#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 2.19 3.13 3.17 0.00 -1.26 -5.10 105.19 107.32 2kco n GLY 2 Ca 0.00 0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 3.67 0.40 1.61 0.40 -1.26 -5.05 117.98 117.75 2kco s PHE 3 Ca 0.00 -2.77 0.02 0.00 -0.60 0.00 0.00 56.93 53.58 2kco s PHE 3 Cb 0.00 -3.30 -0.01 0.00 0.51 0.00 0.00 43.02 40.22 2kco s PHE 3 CO 0.00 -0.82 0.08 0.66 0.70 0.00 0.00 175.22 175.85 2kco n TYR 4 N 3.03 0.47 -3.97 0.36 4.01 -1.26 -5.19 117.16 114.61 2kco n TYR 4 Ca 0.15 -2.34 -0.09 0.00 -0.16 0.00 0.00 57.90 55.46 2kco n TYR 4 Cb 0.38 -0.12 -0.08 0.00 -0.31 0.00 0.00 39.34 39.22 2kco n TYR 4 CO 0.00 0.00 0.00 1.14 -0.46 0.00 0.00 176.86 177.54 2kco s GLN 5 N -3.50 1.03 -0.44 -0.72 0.00 -1.26 -5.12 119.66 109.65 2kco s GLN 5 Ca 0.12 -1.17 0.07 0.00 -0.00 0.00 0.00 55.36 54.38 2kco s GLN 5 Cb 0.01 0.34 0.26 0.00 0.00 0.00 0.00 33.01 33.61 2kco s GLN 5 CO 0.08 -0.35 0.74 0.41 0.00 0.00 0.00 175.29 176.17 2kco n GLY 6 N -0.15 1.57 3.74 2.60 0.00 -1.26 -5.13 105.19 106.55 2kco n GLY 6 Ca -0.09 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.38 4.62 -0.10 1.61 0.04 -1.26 -5.08 135.00 134.45 2kco s PRO 7 Ca 0.33 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.66 2kco s PRO 7 Cb 0.22 -3.37 -0.02 0.00 0.04 0.00 0.00 34.50 31.37 2kco s PRO 7 CO -0.16 0.25 -0.09 0.16 0.04 0.00 0.00 177.00 177.20 2kco s ASP 8 N -0.07 4.40 -0.03 6.66 -4.77 -1.26 -5.13 116.67 116.48 2kco s ASP 8 Ca 0.43 -0.15 0.02 0.00 -3.30 0.00 0.00 52.55 49.55 2kco s ASP 8 Cb -0.22 -1.33 0.01 0.00 -1.09 0.00 0.00 42.92 40.29 2kco s ASP 8 CO 0.27 0.28 -0.07 0.21 0.70 0.00 0.00 175.17 176.55 2kco s ASN 9 N -0.29 1.02 -0.17 2.11 3.84 -1.26 -5.13 114.94 115.06 2kco s ASN 9 Ca 0.03 -0.15 0.00 0.00 0.21 0.00 0.00 52.86 52.95 2kco s ASN 9 Cb -0.13 -0.30 0.03 0.00 -0.55 0.00 0.00 41.25 40.31 2kco s ASN 9 CO 0.03 0.04 -0.10 0.00 -2.79 0.00 0.00 177.10 174.27 2kco s ARG 10 N 0.30 1.93 0.20 0.43 1.70 -1.26 -5.13 118.95 117.12 2kco s ARG 10 Ca -0.04 -0.63 -0.30 0.00 -0.47 0.00 0.00 55.73 54.29 2kco s ARG 10 Cb -0.09 -2.16 -0.08 0.00 -0.57 0.00 0.00 34.95 32.05 2kco s ARG 10 CO 0.00 -0.36 1.12 0.15 -1.08 0.00 0.00 175.30 175.14 2kco s LYS 11 N 1.50 4.58 -1.22 3.89 -0.14 -1.26 -4.95 119.74 122.14 2kco s LYS 11 Ca 0.02 1.77 -0.19 0.00 -1.36 0.00 0.00 55.97 56.21 2kco s LYS 11 Cb -0.15 -3.25 -0.01 0.00 -1.68 0.00 0.00 37.83 32.74 2kco s LYS 11 CO -0.09 0.06 1.94 -0.89 -0.76 0.00 0.00 175.35 175.61 2kco n ILE 12 N 2.21 3.01 -2.09 2.17 2.08 -1.26 -4.75 119.36 120.73 2kco n ILE 12 Ca 0.02 -2.94 -0.37 0.00 0.56 0.00 0.00 62.75 60.03 2kco n ILE 12 Cb 0.46 -2.37 0.03 0.00 -0.75 0.00 0.00 39.64 37.00 2kco n ILE 12 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 2kco n THR 13 N 6.32 3.45 -1.93 1.39 -1.04 -1.26 -4.94 114.28 116.27 2kco n THR 13 Ca 0.49 -4.54 0.00 0.00 -2.04 0.00 0.00 64.05 57.95 2kco n THR 13 Cb 0.43 -1.26 0.00 0.00 -1.82 0.00 0.00 70.33 67.68 2kco n THR 13 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kco n GLY 14 N -0.50 0.11 2.84 3.41 0.00 -1.26 -5.05 105.19 104.73 2kco n GLY 14 Ca 0.50 -1.54 -0.19 0.00 0.00 0.00 0.00 46.02 44.79 2kco n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kco n GLY 15 N 0.00 -0.32 0.48 -0.02 0.00 -1.26 -4.91 105.19 99.16 2kco n GLY 15 Ca 0.00 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.12 2kco n GLY 15 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2kco n LEU 16 N -3.48 1.99 -4.56 0.99 -0.00 -1.26 -4.86 117.00 105.83 2kco n LEU 16 Ca -0.09 -0.75 -0.33 0.00 -0.00 0.00 0.00 56.01 54.84 2kco n LEU 16 Cb 0.60 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.98 2kco n LEU 16 CO 0.41 0.37 1.45 -0.75 -0.00 0.00 0.00 177.39 178.86 2kco s LYS 17 N -2.47 2.70 -0.30 1.47 2.20 -1.26 -4.82 119.74 117.27 2kco s LYS 17 Ca 0.18 -0.00 -0.08 0.00 -0.36 0.00 0.00 55.97 55.71 2kco s LYS 17 Cb 0.18 -4.77 0.19 0.00 -1.51 0.00 0.00 37.83 31.91 2kco s LYS 17 CO 0.58 -2.96 0.93 0.20 -0.36 0.00 0.00 175.35 173.73 2kco s GLY 18 N 7.56 -0.84 0.50 5.54 0.00 -1.26 -5.16 107.32 113.65 2kco s GLY 18 Ca 0.65 2.07 -0.23 0.00 0.00 0.00 0.00 44.72 47.21 2kco s GLY 18 CO 0.08 3.89 1.31 -1.59 0.00 0.00 0.00 173.10 176.79 2kco s LYS 19 N 2.92 3.42 -0.12 2.90 0.00 -1.26 -5.04 119.74 122.56 2kco s LYS 19 Ca 0.16 2.13 -0.30 0.00 0.00 0.00 0.00 55.97 57.96 2kco s LYS 19 Cb -0.07 -2.38 0.12 0.00 0.00 0.00 0.00 37.83 35.51 2kco s LYS 19 CO -0.20 -0.93 1.00 -3.38 0.00 0.00 0.00 175.35 171.83 2kco s HIS 20 N -1.35 -0.33 -0.92 1.78 -3.43 -1.26 -5.08 115.29 104.69 2kco s HIS 20 Ca 0.67 0.44 -0.24 0.00 -0.80 0.00 0.00 55.06 55.14 2kco s HIS 20 Cb -0.37 0.48 0.00 0.00 -1.43 0.00 0.00 32.58 31.26 2kco s HIS 20 CO 0.45 -0.38 1.68 0.50 -2.00 0.00 0.00 174.74 174.99 2kco s ARG 21 N -1.79 3.06 0.05 -0.38 6.06 -1.26 -4.96 118.95 119.72 2kco s ARG 21 Ca 0.02 -0.59 -0.31 0.00 -2.50 0.00 0.00 55.73 52.35 2kco s ARG 21 Cb -0.01 -5.08 -0.07 0.00 0.06 0.00 0.00 34.95 29.85 2kco s ARG 21 CO -0.02 -2.73 1.49 0.34 -2.50 0.00 0.00 175.30 171.88 2kco s ASP 22 N 6.40 6.75 0.96 -2.12 -1.08 -1.26 -5.01 116.67 121.31 2kco s ASP 22 Ca 0.57 2.30 -0.12 0.00 -0.52 0.00 0.00 52.55 54.79 2kco s ASP 22 Cb -0.04 -2.57 0.17 0.00 -1.46 0.00 0.00 42.92 39.02 2kco s ASP 22 CO -0.02 -0.77 1.01 0.29 0.52 0.00 0.00 175.17 176.20 2kco n LYS 23 N 5.12 -0.90 -2.71 4.34 4.01 -1.26 -4.98 118.16 121.79 2kco n LYS 23 Ca 0.14 -1.67 -0.42 0.00 -0.51 0.00 0.00 58.31 55.85 2kco n LYS 23 Cb 0.42 -1.01 -0.03 0.00 -0.51 0.00 0.00 35.03 33.90 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 -5.19 3.43 0.00 1.97 1.81 -1.26 -4.90 118.95 114.81 2kco s ARG 24 Ca 0.58 -1.06 0.00 0.00 -1.72 0.00 0.00 55.73 53.53 2kco s ARG 24 Cb -0.02 -4.81 0.00 0.00 -0.45 0.00 0.00 34.95 29.67 2kco s ARG 24 CO 0.41 -2.01 0.00 1.63 -0.68 0.00 0.00 175.30 174.64 2kco n LYS 25 N 8.17 0.00 -3.64 3.54 4.01 -1.26 -5.11 118.16 123.86 2kco n LYS 25 Ca 0.18 0.00 -0.02 0.00 -0.51 0.00 0.00 58.31 57.96 2kco n LYS 25 Cb 0.49 -0.29 -0.04 0.00 -0.51 0.00 0.00 35.03 34.68 2kco n LYS 25 CO 0.00 0.00 0.00 1.52 -1.11 0.00 0.00 177.40 177.81 2kco s TYR 26 N 0.00 -0.03 -0.14 2.13 1.13 -1.26 -5.16 117.35 114.01 2kco s TYR 26 Ca 0.00 0.05 -0.13 0.00 -1.41 0.00 0.00 57.07 55.58 2kco s TYR 26 Cb 0.00 0.50 -0.05 0.00 -1.10 0.00 0.00 41.96 41.31 2kco s TYR 26 CO 0.00 -0.03 0.29 -1.21 -2.51 0.00 0.00 175.55 172.08 2kco s GLU 27 N -1.14 4.15 -0.87 -3.49 8.01 -1.26 -5.05 118.70 119.05 2kco s GLU 27 Ca 0.09 0.10 -0.19 0.00 0.01 0.00 0.00 54.97 54.98 2kco s GLU 27 Cb -0.01 -3.38 0.12 0.00 -4.31 0.00 0.00 34.13 26.55 2kco s GLU 27 CO -0.07 0.34 1.06 0.42 0.01 0.00 0.00 175.26 177.01 2kco s ILE 28 N 0.17 4.72 0.00 -1.63 1.01 -1.26 -4.75 121.20 119.45 2kco s ILE 28 Ca 0.17 -1.41 0.01 0.00 0.00 0.00 0.00 60.65 59.42 2kco s ILE 28 Cb -0.13 -4.74 0.02 0.00 0.01 0.00 0.00 42.46 37.63 2kco s ILE 28 CO 0.05 -1.46 0.90 0.61 0.00 0.00 0.00 174.94 175.04 2kco n GLY 29 N 5.39 0.63 3.56 6.18 0.00 -1.26 -5.05 105.19 114.64 2kco n GLY 29 Ca 0.18 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.84 6.47 -0.02 1.61 0.01 -1.26 -5.07 114.94 115.84 2kco s ASN 30 Ca 0.02 0.09 -0.21 0.00 -0.71 0.00 0.00 52.86 52.05 2kco s ASN 30 Cb 0.02 -2.39 -0.05 0.00 0.41 0.00 0.00 41.25 39.24 2kco s ASN 30 CO -0.01 -0.85 0.60 -2.16 -1.51 0.00 0.00 177.10 173.17 2kco s PRO 31 N 3.25 4.33 0.23 -0.60 0.04 -1.26 -5.07 135.00 135.92 2kco s PRO 31 Ca 0.31 0.74 -0.30 0.00 0.04 0.00 0.00 61.00 61.79 2kco s PRO 31 Cb -0.12 -3.36 -0.10 0.00 0.04 0.00 0.00 34.50 30.96 2kco s PRO 31 CO 0.21 0.32 1.41 -1.25 0.04 0.00 0.00 177.00 177.73 2kco s PRO 32 N -0.03 4.30 0.71 0.56 0.04 -1.26 -5.04 135.00 134.27 2kco s PRO 32 Ca 0.32 2.24 -0.08 0.00 0.04 0.00 0.00 61.00 63.51 2kco s PRO 32 Cb -0.18 -3.13 0.16 0.00 0.04 0.00 0.00 34.50 31.38 2kco s PRO 32 CO 0.17 -0.38 0.97 -2.37 0.04 0.00 0.00 177.00 175.43 2kco n THR 33 N 2.47 0.00 -1.69 1.26 5.66 -1.26 -5.01 114.28 115.72 2kco n THR 33 Ca 0.07 -0.99 -0.43 0.00 -3.05 0.00 0.00 64.05 59.65 2kco n THR 33 Cb 0.41 -1.35 -0.03 0.00 -1.55 0.00 0.00 70.33 67.81 2kco n THR 33 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 2kco n PHE 34 N -3.12 2.59 -4.49 1.09 3.72 -1.26 -5.01 117.46 110.98 2kco n PHE 34 Ca 0.13 -0.17 -0.31 0.00 -0.05 0.00 0.00 57.45 57.06 2kco n PHE 34 Cb 0.47 -2.74 -0.11 0.00 -0.94 0.00 0.00 39.48 36.17 2kco n PHE 34 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2kco s THR 35 N 2.98 3.27 0.83 4.37 -4.23 -1.26 -5.14 115.64 116.45 2kco s THR 35 Ca 0.83 -1.02 -0.12 0.00 -1.18 0.00 0.00 61.69 60.20 2kco s THR 35 Cb -0.49 -2.43 0.09 0.00 1.34 0.00 0.00 72.50 71.01 2kco s THR 35 CO 0.38 0.32 1.15 0.42 -0.54 0.00 0.00 174.62 176.36 2kco s THR 36 N -1.01 2.24 0.41 3.99 -4.23 -1.26 -5.12 115.64 110.66 2kco s THR 36 Ca 0.17 0.08 0.04 0.00 -1.18 0.00 0.00 61.69 60.80 2kco s THR 36 Cb -0.11 -2.98 -0.03 0.00 1.34 0.00 0.00 72.50 70.72 2kco s THR 36 CO 0.08 -0.10 0.12 -1.48 -0.54 0.00 0.00 174.62 172.70 2kco s LEU 37 N -5.71 2.01 -0.28 4.79 -0.00 -1.26 -5.08 118.68 113.15 2kco s LEU 37 Ca 0.62 -1.66 0.10 0.00 -0.00 0.00 0.00 54.13 53.19 2kco s LEU 37 Cb -0.12 -0.13 0.47 0.00 -0.00 0.00 0.00 46.19 46.40 2kco s LEU 37 CO 0.51 -0.91 1.18 -1.54 -0.00 0.00 0.00 176.35 175.58 2kco n SER 38 N -1.27 4.34 0.15 1.48 3.41 -1.26 -4.84 113.62 115.64 2kco n SER 38 Ca -0.06 -3.47 0.13 0.00 -0.26 0.00 0.00 58.87 55.21 2kco n SER 38 Cb 0.65 -0.36 0.52 0.00 -0.26 0.00 0.00 64.21 64.76 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 2.23 1.00 -0.02 7.33 0.00 -2.02 -2.65 119.26 125.14 2kco h ALA 39 Ca 0.28 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 2kco h ALA 39 Cb 1.49 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 2kco h ALA 39 CO 0.66 0.00 -0.28 0.93 0.00 0.00 0.00 179.25 180.56 2kco h GLU 40 N 0.00 0.03 0.00 0.00 3.07 -2.00 -1.37 114.58 114.31 2kco h GLU 40 Ca 0.00 -0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 58.78 2kco h GLU 40 Cb 0.36 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 2kco h GLU 40 CO 0.00 0.31 -0.34 0.22 -1.40 0.00 0.00 179.01 177.80 2kco h ASP 41 N 0.03 0.00 -0.45 1.42 3.58 -1.89 -1.62 116.42 117.49 2kco h ASP 41 Ca 0.00 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.34 2kco h ASP 41 Cb 0.51 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 2kco h ASP 41 CO 0.04 0.34 -0.17 0.40 -2.88 0.00 0.00 179.24 176.97 2kco h ILE 42 N 0.00 1.27 0.00 2.25 2.04 -1.40 -1.75 117.51 119.92 2kco h ILE 42 Ca -0.00 -1.32 -0.05 0.00 1.00 0.00 0.00 64.86 64.49 2kco h ILE 42 Cb 0.66 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 2kco h ILE 42 CO 0.04 0.45 -0.25 0.03 0.00 0.00 0.00 178.15 178.43 2kco h ARG 43 N 0.74 0.00 -0.01 2.37 -0.00 -1.25 -2.54 114.38 113.69 2kco h ARG 43 Ca 0.10 0.00 -0.18 0.00 -0.50 0.00 0.00 59.98 59.41 2kco h ARG 43 Cb 0.74 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.69 2kco h ARG 43 CO 0.06 0.25 -0.80 0.82 0.00 0.00 0.00 179.97 180.30 2kco h ILE 44 N 0.00 1.49 -0.03 2.04 5.03 -1.04 0.36 117.51 125.35 2kco h ILE 44 Ca -0.00 -2.49 -0.08 0.00 -0.12 0.00 0.00 64.86 62.16 2kco h ILE 44 Cb 0.58 2.36 -0.01 0.00 -3.03 0.00 0.00 36.82 36.72 2kco h ILE 44 CO 0.03 0.72 -0.36 0.11 -0.68 0.00 0.00 178.15 177.98 2kco h LYS 45 N 0.10 0.06 0.02 2.37 1.57 -0.92 -2.69 116.57 117.07 2kco h LYS 45 Ca -0.03 -0.02 -0.22 0.00 -1.87 0.00 0.00 60.65 58.51 2kco h LYS 45 Cb 1.39 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.67 2kco h LYS 45 CO 0.12 0.41 -1.02 0.22 -0.57 0.00 0.00 179.45 178.61 2kco h ASP 46 N 0.05 0.08 -0.32 0.86 3.58 -1.24 -3.17 116.42 116.26 2kco h ASP 46 Ca 0.00 -0.08 -0.15 0.00 0.42 0.00 0.00 57.03 57.22 2kco h ASP 46 Cb 0.66 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.67 2kco h ASP 46 CO 0.05 1.04 -0.36 0.08 -2.88 0.00 0.00 179.24 177.17 2kco h ARG 47 N 0.02 0.87 0.00 0.28 0.11 -0.62 -2.93 114.38 112.10 2kco h ARG 47 Ca -0.03 -0.44 -0.02 0.00 0.10 0.00 0.00 59.98 59.59 2kco h ARG 47 Cb 1.76 0.01 -0.00 0.00 1.11 0.00 0.00 29.97 32.85 2kco h ARG 47 CO 0.14 1.08 -0.11 0.00 0.10 0.00 0.00 179.97 181.18 2kco h THR 48 N 0.71 0.21 -0.97 0.08 1.03 -1.62 -3.39 112.91 108.97 2kco h THR 48 Ca 0.06 -1.20 -0.50 0.00 -0.01 0.00 0.00 66.41 64.77 2kco h THR 48 Cb 0.93 2.01 -0.08 0.00 -1.07 0.00 0.00 68.15 69.95 2kco h THR 48 CO 0.09 0.11 1.28 -0.22 -0.01 0.00 0.00 175.52 176.77 2kco s LEU 49 N -6.29 3.40 0.00 0.00 0.20 -1.11 -4.35 118.68 110.54 2kco s LEU 49 Ca 0.05 -1.25 0.00 0.00 0.69 0.00 0.00 54.13 53.63 2kco s LEU 49 Cb 0.06 -2.57 0.00 0.00 -0.43 0.00 0.00 46.19 43.26 2kco s LEU 49 CO 0.67 -1.91 0.00 0.61 -0.29 0.00 0.00 176.35 175.42 2kco n GLY 50 N 6.81 0.00 2.97 7.98 0.00 -1.26 -4.93 105.19 116.75 2kco n GLY 50 Ca 0.36 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.59 -0.11 -0.02 0.00 -1.26 -5.14 107.32 100.20 2kco s GLY 51 Ca 0.00 -0.43 -0.30 0.00 0.00 0.00 0.00 44.72 43.99 2kco s GLY 51 CO 0.00 3.16 1.03 0.54 0.00 0.00 0.00 173.10 177.84 2kco s ASN 52 N 1.62 7.21 -0.27 1.64 4.22 -1.26 -4.99 114.94 123.11 2kco s ASN 52 Ca 0.16 1.55 -0.29 0.00 -2.14 0.00 0.00 52.86 52.15 2kco s ASN 52 Cb -0.10 -2.56 -0.03 0.00 1.28 0.00 0.00 41.25 39.85 2kco s ASN 52 CO -0.05 -0.48 1.80 -0.36 -2.04 0.00 0.00 177.10 175.97 2kco s PHE 53 N 2.13 1.80 -0.00 1.54 0.08 -1.26 -4.93 117.98 117.33 2kco s PHE 53 Ca 0.49 0.55 -0.30 0.00 0.12 0.00 0.00 56.93 57.79 2kco s PHE 53 Cb -0.19 -4.08 -0.07 0.00 -0.57 0.00 0.00 43.02 38.11 2kco s PHE 53 CO 0.18 -3.18 1.82 0.15 -0.10 0.00 0.00 175.22 174.09 2kco s LYS 54 N 5.42 4.16 0.86 0.44 -0.14 -1.26 -4.97 119.74 124.26 2kco s LYS 54 Ca 0.80 2.42 -0.11 0.00 -1.36 0.00 0.00 55.97 57.73 2kco s LYS 54 Cb -0.25 -4.08 0.11 0.00 -1.68 0.00 0.00 37.83 31.94 2kco s LYS 54 CO 0.33 -0.90 1.11 0.14 -0.76 0.00 0.00 175.35 175.27 2kco s VAL 55 N 4.25 2.66 -0.11 3.17 -7.23 -1.26 -5.04 120.40 116.83 2kco s VAL 55 Ca 0.81 0.21 -0.03 0.00 -1.81 0.00 0.00 61.98 61.17 2kco s VAL 55 Cb -0.38 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.04 2kco s VAL 55 CO 0.36 -0.28 -0.00 -0.60 -0.31 0.00 0.00 175.10 174.27 2kco s ARG 56 N -4.78 3.20 -0.39 4.82 3.52 -1.26 -5.09 118.95 118.98 2kco s ARG 56 Ca 0.64 -0.43 -0.06 0.00 -0.13 0.00 0.00 55.73 55.76 2kco s ARG 56 Cb -0.20 -2.85 0.08 0.00 -1.56 0.00 0.00 34.95 30.42 2kco s ARG 56 CO 0.57 0.57 0.19 -1.17 -0.81 0.00 0.00 175.30 174.65 2kco s LEU 57 N -0.52 4.92 -0.40 -0.88 0.20 -1.26 -5.07 118.68 115.67 2kco s LEU 57 Ca 0.09 -1.62 -0.09 0.00 0.69 0.00 0.00 54.13 53.20 2kco s LEU 57 Cb -0.12 -1.88 0.07 0.00 -0.43 0.00 0.00 46.19 43.83 2kco s LEU 57 CO 0.02 -0.48 0.23 -0.75 -0.29 0.00 0.00 176.35 175.08 2kco s LYS 58 N 1.29 2.62 -0.34 1.98 2.20 -1.26 -5.06 119.74 121.17 2kco s LYS 58 Ca 0.03 -1.39 -0.29 0.00 -0.36 0.00 0.00 55.97 53.97 2kco s LYS 58 Cb -0.22 -3.73 -0.01 0.00 -1.51 0.00 0.00 37.83 32.36 2kco s LYS 58 CO -0.01 -0.89 1.66 -0.47 -0.36 0.00 0.00 175.35 175.29 2kco s TYR 59 N 1.43 2.02 0.61 4.03 5.04 -1.26 -5.00 117.35 124.22 2kco s TYR 59 Ca 0.02 0.62 -0.13 0.00 -2.44 0.00 0.00 57.07 55.15 2kco s TYR 59 Cb -0.22 -4.16 -0.03 0.00 0.35 0.00 0.00 41.96 37.89 2kco s TYR 59 CO 0.03 -2.68 1.03 0.95 -1.34 0.00 0.00 175.55 173.54 2kco s THR 60 N 6.22 4.34 0.54 4.34 -4.23 -1.26 -5.01 115.64 120.57 2kco s THR 60 Ca 0.73 0.89 -0.22 0.00 -1.18 0.00 0.00 61.69 61.91 2kco s THR 60 Cb -0.20 -3.63 -0.05 0.00 1.34 0.00 0.00 72.50 69.96 2kco s THR 60 CO 0.33 -0.87 1.31 0.41 -0.54 0.00 0.00 174.62 175.26 2kco n THR 61 N -2.49 3.73 -4.31 3.99 -1.04 -1.26 -4.93 114.28 107.97 2kco n THR 61 Ca 0.07 -0.50 -0.22 0.00 -2.04 0.00 0.00 64.05 61.36 2kco n THR 61 Cb 0.54 -1.59 -0.12 0.00 -1.82 0.00 0.00 70.33 67.34 2kco n THR 61 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2kco s THR 62 N -1.30 1.74 0.15 12.58 2.01 -1.25 -3.08 115.64 126.49 2kco s THR 62 Ca 0.71 -1.77 0.09 0.00 0.31 0.00 0.00 61.69 61.03 2kco s THR 62 Cb -0.43 -1.72 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 2kco s THR 62 CO 0.50 -0.24 -0.14 0.00 -0.69 0.00 0.00 174.62 174.05 2kco s ALA 63 N -1.75 2.82 -0.51 7.40 0.00 -0.32 -2.35 121.76 127.06 2kco s ALA 63 Ca 0.12 -1.42 0.04 0.00 0.00 0.00 0.00 51.96 50.69 2kco s ALA 63 Cb -0.07 -0.69 0.13 0.00 0.00 0.00 0.00 23.12 22.49 2kco s ALA 63 CO 0.06 0.52 0.26 1.21 0.00 0.00 0.00 175.76 177.81 2kco s ASN 64 N -2.52 4.19 -0.28 0.00 3.84 -0.72 -0.97 114.94 118.47 2kco s ASN 64 Ca 0.22 -2.96 -0.29 0.00 0.21 0.00 0.00 52.86 50.03 2kco s ASN 64 Cb -0.10 -1.52 0.01 0.00 -0.55 0.00 0.00 41.25 39.10 2kco s ASN 64 CO 0.13 -0.23 1.14 0.68 -2.79 0.00 0.00 177.10 176.03 2kco s VAL 65 N -0.20 4.43 0.05 -5.21 -7.23 0.58 -0.74 120.40 112.07 2kco s VAL 65 Ca 0.17 1.66 -0.30 0.00 -1.81 0.00 0.00 61.98 61.70 2kco s VAL 65 Cb -0.25 -4.29 -0.08 0.00 0.56 0.00 0.00 36.38 32.31 2kco s VAL 65 CO -0.00 -0.39 1.78 -0.22 -0.31 0.00 0.00 175.10 175.95 2kco s LEU 66 N 3.72 4.38 -0.39 1.32 1.98 -0.12 0.97 118.68 130.55 2kco s LEU 66 Ca 0.49 2.54 -0.18 0.00 -2.89 0.00 0.00 54.13 54.09 2kco s LEU 66 Cb -0.15 -3.55 0.01 0.00 0.66 0.00 0.00 46.19 43.16 2kco s LEU 66 CO 0.15 -0.97 0.51 -0.62 -1.89 0.00 0.00 176.35 173.54 2kco s ASP 67 N 3.24 6.28 0.53 3.68 2.15 -0.45 -2.07 116.67 130.04 2kco s ASP 67 Ca 0.79 -0.28 0.20 0.00 0.43 0.00 0.00 52.55 53.69 2kco s ASP 67 Cb -0.41 -2.26 1.38 0.00 -0.30 0.00 0.00 42.92 41.34 2kco s ASP 67 CO 0.35 -0.56 2.15 1.55 -0.17 0.00 0.00 175.17 178.49 2kco h PRO 68 N 8.62 0.00 -0.24 4.34 0.13 -1.88 0.25 132.00 143.23 2kco h PRO 68 Ca -0.27 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.84 2kco h PRO 68 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2kco h PRO 68 CO 0.80 0.03 0.06 0.00 -0.23 0.00 0.00 178.00 178.66 2kco h ALA 69 N 1.97 0.31 0.00 -0.56 0.00 -1.93 -3.14 119.26 115.91 2kco h ALA 69 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2kco h ALA 69 Cb 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2kco h ALA 69 CO 0.00 -0.04 -1.04 0.25 0.00 0.00 0.00 179.25 178.42 2kco n THR 70 N -4.74 0.01 -3.29 0.00 -2.24 -1.17 -5.00 114.28 97.86 2kco n THR 70 Ca -0.03 -0.06 -0.23 0.00 -2.27 0.00 0.00 64.05 61.45 2kco n THR 70 Cb 0.17 0.77 0.05 0.00 -2.10 0.00 0.00 70.33 69.22 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 -1.60 -6.18 -4.01 3.42 4.05 0.86 -5.02 115.26 106.78 2kco n ASN 71 Ca 0.03 -0.41 -0.15 0.00 0.45 0.00 0.00 54.58 54.50 2kco n ASN 71 Cb 0.36 -4.94 -0.13 0.00 1.23 0.00 0.00 39.78 36.30 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 -3.24 0.51 0.47 -0.44 -4.23 -1.12 -4.93 115.64 102.66 2kco s THR 72 Ca 0.43 -0.58 -0.12 0.00 -1.18 0.00 0.00 61.69 60.25 2kco s THR 72 Cb -0.19 -0.49 -0.06 0.00 1.34 0.00 0.00 72.50 73.09 2kco s THR 72 CO 0.54 -0.06 0.86 0.00 -0.54 0.00 0.00 174.62 175.42 2kco s ALA 73 N -0.61 3.24 -0.14 3.99 0.00 -1.26 -1.33 121.76 125.65 2kco s ALA 73 Ca -0.02 -0.10 -0.05 0.00 0.00 0.00 0.00 51.96 51.78 2kco s ALA 73 Cb -0.05 -2.86 0.06 0.00 0.00 0.00 0.00 23.12 20.28 2kco s ALA 73 CO 0.00 -0.18 0.29 0.21 0.00 0.00 0.00 175.76 176.08 2kco s LYS 74 N -4.15 0.19 -0.45 0.00 2.20 0.27 -4.90 119.74 112.91 2kco s LYS 74 Ca 0.54 0.75 -0.13 0.00 -0.36 0.00 0.00 55.97 56.77 2kco s LYS 74 Cb -0.10 0.00 0.08 0.00 -1.51 0.00 0.00 37.83 36.30 2kco s LYS 74 CO 0.35 -0.25 0.34 0.21 -0.36 0.00 0.00 175.35 175.64 2kco s LYS 75 N 2.19 2.82 0.07 4.03 2.20 -1.26 -0.31 119.74 129.49 2kco s LYS 75 Ca -0.02 -1.42 0.06 0.00 -0.36 0.00 0.00 55.97 54.24 2kco s LYS 75 Cb -0.12 -3.99 -0.03 0.00 -1.51 0.00 0.00 37.83 32.18 2kco s LYS 75 CO -0.09 -1.01 -0.17 0.14 -0.36 0.00 0.00 175.35 173.85 2kco s VAL 76 N 1.55 1.38 0.54 4.02 -7.23 -0.14 -4.97 120.40 115.54 2kco s VAL 76 Ca 0.04 -1.32 -0.20 0.00 -1.81 0.00 0.00 61.98 58.69 2kco s VAL 76 Cb -0.24 -1.27 -0.05 0.00 0.56 0.00 0.00 36.38 35.38 2kco s VAL 76 CO 0.05 -0.07 1.19 -0.75 -0.31 0.00 0.00 175.10 175.20 2kco s LYS 77 N -1.62 3.30 -0.18 4.82 2.36 -1.26 -1.17 119.74 126.00 2kco s LYS 77 Ca 0.03 1.80 -0.27 0.00 -2.55 0.00 0.00 55.97 54.98 2kco s LYS 77 Cb -0.09 -2.11 -0.01 0.00 -1.05 0.00 0.00 37.83 34.57 2kco s LYS 77 CO 0.03 -0.93 0.90 0.42 1.55 0.00 0.00 175.35 177.31 2kco s ILE 78 N -1.60 4.82 0.00 5.43 1.01 -1.18 -3.39 121.20 126.30 2kco s ILE 78 Ca 0.72 1.76 0.00 0.00 0.00 0.00 0.00 60.65 63.13 2kco s ILE 78 Cb -0.29 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 37.98 2kco s ILE 78 CO 0.33 -0.03 0.00 0.18 0.00 0.00 0.00 174.94 175.42 2kco n LEU 79 N 5.51 0.66 -3.62 2.97 4.77 -0.50 -5.00 117.00 121.79 2kco n LEU 79 Ca 0.07 0.14 -0.15 0.00 -0.03 0.00 0.00 56.01 56.03 2kco n LEU 79 Cb 0.48 -0.28 -0.07 0.00 -2.33 0.00 0.00 43.42 41.22 2kco n LEU 79 CO 0.49 -0.28 0.34 -1.83 -1.33 0.00 0.00 177.39 174.79 2kco s GLU 80 N -0.56 0.85 -0.01 3.23 -1.05 -1.15 -4.98 118.70 115.03 2kco s GLU 80 Ca 0.00 0.56 -0.17 0.00 -0.15 0.00 0.00 54.97 55.21 2kco s GLU 80 Cb 0.00 0.41 -0.06 0.00 -0.44 0.00 0.00 34.13 34.04 2kco s GLU 80 CO 0.00 -0.18 0.47 0.96 0.95 0.00 0.00 175.26 177.45 2kco s ILE 81 N -0.37 5.00 -0.20 1.83 -0.00 -1.26 -0.19 121.20 126.01 2kco s ILE 81 Ca -0.05 0.96 -0.16 0.00 -0.00 0.00 0.00 60.65 61.40 2kco s ILE 81 Cb -0.03 -3.79 -0.12 0.00 -0.00 0.00 0.00 42.46 38.53 2kco s ILE 81 CO 0.04 0.51 -0.08 0.18 -0.00 0.00 0.00 174.94 175.59 2kco n LEU 82 N 2.27 1.88 -4.58 0.37 7.99 -0.41 -4.77 117.00 119.75 2kco n LEU 82 Ca -0.11 0.45 -0.43 0.00 -0.01 0.00 0.00 56.01 55.91 2kco n LEU 82 Cb 0.52 -0.88 -0.03 0.00 -0.11 0.00 0.00 43.42 42.92 2kco n LEU 82 CO 0.40 0.07 0.96 -0.70 -1.51 0.00 0.00 177.39 176.61 2kco s GLU 83 N -2.43 3.60 -0.16 3.23 2.56 -1.23 -4.99 118.70 119.27 2kco s GLU 83 Ca -0.27 0.33 -0.29 0.00 0.00 0.00 0.00 54.97 54.74 2kco s GLU 83 Cb 0.07 -3.95 -0.01 0.00 2.00 0.00 0.00 34.13 32.23 2kco s GLU 83 CO 0.45 -1.44 1.22 0.95 -0.56 0.00 0.00 175.26 175.89 2kco s THR 84 N 4.40 4.34 0.81 -1.70 -4.23 -1.26 -4.18 115.64 113.82 2kco s THR 84 Ca 0.43 1.63 -0.12 0.00 -1.18 0.00 0.00 61.69 62.45 2kco s THR 84 Cb -0.08 -4.05 0.08 0.00 1.34 0.00 0.00 72.50 69.79 2kco s THR 84 CO 0.28 -0.13 1.10 -2.16 -0.54 0.00 0.00 174.62 173.17 2kco s PRO 85 N 3.32 1.98 0.50 3.99 0.04 -1.26 -4.96 135.00 138.60 2kco s PRO 85 Ca 0.53 0.62 0.25 0.00 0.04 0.00 0.00 61.00 62.44 2kco s PRO 85 Cb -0.21 -1.91 1.31 0.00 0.04 0.00 0.00 34.50 33.73 2kco s PRO 85 CO 0.14 -1.69 2.03 0.00 0.04 0.00 0.00 177.00 177.52 2kco h ALA 86 N -1.14 1.32 -0.83 8.56 0.00 -2.02 -2.60 119.26 122.55 2kco h ALA 86 Ca -0.47 -0.14 -0.70 0.00 0.00 0.00 0.00 54.91 53.60 2kco h ALA 86 Cb 1.27 -0.02 -0.21 0.00 0.00 0.00 0.00 17.79 18.83 2kco h ALA 86 CO 0.59 0.19 1.22 0.27 0.00 0.00 0.00 179.25 181.52 2kco n ASN 87 N -3.74 7.33 -0.29 0.00 6.94 -1.26 -4.80 115.26 119.45 2kco n ASN 87 Ca -0.02 -3.45 0.05 0.00 -0.02 0.00 0.00 54.58 51.15 2kco n ASN 87 Cb 0.26 -1.21 0.20 0.00 -2.36 0.00 0.00 39.78 36.67 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 3.69 0.68 -0.18 -3.83 -0.00 -1.84 -2.63 116.57 112.46 2kco h LYS 88 Ca 0.55 -0.04 0.05 0.00 -0.00 0.00 0.00 60.65 61.21 2kco h LYS 88 Cb 0.36 -0.15 -0.01 0.00 -0.00 0.00 0.00 32.23 32.43 2kco h LYS 88 CO 1.23 0.45 0.14 1.05 -0.00 0.00 0.00 179.45 182.32 2kco h GLU 89 N 0.70 0.00 0.09 0.07 4.11 -1.89 -1.28 114.58 116.38 2kco h GLU 89 Ca 0.43 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.86 2kco h GLU 89 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2kco h GLU 89 CO -0.31 0.00 -0.04 -0.07 0.07 0.00 0.00 179.01 178.66 2kco h LEU 90 N 0.00 -0.10 -2.19 3.06 -0.00 -1.72 -3.28 115.31 111.08 2kco h LEU 90 Ca 0.09 -0.50 0.05 0.00 -0.00 0.00 0.00 57.88 57.51 2kco h LEU 90 Cb 0.37 0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.05 2kco h LEU 90 CO -0.00 0.55 0.15 0.00 -0.00 0.00 0.00 178.44 179.14 2kco h ALA 91 N -0.15 1.89 -0.28 1.53 0.00 -0.66 0.42 119.26 122.01 2kco h ALA 91 Ca -0.01 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 2kco h ALA 91 Cb 0.59 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2kco h ALA 91 CO 0.02 -0.23 -0.39 0.00 0.00 0.00 0.00 179.25 178.65 2kco h ARG 92 N 0.00 0.66 0.00 0.00 3.08 -1.42 -2.40 114.38 114.30 2kco h ARG 92 Ca 0.08 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.80 2kco h ARG 92 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2kco h ARG 92 CO -0.00 0.93 0.00 0.54 -1.07 0.00 0.00 179.97 180.37 2kco n ARG 93 N -4.04 0.45 -0.01 0.04 1.74 -0.19 -4.91 116.66 109.74 2kco n ARG 93 Ca -0.02 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 2kco n ARG 93 Cb 0.52 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 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 1.22 0.30 3.56 -0.13 0.00 -0.64 -4.72 105.19 104.78 2kco n GLY 94 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.10 4.02 0.15 -0.61 -1.09 -0.04 -4.85 121.20 116.68 2kco s ILE 95 Ca 0.00 -1.18 -0.13 0.00 -2.23 0.00 0.00 60.65 57.11 2kco s ILE 95 Cb 0.00 -5.10 -0.07 0.00 -1.58 0.00 0.00 42.46 35.71 2kco s ILE 95 CO 0.00 -1.96 0.53 -0.63 -1.23 0.00 0.00 174.94 171.65 2kco s ILE 96 N 4.64 4.90 0.07 2.92 1.01 -1.26 -2.02 121.20 131.46 2kco s ILE 96 Ca 0.48 0.73 -0.08 0.00 0.00 0.00 0.00 60.65 61.78 2kco s ILE 96 Cb 0.01 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 2kco s ILE 96 CO -0.04 0.21 0.36 -0.51 0.00 0.00 0.00 174.94 174.97 2kco s ILE 97 N -1.49 5.16 -0.12 2.92 2.07 -1.26 -4.34 121.20 124.13 2kco s ILE 97 Ca 0.38 0.33 -0.34 0.00 -1.41 0.00 0.00 60.65 59.61 2kco s ILE 97 Cb -0.14 -3.62 -0.11 0.00 0.13 0.00 0.00 42.46 38.71 2kco s ILE 97 CO 0.19 0.28 1.92 -1.14 -1.91 0.00 0.00 174.94 174.29 2kco n ARG 98 N 0.88 2.08 0.00 3.50 0.63 -1.26 -2.36 116.66 120.14 2kco n ARG 98 Ca -0.08 0.75 0.00 0.00 -0.92 0.00 0.00 57.85 57.59 2kco n ARG 98 Cb 0.52 -2.66 0.00 0.00 0.45 0.00 0.00 32.46 30.78 2kco n ARG 98 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2kco n GLY 99 N 4.63 2.08 3.72 5.14 0.00 0.29 -5.02 105.19 116.05 2kco n GLY 99 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.08 3.27 0.30 4.61 0.00 -0.99 -4.75 121.76 122.11 2kco s ALA 100 Ca 0.00 0.40 -0.27 0.00 0.00 0.00 0.00 51.96 52.09 2kco s ALA 100 Cb 0.00 -3.16 -0.10 0.00 0.00 0.00 0.00 23.12 19.86 2kco s ALA 100 CO 0.00 -0.08 0.95 0.15 0.00 0.00 0.00 175.76 176.78 2kco s LYS 101 N 0.45 4.66 0.08 0.00 3.01 -1.26 -2.34 119.74 124.34 2kco s LYS 101 Ca 0.45 1.40 0.01 0.00 -1.01 0.00 0.00 55.97 56.82 2kco s LYS 101 Cb -0.21 -2.95 -0.04 0.00 -1.01 0.00 0.00 37.83 33.62 2kco s LYS 101 CO 0.25 0.34 -0.06 -1.50 0.51 0.00 0.00 175.35 174.89 2kco s ILE 102 N -1.47 0.57 -0.11 2.17 2.07 -0.14 -1.29 121.20 123.00 2kco s ILE 102 Ca 0.47 -1.81 0.02 0.00 -1.41 0.00 0.00 60.65 57.92 2kco s ILE 102 Cb -0.21 -1.52 -0.01 0.00 0.13 0.00 0.00 42.46 40.85 2kco s ILE 102 CO 0.27 -0.85 -0.17 -0.13 -1.91 0.00 0.00 174.94 172.15 2kco s ARG 103 N -3.59 3.17 0.49 3.50 0.52 0.74 -1.25 118.95 122.52 2kco s ARG 103 Ca 0.08 -0.75 0.02 0.00 -0.52 0.00 0.00 55.73 54.56 2kco s ARG 103 Cb 0.04 -2.49 -0.02 0.00 0.52 0.00 0.00 34.95 33.00 2kco s ARG 103 CO -0.05 0.25 0.01 0.95 0.02 0.00 0.00 175.30 176.48 2kco s THR 104 N 0.22 1.24 0.52 0.02 -4.23 -0.38 -1.41 115.64 111.62 2kco s THR 104 Ca -0.11 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 58.60 2kco s THR 104 Cb -0.16 -2.30 0.28 0.00 1.34 0.00 0.00 72.50 71.66 2kco s THR 104 CO 0.06 0.00 2.15 -0.33 -0.54 0.00 0.00 174.62 175.96 2kco h GLU 105 N 1.45 0.00 0.07 3.99 5.08 -1.86 -3.23 114.58 120.08 2kco h GLU 105 Ca -0.43 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2kco h GLU 105 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 2kco h GLU 105 CO 0.74 0.04 -0.04 0.00 -1.00 0.00 0.00 179.01 178.75 2kco h ALA 106 N 1.96 -0.34 -2.71 3.43 0.00 -1.95 -3.51 119.26 116.14 2kco h ALA 106 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2kco h ALA 106 Cb 0.07 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2kco h ALA 106 CO 0.00 -0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.33 2kco n GLY 107 N 0.98 2.25 3.73 0.00 0.00 -1.22 -5.13 105.19 105.80 2kco n GLY 107 Ca -0.01 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 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 4.40 0.13 0.99 2.96 -1.26 -1.25 118.68 124.64 2kco s LEU 108 Ca 0.00 2.39 0.00 0.00 -0.22 0.00 0.00 54.13 56.31 2kco s LEU 108 Cb 0.00 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.04 2kco s LEU 108 CO 0.00 -0.56 0.01 0.00 -1.32 0.00 0.00 176.35 174.48 2kco s ALA 109 N 0.32 0.97 -0.15 5.97 0.00 -0.38 -1.37 121.76 127.12 2kco s ALA 109 Ca 0.58 -1.45 -0.02 0.00 0.00 0.00 0.00 51.96 51.08 2kco s ALA 109 Cb -0.37 0.56 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 2kco s ALA 109 CO 0.37 -0.38 -0.09 0.54 0.00 0.00 0.00 175.76 176.20 2kco s VAL 110 N -3.84 3.34 -0.17 0.00 0.11 -0.55 -0.97 120.40 118.32 2kco s VAL 110 Ca 0.19 -0.55 -0.29 0.00 -2.93 0.00 0.00 61.98 58.40 2kco s VAL 110 Cb 0.07 -2.44 -0.04 0.00 -1.53 0.00 0.00 36.38 32.45 2kco s VAL 110 CO -0.01 0.50 1.65 0.68 -3.33 0.00 0.00 175.10 174.60 2kco s VAL 111 N 0.50 3.63 -1.20 2.04 -7.23 -0.99 -0.68 120.40 116.47 2kco s VAL 111 Ca -0.07 0.73 0.15 0.00 -1.81 0.00 0.00 61.98 60.98 2kco s VAL 111 Cb -0.15 -3.60 0.45 0.00 0.56 0.00 0.00 36.38 33.64 2kco s VAL 111 CO 0.04 -0.21 1.38 0.35 -0.31 0.00 0.00 175.10 176.34 2kco n THR 112 N 6.21 1.14 -4.11 5.32 -2.24 -0.26 -0.55 114.28 119.79 2kco n THR 112 Ca 0.19 -1.07 -0.13 0.00 -2.27 0.00 0.00 64.05 60.77 2kco n THR 112 Cb 0.45 0.43 -0.06 0.00 -2.10 0.00 0.00 70.33 69.04 2kco n THR 112 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2kco s SER 113 N -1.05 0.49 0.58 3.42 0.01 -0.67 -4.96 113.70 111.52 2kco s SER 113 Ca 0.34 -1.32 -0.04 0.00 1.31 0.00 0.00 55.95 56.24 2kco s SER 113 Cb 0.19 0.56 0.02 0.00 0.21 0.00 0.00 66.02 67.00 2kco s SER 113 CO 0.21 -1.12 0.86 -0.13 0.41 0.00 0.00 173.24 173.48 2kco s ARG 114 N -3.65 2.73 0.06 12.44 0.52 -1.26 -4.01 118.95 125.77 2kco s ARG 114 Ca 0.31 -0.29 -0.30 0.00 -0.52 0.00 0.00 55.73 54.93 2kco s ARG 114 Cb 0.02 -2.34 -0.09 0.00 0.52 0.00 0.00 34.95 33.05 2kco s ARG 114 CO 0.15 -0.73 1.89 -1.25 0.02 0.00 0.00 175.30 175.38 2kco s PRO 115 N -4.92 4.14 1.04 3.54 0.04 -1.26 -4.19 135.00 133.39 2kco s PRO 115 Ca 0.55 2.57 -0.15 0.00 0.04 0.00 0.00 61.00 64.01 2kco s PRO 115 Cb -0.10 -3.96 0.21 0.00 0.04 0.00 0.00 34.50 30.68 2kco s PRO 115 CO 0.42 -0.91 1.13 0.20 0.04 0.00 0.00 177.00 177.89 2kco s GLY 116 N 3.78 1.59 0.60 0.56 0.00 -0.62 -4.87 107.32 108.36 2kco s GLY 116 Ca 0.85 -0.68 0.31 0.00 0.00 0.00 0.00 44.72 45.20 2kco s GLY 116 CO 0.39 0.02 2.18 0.06 0.00 0.00 0.00 173.10 175.75 2kco h GLN 117 N -1.99 0.00 0.00 2.90 -0.00 -1.95 -0.82 115.11 113.24 2kco h GLN 117 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.15 2kco h GLN 117 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.79 2kco h GLN 117 CO 0.50 0.00 0.00 -0.25 -0.00 0.00 0.00 178.83 179.08 2kco n ASP 118 N -3.69 0.00 -1.05 0.06 9.92 -1.26 -4.90 116.55 115.63 2kco n ASP 118 Ca -0.01 -0.35 -0.06 0.00 -0.53 0.00 0.00 54.79 53.84 2kco n ASP 118 Cb 0.21 -0.18 0.01 0.00 -0.64 0.00 0.00 41.12 40.52 2kco n ASP 118 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kco n GLY 119 N 0.75 0.39 3.00 0.44 0.00 -0.31 -5.02 105.19 104.44 2kco n GLY 119 Ca 0.15 -0.52 -0.26 0.00 0.00 0.00 0.00 46.02 45.39 2kco n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kco s VAL 120 N -2.76 1.20 -0.40 1.61 0.11 -1.25 -3.89 120.40 115.02 2kco s VAL 120 Ca 0.09 -0.47 -0.16 0.00 -2.93 0.00 0.00 61.98 58.51 2kco s VAL 120 Cb -0.04 -1.12 0.01 0.00 -1.53 0.00 0.00 36.38 33.70 2kco s VAL 120 CO 0.12 0.38 0.39 -0.63 -3.33 0.00 0.00 175.10 172.03 2kco s ILE 121 N 1.00 5.14 0.20 7.04 1.09 -0.99 -1.59 121.20 133.08 2kco s ILE 121 Ca -0.08 -0.29 -0.30 0.00 -1.10 0.00 0.00 60.65 58.89 2kco s ILE 121 Cb -0.15 -3.96 -0.08 0.00 -1.06 0.00 0.00 42.46 37.21 2kco s ILE 121 CO -0.00 -0.31 1.22 0.20 -0.10 0.00 0.00 174.94 175.94 2kco s ASN 122 N 1.77 7.04 0.28 3.58 -0.87 -1.26 -1.75 114.94 123.73 2kco s ASN 122 Ca 0.11 2.29 0.03 0.00 -1.57 0.00 0.00 52.86 53.72 2kco s ASN 122 Cb -0.17 -2.61 -0.06 0.00 -0.02 0.00 0.00 41.25 38.39 2kco s ASN 122 CO 0.13 -0.40 0.05 0.00 -2.57 0.00 0.00 177.10 174.31 2kco s ALA 123 N -0.13 2.03 -0.12 0.60 0.00 0.08 -1.11 121.76 123.11 2kco s ALA 123 Ca 0.53 -1.92 0.03 0.00 0.00 0.00 0.00 51.96 50.59 2kco s ALA 123 Cb -0.34 0.72 0.01 0.00 0.00 0.00 0.00 23.12 23.51 2kco s ALA 123 CO 0.38 -0.33 -0.21 0.08 0.00 0.00 0.00 175.76 175.68 2kco s VAL 124 N -3.46 1.91 0.33 0.00 1.01 0.15 -0.95 120.40 119.40 2kco s VAL 124 Ca 0.35 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 61.13 2kco s VAL 124 Cb 0.08 -1.69 -0.11 0.00 0.00 0.00 0.00 36.38 34.66 2kco s VAL 124 CO 0.13 0.52 1.42 -0.76 0.00 0.00 0.00 175.10 176.42 2kco s LEU 125 N 0.73 4.37 -0.49 3.92 1.43 -0.88 -1.48 118.68 126.29 2kco s LEU 125 Ca -0.10 2.85 -0.02 0.00 -1.03 0.00 0.00 54.13 55.83 2kco s LEU 125 Cb -0.16 -3.65 0.22 0.00 0.03 0.00 0.00 46.19 42.63 2kco s LEU 125 CO 0.01 -0.73 2.29 0.18 0.23 0.00 0.00 176.35 178.33 2kco n LEU 126 N 1.01 6.81 -4.57 1.79 4.77 -0.47 -4.55 117.00 121.80 2kco n LEU 126 Ca 0.02 -3.92 -0.40 0.00 -0.03 0.00 0.00 56.01 51.68 2kco n LEU 126 Cb 0.40 -1.11 -0.02 0.00 -2.33 0.00 0.00 43.42 40.36 2kco n LEU 126 CO 0.62 1.51 1.67 -0.75 -1.33 0.00 0.00 177.39 179.10 2kco s LYS 127 N -2.39 3.60 -0.04 3.23 2.36 -1.26 -4.83 119.74 120.41 2kco s LYS 127 Ca 0.49 -1.41 -0.31 0.00 -2.55 0.00 0.00 55.97 52.20 2kco s LYS 127 Cb 0.36 -5.40 0.12 0.00 -1.05 0.00 0.00 37.83 31.86 2kco s LYS 127 CO -0.13 -2.42 1.20 0.54 1.55 0.00 0.00 175.35 176.09 2kco s ASN 128 N 5.00 -0.11 -0.26 1.43 2.20 -1.26 -4.76 114.94 117.18 2kco s ASN 128 Ca 0.52 -0.13 0.00 0.00 -0.94 0.00 0.00 52.86 52.31 2kco s ASN 128 Cb 0.01 0.21 0.07 0.00 -2.00 0.00 0.00 41.25 39.55 2kco s ASN 128 CO -0.01 -0.38 -0.00 -0.70 -2.94 0.00 0.00 177.10 173.06 2kco s GLU 129 N -2.58 1.33 -0.60 3.55 2.56 -1.26 -5.03 118.70 116.67 2kco s GLU 129 Ca 0.12 -1.04 0.05 0.00 0.00 0.00 0.00 54.97 54.10 2kco s GLU 129 Cb 0.02 -2.50 0.34 0.00 2.00 0.00 0.00 34.13 33.99 2kco s GLU 129 CO -0.03 -0.71 0.98 -1.13 -0.56 0.00 0.00 175.26 173.80 2kco n SER 130 N 4.70 4.60 -4.70 -1.70 3.41 -1.26 -5.08 113.62 113.59 2kco n SER 130 Ca -0.08 -3.69 -0.42 0.00 -0.26 0.00 0.00 58.87 54.42 2kco n SER 130 Cb 0.44 -0.58 -0.03 0.00 -0.26 0.00 0.00 64.21 63.78 2kco n SER 130 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2kco s GLN 131 N -3.51 4.15 -0.29 4.33 0.74 -1.26 -5.00 119.66 118.82 2kco s GLN 131 Ca 0.49 2.53 -0.12 0.00 0.05 0.00 0.00 55.36 58.31 2kco s GLN 131 Cb 0.28 -3.52 0.12 0.00 1.10 0.00 0.00 33.01 30.99 2kco s GLN 131 CO -0.14 -0.80 0.69 0.50 -0.55 0.00 0.00 175.29 174.99 2kco s ARG 132 N 2.47 0.59 0.00 1.67 3.52 -1.26 -5.35 118.95 120.58 2kco s ARG 132 Ca 0.78 1.33 0.00 0.00 -0.13 0.00 0.00 55.73 57.71 2kco s ARG 132 Cb -0.45 0.64 0.00 0.00 -1.56 0.00 0.00 34.95 33.58 2kco s ARG 132 CO 0.35 -0.18 0.31 0.43 -0.81 0.00 0.00 175.30 175.40