#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qam n PHE 2 N 0.00 -3.34 -2.89 1.12 3.72 -1.26 -3.87 117.46 110.94 2qam n PHE 2 Ca 0.00 1.35 -0.40 0.00 -0.05 0.00 0.00 57.45 58.35 2qam n PHE 2 Cb 0.00 -3.69 -0.06 0.00 -0.94 0.00 0.00 39.48 34.79 2qam n PHE 2 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2qam s THR 3 N -2.43 4.31 -0.33 4.37 -4.23 -1.25 0.12 115.64 116.20 2qam s THR 3 Ca 0.27 1.84 0.01 0.00 -1.18 0.00 0.00 61.69 62.63 2qam s THR 3 Cb -0.06 -4.21 0.10 0.00 1.34 0.00 0.00 72.50 69.67 2qam s THR 3 CO 0.79 0.49 0.09 -0.63 -0.54 0.00 0.00 174.62 174.82 2qam s ILE 4 N -1.01 1.37 -0.14 2.99 1.01 0.71 -4.89 121.20 121.24 2qam s ILE 4 Ca 0.38 -1.79 -0.29 0.00 0.00 0.00 0.00 60.65 58.95 2qam s ILE 4 Cb -0.24 -2.02 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 2qam s ILE 4 CO 0.28 -0.67 1.28 0.54 0.00 0.00 0.00 174.94 176.37 2qam s ASN 5 N 1.30 6.94 0.34 3.58 4.22 -1.26 0.82 114.94 130.88 2qam s ASN 5 Ca 0.11 1.76 -0.13 0.00 -2.14 0.00 0.00 52.86 52.46 2qam s ASN 5 Cb -0.18 -2.54 0.03 0.00 1.28 0.00 0.00 41.25 39.84 2qam s ASN 5 CO -0.18 -0.74 0.66 0.00 -2.04 0.00 0.00 177.10 174.80 2qam s ALA 6 N 3.29 -0.37 0.01 3.54 0.00 -1.00 -4.24 121.76 123.00 2qam s ALA 6 Ca 0.56 -0.90 -0.07 0.00 0.00 0.00 0.00 51.96 51.55 2qam s ALA 6 Cb -0.23 0.87 -0.00 0.00 0.00 0.00 0.00 23.12 23.76 2qam s ALA 6 CO 0.17 -0.93 0.14 -1.83 0.00 0.00 0.00 175.76 173.31 2qam s GLU 7 N -2.93 0.54 0.22 0.00 1.03 -1.26 -4.39 118.70 111.92 2qam s GLU 7 Ca 0.19 -0.50 -0.32 0.00 0.03 0.00 0.00 54.97 54.38 2qam s GLU 7 Cb -0.04 0.22 -0.12 0.00 -0.80 0.00 0.00 34.13 33.39 2qam s GLU 7 CO 0.13 -0.14 1.68 0.28 -1.33 0.00 0.00 175.26 175.88 2qam n VAL 8 N 1.20 0.21 -1.74 1.83 0.31 -1.26 0.26 118.33 119.14 2qam n VAL 8 Ca -0.21 -0.05 -0.41 0.00 -0.01 0.00 0.00 64.34 63.65 2qam n VAL 8 Cb 0.57 -1.92 0.01 0.00 -0.91 0.00 0.00 33.84 31.58 2qam n VAL 8 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2qam n ARG 9 N 3.53 2.29 0.07 5.55 5.12 0.29 -4.74 116.66 128.76 2qam n ARG 9 Ca 0.15 0.81 -0.16 0.00 -1.93 0.00 0.00 57.85 56.72 2qam n ARG 9 Cb 0.34 -2.54 -0.14 0.00 -1.16 0.00 0.00 32.46 28.97 2qam n ARG 9 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 2qam h LYS 10 N 2.48 0.23 0.00 5.56 3.64 -1.91 -3.48 116.57 123.09 2qam h LYS 10 Ca -0.49 -0.39 0.00 0.00 -1.27 0.00 0.00 60.65 58.49 2qam h LYS 10 Cb 1.27 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.24 2qam h LYS 10 CO 0.62 1.10 0.00 0.39 -2.27 0.00 0.00 179.45 179.29 2qam n GLU 11 N -3.44 0.27 -3.70 1.90 1.02 -1.26 -5.19 120.64 110.24 2qam n GLU 11 Ca -0.14 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 56.99 2qam n GLU 11 Cb 1.03 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 32.45 2qam n GLU 11 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 2qam s GLN 12 N 1.26 0.78 0.00 3.49 1.03 -1.26 -4.93 119.66 120.03 2qam s GLN 12 Ca 0.00 -0.44 0.00 0.00 0.04 0.00 0.00 55.36 54.96 2qam s GLN 12 Cb 0.00 0.26 0.00 0.00 0.03 0.00 0.00 33.01 33.30 2qam s GLN 12 CO 0.00 -0.36 0.00 0.41 -2.54 0.00 0.00 175.29 172.80 2qam n GLY 13 N -0.50 1.85 0.32 2.60 0.00 -1.26 -4.36 105.19 103.84 2qam n GLY 13 Ca -0.07 -1.95 0.16 0.00 0.00 0.00 0.00 46.02 44.16 2qam n GLY 13 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2qam h LYS 14 N 0.00 0.34 0.00 1.61 3.64 -2.02 -2.16 116.57 117.97 2qam h LYS 14 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2qam h LYS 14 Cb 0.00 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 2qam h LYS 14 CO 0.00 0.22 0.00 0.41 -2.27 0.00 0.00 179.45 177.81 2qam n GLY 15 N -1.33 -2.78 0.42 5.01 0.00 -1.26 -2.31 105.19 102.93 2qam n GLY 15 Ca 0.25 0.06 -0.12 0.00 0.00 0.00 0.00 46.02 46.21 2qam n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qam h ALA 16 N -2.04 -0.67 -0.93 4.61 0.00 -1.75 -2.38 119.26 116.10 2qam h ALA 16 Ca 0.00 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.06 2qam h ALA 16 Cb 0.00 1.19 -0.13 0.00 0.00 0.00 0.00 17.79 18.85 2qam h ALA 16 CO 0.00 -0.98 -0.49 0.77 0.00 0.00 0.00 179.25 178.55 2qam h SER 17 N -0.25 -1.79 -0.69 0.00 0.02 -1.53 0.54 113.55 109.85 2qam h SER 17 Ca 0.10 0.31 0.15 0.00 -0.84 0.00 0.00 61.79 61.51 2qam h SER 17 Cb 0.50 0.84 -0.04 0.00 0.14 0.00 0.00 62.40 63.84 2qam h SER 17 CO -0.67 -0.27 0.47 -0.09 -1.14 0.00 0.00 176.83 175.13 2qam h ARG 18 N -0.04 0.26 -0.23 3.45 9.65 -1.02 -0.57 114.38 125.88 2qam h ARG 18 Ca 0.23 -0.02 -0.11 0.00 -1.10 0.00 0.00 59.98 58.99 2qam h ARG 18 Cb 0.51 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 29.03 2qam h ARG 18 CO -0.92 0.18 -0.29 0.00 2.80 0.00 0.00 179.97 181.74 2qam h ARG 19 N 0.27 0.60 -0.44 0.20 3.08 0.30 -3.18 114.38 115.22 2qam h ARG 19 Ca 0.34 -0.34 0.06 0.00 0.07 0.00 0.00 59.98 60.11 2qam h ARG 19 Cb 0.93 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.95 2qam h ARG 19 CO -0.08 0.94 0.12 -0.07 -1.07 0.00 0.00 179.97 179.82 2qam h LEU 20 N 0.30 0.08 -1.80 3.04 3.38 0.15 -1.21 115.31 119.25 2qam h LEU 20 Ca 0.03 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.09 2qam h LEU 20 Cb 0.86 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 2qam h LEU 20 CO 0.07 0.08 0.19 0.03 0.09 0.00 0.00 178.44 178.89 2qam h ARG 21 N 0.27 0.25 0.00 1.13 3.08 -1.46 0.14 114.38 117.79 2qam h ARG 21 Ca 0.21 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 2qam h ARG 21 Cb 0.24 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 2qam h ARG 21 CO -0.25 0.17 -0.03 0.00 -1.07 0.00 0.00 179.97 178.78 2qam h ALA 22 N 1.84 1.29 -0.67 0.04 0.00 -1.19 -1.22 119.26 119.35 2qam h ALA 22 Ca 0.11 -0.03 -0.44 0.00 0.00 0.00 0.00 54.91 54.55 2qam h ALA 22 Cb 0.14 -0.01 -0.28 0.00 0.00 0.00 0.00 17.79 17.65 2qam h ALA 22 CO -0.02 0.04 -0.12 0.00 0.00 0.00 0.00 179.25 179.15 2qam n ALA 23 N -2.23 5.10 0.00 0.00 0.00 0.49 -4.98 120.51 118.89 2qam n ALA 23 Ca -0.02 -3.47 0.00 0.00 0.00 0.00 0.00 53.44 49.95 2qam n ALA 23 Cb 0.13 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.74 2qam n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qam n ASN 24 N -0.92 0.00 -4.52 0.00 4.13 -0.46 -4.84 115.26 108.65 2qam n ASN 24 Ca 0.45 0.00 -0.28 0.00 1.68 0.00 0.00 54.58 56.43 2qam n ASN 24 Cb 0.94 0.00 -0.14 0.00 -1.54 0.00 0.00 39.78 39.03 2qam n ASN 24 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2qam n LYS 25 N 0.00 0.27 -3.35 3.52 5.02 -1.21 -3.16 118.16 119.25 2qam n LYS 25 Ca 0.00 -0.17 -0.38 0.00 -2.02 0.00 0.00 58.31 55.74 2qam n LYS 25 Cb 0.00 -2.05 -0.06 0.00 -0.02 0.00 0.00 35.03 32.90 2qam n LYS 25 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 2qam s PHE 26 N 7.46 3.69 1.03 2.13 -0.12 -0.65 -3.31 117.98 128.21 2qam s PHE 26 Ca 1.20 1.07 -0.12 0.00 -0.05 0.00 0.00 56.93 59.03 2qam s PHE 26 Cb -0.73 -2.46 0.21 0.00 -0.63 0.00 0.00 43.02 39.42 2qam s PHE 26 CO 0.40 0.47 1.07 -1.25 -0.05 0.00 0.00 175.22 175.86 2qam s PRO 27 N -0.52 0.15 0.04 1.99 0.04 -1.25 -3.01 135.00 132.44 2qam s PRO 27 Ca 0.27 0.74 -0.20 0.00 0.04 0.00 0.00 61.00 61.84 2qam s PRO 27 Cb -0.17 -1.69 0.07 0.00 0.04 0.00 0.00 34.50 32.75 2qam s PRO 27 CO 0.15 -2.98 0.93 0.00 0.04 0.00 0.00 177.00 175.14 2qam n ALA 28 N -4.38 -2.58 -2.55 8.56 0.00 -0.51 -4.02 120.51 115.03 2qam n ALA 28 Ca 0.05 -0.68 -0.09 0.00 0.00 0.00 0.00 53.44 52.72 2qam n ALA 28 Cb 0.56 0.23 -0.07 0.00 0.00 0.00 0.00 19.45 20.16 2qam n ALA 28 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2qam s ILE 29 N -2.09 0.14 -0.33 0.00 -5.25 -1.22 -2.55 121.20 109.89 2qam s ILE 29 Ca 0.22 -1.23 -0.01 0.00 -0.99 0.00 0.00 60.65 58.64 2qam s ILE 29 Cb -0.01 -1.40 0.12 0.00 2.95 0.00 0.00 42.46 44.11 2qam s ILE 29 CO 0.01 -0.62 0.17 -0.63 -1.79 0.00 0.00 174.94 172.08 2qam s ILE 30 N -3.88 0.35 0.34 8.37 1.01 -0.05 -1.39 121.20 125.95 2qam s ILE 30 Ca 0.06 -1.45 0.09 0.00 0.00 0.00 0.00 60.65 59.35 2qam s ILE 30 Cb 0.05 -1.27 -0.05 0.00 0.01 0.00 0.00 42.46 41.20 2qam s ILE 30 CO -0.10 -0.84 0.09 -0.72 0.00 0.00 0.00 174.94 173.37 2qam s TYR 31 N 1.42 2.65 0.00 3.97 -0.85 -0.79 -0.78 117.35 122.97 2qam s TYR 31 Ca 0.14 -0.40 0.00 0.00 -0.52 0.00 0.00 57.07 56.28 2qam s TYR 31 Cb -0.20 -1.58 0.00 0.00 0.38 0.00 0.00 41.96 40.56 2qam s TYR 31 CO -0.16 0.40 0.00 0.41 -1.52 0.00 0.00 175.55 174.68 2qam n GLY 32 N -1.07 2.48 7.00 5.49 0.00 -1.26 0.27 105.19 118.10 2qam n GLY 32 Ca -0.04 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.91 2qam n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qam n GLY 33 N -1.22 2.62 0.11 -0.02 0.00 -1.26 -4.08 105.19 101.33 2qam n GLY 33 Ca 0.00 -0.43 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 2qam n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qam n LYS 34 N 13.66 0.56 -1.74 1.61 5.02 -1.26 -4.96 118.16 131.05 2qam n LYS 34 Ca 0.00 0.41 -0.42 0.00 -2.02 0.00 0.00 58.31 56.29 2qam n LYS 34 Cb 0.00 -1.61 -0.00 0.00 -0.02 0.00 0.00 35.03 33.40 2qam n LYS 34 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2qam n GLU 35 N -4.38 2.46 -1.04 1.97 0.28 -1.26 -4.98 120.64 113.69 2qam n GLU 35 Ca -0.37 0.86 -0.30 0.00 -0.16 0.00 0.00 57.16 57.20 2qam n GLU 35 Cb 0.71 -2.54 0.16 0.00 1.43 0.00 0.00 31.44 31.20 2qam n GLU 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2qam s ALA 36 N -1.03 1.22 0.31 -1.84 0.00 -1.26 -4.29 121.76 114.87 2qam s ALA 36 Ca 0.55 0.01 -0.27 0.00 0.00 0.00 0.00 51.96 52.25 2qam s ALA 36 Cb -0.52 -3.23 -0.14 0.00 0.00 0.00 0.00 23.12 19.24 2qam s ALA 36 CO 0.62 -2.64 0.92 -2.30 0.00 0.00 0.00 175.76 172.36 2qam n PRO 37 N -4.09 1.15 -3.83 0.00 -0.02 -1.26 -4.82 135.00 122.13 2qam n PRO 37 Ca 0.07 0.41 -0.36 0.00 -2.02 0.00 0.00 63.50 61.60 2qam n PRO 37 Cb 0.55 -1.76 -0.13 0.00 -0.02 0.00 0.00 33.50 32.13 2qam n PRO 37 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2qam s LEU 38 N 0.68 3.27 -0.40 2.45 2.96 0.04 -4.88 118.68 122.80 2qam s LEU 38 Ca 0.60 -0.43 -0.20 0.00 -0.22 0.00 0.00 54.13 53.89 2qam s LEU 38 Cb -0.69 -1.82 0.01 0.00 0.50 0.00 0.00 46.19 44.19 2qam s LEU 38 CO 0.59 -0.07 0.59 0.00 -1.32 0.00 0.00 176.35 176.15 2qam s ALA 39 N 1.52 3.40 0.24 5.97 0.00 -1.26 -0.87 121.76 130.76 2qam s ALA 39 Ca 0.05 -1.14 0.06 0.00 0.00 0.00 0.00 51.96 50.93 2qam s ALA 39 Cb -0.15 -3.19 -0.05 0.00 0.00 0.00 0.00 23.12 19.72 2qam s ALA 39 CO -0.00 -1.57 -0.07 0.96 0.00 0.00 0.00 175.76 175.08 2qam s ILE 40 N 2.64 1.52 -0.57 0.00 -0.00 -1.06 0.10 121.20 123.83 2qam s ILE 40 Ca 0.21 -2.12 0.04 0.00 -0.00 0.00 0.00 60.65 58.78 2qam s ILE 40 Cb -0.15 -2.30 0.17 0.00 -0.00 0.00 0.00 42.46 40.18 2qam s ILE 40 CO 0.16 -0.40 0.42 -1.83 -0.00 0.00 0.00 174.94 173.30 2qam s GLU 41 N -3.74 1.75 0.47 0.37 -1.05 0.14 -1.43 118.70 115.22 2qam s GLU 41 Ca 0.27 -2.78 -0.21 0.00 -0.15 0.00 0.00 54.97 52.09 2qam s GLU 41 Cb 0.03 -2.51 -0.08 0.00 -0.44 0.00 0.00 34.13 31.13 2qam s GLU 41 CO 0.09 -1.33 1.07 -0.48 0.95 0.00 0.00 175.26 175.57 2qam s LEU 42 N -0.76 3.93 0.65 1.83 2.34 -1.16 -4.17 118.68 121.34 2qam s LEU 42 Ca 0.28 2.05 -0.18 0.00 0.06 0.00 0.00 54.13 56.35 2qam s LEU 42 Cb -0.01 -4.42 -0.01 0.00 -0.56 0.00 0.00 46.19 41.19 2qam s LEU 42 CO -0.18 -0.80 1.27 -0.62 -1.06 0.00 0.00 176.35 174.97 2qam s ASP 43 N -1.75 4.60 0.00 1.48 -1.08 -1.26 -1.64 116.67 117.02 2qam s ASP 43 Ca 0.65 2.56 0.00 0.00 -0.52 0.00 0.00 52.55 55.24 2qam s ASP 43 Cb -0.21 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.64 2qam s ASP 43 CO 0.25 -2.00 0.15 1.57 0.52 0.00 0.00 175.17 175.66 2qam n HIS 44 N -1.99 0.00 -0.24 -5.34 -0.00 -1.19 -2.99 115.22 103.48 2qam n HIS 44 Ca 0.15 0.00 0.19 0.00 -0.00 0.00 0.00 57.72 58.07 2qam n HIS 44 Cb 0.49 0.00 0.36 0.00 -0.00 0.00 0.00 29.99 30.84 2qam n HIS 44 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 2qam n ASP 45 N -0.45 0.15 0.33 0.26 8.00 -1.26 0.67 116.55 124.24 2qam n ASP 45 Ca 0.00 1.21 -0.13 0.00 0.71 0.00 0.00 54.79 56.58 2qam n ASP 45 Cb 0.00 -0.54 -0.06 0.00 -0.02 0.00 0.00 41.12 40.50 2qam n ASP 45 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2qam h LYS 46 N 0.00 -0.81 0.00 -1.24 6.56 -1.98 -2.70 116.57 116.40 2qam h LYS 46 Ca 0.56 0.05 -0.04 0.00 -1.06 0.00 0.00 60.65 60.17 2qam h LYS 46 Cb 1.40 0.18 -0.01 0.00 -0.57 0.00 0.00 32.23 33.24 2qam h LYS 46 CO -0.59 -0.54 -0.18 0.28 -2.06 0.00 0.00 179.45 176.36 2qam h VAL 47 N -0.88 0.62 -0.31 0.50 2.07 -0.77 -2.98 116.25 114.50 2qam h VAL 47 Ca -0.09 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 2qam h VAL 47 Cb 0.64 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 2qam h VAL 47 CO 0.14 0.18 0.17 -0.03 0.02 0.00 0.00 177.57 178.05 2qam h MET 48 N 0.00 0.44 0.00 1.57 -1.53 0.30 -2.51 114.93 113.20 2qam h MET 48 Ca -0.00 -0.05 -0.03 0.00 -3.44 0.00 0.00 59.70 56.18 2qam h MET 48 Cb 0.51 -0.09 -0.00 0.00 -0.55 0.00 0.00 31.60 31.47 2qam h MET 48 CO 0.02 0.38 -0.14 -0.91 0.14 0.00 0.00 176.91 176.41 2qam h ASN 49 N 0.39 0.00 -0.25 1.39 -0.26 -1.39 -3.24 115.58 112.21 2qam h ASN 49 Ca 0.11 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.79 2qam h ASN 49 Cb 0.07 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.32 2qam h ASN 49 CO -0.02 0.14 -0.07 0.24 -1.06 0.00 0.00 177.43 176.66 2qam h MET 50 N 0.00 0.50 0.00 0.81 2.86 -1.34 -2.75 114.93 115.01 2qam h MET 50 Ca -0.00 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 2qam h MET 50 Cb 0.98 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.62 2qam h MET 50 CO 0.02 0.72 0.00 0.00 1.06 0.00 0.00 176.91 178.71 2qam n GLN 51 N -4.53 0.19 0.29 1.72 -0.00 -0.97 -2.43 117.38 111.64 2qam n GLN 51 Ca -0.04 0.43 0.16 0.00 -0.00 0.00 0.00 57.00 57.56 2qam n GLN 51 Cb 0.31 -1.87 0.87 0.00 -0.00 0.00 0.00 30.24 29.55 2qam n GLN 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2qam h ALA 52 N 2.26 1.20 -2.76 2.61 0.00 -1.51 -3.41 119.26 117.65 2qam h ALA 52 Ca 0.00 -0.05 -0.59 0.00 0.00 0.00 0.00 54.91 54.27 2qam h ALA 52 Cb 0.35 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.03 2qam h ALA 52 CO 0.00 0.07 -0.07 0.15 0.00 0.00 0.00 179.25 179.40 2qam s LYS 53 N -4.16 4.22 0.66 0.00 -0.14 -1.02 -4.93 119.74 114.37 2qam s LYS 53 Ca -0.03 0.41 0.21 0.00 -1.36 0.00 0.00 55.97 55.20 2qam s LYS 53 Cb 0.13 -3.53 1.14 0.00 -1.68 0.00 0.00 37.83 33.88 2qam s LYS 53 CO 0.53 -0.08 1.64 0.00 -0.76 0.00 0.00 175.35 176.68 2qam h ALA 54 N 7.30 1.53 -0.07 5.17 0.00 -1.88 0.29 119.26 131.60 2qam h ALA 54 Ca -0.35 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 2qam h ALA 54 Cb 1.16 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2qam h ALA 54 CO 0.74 -0.53 -0.56 0.93 0.00 0.00 0.00 179.25 179.84 2qam h GLU 55 N 0.00 0.21 -0.45 0.00 3.07 -1.91 -3.03 114.58 112.46 2qam h GLU 55 Ca 0.00 -0.13 0.13 0.00 -0.50 0.00 0.00 59.36 58.86 2qam h GLU 55 Cb 1.06 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.97 2qam h GLU 55 CO 0.00 0.71 0.45 0.35 -1.40 0.00 0.00 179.01 179.12 2qam h PHE 56 N 0.16 0.00 -0.79 4.33 3.57 -0.61 0.52 116.94 124.12 2qam h PHE 56 Ca -0.00 0.00 -0.55 0.00 3.53 0.00 0.00 57.97 60.95 2qam h PHE 56 Cb 1.03 0.00 -0.34 0.00 2.79 0.00 0.00 35.95 39.43 2qam h PHE 56 CO 0.02 0.00 -0.14 0.66 -2.23 0.00 0.00 178.31 176.62 2qam n TYR 57 N -3.81 2.70 0.00 0.41 4.02 -1.15 -4.61 117.16 114.73 2qam n TYR 57 Ca 0.08 -2.42 0.00 0.00 -0.01 0.00 0.00 57.90 55.56 2qam n TYR 57 Cb 0.64 -0.74 0.00 0.00 -0.02 0.00 0.00 39.34 39.22 2qam n TYR 57 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2qam n SER 58 N -0.84 0.00 -4.91 7.72 7.64 0.04 -5.03 113.62 118.24 2qam n SER 58 Ca 0.49 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 60.10 2qam n SER 58 Cb 0.88 0.03 -0.02 0.00 -1.01 0.00 0.00 64.21 64.08 2qam n SER 58 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2qam s GLU 59 N -1.09 3.59 -1.05 1.43 -6.30 -0.39 -5.00 118.70 109.89 2qam s GLU 59 Ca 0.00 -0.03 -0.23 0.00 -2.50 0.00 0.00 54.97 52.21 2qam s GLU 59 Cb 0.00 -2.60 -0.00 0.00 0.00 0.00 0.00 34.13 31.53 2qam s GLU 59 CO 0.00 0.13 1.75 0.08 0.02 0.00 0.00 175.26 177.24 2qam s VAL 60 N -2.25 3.73 1.04 3.70 1.01 -1.26 -4.71 120.40 121.66 2qam s VAL 60 Ca 0.44 -0.84 -0.18 0.00 0.00 0.00 0.00 61.98 61.40 2qam s VAL 60 Cb -0.10 -4.64 0.02 0.00 0.00 0.00 0.00 36.38 31.66 2qam s VAL 60 CO 0.34 -1.45 -0.18 0.18 0.00 0.00 0.00 175.10 173.99 2qam n LEU 61 N 11.49 -2.17 -3.67 3.92 4.77 -0.10 -4.44 117.00 126.80 2qam n LEU 61 Ca 0.40 0.05 -0.24 0.00 -0.03 0.00 0.00 56.01 56.19 2qam n LEU 61 Cb 0.48 -0.95 -0.17 0.00 -2.33 0.00 0.00 43.42 40.45 2qam n LEU 61 CO 0.66 -3.46 -0.35 0.42 -1.33 0.00 0.00 177.39 173.34 2qam s THR 62 N -2.23 0.07 -0.26 -5.08 -4.23 0.12 0.11 115.64 104.15 2qam s THR 62 Ca 0.52 -0.04 -0.10 0.00 -1.18 0.00 0.00 61.69 60.88 2qam s THR 62 Cb -0.12 -0.54 -0.05 0.00 1.34 0.00 0.00 72.50 73.14 2qam s THR 62 CO 0.68 -0.08 0.16 -0.63 -0.54 0.00 0.00 174.62 174.20 2qam s ILE 63 N 2.08 5.18 -0.26 2.99 1.09 -1.26 0.26 121.20 131.27 2qam s ILE 63 Ca 0.03 0.12 -0.15 0.00 -1.10 0.00 0.00 60.65 59.55 2qam s ILE 63 Cb -0.15 -3.44 -0.04 0.00 -1.06 0.00 0.00 42.46 37.78 2qam s ILE 63 CO -0.07 0.31 0.36 -0.69 -0.10 0.00 0.00 174.94 174.75 2qam s VAL 64 N 1.40 5.20 -0.07 2.92 1.01 0.24 -2.75 120.40 128.34 2qam s VAL 64 Ca 0.07 0.55 -0.03 0.00 0.00 0.00 0.00 61.98 62.57 2qam s VAL 64 Cb -0.15 -3.68 0.04 0.00 0.00 0.00 0.00 36.38 32.59 2qam s VAL 64 CO 0.07 0.19 0.14 0.68 0.00 0.00 0.00 175.10 176.18 2qam s VAL 65 N 1.88 -0.20 -0.38 2.92 -7.23 0.16 -2.39 120.40 115.16 2qam s VAL 65 Ca 0.15 0.34 -0.02 0.00 -1.81 0.00 0.00 61.98 60.63 2qam s VAL 65 Cb -0.15 -0.26 0.00 0.00 0.56 0.00 0.00 36.38 36.53 2qam s VAL 65 CO 0.09 0.14 0.32 -0.67 -0.31 0.00 0.00 175.10 174.68 2qam n ASP 66 N 5.11 -3.21 0.00 4.85 -0.08 -1.26 -3.20 116.55 118.76 2qam n ASP 66 Ca -0.09 -0.15 0.00 0.00 -1.51 0.00 0.00 54.79 53.05 2qam n ASP 66 Cb 0.50 -1.77 0.00 0.00 2.34 0.00 0.00 41.12 42.19 2qam n ASP 66 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2qam n GLY 67 N -0.93 2.56 0.46 0.27 0.00 -1.26 -4.93 105.19 101.37 2qam n GLY 67 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2qam n GLY 67 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2qam n LYS 68 N -0.46 1.03 -3.81 1.61 2.85 -1.19 -5.09 118.16 113.09 2qam n LYS 68 Ca 0.00 -0.38 -0.09 0.00 -1.05 0.00 0.00 58.31 56.79 2qam n LYS 68 Cb 0.00 -0.02 0.02 0.00 -0.65 0.00 0.00 35.03 34.39 2qam n LYS 68 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 2qam s GLU 69 N -2.30 2.25 0.00 -1.58 1.03 -1.26 0.36 118.70 117.19 2qam s GLU 69 Ca 0.07 -1.45 0.00 0.00 0.03 0.00 0.00 54.97 53.61 2qam s GLU 69 Cb -0.01 0.63 0.00 0.00 -0.80 0.00 0.00 34.13 33.95 2qam s GLU 69 CO 0.04 -1.05 0.00 0.44 -1.33 0.00 0.00 175.26 173.36 2qam n ILE 70 N -0.53 0.00 -2.56 1.83 -0.00 -1.11 -4.95 119.36 112.03 2qam n ILE 70 Ca -0.08 0.00 -0.04 0.00 -0.00 0.00 0.00 62.75 62.63 2qam n ILE 70 Cb 0.60 -0.37 -0.03 0.00 -0.00 0.00 0.00 39.64 39.84 2qam n ILE 70 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 2qam n LYS 71 N -1.50 -4.07 -4.15 6.28 5.02 -1.26 -4.85 118.16 113.63 2qam n LYS 71 Ca 0.00 3.13 -0.11 0.00 -2.02 0.00 0.00 58.31 59.31 2qam n LYS 71 Cb 0.23 -4.95 -0.09 0.00 -0.02 0.00 0.00 35.03 30.20 2qam n LYS 71 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2qam s VAL 72 N -0.90 0.02 0.63 -0.18 -7.23 0.31 -4.23 120.40 108.83 2qam s VAL 72 Ca -0.20 -1.87 -0.04 0.00 -1.81 0.00 0.00 61.98 58.06 2qam s VAL 72 Cb 0.01 -2.34 0.04 0.00 0.56 0.00 0.00 36.38 34.65 2qam s VAL 72 CO 0.75 -0.10 0.92 -0.54 -0.31 0.00 0.00 175.10 175.82 2qam s LYS 73 N -4.11 2.43 -0.15 4.82 1.02 -1.14 -0.92 119.74 121.69 2qam s LYS 73 Ca 0.33 -0.39 -0.10 0.00 0.02 0.00 0.00 55.97 55.83 2qam s LYS 73 Cb 0.06 -2.29 -0.05 0.00 -0.52 0.00 0.00 37.83 35.03 2qam s LYS 73 CO 0.09 -0.98 0.19 0.00 -0.92 0.00 0.00 175.35 173.73 2qam s ALA 74 N -3.04 3.74 0.00 5.17 0.00 -1.26 -1.78 121.76 124.59 2qam s ALA 74 Ca 0.58 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.95 2qam s ALA 74 Cb -0.11 -2.15 0.00 0.00 0.00 0.00 0.00 23.12 20.86 2qam s ALA 74 CO 0.43 0.35 0.00 1.04 0.00 0.00 0.00 175.76 177.57 2qam n GLN 75 N 2.81 0.00 -0.84 0.00 1.13 0.15 -4.82 117.38 115.81 2qam n GLN 75 Ca -0.17 0.15 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 2qam n GLN 75 Cb 0.53 -0.55 0.00 0.00 0.11 0.00 0.00 30.24 30.33 2qam n GLN 75 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2qam n ASP 76 N -1.83 1.69 -3.62 1.08 4.64 -1.19 -4.96 116.55 112.36 2qam n ASP 76 Ca 0.00 -0.42 -0.03 0.00 -1.38 0.00 0.00 54.79 52.97 2qam n ASP 76 Cb 0.00 0.00 -0.06 0.00 -1.04 0.00 0.00 41.12 40.02 2qam n ASP 76 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 2qam s VAL 77 N -0.09 -0.07 -0.69 5.18 0.11 -1.26 -2.94 120.40 120.64 2qam s VAL 77 Ca 0.00 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 58.99 2qam s VAL 77 Cb 0.00 -1.00 0.18 0.00 -1.53 0.00 0.00 36.38 34.03 2qam s VAL 77 CO 0.00 0.00 0.54 -1.10 -3.33 0.00 0.00 175.10 171.21 2qam s GLN 78 N 1.53 2.87 0.96 1.54 -0.21 0.21 -4.97 119.66 121.59 2qam s GLN 78 Ca -0.08 -2.56 -0.16 0.00 0.02 0.00 0.00 55.36 52.58 2qam s GLN 78 Cb -0.04 -3.92 0.19 0.00 1.00 0.00 0.00 33.01 30.24 2qam s GLN 78 CO -0.16 -1.21 1.27 -0.98 -2.12 0.00 0.00 175.29 172.09 2qam s ARG 79 N -0.09 0.67 0.32 2.91 1.70 -1.26 -0.09 118.95 123.11 2qam s ARG 79 Ca 0.18 -0.26 -0.24 0.00 -0.47 0.00 0.00 55.73 54.94 2qam s ARG 79 Cb -0.17 -1.83 -0.10 0.00 -0.57 0.00 0.00 34.95 32.28 2qam s ARG 79 CO -0.05 -2.42 0.90 -1.58 -1.08 0.00 0.00 175.30 171.07 2qam s HIS 80 N -3.72 3.63 0.46 5.89 5.65 -0.81 -4.68 115.29 121.72 2qam s HIS 80 Ca 0.71 1.68 0.22 0.00 0.25 0.00 0.00 55.06 57.93 2qam s HIS 80 Cb -0.06 -2.85 1.23 0.00 -1.18 0.00 0.00 32.58 29.71 2qam s HIS 80 CO 0.53 0.19 1.87 -1.35 -0.65 0.00 0.00 174.74 175.33 2qam h PRO 81 N 3.04 0.25 0.00 2.88 0.11 -1.96 -3.33 132.00 132.99 2qam h PRO 81 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2qam h PRO 81 Cb 1.19 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2qam h PRO 81 CO 0.65 0.16 -0.06 2.48 -0.21 0.00 0.00 178.00 181.02 2qam n TYR 82 N -4.43 0.00 -5.01 0.65 0.18 -1.26 -5.11 117.16 102.18 2qam n TYR 82 Ca 0.19 0.00 -0.29 0.00 1.88 0.00 0.00 57.90 59.67 2qam n TYR 82 Cb 0.78 0.20 -0.17 0.00 -0.38 0.00 0.00 39.34 39.77 2qam n TYR 82 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 2qam s LYS 83 N 0.00 2.43 -0.02 -3.48 1.02 -1.25 -5.03 119.74 113.40 2qam s LYS 83 Ca 0.00 -0.72 -0.29 0.00 0.02 0.00 0.00 55.97 54.98 2qam s LYS 83 Cb 0.00 -1.93 -0.35 0.00 -0.52 0.00 0.00 37.83 35.03 2qam s LYS 83 CO 0.00 0.18 1.52 -2.30 -0.92 0.00 0.00 175.35 173.83 2qam n PRO 84 N 3.45 0.00 -3.53 -1.68 -0.02 -1.26 -4.12 135.00 127.84 2qam n PRO 84 Ca -0.20 -0.94 -0.07 0.00 -2.02 0.00 0.00 63.50 60.28 2qam n PRO 84 Cb 0.53 -2.42 0.03 0.00 -0.02 0.00 0.00 33.50 31.61 2qam n PRO 84 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2qam n LYS 85 N 7.67 0.93 -4.48 -0.52 2.85 -1.26 -5.07 118.16 118.27 2qam n LYS 85 Ca 0.43 -1.85 -0.28 0.00 -1.05 0.00 0.00 58.31 55.56 2qam n LYS 85 Cb 0.41 2.35 -0.09 0.00 -0.65 0.00 0.00 35.03 37.04 2qam n LYS 85 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2qam s LEU 86 N 0.00 2.86 0.02 -5.58 1.43 -1.26 -1.92 118.68 114.22 2qam s LEU 86 Ca 0.16 -1.33 0.00 0.00 -1.03 0.00 0.00 54.13 51.93 2qam s LEU 86 Cb -0.04 -1.03 0.00 0.00 0.03 0.00 0.00 46.19 45.15 2qam s LEU 86 CO 0.09 -0.55 0.00 0.00 0.23 0.00 0.00 176.35 176.12 2qam n GLN 87 N -1.11 0.00 -3.65 1.70 6.02 0.87 -4.71 117.38 116.50 2qam n GLN 87 Ca -0.06 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.84 2qam n GLN 87 Cb 0.66 -0.13 -0.10 0.00 1.02 0.00 0.00 30.24 31.69 2qam n GLN 87 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2qam s HIS 88 N -2.00 -0.72 -0.02 1.08 5.04 -1.05 -3.88 115.29 113.73 2qam s HIS 88 Ca 0.00 1.39 0.05 0.00 -1.54 0.00 0.00 55.06 54.97 2qam s HIS 88 Cb 0.00 0.23 -0.03 0.00 0.04 0.00 0.00 32.58 32.82 2qam s HIS 88 CO 0.00 -0.46 -0.18 0.96 -2.34 0.00 0.00 174.74 172.72 2qam s ILE 89 N 2.57 2.75 -0.14 0.89 -5.25 -1.26 0.66 121.20 121.43 2qam s ILE 89 Ca -0.01 -0.92 -0.14 0.00 -0.99 0.00 0.00 60.65 58.59 2qam s ILE 89 Cb -0.12 -2.07 -0.05 0.00 2.95 0.00 0.00 42.46 43.18 2qam s ILE 89 CO -0.12 0.54 0.33 -1.81 -1.79 0.00 0.00 174.94 172.08 2qam s ASP 90 N -0.85 6.51 -0.20 4.36 1.11 -1.15 -3.40 116.67 123.04 2qam s ASP 90 Ca 0.12 0.60 -0.01 0.00 0.18 0.00 0.00 52.55 53.44 2qam s ASP 90 Cb -0.10 -2.20 0.01 0.00 1.07 0.00 0.00 42.92 41.70 2qam s ASP 90 CO 0.01 0.11 -0.13 -0.36 1.18 0.00 0.00 175.17 175.98 2qam s PHE 91 N 0.31 2.89 -0.14 4.23 2.99 -0.49 0.32 117.98 128.08 2qam s PHE 91 Ca 0.19 -1.45 -0.13 0.00 0.00 0.00 0.00 56.93 55.53 2qam s PHE 91 Cb -0.14 -1.99 -0.05 0.00 0.00 0.00 0.00 43.02 40.85 2qam s PHE 91 CO 0.06 -0.73 0.29 0.54 -0.00 0.00 0.00 175.22 175.38 2qam s VAL 92 N 1.34 5.30 0.17 -0.44 0.11 -0.73 -1.88 120.40 124.27 2qam s VAL 92 Ca 0.04 0.54 -0.34 0.00 -2.93 0.00 0.00 61.98 59.30 2qam s VAL 92 Cb -0.14 -3.62 -0.15 0.00 -1.53 0.00 0.00 36.38 30.94 2qam s VAL 92 CO -0.09 0.42 1.35 0.54 -3.33 0.00 0.00 175.10 174.00 2qam n ARG 93 N 3.29 1.58 0.00 1.54 5.12 0.14 -2.86 116.66 125.47 2qam n ARG 93 Ca -0.13 0.57 0.00 0.00 -1.93 0.00 0.00 57.85 56.36 2qam n ARG 93 Cb 0.52 -2.20 0.00 0.00 -1.16 0.00 0.00 32.46 29.63 2qam n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70