#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hxx s LYS 2 N 0.00 2.43 -0.15 1.64 2.47 -1.26 0.12 119.74 124.99 2hxx s LYS 2 Ca 0.00 -0.64 0.00 0.00 -1.56 0.00 0.00 55.97 53.77 2hxx s LYS 2 Cb 0.00 -2.03 0.03 0.00 -1.46 0.00 0.00 37.83 34.36 2hxx s LYS 2 CO 0.00 -0.05 -0.10 0.00 0.16 0.00 0.00 175.35 175.36 2hxx s ALA 3 N 0.95 1.64 -0.31 3.13 0.00 -0.10 -4.91 121.76 122.16 2hxx s ALA 3 Ca -0.06 -0.81 -0.09 0.00 0.00 0.00 0.00 51.96 51.00 2hxx s ALA 3 Cb -0.15 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 21.93 2hxx s ALA 3 CO -0.02 -0.51 0.14 0.08 0.00 0.00 0.00 175.76 175.45 2hxx s VAL 4 N 1.57 4.41 -0.32 0.00 1.01 -1.26 -0.90 120.40 124.91 2hxx s VAL 4 Ca 0.04 -0.56 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 2hxx s VAL 4 Cb -0.14 -3.29 0.04 0.00 0.00 0.00 0.00 36.38 33.00 2hxx s VAL 4 CO -0.09 0.03 0.06 -0.51 0.00 0.00 0.00 175.10 174.59 2hxx s ILE 5 N 1.57 3.49 -0.46 2.22 1.10 0.31 -4.98 121.20 124.46 2hxx s ILE 5 Ca 0.04 -1.20 -0.19 0.00 -0.51 0.00 0.00 60.65 58.78 2hxx s ILE 5 Cb -0.17 -2.98 0.04 0.00 0.15 0.00 0.00 42.46 39.50 2hxx s ILE 5 CO 0.05 -0.14 0.57 0.21 -2.11 0.00 0.00 174.94 173.52 2hxx s ASN 6 N 1.35 6.24 0.58 4.50 3.84 -1.26 -1.89 114.94 128.30 2hxx s ASN 6 Ca -0.03 -0.67 0.29 0.00 0.21 0.00 0.00 52.86 52.66 2hxx s ASN 6 Cb -0.19 -2.28 1.77 0.00 -0.55 0.00 0.00 41.25 40.00 2hxx s ASN 6 CO 0.01 -0.75 2.24 1.23 -2.79 0.00 0.00 177.10 177.04 2hxx h GLY 7 N 9.48 0.00 -0.41 1.21 0.00 -1.03 -2.67 103.07 109.65 2hxx h GLY 7 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2hxx h GLY 7 CO 0.89 0.00 0.00 1.18 0.00 0.00 0.00 176.54 178.61 2hxx n GLU 8 N -3.86 0.09 -1.21 4.80 1.02 -1.20 -1.63 120.64 118.64 2hxx n GLU 8 Ca -0.03 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.05 2hxx n GLU 8 Cb 0.09 -1.02 -0.04 0.00 -0.02 0.00 0.00 31.44 30.45 2hxx n GLU 8 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2hxx n GLN 9 N -0.11 0.16 -4.77 3.49 6.02 -1.01 -4.93 117.38 116.24 2hxx n GLN 9 Ca 0.00 -1.08 -0.26 0.00 -0.01 0.00 0.00 57.00 55.65 2hxx n GLN 9 Cb 0.01 0.46 -0.16 0.00 1.02 0.00 0.00 30.24 31.56 2hxx n GLN 9 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2hxx s ILE 10 N -0.01 1.36 -0.12 5.09 -1.09 -0.65 -5.04 121.20 120.74 2hxx s ILE 10 Ca 0.03 -0.65 0.11 0.00 -2.23 0.00 0.00 60.65 57.91 2hxx s ILE 10 Cb 0.07 -1.19 -0.15 0.00 -1.58 0.00 0.00 42.46 39.60 2hxx s ILE 10 CO -0.02 0.40 0.28 0.54 -1.23 0.00 0.00 174.94 174.91 2hxx n ARG 11 N 3.43 1.06 -3.83 2.79 5.12 -1.26 -4.89 116.66 119.08 2hxx n ARG 11 Ca -0.20 -0.08 -0.06 0.00 -1.93 0.00 0.00 57.85 55.58 2hxx n ARG 11 Cb 0.53 -1.19 -0.02 0.00 -1.16 0.00 0.00 32.46 30.61 2hxx n ARG 11 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2hxx s SER 12 N -2.95 -0.24 0.28 0.55 1.04 -1.26 -5.00 113.70 106.12 2hxx s SER 12 Ca -0.02 -0.56 0.02 0.00 0.48 0.00 0.00 55.95 55.87 2hxx s SER 12 Cb 0.07 0.67 0.64 0.00 0.10 0.00 0.00 66.02 67.51 2hxx s SER 12 CO 0.44 -1.25 1.73 0.40 0.98 0.00 0.00 173.24 175.55 2hxx h ILE 13 N 2.00 0.60 -0.34 -1.02 5.03 -1.84 0.10 117.51 122.04 2hxx h ILE 13 Ca -0.20 -0.18 -0.04 0.00 -0.12 0.00 0.00 64.86 64.32 2hxx h ILE 13 Cb 1.25 0.04 -0.02 0.00 -3.03 0.00 0.00 36.82 35.05 2hxx h ILE 13 CO 0.24 0.10 0.03 0.77 -0.68 0.00 0.00 178.15 178.60 2hxx h SER 14 N 0.52 0.48 0.29 1.72 4.64 -1.95 -1.60 113.55 117.65 2hxx h SER 14 Ca 0.52 -0.08 -0.12 0.00 -0.47 0.00 0.00 61.79 61.64 2hxx h SER 14 Cb 0.87 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.82 2hxx h SER 14 CO -0.44 0.53 -0.48 0.44 -0.87 0.00 0.00 176.83 176.00 2hxx h ASP 15 N 0.50 0.24 0.17 4.97 5.19 -1.21 -2.04 116.42 124.24 2hxx h ASP 15 Ca 0.11 -0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 2hxx h ASP 15 Cb 0.28 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.72 2hxx h ASP 15 CO 0.00 0.69 -0.08 0.25 -3.12 0.00 0.00 179.24 176.98 2hxx h LEU 16 N 0.18 -0.19 -0.74 1.55 6.46 -0.74 -2.25 115.31 119.57 2hxx h LEU 16 Ca 0.01 -0.28 0.09 0.00 -0.12 0.00 0.00 57.88 57.58 2hxx h LEU 16 Cb 0.91 0.05 -0.07 0.00 -0.73 0.00 0.00 40.66 40.82 2hxx h LEU 16 CO 0.07 0.20 0.39 0.45 -0.62 0.00 0.00 178.44 178.93 2hxx h HIS 17 N -0.62 0.71 -0.38 1.25 3.86 -1.25 0.16 115.15 118.88 2hxx h HIS 17 Ca -0.02 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 2hxx h HIS 17 Cb 0.46 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.71 2hxx h HIS 17 CO 0.04 0.28 -0.03 1.96 0.86 0.00 0.00 177.93 181.04 2hxx h GLN 18 N 0.67 0.61 -0.35 2.45 4.20 -1.35 -0.38 115.11 120.96 2hxx h GLN 18 Ca 0.36 -0.15 -0.15 0.00 0.06 0.00 0.00 58.65 58.76 2hxx h GLN 18 Cb 0.35 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 2hxx h GLN 18 CO -0.25 0.65 -0.38 1.15 -0.67 0.00 0.00 178.83 179.33 2hxx h THR 19 N 0.58 1.28 -0.13 -0.54 2.02 -0.48 -2.51 112.91 113.13 2hxx h THR 19 Ca 0.12 -1.56 0.01 0.00 0.77 0.00 0.00 66.41 65.75 2hxx h THR 19 Cb 0.41 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 2hxx h THR 19 CO 0.02 0.51 0.05 -0.07 0.37 0.00 0.00 175.52 176.40 2hxx h LEU 20 N 0.67 0.05 -0.46 2.58 4.07 -0.43 0.28 115.31 122.08 2hxx h LEU 20 Ca 0.05 0.01 0.09 0.00 0.08 0.00 0.00 57.88 58.11 2hxx h LEU 20 Cb 0.98 0.01 -0.07 0.00 1.08 0.00 0.00 40.66 42.65 2hxx h LEU 20 CO 0.09 0.05 0.00 0.50 -1.08 0.00 0.00 178.44 178.01 2hxx h LYS 21 N 0.11 0.11 -0.12 1.13 3.64 -1.00 0.90 116.57 121.34 2hxx h LYS 21 Ca 0.06 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 2hxx h LYS 21 Cb 0.03 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2hxx h LYS 21 CO -0.06 0.07 -0.23 -0.22 -2.27 0.00 0.00 179.45 176.75 2hxx h LYS 22 N 0.11 0.38 -0.44 1.90 3.64 -1.18 -0.90 116.57 120.08 2hxx h LYS 22 Ca 0.23 -0.24 -0.12 0.00 -1.27 0.00 0.00 60.65 59.24 2hxx h LYS 22 Cb 0.33 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 2hxx h LYS 22 CO -0.38 0.83 -0.21 0.93 -2.27 0.00 0.00 179.45 178.36 2hxx h GLU 23 N -0.04 0.93 0.00 1.90 4.39 0.04 -2.95 114.58 118.85 2hxx h GLU 23 Ca 0.01 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.30 2hxx h GLU 23 Cb 0.82 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 2hxx h GLU 23 CO 0.05 1.06 -0.34 1.28 -1.16 0.00 0.00 179.01 179.90 2hxx n LEU 24 N -4.17 0.36 -2.08 1.33 4.77 0.31 -4.62 117.00 112.89 2hxx n LEU 24 Ca -0.01 0.17 -0.13 0.00 -0.03 0.00 0.00 56.01 56.02 2hxx n LEU 24 Cb 0.45 -0.33 0.04 0.00 -2.33 0.00 0.00 43.42 41.25 2hxx n LEU 24 CO 0.46 0.07 0.11 0.00 -1.33 0.00 0.00 177.39 176.70 2hxx n ALA 25 N -1.52 -0.67 -0.93 -1.18 0.00 -0.69 -4.95 120.51 110.57 2hxx n ALA 25 Ca 0.06 0.21 -0.29 0.00 0.00 0.00 0.00 53.44 53.41 2hxx n ALA 25 Cb 0.34 -3.05 0.18 0.00 0.00 0.00 0.00 19.45 16.92 2hxx n ALA 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2hxx s LEU 26 N -4.28 1.82 0.27 0.00 1.43 -0.43 -4.95 118.68 112.54 2hxx s LEU 26 Ca 0.29 1.55 -0.30 0.00 -1.03 0.00 0.00 54.13 54.64 2hxx s LEU 26 Cb -0.13 -3.78 -0.13 0.00 0.03 0.00 0.00 46.19 42.18 2hxx s LEU 26 CO 0.36 -3.24 1.37 0.00 0.23 0.00 0.00 176.35 175.06 2hxx n ALA 27 N -4.28 1.16 0.26 4.21 0.00 -1.26 -4.84 120.51 115.76 2hxx n ALA 27 Ca 0.06 0.40 0.13 0.00 0.00 0.00 0.00 53.44 54.03 2hxx n ALA 27 Cb 0.55 -2.27 0.70 0.00 0.00 0.00 0.00 19.45 18.43 2hxx n ALA 27 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2hxx h GLU 28 N 3.70 0.00 -0.39 0.00 4.81 -1.97 0.44 114.58 121.17 2hxx h GLU 28 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2hxx h GLU 28 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 2hxx h GLU 28 CO 0.72 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 179.66 2hxx n TYR 29 N -2.58 0.96 -1.65 0.92 4.01 -1.26 -5.03 117.16 112.53 2hxx n TYR 29 Ca -0.02 -0.69 -0.59 0.00 -0.16 0.00 0.00 57.90 56.44 2hxx n TYR 29 Cb 0.28 -0.21 -0.08 0.00 -0.31 0.00 0.00 39.34 39.02 2hxx n TYR 29 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 2hxx n TYR 30 N 0.25 1.56 0.26 -0.72 9.36 0.15 -4.83 117.16 123.19 2hxx n TYR 30 Ca 0.19 0.83 0.16 0.00 3.32 0.00 0.00 57.90 62.40 2hxx n TYR 30 Cb 0.75 -2.29 0.89 0.00 -0.63 0.00 0.00 39.34 38.06 2hxx n TYR 30 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 2hxx h GLY 31 N 5.15 0.00 -4.98 2.98 0.00 -1.91 -3.47 103.07 100.85 2hxx h GLY 31 Ca -0.47 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 46.60 2hxx h GLY 31 CO 0.86 0.00 -0.63 1.18 0.00 0.00 0.00 176.54 177.94 2hxx n GLU 32 N -3.78 -5.09 -3.94 4.80 1.02 -1.26 -5.01 120.64 107.38 2hxx n GLU 32 Ca -0.01 0.69 -0.09 0.00 -0.02 0.00 0.00 57.16 57.73 2hxx n GLU 32 Cb 0.19 -5.23 -0.03 0.00 -0.02 0.00 0.00 31.44 26.35 2hxx n GLU 32 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2hxx s ASN 33 N -4.04 -0.02 0.09 1.62 2.20 -1.26 -4.97 114.94 108.56 2hxx s ASN 33 Ca 0.03 -0.93 -0.24 0.00 -0.94 0.00 0.00 52.86 50.79 2hxx s ASN 33 Cb -0.00 0.68 -0.14 0.00 -2.00 0.00 0.00 41.25 39.78 2hxx s ASN 33 CO 0.60 -1.30 1.72 -0.07 -2.94 0.00 0.00 177.10 175.10 2hxx h LEU 34 N 2.12 -0.13 -0.85 3.54 4.07 -1.98 0.84 115.31 122.92 2hxx h LEU 34 Ca -0.25 0.01 0.01 0.00 0.08 0.00 0.00 57.88 57.74 2hxx h LEU 34 Cb 1.25 0.05 -0.04 0.00 1.08 0.00 0.00 40.66 42.99 2hxx h LEU 34 CO 0.33 -0.08 0.56 0.44 -1.08 0.00 0.00 178.44 178.60 2hxx h ASP 35 N -0.12 0.96 -0.23 -0.43 3.32 -2.01 -2.12 116.42 115.79 2hxx h ASP 35 Ca -0.00 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 2hxx h ASP 35 Cb 0.12 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 2hxx h ASP 35 CO -0.01 0.69 0.14 0.00 -1.72 0.00 0.00 179.24 178.34 2hxx h ALA 36 N 1.32 0.29 0.00 3.45 0.00 -1.89 -0.76 119.26 121.67 2hxx h ALA 36 Ca 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2hxx h ALA 36 Cb -0.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2hxx h ALA 36 CO -0.08 -0.21 0.00 -0.11 0.00 0.00 0.00 179.25 178.86 2hxx n LEU 37 N -4.90 0.05 0.00 0.00 7.94 0.27 -1.38 117.00 118.97 2hxx n LEU 37 Ca -0.03 -0.02 0.00 0.00 -1.11 0.00 0.00 56.01 54.85 2hxx n LEU 37 Cb 0.05 -0.01 0.00 0.00 0.53 0.00 0.00 43.42 43.99 2hxx n LEU 37 CO 0.34 0.01 0.00 0.47 -1.11 0.00 0.00 177.39 177.10 2hxx n ASP 39 N 1.11 0.00 0.05 1.96 8.00 -0.29 -1.83 116.55 125.55 2hxx n ASP 39 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.47 2hxx n ASP 39 Cb 0.01 0.00 0.19 0.00 -0.02 0.00 0.00 41.12 41.30 2hxx n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hxx h ALA 40 N 0.00 1.05 0.17 2.24 0.00 -1.49 0.32 119.26 121.55 2hxx h ALA 40 Ca 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2hxx h ALA 40 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2hxx h ALA 40 CO 0.00 0.59 -0.08 -0.07 0.00 0.00 0.00 179.25 179.69 2hxx h LEU 41 N 0.32 -0.19 0.00 0.00 4.07 -1.64 1.02 115.31 118.88 2hxx h LEU 41 Ca 0.03 -0.21 0.00 0.00 0.08 0.00 0.00 57.88 57.78 2hxx h LEU 41 Cb 0.80 0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.59 2hxx h LEU 41 CO 0.06 0.36 0.00 0.35 -1.08 0.00 0.00 178.44 178.13 2hxx n THR 42 N -4.91 0.00 -2.01 0.22 -2.24 -1.24 -4.23 114.28 99.87 2hxx n THR 42 Ca -0.05 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.68 2hxx n THR 42 Cb 0.20 -0.61 -0.05 0.00 -2.10 0.00 0.00 70.33 67.77 2hxx n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hxx n GLY 43 N 0.42 0.64 0.65 3.38 0.00 0.10 -5.04 105.19 105.34 2hxx n GLY 43 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2hxx n GLY 43 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2hxx n VAL 45 N 0.01 0.00 -3.41 1.61 0.31 0.35 -4.84 118.33 112.36 2hxx n VAL 45 Ca -0.20 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.73 2hxx n VAL 45 Cb 0.66 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.50 2hxx n VAL 45 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2hxx s GLU 46 N -0.77 3.58 0.66 5.55 2.12 -1.26 -4.97 118.70 123.61 2hxx s GLU 46 Ca 0.00 -0.41 -0.09 0.00 0.36 0.00 0.00 54.97 54.83 2hxx s GLU 46 Cb 0.00 -3.80 0.01 0.00 0.26 0.00 0.00 34.13 30.60 2hxx s GLU 46 CO 0.00 -0.51 1.02 0.71 -0.54 0.00 0.00 175.26 175.94 2hxx s TYR 47 N 2.00 3.31 0.55 5.30 2.02 -1.26 -4.54 117.35 124.73 2hxx s TYR 47 Ca 0.12 0.90 -0.13 0.00 -0.37 0.00 0.00 57.07 57.59 2hxx s TYR 47 Cb -0.17 -2.92 -0.06 0.00 -0.40 0.00 0.00 41.96 38.41 2hxx s TYR 47 CO 0.12 -1.02 0.96 -2.14 -1.57 0.00 0.00 175.55 171.90 2hxx s PRO 48 N -5.21 3.75 0.05 -1.71 0.02 -1.26 -5.10 135.00 125.54 2hxx s PRO 48 Ca 0.56 0.75 0.09 0.00 0.02 0.00 0.00 61.00 62.42 2hxx s PRO 48 Cb -0.11 -2.16 -0.03 0.00 0.02 0.00 0.00 34.50 32.22 2hxx s PRO 48 CO 0.49 -0.37 -0.25 -1.17 -0.33 0.00 0.00 177.00 175.37 2hxx s LEU 49 N -4.58 2.17 -0.30 -5.54 2.96 0.32 -4.68 118.68 109.03 2hxx s LEU 49 Ca 0.55 -0.58 -0.00 0.00 -0.22 0.00 0.00 54.13 53.88 2hxx s LEU 49 Cb -0.10 -1.22 0.06 0.00 0.50 0.00 0.00 46.19 45.43 2hxx s LEU 49 CO 0.42 0.23 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.99 2hxx s VAL 50 N -0.82 2.77 -0.29 1.68 1.01 0.33 -1.07 120.40 124.01 2hxx s VAL 50 Ca 0.11 -1.55 -0.10 0.00 0.00 0.00 0.00 61.98 60.44 2hxx s VAL 50 Cb -0.10 -2.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.61 2hxx s VAL 50 CO 0.02 -0.16 0.15 -0.22 0.00 0.00 0.00 175.10 174.89 2hxx s LEU 51 N 1.19 4.00 0.54 3.92 0.20 -0.31 -0.92 118.68 127.29 2hxx s LEU 51 Ca -0.04 -0.32 0.07 0.00 0.69 0.00 0.00 54.13 54.52 2hxx s LEU 51 Cb -0.20 -2.03 0.05 0.00 -0.43 0.00 0.00 46.19 43.58 2hxx s LEU 51 CO -0.03 -0.13 0.52 -0.70 -0.29 0.00 0.00 176.35 175.72 2hxx s GLU 52 N 1.66 2.30 0.00 1.98 2.12 -0.08 -0.44 118.70 126.24 2hxx s GLU 52 Ca 0.06 -1.86 0.00 0.00 0.36 0.00 0.00 54.97 53.53 2hxx s GLU 52 Cb -0.16 -2.29 0.00 0.00 0.26 0.00 0.00 34.13 31.93 2hxx s GLU 52 CO 0.07 -0.66 0.00 2.89 -0.54 0.00 0.00 175.26 177.03 2hxx n ARG 54 N -1.89 0.00 -3.63 4.30 1.85 -0.79 -0.53 116.66 115.97 2hxx n ARG 54 Ca 0.04 0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.69 2hxx n ARG 54 Cb 0.63 0.00 0.05 0.00 -1.05 0.00 0.00 32.46 32.09 2hxx n ARG 54 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2hxx n GLN 55 N -0.68 -5.56 -2.85 2.89 1.13 0.64 -0.69 117.38 112.24 2hxx n GLN 55 Ca 0.00 0.70 -0.43 0.00 -1.94 0.00 0.00 57.00 55.32 2hxx n GLN 55 Cb 0.00 -5.43 -0.02 0.00 0.11 0.00 0.00 30.24 24.90 2hxx n GLN 55 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 2hxx s PHE 56 N -3.55 3.07 0.00 1.08 0.08 -1.26 -3.26 117.98 114.15 2hxx s PHE 56 Ca 0.05 -1.44 0.00 0.00 0.12 0.00 0.00 56.93 55.66 2hxx s PHE 56 Cb -0.03 -4.38 0.00 0.00 -0.57 0.00 0.00 43.02 38.05 2hxx s PHE 56 CO 0.79 -1.56 0.00 0.39 -0.10 0.00 0.00 175.22 174.73 2hxx n GLU 57 N 6.87 0.00 0.00 0.44 4.71 -1.26 -5.03 120.64 126.37 2hxx n GLU 57 Ca 0.29 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.44 2hxx n GLU 57 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.91 2hxx n GLU 57 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 2hxx n GLN 58 N -0.24 0.00 0.00 3.49 1.13 -1.26 -3.97 117.38 116.53 2hxx n GLN 58 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2hxx n GLN 58 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 2hxx n GLN 58 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2hxx n SER 59 N -1.57 0.00 -3.54 1.08 2.88 -1.26 -0.21 113.62 111.00 2hxx n SER 59 Ca 0.00 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.18 2hxx n SER 59 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 2hxx n SER 59 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2hxx n LYS 60 N 0.00 4.12 0.00 -1.46 4.76 -1.26 -4.84 118.16 119.48 2hxx n LYS 60 Ca 0.00 -4.69 0.00 0.00 -2.87 0.00 0.00 58.31 50.75 2hxx n LYS 60 Cb 0.00 -2.39 0.00 0.00 -1.84 0.00 0.00 35.03 30.80 2hxx n LYS 60 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2hxx n GLN 61 N 0.45 0.00 0.00 1.97 6.02 0.70 -0.67 117.38 125.85 2hxx n GLN 61 Ca 0.34 0.16 0.00 0.00 -0.01 0.00 0.00 57.00 57.49 2hxx n GLN 61 Cb 0.34 -1.55 0.00 0.00 1.02 0.00 0.00 30.24 30.05 2hxx n GLN 61 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2hxx n LEU 62 N -1.09 1.63 -1.36 1.08 4.77 -1.26 -4.64 117.00 116.13 2hxx n LEU 62 Ca 0.00 -0.82 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 2hxx n LEU 62 Cb 0.05 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 2hxx n LEU 62 CO 0.00 0.29 0.00 0.41 -1.33 0.00 0.00 177.39 176.76 2hxx n THR 63 N 0.47 -1.66 -1.61 -5.08 -1.04 -0.42 -4.85 114.28 100.09 2hxx n THR 63 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.86 2hxx n THR 63 Cb 0.29 -3.55 -0.11 0.00 -1.82 0.00 0.00 70.33 65.14 2hxx n THR 63 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2hxx s GLU 64 N -1.32 1.26 0.02 -2.82 2.12 0.15 -4.81 118.70 113.31 2hxx s GLU 64 Ca 0.00 -0.29 -0.09 0.00 0.36 0.00 0.00 54.97 54.95 2hxx s GLU 64 Cb 0.00 -4.95 -0.05 0.00 0.26 0.00 0.00 34.13 29.39 2hxx s GLU 64 CO 0.00 -5.31 0.21 0.09 -0.54 0.00 0.00 175.26 169.71 2hxx n ASN 65 N 19.45 -0.10 -1.17 -1.70 5.03 -1.26 -4.63 115.26 130.88 2hxx n ASN 65 Ca 0.42 0.27 0.00 0.00 0.87 0.00 0.00 54.58 56.15 2hxx n ASN 65 Cb 0.46 -0.22 0.00 0.00 -1.02 0.00 0.00 39.78 39.00 2hxx n ASN 65 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2hxx n GLY 66 N 0.40 -3.80 0.00 7.41 0.00 -1.26 -4.71 105.19 103.22 2hxx n GLY 66 Ca 0.05 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2hxx n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hxx n ALA 67 N 0.49 0.00 0.20 4.61 0.00 -1.26 -4.59 120.51 119.96 2hxx n ALA 67 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 2hxx n ALA 67 Cb 0.00 0.00 0.41 0.00 0.00 0.00 0.00 19.45 19.86 2hxx n ALA 67 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2hxx h GLU 68 N 0.00 0.00 -0.22 0.00 4.57 -1.96 -1.73 114.58 115.24 2hxx h GLU 68 Ca 0.00 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.05 2hxx h GLU 68 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 2hxx h GLU 68 CO 0.00 0.34 -0.42 0.66 -1.18 0.00 0.00 179.01 178.41 2hxx h SER 69 N 0.00 0.56 0.14 1.04 4.64 -2.00 -0.52 113.55 117.40 2hxx h SER 69 Ca -0.00 -0.25 -0.17 0.00 -0.47 0.00 0.00 61.79 60.89 2hxx h SER 69 Cb 0.72 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.65 2hxx h SER 69 CO 0.04 0.91 -0.65 0.58 -0.87 0.00 0.00 176.83 176.84 2hxx h VAL 70 N 0.43 1.35 -0.19 0.95 2.07 -1.84 -2.96 116.25 116.06 2hxx h VAL 70 Ca 0.03 -1.97 -0.12 0.00 0.82 0.00 0.00 66.70 65.46 2hxx h VAL 70 Cb 0.91 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 2hxx h VAL 70 CO 0.08 0.60 -0.41 0.25 0.02 0.00 0.00 177.57 178.11 2hxx h LEU 71 N 0.35 0.46 -0.67 2.57 5.85 -1.08 -3.08 115.31 119.72 2hxx h LEU 71 Ca -0.01 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.55 2hxx h LEU 71 Cb 1.21 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.06 2hxx h LEU 71 CO 0.12 0.82 0.39 1.56 -0.34 0.00 0.00 178.44 181.00 2hxx h GLN 72 N 0.36 0.73 -0.93 1.25 1.08 -0.93 -1.23 115.11 115.44 2hxx h GLN 72 Ca 0.03 -0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.23 2hxx h GLN 72 Cb 0.87 -0.16 -0.05 0.00 -0.05 0.00 0.00 27.48 28.09 2hxx h GLN 72 CO 0.07 0.48 0.61 0.28 -0.95 0.00 0.00 178.83 179.33 2hxx h VAL 73 N 0.75 1.15 -0.33 -0.54 2.07 -1.45 -0.73 116.25 117.17 2hxx h VAL 73 Ca 0.29 -0.40 -0.15 0.00 0.82 0.00 0.00 66.70 67.26 2hxx h VAL 73 Cb 0.11 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 2hxx h VAL 73 CO -0.15 0.21 -0.38 -0.26 0.02 0.00 0.00 177.57 177.02 2hxx h PHE 74 N 1.16 0.93 -0.07 1.57 0.04 -1.34 -2.90 116.94 116.33 2hxx h PHE 74 Ca 0.37 -0.27 -0.07 0.00 2.80 0.00 0.00 57.97 60.80 2hxx h PHE 74 Cb 0.03 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 37.97 2hxx h PHE 74 CO -0.00 1.04 -0.30 0.00 -0.60 0.00 0.00 178.31 178.45 2hxx h ARG 75 N 0.64 0.13 0.05 1.51 3.08 -0.05 -2.50 114.38 117.24 2hxx h ARG 75 Ca 0.06 -0.04 -0.25 0.00 0.07 0.00 0.00 59.98 59.82 2hxx h ARG 75 Cb 0.93 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.98 2hxx h ARG 75 CO 0.09 0.42 -1.06 0.93 -1.07 0.00 0.00 179.97 179.27 2hxx h GLU 76 N 0.11 0.38 -0.60 0.04 5.08 -1.25 0.14 114.58 118.48 2hxx h GLU 76 Ca 0.02 -0.47 0.04 0.00 -1.00 0.00 0.00 59.36 57.94 2hxx h GLU 76 Cb 0.59 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 2hxx h GLU 76 CO 0.04 1.16 0.39 0.00 -1.00 0.00 0.00 179.01 179.61 2hxx h ALA 77 N 0.66 1.71 -0.15 3.43 0.00 -1.33 -1.34 119.26 122.24 2hxx h ALA 77 Ca -0.10 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.56 2hxx h ALA 77 Cb 1.73 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 19.34 2hxx h ALA 77 CO 0.18 0.22 -0.76 -0.22 0.00 0.00 0.00 179.25 178.67 2hxx h LYS 78 N 0.67 0.78 -0.00 0.00 3.64 -1.22 0.11 116.57 120.55 2hxx h LYS 78 Ca 0.24 -0.64 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 2hxx h LYS 78 Cb 0.12 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2hxx h LYS 78 CO -0.07 1.24 0.08 0.00 -2.27 0.00 0.00 179.45 178.43 2hxx h ALA 79 N 0.54 1.08 -0.89 5.00 0.00 0.34 -2.75 119.26 122.58 2hxx h ALA 79 Ca -0.05 -0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.33 2hxx h ALA 79 Cb 1.39 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 18.75 2hxx h ALA 79 CO 0.16 -0.08 -0.84 -1.91 0.00 0.00 0.00 179.25 176.58 2hxx n GLU 80 N -3.04 3.37 0.00 0.00 2.13 -0.68 -4.98 120.64 117.44 2hxx n GLU 80 Ca -0.03 -4.16 0.00 0.00 0.66 0.00 0.00 57.16 53.63 2hxx n GLU 80 Cb 0.14 -2.19 0.00 0.00 0.27 0.00 0.00 31.44 29.66 2hxx n GLU 80 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2hxx n GLY 81 N -0.64 3.30 3.68 8.31 0.00 -1.04 -5.02 105.19 113.78 2hxx n GLY 81 Ca 0.39 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.95 2hxx n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hxx n ALA 82 N -1.21 1.37 -1.40 4.61 0.00 0.01 -4.73 120.51 119.16 2hxx n ALA 82 Ca 0.00 0.35 -0.42 0.00 0.00 0.00 0.00 53.44 53.37 2hxx n ALA 82 Cb 0.00 -2.46 -0.04 0.00 0.00 0.00 0.00 19.45 16.94 2hxx n ALA 82 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2hxx n ASP 83 N 5.15 2.94 -4.31 0.00 -0.08 -1.26 -4.40 116.55 114.59 2hxx n ASP 83 Ca 0.19 -2.72 -0.35 0.00 -1.51 0.00 0.00 54.79 50.40 2hxx n ASP 83 Cb 0.31 -1.30 -0.14 0.00 2.34 0.00 0.00 41.12 42.33 2hxx n ASP 83 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2hxx s ILE 84 N 5.06 3.43 -0.27 5.18 1.01 -1.26 -0.52 121.20 133.82 2hxx s ILE 84 Ca 0.56 -0.54 -0.10 0.00 0.00 0.00 0.00 60.65 60.57 2hxx s ILE 84 Cb 0.13 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 2hxx s ILE 84 CO 0.07 0.37 0.15 -0.89 0.00 0.00 0.00 174.94 174.64 2hxx s THR 85 N 1.47 4.91 -0.25 2.92 2.01 -0.23 -4.88 115.64 121.60 2hxx s THR 85 Ca 0.05 -0.01 -0.12 0.00 0.31 0.00 0.00 61.69 61.93 2hxx s THR 85 Cb -0.15 -3.34 -0.05 0.00 0.01 0.00 0.00 72.50 68.97 2hxx s THR 85 CO -0.03 0.26 0.23 -0.63 -0.69 0.00 0.00 174.62 173.76 2hxx s ILE 86 N 1.70 5.30 -0.33 1.82 -1.09 -1.26 -1.16 121.20 126.18 2hxx s ILE 86 Ca 0.07 0.31 -0.09 0.00 -2.23 0.00 0.00 60.65 58.70 2hxx s ILE 86 Cb -0.16 -3.57 0.01 0.00 -1.58 0.00 0.00 42.46 37.17 2hxx s ILE 86 CO 0.08 0.29 0.14 -0.63 -1.23 0.00 0.00 174.94 173.59 2hxx s ILE 87 N 1.38 4.36 -0.44 2.92 -1.09 0.42 -5.00 121.20 123.76 2hxx s ILE 87 Ca 0.10 -0.66 -0.19 0.00 -2.23 0.00 0.00 60.65 57.67 2hxx s ILE 87 Cb -0.15 -3.31 0.03 0.00 -1.58 0.00 0.00 42.46 37.46 2hxx s ILE 87 CO 0.07 -0.03 0.53 -0.76 -1.23 0.00 0.00 174.94 173.52 2hxx s LEU 88 N 1.55 4.82 0.00 2.97 1.43 -1.26 -4.37 118.68 123.82 2hxx s LEU 88 Ca 0.03 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 2hxx s LEU 88 Cb -0.18 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.56 2hxx s LEU 88 CO 0.05 -0.70 0.00 -1.54 0.23 0.00 0.00 176.35 174.39