#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kks s ILE 2 N 0.00 1.55 -0.06 1.12 2.07 -1.20 -2.32 121.20 122.36 2kks s ILE 2 Ca 0.00 -0.78 0.03 0.00 -1.41 0.00 0.00 60.65 58.49 2kks s ILE 2 Cb 0.00 -1.33 0.00 0.00 0.13 0.00 0.00 42.46 41.26 2kks s ILE 2 CO 0.00 0.44 -0.16 -0.89 -1.91 0.00 0.00 174.94 172.42 2kks s THR 3 N 0.05 1.42 0.12 4.00 2.01 -0.13 -0.74 115.64 122.36 2kks s THR 3 Ca -0.05 -0.67 -0.01 0.00 0.31 0.00 0.00 61.69 61.27 2kks s THR 3 Cb -0.12 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 2kks s THR 3 CO 0.03 0.41 0.03 -1.48 -0.69 0.00 0.00 174.62 172.92 2kks s LEU 4 N 0.33 2.00 0.46 4.42 0.05 -0.61 -0.47 118.68 124.86 2kks s LEU 4 Ca -0.11 -1.15 0.03 0.00 0.05 0.00 0.00 54.13 52.95 2kks s LEU 4 Cb -0.14 0.22 0.01 0.00 -2.05 0.00 0.00 46.19 44.22 2kks s LEU 4 CO 0.04 -0.67 0.66 0.42 -0.55 0.00 0.00 176.35 176.25 2kks s THR 5 N -3.95 3.45 0.23 5.48 -4.23 -1.26 -0.29 115.64 115.08 2kks s THR 5 Ca 0.20 -0.69 -0.06 0.00 -1.18 0.00 0.00 61.69 59.96 2kks s THR 5 Cb 0.07 -3.25 0.19 0.00 1.34 0.00 0.00 72.50 70.85 2kks s THR 5 CO -0.01 -0.15 1.78 0.50 -0.54 0.00 0.00 174.62 176.20 2kks h LYS 6 N 0.40 0.62 -0.77 3.99 3.64 -1.81 -1.10 116.57 121.53 2kks h LYS 6 Ca -0.44 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.89 2kks h LYS 6 Cb 1.27 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.91 2kks h LYS 6 CO 0.53 0.41 0.41 -0.22 -2.27 0.00 0.00 179.45 178.32 2kks h LYS 7 N 0.64 1.07 -0.42 1.90 3.11 -1.92 0.11 116.57 121.06 2kks h LYS 7 Ca 0.37 -0.12 -0.11 0.00 -2.81 0.00 0.00 60.65 57.97 2kks h LYS 7 Cb 0.39 -0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 31.39 2kks h LYS 7 CO -0.27 0.79 -0.16 1.96 -2.81 0.00 0.00 179.45 178.96 2kks h GLN 8 N 1.08 0.85 -0.46 1.90 1.08 -1.68 0.12 115.11 118.01 2kks h GLN 8 Ca 0.27 -0.35 0.04 0.00 -1.45 0.00 0.00 58.65 57.15 2kks h GLN 8 Cb 0.04 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.40 2kks h GLN 8 CO -0.04 0.99 0.24 1.98 -0.95 0.00 0.00 178.83 181.05 2kks h MET 9 N 0.68 0.46 -0.82 1.46 1.85 -0.56 0.68 114.93 118.66 2kks h MET 9 Ca 0.10 -0.03 0.02 0.00 -0.61 0.00 0.00 59.70 59.18 2kks h MET 9 Cb 0.71 -0.10 -0.04 0.00 0.43 0.00 0.00 31.60 32.59 2kks h MET 9 CO 0.05 0.30 0.54 0.93 -0.40 0.00 0.00 176.91 178.33 2kks h GLU 10 N 0.47 1.05 -0.51 0.39 4.39 -0.57 0.19 114.58 119.99 2kks h GLU 10 Ca 0.20 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.81 2kks h GLU 10 Cb 0.09 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.48 2kks h GLU 10 CO -0.13 0.70 0.21 0.93 -1.16 0.00 0.00 179.01 179.56 2kks h GLU 11 N 1.08 0.76 -0.36 2.33 5.08 0.01 0.12 114.58 123.61 2kks h GLU 11 Ca 0.31 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 2kks h GLU 11 Cb -0.08 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 2kks h GLU 11 CO -0.08 0.66 -0.02 0.52 -1.00 0.00 0.00 179.01 179.09 2kks h MET 12 N 0.68 0.64 -0.68 2.33 2.86 -0.52 -1.74 114.93 118.51 2kks h MET 12 Ca 0.17 -0.21 0.02 0.00 -2.06 0.00 0.00 59.70 57.61 2kks h MET 12 Cb 0.18 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.75 2kks h MET 12 CO -0.02 0.76 0.44 -0.07 1.06 0.00 0.00 176.91 179.09 2kks h LEU 13 N 0.45 0.74 -0.65 1.22 3.38 -0.40 0.80 115.31 120.86 2kks h LEU 13 Ca 0.10 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2kks h LEU 13 Cb 0.49 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2kks h LEU 13 CO 0.02 0.53 0.23 0.00 0.09 0.00 0.00 178.44 179.31 2kks h ALA 14 N 1.26 0.84 -0.35 1.53 0.00 -0.67 -2.52 119.26 119.36 2kks h ALA 14 Ca 0.26 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2kks h ALA 14 Cb -0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2kks h ALA 14 CO -0.07 0.49 -0.15 1.25 0.00 0.00 0.00 179.25 180.77 2kks h HIS 15 N 0.92 0.68 0.28 0.00 -0.00 -0.81 -0.96 115.15 115.27 2kks h HIS 15 Ca 0.21 -0.12 -0.01 0.00 -0.00 0.00 0.00 60.37 60.45 2kks h HIS 15 Cb 0.25 -0.17 0.00 0.00 -0.00 0.00 0.00 27.41 27.49 2kks h HIS 15 CO 0.02 0.74 -0.14 0.00 -0.00 0.00 0.00 177.93 178.55 2kks h ALA 16 N 1.28 -0.38 -0.14 5.26 0.00 -0.48 -1.78 119.26 123.02 2kks h ALA 16 Ca 0.10 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2kks h ALA 16 Cb 0.58 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2kks h ALA 16 CO 0.04 -0.70 -0.41 0.00 0.00 0.00 0.00 179.25 178.17 2kks h ARG 17 N -0.40 0.31 -0.71 0.00 3.08 -1.41 -2.89 114.38 112.36 2kks h ARG 17 Ca -0.04 -0.15 0.09 0.00 0.07 0.00 0.00 59.98 59.96 2kks h ARG 17 Cb 0.31 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.28 2kks h ARG 17 CO 0.06 0.67 0.35 0.37 -1.07 0.00 0.00 179.97 180.36 2kks h GLN 18 N 0.26 0.58 0.00 0.04 4.15 -0.94 -2.67 115.11 116.52 2kks h GLN 18 Ca 0.02 -0.04 -0.11 0.00 0.77 0.00 0.00 58.65 59.30 2kks h GLN 18 Cb 0.84 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.38 2kks h GLN 18 CO 0.07 0.39 -0.53 0.00 -1.93 0.00 0.00 178.83 176.82 2kks h ALA 19 N 1.43 0.74 -2.23 3.38 0.00 -1.12 -3.47 119.26 117.99 2kks h ALA 19 Ca 0.35 -0.49 -0.59 0.00 0.00 0.00 0.00 54.91 54.18 2kks h ALA 19 Cb 0.37 -0.09 0.13 0.00 0.00 0.00 0.00 17.79 18.20 2kks h ALA 19 CO -0.27 0.67 0.07 1.28 0.00 0.00 0.00 179.25 180.99 2kks n LEU 20 N -3.36 1.98 -0.31 0.00 4.77 -1.01 -0.88 117.00 118.19 2kks n LEU 20 Ca 0.01 1.05 0.03 0.00 -0.03 0.00 0.00 56.01 57.07 2kks n LEU 20 Cb 0.69 -1.30 0.07 0.00 -2.33 0.00 0.00 43.42 40.55 2kks n LEU 20 CO 0.40 -1.68 0.56 -0.81 -1.33 0.00 0.00 177.39 174.53 2kks n PRO 21 N 0.36 1.39 -2.16 3.23 -0.04 -1.26 -5.05 135.00 131.47 2kks n PRO 21 Ca 0.10 -0.59 -0.28 0.00 -0.04 0.00 0.00 63.50 62.68 2kks n PRO 21 Cb 0.37 -1.14 0.04 0.00 -0.04 0.00 0.00 33.50 32.73 2kks n PRO 21 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2kks s ASN 22 N -0.98 5.55 0.40 3.54 -0.87 -0.06 -4.77 114.94 117.74 2kks s ASN 22 Ca 0.11 0.92 -0.11 0.00 -1.57 0.00 0.00 52.86 52.20 2kks s ASN 22 Cb 0.06 -1.83 -0.07 0.00 -0.02 0.00 0.00 41.25 39.39 2kks s ASN 22 CO 0.07 -1.18 0.78 -1.83 -2.57 0.00 0.00 177.10 172.37 2kks s GLU 23 N -5.16 3.82 -0.34 -0.60 4.04 -0.89 -4.62 118.70 114.96 2kks s GLU 23 Ca 0.56 0.53 -0.09 0.00 0.04 0.00 0.00 54.97 56.00 2kks s GLU 23 Cb -0.11 -2.38 0.02 0.00 0.02 0.00 0.00 34.13 31.68 2kks s GLU 23 CO 0.48 -0.02 0.15 0.00 -1.84 0.00 0.00 175.26 174.04 2kks s ALA 24 N -2.33 3.20 0.38 -0.84 0.00 -0.76 -4.59 121.76 116.82 2kks s ALA 24 Ca 0.52 -1.59 0.08 0.00 0.00 0.00 0.00 51.96 50.97 2kks s ALA 24 Cb -0.10 -2.41 -0.05 0.00 0.00 0.00 0.00 23.12 20.56 2kks s ALA 24 CO 0.29 -1.17 0.11 0.00 0.00 0.00 0.00 175.76 174.99 2kks n GLY 26 N -1.11 -1.02 3.48 0.00 0.00 -0.45 -3.49 105.19 102.59 2kks n GLY 26 Ca -0.03 -1.08 -0.23 0.00 0.00 0.00 0.00 46.02 44.68 2kks n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kks s LEU 27 N 0.00 2.57 -0.09 0.99 1.43 -0.35 -1.78 118.68 121.44 2kks s LEU 27 Ca 0.00 -1.22 0.04 0.00 -1.03 0.00 0.00 54.13 51.92 2kks s LEU 27 Cb 0.00 -0.75 -0.00 0.00 0.03 0.00 0.00 46.19 45.47 2kks s LEU 27 CO 0.00 -0.33 -0.23 -0.76 0.23 0.00 0.00 176.35 175.26 2kks s LEU 28 N -3.52 2.05 0.16 1.79 1.43 -0.14 -0.45 118.68 120.00 2kks s LEU 28 Ca 0.31 -0.53 0.10 0.00 -1.03 0.00 0.00 54.13 52.98 2kks s LEU 28 Cb 0.04 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.86 2kks s LEU 28 CO 0.14 0.17 -0.22 -0.83 0.23 0.00 0.00 176.35 175.84 2kks s GLY 29 N 0.27 1.49 0.00 -3.19 0.00 -0.22 -1.73 107.32 103.94 2kks s GLY 29 Ca -0.16 -1.49 0.00 0.00 0.00 0.00 0.00 44.72 43.07 2kks s GLY 29 CO 0.08 -1.52 0.00 0.61 0.00 0.00 0.00 173.10 172.27 2kks n GLY 30 N 0.50 -0.54 3.36 0.20 0.00 -1.03 -1.80 105.19 105.89 2kks n GLY 30 Ca -0.15 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 2kks n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kks s ARG 31 N -0.86 2.00 -0.12 1.61 0.52 -0.89 -0.87 118.95 120.33 2kks s ARG 31 Ca 0.00 -1.00 0.01 0.00 -0.52 0.00 0.00 55.73 54.22 2kks s ARG 31 Cb 0.00 -2.07 0.02 0.00 0.52 0.00 0.00 34.95 33.42 2kks s ARG 31 CO 0.00 0.54 -0.13 0.50 0.02 0.00 0.00 175.30 176.23 2kks s ARG 32 N -1.03 2.04 -0.13 3.54 3.52 -1.26 -0.38 118.95 125.24 2kks s ARG 32 Ca 0.12 -0.47 -0.09 0.00 -0.13 0.00 0.00 55.73 55.15 2kks s ARG 32 Cb -0.10 -1.86 0.04 0.00 -1.56 0.00 0.00 34.95 31.47 2kks s ARG 32 CO 0.01 -0.17 0.34 0.34 -0.81 0.00 0.00 175.30 175.01 2kks s ASP 33 N 1.33 -0.38 -1.52 -2.12 2.15 0.20 -4.79 116.67 111.54 2kks s ASP 33 Ca 0.00 0.70 0.00 0.00 0.43 0.00 0.00 52.55 53.68 2kks s ASP 33 Cb -0.14 0.64 0.00 0.00 -0.30 0.00 0.00 42.92 43.13 2kks s ASP 33 CO -0.06 -0.15 0.00 0.61 -0.17 0.00 0.00 175.17 175.40 2kks n GLY 34 N 3.60 0.41 4.19 2.66 0.00 -1.26 -1.77 105.19 113.03 2kks n GLY 34 Ca -0.19 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2kks n GLY 34 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kks n ASP 35 N -0.93 0.00 -4.78 1.61 2.03 -1.26 -4.97 116.55 108.24 2kks n ASP 35 Ca -0.18 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.80 2kks n ASP 35 Cb 0.61 -0.14 0.05 0.00 -0.72 0.00 0.00 41.12 40.92 2kks n ASP 35 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2kks s ASP 36 N -1.17 5.16 -0.04 1.67 1.01 -0.73 -4.83 116.67 117.74 2kks s ASP 36 Ca 0.00 1.89 0.03 0.00 0.71 0.00 0.00 52.55 55.18 2kks s ASP 36 Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.40 2kks s ASP 36 CO 0.00 -1.59 -0.13 -0.13 0.21 0.00 0.00 175.17 173.53 2kks s ARG 37 N -4.35 1.46 -0.23 8.23 3.00 -0.98 -0.63 118.95 125.45 2kks s ARG 37 Ca 0.64 -0.43 0.01 0.00 0.00 0.00 0.00 55.73 55.95 2kks s ARG 37 Cb -0.18 -1.27 0.04 0.00 0.00 0.00 0.00 34.95 33.54 2kks s ARG 37 CO 0.45 0.12 -0.12 -1.58 0.00 0.00 0.00 175.30 174.17 2kks s TRP 38 N 0.32 3.06 -0.57 -0.53 0.51 0.49 -0.96 118.94 121.26 2kks s TRP 38 Ca -0.07 -1.86 -0.26 0.00 -2.12 0.00 0.00 56.10 51.79 2kks s TRP 38 Cb -0.12 -1.98 0.04 0.00 -0.81 0.00 0.00 33.47 30.60 2kks s TRP 38 CO 0.02 -0.81 1.03 0.08 -0.51 0.00 0.00 176.95 176.77 2kks s VAL 39 N 1.24 4.25 -0.71 4.03 1.01 0.38 -2.10 120.40 128.49 2kks s VAL 39 Ca -0.02 0.47 0.19 0.00 0.00 0.00 0.00 61.98 62.62 2kks s VAL 39 Cb -0.17 -4.61 -0.22 0.00 0.00 0.00 0.00 36.38 31.38 2kks s VAL 39 CO -0.07 -1.21 0.72 -0.62 0.00 0.00 0.00 175.10 173.91 2kks n GLU 40 N 7.84 0.79 -3.69 2.72 -0.58 -0.83 -4.06 120.64 122.84 2kks n GLU 40 Ca 0.04 -0.03 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 2kks n GLU 40 Cb 0.48 -1.39 -0.10 0.00 -0.57 0.00 0.00 31.44 29.85 2kks n GLU 40 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 2kks s ARG 41 N -2.87 0.40 0.12 3.49 3.52 -0.74 -5.01 118.95 117.86 2kks s ARG 41 Ca 0.04 0.85 -0.27 0.00 -0.13 0.00 0.00 55.73 56.22 2kks s ARG 41 Cb 0.14 0.03 -0.07 0.00 -1.56 0.00 0.00 34.95 33.49 2kks s ARG 41 CO 0.77 -0.17 0.83 0.08 -0.81 0.00 0.00 175.30 176.00 2kks s VAL 42 N 1.57 4.48 -0.75 7.11 1.01 -1.26 -1.05 120.40 131.50 2kks s VAL 42 Ca -0.09 1.80 -0.04 0.00 0.00 0.00 0.00 61.98 63.65 2kks s VAL 42 Cb -0.09 -4.19 0.19 0.00 0.00 0.00 0.00 36.38 32.29 2kks s VAL 42 CO -0.13 0.43 0.60 -0.31 0.00 0.00 0.00 175.10 175.69 2kks s TYR 43 N -0.57 3.62 -0.66 5.22 1.51 0.40 -4.92 117.35 121.94 2kks s TYR 43 Ca 0.39 -2.73 -0.26 0.00 -1.01 0.00 0.00 57.07 53.46 2kks s TYR 43 Cb -0.23 -3.30 -0.02 0.00 -0.11 0.00 0.00 41.96 38.31 2kks s TYR 43 CO 0.27 -0.83 1.80 -2.14 -1.11 0.00 0.00 175.55 173.54 2kks s PRO 44 N -0.49 2.69 0.05 -1.71 0.02 -1.26 -1.21 135.00 133.09 2kks s PRO 44 Ca 0.21 0.39 0.24 0.00 0.02 0.00 0.00 61.00 61.86 2kks s PRO 44 Cb -0.15 -4.45 0.38 0.00 0.02 0.00 0.00 34.50 30.30 2kks s PRO 44 CO -0.07 -2.73 1.32 1.28 -0.33 0.00 0.00 177.00 176.47 2kks n LEU 45 N 12.46 0.59 -0.75 -5.54 4.77 -1.25 -5.02 117.00 122.26 2kks n LEU 45 Ca 0.21 0.08 0.05 0.00 -0.03 0.00 0.00 56.01 56.32 2kks n LEU 45 Cb 0.51 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 2kks n LEU 45 CO 0.70 0.05 -0.29 -3.20 -1.33 0.00 0.00 177.39 173.31 2kks n ASN 46 N -1.79 -4.06 -4.58 -1.43 5.15 -1.23 -4.75 115.26 102.57 2kks n ASN 46 Ca 0.04 0.83 -0.42 0.00 -0.60 0.00 0.00 54.58 54.43 2kks n ASN 46 Cb 0.39 -2.31 -0.03 0.00 -0.53 0.00 0.00 39.78 37.31 2kks n ASN 46 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2kks s ASN 47 N -5.03 6.01 0.00 1.20 3.84 -1.26 -4.77 114.94 114.93 2kks s ASN 47 Ca 0.00 0.62 0.23 0.00 0.21 0.00 0.00 52.86 53.92 2kks s ASN 47 Cb 0.00 -2.54 1.22 0.00 -0.55 0.00 0.00 41.25 39.38 2kks s ASN 47 CO 0.00 -1.74 1.75 0.18 -2.79 0.00 0.00 177.10 174.50 2kks n LEU 48 N 10.00 0.00 0.00 3.21 7.99 -1.26 -4.78 117.00 132.16 2kks n LEU 48 Ca 0.17 0.20 0.00 0.00 -0.01 0.00 0.00 56.01 56.37 2kks n LEU 48 Cb 0.49 -0.20 0.00 0.00 -0.11 0.00 0.00 43.42 43.60 2kks n LEU 48 CO 0.70 -0.05 0.00 -0.67 -1.51 0.00 0.00 177.39 175.86 2kks n ASP 49 N -1.20 0.00 0.00 -1.43 2.03 -1.26 -4.98 116.55 109.71 2kks n ASP 49 Ca 0.13 -0.40 0.00 0.00 0.52 0.00 0.00 54.79 55.03 2kks n ASP 49 Cb 0.15 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 2kks n ASP 49 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kks n GLN 50 N -0.40 0.94 -2.92 -0.67 6.02 -1.26 -5.04 117.38 114.05 2kks n GLN 50 Ca 0.00 -0.80 -0.36 0.00 -0.01 0.00 0.00 57.00 55.84 2kks n GLN 50 Cb 0.00 -0.77 -0.06 0.00 1.02 0.00 0.00 30.24 30.42 2kks n GLN 50 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2kks s SER 51 N -0.37 7.13 0.02 1.08 0.01 -1.26 -5.00 113.70 115.31 2kks s SER 51 Ca 0.00 1.63 0.11 0.00 1.31 0.00 0.00 55.95 59.00 2kks s SER 51 Cb 0.00 -2.51 -0.22 0.00 0.21 0.00 0.00 66.02 63.50 2kks s SER 51 CO 0.00 -0.10 0.90 1.55 0.41 0.00 0.00 173.24 176.00 2kks h PRO 52 N 2.93 0.00 0.00 12.44 0.14 -1.96 -3.37 132.00 142.18 2kks h PRO 52 Ca -0.48 0.00 -0.09 0.00 0.14 0.00 0.00 66.00 65.57 2kks h PRO 52 Cb 1.19 0.00 -0.02 0.00 0.14 0.00 0.00 31.00 32.31 2kks h PRO 52 CO 0.64 0.68 -1.35 0.39 0.14 0.00 0.00 178.00 178.51 2kks n GLU 53 N -3.16 2.62 -3.28 0.86 1.02 -1.26 -2.09 120.64 115.35 2kks n GLU 53 Ca -0.10 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.72 2kks n GLU 53 Cb 1.01 -1.13 -0.05 0.00 -0.02 0.00 0.00 31.44 31.24 2kks n GLU 53 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2kks s HIS 54 N -2.12 3.41 0.38 -0.32 3.76 -1.26 -4.92 115.29 114.21 2kks s HIS 54 Ca -0.04 1.00 0.08 0.00 -0.15 0.00 0.00 55.06 55.95 2kks s HIS 54 Cb 0.02 -2.36 -0.04 0.00 1.11 0.00 0.00 32.58 31.30 2kks s HIS 54 CO 0.19 0.18 0.22 -0.59 -0.85 0.00 0.00 174.74 173.89 2kks s PHE 55 N -1.92 2.69 0.37 1.40 -0.71 -1.26 -4.41 117.98 114.14 2kks s PHE 55 Ca 0.50 -0.46 0.08 0.00 -1.04 0.00 0.00 56.93 56.00 2kks s PHE 55 Cb -0.11 -1.87 -0.03 0.00 -1.21 0.00 0.00 43.02 39.80 2kks s PHE 55 CO 0.21 0.18 0.25 0.45 -1.34 0.00 0.00 175.22 174.96 2kks s SER 56 N -3.94 4.89 0.00 1.98 0.15 -1.26 -4.94 113.70 110.58 2kks s SER 56 Ca 0.41 -0.75 0.21 0.00 0.70 0.00 0.00 55.95 56.53 2kks s SER 56 Cb -0.01 -0.70 0.57 0.00 -1.71 0.00 0.00 66.02 64.17 2kks s SER 56 CO 0.24 -0.45 1.48 0.80 1.20 0.00 0.00 173.24 176.51 2kks n MET 57 N -1.33 2.53 -3.51 5.44 1.56 -1.26 -4.85 117.12 115.69 2kks n MET 57 Ca -0.01 -2.36 -0.17 0.00 -0.27 0.00 0.00 57.70 54.90 2kks n MET 57 Cb 0.62 -1.52 0.00 0.00 2.15 0.00 0.00 33.22 34.47 2kks n MET 57 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 2kks n ASP 58 N 1.44 -5.94 0.03 6.12 8.00 -1.26 -4.65 116.55 120.29 2kks n ASP 58 Ca 0.22 -0.59 -0.11 0.00 0.71 0.00 0.00 54.79 55.02 2kks n ASP 58 Cb 0.57 -2.98 -0.04 0.00 -0.02 0.00 0.00 41.12 38.64 2kks n ASP 58 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 2kks h PRO 59 N 0.13 -0.16 -0.48 -0.24 0.11 -1.97 0.49 132.00 129.88 2kks h PRO 59 Ca -0.40 0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.59 2kks h PRO 59 Cb 1.26 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 2kks h PRO 59 CO 0.33 -0.11 -0.19 0.00 -0.21 0.00 0.00 178.00 177.83 2kks h ARG 60 N -0.17 0.97 -0.13 1.05 3.08 -2.02 -2.79 114.38 114.37 2kks h ARG 60 Ca 0.05 -0.39 -0.04 0.00 0.07 0.00 0.00 59.98 59.67 2kks h ARG 60 Cb 0.24 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 2kks h ARG 60 CO -0.14 1.06 -0.11 0.93 -1.07 0.00 0.00 179.97 180.64 2kks h GLU 61 N 0.84 0.21 -0.37 0.04 3.07 -1.80 -2.16 114.58 114.40 2kks h GLU 61 Ca 0.12 -0.04 0.06 0.00 -0.50 0.00 0.00 59.36 59.00 2kks h GLU 61 Cb 0.75 -0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 28.58 2kks h GLU 61 CO 0.06 0.33 0.03 1.96 -1.40 0.00 0.00 179.01 179.99 2kks h GLN 62 N 0.20 0.13 -0.33 2.33 4.20 -0.63 0.26 115.11 121.28 2kks h GLN 62 Ca 0.04 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.68 2kks h GLN 62 Cb 0.32 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 2kks h GLN 62 CO 0.02 0.09 -0.06 1.25 -0.67 0.00 0.00 178.83 179.45 2kks h LEU 63 N 0.13 0.51 -0.22 1.46 5.85 -1.42 -0.22 115.31 121.40 2kks h LEU 63 Ca 0.18 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 2kks h LEU 63 Cb 0.24 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2kks h LEU 63 CO -0.28 0.62 -0.11 0.74 -0.34 0.00 0.00 178.44 179.07 2kks h THR 64 N 0.50 1.30 -0.33 1.05 2.02 -1.07 -2.30 112.91 114.08 2kks h THR 64 Ca 0.10 -1.18 -0.03 0.00 0.77 0.00 0.00 66.41 66.07 2kks h THR 64 Cb 0.42 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 2kks h THR 64 CO 0.02 0.36 0.09 0.00 0.37 0.00 0.00 175.52 176.36 2kks h ALA 65 N 0.71 0.44 -0.31 6.16 0.00 0.08 -1.24 119.26 125.09 2kks h ALA 65 Ca 0.05 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2kks h ALA 65 Cb 0.60 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2kks h ALA 65 CO 0.03 0.10 -0.06 0.28 0.00 0.00 0.00 179.25 179.60 2kks h VAL 66 N 0.38 1.21 -0.32 0.00 2.07 -1.12 -0.94 116.25 117.54 2kks h VAL 66 Ca 0.11 -0.90 -0.07 0.00 0.82 0.00 0.00 66.70 66.66 2kks h VAL 66 Cb 0.29 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 2kks h VAL 66 CO 0.00 0.30 -0.08 0.50 0.02 0.00 0.00 177.57 178.30 2kks h LYS 67 N 0.48 0.53 -0.08 1.57 3.64 -1.00 -1.82 116.57 119.89 2kks h LYS 67 Ca 0.10 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 2kks h LYS 67 Cb 0.41 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2kks h LYS 67 CO 0.02 0.62 -0.10 0.22 -2.27 0.00 0.00 179.45 177.94 2kks h ASP 68 N 0.50 0.22 -0.41 4.20 1.82 -0.43 -2.98 116.42 119.34 2kks h ASP 68 Ca 0.10 -0.51 0.06 0.00 -0.39 0.00 0.00 57.03 56.29 2kks h ASP 68 Cb 0.45 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.38 2kks h ASP 68 CO 0.02 0.69 0.28 0.24 -1.61 0.00 0.00 179.24 178.86 2kks h MET 69 N -0.24 0.28 0.00 0.28 2.86 -1.01 0.48 114.93 117.59 2kks h MET 69 Ca 0.01 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.56 2kks h MET 69 Cb 0.64 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 2kks h MET 69 CO 0.02 0.18 -0.33 0.00 1.06 0.00 0.00 176.91 177.84 2kks h ARG 70 N 0.28 0.00 -0.07 1.72 -0.00 -1.28 0.17 114.38 115.20 2kks h ARG 70 Ca 0.18 0.00 -0.22 0.00 -0.50 0.00 0.00 59.98 59.44 2kks h ARG 70 Cb 0.36 0.00 0.01 0.00 0.00 0.00 0.00 29.97 30.34 2kks h ARG 70 CO -0.04 0.33 -0.81 -0.22 0.00 0.00 0.00 179.97 179.23 2kks h LYS 71 N 0.00 0.68 0.00 0.04 3.11 -0.76 -3.34 116.57 116.30 2kks h LYS 71 Ca -0.00 -0.64 0.00 0.00 -2.81 0.00 0.00 60.65 57.20 2kks h LYS 71 Cb 0.97 0.16 0.00 0.00 -1.00 0.00 0.00 32.23 32.36 2kks h LYS 71 CO 0.04 1.24 -1.60 0.27 -2.81 0.00 0.00 179.45 176.60 2kks n ASN 72 N -3.98 0.34 0.00 4.20 0.23 -0.94 -4.98 115.26 110.13 2kks n ASN 72 Ca -0.09 0.13 0.00 0.00 -0.53 0.00 0.00 54.58 54.09 2kks n ASN 72 Cb 0.77 1.37 0.00 0.00 -2.08 0.00 0.00 39.78 39.84 2kks n ASN 72 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2kks n GLY 73 N 1.23 0.94 4.02 4.83 0.00 0.45 -5.07 105.19 111.59 2kks n GLY 73 Ca -0.02 -0.20 -0.19 0.00 0.00 0.00 0.00 46.02 45.61 2kks n GLY 73 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2kks s TRP 74 N -2.00 1.87 0.32 1.61 0.51 -0.27 -5.01 118.94 115.97 2kks s TRP 74 Ca 0.00 -0.62 0.04 0.00 -2.12 0.00 0.00 56.10 53.39 2kks s TRP 74 Cb 0.00 -2.25 -0.06 0.00 -0.81 0.00 0.00 33.47 30.35 2kks s TRP 74 CO 0.00 -0.88 0.06 0.14 -0.51 0.00 0.00 176.95 175.75 2kks s VAL 75 N -2.57 1.16 -0.20 4.03 -7.23 -0.05 -4.47 120.40 111.07 2kks s VAL 75 Ca 0.59 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.51 2kks s VAL 75 Cb -0.07 -2.78 -0.01 0.00 0.56 0.00 0.00 36.38 34.08 2kks s VAL 75 CO 0.36 -0.01 0.79 -0.32 -0.31 0.00 0.00 175.10 175.61 2kks s MET 76 N -3.90 4.24 -0.14 4.82 1.75 -1.26 -2.45 119.30 122.35 2kks s MET 76 Ca 0.37 0.90 -0.01 0.00 -1.25 0.00 0.00 55.69 55.70 2kks s MET 76 Cb 0.09 -3.60 -0.24 0.00 2.84 0.00 0.00 34.83 33.92 2kks s MET 76 CO 0.15 -0.38 0.27 1.28 -0.65 0.00 0.00 175.02 175.69 2kks n LEU 77 N 5.46 2.33 0.00 4.11 4.77 -0.70 -4.98 117.00 127.99 2kks n LEU 77 Ca 0.04 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2kks n LEU 77 Cb 0.49 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 2kks n LEU 77 CO 0.47 0.79 0.00 0.61 -1.33 0.00 0.00 177.39 177.93 2kks n GLY 78 N 1.98 -0.52 3.29 -0.72 0.00 -1.23 -4.41 105.19 103.59 2kks n GLY 78 Ca -0.33 -0.91 -0.16 0.00 0.00 0.00 0.00 46.02 44.62 2kks n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kks s ASN 79 N -4.00 1.01 -0.02 1.61 2.20 -0.13 -0.97 114.94 114.65 2kks s ASN 79 Ca 0.00 -1.41 -0.08 0.00 -0.94 0.00 0.00 52.86 50.43 2kks s ASN 79 Cb 0.00 0.24 0.01 0.00 -2.00 0.00 0.00 41.25 39.50 2kks s ASN 79 CO 0.00 -0.78 0.17 0.72 -2.94 0.00 0.00 177.10 174.28 2kks s PHE 80 N -3.82 -0.04 -0.15 1.54 -0.71 -0.73 -0.82 117.98 113.25 2kks s PHE 80 Ca 0.38 0.06 -0.10 0.00 -1.04 0.00 0.00 56.93 56.22 2kks s PHE 80 Cb 0.07 -0.00 0.05 0.00 -1.21 0.00 0.00 43.02 41.93 2kks s PHE 80 CO 0.14 -0.26 0.38 -3.38 -1.34 0.00 0.00 175.22 170.75 2kks s HIS 81 N -1.07 -0.50 -0.07 3.49 -3.43 0.78 -1.34 115.29 113.16 2kks s HIS 81 Ca -0.11 1.12 0.03 0.00 -0.80 0.00 0.00 55.06 55.30 2kks s HIS 81 Cb -0.06 0.19 -0.02 0.00 -1.43 0.00 0.00 32.58 31.26 2kks s HIS 81 CO 0.02 -0.28 -0.15 -1.12 -2.00 0.00 0.00 174.74 171.21 2kks s SER 82 N 0.95 3.92 0.24 7.38 0.01 0.69 -2.86 113.70 124.03 2kks s SER 82 Ca -0.06 -0.26 -0.22 0.00 1.31 0.00 0.00 55.95 56.72 2kks s SER 82 Cb -0.07 -1.01 -0.09 0.00 0.21 0.00 0.00 66.02 65.07 2kks s SER 82 CO -0.07 0.30 0.78 -1.00 0.41 0.00 0.00 173.24 173.65 2kks s HIS 83 N -0.43 3.67 0.10 2.43 3.76 -0.70 -1.83 115.29 122.28 2kks s HIS 83 Ca 0.05 1.50 -0.30 0.00 -0.15 0.00 0.00 55.06 56.16 2kks s HIS 83 Cb -0.12 -2.70 -0.12 0.00 1.11 0.00 0.00 32.58 30.75 2kks s HIS 83 CO 0.02 0.31 1.61 -1.35 -0.85 0.00 0.00 174.74 174.49 2kks h PRO 84 N 3.40 -0.66 0.00 8.40 0.11 -1.83 -3.09 132.00 138.34 2kks h PRO 84 Ca -0.48 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2kks h PRO 84 Cb 1.19 0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.45 2kks h PRO 84 CO 0.65 -0.44 -0.30 0.00 -0.21 0.00 0.00 178.00 177.70 2kks n ALA 85 N -2.66 1.75 -2.76 -0.75 0.00 -1.26 -4.38 120.51 110.44 2kks n ALA 85 Ca -0.09 -0.70 -0.22 0.00 0.00 0.00 0.00 53.44 52.43 2kks n ALA 85 Cb 0.35 -0.30 -0.05 0.00 0.00 0.00 0.00 19.45 19.45 2kks n ALA 85 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2kks s THR 86 N 0.00 4.18 1.01 0.00 -4.23 -1.26 -4.05 115.64 111.29 2kks s THR 86 Ca 0.00 -1.47 -0.17 0.00 -1.18 0.00 0.00 61.69 58.87 2kks s THR 86 Cb 0.00 -3.30 0.25 0.00 1.34 0.00 0.00 72.50 70.79 2kks s THR 86 CO 0.00 -0.33 0.90 -0.81 -0.54 0.00 0.00 174.62 173.84 2kks n PRO 87 N -1.16 -2.74 -0.12 3.99 -0.04 -1.26 -3.72 135.00 129.95 2kks n PRO 87 Ca -0.07 -1.44 0.00 0.00 -0.04 0.00 0.00 63.50 61.95 2kks n PRO 87 Cb 0.58 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 2kks n PRO 87 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kks n ALA 88 N -4.52 0.00 -0.55 0.55 0.00 -1.26 -4.69 120.51 110.03 2kks n ALA 88 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2kks n ALA 88 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2kks n ALA 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kks n ARG 89 N -0.39 -1.54 -2.62 0.00 5.12 -1.26 -4.92 116.66 111.05 2kks n ARG 89 Ca 0.00 1.16 -0.41 0.00 -1.93 0.00 0.00 57.85 56.67 2kks n ARG 89 Cb 0.00 -1.36 -0.04 0.00 -1.16 0.00 0.00 32.46 29.90 2kks n ARG 89 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2kks s PRO 90 N -4.91 4.60 0.76 5.56 0.04 -1.26 -5.05 135.00 134.73 2kks s PRO 90 Ca 0.00 1.57 -0.08 0.00 0.04 0.00 0.00 61.00 62.52 2kks s PRO 90 Cb 0.00 -3.37 0.09 0.00 0.04 0.00 0.00 34.50 31.27 2kks s PRO 90 CO 0.00 0.04 1.08 0.45 0.04 0.00 0.00 177.00 178.61 2kks s SER 91 N 0.38 4.46 0.09 6.66 0.15 -1.26 -4.79 113.70 119.40 2kks s SER 91 Ca 0.51 0.38 -0.22 0.00 0.70 0.00 0.00 55.95 57.32 2kks s SER 91 Cb -0.25 -0.89 -0.13 0.00 -1.71 0.00 0.00 66.02 63.03 2kks s SER 91 CO 0.31 -1.84 1.72 0.00 1.20 0.00 0.00 173.24 174.63 2kks h ALA 92 N -0.81 0.07 -0.03 5.45 0.00 -1.99 0.27 119.26 122.21 2kks h ALA 92 Ca -0.44 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.26 2kks h ALA 92 Cb 1.30 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2kks h ALA 92 CO 0.55 -0.43 -0.82 0.93 0.00 0.00 0.00 179.25 179.49 2kks h GLU 93 N 0.05 0.32 -0.85 0.00 3.07 -2.00 -3.08 114.58 112.09 2kks h GLU 93 Ca 0.02 -0.31 -0.02 0.00 -0.50 0.00 0.00 59.36 58.56 2kks h GLU 93 Cb 0.02 0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 27.97 2kks h GLU 93 CO -0.00 0.98 0.47 0.22 -1.40 0.00 0.00 179.01 179.27 2kks h ASP 94 N 0.20 1.06 0.54 1.42 3.58 -1.84 -2.30 116.42 119.09 2kks h ASP 94 Ca -0.05 -0.10 -0.10 0.00 0.42 0.00 0.00 57.03 57.21 2kks h ASP 94 Cb 1.43 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 42.19 2kks h ASP 94 CO 0.14 0.85 -0.47 0.50 -2.88 0.00 0.00 179.24 177.38 2kks h LYS 95 N 1.18 0.00 0.00 0.28 3.11 -0.49 -2.71 116.57 117.94 2kks h LYS 95 Ca 0.30 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.14 2kks h LYS 95 Cb 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.26 2kks h LYS 95 CO -0.05 0.47 0.00 0.00 -2.81 0.00 0.00 179.45 177.06 2kks h ARG 96 N 0.00 0.00 0.00 1.90 2.47 -1.32 -1.20 114.38 116.23 2kks h ARG 96 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2kks h ARG 96 Cb 0.87 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.19 2kks h ARG 96 CO 0.06 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.87 2kks n LEU 97 N -2.67 0.00 -4.53 3.04 4.77 -1.02 -4.63 117.00 111.95 2kks n LEU 97 Ca -0.00 0.29 -0.41 0.00 -0.03 0.00 0.00 56.01 55.85 2kks n LEU 97 Cb 0.17 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 2kks n LEU 97 CO 0.19 -0.03 1.12 0.00 -1.33 0.00 0.00 177.39 177.35 2kks s ALA 98 N -2.58 2.83 -0.38 -1.18 0.00 -0.45 -4.83 121.76 115.16 2kks s ALA 98 Ca 0.25 -1.60 0.04 0.00 0.00 0.00 0.00 51.96 50.66 2kks s ALA 98 Cb 0.18 -4.21 0.58 0.00 0.00 0.00 0.00 23.12 19.68 2kks s ALA 98 CO 0.42 -3.22 1.76 1.19 0.00 0.00 0.00 175.76 175.91 2kks n PHE 99 N 8.94 2.53 -4.22 0.00 3.72 -1.26 -4.93 117.46 122.24 2kks n PHE 99 Ca 0.06 -1.54 -0.24 0.00 -0.05 0.00 0.00 57.45 55.67 2kks n PHE 99 Cb 0.49 -0.81 -0.08 0.00 -0.94 0.00 0.00 39.48 38.14 2kks n PHE 99 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 2kks s ASP 100 N -0.93 4.38 -0.06 4.37 -4.77 -1.26 -5.08 116.67 113.32 2kks s ASP 100 Ca 0.48 -0.97 -0.18 0.00 -3.30 0.00 0.00 52.55 48.58 2kks s ASP 100 Cb 0.40 -0.57 -0.13 0.00 -1.09 0.00 0.00 42.92 41.53 2kks s ASP 100 CO 0.10 -0.35 0.74 -0.65 0.70 0.00 0.00 175.17 175.71 2kks h PRO 101 N 1.62 -0.25 0.00 2.11 0.11 -1.92 -3.45 132.00 130.22 2kks h PRO 101 Ca -0.43 0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.53 2kks h PRO 101 Cb 1.25 0.06 -0.13 0.00 0.11 0.00 0.00 31.00 32.29 2kks h PRO 101 CO 0.67 0.11 -0.15 0.43 -0.21 0.00 0.00 178.00 178.85 2kks n SER 102 N -4.95 -1.68 -4.30 -2.05 7.64 -1.23 -4.15 113.62 102.90 2kks n SER 102 Ca -0.07 -2.41 -0.29 0.00 1.01 0.00 0.00 58.87 57.11 2kks n SER 102 Cb 0.24 1.24 0.16 0.00 -1.01 0.00 0.00 64.21 64.84 2kks n SER 102 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2kks s LEU 103 N -2.37 2.69 -0.32 -3.43 1.43 -1.26 -4.71 118.68 110.71 2kks s LEU 103 Ca 0.17 0.34 -0.16 0.00 -1.03 0.00 0.00 54.13 53.44 2kks s LEU 103 Cb 0.27 -2.48 -0.02 0.00 0.03 0.00 0.00 46.19 43.99 2kks s LEU 103 CO -0.08 -2.54 0.43 -0.44 0.23 0.00 0.00 176.35 173.95 2kks s SER 104 N -4.82 6.27 -0.34 2.29 0.01 -1.26 -3.04 113.70 112.80 2kks s SER 104 Ca 0.71 0.04 -0.05 0.00 1.31 0.00 0.00 55.95 57.96 2kks s SER 104 Cb -0.05 -2.23 0.05 0.00 0.21 0.00 0.00 66.02 64.00 2kks s SER 104 CO 0.52 -0.34 0.08 -0.31 0.41 0.00 0.00 173.24 173.60 2kks s TYR 105 N 2.19 3.29 -0.23 2.43 1.51 0.11 -0.95 117.35 125.69 2kks s TYR 105 Ca 0.16 -1.67 -0.20 0.00 -1.01 0.00 0.00 57.07 54.34 2kks s TYR 105 Cb -0.16 -2.34 -0.02 0.00 -0.11 0.00 0.00 41.96 39.33 2kks s TYR 105 CO 0.12 -0.78 0.62 -0.51 -1.11 0.00 0.00 175.55 173.89 2kks s LEU 106 N 1.33 4.10 -0.20 -1.29 1.02 0.00 -0.19 118.68 123.45 2kks s LEU 106 Ca -0.02 0.76 -0.03 0.00 0.02 0.00 0.00 54.13 54.86 2kks s LEU 106 Cb -0.20 -2.86 -0.01 0.00 0.02 0.00 0.00 46.19 43.14 2kks s LEU 106 CO 0.01 -0.32 -0.06 -0.63 0.02 0.00 0.00 176.35 175.36 2kks s ILE 107 N 2.23 3.29 -0.15 -0.59 1.09 -1.13 -0.15 121.20 125.79 2kks s ILE 107 Ca 0.27 -0.53 -0.06 0.00 -1.10 0.00 0.00 60.65 59.23 2kks s ILE 107 Cb -0.16 -2.47 -0.04 0.00 -1.06 0.00 0.00 42.46 38.73 2kks s ILE 107 CO 0.09 0.45 0.05 -0.63 -0.10 0.00 0.00 174.94 174.80 2kks s ILE 108 N 1.26 4.70 -0.41 2.92 1.01 -1.13 -3.65 121.20 125.90 2kks s ILE 108 Ca 0.03 -0.08 -0.19 0.00 0.00 0.00 0.00 60.65 60.42 2kks s ILE 108 Cb -0.14 -3.07 0.02 0.00 0.01 0.00 0.00 42.46 39.27 2kks s ILE 108 CO -0.02 0.52 0.54 -0.55 0.00 0.00 0.00 174.94 175.42 2kks s SER 109 N -0.11 6.27 -0.34 3.58 0.15 -0.15 -1.72 113.70 121.38 2kks s SER 109 Ca 0.06 -0.40 0.09 0.00 0.70 0.00 0.00 55.95 56.41 2kks s SER 109 Cb -0.12 -2.27 0.74 0.00 -1.71 0.00 0.00 66.02 62.66 2kks s SER 109 CO 0.01 -0.64 1.83 -0.11 1.20 0.00 0.00 173.24 175.53 2kks n LEU 110 N 5.91 6.21 -0.24 3.45 -0.00 -1.17 -2.91 117.00 128.25 2kks n LEU 110 Ca -0.04 -3.28 0.10 0.00 -0.00 0.00 0.00 56.01 52.79 2kks n LEU 110 Cb 0.48 -0.76 0.37 0.00 -0.00 0.00 0.00 43.42 43.50 2kks n LEU 110 CO 0.49 0.84 1.22 0.00 -0.00 0.00 0.00 177.39 179.95 2kks h ALA 111 N 2.48 1.78 -3.37 1.96 0.00 -1.71 -3.39 119.26 117.02 2kks h ALA 111 Ca 0.31 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 55.03 2kks h ALA 111 Cb 2.42 -0.15 -0.26 0.00 0.00 0.00 0.00 17.79 19.79 2kks h ALA 111 CO 0.79 0.02 -0.57 -2.00 0.00 0.00 0.00 179.25 177.49 2kks s GLU 112 N -5.68 0.18 0.22 0.00 2.56 -1.26 -4.94 118.70 109.77 2kks s GLU 112 Ca -0.10 0.12 0.26 0.00 0.00 0.00 0.00 54.97 55.25 2kks s GLU 112 Cb 0.21 0.08 0.82 0.00 2.00 0.00 0.00 34.13 37.24 2kks s GLU 112 CO 0.78 -0.03 1.77 -2.30 -0.56 0.00 0.00 175.26 174.93 2kks n PRO 113 N 2.87 0.26 0.12 4.30 -0.02 -1.26 -2.70 135.00 138.57 2kks n PRO 113 Ca -0.13 0.24 -0.02 0.00 -2.02 0.00 0.00 63.50 61.57 2kks n PRO 113 Cb 0.59 -1.82 0.07 0.00 -0.02 0.00 0.00 33.50 32.32 2kks n PRO 113 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2kks h GLN 114 N 0.00 0.00 -1.72 -0.52 1.08 -1.97 -3.38 115.11 108.59 2kks h GLN 114 Ca 0.00 0.00 -0.43 0.00 -1.45 0.00 0.00 58.65 56.77 2kks h GLN 114 Cb 0.71 0.00 -0.30 0.00 -0.05 0.00 0.00 27.48 27.84 2kks h GLN 114 CO 0.00 0.71 -0.81 1.63 -0.95 0.00 0.00 178.83 179.41 2kks n LYS 115 N -3.52 0.41 -2.76 1.46 4.76 -1.19 -5.10 118.16 112.22 2kks n LYS 115 Ca -0.00 -2.73 -0.43 0.00 -2.87 0.00 0.00 58.31 52.28 2kks n LYS 115 Cb 0.74 -1.53 -0.03 0.00 -1.84 0.00 0.00 35.03 32.36 2kks n LYS 115 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2kks s PRO 116 N 0.18 3.56 -0.10 1.97 0.05 -1.10 -4.49 135.00 135.07 2kks s PRO 116 Ca 0.32 0.23 -0.29 0.00 0.05 0.00 0.00 61.00 61.31 2kks s PRO 116 Cb 0.06 -3.94 -0.04 0.00 0.05 0.00 0.00 34.50 30.64 2kks s PRO 116 CO -0.15 -1.31 1.48 0.08 0.05 0.00 0.00 177.00 177.16 2kks s VAL 117 N 4.00 3.89 -0.22 -0.36 1.01 -1.15 -4.79 120.40 122.79 2kks s VAL 117 Ca 0.40 1.07 -0.01 0.00 0.00 0.00 0.00 61.98 63.44 2kks s VAL 117 Cb -0.09 -3.69 0.02 0.00 0.00 0.00 0.00 36.38 32.61 2kks s VAL 117 CO 0.27 -0.09 -0.11 0.00 0.00 0.00 0.00 175.10 175.17 2kks s LYS 119 N 1.33 0.96 -0.21 0.00 -0.14 -1.24 -4.83 119.74 115.61 2kks s LYS 119 Ca 0.02 -1.45 -0.02 0.00 -1.36 0.00 0.00 55.97 53.17 2kks s LYS 119 Cb -0.15 0.02 0.01 0.00 -1.68 0.00 0.00 37.83 36.02 2kks s LYS 119 CO -0.07 -0.18 -0.11 -1.12 -0.76 0.00 0.00 175.35 173.11 2kks s SER 120 N -3.08 3.83 -0.15 2.83 0.01 -1.09 -2.81 113.70 113.23 2kks s SER 120 Ca 0.21 -0.53 -0.04 0.00 1.31 0.00 0.00 55.95 56.91 2kks s SER 120 Cb 0.07 -1.63 -0.03 0.00 0.21 0.00 0.00 66.02 64.64 2kks s SER 120 CO 0.01 -0.02 -0.03 -0.36 0.41 0.00 0.00 173.24 173.25 2kks s PHE 121 N 1.39 3.04 -0.42 2.43 0.08 0.74 0.36 117.98 125.60 2kks s PHE 121 Ca 0.05 -0.27 -0.18 0.00 0.12 0.00 0.00 56.93 56.65 2kks s PHE 121 Cb -0.14 -1.96 0.02 0.00 -0.57 0.00 0.00 43.02 40.37 2kks s PHE 121 CO -0.07 -0.01 0.48 -0.51 -0.10 0.00 0.00 175.22 175.00 2kks s LEU 122 N 0.33 4.75 -0.51 -0.37 1.43 0.17 0.05 118.68 124.53 2kks s LEU 122 Ca -0.04 -0.56 -0.24 0.00 -1.03 0.00 0.00 54.13 52.26 2kks s LEU 122 Cb -0.14 -2.46 0.03 0.00 0.03 0.00 0.00 46.19 43.65 2kks s LEU 122 CO 0.03 -0.61 0.91 -0.63 0.23 0.00 0.00 176.35 176.29 2kks s ILE 123 N 2.28 4.45 0.43 -0.59 1.01 -1.17 -0.66 121.20 126.96 2kks s ILE 123 Ca 0.14 0.46 0.07 0.00 0.00 0.00 0.00 60.65 61.32 2kks s ILE 123 Cb -0.16 -4.47 -0.03 0.00 0.01 0.00 0.00 42.46 37.80 2kks s ILE 123 CO 0.15 -0.97 0.24 -0.54 0.00 0.00 0.00 174.94 173.82 2kks s LYS 124 N 3.79 2.29 0.08 2.79 1.02 0.77 -3.49 119.74 126.98 2kks s LYS 124 Ca 0.33 -1.83 -0.27 0.00 0.02 0.00 0.00 55.97 54.22 2kks s LYS 124 Cb -0.12 -2.05 -0.17 0.00 -0.52 0.00 0.00 37.83 34.97 2kks s LYS 124 CO 0.22 -0.20 1.66 -0.22 -0.92 0.00 0.00 175.35 175.89 2kks h LYS 125 N 1.26 -0.35 0.00 1.68 3.11 -1.95 -2.87 116.57 117.45 2kks h LYS 125 Ca -0.42 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.45 2kks h LYS 125 Cb 1.26 0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.57 2kks h LYS 125 CO 0.66 -0.21 0.00 -0.44 -2.81 0.00 0.00 179.45 176.65 2kks h ASP 126 N -0.39 0.00 -0.81 4.20 5.19 -1.96 -3.48 116.42 119.18 2kks h ASP 126 Ca -0.04 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 2kks h ASP 126 Cb 0.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.81 2kks h ASP 126 CO 0.06 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.79 2kks n GLY 127 N -0.31 -0.36 3.61 2.75 0.00 -1.09 -5.11 105.19 104.69 2kks n GLY 127 Ca 0.00 -1.42 -0.34 0.00 0.00 0.00 0.00 46.02 44.26 2kks n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kks s VAL 128 N -2.80 4.33 0.07 1.61 0.11 -1.26 -0.17 120.40 122.29 2kks s VAL 128 Ca 0.00 -0.21 0.09 0.00 -2.93 0.00 0.00 61.98 58.93 2kks s VAL 128 Cb 0.00 -2.89 -0.03 0.00 -1.53 0.00 0.00 36.38 31.93 2kks s VAL 128 CO 0.00 0.52 -0.24 -0.62 -3.33 0.00 0.00 175.10 171.43 2kks s ASP 129 N -0.09 3.39 -0.18 3.54 2.15 0.17 -4.94 116.67 120.72 2kks s ASP 129 Ca 0.04 -0.58 -0.13 0.00 0.43 0.00 0.00 52.55 52.31 2kks s ASP 129 Cb -0.13 -0.37 -0.05 0.00 -0.30 0.00 0.00 42.92 42.08 2kks s ASP 129 CO 0.02 0.24 0.26 -1.83 -0.17 0.00 0.00 175.17 173.68 2kks s GLU 130 N -1.51 4.23 -0.14 4.34 -1.05 -1.26 0.43 118.70 123.74 2kks s GLU 130 Ca 0.13 0.01 -0.03 0.00 -0.15 0.00 0.00 54.97 54.93 2kks s GLU 130 Cb -0.10 -3.44 -0.03 0.00 -0.44 0.00 0.00 34.13 30.12 2kks s GLU 130 CO 0.04 0.21 -0.02 -2.00 0.95 0.00 0.00 175.26 174.44 2kks s GLU 131 N 0.56 3.48 0.14 -4.83 2.56 0.16 -4.95 118.70 115.81 2kks s GLU 131 Ca 0.14 -0.48 -0.13 0.00 0.00 0.00 0.00 54.97 54.51 2kks s GLU 131 Cb -0.13 -2.89 -0.07 0.00 2.00 0.00 0.00 34.13 33.05 2kks s GLU 131 CO 0.03 0.38 0.52 -2.00 -0.56 0.00 0.00 175.26 173.63 2kks s GLU 132 N -0.01 3.91 -0.26 4.30 2.56 -1.26 -2.68 118.70 125.26 2kks s GLU 132 Ca 0.02 0.39 -0.11 0.00 0.00 0.00 0.00 54.97 55.28 2kks s GLU 132 Cb -0.13 -2.92 -0.05 0.00 2.00 0.00 0.00 34.13 33.03 2kks s GLU 132 CO 0.02 0.48 0.17 0.42 -0.56 0.00 0.00 175.26 175.79 2kks s ILE 133 N -1.49 5.28 -0.12 -3.70 1.01 -1.26 -3.24 121.20 117.68 2kks s ILE 133 Ca 0.38 0.16 -0.05 0.00 0.00 0.00 0.00 60.65 61.13 2kks s ILE 133 Cb -0.14 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 2kks s ILE 133 CO 0.19 0.31 0.07 -0.63 0.00 0.00 0.00 174.94 174.88 2kks s ILE 134 N 1.37 4.90 0.12 2.92 1.09 0.08 -5.02 121.20 126.66 2kks s ILE 134 Ca 0.07 -0.02 -0.07 0.00 -1.10 0.00 0.00 60.65 59.53 2kks s ILE 134 Cb -0.15 -3.13 -0.06 0.00 -1.06 0.00 0.00 42.46 38.07 2kks s ILE 134 CO 0.07 0.58 0.39 -0.76 -0.10 0.00 0.00 174.94 175.12 2kks s LEU 135 N -0.65 4.29 -0.06 2.97 1.43 -1.26 -1.57 118.68 123.84 2kks s LEU 135 Ca 0.12 0.69 0.06 0.00 -1.03 0.00 0.00 54.13 53.96 2kks s LEU 135 Cb -0.12 -3.19 -0.01 0.00 0.03 0.00 0.00 46.19 42.91 2kks s LEU 135 CO 0.02 0.10 -0.23 -0.75 0.23 0.00 0.00 176.35 175.72 2kks s LYS 136 N -2.35 2.43 0.37 1.70 2.20 0.61 -4.88 119.74 119.82 2kks s LYS 136 Ca 0.38 -0.84 0.19 0.00 -0.36 0.00 0.00 55.97 55.34 2kks s LYS 136 Cb -0.13 -2.05 0.58 0.00 -1.51 0.00 0.00 37.83 34.73 2kks s LYS 136 CO 0.21 0.34 1.68 1.49 -0.36 0.00 0.00 175.35 178.72 2kks h GLU 137 N 6.15 0.00 -4.74 4.03 4.81 -1.97 -2.91 114.58 119.95 2kks h GLU 137 Ca -0.31 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.65 2kks h GLU 137 Cb 1.18 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 30.39 2kks h GLU 137 CO 0.47 0.36 -0.72 -2.00 -0.73 0.00 0.00 179.01 176.40 2kks s GLU 138 N -3.45 0.78 0.96 1.92 2.56 -1.26 -4.78 118.70 115.43 2kks s GLU 138 Ca 0.01 -1.16 -0.12 0.00 0.00 0.00 0.00 54.97 53.71 2kks s GLU 138 Cb 0.10 -0.33 0.16 0.00 2.00 0.00 0.00 34.13 36.06 2kks s GLU 138 CO 0.69 0.03 1.09 -0.51 -0.56 0.00 0.00 175.26 176.00 2kks s LEU 139 N -2.54 1.89 -1.03 2.70 1.43 -1.26 -4.87 118.68 114.99 2kks s LEU 139 Ca 0.05 1.34 -0.08 0.00 -1.03 0.00 0.00 54.13 54.42 2kks s LEU 139 Cb -0.01 -3.63 -0.11 0.00 0.03 0.00 0.00 46.19 42.47 2kks s LEU 139 CO -0.02 -2.94 2.75 1.21 0.23 0.00 0.00 176.35 177.58 2kks n GLU 140 N -4.06 2.75 -3.50 1.70 4.07 -1.26 -4.50 120.64 115.84 2kks n GLU 140 Ca 0.06 -1.66 -0.20 0.00 -0.06 0.00 0.00 57.16 55.30 2kks n GLU 140 Cb 0.56 -2.49 0.08 0.00 -0.06 0.00 0.00 31.44 29.54 2kks n GLU 140 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2kks n HIS 141 N 3.53 -2.53 -4.58 4.31 8.25 -1.26 -4.75 115.22 118.19 2kks n HIS 141 Ca 0.59 0.96 0.00 0.00 -0.26 0.00 0.00 57.72 59.01 2kks n HIS 141 Cb 0.33 -4.99 0.00 0.00 1.12 0.00 0.00 29.99 26.45 2kks n HIS 141 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kks n HIS 142 N -4.57 -1.20 0.23 4.41 8.25 -1.26 -3.79 115.22 117.29 2kks n HIS 142 Ca -0.12 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.40 2kks n HIS 142 Cb 0.61 0.15 0.54 0.00 1.12 0.00 0.00 29.99 32.41 2kks n HIS 142 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 2kks h HIS 143 N 0.00 0.00 -4.90 4.41 -0.00 -2.01 -3.48 115.15 109.17 2kks h HIS 143 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.38 2kks h HIS 143 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 27.41 27.28 2kks h HIS 143 CO 0.00 0.14 -1.53 1.58 -0.00 0.00 0.00 177.93 178.12 2kks n HIS 144 N -4.34 -4.32 -3.46 6.12 -0.00 -1.25 -5.08 115.22 102.90 2kks n HIS 144 Ca -0.03 2.50 0.01 0.00 -0.00 0.00 0.00 57.72 60.21 2kks n HIS 144 Cb 0.21 -3.84 -0.04 0.00 -0.00 0.00 0.00 29.99 26.32 2kks n HIS 144 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kks s HIS 145 N -0.67 -0.83 -2.85 1.57 2.46 -1.26 -5.14 115.29 108.57 2kks s HIS 145 Ca -0.27 1.43 0.25 0.00 0.47 0.00 0.00 55.06 56.94 2kks s HIS 145 Cb 0.02 0.50 0.44 0.00 -0.13 0.00 0.00 32.58 33.41 2kks s HIS 145 CO 0.77 -0.41 1.40 -2.39 -2.47 0.00 0.00 174.74 171.64