#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kco s GLY 2 N 0.00 1.49 -0.61 3.03 0.00 -1.26 -4.96 107.32 105.01 2kco s GLY 2 Ca 0.00 0.73 -0.27 0.00 0.00 0.00 0.00 44.72 45.18 2kco s GLY 2 CO 0.00 2.91 1.64 -1.36 0.00 0.00 0.00 173.10 176.29 2kco s PHE 3 N 4.17 1.93 -0.08 1.90 0.08 -1.26 -4.97 117.98 119.75 2kco s PHE 3 Ca 0.69 0.53 -0.29 0.00 0.12 0.00 0.00 56.93 57.98 2kco s PHE 3 Cb -0.29 -4.27 -0.06 0.00 -0.57 0.00 0.00 43.02 37.83 2kco s PHE 3 CO 0.26 -2.23 1.80 -0.47 -0.10 0.00 0.00 175.22 174.48 2kco s TYR 4 N 7.60 1.70 0.08 0.36 5.04 -1.26 -4.92 117.35 125.96 2kco s TYR 4 Ca 0.58 0.11 -0.19 0.00 -2.44 0.00 0.00 57.07 55.13 2kco s TYR 4 Cb -0.12 -4.03 -0.09 0.00 0.35 0.00 0.00 41.96 38.08 2kco s TYR 4 CO 0.21 -4.20 1.53 0.37 -1.34 0.00 0.00 175.55 172.12 2kco h GLN 5 N 10.73 0.41 0.00 4.97 5.75 -2.06 -3.49 115.11 131.43 2kco h GLN 5 Ca -0.41 -0.12 0.00 0.00 -0.15 0.00 0.00 58.65 57.96 2kco h GLN 5 Cb 1.20 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.71 2kco h GLN 5 CO 0.96 0.57 0.00 0.41 -2.65 0.00 0.00 178.83 178.12 2kco n GLY 6 N -0.36 3.21 3.58 2.39 0.00 -1.26 -5.08 105.19 107.67 2kco n GLY 6 Ca -0.04 -1.31 -0.41 0.00 0.00 0.00 0.00 46.02 44.26 2kco n GLY 6 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kco s PRO 7 N -2.25 3.12 0.12 1.61 0.04 -1.26 -4.97 135.00 131.41 2kco s PRO 7 Ca 0.00 1.05 -0.31 0.00 0.04 0.00 0.00 61.00 61.78 2kco s PRO 7 Cb 0.00 -4.24 -0.09 0.00 0.04 0.00 0.00 34.50 30.21 2kco s PRO 7 CO 0.00 -2.12 1.65 0.16 0.04 0.00 0.00 177.00 176.73 2kco s ASP 8 N 6.44 6.56 0.10 6.66 -4.77 -1.26 -5.00 116.67 125.40 2kco s ASP 8 Ca 0.72 2.59 -0.23 0.00 -3.30 0.00 0.00 52.55 52.33 2kco s ASP 8 Cb -0.17 -2.58 -0.07 0.00 -1.09 0.00 0.00 42.92 39.01 2kco s ASP 8 CO 0.29 -0.89 0.69 0.20 0.70 0.00 0.00 175.17 176.16 2kco s ASN 9 N 1.94 7.21 0.16 2.11 0.01 -1.26 -5.06 114.94 120.06 2kco s ASN 9 Ca 0.74 1.44 -0.27 0.00 -0.71 0.00 0.00 52.86 54.05 2kco s ASN 9 Cb -0.43 -2.43 -0.08 0.00 0.41 0.00 0.00 41.25 38.72 2kco s ASN 9 CO 0.32 0.19 0.85 -0.13 -1.51 0.00 0.00 177.10 176.82 2kco s ARG 10 N -0.86 4.66 0.30 -0.60 3.00 -1.26 -5.05 118.95 119.15 2kco s ARG 10 Ca 0.33 1.28 -0.23 0.00 0.00 0.00 0.00 55.73 57.11 2kco s ARG 10 Cb -0.21 -3.29 -0.09 0.00 0.00 0.00 0.00 34.95 31.35 2kco s ARG 10 CO 0.22 0.47 0.87 0.15 0.00 0.00 0.00 175.30 177.01 2kco s LYS 11 N -0.87 4.42 0.13 3.54 1.02 -1.26 -5.08 119.74 121.64 2kco s LYS 11 Ca 0.39 1.14 -0.10 0.00 0.02 0.00 0.00 55.97 57.42 2kco s LYS 11 Cb -0.24 -2.75 0.00 0.00 -0.52 0.00 0.00 37.83 34.32 2kco s LYS 11 CO 0.28 0.28 0.26 -1.50 -0.92 0.00 0.00 175.35 173.76 2kco s ILE 12 N -1.65 0.10 0.59 2.17 2.07 -1.26 -5.16 121.20 118.06 2kco s ILE 12 Ca 0.49 -1.18 -0.20 0.00 -1.41 0.00 0.00 60.65 58.36 2kco s ILE 12 Cb -0.17 -1.53 -0.04 0.00 0.13 0.00 0.00 42.46 40.86 2kco s ILE 12 CO 0.22 -0.45 1.22 1.07 -1.91 0.00 0.00 174.94 175.09 2kco n THR 13 N -0.15 4.18 0.24 4.00 5.66 -1.26 -4.93 114.28 122.02 2kco n THR 13 Ca -0.12 -0.50 0.09 0.00 -3.05 0.00 0.00 64.05 60.47 2kco n THR 13 Cb 0.63 -1.45 0.62 0.00 -1.55 0.00 0.00 70.33 68.57 2kco n THR 13 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 2kco h GLY 14 N 0.87 0.00 0.00 1.09 0.00 -2.06 -3.48 103.07 99.48 2kco h GLY 14 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2kco h GLY 14 CO 0.54 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.69 2kco n GLY 15 N -0.80 0.65 3.60 4.60 0.00 -1.26 -5.09 105.19 106.90 2kco n GLY 15 Ca -0.02 -0.91 -0.06 0.00 0.00 0.00 0.00 46.02 45.03 2kco n GLY 15 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2kco s LEU 16 N 0.00 -0.28 -0.30 0.99 -0.00 -1.26 -5.17 118.68 112.66 2kco s LEU 16 Ca 0.00 -0.16 -0.07 0.00 -0.00 0.00 0.00 54.13 53.90 2kco s LEU 16 Cb 0.00 2.04 0.16 0.00 -0.00 0.00 0.00 46.19 48.39 2kco s LEU 16 CO 0.00 -0.71 0.70 -0.75 -0.00 0.00 0.00 176.35 175.59 2kco s LYS 17 N -3.15 0.52 -0.02 1.48 2.47 -1.26 -5.17 119.74 114.62 2kco s LYS 17 Ca 0.08 1.14 0.01 0.00 -1.56 0.00 0.00 55.97 55.63 2kco s LYS 17 Cb -0.01 0.67 0.02 0.00 -1.46 0.00 0.00 37.83 37.04 2kco s LYS 17 CO -0.04 -0.34 -0.01 0.20 0.16 0.00 0.00 175.35 175.31 2kco s GLY 18 N 2.84 0.21 0.65 5.54 0.00 -1.26 -5.17 107.32 110.12 2kco s GLY 18 Ca 0.05 0.06 -0.05 0.00 0.00 0.00 0.00 44.72 44.79 2kco s GLY 18 CO -0.19 0.35 0.93 0.54 0.00 0.00 0.00 173.10 174.73 2kco s LYS 19 N 0.63 2.42 0.89 2.90 1.02 -1.26 -5.10 119.74 121.24 2kco s LYS 19 Ca -0.06 -0.33 -0.11 0.00 0.02 0.00 0.00 55.97 55.49 2kco s LYS 19 Cb -0.09 -2.26 0.13 0.00 -0.52 0.00 0.00 37.83 35.08 2kco s LYS 19 CO -0.01 -1.01 1.09 -3.38 -0.92 0.00 0.00 175.35 171.12 2kco s HIS 20 N -3.08 2.26 0.54 3.18 -3.43 -1.26 -5.09 115.29 108.41 2kco s HIS 20 Ca 0.58 1.35 0.08 0.00 -0.80 0.00 0.00 55.06 56.27 2kco s HIS 20 Cb -0.11 -3.15 0.06 0.00 -1.43 0.00 0.00 32.58 27.95 2kco s HIS 20 CO 0.43 -2.40 0.62 1.03 -2.00 0.00 0.00 174.74 172.43 2kco s ARG 21 N -4.88 2.33 0.23 -0.38 1.81 -1.26 -5.16 118.95 111.64 2kco s ARG 21 Ca 0.64 -1.74 0.08 0.00 -1.72 0.00 0.00 55.73 52.99 2kco s ARG 21 Cb -0.19 -2.45 -0.05 0.00 -0.45 0.00 0.00 34.95 31.81 2kco s ARG 21 CO 0.57 -0.70 -0.14 -0.51 -0.68 0.00 0.00 175.30 173.84 2kco s ASP 22 N -4.49 2.77 0.26 0.23 1.01 -1.26 -5.17 116.67 110.02 2kco s ASP 22 Ca 0.51 -1.05 0.00 0.00 0.71 0.00 0.00 52.55 52.73 2kco s ASP 22 Cb -0.05 -0.17 0.00 0.00 1.01 0.00 0.00 42.92 43.72 2kco s ASP 22 CO 0.32 -0.16 0.00 0.29 0.21 0.00 0.00 175.17 175.83 2kco n LYS 23 N -0.45 0.91 -2.35 8.23 4.01 -1.26 -5.12 118.16 122.12 2kco n LYS 23 Ca -0.07 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.44 2kco n LYS 23 Cb 0.61 0.00 -0.00 0.00 -0.51 0.00 0.00 35.03 35.13 2kco n LYS 23 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2kco s ARG 24 N -1.78 3.60 0.52 1.97 0.52 -1.26 -5.09 118.95 117.43 2kco s ARG 24 Ca 0.00 0.46 -0.19 0.00 -0.52 0.00 0.00 55.73 55.48 2kco s ARG 24 Cb 0.00 -2.26 -0.07 0.00 0.52 0.00 0.00 34.95 33.15 2kco s ARG 24 CO 0.00 -0.33 1.06 0.15 0.02 0.00 0.00 175.30 176.19 2kco s LYS 25 N -4.81 3.62 0.62 3.54 -0.14 -1.26 -5.08 119.74 116.23 2kco s LYS 25 Ca 0.51 1.36 -0.03 0.00 -1.36 0.00 0.00 55.97 56.45 2kco s LYS 25 Cb -0.11 -2.07 0.04 0.00 -1.68 0.00 0.00 37.83 34.02 2kco s LYS 25 CO 0.47 -0.58 0.89 0.71 -0.76 0.00 0.00 175.35 176.07 2kco s TYR 26 N -2.07 2.94 0.06 3.18 2.02 -1.26 -5.13 117.35 117.10 2kco s TYR 26 Ca 0.67 0.27 -0.07 0.00 -0.37 0.00 0.00 57.07 57.57 2kco s TYR 26 Cb -0.17 -2.93 -0.01 0.00 -0.40 0.00 0.00 41.96 38.45 2kco s TYR 26 CO 0.25 -1.09 0.14 -1.83 -1.57 0.00 0.00 175.55 171.46 2kco s GLU 27 N -4.99 0.72 0.33 -0.62 -1.05 -1.26 -5.16 118.70 106.67 2kco s GLU 27 Ca 0.58 -0.86 -0.26 0.00 -0.15 0.00 0.00 54.97 54.28 2kco s GLU 27 Cb -0.11 0.29 -0.10 0.00 -0.44 0.00 0.00 34.13 33.78 2kco s GLU 27 CO 0.42 -0.21 0.96 0.42 0.95 0.00 0.00 175.26 177.81 2kco s ILE 28 N -3.27 4.12 0.00 1.83 1.01 -1.26 -5.07 121.20 118.55 2kco s ILE 28 Ca 0.01 1.74 0.00 0.00 0.00 0.00 0.00 60.65 62.40 2kco s ILE 28 Cb 0.02 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.53 2kco s ILE 28 CO -0.08 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.60 2kco n GLY 29 N 0.55 1.94 3.07 6.18 0.00 -1.26 -5.09 105.19 110.58 2kco n GLY 29 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 2kco n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kco s ASN 30 N -1.00 0.97 0.61 1.61 0.01 -1.26 -5.16 114.94 110.72 2kco s ASN 30 Ca 0.00 -0.52 -0.19 0.00 -0.71 0.00 0.00 52.86 51.44 2kco s ASN 30 Cb 0.00 0.01 -0.02 0.00 0.41 0.00 0.00 41.25 41.65 2kco s ASN 30 CO 0.00 -0.16 1.30 -2.84 -1.51 0.00 0.00 177.10 173.88 2kco s PRO 31 N -1.48 2.77 0.00 -0.60 0.02 -1.26 -5.05 135.00 129.40 2kco s PRO 31 Ca -0.08 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.01 2kco s PRO 31 Cb -0.09 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.46 2kco s PRO 31 CO 0.01 -1.43 0.00 -2.30 -0.33 0.00 0.00 177.00 172.95 2kco n PRO 32 N -1.63 -0.22 -1.64 5.54 -0.02 -1.26 -4.94 135.00 130.83 2kco n PRO 32 Ca 0.14 0.00 -0.47 0.00 -2.02 0.00 0.00 63.50 61.15 2kco n PRO 32 Cb 0.48 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.92 2kco n PRO 32 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2kco n THR 33 N -1.71 0.61 -1.19 3.45 -2.24 -1.26 -4.98 114.28 106.96 2kco n THR 33 Ca 0.00 -0.15 -0.29 0.00 -2.27 0.00 0.00 64.05 61.34 2kco n THR 33 Cb 0.00 -1.25 0.19 0.00 -2.10 0.00 0.00 70.33 67.18 2kco n THR 33 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 2kco s PHE 34 N 0.18 1.71 -0.15 4.78 -0.12 -1.26 -5.04 117.98 118.08 2kco s PHE 34 Ca 0.74 0.82 -0.18 0.00 -0.05 0.00 0.00 56.93 58.26 2kco s PHE 34 Cb -0.75 -3.35 -0.04 0.00 -0.63 0.00 0.00 43.02 38.26 2kco s PHE 34 CO 0.47 -3.13 0.49 0.95 -0.05 0.00 0.00 175.22 173.96 2kco s THR 35 N -3.03 5.16 0.59 -4.49 -4.23 -1.26 -5.09 115.64 103.29 2kco s THR 35 Ca 0.67 0.94 -0.11 0.00 -1.18 0.00 0.00 61.69 62.01 2kco s THR 35 Cb -0.16 -3.82 -0.05 0.00 1.34 0.00 0.00 72.50 69.81 2kco s THR 35 CO 0.57 0.27 1.00 0.42 -0.54 0.00 0.00 174.62 176.33 2kco s THR 36 N 1.02 4.70 0.85 3.99 -4.23 -1.26 -5.06 115.64 115.65 2kco s THR 36 Ca 0.25 0.87 -0.10 0.00 -1.18 0.00 0.00 61.69 61.52 2kco s THR 36 Cb -0.15 -3.84 0.10 0.00 1.34 0.00 0.00 72.50 69.95 2kco s THR 36 CO 0.10 -1.04 1.11 -1.48 -0.54 0.00 0.00 174.62 172.77 2kco s LEU 37 N -4.95 2.84 -0.08 4.79 2.34 -1.26 -4.95 118.68 117.40 2kco s LEU 37 Ca 0.55 1.94 0.09 0.00 0.06 0.00 0.00 54.13 56.76 2kco s LEU 37 Cb -0.11 -4.46 0.40 0.00 -0.56 0.00 0.00 46.19 41.45 2kco s LEU 37 CO 0.49 -2.58 1.19 -1.20 -1.06 0.00 0.00 176.35 173.19 2kco n SER 38 N -3.88 2.99 0.23 1.48 7.64 -1.26 -4.31 113.62 116.51 2kco n SER 38 Ca 0.10 -2.32 0.11 0.00 1.01 0.00 0.00 58.87 57.76 2kco n SER 38 Cb 0.53 -0.49 0.47 0.00 -1.01 0.00 0.00 64.21 63.71 2kco n SER 38 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kco h ALA 39 N 3.25 1.01 0.00 -0.43 0.00 -2.00 -2.57 119.26 118.53 2kco h ALA 39 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2kco h ALA 39 Cb 1.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2kco h ALA 39 CO 0.17 0.24 -0.31 0.93 0.00 0.00 0.00 179.25 180.29 2kco h GLU 40 N 0.00 0.00 -0.02 0.00 4.39 -1.99 -1.78 114.58 115.18 2kco h GLU 40 Ca -0.00 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 2kco h GLU 40 Cb 0.73 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.37 2kco h GLU 40 CO 0.03 0.00 -0.65 -0.44 -1.16 0.00 0.00 179.01 176.78 2kco h ASP 41 N 0.00 0.08 0.16 1.42 5.19 -1.77 -2.24 116.42 119.25 2kco h ASP 41 Ca 0.00 -0.05 -0.20 0.00 -0.62 0.00 0.00 57.03 56.16 2kco h ASP 41 Cb 0.86 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.34 2kco h ASP 41 CO 0.00 0.71 -0.77 0.40 -3.12 0.00 0.00 179.24 176.45 2kco h ILE 42 N 0.05 1.35 -0.65 0.35 2.04 -1.36 -2.51 117.51 116.78 2kco h ILE 42 Ca -0.01 -2.13 -0.07 0.00 1.00 0.00 0.00 64.86 63.65 2kco h ILE 42 Cb 1.16 2.12 -0.03 0.00 -0.74 0.00 0.00 36.82 39.33 2kco h ILE 42 CO 0.09 0.65 0.13 -0.09 0.00 0.00 0.00 178.15 178.93 2kco h ARG 43 N 0.34 1.05 0.01 2.37 9.65 -1.25 -1.27 114.38 125.28 2kco h ARG 43 Ca -0.04 -0.26 -0.19 0.00 -1.10 0.00 0.00 59.98 58.39 2kco h ARG 43 Cb 1.37 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 29.79 2kco h ARG 43 CO 0.14 0.95 -0.87 0.97 2.80 0.00 0.00 179.97 183.96 2kco h ILE 44 N 0.99 1.55 -0.56 1.20 6.09 -1.44 -2.24 117.51 123.11 2kco h ILE 44 Ca 0.20 -2.76 -0.02 0.00 -1.37 0.00 0.00 64.86 60.92 2kco h ILE 44 Cb 0.39 2.52 -0.03 0.00 0.47 0.00 0.00 36.82 40.17 2kco h ILE 44 CO 0.01 0.80 0.29 0.50 -3.07 0.00 0.00 178.15 176.67 2kco h LYS 45 N 0.05 0.78 -0.27 2.19 1.63 -1.24 -2.72 116.57 116.99 2kco h LYS 45 Ca -0.03 -0.09 -0.14 0.00 -0.85 0.00 0.00 60.65 59.54 2kco h LYS 45 Cb 1.51 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.98 2kco h LYS 45 CO 0.12 0.59 -0.42 0.22 -3.45 0.00 0.00 179.45 176.52 2kco h ASP 46 N 0.79 0.70 -0.66 4.20 3.58 -0.89 -1.54 116.42 122.59 2kco h ASP 46 Ca 0.20 -0.32 -0.08 0.00 0.42 0.00 0.00 57.03 57.25 2kco h ASP 46 Cb 0.06 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 40.88 2kco h ASP 46 CO -0.03 1.03 0.11 0.08 -2.88 0.00 0.00 179.24 177.55 2kco h ARG 47 N 0.53 1.10 0.00 0.28 0.11 -1.10 -3.10 114.38 112.20 2kco h ARG 47 Ca 0.04 -0.29 -0.04 0.00 0.10 0.00 0.00 59.98 59.79 2kco h ARG 47 Cb 0.94 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 31.88 2kco h ARG 47 CO 0.09 1.00 -0.79 0.00 0.10 0.00 0.00 179.97 180.36 2kco h THR 48 N 1.03 0.20 -3.54 0.08 1.03 -1.52 -3.41 112.91 106.78 2kco h THR 48 Ca 0.20 -1.33 -0.71 0.00 -0.01 0.00 0.00 66.41 64.56 2kco h THR 48 Cb 0.43 1.83 -0.34 0.00 -1.07 0.00 0.00 68.15 69.00 2kco h THR 48 CO 0.01 0.11 -0.36 -0.22 -0.01 0.00 0.00 175.52 175.06 2kco s LEU 49 N -5.77 5.41 0.00 0.00 2.96 -0.58 -5.02 118.68 115.67 2kco s LEU 49 Ca 0.01 -2.63 0.00 0.00 -0.22 0.00 0.00 54.13 51.29 2kco s LEU 49 Cb 0.08 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.88 2kco s LEU 49 CO 0.76 -0.44 0.00 0.61 -1.32 0.00 0.00 176.35 175.96 2kco n GLY 50 N 3.82 0.57 3.32 7.98 0.00 -1.26 -4.65 105.19 114.98 2kco n GLY 50 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 2kco n GLY 50 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kco s GLY 51 N 0.00 -0.41 -0.08 -0.02 0.00 -1.26 -5.15 107.32 100.40 2kco s GLY 51 Ca 0.00 1.63 -0.28 0.00 0.00 0.00 0.00 44.72 46.06 2kco s GLY 51 CO 0.00 2.48 0.94 0.54 0.00 0.00 0.00 173.10 177.07 2kco s ASN 52 N 2.62 7.22 0.52 1.64 4.22 -1.26 -5.05 114.94 124.85 2kco s ASN 52 Ca -0.03 1.48 -0.13 0.00 -2.14 0.00 0.00 52.86 52.05 2kco s ASN 52 Cb -0.12 -2.53 -0.06 0.00 1.28 0.00 0.00 41.25 39.82 2kco s ASN 52 CO -0.14 -0.35 0.95 -0.36 -2.04 0.00 0.00 177.10 175.16 2kco s PHE 53 N 1.61 3.51 -0.23 1.54 0.08 -1.26 -5.05 117.98 118.19 2kco s PHE 53 Ca 0.47 1.29 -0.19 0.00 0.12 0.00 0.00 56.93 58.63 2kco s PHE 53 Cb -0.19 -2.67 -0.03 0.00 -0.57 0.00 0.00 43.02 39.56 2kco s PHE 53 CO 0.20 -0.41 0.54 0.15 -0.10 0.00 0.00 175.22 175.60 2kco s LYS 54 N -4.39 4.13 0.14 0.44 3.01 -1.26 -5.05 119.74 116.76 2kco s LYS 54 Ca 0.56 0.41 -0.30 0.00 -1.01 0.00 0.00 55.97 55.62 2kco s LYS 54 Cb -0.10 -3.61 -0.07 0.00 -1.01 0.00 0.00 37.83 33.03 2kco s LYS 54 CO 0.39 -0.27 1.23 0.08 0.51 0.00 0.00 175.35 177.29 2kco s VAL 55 N 2.04 3.63 -0.26 3.17 1.01 -1.26 -5.03 120.40 123.70 2kco s VAL 55 Ca 0.23 1.28 -0.06 0.00 0.00 0.00 0.00 61.98 63.44 2kco s VAL 55 Cb -0.16 -3.82 -0.00 0.00 0.00 0.00 0.00 36.38 32.40 2kco s VAL 55 CO 0.09 0.16 0.03 0.00 0.00 0.00 0.00 175.10 175.38 2kco s ARG 56 N 0.33 3.30 0.28 2.72 3.03 -1.26 -5.10 118.95 122.26 2kco s ARG 56 Ca 0.56 -0.70 -0.29 0.00 2.03 0.00 0.00 55.73 57.34 2kco s ARG 56 Cb -0.33 -3.22 -0.09 0.00 -1.03 0.00 0.00 34.95 30.28 2kco s ARG 56 CO 0.34 -0.30 1.09 -1.17 -1.13 0.00 0.00 175.30 174.12 2kco s LEU 57 N 1.51 4.54 0.10 -1.89 2.96 -1.26 -5.04 118.68 119.60 2kco s LEU 57 Ca 0.04 2.24 -0.30 0.00 -0.22 0.00 0.00 54.13 55.89 2kco s LEU 57 Cb -0.16 -3.66 -0.06 0.00 0.50 0.00 0.00 46.19 42.82 2kco s LEU 57 CO 0.00 -0.14 1.06 -0.54 -1.32 0.00 0.00 176.35 175.41 2kco s LYS 58 N -1.49 4.58 0.25 1.98 1.02 -1.26 -5.04 119.74 119.79 2kco s LYS 58 Ca 0.45 1.61 -0.29 0.00 0.02 0.00 0.00 55.97 57.75 2kco s LYS 58 Cb -0.31 -3.35 -0.09 0.00 -0.52 0.00 0.00 37.83 33.56 2kco s LYS 58 CO 0.40 0.02 0.95 0.71 -0.92 0.00 0.00 175.35 176.50 2kco s TYR 59 N 0.31 3.93 0.75 3.18 2.02 -1.26 -5.03 117.35 121.25 2kco s TYR 59 Ca 0.51 1.89 -0.12 0.00 -0.37 0.00 0.00 57.07 58.98 2kco s TYR 59 Cb -0.26 -2.98 0.05 0.00 -0.40 0.00 0.00 41.96 38.36 2kco s TYR 59 CO 0.31 0.39 1.11 0.95 -1.57 0.00 0.00 175.55 176.73 2kco s THR 60 N -1.24 3.15 0.51 -0.71 -4.23 -1.26 -4.98 115.64 106.87 2kco s THR 60 Ca 0.42 0.43 -0.21 0.00 -1.18 0.00 0.00 61.69 61.16 2kco s THR 60 Cb -0.25 -2.89 -0.09 0.00 1.34 0.00 0.00 72.50 70.61 2kco s THR 60 CO 0.31 -0.44 0.82 1.07 -0.54 0.00 0.00 174.62 175.84 2kco n THR 61 N -3.21 2.65 -4.15 3.99 5.66 -1.26 -4.96 114.28 113.00 2kco n THR 61 Ca 0.10 -0.50 -0.17 0.00 -3.05 0.00 0.00 64.05 60.43 2kco n THR 61 Cb 0.52 -0.96 -0.12 0.00 -1.55 0.00 0.00 70.33 68.23 2kco n THR 61 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2kco s THR 62 N -1.48 1.00 -0.06 1.09 2.01 -0.98 -3.03 115.64 114.19 2kco s THR 62 Ca 0.68 -1.26 0.04 0.00 0.31 0.00 0.00 61.69 61.46 2kco s THR 62 Cb -0.50 -0.98 -0.02 0.00 0.01 0.00 0.00 72.50 71.02 2kco s THR 62 CO 0.54 -0.26 -0.19 0.00 -0.69 0.00 0.00 174.62 174.02 2kco s ALA 63 N -1.30 2.42 -0.55 7.40 0.00 -0.16 -2.19 121.76 127.38 2kco s ALA 63 Ca -0.04 -1.01 -0.06 0.00 0.00 0.00 0.00 51.96 50.85 2kco s ALA 63 Cb -0.10 -0.85 0.14 0.00 0.00 0.00 0.00 23.12 22.31 2kco s ALA 63 CO 0.02 0.45 0.40 1.21 0.00 0.00 0.00 175.76 177.84 2kco s ASN 64 N -0.33 5.59 0.20 0.00 2.47 -0.21 -1.37 114.94 121.29 2kco s ASN 64 Ca 0.02 -2.35 -0.30 0.00 0.42 0.00 0.00 52.86 50.65 2kco s ASN 64 Cb -0.13 -1.95 -0.08 0.00 -1.45 0.00 0.00 41.25 37.65 2kco s ASN 64 CO 0.02 -0.54 0.97 -0.69 -3.72 0.00 0.00 177.10 173.14 2kco s VAL 65 N 0.69 4.13 -0.01 -5.21 1.01 0.18 -1.05 120.40 120.14 2kco s VAL 65 Ca 0.11 2.01 -0.22 0.00 0.00 0.00 0.00 61.98 63.89 2kco s VAL 65 Cb -0.22 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 31.83 2kco s VAL 65 CO -0.03 0.43 0.63 -0.22 0.00 0.00 0.00 175.10 175.91 2kco s LEU 66 N -0.82 4.40 -0.20 3.92 1.98 -0.16 0.78 118.68 128.58 2kco s LEU 66 Ca 0.43 1.20 -0.25 0.00 -2.89 0.00 0.00 54.13 52.62 2kco s LEU 66 Cb -0.26 -2.99 -0.01 0.00 0.66 0.00 0.00 46.19 43.59 2kco s LEU 66 CO 0.32 0.05 0.85 -1.81 -1.89 0.00 0.00 176.35 173.87 2kco s ASP 67 N 0.03 6.93 0.01 3.68 1.11 0.04 -3.50 116.67 124.97 2kco s ASP 67 Ca 0.33 1.15 0.16 0.00 0.18 0.00 0.00 52.55 54.37 2kco s ASP 67 Cb -0.18 -2.46 0.69 0.00 1.07 0.00 0.00 42.92 42.04 2kco s ASP 67 CO 0.18 -0.46 1.52 -0.81 1.18 0.00 0.00 175.17 176.78 2kco n PRO 68 N 5.56 0.01 -0.00 8.23 -0.04 -1.26 -1.41 135.00 146.09 2kco n PRO 68 Ca 0.05 0.24 -0.00 0.00 -0.04 0.00 0.00 63.50 63.75 2kco n PRO 68 Cb 0.48 -1.52 -0.00 0.00 -0.04 0.00 0.00 33.50 32.42 2kco n PRO 68 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kco h ALA 69 N 2.53 0.00 0.00 0.55 0.00 -1.93 -3.43 119.26 116.98 2kco h ALA 69 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2kco h ALA 69 Cb 0.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2kco h ALA 69 CO 0.00 0.01 -0.57 0.25 0.00 0.00 0.00 179.25 178.95 2kco n THR 70 N -2.29 0.02 -2.80 0.00 -2.24 -1.26 -4.96 114.28 100.75 2kco n THR 70 Ca -0.00 -0.02 -0.19 0.00 -2.27 0.00 0.00 64.05 61.57 2kco n THR 70 Cb 0.01 0.30 0.02 0.00 -2.10 0.00 0.00 70.33 68.56 2kco n THR 70 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2kco n ASN 71 N -1.54 -5.43 -4.68 3.42 4.05 -0.50 -5.01 115.26 105.58 2kco n ASN 71 Ca 0.05 -0.20 -0.23 0.00 0.45 0.00 0.00 54.58 54.65 2kco n ASN 71 Cb 0.34 -4.31 -0.07 0.00 1.23 0.00 0.00 39.78 36.97 2kco n ASN 71 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 2kco s THR 72 N -3.05 3.65 0.46 -0.44 -4.23 -1.26 -4.84 115.64 105.93 2kco s THR 72 Ca 0.21 -1.78 -0.07 0.00 -1.18 0.00 0.00 61.69 58.87 2kco s THR 72 Cb -0.09 -2.94 -0.05 0.00 1.34 0.00 0.00 72.50 70.76 2kco s THR 72 CO 0.26 -0.35 0.79 0.00 -0.54 0.00 0.00 174.62 174.78 2kco s ALA 73 N -2.23 3.37 -0.29 3.99 0.00 -1.26 -0.78 121.76 124.55 2kco s ALA 73 Ca 0.31 -0.38 0.04 0.00 0.00 0.00 0.00 51.96 51.93 2kco s ALA 73 Cb -0.07 -2.65 0.18 0.00 0.00 0.00 0.00 23.12 20.58 2kco s ALA 73 CO 0.21 -0.25 0.50 0.21 0.00 0.00 0.00 175.76 176.43 2kco s LYS 74 N -4.45 0.49 -0.52 0.00 2.20 0.23 -4.93 119.74 112.76 2kco s LYS 74 Ca 0.49 0.33 -0.17 0.00 -0.36 0.00 0.00 55.97 56.26 2kco s LYS 74 Cb -0.10 -0.03 0.08 0.00 -1.51 0.00 0.00 37.83 36.27 2kco s LYS 74 CO 0.41 -1.05 0.54 0.21 -0.36 0.00 0.00 175.35 175.11 2kco s LYS 75 N 2.68 3.04 0.10 4.03 2.20 -1.26 -0.65 119.74 129.87 2kco s LYS 75 Ca 0.10 -1.27 0.07 0.00 -0.36 0.00 0.00 55.97 54.50 2kco s LYS 75 Cb -0.11 -4.18 -0.03 0.00 -1.51 0.00 0.00 37.83 31.99 2kco s LYS 75 CO -0.28 -1.24 -0.17 0.14 -0.36 0.00 0.00 175.35 173.44 2kco s VAL 76 N 2.14 1.43 0.63 4.02 -7.23 -0.47 -4.99 120.40 115.92 2kco s VAL 76 Ca 0.09 -1.53 -0.16 0.00 -1.81 0.00 0.00 61.98 58.57 2kco s VAL 76 Cb -0.24 -1.40 -0.02 0.00 0.56 0.00 0.00 36.38 35.29 2kco s VAL 76 CO 0.07 -0.22 1.13 -0.75 -0.31 0.00 0.00 175.10 175.02 2kco s LYS 77 N -2.08 2.91 -0.06 4.82 2.20 -1.26 -0.99 119.74 125.28 2kco s LYS 77 Ca 0.05 1.50 -0.22 0.00 -0.36 0.00 0.00 55.97 56.94 2kco s LYS 77 Cb -0.09 -1.96 -0.04 0.00 -1.51 0.00 0.00 37.83 34.24 2kco s LYS 77 CO 0.03 -1.18 0.63 0.42 -0.36 0.00 0.00 175.35 174.90 2kco s ILE 78 N -2.13 5.04 0.00 5.43 1.01 -1.17 -2.69 121.20 126.69 2kco s ILE 78 Ca 0.69 1.30 0.00 0.00 0.00 0.00 0.00 60.65 62.64 2kco s ILE 78 Cb -0.22 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.28 2kco s ILE 78 CO 0.37 0.31 0.00 0.18 0.00 0.00 0.00 174.94 175.80 2kco n LEU 79 N 3.49 0.92 -3.51 2.97 4.77 -0.32 -4.98 117.00 120.34 2kco n LEU 79 Ca -0.04 0.11 -0.17 0.00 -0.03 0.00 0.00 56.01 55.88 2kco n LEU 79 Cb 0.51 -0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.34 2kco n LEU 79 CO 0.45 -0.21 0.43 -1.83 -1.33 0.00 0.00 177.39 174.90 2kco s GLU 80 N -0.42 1.08 0.13 3.23 -1.05 -1.20 -4.99 118.70 115.48 2kco s GLU 80 Ca 0.00 0.16 -0.19 0.00 -0.15 0.00 0.00 54.97 54.79 2kco s GLU 80 Cb 0.00 0.51 -0.07 0.00 -0.44 0.00 0.00 34.13 34.12 2kco s GLU 80 CO 0.00 -0.35 0.63 0.96 0.95 0.00 0.00 175.26 177.44 2kco s ILE 81 N -1.50 4.67 -0.16 1.83 -0.00 -1.26 -0.54 121.20 124.23 2kco s ILE 81 Ca -0.10 1.23 -0.13 0.00 -0.00 0.00 0.00 60.65 61.65 2kco s ILE 81 Cb -0.00 -3.89 -0.07 0.00 -0.00 0.00 0.00 42.46 38.50 2kco s ILE 81 CO 0.07 0.42 -0.28 0.18 -0.00 0.00 0.00 174.94 175.33 2kco n LEU 82 N 1.33 1.68 -4.55 0.37 7.99 -0.49 -4.76 117.00 118.56 2kco n LEU 82 Ca -0.07 0.28 -0.39 0.00 -0.01 0.00 0.00 56.01 55.82 2kco n LEU 82 Cb 0.51 -0.66 -0.03 0.00 -0.11 0.00 0.00 43.42 43.13 2kco n LEU 82 CO 0.43 -0.02 1.36 -0.70 -1.51 0.00 0.00 177.39 176.95 2kco s GLU 83 N -2.59 3.01 -0.21 3.23 2.12 -1.25 -4.98 118.70 118.04 2kco s GLU 83 Ca -0.26 -0.09 -0.29 0.00 0.36 0.00 0.00 54.97 54.68 2kco s GLU 83 Cb 0.07 -4.48 -0.03 0.00 0.26 0.00 0.00 34.13 29.96 2kco s GLU 83 CO 0.36 -2.45 1.58 0.95 -0.54 0.00 0.00 175.26 175.16 2kco s THR 84 N 7.08 3.74 0.87 -1.70 -4.23 -1.26 -4.13 115.64 116.00 2kco s THR 84 Ca 0.50 0.85 -0.12 0.00 -1.18 0.00 0.00 61.69 61.73 2kco s THR 84 Cb -0.08 -3.73 0.11 0.00 1.34 0.00 0.00 72.50 70.14 2kco s THR 84 CO 0.12 -0.28 1.13 -2.16 -0.54 0.00 0.00 174.62 172.89 2kco s PRO 85 N 4.53 1.52 0.52 3.99 0.04 -1.26 -4.92 135.00 139.42 2kco s PRO 85 Ca 0.70 0.38 0.19 0.00 0.04 0.00 0.00 61.00 62.30 2kco s PRO 85 Cb -0.25 -1.88 1.32 0.00 0.04 0.00 0.00 34.50 33.73 2kco s PRO 85 CO 0.28 -1.96 2.11 0.00 0.04 0.00 0.00 177.00 177.48 2kco h ALA 86 N -1.32 2.12 -0.87 8.56 0.00 -2.02 -1.53 119.26 124.18 2kco h ALA 86 Ca -0.49 -0.00 -0.71 0.00 0.00 0.00 0.00 54.91 53.71 2kco h ALA 86 Cb 1.31 0.01 -0.22 0.00 0.00 0.00 0.00 17.79 18.90 2kco h ALA 86 CO 0.62 -0.17 1.19 0.27 0.00 0.00 0.00 179.25 181.16 2kco n ASN 87 N -4.48 7.35 -0.18 0.00 6.94 -1.26 -4.77 115.26 118.86 2kco n ASN 87 Ca 0.00 -3.49 -0.01 0.00 -0.02 0.00 0.00 54.58 51.06 2kco n ASN 87 Cb 0.22 -1.20 0.09 0.00 -2.36 0.00 0.00 39.78 36.53 2kco n ASN 87 CO 0.00 0.00 0.00 0.07 -1.03 0.00 0.00 177.26 176.30 2kco h LYS 88 N 3.67 0.36 0.00 -3.83 -0.00 -1.63 -2.40 116.57 112.74 2kco h LYS 88 Ca 0.55 -0.02 -0.08 0.00 -0.00 0.00 0.00 60.65 61.10 2kco h LYS 88 Cb 0.33 -0.08 -0.01 0.00 -0.00 0.00 0.00 32.23 32.47 2kco h LYS 88 CO 1.24 0.24 -0.38 1.05 -0.00 0.00 0.00 179.45 181.61 2kco h GLU 89 N 0.37 0.00 -0.02 0.07 9.09 -1.87 -1.08 114.58 121.13 2kco h GLU 89 Ca 0.28 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.65 2kco h GLU 89 Cb 0.33 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.43 2kco h GLU 89 CO -0.29 0.38 -0.15 -0.07 0.05 0.00 0.00 179.01 178.93 2kco h LEU 90 N 0.00 0.16 -2.39 3.06 3.38 -1.78 -3.24 115.31 114.50 2kco h LEU 90 Ca -0.00 -0.70 0.03 0.00 0.09 0.00 0.00 57.88 57.29 2kco h LEU 90 Cb 0.67 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 2kco h LEU 90 CO 0.05 0.84 0.13 0.00 0.09 0.00 0.00 178.44 179.55 2kco h ALA 91 N 0.33 1.56 -0.33 1.53 0.00 -0.61 0.37 119.26 122.11 2kco h ALA 91 Ca -0.01 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 2kco h ALA 91 Cb 0.84 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2kco h ALA 91 CO 0.03 -0.18 -0.43 0.00 0.00 0.00 0.00 179.25 178.67 2kco h ARG 92 N 0.00 0.84 0.00 0.00 3.08 -1.26 -2.48 114.38 114.56 2kco h ARG 92 Ca 0.04 -0.46 0.00 0.00 0.07 0.00 0.00 59.98 59.63 2kco h ARG 92 Cb 0.31 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2kco h ARG 92 CO -0.00 1.10 0.00 0.00 -1.07 0.00 0.00 179.97 180.00 2kco h ARG 93 N 0.68 0.00 0.00 0.04 3.08 -1.18 -3.47 114.38 113.53 2kco h ARG 93 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2kco h ARG 93 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.06 2kco h ARG 93 CO 0.10 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.41 2kco n GLY 94 N -0.02 0.79 3.51 0.04 0.00 -0.50 -4.62 105.19 104.40 2kco n GLY 94 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2kco n GLY 94 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kco s ILE 95 N -2.00 4.31 -0.06 -0.61 -1.09 -0.03 -4.88 121.20 116.85 2kco s ILE 95 Ca 0.00 -1.26 -0.04 0.00 -2.23 0.00 0.00 60.65 57.11 2kco s ILE 95 Cb 0.00 -4.95 -0.04 0.00 -1.58 0.00 0.00 42.46 35.89 2kco s ILE 95 CO 0.00 -1.76 0.15 -0.63 -1.23 0.00 0.00 174.94 171.47 2kco s ILE 96 N 3.83 5.34 0.04 2.92 1.01 -1.26 -1.66 121.20 131.42 2kco s ILE 96 Ca 0.41 -0.04 -0.13 0.00 0.00 0.00 0.00 60.65 60.89 2kco s ILE 96 Cb -0.02 -3.41 -0.06 0.00 0.01 0.00 0.00 42.46 38.99 2kco s ILE 96 CO -0.08 0.46 0.42 -0.51 0.00 0.00 0.00 174.94 175.23 2kco s ILE 97 N -1.17 5.03 0.14 2.92 2.07 -1.26 -4.06 121.20 124.87 2kco s ILE 97 Ca 0.21 0.72 -0.33 0.00 -1.41 0.00 0.00 60.65 59.84 2kco s ILE 97 Cb -0.12 -3.69 -0.12 0.00 0.13 0.00 0.00 42.46 38.65 2kco s ILE 97 CO 0.11 0.45 1.72 -1.14 -1.91 0.00 0.00 174.94 174.18 2kco n ARG 98 N 1.43 2.50 0.00 3.50 0.00 -1.26 -2.17 116.66 120.65 2kco n ARG 98 Ca -0.11 0.90 0.00 0.00 -0.00 0.00 0.00 57.85 58.64 2kco n ARG 98 Cb 0.52 -2.74 0.00 0.00 0.00 0.00 0.00 32.46 30.25 2kco n ARG 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2kco n GLY 99 N 3.89 1.74 3.79 5.14 0.00 -0.63 -5.05 105.19 114.07 2kco n GLY 99 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 2kco n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kco s ALA 100 N -2.26 3.50 0.14 4.61 0.00 -0.92 -4.85 121.76 121.98 2kco s ALA 100 Ca 0.00 0.24 -0.27 0.00 0.00 0.00 0.00 51.96 51.93 2kco s ALA 100 Cb 0.00 -2.84 -0.07 0.00 0.00 0.00 0.00 23.12 20.21 2kco s ALA 100 CO 0.00 0.33 0.86 0.15 0.00 0.00 0.00 175.76 177.10 2kco s LYS 101 N -1.14 4.65 0.07 0.00 3.01 -1.26 -2.50 119.74 122.57 2kco s LYS 101 Ca 0.33 1.29 0.03 0.00 -1.01 0.00 0.00 55.97 56.61 2kco s LYS 101 Cb -0.22 -3.32 -0.03 0.00 -1.01 0.00 0.00 37.83 33.25 2kco s LYS 101 CO 0.24 0.41 -0.09 -1.50 0.51 0.00 0.00 175.35 174.91 2kco s ILE 102 N -0.64 0.78 -0.14 2.17 2.07 -0.26 -1.40 121.20 123.78 2kco s ILE 102 Ca 0.40 -1.42 -0.02 0.00 -1.41 0.00 0.00 60.65 58.21 2kco s ILE 102 Cb -0.23 -1.07 -0.02 0.00 0.13 0.00 0.00 42.46 41.26 2kco s ILE 102 CO 0.28 -0.49 -0.08 -0.13 -1.91 0.00 0.00 174.94 172.61 2kco s ARG 103 N -2.32 3.50 0.46 3.50 0.52 0.30 -0.97 118.95 123.95 2kco s ARG 103 Ca -0.01 -0.59 0.07 0.00 -0.52 0.00 0.00 55.73 54.68 2kco s ARG 103 Cb -0.06 -2.78 -0.01 0.00 0.52 0.00 0.00 34.95 32.63 2kco s ARG 103 CO -0.00 0.26 0.32 0.95 0.02 0.00 0.00 175.30 176.84 2kco s THR 104 N 0.28 2.16 0.58 0.02 -4.23 -0.45 -1.17 115.64 112.83 2kco s THR 104 Ca -0.06 -1.52 0.28 0.00 -1.18 0.00 0.00 61.69 59.20 2kco s THR 104 Cb -0.15 -2.68 0.35 0.00 1.34 0.00 0.00 72.50 71.36 2kco s THR 104 CO 0.04 0.00 2.18 -0.33 -0.54 0.00 0.00 174.62 175.97 2kco h GLU 105 N 1.06 0.00 0.06 3.99 5.08 -1.82 -3.18 114.58 119.77 2kco h GLU 105 Ca -0.40 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.95 2kco h GLU 105 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2kco h GLU 105 CO 0.62 0.00 -0.03 0.00 -1.00 0.00 0.00 179.01 178.60 2kco h ALA 106 N 1.91 -0.13 -2.56 3.43 0.00 -1.95 -3.51 119.26 116.45 2kco h ALA 106 Ca 0.04 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2kco h ALA 106 Cb 0.20 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2kco h ALA 106 CO -0.00 -0.12 0.29 0.41 0.00 0.00 0.00 179.25 179.83 2kco n GLY 107 N 1.54 1.07 3.72 0.00 0.00 -1.20 -5.13 105.19 105.19 2kco n GLY 107 Ca -0.01 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 2kco n GLY 107 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kco s LEU 108 N 0.00 4.37 0.19 0.99 2.96 -1.26 -1.33 118.68 124.59 2kco s LEU 108 Ca 0.14 2.59 0.01 0.00 -0.22 0.00 0.00 54.13 56.65 2kco s LEU 108 Cb -0.03 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 43.02 2kco s LEU 108 CO 0.07 -0.79 0.03 0.00 -1.32 0.00 0.00 176.35 174.33 2kco s ALA 109 N 1.02 1.40 -0.09 5.97 0.00 -0.14 -0.69 121.76 129.23 2kco s ALA 109 Ca 0.68 -1.65 0.03 0.00 0.00 0.00 0.00 51.96 51.03 2kco s ALA 109 Cb -0.43 0.69 -0.01 0.00 0.00 0.00 0.00 23.12 23.37 2kco s ALA 109 CO 0.32 -0.37 -0.18 0.54 0.00 0.00 0.00 175.76 176.07 2kco s VAL 110 N -3.71 2.62 -0.39 0.00 0.11 -0.36 -1.11 120.40 117.57 2kco s VAL 110 Ca 0.27 -0.84 -0.28 0.00 -2.93 0.00 0.00 61.98 58.20 2kco s VAL 110 Cb 0.07 -2.03 -0.02 0.00 -1.53 0.00 0.00 36.38 32.86 2kco s VAL 110 CO 0.06 0.56 1.77 0.68 -3.33 0.00 0.00 175.10 174.84 2kco s VAL 111 N -0.02 3.50 -2.42 2.04 -7.23 -1.04 -1.17 120.40 114.06 2kco s VAL 111 Ca -0.05 0.48 0.27 0.00 -1.81 0.00 0.00 61.98 60.86 2kco s VAL 111 Cb -0.15 -3.76 0.43 0.00 0.56 0.00 0.00 36.38 33.47 2kco s VAL 111 CO 0.05 -0.54 1.63 0.35 -0.31 0.00 0.00 175.10 176.27 2kco n THR 112 N 7.34 0.00 -4.24 5.32 -2.24 0.04 -1.60 114.28 118.91 2kco n THR 112 Ca 0.22 -0.26 -0.16 0.00 -2.27 0.00 0.00 64.05 61.58 2kco n THR 112 Cb 0.48 0.64 -0.09 0.00 -2.10 0.00 0.00 70.33 69.26 2kco n THR 112 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2kco s SER 113 N -2.11 0.88 0.56 3.42 0.15 -1.01 -4.98 113.70 110.62 2kco s SER 113 Ca 0.34 -1.56 -0.13 0.00 0.70 0.00 0.00 55.95 55.29 2kco s SER 113 Cb 0.20 0.47 -0.06 0.00 -1.71 0.00 0.00 66.02 64.92 2kco s SER 113 CO 0.37 -0.95 0.99 0.00 1.20 0.00 0.00 173.24 174.85 2kco s ARG 114 N -3.81 3.76 -0.11 5.44 1.04 -1.26 -4.29 118.95 119.72 2kco s ARG 114 Ca 0.40 0.80 -0.29 0.00 -1.04 0.00 0.00 55.73 55.59 2kco s ARG 114 Cb 0.05 -2.13 -0.04 0.00 -2.04 0.00 0.00 34.95 30.78 2kco s ARG 114 CO 0.20 -0.40 1.54 -1.25 -0.04 0.00 0.00 175.30 175.35 2kco s PRO 115 N -4.61 4.14 0.98 3.89 0.04 -1.26 -4.48 135.00 133.70 2kco s PRO 115 Ca 0.56 1.97 -0.14 0.00 0.04 0.00 0.00 61.00 63.43 2kco s PRO 115 Cb -0.10 -3.93 0.18 0.00 0.04 0.00 0.00 34.50 30.68 2kco s PRO 115 CO 0.43 -0.88 1.16 0.20 0.04 0.00 0.00 177.00 177.95 2kco s GLY 116 N 3.11 1.61 0.41 0.56 0.00 -0.77 -4.95 107.32 107.30 2kco s GLY 116 Ca 0.68 -0.72 0.28 0.00 0.00 0.00 0.00 44.72 44.97 2kco s GLY 116 CO 0.25 -0.06 1.83 1.46 0.00 0.00 0.00 173.10 176.58 2kco h GLN 117 N -1.74 0.00 0.00 2.90 1.08 -1.96 -2.12 115.11 113.28 2kco h GLN 117 Ca -0.49 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.71 2kco h GLN 117 Cb 1.31 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.74 2kco h GLN 117 CO 0.52 0.00 -0.03 -0.44 -0.95 0.00 0.00 178.83 177.93 2kco h ASP 118 N 0.00 0.00 0.00 1.46 5.19 -2.03 -3.46 116.42 117.58 2kco h ASP 118 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2kco h ASP 118 Cb 0.57 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.08 2kco h ASP 118 CO 0.00 0.03 0.00 0.61 -3.12 0.00 0.00 179.24 176.76 2kco n GLY 119 N 0.20 0.61 3.46 2.75 0.00 -0.79 -4.94 105.19 106.46 2kco n GLY 119 Ca 0.01 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 2kco n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kco s VAL 120 N -2.00 3.48 -0.15 1.61 1.01 -1.25 -2.32 120.40 120.77 2kco s VAL 120 Ca 0.00 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.48 2kco s VAL 120 Cb 0.00 -2.48 0.01 0.00 0.00 0.00 0.00 36.38 33.92 2kco s VAL 120 CO 0.00 0.53 -0.20 -0.63 0.00 0.00 0.00 175.10 174.80 2kco s ILE 121 N 0.13 1.96 0.17 2.22 1.09 -0.93 -1.84 121.20 124.00 2kco s ILE 121 Ca -0.04 -0.90 -0.31 0.00 -1.10 0.00 0.00 60.65 58.30 2kco s ILE 121 Cb -0.14 -1.76 -0.09 0.00 -1.06 0.00 0.00 42.46 39.41 2kco s ILE 121 CO 0.04 0.53 1.37 0.20 -0.10 0.00 0.00 174.94 176.98 2kco s ASN 122 N 1.05 6.82 0.27 3.58 0.02 -1.26 -1.04 114.94 124.39 2kco s ASN 122 Ca -0.02 2.41 0.03 0.00 -1.02 0.00 0.00 52.86 54.27 2kco s ASN 122 Cb -0.14 -2.60 -0.06 0.00 0.02 0.00 0.00 41.25 38.47 2kco s ASN 122 CO -0.06 -0.62 0.04 0.00 0.02 0.00 0.00 177.10 176.48 2kco s ALA 123 N 0.57 1.98 -0.06 0.60 0.00 -0.22 -0.78 121.76 123.86 2kco s ALA 123 Ca 0.61 -1.90 0.03 0.00 0.00 0.00 0.00 51.96 50.70 2kco s ALA 123 Cb -0.38 0.69 0.01 0.00 0.00 0.00 0.00 23.12 23.44 2kco s ALA 123 CO 0.35 -0.32 -0.14 0.08 0.00 0.00 0.00 175.76 175.73 2kco s VAL 124 N -3.46 1.23 0.09 0.00 1.01 -0.32 -0.98 120.40 117.98 2kco s VAL 124 Ca 0.34 -0.57 -0.31 0.00 0.00 0.00 0.00 61.98 61.44 2kco s VAL 124 Cb 0.07 -1.10 -0.09 0.00 0.00 0.00 0.00 36.38 35.26 2kco s VAL 124 CO 0.12 0.37 1.77 -0.76 0.00 0.00 0.00 175.10 176.60 2kco s LEU 125 N 0.39 4.39 -0.01 3.92 1.43 -1.23 -1.22 118.68 126.35 2kco s LEU 125 Ca -0.10 2.64 0.03 0.00 -1.03 0.00 0.00 54.13 55.67 2kco s LEU 125 Cb -0.14 -3.56 0.11 0.00 0.03 0.00 0.00 46.19 42.63 2kco s LEU 125 CO 0.03 -0.96 0.94 0.18 0.23 0.00 0.00 176.35 176.77 2kco n LEU 126 N 5.78 0.98 -4.57 1.79 4.77 0.13 -4.70 117.00 121.19 2kco n LEU 126 Ca 0.17 -0.49 -0.23 0.00 -0.03 0.00 0.00 56.01 55.43 2kco n LEU 126 Cb 0.39 -0.23 -0.07 0.00 -2.33 0.00 0.00 43.42 41.18 2kco n LEU 126 CO 0.65 0.20 1.33 -0.54 -1.33 0.00 0.00 177.39 177.70 2kco s LYS 127 N -1.65 2.16 0.03 3.23 1.02 -1.25 -4.86 119.74 118.43 2kco s LYS 127 Ca 0.08 -0.43 -0.22 0.00 0.02 0.00 0.00 55.97 55.41 2kco s LYS 127 Cb 0.05 -5.06 0.05 0.00 -0.52 0.00 0.00 37.83 32.35 2kco s LYS 127 CO 0.04 -4.06 0.50 0.54 -0.92 0.00 0.00 175.35 171.45 2kco s ASN 128 N 8.15 -0.42 -0.56 2.83 2.20 -1.26 -4.98 114.94 120.91 2kco s ASN 128 Ca 0.75 0.20 -0.28 0.00 -0.94 0.00 0.00 52.86 52.60 2kco s ASN 128 Cb -0.06 0.47 0.01 0.00 -2.00 0.00 0.00 41.25 39.68 2kco s ASN 128 CO 0.08 -0.67 1.41 -1.83 -2.94 0.00 0.00 177.10 173.15 2kco s GLU 129 N -2.20 3.31 0.47 3.55 -1.05 -1.26 -4.88 118.70 116.63 2kco s GLU 129 Ca -0.07 0.47 0.14 0.00 -0.15 0.00 0.00 54.97 55.37 2kco s GLU 129 Cb -0.01 -4.12 1.07 0.00 -0.44 0.00 0.00 34.13 30.63 2kco s GLU 129 CO 0.00 -1.92 2.04 1.03 0.95 0.00 0.00 175.26 177.36 2kco h SER 130 N 11.05 0.03 -3.61 0.83 0.87 -2.00 -3.38 113.55 117.35 2kco h SER 130 Ca -0.27 -0.00 -0.70 0.00 -1.23 0.00 0.00 61.79 59.59 2kco h SER 130 Cb 1.09 -0.01 -0.21 0.00 -0.44 0.00 0.00 62.40 62.83 2kco h SER 130 CO 1.17 0.14 -0.48 0.00 -0.53 0.00 0.00 176.83 177.13 2kco s GLN 131 N -4.82 3.16 -0.30 2.24 -2.07 -1.26 -5.01 119.66 111.60 2kco s GLN 131 Ca -0.05 -0.87 -0.01 0.00 -1.82 0.00 0.00 55.36 52.61 2kco s GLN 131 Cb 0.16 -3.80 0.19 0.00 -1.09 0.00 0.00 33.01 28.47 2kco s GLN 131 CO 0.69 -0.59 0.79 0.50 -1.32 0.00 0.00 175.29 175.37 2kco s ARG 132 N 1.65 0.39 0.00 9.60 6.06 -1.26 -5.23 118.95 130.16 2kco s ARG 132 Ca 0.05 0.32 0.00 0.00 -2.50 0.00 0.00 55.73 53.60 2kco s ARG 132 Cb -0.18 0.16 0.00 0.00 0.06 0.00 0.00 34.95 34.99 2kco s ARG 132 CO 0.09 -0.71 0.00 0.43 -2.50 0.00 0.00 175.30 172.61