#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 3.42 -0.07 3.17 2.07 0.17 -1.90 121.20 128.05 2kks s ILE 2 Ca 0.00 -0.58 0.03 0.00 -1.41 0.00 0.00 60.65 58.69 2kks s ILE 2 Cb 0.00 -2.38 0.01 0.00 0.13 0.00 0.00 42.46 40.21 2kks s ILE 2 CO 0.00 0.59 -0.17 -0.89 -1.91 0.00 0.00 174.94 172.56 2kks s THR 3 N -0.68 1.50 0.13 4.00 2.01 0.49 -0.73 115.64 122.36 2kks s THR 3 Ca 0.10 -0.70 -0.03 0.00 0.31 0.00 0.00 61.69 61.37 2kks s THR 3 Cb -0.11 -1.32 -0.03 0.00 0.01 0.00 0.00 72.50 71.05 2kks s THR 3 CO 0.01 0.43 0.10 -1.48 -0.69 0.00 0.00 174.62 173.00 2kks s LEU 4 N 0.45 1.65 0.48 4.42 0.05 -0.23 -0.48 118.68 125.02 2kks s LEU 4 Ca -0.14 -1.10 0.08 0.00 0.05 0.00 0.00 54.13 53.02 2kks s LEU 4 Cb -0.16 0.51 0.02 0.00 -2.05 0.00 0.00 46.19 44.51 2kks s LEU 4 CO 0.05 -0.75 0.52 0.42 -0.55 0.00 0.00 176.35 176.04 2kks s THR 5 N -4.01 2.43 0.24 5.48 -4.23 -1.26 -2.17 115.64 112.11 2kks s THR 5 Ca 0.20 -1.21 -0.05 0.00 -1.18 0.00 0.00 61.69 59.45 2kks s THR 5 Cb 0.07 -2.64 0.20 0.00 1.34 0.00 0.00 72.50 71.47 2kks s THR 5 CO -0.00 0.00 1.81 0.50 -0.54 0.00 0.00 174.62 176.39 2kks h LYS 6 N 0.69 0.75 -0.90 3.99 3.64 -1.49 -0.76 116.57 122.49 2kks h LYS 6 Ca -0.37 -0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.03 2kks h LYS 6 Cb 1.28 -0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 32.87 2kks h LYS 6 CO 0.51 0.50 0.58 -0.22 -2.27 0.00 0.00 179.45 178.55 2kks h LYS 7 N 0.77 0.97 -0.21 1.90 3.11 -1.91 0.27 116.57 121.47 2kks h LYS 7 Ca 0.38 -0.06 -0.04 0.00 -2.81 0.00 0.00 60.65 58.12 2kks h LYS 7 Cb 0.32 -0.22 -0.01 0.00 -1.00 0.00 0.00 32.23 31.32 2kks h LYS 7 CO -0.23 0.64 -0.02 1.96 -2.81 0.00 0.00 179.45 178.99 2kks h GLN 8 N 1.00 0.39 -0.41 1.90 1.08 -1.54 0.22 115.11 117.74 2kks h GLN 8 Ca 0.39 -0.14 0.04 0.00 -1.45 0.00 0.00 58.65 57.49 2kks h GLN 8 Cb 0.24 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.60 2kks h GLN 8 CO -0.15 0.61 0.20 1.98 -0.95 0.00 0.00 178.83 180.51 2kks h MET 9 N 0.13 0.39 -0.59 1.46 4.05 -0.41 0.15 114.93 120.10 2kks h MET 9 Ca 0.06 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.45 2kks h MET 9 Cb 0.45 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.13 2kks h MET 9 CO 0.02 0.25 0.34 0.93 0.23 0.00 0.00 176.91 178.68 2kks h GLU 10 N 0.40 0.82 -0.66 0.39 4.39 -0.37 0.46 114.58 120.00 2kks h GLU 10 Ca 0.18 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 2kks h GLU 10 Cb 0.10 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 2kks h GLU 10 CO -0.14 0.61 0.34 0.93 -1.16 0.00 0.00 179.01 179.60 2kks h GLU 11 N 0.80 0.94 -0.20 2.33 5.08 0.06 0.31 114.58 123.90 2kks h GLU 11 Ca 0.21 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 2kks h GLU 11 Cb 0.02 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 2kks h GLU 11 CO -0.04 0.73 -0.23 0.52 -1.00 0.00 0.00 179.01 178.99 2kks h MET 12 N 0.91 0.51 -0.39 2.33 2.86 -0.43 -2.82 114.93 117.89 2kks h MET 12 Ca 0.23 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 2kks h MET 12 Cb 0.08 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 2kks h MET 12 CO -0.03 0.87 0.21 -0.07 1.06 0.00 0.00 176.91 178.94 2kks h LEU 13 N 0.17 0.49 -0.94 1.22 3.38 0.15 0.29 115.31 120.08 2kks h LEU 13 Ca 0.03 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.93 2kks h LEU 13 Cb 0.79 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 2kks h LEU 13 CO 0.06 0.45 0.61 0.00 0.09 0.00 0.00 178.44 179.65 2kks h ALA 14 N 1.07 1.23 -0.24 1.53 0.00 -0.44 0.15 119.26 122.56 2kks h ALA 14 Ca 0.14 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 2kks h ALA 14 Cb 0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2kks h ALA 14 CO -0.02 0.51 -0.47 1.25 0.00 0.00 0.00 179.25 180.51 2kks h HIS 15 N 1.20 0.78 0.30 0.00 -0.00 -1.19 -2.57 115.15 113.67 2kks h HIS 15 Ca 0.37 -0.25 -0.01 0.00 -0.00 0.00 0.00 60.37 60.47 2kks h HIS 15 Cb -0.03 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 27.23 2kks h HIS 15 CO -0.01 0.99 -0.15 0.00 -0.00 0.00 0.00 177.93 178.76 2kks h ALA 16 N 0.97 -0.41 -0.89 5.26 0.00 0.73 -1.96 119.26 122.96 2kks h ALA 16 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2kks h ALA 16 Cb 1.01 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 2kks h ALA 16 CO 0.09 -0.65 0.56 0.00 0.00 0.00 0.00 179.25 179.26 2kks h ARG 17 N -0.57 1.18 -0.58 0.00 -0.00 -0.81 -0.78 114.38 112.81 2kks h ARG 17 Ca -0.04 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.98 59.34 2kks h ARG 17 Cb 0.42 -0.26 -0.03 0.00 0.00 0.00 0.00 29.97 30.10 2kks h ARG 17 CO 0.07 0.80 0.31 0.37 0.00 0.00 0.00 179.97 181.52 2kks h GLN 18 N 1.21 0.80 -0.27 0.04 4.15 -1.34 -2.77 115.11 116.92 2kks h GLN 18 Ca 0.32 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.66 2kks h GLN 18 Cb -0.10 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.43 2kks h GLN 18 CO -0.07 0.59 0.00 0.00 -1.93 0.00 0.00 178.83 177.42 2kks n ALA 19 N -2.45 2.42 -1.71 3.38 0.00 -0.75 -4.97 120.51 116.43 2kks n ALA 19 Ca 0.05 -0.90 -0.36 0.00 0.00 0.00 0.00 53.44 52.23 2kks n ALA 19 Cb 0.10 -0.77 0.04 0.00 0.00 0.00 0.00 19.45 18.83 2kks n ALA 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kks s LEU 20 N -1.48 3.62 -1.09 0.00 1.43 -0.36 -1.92 118.68 118.88 2kks s LEU 20 Ca 0.33 2.41 -0.04 0.00 -1.03 0.00 0.00 54.13 55.80 2kks s LEU 20 Cb 0.20 -4.60 0.30 0.00 0.03 0.00 0.00 46.19 42.12 2kks s LEU 20 CO 0.28 -1.70 1.61 -0.81 0.23 0.00 0.00 176.35 175.96 2kks n PRO 21 N -1.74 4.64 -4.59 1.29 -0.04 -1.26 -5.05 135.00 128.25 2kks n PRO 21 Ca 0.14 -4.48 -0.28 0.00 -0.04 0.00 0.00 63.50 58.84 2kks n PRO 21 Cb 0.49 -2.54 -0.08 0.00 -0.04 0.00 0.00 33.50 31.34 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 -1.46 3.22 -1.15 3.54 0.01 -0.81 -4.59 114.94 113.71 2kks s ASN 22 Ca 0.34 -1.63 -0.21 0.00 -0.71 0.00 0.00 52.86 50.65 2kks s ASN 22 Cb 0.09 0.42 0.05 0.00 0.41 0.00 0.00 41.25 42.21 2kks s ASN 22 CO 0.05 -0.86 1.62 -1.61 -1.51 0.00 0.00 177.10 174.79 2kks s GLU 23 N -3.78 3.69 -0.18 -0.60 2.02 -1.14 -4.50 118.70 114.21 2kks s GLU 23 Ca 0.20 -1.48 -0.29 0.00 0.02 0.00 0.00 54.97 53.42 2kks s GLU 23 Cb 0.03 -5.42 -0.06 0.00 0.10 0.00 0.00 34.13 28.77 2kks s GLU 23 CO 0.11 -2.34 2.18 0.00 0.02 0.00 0.00 175.26 175.23 2kks n ALA 24 N 9.07 1.69 -2.53 5.21 0.00 -1.22 -4.40 120.51 128.33 2kks n ALA 24 Ca 0.41 -0.15 -0.25 0.00 0.00 0.00 0.00 53.44 53.44 2kks n ALA 24 Cb 0.48 -2.85 -0.09 0.00 0.00 0.00 0.00 19.45 16.99 2kks n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kks n GLY 26 N -1.03 -0.58 3.35 0.00 0.00 -1.02 -4.24 105.19 101.68 2kks n GLY 26 Ca -0.04 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.15 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 2.43 -0.05 0.99 1.43 -0.40 -3.33 118.68 119.76 2kks s LEU 27 Ca 0.00 -0.86 0.06 0.00 -1.03 0.00 0.00 54.13 52.31 2kks s LEU 27 Cb 0.00 -0.92 -0.01 0.00 0.03 0.00 0.00 46.19 45.29 2kks s LEU 27 CO 0.00 0.01 -0.25 -0.76 0.23 0.00 0.00 176.35 175.58 2kks s LEU 28 N -2.63 2.09 0.27 1.79 1.43 -0.59 -1.00 118.68 120.04 2kks s LEU 28 Ca 0.17 -0.49 0.10 0.00 -1.03 0.00 0.00 54.13 52.87 2kks s LEU 28 Cb -0.06 -1.37 -0.05 0.00 0.03 0.00 0.00 46.19 44.73 2kks s LEU 28 CO 0.07 0.26 -0.15 -0.83 0.23 0.00 0.00 176.35 175.94 2kks s GLY 29 N -0.27 1.83 0.00 -3.19 0.00 -1.10 -2.08 107.32 102.51 2kks s GLY 29 Ca -0.00 -1.87 0.00 0.00 0.00 0.00 0.00 44.72 42.85 2kks s GLY 29 CO 0.03 -1.92 0.00 0.61 0.00 0.00 0.00 173.10 171.82 2kks n GLY 30 N -0.59 -0.49 3.59 0.20 0.00 -0.73 -2.71 105.19 104.46 2kks n GLY 30 Ca -0.06 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.35 2kks n GLY 30 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kks s ARG 31 N -2.00 2.66 -0.21 1.61 3.52 -0.76 -0.44 118.95 123.32 2kks s ARG 31 Ca 0.00 -0.63 -0.04 0.00 -0.13 0.00 0.00 55.73 54.94 2kks s ARG 31 Cb 0.00 -2.55 -0.01 0.00 -1.56 0.00 0.00 34.95 30.83 2kks s ARG 31 CO 0.00 0.64 -0.05 -0.98 -0.81 0.00 0.00 175.30 174.10 2kks s ARG 32 N -1.10 3.38 -0.23 5.12 1.70 -1.26 -0.70 118.95 125.86 2kks s ARG 32 Ca 0.15 -0.63 0.12 0.00 -0.47 0.00 0.00 55.73 54.90 2kks s ARG 32 Cb -0.11 -2.98 0.45 0.00 -0.57 0.00 0.00 34.95 31.74 2kks s ARG 32 CO 0.04 -0.16 1.32 -3.47 -1.08 0.00 0.00 175.30 171.96 2kks n ASP 33 N 4.68 2.27 0.00 -2.89 -0.08 0.34 -5.00 116.55 115.88 2kks n ASP 33 Ca -0.18 -3.68 0.00 0.00 -1.51 0.00 0.00 54.79 49.42 2kks n ASP 33 Cb 0.51 -0.56 0.00 0.00 2.34 0.00 0.00 41.12 43.41 2kks n ASP 33 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kks n GLY 34 N -1.11 0.59 0.00 0.27 0.00 -1.26 -4.70 105.19 98.98 2kks n GLY 34 Ca 0.24 -0.80 0.12 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 0.48 -4.77 1.61 2.03 -1.26 -4.82 116.55 109.82 2kks n ASP 35 Ca 0.00 -0.22 -0.37 0.00 0.52 0.00 0.00 54.79 54.72 2kks n ASP 35 Cb 0.00 0.22 -0.07 0.00 -0.72 0.00 0.00 41.12 40.56 2kks n ASP 35 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 2kks s ASP 36 N -3.00 6.52 -0.05 1.67 1.47 -1.26 -0.25 116.67 121.77 2kks s ASP 36 Ca 0.11 0.61 0.02 0.00 1.18 0.00 0.00 52.55 54.47 2kks s ASP 36 Cb 0.18 -2.19 0.01 0.00 -0.34 0.00 0.00 42.92 40.58 2kks s ASP 36 CO 0.69 0.18 -0.09 0.00 0.68 0.00 0.00 175.17 176.63 2kks s ARG 37 N -0.05 1.30 -0.21 2.11 3.03 -0.80 -0.51 118.95 123.83 2kks s ARG 37 Ca 0.18 -0.31 -0.01 0.00 2.03 0.00 0.00 55.73 57.62 2kks s ARG 37 Cb -0.14 -1.14 0.01 0.00 -1.03 0.00 0.00 34.95 32.66 2kks s ARG 37 CO 0.06 0.02 -0.11 -1.58 -1.13 0.00 0.00 175.30 172.56 2kks s TRP 38 N 0.61 2.91 -0.26 5.89 0.51 0.12 -0.38 118.94 128.35 2kks s TRP 38 Ca -0.11 -1.39 -0.23 0.00 -2.12 0.00 0.00 56.10 52.25 2kks s TRP 38 Cb -0.14 -2.01 -0.01 0.00 -0.81 0.00 0.00 33.47 30.50 2kks s TRP 38 CO 0.02 -0.70 0.77 0.08 -0.51 0.00 0.00 176.95 176.61 2kks s VAL 39 N 1.36 4.87 -0.20 4.03 1.01 0.37 -1.83 120.40 130.00 2kks s VAL 39 Ca 0.04 1.40 0.13 0.00 0.00 0.00 0.00 61.98 63.55 2kks s VAL 39 Cb -0.14 -4.08 -0.21 0.00 0.00 0.00 0.00 36.38 31.95 2kks s VAL 39 CO -0.08 -0.08 -0.00 -1.84 0.00 0.00 0.00 175.10 173.10 2kks n GLU 40 N 5.97 0.87 -3.84 2.72 -0.00 -1.10 -4.39 120.64 120.87 2kks n GLU 40 Ca 0.04 0.03 -0.12 0.00 -0.00 0.00 0.00 57.16 57.10 2kks n GLU 40 Cb 0.48 -1.48 -0.13 0.00 -0.00 0.00 0.00 31.44 30.31 2kks n GLU 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 2kks s ARG 41 N -2.46 0.12 -0.04 3.44 3.52 -1.25 -4.93 118.95 117.35 2kks s ARG 41 Ca -0.15 0.14 -0.16 0.00 -0.13 0.00 0.00 55.73 55.43 2kks s ARG 41 Cb 0.06 0.06 -0.05 0.00 -1.56 0.00 0.00 34.95 33.46 2kks s ARG 41 CO 0.71 -0.01 0.44 0.08 -0.81 0.00 0.00 175.30 175.70 2kks s VAL 42 N 0.05 5.07 -0.74 7.11 1.01 -1.26 -2.72 120.40 128.92 2kks s VAL 42 Ca -0.00 0.90 -0.04 0.00 0.00 0.00 0.00 61.98 62.84 2kks s VAL 42 Cb -0.01 -3.76 0.19 0.00 0.00 0.00 0.00 36.38 32.80 2kks s VAL 42 CO 0.00 0.48 0.59 -0.31 0.00 0.00 0.00 175.10 175.86 2kks s TYR 43 N -0.40 3.59 -0.28 5.22 1.51 -0.17 -4.99 117.35 121.83 2kks s TYR 43 Ca 0.25 -2.74 -0.29 0.00 -1.01 0.00 0.00 57.07 53.28 2kks s TYR 43 Cb -0.16 -3.28 -0.01 0.00 -0.11 0.00 0.00 41.96 38.39 2kks s TYR 43 CO 0.12 -0.82 1.57 -2.14 -1.11 0.00 0.00 175.55 173.16 2kks s PRO 44 N -0.46 3.70 0.30 -1.71 0.02 -1.26 -1.27 135.00 134.32 2kks s PRO 44 Ca 0.20 1.44 0.02 0.00 0.02 0.00 0.00 61.00 62.69 2kks s PRO 44 Cb -0.15 -4.04 -0.03 0.00 0.02 0.00 0.00 34.50 30.30 2kks s PRO 44 CO -0.07 -1.40 0.47 -0.51 -0.33 0.00 0.00 177.00 175.16 2kks s LEU 45 N 5.39 4.13 0.63 -5.54 1.43 -1.26 -4.97 118.68 118.49 2kks s LEU 45 Ca 0.69 0.30 -0.19 0.00 -1.03 0.00 0.00 54.13 53.91 2kks s LEU 45 Cb -0.21 -3.14 -0.02 0.00 0.03 0.00 0.00 46.19 42.85 2kks s LEU 45 CO 0.30 -0.20 1.31 0.21 0.23 0.00 0.00 176.35 178.19 2kks s ASN 46 N -4.00 4.69 -0.50 2.29 2.47 -1.26 -4.77 114.94 113.86 2kks s ASN 46 Ca 0.38 2.66 -0.17 0.00 0.42 0.00 0.00 52.86 56.15 2kks s ASN 46 Cb -0.09 -2.62 0.08 0.00 -1.45 0.00 0.00 41.25 37.16 2kks s ASN 46 CO 0.33 -1.95 0.51 0.21 -3.72 0.00 0.00 177.10 172.48 2kks s ASN 47 N -1.31 6.18 -0.07 -4.21 2.47 -1.26 -4.79 114.94 111.95 2kks s ASN 47 Ca 0.81 -1.28 -0.19 0.00 0.42 0.00 0.00 52.86 52.62 2kks s ASN 47 Cb -0.38 -2.23 -0.14 0.00 -1.45 0.00 0.00 41.25 37.05 2kks s ASN 47 CO 0.41 -0.79 0.73 -0.07 -3.72 0.00 0.00 177.10 173.66 2kks h LEU 48 N 9.17 -0.16 -9.06 3.21 -0.00 -1.92 -3.44 115.31 113.10 2kks h LEU 48 Ca -0.28 -0.35 -0.61 0.00 -0.00 0.00 0.00 57.88 56.64 2kks h LEU 48 Cb 1.10 0.04 -0.12 0.00 -0.00 0.00 0.00 40.66 41.69 2kks h LEU 48 CO 0.95 0.42 -0.08 -0.62 -0.00 0.00 0.00 178.44 179.11 2kks s ASP 49 N -5.52 6.47 -1.32 -0.43 -1.08 -1.26 -4.95 116.67 108.57 2kks s ASP 49 Ca -0.11 0.56 -0.07 0.00 -0.52 0.00 0.00 52.55 52.41 2kks s ASP 49 Cb 0.00 -2.27 0.02 0.00 -1.46 0.00 0.00 42.92 39.21 2kks s ASP 49 CO 0.42 -0.19 2.69 0.00 0.52 0.00 0.00 175.17 178.61 2kks n GLN 50 N 5.00 4.00 -4.48 4.34 1.13 -1.26 -4.81 117.38 121.29 2kks n GLN 50 Ca -0.06 -2.79 -0.22 0.00 -1.94 0.00 0.00 57.00 51.99 2kks n GLN 50 Cb 0.50 -2.63 -0.14 0.00 0.11 0.00 0.00 30.24 28.08 2kks n GLN 50 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2kks s SER 51 N 1.14 1.88 0.00 1.08 0.01 -1.26 -5.03 113.70 111.52 2kks s SER 51 Ca 0.61 -0.44 0.18 0.00 1.31 0.00 0.00 55.95 57.61 2kks s SER 51 Cb 0.20 -0.15 0.81 0.00 0.21 0.00 0.00 66.02 67.10 2kks s SER 51 CO -0.09 0.09 1.56 -0.81 0.41 0.00 0.00 173.24 174.40 2kks n PRO 52 N 2.03 1.38 0.00 12.44 -0.05 -1.26 -2.86 135.00 146.68 2kks n PRO 52 Ca -0.17 -0.57 0.00 0.00 -0.05 0.00 0.00 63.50 62.71 2kks n PRO 52 Cb 0.54 -1.31 0.00 0.00 -0.05 0.00 0.00 33.50 32.68 2kks n PRO 52 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 175.50 175.84 2kks n GLU 53 N -0.19 1.06 -4.17 0.54 1.02 -1.26 -4.68 120.64 112.96 2kks n GLU 53 Ca 0.14 -0.84 -0.18 0.00 -0.02 0.00 0.00 57.16 56.25 2kks n GLU 53 Cb 0.19 -0.77 -0.12 0.00 -0.02 0.00 0.00 31.44 30.72 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 -0.40 1.22 0.20 -0.32 3.76 -1.22 -4.37 115.29 114.16 2kks s HIS 54 Ca 0.00 -0.46 0.10 0.00 -0.15 0.00 0.00 55.06 54.55 2kks s HIS 54 Cb 0.00 -0.69 -0.04 0.00 1.11 0.00 0.00 32.58 32.96 2kks s HIS 54 CO 0.00 0.06 -0.19 -0.59 -0.85 0.00 0.00 174.74 173.17 2kks s PHE 55 N -1.27 1.98 -0.07 1.40 -0.71 -1.26 -4.05 117.98 114.00 2kks s PHE 55 Ca -0.02 -0.44 -0.18 0.00 -1.04 0.00 0.00 56.93 55.25 2kks s PHE 55 Cb -0.10 -0.94 -0.05 0.00 -1.21 0.00 0.00 43.02 40.72 2kks s PHE 55 CO 0.02 0.45 0.50 -1.12 -1.34 0.00 0.00 175.22 173.73 2kks s SER 56 N -2.96 6.78 -0.32 1.98 0.01 -1.26 -4.76 113.70 113.16 2kks s SER 56 Ca 0.21 0.93 0.03 0.00 1.31 0.00 0.00 55.95 58.43 2kks s SER 56 Cb -0.05 -2.30 0.16 0.00 0.21 0.00 0.00 66.02 64.04 2kks s SER 56 CO 0.09 0.07 0.43 -0.32 0.41 0.00 0.00 173.24 173.92 2kks s MET 57 N 0.19 0.52 -0.07 12.44 0.00 -1.26 -4.43 119.30 126.69 2kks s MET 57 Ca 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 55.69 55.80 2kks s MET 57 Cb -0.16 -0.34 -0.03 0.00 0.00 0.00 0.00 34.83 34.30 2kks s MET 57 CO 0.13 -1.10 0.01 0.34 0.00 0.00 0.00 175.02 174.40 2kks s ASP 58 N 2.19 5.24 0.23 1.11 2.15 -1.26 -5.03 116.67 121.31 2kks s ASP 58 Ca 0.12 0.12 -0.07 0.00 0.43 0.00 0.00 52.55 53.15 2kks s ASP 58 Cb -0.12 -1.46 0.24 0.00 -0.30 0.00 0.00 42.92 41.28 2kks s ASP 58 CO -0.21 0.36 1.90 1.55 -0.17 0.00 0.00 175.17 178.60 2kks h PRO 59 N 4.99 1.13 -0.26 4.34 0.13 -2.01 0.10 132.00 140.42 2kks h PRO 59 Ca -0.51 -0.07 -0.19 0.00 -0.87 0.00 0.00 66.00 64.37 2kks h PRO 59 Cb 1.19 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2kks h PRO 59 CO 0.55 0.75 -0.59 0.00 -0.23 0.00 0.00 178.00 178.48 2kks h ARG 60 N 1.16 0.85 -0.51 0.86 -0.00 -1.99 -0.27 114.38 114.48 2kks h ARG 60 Ca 0.34 -0.56 -0.02 0.00 -0.50 0.00 0.00 59.98 59.24 2kks h ARG 60 Cb -0.07 0.08 -0.02 0.00 0.00 0.00 0.00 29.97 29.96 2kks h ARG 60 CO -0.09 1.19 0.26 0.93 0.00 0.00 0.00 179.97 182.25 2kks h GLU 61 N 0.64 0.73 -0.01 0.04 4.39 -1.90 -1.48 114.58 116.99 2kks h GLU 61 Ca 0.00 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 2kks h GLU 61 Cb 1.20 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.71 2kks h GLU 61 CO 0.13 0.60 0.00 1.96 -1.16 0.00 0.00 179.01 180.54 2kks h GLN 62 N 0.68 0.01 -0.63 2.33 4.20 -0.66 -2.10 115.11 118.94 2kks h GLN 62 Ca 0.18 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 2kks h GLN 62 Cb 0.10 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 2kks h GLN 62 CO -0.02 0.04 0.41 1.25 -0.67 0.00 0.00 178.83 179.84 2kks h LEU 63 N -0.03 0.73 -1.02 1.46 5.85 -0.92 -0.19 115.31 121.19 2kks h LEU 63 Ca 0.00 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 2kks h LEU 63 Cb 0.03 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 2kks h LEU 63 CO -0.00 0.54 0.15 0.74 -0.34 0.00 0.00 178.44 179.52 2kks h THR 64 N 0.86 1.23 -0.10 1.05 2.02 -1.17 0.30 112.91 117.09 2kks h THR 64 Ca 0.23 -0.81 -0.10 0.00 0.77 0.00 0.00 66.41 66.51 2kks h THR 64 Cb -0.09 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 2kks h THR 64 CO -0.05 0.30 -0.31 0.00 0.37 0.00 0.00 175.52 175.83 2kks h ALA 65 N 1.34 0.17 -0.31 6.16 0.00 -0.75 -2.96 119.26 122.91 2kks h ALA 65 Ca 0.18 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 2kks h ALA 65 Cb 0.28 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2kks h ALA 65 CO -0.00 0.21 -0.11 0.28 0.00 0.00 0.00 179.25 179.63 2kks h VAL 66 N -0.05 1.23 -0.45 0.00 2.07 -0.92 -1.17 116.25 116.96 2kks h VAL 66 Ca -0.01 -1.00 0.02 0.00 0.82 0.00 0.00 66.70 66.53 2kks h VAL 66 Cb 0.93 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 2kks h VAL 66 CO 0.07 0.33 0.26 0.50 0.02 0.00 0.00 177.57 178.75 2kks h LYS 67 N 0.48 0.51 -0.26 1.57 3.64 -0.92 0.17 116.57 121.76 2kks h LYS 67 Ca 0.09 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.31 2kks h LYS 67 Cb 0.48 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2kks h LYS 67 CO 0.03 0.34 -0.34 0.22 -2.27 0.00 0.00 179.45 177.42 2kks h ASP 68 N 0.53 0.76 -0.19 4.20 1.82 -1.34 -3.13 116.42 119.07 2kks h ASP 68 Ca 0.18 -0.50 0.01 0.00 -0.39 0.00 0.00 57.03 56.33 2kks h ASP 68 Cb 0.02 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 39.80 2kks h ASP 68 CO -0.09 1.11 0.11 -0.03 -1.61 0.00 0.00 179.24 178.73 2kks h MET 69 N 0.43 0.22 0.00 0.28 4.05 -0.76 -2.26 114.93 116.88 2kks h MET 69 Ca 0.03 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.38 2kks h MET 69 Cb 0.93 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.67 2kks h MET 69 CO 0.08 0.14 -0.26 0.07 0.23 0.00 0.00 176.91 177.18 2kks h ARG 70 N 0.22 0.00 -0.49 0.39 0.11 -0.75 -2.10 114.38 111.76 2kks h ARG 70 Ca 0.07 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 60.03 2kks h ARG 70 Cb -0.00 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.06 2kks h ARG 70 CO -0.03 0.26 -0.17 -0.22 0.10 0.00 0.00 179.97 179.90 2kks h LYS 71 N 0.00 0.96 0.00 0.08 3.64 -1.36 -2.65 116.57 117.24 2kks h LYS 71 Ca -0.00 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 2kks h LYS 71 Cb 0.60 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2kks h LYS 71 CO 0.03 1.05 0.00 0.09 -2.27 0.00 0.00 179.45 178.35 2kks n ASN 72 N -4.12 0.43 0.00 4.20 3.02 -0.83 -4.87 115.26 113.08 2kks n ASN 72 Ca 0.01 0.57 0.00 0.00 -0.03 0.00 0.00 54.58 55.13 2kks n ASN 72 Cb 0.43 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 38.92 2kks n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kks n GLY 73 N 0.62 0.77 3.83 7.41 0.00 -1.00 -5.07 105.19 111.75 2kks n GLY 73 Ca 0.04 -0.24 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 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 2.18 0.33 1.61 0.51 -0.95 -4.99 118.94 115.63 2kks s TRP 74 Ca 0.00 -0.70 0.05 0.00 -2.12 0.00 0.00 56.10 53.33 2kks s TRP 74 Cb 0.00 -1.96 -0.07 0.00 -0.81 0.00 0.00 33.47 30.63 2kks s TRP 74 CO 0.00 -0.14 0.03 0.14 -0.51 0.00 0.00 176.95 176.47 2kks s VAL 75 N -2.66 1.44 -0.39 4.03 -7.23 0.41 -3.90 120.40 112.10 2kks s VAL 75 Ca 0.37 -2.02 -0.26 0.00 -1.81 0.00 0.00 61.98 58.26 2kks s VAL 75 Cb -0.00 -2.78 0.02 0.00 0.56 0.00 0.00 36.38 34.18 2kks s VAL 75 CO 0.22 -0.05 0.92 -0.32 -0.31 0.00 0.00 175.10 175.56 2kks s MET 76 N -3.83 3.77 0.11 4.82 1.75 -1.26 -1.77 119.30 122.89 2kks s MET 76 Ca 0.35 0.48 0.05 0.00 -1.25 0.00 0.00 55.69 55.32 2kks s MET 76 Cb 0.08 -3.83 -0.23 0.00 2.84 0.00 0.00 34.83 33.70 2kks s MET 76 CO 0.15 -1.01 1.24 -0.07 -0.65 0.00 0.00 175.02 174.68 2kks h LEU 77 N 10.18 0.09 0.00 4.11 3.38 -1.71 -3.49 115.31 127.86 2kks h LEU 77 Ca -0.23 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2kks h LEU 77 Cb 1.08 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2kks h LEU 77 CO 0.99 1.07 0.00 0.61 0.09 0.00 0.00 178.44 181.20 2kks n GLY 78 N 1.39 -0.54 3.37 0.83 0.00 -1.23 -1.42 105.19 107.59 2kks n GLY 78 Ca -0.02 -0.52 -0.16 0.00 0.00 0.00 0.00 46.02 45.32 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 1.09 0.02 1.61 2.20 -0.76 -1.54 114.94 113.56 2kks s ASN 79 Ca 0.00 -1.56 -0.01 0.00 -0.94 0.00 0.00 52.86 50.34 2kks s ASN 79 Cb 0.00 0.58 -0.02 0.00 -2.00 0.00 0.00 41.25 39.81 2kks s ASN 79 CO 0.00 -1.14 0.00 0.72 -2.94 0.00 0.00 177.10 173.75 2kks s PHE 80 N -3.39 0.22 -0.25 1.54 -0.71 -1.21 -0.59 117.98 113.58 2kks s PHE 80 Ca 0.35 -0.46 -0.18 0.00 -1.04 0.00 0.00 56.93 55.61 2kks s PHE 80 Cb 0.02 -0.16 0.07 0.00 -1.21 0.00 0.00 43.02 41.73 2kks s PHE 80 CO 0.22 -0.21 0.64 -3.38 -1.34 0.00 0.00 175.22 171.15 2kks s HIS 81 N -1.45 -0.86 0.16 3.49 -3.43 0.06 -2.44 115.29 110.81 2kks s HIS 81 Ca -0.16 1.87 0.08 0.00 -0.80 0.00 0.00 55.06 56.05 2kks s HIS 81 Cb -0.09 0.42 -0.04 0.00 -1.43 0.00 0.00 32.58 31.44 2kks s HIS 81 CO -0.01 -0.43 -0.06 -1.54 -2.00 0.00 0.00 174.74 170.71 2kks s SER 82 N 1.05 4.50 -0.04 7.38 1.04 -1.08 -3.15 113.70 123.40 2kks s SER 82 Ca -0.06 -0.46 -0.02 0.00 0.48 0.00 0.00 55.95 55.89 2kks s SER 82 Cb -0.05 -0.87 -0.04 0.00 0.10 0.00 0.00 66.02 65.16 2kks s SER 82 CO -0.10 0.11 0.10 -1.00 0.98 0.00 0.00 173.24 173.33 2kks s HIS 83 N -1.62 3.37 0.04 5.02 3.76 0.87 -3.45 115.29 123.29 2kks s HIS 83 Ca 0.25 0.29 -0.28 0.00 -0.15 0.00 0.00 55.06 55.17 2kks s HIS 83 Cb -0.09 -1.80 -0.17 0.00 1.11 0.00 0.00 32.58 31.63 2kks s HIS 83 CO 0.16 0.59 1.44 -1.35 -0.85 0.00 0.00 174.74 174.73 2kks h PRO 84 N 4.37 -0.56 0.00 8.40 0.11 -1.86 -1.65 132.00 140.81 2kks h PRO 84 Ca -0.50 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2kks h PRO 84 Cb 1.19 0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2kks h PRO 84 CO 0.61 -0.30 -0.15 0.00 -0.21 0.00 0.00 178.00 177.96 2kks n ALA 85 N -2.44 1.45 -2.83 -0.75 0.00 -1.26 -3.96 120.51 110.70 2kks n ALA 85 Ca -0.11 -0.49 -0.24 0.00 0.00 0.00 0.00 53.44 52.60 2kks n ALA 85 Cb 0.28 -0.15 -0.05 0.00 0.00 0.00 0.00 19.45 19.54 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 4.62 0.96 0.00 -4.23 -1.26 -4.41 115.64 111.32 2kks s THR 86 Ca 0.00 -1.15 -0.11 0.00 -1.18 0.00 0.00 61.69 59.25 2kks s THR 86 Cb 0.00 -3.42 0.17 0.00 1.34 0.00 0.00 72.50 70.59 2kks s THR 86 CO 0.00 -0.21 1.10 -2.16 -0.54 0.00 0.00 174.62 172.81 2kks s PRO 87 N -3.44 0.66 -0.87 3.99 0.04 -1.26 -4.34 135.00 129.78 2kks s PRO 87 Ca 0.32 1.20 -0.25 0.00 0.04 0.00 0.00 61.00 62.31 2kks s PRO 87 Cb -0.09 -1.71 0.03 0.00 0.04 0.00 0.00 34.50 32.77 2kks s PRO 87 CO 0.25 -2.76 1.41 0.00 0.04 0.00 0.00 177.00 175.94 2kks s ALA 88 N -2.67 2.66 0.02 8.56 0.00 -1.26 -4.88 121.76 124.19 2kks s ALA 88 Ca 0.66 -1.75 -0.09 0.00 0.00 0.00 0.00 51.96 50.78 2kks s ALA 88 Cb -0.22 -4.40 0.00 0.00 0.00 0.00 0.00 23.12 18.51 2kks s ALA 88 CO 0.59 -3.53 0.18 1.03 0.00 0.00 0.00 175.76 174.03 2kks s ARG 89 N 5.51 0.63 0.12 0.00 0.52 -1.26 -5.00 118.95 119.47 2kks s ARG 89 Ca 0.43 -0.54 -0.32 0.00 -0.52 0.00 0.00 55.73 54.78 2kks s ARG 89 Cb -0.04 0.26 -0.12 0.00 0.52 0.00 0.00 34.95 35.57 2kks s ARG 89 CO 0.03 -0.17 1.76 -0.35 0.02 0.00 0.00 175.30 176.59 2kks n PRO 90 N 0.95 2.55 -2.09 3.54 -0.04 -1.26 -4.96 135.00 133.69 2kks n PRO 90 Ca -0.20 0.92 -0.34 0.00 -0.04 0.00 0.00 63.50 63.84 2kks n PRO 90 Cb 0.58 -2.77 0.02 0.00 -0.04 0.00 0.00 33.50 31.28 2kks n PRO 90 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2kks s SER 91 N 2.14 5.50 0.12 3.54 0.15 -1.26 -4.84 113.70 119.04 2kks s SER 91 Ca 0.81 2.13 -0.18 0.00 0.70 0.00 0.00 55.95 59.41 2kks s SER 91 Cb -0.56 -2.57 -0.05 0.00 -1.71 0.00 0.00 66.02 61.12 2kks s SER 91 CO 0.38 -1.37 1.70 0.00 1.20 0.00 0.00 173.24 175.15 2kks h ALA 92 N 0.81 0.35 -0.20 5.45 0.00 -1.93 0.98 119.26 124.73 2kks h ALA 92 Ca -0.49 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.22 2kks h ALA 92 Cb 1.26 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2kks h ALA 92 CO 0.56 -0.10 -0.35 1.49 0.00 0.00 0.00 179.25 180.85 2kks h GLU 93 N 0.31 0.43 -0.29 0.00 4.57 -1.93 -2.52 114.58 115.15 2kks h GLU 93 Ca 0.09 -0.19 -0.00 0.00 -1.18 0.00 0.00 59.36 58.08 2kks h GLU 93 Cb 0.10 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 2kks h GLU 93 CO -0.01 0.72 0.17 0.22 -1.18 0.00 0.00 179.01 178.93 2kks h ASP 94 N 0.36 0.35 0.13 1.04 3.58 -1.61 0.15 116.42 120.43 2kks h ASP 94 Ca 0.04 -0.06 -0.05 0.00 0.42 0.00 0.00 57.03 57.38 2kks h ASP 94 Cb 0.79 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.74 2kks h ASP 94 CO 0.06 0.31 -0.19 0.50 -2.88 0.00 0.00 179.24 177.05 2kks h LYS 95 N 0.37 0.12 -0.26 0.28 3.11 -0.73 0.32 116.57 119.78 2kks h LYS 95 Ca 0.10 -0.03 -0.19 0.00 -2.81 0.00 0.00 60.65 57.73 2kks h LYS 95 Cb 0.03 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.24 2kks h LYS 95 CO -0.02 0.31 -0.57 0.00 -2.81 0.00 0.00 179.45 176.36 2kks h ARG 96 N 0.11 0.83 0.00 1.90 2.47 -0.90 -3.12 114.38 115.66 2kks h ARG 96 Ca 0.02 -0.54 0.00 0.00 -1.26 0.00 0.00 59.98 58.20 2kks h ARG 96 Cb 0.40 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.79 2kks h ARG 96 CO 0.03 1.17 -0.21 1.28 0.56 0.00 0.00 179.97 182.79 2kks n LEU 97 N -3.99 0.41 -4.35 3.04 4.77 0.46 -4.51 117.00 112.83 2kks n LEU 97 Ca -0.04 0.36 -0.39 0.00 -0.03 0.00 0.00 56.01 55.91 2kks n LEU 97 Cb 0.64 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 2kks n LEU 97 CO 0.50 -0.02 2.00 0.00 -1.33 0.00 0.00 177.39 178.54 2kks n ALA 98 N -1.62 3.46 0.98 -1.18 0.00 0.06 -4.58 120.51 117.63 2kks n ALA 98 Ca 0.06 -3.61 0.12 0.00 0.00 0.00 0.00 53.44 50.01 2kks n ALA 98 Cb 0.38 -3.57 0.25 0.00 0.00 0.00 0.00 19.45 16.51 2kks n ALA 98 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2kks n PHE 99 N 9.35 0.02 -2.47 0.00 3.72 -1.26 -4.88 117.46 121.95 2kks n PHE 99 Ca 0.49 0.01 -0.38 0.00 -0.05 0.00 0.00 57.45 57.52 2kks n PHE 99 Cb 0.44 -0.27 -0.04 0.00 -0.94 0.00 0.00 39.48 38.68 2kks n PHE 99 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2kks s ASP 100 N -3.06 6.81 0.07 4.37 1.11 -1.26 -4.99 116.67 119.73 2kks s ASP 100 Ca 0.11 2.16 -0.34 0.00 0.18 0.00 0.00 52.55 54.66 2kks s ASP 100 Cb 0.17 -2.60 -0.19 0.00 1.07 0.00 0.00 42.92 41.37 2kks s ASP 100 CO 0.70 -0.46 1.61 1.55 1.18 0.00 0.00 175.17 179.75 2kks h PRO 101 N 2.82 -0.97 0.00 8.23 0.13 -1.89 -3.42 132.00 136.90 2kks h PRO 101 Ca -0.48 0.07 -0.20 0.00 -0.87 0.00 0.00 66.00 64.51 2kks h PRO 101 Cb 1.22 0.22 -0.14 0.00 0.13 0.00 0.00 31.00 32.43 2kks h PRO 101 CO 0.63 -0.65 -0.29 0.43 -0.23 0.00 0.00 178.00 177.89 2kks n SER 102 N -5.53 -1.98 -4.87 1.44 7.64 -1.26 -4.59 113.62 104.47 2kks n SER 102 Ca -0.14 -2.97 -0.31 0.00 1.01 0.00 0.00 58.87 56.46 2kks n SER 102 Cb 0.41 1.53 -0.01 0.00 -1.01 0.00 0.00 64.21 65.12 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 -2.32 3.51 -0.63 -3.43 1.43 -1.26 -4.97 118.68 111.01 2kks s LEU 103 Ca 0.20 1.35 -0.28 0.00 -1.03 0.00 0.00 54.13 54.37 2kks s LEU 103 Cb 0.30 -4.32 0.03 0.00 0.03 0.00 0.00 46.19 42.23 2kks s LEU 103 CO -0.08 -0.66 1.21 -0.44 0.23 0.00 0.00 176.35 176.61 2kks s SER 104 N -3.66 6.36 -0.30 2.29 0.01 -0.51 -4.56 113.70 113.33 2kks s SER 104 Ca 0.54 -0.06 -0.13 0.00 1.31 0.00 0.00 55.95 57.62 2kks s SER 104 Cb -0.10 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 2kks s SER 104 CO 0.42 -1.58 0.25 -0.31 0.41 0.00 0.00 173.24 172.43 2kks s TYR 105 N 5.16 3.23 -0.16 2.43 2.02 -1.02 -1.83 117.35 127.18 2kks s TYR 105 Ca 0.40 0.09 -0.10 0.00 -0.37 0.00 0.00 57.07 57.10 2kks s TYR 105 Cb -0.08 -2.47 -0.05 0.00 -0.40 0.00 0.00 41.96 38.97 2kks s TYR 105 CO 0.22 -0.24 0.17 -0.51 -1.57 0.00 0.00 175.55 173.62 2kks s LEU 106 N 1.84 4.29 -0.12 -1.29 1.02 0.24 0.14 118.68 124.80 2kks s LEU 106 Ca 0.09 0.38 -0.00 0.00 0.02 0.00 0.00 54.13 54.62 2kks s LEU 106 Cb -0.16 -2.14 0.02 0.00 0.02 0.00 0.00 46.19 43.93 2kks s LEU 106 CO 0.11 0.26 -0.08 -0.63 0.02 0.00 0.00 176.35 176.02 2kks s ILE 107 N -0.18 1.09 -0.14 -0.59 1.01 0.67 -0.76 121.20 122.30 2kks s ILE 107 Ca 0.12 -0.33 -0.05 0.00 0.00 0.00 0.00 60.65 60.39 2kks s ILE 107 Cb -0.12 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.22 2kks s ILE 107 CO 0.02 0.38 0.04 -0.63 0.00 0.00 0.00 174.94 174.75 2kks s ILE 108 N 1.68 4.65 -0.33 2.92 1.01 -1.19 -1.41 121.20 128.54 2kks s ILE 108 Ca 0.05 -0.10 -0.12 0.00 0.00 0.00 0.00 60.65 60.48 2kks s ILE 108 Cb -0.13 -3.04 -0.02 0.00 0.01 0.00 0.00 42.46 39.29 2kks s ILE 108 CO -0.09 0.54 0.21 -0.55 0.00 0.00 0.00 174.94 175.05 2kks s SER 109 N -0.25 5.91 -0.20 3.58 0.15 0.12 -0.09 113.70 122.91 2kks s SER 109 Ca 0.07 -0.44 0.09 0.00 0.70 0.00 0.00 55.95 56.37 2kks s SER 109 Cb -0.12 -2.10 0.58 0.00 -1.71 0.00 0.00 66.02 62.67 2kks s SER 109 CO 0.02 -0.22 1.46 0.18 1.20 0.00 0.00 173.24 175.88 2kks n LEU 110 N 5.07 4.72 -0.34 3.45 7.99 -0.62 -2.21 117.00 135.06 2kks n LEU 110 Ca -0.13 -2.42 0.06 0.00 -0.01 0.00 0.00 56.01 53.51 2kks n LEU 110 Cb 0.50 -0.66 0.25 0.00 -0.11 0.00 0.00 43.42 43.39 2kks n LEU 110 CO 0.36 0.60 1.24 0.00 -1.51 0.00 0.00 177.39 178.08 2kks h ALA 111 N 3.03 1.54 -3.19 -1.18 0.00 -1.76 -3.08 119.26 114.62 2kks h ALA 111 Ca 0.09 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.34 2kks h ALA 111 Cb 1.74 -0.23 -0.38 0.00 0.00 0.00 0.00 17.79 18.92 2kks h ALA 111 CO 0.45 0.25 -0.45 -2.00 0.00 0.00 0.00 179.25 177.50 2kks s GLU 112 N -5.93 2.45 0.24 0.00 2.56 -1.26 -4.93 118.70 111.83 2kks s GLU 112 Ca -0.12 -2.81 0.18 0.00 0.00 0.00 0.00 54.97 52.22 2kks s GLU 112 Cb 0.21 -3.57 0.90 0.00 2.00 0.00 0.00 34.13 33.67 2kks s GLU 112 CO 0.81 -1.18 1.54 -2.30 -0.56 0.00 0.00 175.26 173.56 2kks n PRO 113 N 2.94 0.12 0.04 4.30 -0.02 -1.17 -0.55 135.00 140.66 2kks n PRO 113 Ca 0.11 0.56 -0.09 0.00 -2.02 0.00 0.00 63.50 62.05 2kks n PRO 113 Cb 0.35 -1.84 0.04 0.00 -0.02 0.00 0.00 33.50 32.03 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 0.43 -2.23 -0.52 4.20 -1.92 -3.40 115.11 111.67 2kks h GLN 114 Ca 0.00 -0.33 -0.50 0.00 0.06 0.00 0.00 58.65 57.88 2kks h GLN 114 Cb 0.08 0.06 -0.35 0.00 0.30 0.00 0.00 27.48 27.57 2kks h GLN 114 CO 0.00 0.95 -0.83 0.15 -0.67 0.00 0.00 178.83 178.44 2kks s LYS 115 N -3.71 0.73 0.07 1.46 -0.14 0.28 -5.12 119.74 113.31 2kks s LYS 115 Ca -0.06 -1.47 -0.31 0.00 -1.36 0.00 0.00 55.97 52.78 2kks s LYS 115 Cb 0.11 -1.10 -0.08 0.00 -1.68 0.00 0.00 37.83 35.08 2kks s LYS 115 CO 0.84 -1.28 1.65 -2.14 -0.76 0.00 0.00 175.35 173.66 2kks s PRO 116 N 0.79 4.20 -0.18 -1.68 0.02 -1.16 -4.66 135.00 132.33 2kks s PRO 116 Ca 0.24 2.33 -0.19 0.00 0.02 0.00 0.00 61.00 63.40 2kks s PRO 116 Cb -0.10 -3.59 -0.03 0.00 0.02 0.00 0.00 34.50 30.80 2kks s PRO 116 CO -0.08 -0.73 0.56 0.08 -0.33 0.00 0.00 177.00 176.50 2kks s VAL 117 N 2.61 5.09 -0.12 3.83 1.01 -0.94 -4.89 120.40 126.98 2kks s VAL 117 Ca 0.74 1.06 -0.01 0.00 0.00 0.00 0.00 61.98 63.76 2kks s VAL 117 Cb -0.40 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.07 2kks s VAL 117 CO 0.32 0.18 -0.07 0.00 0.00 0.00 0.00 175.10 175.53 2kks s LYS 119 N -0.02 0.92 -0.04 0.00 1.02 -0.50 -5.00 119.74 116.11 2kks s LYS 119 Ca -0.00 -1.41 0.04 0.00 0.02 0.00 0.00 55.97 54.62 2kks s LYS 119 Cb -0.14 -0.11 -0.00 0.00 -0.52 0.00 0.00 37.83 37.06 2kks s LYS 119 CO 0.03 -0.10 -0.17 0.45 -0.92 0.00 0.00 175.35 174.64 2kks s SER 120 N -3.07 2.10 -0.02 2.83 0.15 -1.25 -0.24 113.70 114.20 2kks s SER 120 Ca 0.17 -0.34 0.06 0.00 0.70 0.00 0.00 55.95 56.54 2kks s SER 120 Cb 0.06 -0.58 -0.01 0.00 -1.71 0.00 0.00 66.02 63.78 2kks s SER 120 CO -0.01 0.15 -0.20 -0.36 1.20 0.00 0.00 173.24 174.01 2kks s PHE 121 N 0.04 1.84 -0.36 3.44 0.08 0.12 -0.75 117.98 122.39 2kks s PHE 121 Ca -0.04 -0.37 -0.09 0.00 0.12 0.00 0.00 56.93 56.55 2kks s PHE 121 Cb -0.11 -1.19 0.03 0.00 -0.57 0.00 0.00 43.02 41.18 2kks s PHE 121 CO 0.02 -0.05 0.17 -0.51 -0.10 0.00 0.00 175.22 174.75 2kks s LEU 122 N -0.43 4.56 -0.33 -0.37 1.43 0.18 -2.42 118.68 121.30 2kks s LEU 122 Ca 0.07 -1.03 -0.24 0.00 -1.03 0.00 0.00 54.13 51.90 2kks s LEU 122 Cb -0.08 -1.97 0.01 0.00 0.03 0.00 0.00 46.19 44.17 2kks s LEU 122 CO -0.00 -0.36 0.83 -0.63 0.23 0.00 0.00 176.35 176.42 2kks s ILE 123 N 1.50 4.73 0.25 -0.59 1.01 -1.26 0.02 121.20 126.85 2kks s ILE 123 Ca 0.01 1.18 0.03 0.00 0.00 0.00 0.00 60.65 61.87 2kks s ILE 123 Cb -0.19 -4.21 0.03 0.00 0.01 0.00 0.00 42.46 38.10 2kks s ILE 123 CO 0.05 -0.34 0.27 0.29 0.00 0.00 0.00 174.94 175.21 2kks n LYS 124 N 6.38 0.98 0.00 2.79 5.02 0.43 -4.51 118.16 129.26 2kks n LYS 124 Ca 0.05 -1.42 -0.09 0.00 -2.02 0.00 0.00 58.31 54.82 2kks n LYS 124 Cb 0.48 0.02 -0.07 0.00 -0.02 0.00 0.00 35.03 35.44 2kks n LYS 124 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2kks h LYS 125 N 0.00 -0.12 -0.95 1.97 3.11 -1.96 -3.36 116.57 115.27 2kks h LYS 125 Ca -0.13 0.01 0.04 0.00 -2.81 0.00 0.00 60.65 57.76 2kks h LYS 125 Cb 0.55 0.03 -0.06 0.00 -1.00 0.00 0.00 32.23 31.75 2kks h LYS 125 CO 0.20 0.35 0.62 -0.44 -2.81 0.00 0.00 179.45 177.37 2kks h ASP 126 N -0.93 1.02 0.00 4.20 5.19 -2.01 -3.48 116.42 120.41 2kks h ASP 126 Ca -0.01 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 2kks h ASP 126 Cb 0.52 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.81 2kks h ASP 126 CO 0.02 0.69 0.00 0.61 -3.12 0.00 0.00 179.24 177.44 2kks n GLY 127 N -1.35 1.28 3.14 2.75 0.00 -1.26 -5.15 105.19 104.59 2kks n GLY 127 Ca 0.13 0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 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 0.62 1.35 0.13 1.61 0.11 -1.26 -0.43 120.40 122.52 2kks s VAL 128 Ca 0.00 -0.70 0.06 0.00 -2.93 0.00 0.00 61.98 58.41 2kks s VAL 128 Cb 0.00 -1.14 -0.04 0.00 -1.53 0.00 0.00 36.38 33.67 2kks s VAL 128 CO 0.00 0.38 -0.02 -0.62 -3.33 0.00 0.00 175.10 171.52 2kks s ASP 129 N -0.21 4.82 -0.16 3.54 2.15 0.10 -4.94 116.67 121.97 2kks s ASP 129 Ca 0.02 -0.30 -0.14 0.00 0.43 0.00 0.00 52.55 52.56 2kks s ASP 129 Cb -0.08 -1.06 -0.05 0.00 -0.30 0.00 0.00 42.92 41.43 2kks s ASP 129 CO 0.00 0.14 0.30 -1.83 -0.17 0.00 0.00 175.17 173.62 2kks s GLU 130 N -2.55 4.26 -0.22 4.34 -1.05 -1.26 0.50 118.70 122.72 2kks s GLU 130 Ca 0.26 0.11 -0.10 0.00 -0.15 0.00 0.00 54.97 55.09 2kks s GLU 130 Cb -0.11 -3.43 -0.05 0.00 -0.44 0.00 0.00 34.13 30.10 2kks s GLU 130 CO 0.18 0.22 0.13 -2.00 0.95 0.00 0.00 175.26 174.74 2kks s GLU 131 N 0.52 4.04 0.16 -4.83 2.56 0.07 -4.89 118.70 116.33 2kks s GLU 131 Ca 0.17 -0.29 -0.29 0.00 0.00 0.00 0.00 54.97 54.56 2kks s GLU 131 Cb -0.13 -3.45 -0.07 0.00 2.00 0.00 0.00 34.13 32.48 2kks s GLU 131 CO 0.04 0.12 0.90 -1.21 -0.56 0.00 0.00 175.26 174.55 2kks s GLU 132 N 0.87 4.71 -0.15 4.30 0.41 -1.26 -3.79 118.70 123.79 2kks s GLU 132 Ca 0.07 1.37 -0.03 0.00 -0.41 0.00 0.00 54.97 55.97 2kks s GLU 132 Cb -0.13 -3.32 -0.03 0.00 -1.78 0.00 0.00 34.13 28.87 2kks s GLU 132 CO 0.03 0.39 -0.05 0.42 -0.49 0.00 0.00 175.26 175.56 2kks s ILE 133 N -0.60 3.79 -0.16 -1.63 1.01 -1.26 -0.66 121.20 121.69 2kks s ILE 133 Ca 0.42 -0.39 -0.04 0.00 0.00 0.00 0.00 60.65 60.64 2kks s ILE 133 Cb -0.24 -2.65 -0.03 0.00 0.01 0.00 0.00 42.46 39.55 2kks s ILE 133 CO 0.29 0.50 -0.03 -0.63 0.00 0.00 0.00 174.94 175.07 2kks s ILE 134 N 0.36 3.88 -0.14 2.92 -1.09 0.09 -5.00 121.20 122.22 2kks s ILE 134 Ca -0.05 -0.36 -0.06 0.00 -2.23 0.00 0.00 60.65 57.96 2kks s ILE 134 Cb -0.14 -2.71 -0.04 0.00 -1.58 0.00 0.00 42.46 37.99 2kks s ILE 134 CO 0.03 0.48 0.06 -0.76 -1.23 0.00 0.00 174.94 173.53 2kks s LEU 135 N 0.50 3.89 0.12 2.97 1.43 -1.26 -1.07 118.68 125.26 2kks s LEU 135 Ca -0.03 0.19 -0.06 0.00 -1.03 0.00 0.00 54.13 53.20 2kks s LEU 135 Cb -0.14 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 2kks s LEU 135 CO 0.03 0.28 0.15 -0.54 0.23 0.00 0.00 176.35 176.50 2kks s LYS 136 N -0.29 0.93 0.04 1.70 -0.14 -0.92 -5.00 119.74 116.06 2kks s LYS 136 Ca 0.08 -1.19 0.17 0.00 -1.36 0.00 0.00 55.97 53.67 2kks s LYS 136 Cb -0.12 0.31 -0.15 0.00 -1.68 0.00 0.00 37.83 36.19 2kks s LYS 136 CO 0.02 -0.29 0.77 0.39 -0.76 0.00 0.00 175.35 175.47 2kks n GLU 137 N -0.09 0.62 -3.80 1.68 -0.58 -1.26 -1.29 120.64 115.91 2kks n GLU 137 Ca -0.10 0.21 -0.37 0.00 -0.42 0.00 0.00 57.16 56.49 2kks n GLU 137 Cb 0.63 -1.79 -0.06 0.00 -0.57 0.00 0.00 31.44 29.64 2kks n GLU 137 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2kks s GLU 138 N -2.89 3.64 0.00 3.49 -1.05 -1.26 -4.76 118.70 115.87 2kks s GLU 138 Ca -0.03 -0.08 0.00 0.00 -0.15 0.00 0.00 54.97 54.70 2kks s GLU 138 Cb 0.09 -3.24 0.00 0.00 -0.44 0.00 0.00 34.13 30.54 2kks s GLU 138 CO 0.82 0.67 0.00 1.28 0.95 0.00 0.00 175.26 178.98 2kks n LEU 139 N 2.28 0.00 -1.00 1.83 4.77 -1.26 -4.89 117.00 118.74 2kks n LEU 139 Ca -0.18 -0.01 0.04 0.00 -0.03 0.00 0.00 56.01 55.83 2kks n LEU 139 Cb 0.54 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.60 2kks n LEU 139 CO 0.33 -0.47 -0.36 1.21 -1.33 0.00 0.00 177.39 176.77 2kks n GLU 140 N -0.95 -2.50 0.00 3.23 4.07 -1.26 -5.05 120.64 118.17 2kks n GLU 140 Ca 0.00 1.98 0.00 0.00 -0.06 0.00 0.00 57.16 59.08 2kks n GLU 140 Cb 0.00 -2.60 0.00 0.00 -0.06 0.00 0.00 31.44 28.78 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 -2.74 -0.20 -2.53 4.31 8.25 -1.26 -5.01 115.22 116.04 2kks n HIS 141 Ca -0.02 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2kks n HIS 141 Cb 0.37 0.06 0.02 0.00 1.12 0.00 0.00 29.99 31.56 2kks n HIS 141 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2kks n HIS 142 N -1.62 -0.30 1.10 4.41 1.44 -1.26 -4.98 115.22 114.00 2kks n HIS 142 Ca 0.00 -0.25 0.12 0.00 -2.01 0.00 0.00 57.72 55.57 2kks n HIS 142 Cb 0.00 0.70 0.14 0.00 0.12 0.00 0.00 29.99 30.95 2kks n HIS 142 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2kks n HIS 143 N -0.23 0.00 -2.03 -1.40 -0.00 -1.26 -5.03 115.22 105.27 2kks n HIS 143 Ca -0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.66 2kks n HIS 143 Cb 0.56 -0.05 -0.02 0.00 -0.00 0.00 0.00 29.99 30.47 2kks n HIS 143 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kks n HIS 144 N -0.33 -2.29 -2.77 1.57 8.25 -1.26 -4.98 115.22 113.41 2kks n HIS 144 Ca 0.10 1.33 -0.30 0.00 -0.26 0.00 0.00 57.72 58.59 2kks n HIS 144 Cb 0.42 -2.74 -0.02 0.00 1.12 0.00 0.00 29.99 28.77 2kks n HIS 144 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2kks n HIS 145 N 0.86 3.67 -1.99 4.41 1.44 -1.26 -5.17 115.22 117.18 2kks n HIS 145 Ca -0.21 -3.52 0.00 0.00 -2.01 0.00 0.00 57.72 51.99 2kks n HIS 145 Cb 0.32 -0.61 0.00 0.00 0.12 0.00 0.00 29.99 29.82 2kks n HIS 145 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11