j h GLN 63 N 0.00 -0.80 0.00 0.39 4.20 -1.04 -2.56 115.11 115.30 2k7j h GLN 63 Ca -0.01 0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 2k7j h GLN 63 Cb 1.32 0.18 -0.00 0.00 0.30 0.00 0.00 27.48 29.28 2k7j h GLN 63 CO 0.09 -0.49 -0.02 0.87 -0.67 0.00 0.00 178.83 178.61 2k7j h LYS 64 N -0.97 0.00 0.00 1.46 1.57 -1.70 -1.65 116.57 115.27 2k7j h LYS 64 Ca -0.08 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 2k7j h LYS 64 Cb 0.68 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 2k7j h LYS 64 CO 0.14 0.02 -0.23 -1.49 -0.57 0.00 0.00 179.45 177.32 2k7j h TRP 65 N 0.00 0.00 -0.19 -1.35 4.06 -1.27 0.27 115.95 117.47 2k7j h TRP 65 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2k7j h TRP 65 Cb 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.47 2k7j h TRP 65 CO 0.00 0.23 0.00 1.28 -3.56 0.00 0.00 178.44 176.39 2k7j n LEU 66 N -3.32 2.50 -0.06 -4.49 4.77 -0.68 -3.38 117.00 112.33 2k7j n LEU 66 Ca 0.01 -1.47 -0.07 0.00 -0.03 0.00 0.00 56.01 54.44 2k7j n LEU 66 Cb 0.47 -0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.41 2k7j n LEU 66 CO 0.34 0.56 -0.54 1.21 -1.33 0.00 0.00 177.39 177.62 2k7j n GLU 67 N 0.66 0.42 0.00 3.23 0.00 -0.83 -4.90 120.64 119.23 2k7j n GLU 67 Ca 0.10 0.17 0.00 0.00 0.00 0.00 0.00 57.16 57.43 2k7j n GLU 67 Cb 0.37 -1.23 0.00 0.00 0.00 0.00 0.00 31.44 30.58 2k7j n GLU 67 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 2k7j n THR 68 N -4.19 0.00 -1.14 6.31 5.66 -0.96 -4.73 114.28 115.23 2k7j n THR 68 Ca -0.11 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.56 2k7j n THR 68 Cb 0.41 -0.22 -0.03 0.00 -1.55 0.00 0.00 70.33 68.94 2k7j n THR 68 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 2k7j n ARG 69 N -1.71 3.17 -1.92 1.09 3.00 0.90 -4.87 116.66 116.32 2k7j n ARG 69 Ca 0.00 -1.92 -0.07 0.00 -0.00 0.00 0.00 57.85 55.86 2k7j n ARG 69 Cb 0.19 -2.65 0.01 0.00 0.00 0.00 0.00 32.46 30.00 2k7j n ARG 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k7j n GLY 70 N 3.56 2.45 3.56 5.14 0.00 -1.22 -4.24 105.19 114.45 2k7j n GLY 70 Ca 0.67 -2.19 -0.32 0.00 0.00 0.00 0.00 46.02 44.19 2k7j n GLY 70 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k7j n SER 71 N -2.37 -0.66 0.21 1.61 7.64 -1.26 -4.90 113.62 113.88 2k7j n SER 71 Ca 0.02 0.36 0.07 0.00 1.01 0.00 0.00 58.87 60.33 2k7j n SER 71 Cb 0.19 -1.36 0.44 0.00 -1.01 0.00 0.00 64.21 62.46 2k7j n SER 71 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2k7j h PRO 72 N -1.82 0.00 0.00 1.43 0.13 -1.99 -3.35 132.00 126.41 2k7j h PRO 72 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2k7j h PRO 72 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2k7j h PRO 72 CO 0.39 0.30 -0.02 0.93 -0.23 0.00 0.00 178.00 179.37 2k7j h GLU 73 N 0.00 0.00 -6.00 0.86 5.08 -1.99 -3.44 114.58 109.09 2k7j h GLU 73 Ca -0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.76 2k7j h GLU 73 Cb 0.72 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 2k7j h GLU 73 CO 0.04 0.00 1.48 0.45 -1.00 0.00 0.00 179.01 179.98 2k7j n SER 74 N -2.36 3.21 -4.64 1.42 2.88 -1.26 -4.94 113.62 107.93 2k7j n SER 74 Ca -0.00 0.24 -0.39 0.00 -1.33 0.00 0.00 58.87 57.39 2k7j n SER 74 Cb 0.01 -1.53 -0.08 0.00 -0.75 0.00 0.00 64.21 61.86 2k7j n SER 74 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 2k7j s HIS 75 N 8.13 3.32 -0.76 0.66 2.46 -1.26 -4.35 115.29 123.49 2k7j s HIS 75 Ca 1.01 0.55 -0.17 0.00 0.47 0.00 0.00 55.06 56.92 2k7j s HIS 75 Cb -0.38 -2.56 0.16 0.00 -0.13 0.00 0.00 32.58 29.67 2k7j s HIS 75 CO 0.36 -0.12 0.82 0.42 -2.47 0.00 0.00 174.74 173.76 2k7j s ILE 76 N 1.69 5.14 0.32 0.89 1.01 -1.26 -1.75 121.20 127.23 2k7j s ILE 76 Ca 0.18 -1.76 0.22 0.00 0.00 0.00 0.00 60.65 59.29 2k7j s ILE 76 Cb -0.15 -4.54 0.21 0.00 0.01 0.00 0.00 42.46 37.99 2k7j s ILE 76 CO 0.09 -1.16 1.92 -0.78 0.00 0.00 0.00 174.94 175.01 2k7j h ASP 77 N 8.53 0.00 -4.05 3.58 3.58 -1.90 -3.46 116.42 122.71 2k7j h ASP 77 Ca -0.03 0.00 0.07 0.00 0.42 0.00 0.00 57.03 57.50 2k7j h ASP 77 Cb 1.05 0.00 -0.23 0.00 1.72 0.00 0.00 39.33 41.87 2k7j h ASP 77 CO 0.96 0.23 0.52 -1.59 -2.88 0.00 0.00 179.24 176.49 2k7j s LYS 78 N -4.02 0.60 0.36 0.28 -2.85 -1.26 -5.03 119.74 107.82 2k7j s LYS 78 Ca -0.02 0.20 0.07 0.00 -1.00 0.00 0.00 55.97 55.22 2k7j s LYS 78 Cb 0.13 0.28 -0.03 0.00 -2.06 0.00 0.00 37.83 36.15 2k7j s LYS 78 CO 0.64 -0.18 0.26 0.00 0.10 0.00 0.00 175.35 176.17 2k7j s ALA 79 N -0.96 2.14 -0.30 0.59 0.00 -1.26 -2.59 121.76 119.37 2k7j s ALA 79 Ca -0.02 -1.90 -0.17 0.00 0.00 0.00 0.00 51.96 49.87 2k7j s ALA 79 Cb -0.01 1.34 0.18 0.00 0.00 0.00 0.00 23.12 24.64 2k7j s ALA 79 CO 0.01 -0.60 1.17 1.21 0.00 0.00 0.00 175.76 177.54 2k7j s ASN 80 N -3.44 -0.26 0.07 0.00 3.84 -1.26 -4.97 114.94 108.93 2k7j s ASN 80 Ca 0.37 0.37 -0.05 0.00 0.21 0.00 0.00 52.86 53.76 2k7j s ASN 80 Cb 0.02 1.26 -0.05 0.00 -0.55 0.00 0.00 41.25 41.93 2k7j s ASN 80 CO 0.26 -0.05 0.30 0.72 -2.79 0.00 0.00 177.10 175.54 2k7j s PHE 81 N 1.96 3.53 0.57 0.43 -0.12 -1.26 -4.50 117.98 118.59 2k7j s PHE 81 Ca -0.02 0.52 -0.08 0.00 -0.05 0.00 0.00 56.93 57.29 2k7j s PHE 81 Cb -0.03 -1.96 0.13 0.00 -0.63 0.00 0.00 43.02 40.53 2k7j s PHE 81 CO -0.16 0.54 0.78 1.63 -0.05 0.00 0.00 175.22 177.96 2k7j n LYS 82 N 0.56 -0.57 -2.37 1.99 4.76 -1.24 -4.96 118.16 116.33 2k7j n LYS 82 Ca -0.07 -1.39 -0.39 0.00 -2.87 0.00 0.00 58.31 53.59 2k7j n LYS 82 Cb 0.52 -0.74 -0.03 0.00 -1.84 0.00 0.00 35.03 32.93 2k7j n LYS 82 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 2k7j s ASN 83 N -3.91 5.87 0.51 4.39 3.84 -1.26 -4.89 114.94 119.49 2k7j s ASN 83 Ca 0.46 -0.33 -0.21 0.00 0.21 0.00 0.00 52.86 52.98 2k7j s ASN 83 Cb -0.02 -2.55 -0.09 0.00 -0.55 0.00 0.00 41.25 38.05 2k7j s ASN 83 CO 0.32 -2.02 0.82 -1.84 -2.79 0.00 0.00 177.10 171.58 2k7j n GLU 84 N 9.24 0.92 -4.91 0.43 -0.00 -1.26 -4.89 120.64 120.18 2k7j n GLU 84 Ca 0.14 0.34 -0.32 0.00 -0.00 0.00 0.00 57.16 57.31 2k7j n GLU 84 Cb 0.50 -1.92 -0.16 0.00 -0.00 0.00 0.00 31.44 29.85 2k7j n GLU 84 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 2k7j s LYS 85 N -2.18 3.08 -0.44 3.44 2.47 -0.47 -4.91 119.74 120.73 2k7j s LYS 85 Ca 0.68 -0.84 -0.29 0.00 -1.56 0.00 0.00 55.97 53.96 2k7j s LYS 85 Cb -0.50 -2.41 0.02 0.00 -1.46 0.00 0.00 37.83 33.48 2k7j s LYS 85 CO 0.54 0.09 1.21 0.08 0.16 0.00 0.00 175.35 177.43 2k7j s VAL 86 N 0.57 4.15 0.52 4.02 1.01 -1.26 -0.10 120.40 129.30 2k7j s VAL 86 Ca -0.12 1.19 0.06 0.00 0.00 0.00 0.00 61.98 63.11 2k7j s VAL 86 Cb -0.17 -4.46 0.02 0.00 0.00 0.00 0.00 36.38 31.78 2k7j s VAL 86 CO 0.04 -0.87 0.36 0.27 0.00 0.00 0.00 175.10 174.90 2k7j s ILE 87 N 4.64 1.81 -0.16 2.22 -4.36 -1.10 -4.98 121.20 119.26 2k7j s ILE 87 Ca 0.52 -1.51 0.15 0.00 -0.26 0.00 0.00 60.65 59.54 2k7j s ILE 87 Cb -0.10 -2.32 -0.21 0.00 1.25 0.00 0.00 42.46 41.08 2k7j s ILE 87 CO 0.30 0.00 0.07 0.18 0.24 0.00 0.00 174.94 175.73 2k7j n LEU 88 N -1.67 0.00 -4.15 0.37 4.77 -1.26 -4.42 117.00 110.64 2k7j n LEU 88 Ca -0.02 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.85 2k7j n LEU 88 Cb 0.64 0.41 -0.09 0.00 -2.33 0.00 0.00 43.42 42.05 2k7j n LEU 88 CO 0.40 0.41 -0.13 -0.54 -1.33 0.00 0.00 177.39 176.20 2k7j s LYS 89 N -2.43 1.30 -0.11 3.23 1.02 -1.26 -4.94 119.74 116.55 2k7j s LYS 89 Ca -0.08 -1.54 -0.04 0.00 0.02 0.00 0.00 55.97 54.32 2k7j s LYS 89 Cb 0.05 0.32 -0.04 0.00 -0.52 0.00 0.00 37.83 37.65 2k7j s LYS 89 CO 0.70 -0.46 0.05 -0.51 -0.92 0.00 0.00 175.35 174.21 2k7j s LEU 90 N -3.13 3.87 0.27 3.17 1.43 -1.26 -4.99 118.68 118.04 2k7j s LEU 90 Ca 0.35 0.24 0.02 0.00 -1.03 0.00 0.00 54.13 53.71 2k7j s LEU 90 Cb 0.05 -1.92 0.36 0.00 0.03 0.00 0.00 46.19 44.71 2k7j s LEU 90 CO 0.11 0.37 1.68 -0.78 0.23 0.00 0.00 176.35 177.97 2k7j h ASP 91 N 5.27 0.50 -2.16 2.29 1.82 -1.99 -3.44 116.42 118.71 2k7j h ASP 91 Ca -0.51 -0.18 -0.50 0.00 -0.39 0.00 0.00 57.03 55.45 2k7j h ASP 91 Cb 1.20 -0.14 -0.05 0.00 0.68 0.00 0.00 39.33 41.03 2k7j h ASP 91 CO 0.57 0.78 -0.52 -0.31 -1.61 0.00 0.00 179.24 178.15 2k7j s TYR 92 N -4.40 3.09 -0.11 0.28 1.51 -1.26 -5.04 117.35 111.42 2k7j s TYR 92 Ca -0.07 -0.13 0.15 0.00 -1.01 0.00 0.00 57.07 56.01 2k7j s TYR 92 Cb 0.13 -1.44 -0.22 0.00 -0.11 0.00 0.00 41.96 40.32 2k7j s TYR 92 CO 0.80 0.49 0.17 0.43 -1.11 0.00 0.00 175.55 176.33 2k7j n SER 93 N -1.20 1.11 -3.73 2.29 7.64 -1.26 -4.95 113.62 113.52 2k7j n SER 93 Ca -0.07 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.67 2k7j n SER 93 Cb 0.58 1.21 -0.08 0.00 -1.01 0.00 0.00 64.21 64.91 2k7j n SER 93 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k7j s ASP 94 N -4.59 -0.28 0.28 6.43 2.15 -1.26 -4.93 116.67 114.47 2k7j s ASP 94 Ca -0.07 0.25 -0.30 0.00 0.43 0.00 0.00 52.55 52.87 2k7j s ASP 94 Cb 0.07 0.40 -0.10 0.00 -0.30 0.00 0.00 42.92 42.99 2k7j s ASP 94 CO 0.67 -0.43 1.41 0.12 -0.17 0.00 0.00 175.17 176.77 2k7j s PHE 95 N -1.12 3.00 0.23 -5.34 2.19 -1.23 -4.50 117.98 111.21 2k7j s PHE 95 Ca -0.12 1.13 0.06 0.00 0.33 0.00 0.00 56.93 58.33 2k7j s PHE 95 Cb -0.04 -3.80 -0.05 0.00 -1.31 0.00 0.00 43.02 37.82 2k7j s PHE 95 CO 0.05 -2.49 -0.07 -1.14 1.83 0.00 0.00 175.22 173.40 2k7j s GLN 96 N -0.83 1.38 -0.33 10.12 0.74 -1.26 -4.96 119.66 124.52 2k7j s GLN 96 Ca 0.56 -1.67 -0.08 0.00 0.05 0.00 0.00 55.36 54.22 2k7j s GLN 96 Cb -0.42 -0.93 0.02 0.00 1.10 0.00 0.00 33.01 32.79 2k7j s GLN 96 CO 0.47 0.04 0.14 0.42 -0.55 0.00 0.00 175.29 175.80 2k7j s ILE 97 N -3.16 4.22 0.40 -2.34 1.01 -1.26 -3.68 121.20 116.40 2k7j s ILE 97 Ca 0.26 -0.80 -0.24 0.00 0.00 0.00 0.00 60.65 59.86 2k7j s ILE 97 Cb 0.03 -3.28 -0.11 0.00 0.01 0.00 0.00 42.46 39.11 2k7j s ILE 97 CO 0.08 -0.08 0.94 0.52 0.00 0.00 0.00 174.94 176.40 2k7j n VAL 98 N 4.91 2.30 1.49 2.92 0.31 -1.11 -4.98 118.33 124.18 2k7j n VAL 98 Ca -0.13 -0.50 0.14 0.00 -0.01 0.00 0.00 64.34 63.84 2k7j n VAL 98 Cb 0.47 -1.04 0.52 0.00 -0.91 0.00 0.00 33.84 32.88 2k7j n VAL 98 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68