#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kco n GLY 2 N 0.00 4.61 3.21 3.03 0.00 -1.26 -4.90 105.19 109.88 2kco n GLY 2 Ca 0.00 -1.76 -0.28 0.00 0.00 0.00 0.00 46.02 43.98 2kco n GLY 2 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kco s PHE 3 N 1.36 1.97 -0.00 1.61 0.08 -1.26 -5.14 117.98 116.59 2kco s PHE 3 Ca 0.55 -0.47 -0.28 0.00 0.12 0.00 0.00 56.93 56.84 2kco s PHE 3 Cb 0.15 -1.28 0.09 0.00 -0.57 0.00 0.00 43.02 41.40 2kco s PHE 3 CO -0.06 -0.11 0.75 1.52 -0.10 0.00 0.00 175.22 177.22 2kco s TYR 4 N -0.29 -0.52 0.01 0.36 1.13 -1.26 -5.19 117.35 111.59 2kco s TYR 4 Ca 0.03 0.66 -0.25 0.00 -1.41 0.00 0.00 57.07 56.10 2kco s TYR 4 Cb -0.10 0.48 0.06 0.00 -1.10 0.00 0.00 41.96 41.30 2kco s TYR 4 CO 0.01 -0.62 0.57 -1.14 -2.51 0.00 0.00 175.55 171.86 2kco s GLN 5 N -2.23 1.03 0.00 -3.49 0.74 -1.26 -5.19 119.66 109.26 2kco s GLN 5 Ca -0.03 -0.06 0.00 0.00 0.05 0.00 0.00 55.36 55.32 2kco s GLN 5 Cb -0.01 0.48 0.00 0.00 1.10 0.00 0.00 33.01 34.58 2kco s GLN 5 CO -0.01 -0.35 0.00 0.41 -0.55 0.00 0.00 175.29 174.78 2kco n GLY 6 N 0.62 0.97 3.79 2.59 0.00 -1.26 -5.16 105.19 106.74 2kco n GLY 6 Ca -0.19 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.59 4.12 0.63 1.61 0.04 -1.26 -5.09 135.00 133.45 2kco s PRO 7 Ca 0.00 1.38 0.04 0.00 0.04 0.00 0.00 61.00 62.45 2kco s PRO 7 Cb 0.00 -2.38 0.12 0.00 0.04 0.00 0.00 34.50 32.28 2kco s PRO 7 CO 0.00 -0.16 0.87 -0.40 0.04 0.00 0.00 177.00 177.35 2kco n ASP 8 N -0.36 1.57 -4.57 6.66 5.75 -1.26 -5.02 116.55 119.32 2kco n ASP 8 Ca 0.06 -2.23 -0.40 0.00 -0.01 0.00 0.00 54.79 52.22 2kco n ASP 8 Cb 0.51 -0.53 -0.03 0.00 -1.03 0.00 0.00 41.12 40.05 2kco n ASP 8 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2kco s ASN 9 N -4.66 5.29 0.03 -1.12 2.47 -1.26 -4.94 114.94 110.75 2kco s ASN 9 Ca 0.60 0.97 -0.30 0.00 0.42 0.00 0.00 52.86 54.55 2kco s ASN 9 Cb -0.04 -2.52 -0.07 0.00 -1.45 0.00 0.00 41.25 37.17 2kco s ASN 9 CO 0.39 -2.24 1.55 0.00 -3.72 0.00 0.00 177.10 173.08 2kco s ARG 10 N 6.82 4.23 -0.61 0.43 1.70 -1.26 -4.95 118.95 125.31 2kco s ARG 10 Ca 0.81 2.17 -0.26 0.00 -0.47 0.00 0.00 55.73 57.98 2kco s ARG 10 Cb -0.19 -3.63 0.04 0.00 -0.57 0.00 0.00 34.95 30.60 2kco s ARG 10 CO 0.27 -0.68 1.10 -1.59 -1.08 0.00 0.00 175.30 173.32 2kco s LYS 11 N 2.69 3.34 -0.33 3.89 -2.85 -1.26 -5.01 119.74 120.21 2kco s LYS 11 Ca 0.70 -0.15 -0.15 0.00 -1.00 0.00 0.00 55.97 55.36 2kco s LYS 11 Cb -0.36 -4.09 -0.02 0.00 -2.06 0.00 0.00 37.83 31.31 2kco s LYS 11 CO 0.30 -1.72 0.38 0.42 0.10 0.00 0.00 175.35 174.83 2kco s ILE 12 N 4.66 5.15 0.39 3.79 -1.09 -1.26 -5.09 121.20 127.74 2kco s ILE 12 Ca 0.35 0.22 0.05 0.00 -2.23 0.00 0.00 60.65 59.03 2kco s ILE 12 Cb -0.10 -3.81 -0.00 0.00 -1.58 0.00 0.00 42.46 36.96 2kco s ILE 12 CO 0.19 -0.05 0.56 0.42 -1.23 0.00 0.00 174.94 174.83 2kco s THR 13 N 2.08 3.82 0.03 2.92 -4.23 -1.26 -5.07 115.64 113.93 2kco s THR 13 Ca 0.13 -0.85 -0.18 0.00 -1.18 0.00 0.00 61.69 59.62 2kco s THR 13 Cb -0.16 -3.35 -0.10 0.00 1.34 0.00 0.00 72.50 70.23 2kco s THR 13 CO 0.12 -0.17 1.24 1.23 -0.54 0.00 0.00 174.62 176.49 2kco h GLY 14 N 0.67 -0.67 0.00 3.99 0.00 -2.01 -3.50 103.07 101.56 2kco h GLY 14 Ca -0.45 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.13 2kco h GLY 14 CO 0.53 -0.24 0.00 0.61 0.00 0.00 0.00 176.54 177.44 2kco n GLY 15 N -1.24 0.68 0.09 4.60 0.00 -1.26 -4.87 105.19 103.18 2kco n GLY 15 Ca -0.08 -2.10 0.01 0.00 0.00 0.00 0.00 46.02 43.85 2kco n GLY 15 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kco n LEU 16 N 0.00 0.63 -4.58 0.99 4.77 -1.26 -4.88 117.00 112.66 2kco n LEU 16 Ca 0.00 0.27 -0.41 0.00 -0.03 0.00 0.00 56.01 55.84 2kco n LEU 16 Cb 0.00 0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 2kco n LEU 16 CO 0.00 0.13 1.52 -0.75 -1.33 0.00 0.00 177.39 176.96 2kco s LYS 17 N -3.00 3.13 0.00 3.23 2.20 -1.26 -4.96 119.74 119.08 2kco s LYS 17 Ca -0.04 1.10 0.00 0.00 -0.36 0.00 0.00 55.97 56.67 2kco s LYS 17 Cb 0.09 -4.24 0.00 0.00 -1.51 0.00 0.00 37.83 32.17 2kco s LYS 17 CO 0.82 -2.11 0.00 0.41 -0.36 0.00 0.00 175.35 174.12 2kco n GLY 18 N 5.47 2.82 2.65 5.54 0.00 -1.26 -5.13 105.19 115.28 2kco n GLY 18 Ca 0.21 -1.87 -0.22 0.00 0.00 0.00 0.00 46.02 44.15 2kco n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kco s LYS 19 N 3.49 0.47 0.02 1.61 2.47 -1.26 -5.13 119.74 121.41 2kco s LYS 19 Ca 0.00 -0.76 -0.30 0.00 -1.56 0.00 0.00 55.97 53.35 2kco s LYS 19 Cb 0.00 -0.92 -0.06 0.00 -1.46 0.00 0.00 37.83 35.39 2kco s LYS 19 CO 0.00 -1.13 1.39 -3.38 0.16 0.00 0.00 175.35 172.38 2kco s HIS 20 N 1.66 2.94 0.03 4.03 -3.43 -1.26 -5.02 115.29 114.23 2kco s HIS 20 Ca 0.14 0.86 -0.01 0.00 -0.80 0.00 0.00 55.06 55.25 2kco s HIS 20 Cb -0.17 -3.65 -0.04 0.00 -1.43 0.00 0.00 32.58 27.29 2kco s HIS 20 CO -0.14 -2.38 0.19 1.03 -2.00 0.00 0.00 174.74 171.44 2kco s ARG 21 N 2.14 3.41 0.57 -0.38 0.52 -1.26 -5.12 118.95 118.83 2kco s ARG 21 Ca 0.64 -0.39 -0.05 0.00 -0.52 0.00 0.00 55.73 55.41 2kco s ARG 21 Cb -0.32 -3.05 0.01 0.00 0.52 0.00 0.00 34.95 32.11 2kco s ARG 21 CO 0.27 0.64 0.87 -0.51 0.02 0.00 0.00 175.30 176.59 2kco s ASP 22 N -2.21 5.59 0.43 0.23 1.11 -1.26 -5.13 116.67 115.43 2kco s ASP 22 Ca 0.31 0.63 0.04 0.00 0.18 0.00 0.00 52.55 53.71 2kco s ASP 22 Cb -0.13 -1.64 -0.02 0.00 1.07 0.00 0.00 42.92 42.20 2kco s ASP 22 CO 0.23 -1.04 0.14 -1.59 1.18 0.00 0.00 175.17 174.10 2kco s LYS 23 N -4.94 2.00 -0.06 8.23 0.00 -1.26 -5.18 119.74 118.54 2kco s LYS 23 Ca 0.53 -2.24 -0.03 0.00 0.00 0.00 0.00 55.97 54.24 2kco s LYS 23 Cb -0.10 -0.59 0.03 0.00 0.00 0.00 0.00 37.83 37.16 2kco s LYS 23 CO 0.44 -0.53 0.13 -0.98 0.00 0.00 0.00 175.35 174.41 2kco s ARG 24 N -3.66 0.08 -0.17 1.78 3.03 -1.26 -5.14 118.95 113.62 2kco s ARG 24 Ca 0.21 0.31 -0.29 0.00 2.03 0.00 0.00 55.73 57.99 2kco s ARG 24 Cb 0.01 -0.15 -0.01 0.00 -1.03 0.00 0.00 34.95 33.78 2kco s ARG 24 CO 0.15 -0.14 1.10 0.21 -1.13 0.00 0.00 175.30 175.49 2kco s LYS 25 N 0.98 4.30 -0.59 3.89 2.47 -1.26 -5.01 119.74 124.53 2kco s LYS 25 Ca -0.08 1.48 -0.28 0.00 -1.56 0.00 0.00 55.97 55.53 2kco s LYS 25 Cb -0.10 -3.64 0.02 0.00 -1.46 0.00 0.00 37.83 32.66 2kco s LYS 25 CO -0.05 -0.56 1.27 0.71 0.16 0.00 0.00 175.35 176.89 2kco s TYR 26 N 2.90 2.47 1.12 4.03 1.51 -1.26 -5.01 117.35 123.11 2kco s TYR 26 Ca 0.49 0.38 -0.17 0.00 -1.01 0.00 0.00 57.07 56.76 2kco s TYR 26 Cb -0.18 -4.49 0.25 0.00 -0.11 0.00 0.00 41.96 37.42 2kco s TYR 26 CO 0.12 -1.77 1.12 -1.21 -1.11 0.00 0.00 175.55 172.70 2kco s GLU 27 N 5.22 -0.58 0.29 -0.62 2.02 -1.26 -4.97 118.70 118.81 2kco s GLU 27 Ca 0.45 0.09 -0.30 0.00 0.02 0.00 0.00 54.97 55.23 2kco s GLU 27 Cb -0.09 -1.66 -0.11 0.00 0.10 0.00 0.00 34.13 32.38 2kco s GLU 27 CO 0.24 -3.31 1.50 0.42 0.02 0.00 0.00 175.26 174.13 2kco s ILE 28 N -3.06 2.32 0.64 -1.63 1.01 -1.26 -5.03 121.20 114.19 2kco s ILE 28 Ca 0.69 0.28 -0.11 0.00 0.00 0.00 0.00 60.65 61.51 2kco s ILE 28 Cb -0.12 -3.18 0.15 0.00 0.01 0.00 0.00 42.46 39.33 2kco s ILE 28 CO 0.56 0.05 0.68 0.61 0.00 0.00 0.00 174.94 176.84 2kco n GLY 29 N 1.82 -2.09 3.75 6.18 0.00 -1.26 -5.03 105.19 108.55 2kco n GLY 29 Ca 0.06 -1.57 -0.40 0.00 0.00 0.00 0.00 46.02 44.11 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 -3.42 7.43 0.27 1.61 0.01 -1.26 -5.03 114.94 114.54 2kco s ASN 30 Ca 0.41 2.07 -0.30 0.00 -0.71 0.00 0.00 52.86 54.34 2kco s ASN 30 Cb -0.03 -2.61 -0.10 0.00 0.41 0.00 0.00 41.25 38.92 2kco s ASN 30 CO 0.30 -0.04 1.35 -2.16 -1.51 0.00 0.00 177.10 175.04 2kco s PRO 31 N -0.97 4.34 0.73 -0.60 0.04 -1.26 -5.04 135.00 132.25 2kco s PRO 31 Ca 0.45 2.19 -0.09 0.00 0.04 0.00 0.00 61.00 63.59 2kco s PRO 31 Cb -0.28 -3.12 0.06 0.00 0.04 0.00 0.00 34.50 31.20 2kco s PRO 31 CO 0.35 -0.27 1.07 -1.25 0.04 0.00 0.00 177.00 176.94 2kco s PRO 32 N -0.85 2.23 0.51 0.56 0.04 -1.26 -5.08 135.00 131.15 2kco s PRO 32 Ca 0.54 -0.06 -0.19 0.00 0.04 0.00 0.00 61.00 61.33 2kco s PRO 32 Cb -0.39 -2.09 -0.07 0.00 0.04 0.00 0.00 34.50 31.98 2kco s PRO 32 CO 0.45 -1.30 1.04 0.95 0.04 0.00 0.00 177.00 178.18 2kco s THR 33 N -3.34 3.86 0.69 1.26 -4.23 -1.26 -5.07 115.64 107.55 2kco s THR 33 Ca 0.60 1.08 -0.10 0.00 -1.18 0.00 0.00 61.69 62.08 2kco s THR 33 Cb -0.11 -3.46 0.01 0.00 1.34 0.00 0.00 72.50 70.29 2kco s THR 33 CO 0.47 -0.33 1.06 -0.36 -0.54 0.00 0.00 174.62 174.92 2kco s PHE 34 N -2.14 3.31 0.21 3.99 0.08 -1.26 -5.04 117.98 117.14 2kco s PHE 34 Ca 0.66 0.97 -0.30 0.00 0.12 0.00 0.00 56.93 58.38 2kco s PHE 34 Cb -0.16 -3.02 -0.08 0.00 -0.57 0.00 0.00 43.02 39.20 2kco s PHE 34 CO 0.24 -1.12 1.08 0.95 -0.10 0.00 0.00 175.22 176.27 2kco s THR 35 N -3.30 3.78 0.31 0.64 -4.23 -1.26 -5.06 115.64 106.53 2kco s THR 35 Ca 0.57 1.63 -0.05 0.00 -1.18 0.00 0.00 61.69 62.66 2kco s THR 35 Cb -0.11 -4.04 -0.05 0.00 1.34 0.00 0.00 72.50 69.64 2kco s THR 35 CO 0.51 0.32 0.59 0.42 -0.54 0.00 0.00 174.62 175.92 2kco s THR 36 N -0.61 4.99 0.57 3.99 -4.23 -1.26 -5.11 115.64 113.99 2kco s THR 36 Ca 0.47 0.10 -0.08 0.00 -1.18 0.00 0.00 61.69 61.00 2kco s THR 36 Cb -0.30 -3.74 -0.03 0.00 1.34 0.00 0.00 72.50 69.77 2kco s THR 36 CO 0.36 -0.38 0.92 -1.48 -0.54 0.00 0.00 174.62 173.51 2kco s LEU 37 N -3.67 3.36 -0.05 4.79 0.05 -1.26 -5.01 118.68 116.90 2kco s LEU 37 Ca 0.45 1.11 0.07 0.00 0.05 0.00 0.00 54.13 55.80 2kco s LEU 37 Cb -0.11 -4.07 0.11 0.00 -2.05 0.00 0.00 46.19 40.07 2kco s LEU 37 CO 0.31 -0.82 0.98 -1.54 -0.55 0.00 0.00 176.35 174.73 2kco n SER 38 N -2.56 1.49 0.27 1.48 3.41 -1.26 -4.92 113.62 111.53 2kco n SER 38 Ca 0.04 -2.25 -0.16 0.00 -0.26 0.00 0.00 58.87 56.23 2kco n SER 38 Cb 0.55 -0.19 -0.08 0.00 -0.26 0.00 0.00 64.21 64.23 2kco n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kco h ALA 39 N 0.00 -0.67 0.00 7.33 0.00 -2.00 -2.50 119.26 121.42 2kco h ALA 39 Ca 0.00 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2kco h ALA 39 Cb 0.91 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2kco h ALA 39 CO 0.00 -0.89 -0.26 1.05 0.00 0.00 0.00 179.25 179.15 2kco h GLU 40 N -0.68 0.00 -0.55 0.00 4.11 -1.99 -1.73 114.58 113.75 2kco h GLU 40 Ca -0.06 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.26 2kco h GLU 40 Cb 0.54 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 2kco h GLU 40 CO 0.08 0.26 -0.08 0.22 0.07 0.00 0.00 179.01 179.56 2kco h ASP 41 N 0.00 1.01 -0.05 3.06 3.58 -1.89 -1.90 116.42 120.23 2kco h ASP 41 Ca -0.00 -0.32 -0.10 0.00 0.42 0.00 0.00 57.03 57.03 2kco h ASP 41 Cb 0.54 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 2kco h ASP 41 CO 0.03 1.11 -0.27 0.40 -2.88 0.00 0.00 179.24 177.63 2kco h ILE 42 N 0.91 1.27 0.00 2.25 2.04 -0.92 -2.96 117.51 120.10 2kco h ILE 42 Ca 0.15 -1.31 -0.09 0.00 1.00 0.00 0.00 64.86 64.61 2kco h ILE 42 Cb 0.64 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 2kco h ILE 42 CO 0.04 0.41 -0.45 0.03 0.00 0.00 0.00 178.15 178.19 2kco h ARG 43 N 0.43 0.00 0.05 2.37 2.47 -1.03 -0.27 114.38 118.39 2kco h ARG 43 Ca 0.06 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.52 2kco h ARG 43 Cb 0.70 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.03 2kco h ARG 43 CO 0.05 0.45 -1.07 0.97 0.56 0.00 0.00 179.97 180.93 2kco h ILE 44 N 0.00 1.37 -0.72 2.04 6.09 -1.30 -2.12 117.51 122.87 2kco h ILE 44 Ca -0.00 -2.52 -0.01 0.00 -1.37 0.00 0.00 64.86 60.95 2kco h ILE 44 Cb 1.01 2.56 -0.03 0.00 0.47 0.00 0.00 36.82 40.82 2kco h ILE 44 CO 0.06 0.76 0.40 0.50 -3.07 0.00 0.00 178.15 176.79 2kco h LYS 45 N 0.24 1.00 -0.70 2.19 1.63 -1.38 -2.95 116.57 116.59 2kco h LYS 45 Ca -0.12 -0.11 -0.06 0.00 -0.85 0.00 0.00 60.65 59.51 2kco h LYS 45 Cb 1.73 -0.20 -0.03 0.00 -0.60 0.00 0.00 32.23 33.13 2kco h LYS 45 CO 0.19 0.73 0.20 0.22 -3.45 0.00 0.00 179.45 177.34 2kco h ASP 46 N 1.01 1.03 -0.33 4.20 3.58 -0.88 -1.95 116.42 123.07 2kco h ASP 46 Ca 0.26 -0.20 -0.10 0.00 0.42 0.00 0.00 57.03 57.41 2kco h ASP 46 Cb 0.02 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.79 2kco h ASP 46 CO -0.04 0.97 -0.17 0.08 -2.88 0.00 0.00 179.24 177.19 2kco h ARG 47 N 1.05 0.71 -0.00 0.28 0.11 -1.23 -1.73 114.38 113.56 2kco h ARG 47 Ca 0.22 -0.31 0.00 0.00 0.10 0.00 0.00 59.98 59.99 2kco h ARG 47 Cb 0.32 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.39 2kco h ARG 47 CO -0.00 0.92 -0.02 -2.37 0.10 0.00 0.00 179.97 178.60 2kco n THR 48 N -4.33 0.00 0.00 0.08 5.66 -1.13 -2.66 114.28 111.91 2kco n THR 48 Ca -0.03 -0.01 0.10 0.00 -3.05 0.00 0.00 64.05 61.07 2kco n THR 48 Cb 0.40 -0.44 -0.15 0.00 -1.55 0.00 0.00 70.33 68.59 2kco n THR 48 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 2kco n LEU 49 N -1.22 0.01 -4.77 1.09 7.94 -0.74 -5.03 117.00 114.28 2kco n LEU 49 Ca 0.15 -0.01 -0.38 0.00 -1.11 0.00 0.00 56.01 54.66 2kco n LEU 49 Cb 0.24 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.17 2kco n LEU 49 CO 0.23 0.00 0.85 -0.83 -1.11 0.00 0.00 177.39 176.53 2kco s GLY 50 N -4.28 2.85 -0.30 -3.96 0.00 -0.66 -5.05 107.32 95.92 2kco s GLY 50 Ca -0.07 1.00 -0.16 0.00 0.00 0.00 0.00 44.72 45.49 2kco s GLY 50 CO 0.83 1.50 1.04 -0.32 0.00 0.00 0.00 173.10 176.16 2kco s GLY 51 N -1.14 -0.11 0.36 0.20 0.00 -1.26 -5.04 107.32 100.33 2kco s GLY 51 Ca 0.59 3.15 -0.04 0.00 0.00 0.00 0.00 44.72 48.41 2kco s GLY 51 CO 0.39 3.28 0.63 0.54 0.00 0.00 0.00 173.10 177.94 2kco s ASN 52 N 2.40 6.38 -0.39 1.64 4.22 -1.26 -5.08 114.94 122.84 2kco s ASN 52 Ca -0.02 0.75 -0.12 0.00 -2.14 0.00 0.00 52.86 51.32 2kco s ASN 52 Cb -0.05 -2.16 0.03 0.00 1.28 0.00 0.00 41.25 40.35 2kco s ASN 52 CO -0.17 -0.33 0.25 -0.36 -2.04 0.00 0.00 177.10 174.45 2kco s PHE 53 N -2.32 3.25 -0.20 1.54 0.08 -1.26 -5.08 117.98 113.99 2kco s PHE 53 Ca 0.45 -0.88 -0.29 0.00 0.12 0.00 0.00 56.93 56.32 2kco s PHE 53 Cb -0.10 -2.55 0.00 0.00 -0.57 0.00 0.00 43.02 39.80 2kco s PHE 53 CO 0.35 -0.65 1.09 0.21 -0.10 0.00 0.00 175.22 176.11 2kco s LYS 54 N 1.59 4.27 0.28 0.44 2.47 -1.26 -5.01 119.74 122.53 2kco s LYS 54 Ca 0.03 1.43 -0.29 0.00 -1.56 0.00 0.00 55.97 55.58 2kco s LYS 54 Cb -0.20 -3.65 -0.10 0.00 -1.46 0.00 0.00 37.83 32.42 2kco s LYS 54 CO 0.07 -0.61 1.42 0.54 0.16 0.00 0.00 175.35 176.94 2kco s VAL 55 N 3.12 2.57 0.31 4.02 0.11 -1.26 -5.00 120.40 124.27 2kco s VAL 55 Ca 0.47 0.51 -0.27 0.00 -2.93 0.00 0.00 61.98 59.76 2kco s VAL 55 Cb -0.17 -3.32 -0.09 0.00 -1.53 0.00 0.00 36.38 31.26 2kco s VAL 55 CO 0.09 0.10 0.99 -0.13 -3.33 0.00 0.00 175.10 172.82 2kco s ARG 56 N -0.89 4.57 0.32 1.54 1.81 -1.26 -5.05 118.95 119.99 2kco s ARG 56 Ca 0.56 1.47 -0.28 0.00 -1.72 0.00 0.00 55.73 55.77 2kco s ARG 56 Cb -0.42 -2.91 -0.10 0.00 -0.45 0.00 0.00 34.95 31.08 2kco s ARG 56 CO 0.48 0.23 1.17 -0.51 -0.68 0.00 0.00 175.30 175.99 2kco s LEU 57 N -1.90 4.43 1.13 2.53 2.01 -1.26 -5.05 118.68 120.57 2kco s LEU 57 Ca 0.49 2.40 -0.17 0.00 0.01 0.00 0.00 54.13 56.86 2kco s LEU 57 Cb -0.23 -3.74 0.25 0.00 0.01 0.00 0.00 46.19 42.49 2kco s LEU 57 CO 0.29 -0.38 1.11 -1.59 1.01 0.00 0.00 176.35 176.80 2kco s LYS 58 N -1.76 -0.64 0.41 1.70 -2.85 -1.26 -5.02 119.74 110.31 2kco s LYS 58 Ca 0.49 0.08 -0.25 0.00 -1.00 0.00 0.00 55.97 55.29 2kco s LYS 58 Cb -0.34 -1.65 -0.08 0.00 -2.06 0.00 0.00 37.83 33.70 2kco s LYS 58 CO 0.43 -3.36 1.20 0.71 0.10 0.00 0.00 175.35 174.44 2kco s TYR 59 N -3.04 2.99 0.57 1.78 2.02 -1.26 -5.04 117.35 115.37 2kco s TYR 59 Ca 0.69 1.52 -0.15 0.00 -0.37 0.00 0.00 57.07 58.75 2kco s TYR 59 Cb -0.12 -3.47 -0.05 0.00 -0.40 0.00 0.00 41.96 37.92 2kco s TYR 59 CO 0.56 -1.54 1.03 0.99 -1.57 0.00 0.00 175.55 175.02 2kco s THR 60 N -1.38 4.14 0.14 -0.71 2.01 -1.26 -5.00 115.64 113.59 2kco s THR 60 Ca 0.57 0.98 -0.31 0.00 0.31 0.00 0.00 61.69 63.24 2kco s THR 60 Cb -0.33 -3.54 -0.10 0.00 0.01 0.00 0.00 72.50 68.55 2kco s THR 60 CO 0.41 -0.63 1.58 -0.89 -0.69 0.00 0.00 174.62 174.40 2kco s THR 61 N -2.59 2.73 0.02 -0.82 2.01 -1.26 -4.98 115.64 110.75 2kco s THR 61 Ca 0.61 0.47 0.02 0.00 0.31 0.00 0.00 61.69 63.10 2kco s THR 61 Cb -0.13 -3.30 -0.02 0.00 0.01 0.00 0.00 72.50 69.06 2kco s THR 61 CO 0.37 0.03 -0.07 -0.89 -0.69 0.00 0.00 174.62 173.36 2kco s THR 62 N 1.47 0.52 -0.01 -0.82 2.01 -1.26 -1.58 115.64 115.97 2kco s THR 62 Ca 0.71 -0.70 0.07 0.00 0.31 0.00 0.00 61.69 62.08 2kco s THR 62 Cb -0.43 -0.52 -0.02 0.00 0.01 0.00 0.00 72.50 71.54 2kco s THR 62 CO 0.31 -0.14 -0.23 0.00 -0.69 0.00 0.00 174.62 173.88 2kco s ALA 63 N -0.80 2.34 -0.65 7.40 0.00 -0.30 -2.39 121.76 127.36 2kco s ALA 63 Ca -0.04 -1.12 -0.04 0.00 0.00 0.00 0.00 51.96 50.76 2kco s ALA 63 Cb -0.06 -0.65 0.17 0.00 0.00 0.00 0.00 23.12 22.57 2kco s ALA 63 CO 0.00 0.54 0.48 1.21 0.00 0.00 0.00 175.76 177.99 2kco s ASN 64 N -0.84 5.41 -0.04 0.00 2.47 -0.78 -1.43 114.94 119.72 2kco s ASN 64 Ca 0.11 -2.85 -0.30 0.00 0.42 0.00 0.00 52.86 50.24 2kco s ASN 64 Cb -0.10 -1.89 -0.03 0.00 -1.45 0.00 0.00 41.25 37.78 2kco s ASN 64 CO 0.01 -0.39 1.04 -0.69 -3.72 0.00 0.00 177.10 173.35 2kco s VAL 65 N -0.06 4.67 -0.02 -5.21 1.01 0.83 -0.99 120.40 120.64 2kco s VAL 65 Ca 0.17 1.93 -0.30 0.00 0.00 0.00 0.00 61.98 63.78 2kco s VAL 65 Cb -0.19 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 2kco s VAL 65 CO -0.04 0.07 1.24 -0.22 0.00 0.00 0.00 175.10 176.15 2kco s LEU 66 N 1.56 4.30 -0.48 3.92 1.98 -0.10 0.83 118.68 130.69 2kco s LEU 66 Ca 0.52 1.91 -0.29 0.00 -2.89 0.00 0.00 54.13 53.38 2kco s LEU 66 Cb -0.21 -3.56 0.03 0.00 0.66 0.00 0.00 46.19 43.10 2kco s LEU 66 CO 0.23 -0.59 1.12 -1.81 -1.89 0.00 0.00 176.35 173.41 2kco s ASP 67 N 1.48 6.61 0.64 3.68 1.01 -0.02 -3.47 116.67 126.60 2kco s ASP 67 Ca 0.58 0.41 0.39 0.00 0.71 0.00 0.00 52.55 54.64 2kco s ASP 67 Cb -0.27 -2.54 2.14 0.00 1.01 0.00 0.00 42.92 43.27 2kco s ASP 67 CO 0.24 -1.25 2.21 1.55 0.21 0.00 0.00 175.17 178.13 2kco h PRO 68 N 9.23 0.00 0.00 8.23 0.13 -1.90 0.12 132.00 147.82 2kco h PRO 68 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2kco h PRO 68 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2kco h PRO 68 CO 1.12 0.00 -0.16 0.00 -0.23 0.00 0.00 178.00 178.73 2kco h ALA 69 N 1.83 0.00 0.00 -0.56 0.00 -1.93 -3.40 119.26 115.20 2kco h ALA 69 Ca 0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 2kco h ALA 69 Cb 0.16 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2kco h ALA 69 CO 0.00 0.16 -0.26 1.79 0.00 0.00 0.00 179.25 180.94 2kco h THR 70 N -0.46 0.52 -5.18 0.00 1.35 -1.99 -3.48 112.91 103.67 2kco h THR 70 Ca 0.00 -1.41 -0.19 0.00 -0.55 0.00 0.00 66.41 64.27 2kco h THR 70 Cb 0.16 2.00 0.15 0.00 -1.73 0.00 0.00 68.15 68.73 2kco h THR 70 CO 0.00 0.25 -0.64 -3.20 -0.25 0.00 0.00 175.52 171.69 2kco n ASN 71 N -3.27 -6.35 -4.10 5.36 2.85 0.43 -5.05 115.26 105.14 2kco n ASN 71 Ca 0.01 -0.54 -0.15 0.00 -0.11 0.00 0.00 54.58 53.80 2kco n ASN 71 Cb 0.54 -4.75 -0.12 0.00 1.24 0.00 0.00 39.78 36.69 2kco n ASN 71 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2kco s THR 72 N -3.29 0.72 0.30 -0.44 -4.23 -1.24 -4.93 115.64 102.53 2kco s THR 72 Ca 0.34 -1.16 -0.14 0.00 -1.18 0.00 0.00 61.69 59.54 2kco s THR 72 Cb -0.04 -0.77 -0.09 0.00 1.34 0.00 0.00 72.50 72.94 2kco s THR 72 CO 0.66 -0.34 0.71 0.00 -0.54 0.00 0.00 174.62 175.11 2kco s ALA 73 N -1.38 3.36 -0.22 3.99 0.00 -1.26 -0.84 121.76 125.42 2kco s ALA 73 Ca -0.07 0.00 -0.04 0.00 0.00 0.00 0.00 51.96 51.86 2kco s ALA 73 Cb -0.10 -2.72 0.11 0.00 0.00 0.00 0.00 23.12 20.41 2kco s ALA 73 CO 0.01 0.36 0.32 0.21 0.00 0.00 0.00 175.76 176.65 2kco s LYS 74 N -2.90 0.27 -0.46 0.00 2.20 0.24 -4.94 119.74 114.16 2kco s LYS 74 Ca 0.53 0.49 -0.11 0.00 -0.36 0.00 0.00 55.97 56.51 2kco s LYS 74 Cb -0.11 -0.61 0.09 0.00 -1.51 0.00 0.00 37.83 35.70 2kco s LYS 74 CO 0.18 -0.58 0.34 0.21 -0.36 0.00 0.00 175.35 175.14 2kco s LYS 75 N 2.47 2.70 0.12 4.03 2.20 -1.26 -0.12 119.74 129.88 2kco s LYS 75 Ca 0.09 -1.53 0.07 0.00 -0.36 0.00 0.00 55.97 54.23 2kco s LYS 75 Cb -0.15 -3.95 -0.04 0.00 -1.51 0.00 0.00 37.83 32.19 2kco s LYS 75 CO -0.14 -1.07 -0.16 0.14 -0.36 0.00 0.00 175.35 173.77 2kco s VAL 76 N 1.48 1.45 0.49 4.02 -7.23 -0.51 -4.98 120.40 115.12 2kco s VAL 76 Ca 0.04 -1.63 -0.23 0.00 -1.81 0.00 0.00 61.98 58.35 2kco s VAL 76 Cb -0.25 -1.50 -0.06 0.00 0.56 0.00 0.00 36.38 35.13 2kco s VAL 76 CO 0.03 -0.29 1.25 -0.75 -0.31 0.00 0.00 175.10 175.03 2kco s LYS 77 N -2.35 3.52 0.01 4.82 2.20 -1.26 -1.15 119.74 125.53 2kco s LYS 77 Ca 0.07 1.99 -0.26 0.00 -0.36 0.00 0.00 55.97 57.41 2kco s LYS 77 Cb -0.07 -2.37 -0.04 0.00 -1.51 0.00 0.00 37.83 33.84 2kco s LYS 77 CO 0.04 -0.81 0.83 0.42 -0.36 0.00 0.00 175.35 175.46 2kco s ILE 78 N -1.43 4.81 0.00 5.43 1.01 -0.61 -2.81 121.20 127.60 2kco s ILE 78 Ca 0.66 1.74 0.00 0.00 0.00 0.00 0.00 60.65 63.06 2kco s ILE 78 Cb -0.34 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 37.96 2kco s ILE 78 CO 0.41 0.28 0.00 0.18 0.00 0.00 0.00 174.94 175.81 2kco n LEU 79 N 3.31 0.86 -3.51 2.97 4.77 -0.37 -4.93 117.00 120.09 2kco n LEU 79 Ca 0.00 0.08 -0.09 0.00 -0.03 0.00 0.00 56.01 55.98 2kco n LEU 79 Cb 0.51 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.39 2kco n LEU 79 CO 0.49 -0.19 0.61 -1.83 -1.33 0.00 0.00 177.39 175.14 2kco s GLU 80 N -0.37 1.00 0.31 3.23 1.03 -1.22 -4.98 118.70 117.69 2kco s GLU 80 Ca 0.00 -0.40 -0.27 0.00 0.03 0.00 0.00 54.97 54.33 2kco s GLU 80 Cb 0.00 0.44 -0.10 0.00 -0.80 0.00 0.00 34.13 33.68 2kco s GLU 80 CO 0.00 -0.44 0.96 0.96 -1.33 0.00 0.00 175.26 175.41 2kco s ILE 81 N -3.33 4.08 -0.14 1.83 -0.00 -1.26 -0.60 121.20 121.78 2kco s ILE 81 Ca 0.05 1.82 -0.15 0.00 -0.00 0.00 0.00 60.65 62.37 2kco s ILE 81 Cb -0.01 -4.05 -0.05 0.00 -0.00 0.00 0.00 42.46 38.35 2kco s ILE 81 CO -0.09 0.23 -0.29 0.18 -0.00 0.00 0.00 174.94 174.98 2kco n LEU 82 N 0.76 1.63 -4.59 0.37 7.99 -0.54 -4.82 117.00 117.81 2kco n LEU 82 Ca 0.01 0.28 -0.42 0.00 -0.01 0.00 0.00 56.01 55.86 2kco n LEU 82 Cb 0.49 -0.69 -0.02 0.00 -0.11 0.00 0.00 43.42 43.09 2kco n LEU 82 CO 0.46 -0.32 1.22 -0.70 -1.51 0.00 0.00 177.39 176.54 2kco s GLU 83 N -2.60 3.42 -0.14 3.23 2.56 -1.25 -4.97 118.70 118.96 2kco s GLU 83 Ca -0.24 0.59 -0.29 0.00 0.00 0.00 0.00 54.97 55.03 2kco s GLU 83 Cb 0.03 -4.07 -0.03 0.00 2.00 0.00 0.00 34.13 32.06 2kco s GLU 83 CO 0.35 -1.77 1.40 0.95 -0.56 0.00 0.00 175.26 175.63 2kco s THR 84 N 5.70 4.03 0.60 -1.70 -4.23 -1.26 -3.74 115.64 115.04 2kco s THR 84 Ca 0.54 1.24 -0.19 0.00 -1.18 0.00 0.00 61.69 62.10 2kco s THR 84 Cb -0.11 -3.82 -0.04 0.00 1.34 0.00 0.00 72.50 69.87 2kco s THR 84 CO 0.28 -0.14 1.20 -2.65 -0.54 0.00 0.00 174.62 172.78 2kco n PRO 85 N 6.85 1.22 0.26 3.99 -0.02 -1.26 -4.92 135.00 141.12 2kco n PRO 85 Ca 0.15 0.46 0.13 0.00 -2.02 0.00 0.00 63.50 62.23 2kco n PRO 85 Cb 0.44 -2.42 0.71 0.00 -0.02 0.00 0.00 33.50 32.22 2kco n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kco h ALA 86 N 0.80 1.21 -0.91 3.55 0.00 -2.01 -1.56 119.26 120.33 2kco h ALA 86 Ca -0.50 -0.11 -0.65 0.00 0.00 0.00 0.00 54.91 53.65 2kco h ALA 86 Cb 1.34 -0.02 -0.26 0.00 0.00 0.00 0.00 17.79 18.85 2kco h ALA 86 CO 0.54 0.15 0.84 0.27 0.00 0.00 0.00 179.25 181.05 2kco n ASN 87 N -3.54 7.47 -0.34 0.00 6.94 -1.26 -4.73 115.26 119.80 2kco n ASN 87 Ca -0.01 -3.69 0.19 0.00 -0.02 0.00 0.00 54.58 51.05 2kco n ASN 87 Cb 0.26 -1.02 0.42 0.00 -2.36 0.00 0.00 39.78 37.08 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 2.21 0.50 -0.90 -3.83 -0.00 -1.64 -0.18 116.57 112.73 2kco h LYS 88 Ca 0.55 -0.03 0.13 0.00 -0.00 0.00 0.00 60.65 61.30 2kco h LYS 88 Cb 0.64 -0.11 -0.07 0.00 -0.00 0.00 0.00 32.23 32.69 2kco h LYS 88 CO 1.43 0.33 0.58 1.05 -0.00 0.00 0.00 179.45 182.84 2kco h GLU 89 N 0.52 0.75 0.03 0.07 4.11 -1.87 -0.31 114.58 117.87 2kco h GLU 89 Ca 0.65 -0.04 -0.23 0.00 0.07 0.00 0.00 59.36 59.81 2kco h GLU 89 Cb 1.35 -0.17 0.02 0.00 0.50 0.00 0.00 28.75 30.45 2kco h GLU 89 CO -0.46 0.49 -0.90 -0.07 0.07 0.00 0.00 179.01 178.14 2kco h LEU 90 N 0.77 0.74 -2.38 3.06 -0.00 -1.34 -3.23 115.31 112.93 2kco h LEU 90 Ca 0.44 -0.78 0.00 0.00 -0.00 0.00 0.00 57.88 57.55 2kco h LEU 90 Cb 0.62 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 41.05 2kco h LEU 90 CO -0.21 1.42 0.02 0.00 -0.00 0.00 0.00 178.44 179.67 2kco h ALA 91 N 0.33 1.01 -0.18 1.53 0.00 -0.40 0.28 119.26 121.84 2kco h ALA 91 Ca -0.12 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 2kco h ALA 91 Cb 1.59 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 2kco h ALA 91 CO 0.18 -0.01 -0.58 0.00 0.00 0.00 0.00 179.25 178.83 2kco h ARG 92 N 0.00 0.58 0.00 0.00 3.08 -1.11 -2.19 114.38 114.74 2kco h ARG 92 Ca 0.00 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.66 2kco h ARG 92 Cb 0.03 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2kco h ARG 92 CO 0.00 1.00 0.00 0.54 -1.07 0.00 0.00 179.97 180.44 2kco n ARG 93 N -3.95 0.09 -0.59 0.04 1.74 -0.14 -4.89 116.66 108.95 2kco n ARG 93 Ca -0.04 0.27 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 2kco n ARG 93 Cb 0.63 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 2kco n ARG 93 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2kco n GLY 94 N 0.36 0.72 3.56 -0.13 0.00 -0.79 -4.99 105.19 103.91 2kco n GLY 94 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.27 4.21 0.18 -0.61 -1.09 -0.10 -4.88 121.20 116.65 2kco s ILE 95 Ca 0.00 -1.71 -0.18 0.00 -2.23 0.00 0.00 60.65 56.53 2kco s ILE 95 Cb 0.00 -5.11 -0.08 0.00 -1.58 0.00 0.00 42.46 35.69 2kco s ILE 95 CO 0.00 -1.93 0.65 -0.63 -1.23 0.00 0.00 174.94 171.79 2kco s ILE 96 N 4.02 4.68 -0.01 2.92 1.01 -1.26 -2.37 121.20 130.19 2kco s ILE 96 Ca 0.50 1.12 -0.15 0.00 0.00 0.00 0.00 60.65 62.12 2kco s ILE 96 Cb 0.02 -3.83 -0.06 0.00 0.01 0.00 0.00 42.46 38.61 2kco s ILE 96 CO 0.02 0.27 0.42 -0.51 0.00 0.00 0.00 174.94 175.14 2kco s ILE 97 N -1.45 5.03 -0.17 2.92 2.07 -1.26 -4.31 121.20 124.03 2kco s ILE 97 Ca 0.39 0.87 -0.35 0.00 -1.41 0.00 0.00 60.65 60.16 2kco s ILE 97 Cb -0.17 -3.73 -0.12 0.00 0.13 0.00 0.00 42.46 38.58 2kco s ILE 97 CO 0.20 0.55 1.96 -1.14 -1.91 0.00 0.00 174.94 174.59 2kco n ARG 98 N 2.06 1.83 0.00 3.50 0.00 -1.26 -2.00 116.66 120.79 2kco n ARG 98 Ca -0.13 0.64 0.00 0.00 -0.00 0.00 0.00 57.85 58.36 2kco n ARG 98 Cb 0.52 -2.60 0.00 0.00 0.00 0.00 0.00 32.46 30.38 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 4.91 1.50 3.82 5.14 0.00 -0.01 -5.01 105.19 115.54 2kco n GLY 99 Ca 0.27 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.01 3.53 0.43 4.61 0.00 -0.85 -4.82 121.76 122.65 2kco s ALA 100 Ca 0.00 0.04 -0.13 0.00 0.00 0.00 0.00 51.96 51.87 2kco s ALA 100 Cb 0.00 -2.67 -0.07 0.00 0.00 0.00 0.00 23.12 20.38 2kco s ALA 100 CO 0.00 0.39 0.84 0.15 0.00 0.00 0.00 175.76 177.14 2kco s LYS 101 N -1.63 3.86 0.06 0.00 1.02 -1.24 -1.40 119.74 120.40 2kco s LYS 101 Ca 0.36 0.64 -0.15 0.00 0.02 0.00 0.00 55.97 56.84 2kco s LYS 101 Cb -0.17 -2.31 0.03 0.00 -0.52 0.00 0.00 37.83 34.85 2kco s LYS 101 CO 0.20 -0.09 0.35 -1.50 -0.92 0.00 0.00 175.35 173.38 2kco s ILE 102 N -2.41 0.08 -0.09 2.17 2.07 -0.03 -1.47 121.20 121.51 2kco s ILE 102 Ca 0.54 -0.63 0.01 0.00 -1.41 0.00 0.00 60.65 59.16 2kco s ILE 102 Cb -0.10 -1.01 -0.02 0.00 0.13 0.00 0.00 42.46 41.45 2kco s ILE 102 CO 0.30 -0.35 -0.11 -0.13 -1.91 0.00 0.00 174.94 172.74 2kco s ARG 103 N -2.84 2.98 0.30 3.50 0.52 0.23 -0.95 118.95 122.69 2kco s ARG 103 Ca -0.03 -0.64 0.00 0.00 -0.52 0.00 0.00 55.73 54.54 2kco s ARG 103 Cb 0.00 -2.57 -0.00 0.00 0.52 0.00 0.00 34.95 32.90 2kco s ARG 103 CO -0.05 0.45 0.01 0.25 0.02 0.00 0.00 175.30 175.98 2kco n THR 104 N 2.83 0.00 -0.02 0.02 -2.24 -0.50 -1.23 114.28 113.15 2kco n THR 104 Ca -0.18 -1.46 0.02 0.00 -2.27 0.00 0.00 64.05 60.17 2kco n THR 104 Cb 0.53 0.32 0.37 0.00 -2.10 0.00 0.00 70.33 69.44 2kco n THR 104 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2kco h GLU 105 N 0.00 0.57 0.00 -0.78 4.39 -1.82 -3.32 114.58 113.63 2kco h GLU 105 Ca -0.25 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.39 2kco h GLU 105 Cb 0.77 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 2kco h GLU 105 CO 0.41 0.44 -0.00 0.00 -1.16 0.00 0.00 179.01 178.70 2kco h ALA 106 N 1.65 -0.50 -2.78 3.43 0.00 -1.96 -3.51 119.26 115.59 2kco h ALA 106 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2kco h ALA 106 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2kco h ALA 106 CO -0.02 -0.50 0.00 0.41 0.00 0.00 0.00 179.25 179.14 2kco n GLY 107 N 0.51 2.41 3.71 0.00 0.00 -1.25 -5.12 105.19 105.44 2kco n GLY 107 Ca -0.00 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 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 4.36 0.24 0.99 2.96 -1.26 -1.41 118.68 124.57 2kco s LEU 108 Ca 0.00 2.30 0.02 0.00 -0.22 0.00 0.00 54.13 56.24 2kco s LEU 108 Cb 0.00 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.06 2kco s LEU 108 CO 0.00 -0.67 0.04 0.00 -1.32 0.00 0.00 176.35 174.40 2kco s ALA 109 N 1.30 1.77 -0.09 5.97 0.00 -0.12 -0.81 121.76 129.78 2kco s ALA 109 Ca 0.65 -1.81 0.03 0.00 0.00 0.00 0.00 51.96 50.83 2kco s ALA 109 Cb -0.36 0.72 -0.01 0.00 0.00 0.00 0.00 23.12 23.46 2kco s ALA 109 CO 0.30 -0.34 -0.19 0.54 0.00 0.00 0.00 175.76 176.07 2kco s VAL 110 N -3.56 2.55 -0.09 0.00 0.11 -0.06 -0.85 120.40 118.49 2kco s VAL 110 Ca 0.32 -0.86 -0.30 0.00 -2.93 0.00 0.00 61.98 58.21 2kco s VAL 110 Cb 0.07 -2.00 -0.05 0.00 -1.53 0.00 0.00 36.38 32.87 2kco s VAL 110 CO 0.10 0.55 1.59 0.68 -3.33 0.00 0.00 175.10 174.70 2kco s VAL 111 N 0.06 3.71 -0.36 2.04 -7.23 -0.49 -0.79 120.40 117.33 2kco s VAL 111 Ca -0.08 0.85 0.04 0.00 -1.81 0.00 0.00 61.98 60.98 2kco s VAL 111 Cb -0.15 -3.56 0.11 0.00 0.56 0.00 0.00 36.38 33.34 2kco s VAL 111 CO 0.05 -0.09 1.08 1.07 -0.31 0.00 0.00 175.10 176.90 2kco n THR 112 N 5.55 0.97 -3.75 5.32 5.66 -0.45 -0.83 114.28 126.75 2kco n THR 112 Ca 0.17 -0.99 -0.10 0.00 -3.05 0.00 0.00 64.05 60.08 2kco n THR 112 Cb 0.43 0.52 -0.07 0.00 -1.55 0.00 0.00 70.33 69.66 2kco n THR 112 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2kco s SER 113 N -0.98 -0.08 0.87 1.09 0.15 -0.98 -4.94 113.70 108.83 2kco s SER 113 Ca 0.09 -0.37 -0.12 0.00 0.70 0.00 0.00 55.95 56.25 2kco s SER 113 Cb 0.05 0.38 0.12 0.00 -1.71 0.00 0.00 66.02 64.85 2kco s SER 113 CO 0.06 -0.71 1.10 0.00 1.20 0.00 0.00 173.24 174.89 2kco s ARG 114 N -3.29 1.45 -0.10 5.44 1.04 -1.26 -3.99 118.95 118.24 2kco s ARG 114 Ca 0.00 0.64 -0.29 0.00 -1.04 0.00 0.00 55.73 55.04 2kco s ARG 114 Cb 0.02 -1.85 -0.07 0.00 -2.04 0.00 0.00 34.95 31.02 2kco s ARG 114 CO -0.08 -2.06 2.04 -1.25 -0.04 0.00 0.00 175.30 173.91 2kco s PRO 115 N -5.07 3.67 1.15 3.89 0.04 -1.26 -4.19 135.00 133.23 2kco s PRO 115 Ca 0.63 2.26 -0.14 0.00 0.04 0.00 0.00 61.00 63.79 2kco s PRO 115 Cb -0.16 -4.24 0.27 0.00 0.04 0.00 0.00 34.50 30.41 2kco s PRO 115 CO 0.55 -1.48 1.04 0.20 0.04 0.00 0.00 177.00 177.35 2kco s GLY 116 N 6.07 1.54 0.53 0.56 0.00 -0.57 -4.85 107.32 110.59 2kco s GLY 116 Ca 0.92 -0.31 0.28 0.00 0.00 0.00 0.00 44.72 45.60 2kco s GLY 116 CO 0.37 0.42 2.09 0.06 0.00 0.00 0.00 173.10 176.04 2kco h GLN 117 N -2.50 0.00 0.00 2.90 3.07 -1.95 -0.43 115.11 116.20 2kco h GLN 117 Ca -0.59 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.15 2kco h GLN 117 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.90 2kco h GLN 117 CO 0.51 0.11 0.00 -0.40 0.09 0.00 0.00 178.83 179.14 2kco n ASP 118 N -3.65 0.36 0.00 0.06 5.75 -1.26 -4.92 116.55 112.89 2kco n ASP 118 Ca -0.02 0.57 0.00 0.00 -0.01 0.00 0.00 54.79 55.33 2kco n ASP 118 Cb 0.22 -0.65 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 2kco n ASP 118 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kco n GLY 119 N 0.53 1.81 3.76 6.12 0.00 -0.17 -5.05 105.19 112.19 2kco n GLY 119 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.38 4.54 -0.31 1.61 1.01 -1.26 -4.67 120.40 118.94 2kco s VAL 120 Ca 0.00 1.67 -0.08 0.00 0.00 0.00 0.00 61.98 63.57 2kco s VAL 120 Cb 0.00 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.26 2kco s VAL 120 CO 0.00 0.45 0.12 -0.63 0.00 0.00 0.00 175.10 175.04 2kco s ILE 121 N -0.65 4.27 0.19 2.22 1.09 -1.01 -1.51 121.20 125.81 2kco s ILE 121 Ca 0.37 -0.59 -0.30 0.00 -1.10 0.00 0.00 60.65 59.03 2kco s ILE 121 Cb -0.22 -3.21 -0.08 0.00 -1.06 0.00 0.00 42.46 37.90 2kco s ILE 121 CO 0.25 0.05 1.16 0.20 -0.10 0.00 0.00 174.94 176.51 2kco s ASN 122 N 1.55 7.14 0.34 3.58 0.02 -1.26 -1.87 114.94 124.44 2kco s ASN 122 Ca 0.03 2.20 0.04 0.00 -1.02 0.00 0.00 52.86 54.11 2kco s ASN 122 Cb -0.17 -2.61 -0.06 0.00 0.02 0.00 0.00 41.25 38.43 2kco s ASN 122 CO 0.04 -0.32 0.06 0.00 0.02 0.00 0.00 177.10 176.91 2kco s ALA 123 N -0.20 2.46 -0.04 0.60 0.00 -0.16 -1.34 121.76 123.08 2kco s ALA 123 Ca 0.51 -1.97 0.02 0.00 0.00 0.00 0.00 51.96 50.52 2kco s ALA 123 Cb -0.32 0.65 0.01 0.00 0.00 0.00 0.00 23.12 23.46 2kco s ALA 123 CO 0.37 -0.30 -0.07 0.08 0.00 0.00 0.00 175.76 175.84 2kco s VAL 124 N -3.27 0.65 -0.02 0.00 1.01 0.03 -0.93 120.40 117.88 2kco s VAL 124 Ca 0.35 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 2kco s VAL 124 Cb 0.08 -0.63 -0.07 0.00 0.00 0.00 0.00 36.38 35.76 2kco s VAL 124 CO 0.15 0.23 1.90 -0.76 0.00 0.00 0.00 175.10 176.63 2kco s LEU 125 N 0.59 4.30 0.21 3.92 1.43 -1.23 -0.88 118.68 127.03 2kco s LEU 125 Ca -0.09 2.46 0.06 0.00 -1.03 0.00 0.00 54.13 55.53 2kco s LEU 125 Cb -0.12 -3.53 0.16 0.00 0.03 0.00 0.00 46.19 42.73 2kco s LEU 125 CO 0.01 -1.11 1.49 -0.07 0.23 0.00 0.00 176.35 176.90 2kco h LEU 126 N 10.96 0.17 -8.32 1.79 3.38 -1.26 -3.39 115.31 118.64 2kco h LEU 126 Ca -0.46 -0.12 -0.46 0.00 0.09 0.00 0.00 57.88 56.93 2kco h LEU 126 Cb 1.22 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.86 2kco h LEU 126 CO 0.95 0.84 1.14 -0.54 0.09 0.00 0.00 178.44 180.91 2kco s LYS 127 N -3.46 2.87 0.18 1.13 -0.14 -0.85 -4.94 119.74 114.54 2kco s LYS 127 Ca -0.02 -0.11 -0.11 0.00 -1.36 0.00 0.00 55.97 54.37 2kco s LYS 127 Cb 0.11 -4.71 -0.00 0.00 -1.68 0.00 0.00 37.83 31.56 2kco s LYS 127 CO 0.80 -2.72 0.35 0.54 -0.76 0.00 0.00 175.35 173.56 2kco s ASN 128 N 6.72 -0.03 -0.18 2.83 2.20 -1.26 -4.91 114.94 120.31 2kco s ASN 128 Ca 0.58 -0.82 -0.04 0.00 -0.94 0.00 0.00 52.86 51.64 2kco s ASN 128 Cb -0.08 0.48 -0.03 0.00 -2.00 0.00 0.00 41.25 39.63 2kco s ASN 128 CO 0.08 -0.96 -0.02 -0.70 -2.94 0.00 0.00 177.10 172.56 2kco s GLU 129 N -3.96 3.64 0.03 3.55 -6.30 -1.26 -5.11 118.70 109.29 2kco s GLU 129 Ca 0.17 -0.52 0.06 0.00 -2.50 0.00 0.00 54.97 52.18 2kco s GLU 129 Cb 0.02 -2.99 -0.02 0.00 0.00 0.00 0.00 34.13 31.14 2kco s GLU 129 CO 0.01 0.13 -0.16 0.45 0.02 0.00 0.00 175.26 175.71 2kco s SER 130 N 0.66 1.95 -0.47 -1.70 0.15 -1.26 -4.97 113.70 108.06 2kco s SER 130 Ca -0.01 -0.45 -0.28 0.00 0.70 0.00 0.00 55.95 55.91 2kco s SER 130 Cb -0.14 -0.15 -0.02 0.00 -1.71 0.00 0.00 66.02 64.00 2kco s SER 130 CO 0.02 0.10 1.80 -1.58 1.20 0.00 0.00 173.24 174.78 2kco s GLN 131 N -1.03 3.02 -0.00 5.44 0.74 -1.26 -4.96 119.66 121.60 2kco s GLN 131 Ca 0.04 1.02 -0.10 0.00 0.05 0.00 0.00 55.36 56.37 2kco s GLN 131 Cb -0.08 -4.27 0.01 0.00 1.10 0.00 0.00 33.01 29.77 2kco s GLN 131 CO 0.01 -2.25 0.21 0.50 -0.55 0.00 0.00 175.29 173.21 2kco s ARG 132 N 6.26 0.56 0.00 1.67 3.52 -1.26 -5.37 118.95 124.33 2kco s ARG 132 Ca 0.73 -0.31 0.10 0.00 -0.13 0.00 0.00 55.73 56.12 2kco s ARG 132 Cb -0.17 0.24 0.61 0.00 -1.56 0.00 0.00 34.95 34.07 2kco s ARG 132 CO 0.28 -0.14 1.05 0.43 -0.81 0.00 0.00 175.30 176.11