#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 3.41 -0.16 3.17 2.07 -1.13 -2.94 121.20 125.62 2kks s ILE 2 Ca 0.00 -0.59 0.01 0.00 -1.41 0.00 0.00 60.65 58.66 2kks s ILE 2 Cb 0.00 -2.37 0.02 0.00 0.13 0.00 0.00 42.46 40.24 2kks s ILE 2 CO 0.00 0.59 -0.18 -0.89 -1.91 0.00 0.00 174.94 172.55 2kks s THR 3 N -0.78 1.87 0.18 4.00 2.01 0.92 -0.20 115.64 123.65 2kks s THR 3 Ca 0.12 -0.83 -0.10 0.00 0.31 0.00 0.00 61.69 61.19 2kks s THR 3 Cb -0.11 -1.70 -0.01 0.00 0.01 0.00 0.00 72.50 70.69 2kks s THR 3 CO 0.01 0.51 0.32 -1.48 -0.69 0.00 0.00 174.62 173.29 2kks s LEU 4 N 1.26 0.83 0.37 4.42 0.05 -0.84 -1.16 118.68 123.61 2kks s LEU 4 Ca 0.02 -0.88 -0.03 0.00 0.05 0.00 0.00 54.13 53.30 2kks s LEU 4 Cb -0.13 1.28 -0.04 0.00 -2.05 0.00 0.00 46.19 45.25 2kks s LEU 4 CO -0.10 -0.93 0.63 0.42 -0.55 0.00 0.00 176.35 175.81 2kks s THR 5 N -3.98 5.02 0.28 5.48 -4.23 -1.26 -2.21 115.64 114.73 2kks s THR 5 Ca 0.18 -0.10 -0.01 0.00 -1.18 0.00 0.00 61.69 60.59 2kks s THR 5 Cb 0.03 -3.82 0.28 0.00 1.34 0.00 0.00 72.50 70.32 2kks s THR 5 CO 0.02 -0.58 1.87 0.50 -0.54 0.00 0.00 174.62 175.89 2kks h LYS 6 N 0.86 1.08 -0.29 3.99 3.64 -1.42 -1.57 116.57 122.87 2kks h LYS 6 Ca -0.48 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 58.88 2kks h LYS 6 Cb 1.21 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 32.74 2kks h LYS 6 CO 0.63 0.72 0.04 -0.22 -2.27 0.00 0.00 179.45 178.34 2kks h LYS 7 N 1.11 0.14 -0.72 1.90 1.63 -1.86 0.29 116.57 119.06 2kks h LYS 7 Ca 0.45 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.23 2kks h LYS 7 Cb 0.26 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.82 2kks h LYS 7 CO -0.19 0.09 0.40 1.96 -3.45 0.00 0.00 179.45 178.26 2kks h GLN 8 N 0.14 0.98 -0.19 1.90 1.08 -1.70 0.38 115.11 117.70 2kks h GLN 8 Ca 0.14 -0.10 -0.03 0.00 -1.45 0.00 0.00 58.65 57.20 2kks h GLN 8 Cb 0.16 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.38 2kks h GLN 8 CO -0.20 0.72 -0.01 1.98 -0.95 0.00 0.00 178.83 180.37 2kks h MET 9 N 0.99 0.34 -0.77 1.46 4.05 -0.70 -2.17 114.93 118.14 2kks h MET 9 Ca 0.25 -0.11 0.03 0.00 -0.28 0.00 0.00 59.70 59.59 2kks h MET 9 Cb 0.01 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 30.74 2kks h MET 9 CO -0.04 0.56 0.51 0.93 0.23 0.00 0.00 176.91 179.09 2kks h GLU 10 N 0.09 0.94 -0.81 0.39 5.08 0.21 0.19 114.58 120.67 2kks h GLU 10 Ca 0.05 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2kks h GLU 10 Cb 0.41 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 2kks h GLU 10 CO 0.01 0.62 0.42 0.93 -1.00 0.00 0.00 179.01 180.00 2kks h GLU 11 N 0.97 1.15 -0.44 2.33 4.39 -0.13 0.15 114.58 123.00 2kks h GLU 11 Ca 0.30 -0.15 -0.15 0.00 0.34 0.00 0.00 59.36 59.70 2kks h GLU 11 Cb -0.01 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.41 2kks h GLU 11 CO -0.08 0.86 -0.29 0.52 -1.16 0.00 0.00 179.01 178.86 2kks h MET 12 N 1.14 0.98 -0.49 2.33 2.86 -0.60 -2.27 114.93 118.88 2kks h MET 12 Ca 0.28 -0.46 -0.00 0.00 -2.06 0.00 0.00 59.70 57.46 2kks h MET 12 Cb 0.06 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 2kks h MET 12 CO -0.04 1.13 0.29 -0.07 1.06 0.00 0.00 176.91 179.28 2kks h LEU 13 N 0.82 0.59 -0.90 1.22 3.38 -0.18 0.21 115.31 120.45 2kks h LEU 13 Ca 0.09 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 2kks h LEU 13 Cb 0.88 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 2kks h LEU 13 CO 0.08 0.47 0.23 0.00 0.09 0.00 0.00 178.44 179.31 2kks h ALA 14 N 1.14 1.11 -0.14 1.53 0.00 -0.67 0.73 119.26 122.97 2kks h ALA 14 Ca 0.18 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2kks h ALA 14 Cb -0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2kks h ALA 14 CO -0.03 0.61 -0.44 1.25 0.00 0.00 0.00 179.25 180.64 2kks h HIS 15 N 1.00 0.38 -0.03 0.00 -0.00 -0.97 -1.87 115.15 113.66 2kks h HIS 15 Ca 0.22 -0.11 -0.01 0.00 -0.00 0.00 0.00 60.37 60.48 2kks h HIS 15 Cb 0.26 -0.08 -0.00 0.00 -0.00 0.00 0.00 27.41 27.59 2kks h HIS 15 CO 0.02 0.71 -0.00 0.00 -0.00 0.00 0.00 177.93 178.66 2kks h ALA 16 N 1.27 0.05 -0.28 5.26 0.00 0.15 -1.90 119.26 123.81 2kks h ALA 16 Ca 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2kks h ALA 16 Cb 0.88 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2kks h ALA 16 CO 0.07 -0.28 0.14 0.07 0.00 0.00 0.00 179.25 179.25 2kks h ARG 17 N -0.24 0.37 -0.33 0.00 0.11 -0.82 -1.59 114.38 111.89 2kks h ARG 17 Ca 0.01 -0.03 -0.03 0.00 0.10 0.00 0.00 59.98 60.03 2kks h ARG 17 Cb 0.33 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.32 2kks h ARG 17 CO 0.00 0.29 0.08 0.37 0.10 0.00 0.00 179.97 180.82 2kks h GLN 18 N 0.38 0.52 -0.00 0.08 4.15 -1.19 -3.19 115.11 115.86 2kks h GLN 18 Ca 0.10 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.40 2kks h GLN 18 Cb 0.04 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.66 2kks h GLN 18 CO -0.01 0.57 -0.16 0.00 -1.93 0.00 0.00 178.83 177.30 2kks n ALA 19 N -2.32 2.81 -1.66 3.38 0.00 -0.73 -4.89 120.51 117.10 2kks n ALA 19 Ca -0.02 -0.24 -0.41 0.00 0.00 0.00 0.00 53.44 52.78 2kks n ALA 19 Cb 0.19 -1.33 0.01 0.00 0.00 0.00 0.00 19.45 18.32 2kks n ALA 19 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2kks n LEU 20 N -1.23 3.48 -2.01 0.00 4.77 -0.67 -0.38 117.00 120.95 2kks n LEU 20 Ca 0.10 1.06 -0.20 0.00 -0.03 0.00 0.00 56.01 56.94 2kks n LEU 20 Cb 0.31 -1.44 0.13 0.00 -2.33 0.00 0.00 43.42 40.09 2kks n LEU 20 CO 0.27 -1.04 1.16 -0.81 -1.33 0.00 0.00 177.39 175.64 2kks n PRO 21 N 0.00 2.05 -2.34 3.23 -0.04 -1.26 -5.07 135.00 131.57 2kks n PRO 21 Ca 0.08 -2.43 -0.26 0.00 -0.04 0.00 0.00 63.50 60.86 2kks n PRO 21 Cb 0.40 -1.95 0.05 0.00 -0.04 0.00 0.00 33.50 31.95 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 -0.86 5.20 -0.92 3.54 0.02 0.48 -4.51 114.94 117.90 2kks s ASN 22 Ca 0.46 0.51 -0.22 0.00 -1.02 0.00 0.00 52.86 52.60 2kks s ASN 22 Cb 0.39 -1.34 0.08 0.00 0.02 0.00 0.00 41.25 40.40 2kks s ASN 22 CO 0.07 -1.31 1.25 -1.83 0.02 0.00 0.00 177.10 175.30 2kks s GLU 23 N -5.08 3.50 0.01 -0.60 1.03 -1.16 -4.74 118.70 111.66 2kks s GLU 23 Ca 0.57 -1.25 -0.32 0.00 0.03 0.00 0.00 54.97 53.99 2kks s GLU 23 Cb -0.11 -4.94 -0.11 0.00 -0.80 0.00 0.00 34.13 28.17 2kks s GLU 23 CO 0.44 -1.99 1.88 0.00 -1.33 0.00 0.00 175.26 174.27 2kks n ALA 24 N 7.89 1.39 -2.25 -0.84 0.00 -1.26 -4.64 120.51 120.80 2kks n ALA 24 Ca 0.22 0.28 -0.14 0.00 0.00 0.00 0.00 53.44 53.80 2kks n ALA 24 Cb 0.49 -2.57 -0.10 0.00 0.00 0.00 0.00 19.45 17.28 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 -0.30 1.08 3.35 0.00 0.00 -1.08 -2.86 105.19 105.38 2kks n GLY 26 Ca -0.03 -0.74 -0.23 0.00 0.00 0.00 0.00 46.02 45.02 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 2.42 -0.10 0.99 1.43 0.71 -3.10 118.68 121.02 2kks s LEU 27 Ca 0.00 -0.84 0.02 0.00 -1.03 0.00 0.00 54.13 52.28 2kks s LEU 27 Cb 0.00 -0.93 0.01 0.00 0.03 0.00 0.00 46.19 45.30 2kks s LEU 27 CO 0.00 0.02 -0.16 -0.76 0.23 0.00 0.00 176.35 175.68 2kks s LEU 28 N -2.57 1.76 0.13 1.79 1.43 -0.45 -0.12 118.68 120.65 2kks s LEU 28 Ca 0.16 -0.43 0.07 0.00 -1.03 0.00 0.00 54.13 52.91 2kks s LEU 28 Cb -0.07 -1.09 -0.04 0.00 0.03 0.00 0.00 46.19 45.02 2kks s LEU 28 CO 0.07 0.04 -0.17 -0.83 0.23 0.00 0.00 176.35 175.69 2kks s GLY 29 N 0.86 1.21 0.00 -3.19 0.00 -0.03 -0.22 107.32 105.94 2kks s GLY 29 Ca -0.09 -1.33 0.00 0.00 0.00 0.00 0.00 44.72 43.30 2kks s GLY 29 CO 0.00 -1.36 0.00 0.61 0.00 0.00 0.00 173.10 172.35 2kks n GLY 30 N 0.65 -0.63 3.54 0.20 0.00 -0.33 -1.35 105.19 107.28 2kks n GLY 30 Ca -0.16 0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.26 3.06 -0.07 1.61 0.52 0.41 -1.03 118.95 123.18 2kks s ARG 31 Ca 0.00 -0.55 0.04 0.00 -0.52 0.00 0.00 55.73 54.69 2kks s ARG 31 Cb 0.00 -2.68 0.00 0.00 0.52 0.00 0.00 34.95 32.79 2kks s ARG 31 CO 0.00 0.51 -0.20 0.50 0.02 0.00 0.00 175.30 176.13 2kks s ARG 32 N -0.39 2.36 0.00 3.54 3.52 -1.26 -0.48 118.95 126.24 2kks s ARG 32 Ca 0.06 -0.70 0.00 0.00 -0.13 0.00 0.00 55.73 54.95 2kks s ARG 32 Cb -0.12 -1.89 0.00 0.00 -1.56 0.00 0.00 34.95 31.38 2kks s ARG 32 CO 0.02 0.18 0.00 -3.47 -0.81 0.00 0.00 175.30 171.22 2kks n ASP 33 N 3.45 0.00 -0.22 -2.12 -0.08 -0.49 -4.94 116.55 112.15 2kks n ASP 33 Ca -0.20 0.00 -0.07 0.00 -1.51 0.00 0.00 54.79 53.02 2kks n ASP 33 Cb 0.52 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.97 2kks n ASP 33 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2kks h GLY 34 N 0.00 -0.27 0.00 0.27 0.00 -2.04 -3.36 103.07 97.67 2kks h GLY 34 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.83 2kks h GLY 34 CO 0.00 -0.18 0.00 1.34 0.00 0.00 0.00 176.54 177.70 2kks n ASP 35 N -5.42 0.00 -4.78 0.19 2.03 -1.26 -5.11 116.55 102.20 2kks n ASP 35 Ca 0.03 -0.94 -0.35 0.00 0.52 0.00 0.00 54.79 54.05 2kks n ASP 35 Cb 0.35 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.74 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 0.00 6.09 -0.14 1.67 1.11 -1.26 -4.73 116.67 119.41 2kks s ASP 36 Ca 0.00 2.13 -0.00 0.00 0.18 0.00 0.00 52.55 54.85 2kks s ASP 36 Cb 0.00 -2.58 0.03 0.00 1.07 0.00 0.00 42.92 41.44 2kks s ASP 36 CO 0.00 -0.96 -0.07 -0.13 1.18 0.00 0.00 175.17 175.19 2kks s ARG 37 N -3.06 1.55 -0.24 8.23 1.81 -1.15 -1.40 118.95 124.70 2kks s ARG 37 Ca 0.68 -0.41 -0.01 0.00 -1.72 0.00 0.00 55.73 54.27 2kks s ARG 37 Cb -0.23 -1.84 0.03 0.00 -0.45 0.00 0.00 34.95 32.46 2kks s ARG 37 CO 0.27 -0.35 -0.09 -1.58 -0.68 0.00 0.00 175.30 172.87 2kks s TRP 38 N 1.65 3.03 -0.42 -0.53 0.51 0.36 -0.06 118.94 123.48 2kks s TRP 38 Ca 0.03 -1.64 -0.22 0.00 -2.12 0.00 0.00 56.10 52.14 2kks s TRP 38 Cb -0.14 -2.02 0.02 0.00 -0.81 0.00 0.00 33.47 30.52 2kks s TRP 38 CO -0.08 -0.76 0.72 0.08 -0.51 0.00 0.00 176.95 176.40 2kks s VAL 39 N 1.30 4.75 -0.14 4.03 1.01 -0.31 -0.44 120.40 130.60 2kks s VAL 39 Ca 0.00 0.40 0.16 0.00 0.00 0.00 0.00 61.98 62.54 2kks s VAL 39 Cb -0.16 -4.24 -0.23 0.00 0.00 0.00 0.00 36.38 31.75 2kks s VAL 39 CO -0.06 -0.59 0.13 -0.62 0.00 0.00 0.00 175.10 173.95 2kks n GLU 40 N 6.45 1.06 -4.29 2.72 1.02 -1.07 -4.69 120.64 121.84 2kks n GLU 40 Ca 0.01 -0.04 -0.21 0.00 -0.02 0.00 0.00 57.16 56.89 2kks n GLU 40 Cb 0.48 -1.44 -0.16 0.00 -0.02 0.00 0.00 31.44 30.30 2kks n GLU 40 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2kks s ARG 41 N -2.59 1.07 -0.13 3.49 6.06 -0.45 -5.03 118.95 121.37 2kks s ARG 41 Ca -0.08 -0.20 -0.04 0.00 -2.50 0.00 0.00 55.73 52.92 2kks s ARG 41 Cb 0.06 -0.99 -0.03 0.00 0.06 0.00 0.00 34.95 34.05 2kks s ARG 41 CO 0.72 -0.04 0.00 0.08 -2.50 0.00 0.00 175.30 173.56 2kks s VAL 42 N 0.81 4.26 -0.73 7.11 1.01 -1.26 -0.85 120.40 130.75 2kks s VAL 42 Ca -0.13 -0.24 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 2kks s VAL 42 Cb -0.15 -2.85 0.18 0.00 0.00 0.00 0.00 36.38 33.57 2kks s VAL 42 CO 0.01 0.54 0.57 -0.31 0.00 0.00 0.00 175.10 175.91 2kks s TYR 43 N -0.18 3.58 -0.31 5.22 1.51 0.83 -4.98 117.35 123.02 2kks s TYR 43 Ca 0.05 -2.80 -0.29 0.00 -1.01 0.00 0.00 57.07 53.03 2kks s TYR 43 Cb -0.13 -3.24 -0.02 0.00 -0.11 0.00 0.00 41.96 38.47 2kks s TYR 43 CO 0.02 -0.81 1.70 -2.14 -1.11 0.00 0.00 175.55 173.21 2kks s PRO 44 N -0.52 3.48 0.63 -1.71 0.02 -1.26 -0.21 135.00 135.44 2kks s PRO 44 Ca 0.21 1.41 0.00 0.00 0.02 0.00 0.00 61.00 62.64 2kks s PRO 44 Cb -0.15 -4.13 0.08 0.00 0.02 0.00 0.00 34.50 30.31 2kks s PRO 44 CO -0.07 -1.68 0.88 -0.51 -0.33 0.00 0.00 177.00 175.30 2kks s LEU 45 N 6.27 3.11 0.27 -5.54 1.43 -1.14 -4.97 118.68 118.12 2kks s LEU 45 Ca 0.75 -0.20 0.10 0.00 -1.03 0.00 0.00 54.13 53.75 2kks s LEU 45 Cb -0.22 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.54 2kks s LEU 45 CO 0.33 -1.50 -0.00 0.21 0.23 0.00 0.00 176.35 175.62 2kks s ASN 46 N -4.58 4.52 -0.42 2.29 2.47 -1.26 -4.67 114.94 113.29 2kks s ASN 46 Ca 0.62 -0.67 -0.27 0.00 0.42 0.00 0.00 52.86 52.97 2kks s ASN 46 Cb -0.08 -0.82 0.02 0.00 -1.45 0.00 0.00 41.25 38.92 2kks s ASN 46 CO 0.41 -0.02 0.98 0.21 -3.72 0.00 0.00 177.10 174.97 2kks s ASN 47 N -3.68 6.62 -0.07 -4.21 3.84 -1.26 -4.73 114.94 111.44 2kks s ASN 47 Ca 0.32 0.42 -0.12 0.00 0.21 0.00 0.00 52.86 53.69 2kks s ASN 47 Cb -0.06 -2.48 -0.09 0.00 -0.55 0.00 0.00 41.25 38.07 2kks s ASN 47 CO 0.20 -1.01 0.46 -0.07 -2.79 0.00 0.00 177.10 173.89 2kks h LEU 48 N 10.48 -0.18 -8.75 3.21 -0.00 -1.96 -3.44 115.31 114.68 2kks h LEU 48 Ca -0.23 -0.17 -0.66 0.00 -0.00 0.00 0.00 57.88 56.81 2kks h LEU 48 Cb 1.07 0.05 -0.19 0.00 -0.00 0.00 0.00 40.66 41.59 2kks h LEU 48 CO 1.03 0.36 -0.51 -1.81 -0.00 0.00 0.00 178.44 177.51 2kks s ASP 49 N -5.41 5.94 -0.87 -0.43 1.01 -1.26 -5.02 116.67 110.63 2kks s ASP 49 Ca -0.07 -0.30 -0.25 0.00 0.71 0.00 0.00 52.55 52.64 2kks s ASP 49 Cb 0.00 -2.11 0.00 0.00 1.01 0.00 0.00 42.92 41.83 2kks s ASP 49 CO 0.24 -0.17 1.65 -1.10 0.21 0.00 0.00 175.17 176.01 2kks s GLN 50 N 1.71 3.03 0.32 8.23 -0.21 -1.26 -4.74 119.66 126.74 2kks s GLN 50 Ca 0.06 -0.43 0.06 0.00 0.02 0.00 0.00 55.36 55.07 2kks s GLN 50 Cb -0.17 -4.92 -0.06 0.00 1.00 0.00 0.00 33.01 28.86 2kks s GLN 50 CO 0.10 -2.68 -0.01 -1.12 -2.12 0.00 0.00 175.29 169.46 2kks s SER 51 N 6.30 2.88 0.00 5.90 0.01 -1.26 -5.04 113.70 122.49 2kks s SER 51 Ca 0.56 -1.29 0.23 0.00 1.31 0.00 0.00 55.95 56.76 2kks s SER 51 Cb -0.06 -0.19 0.47 0.00 0.21 0.00 0.00 66.02 66.45 2kks s SER 51 CO 0.02 -0.44 1.42 -0.81 0.41 0.00 0.00 173.24 173.84 2kks n PRO 52 N -0.70 2.45 0.12 12.44 -0.04 -1.26 -3.01 135.00 145.01 2kks n PRO 52 Ca -0.04 -2.20 0.00 0.00 -0.04 0.00 0.00 63.50 61.22 2kks n PRO 52 Cb 0.65 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 2kks n PRO 52 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kks n GLU 53 N 1.40 0.00 -3.32 0.54 -0.58 -1.26 -4.61 120.64 112.81 2kks n GLU 53 Ca 0.19 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.55 2kks n GLU 53 Cb 0.58 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.39 2kks n GLU 53 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2kks s HIS 54 N -2.00 3.64 0.09 -0.32 3.76 -1.26 -4.89 115.29 114.31 2kks s HIS 54 Ca 0.00 1.04 0.09 0.00 -0.15 0.00 0.00 55.06 56.04 2kks s HIS 54 Cb 0.00 -2.50 -0.04 0.00 1.11 0.00 0.00 32.58 31.15 2kks s HIS 54 CO 0.00 0.37 -0.20 -0.59 -0.85 0.00 0.00 174.74 173.47 2kks s PHE 55 N -0.15 2.50 -0.03 1.40 -0.71 -1.26 -4.41 117.98 115.31 2kks s PHE 55 Ca 0.27 -0.29 0.02 0.00 -1.04 0.00 0.00 56.93 55.90 2kks s PHE 55 Cb -0.17 -1.37 0.01 0.00 -1.21 0.00 0.00 43.02 40.28 2kks s PHE 55 CO 0.14 0.32 -0.08 -1.12 -1.34 0.00 0.00 175.22 173.14 2kks s SER 56 N -1.87 1.16 0.07 1.98 0.01 -1.26 -5.03 113.70 108.77 2kks s SER 56 Ca 0.16 -0.18 0.02 0.00 1.31 0.00 0.00 55.95 57.26 2kks s SER 56 Cb -0.10 -0.41 -0.04 0.00 0.21 0.00 0.00 66.02 65.68 2kks s SER 56 CO 0.08 0.03 0.15 0.00 0.41 0.00 0.00 173.24 173.90 2kks s MET 57 N 0.44 3.17 0.26 12.44 0.23 -1.26 -3.60 119.30 130.98 2kks s MET 57 Ca -0.07 -0.57 -0.29 0.00 -1.03 0.00 0.00 55.69 53.73 2kks s MET 57 Cb -0.11 -2.88 -0.09 0.00 -1.53 0.00 0.00 34.83 30.22 2kks s MET 57 CO 0.01 0.58 0.97 0.34 -2.03 0.00 0.00 175.02 174.90 2kks s ASP 58 N -2.48 7.52 0.15 -1.18 -1.08 -1.26 -4.97 116.67 113.37 2kks s ASP 58 Ca 0.32 2.00 0.08 0.00 -0.52 0.00 0.00 52.55 54.43 2kks s ASP 58 Cb -0.13 -2.61 -0.10 0.00 -1.46 0.00 0.00 42.92 38.63 2kks s ASP 58 CO 0.25 0.06 1.34 1.55 0.52 0.00 0.00 175.17 178.90 2kks h PRO 59 N 3.94 0.00 -0.01 4.34 0.13 -1.98 -2.67 132.00 135.75 2kks h PRO 59 Ca -0.46 -0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.57 2kks h PRO 59 Cb 1.20 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 2kks h PRO 59 CO 0.67 0.93 -0.38 0.00 -0.23 0.00 0.00 178.00 178.99 2kks h ARG 60 N 0.00 0.27 -0.29 0.86 3.08 -1.99 -1.20 114.38 115.11 2kks h ARG 60 Ca -0.01 -0.28 -0.10 0.00 0.07 0.00 0.00 59.98 59.66 2kks h ARG 60 Cb 1.64 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.75 2kks h ARG 60 CO 0.12 0.99 -0.24 0.93 -1.07 0.00 0.00 179.97 180.70 2kks h GLU 61 N -0.33 0.56 -0.42 0.04 4.39 -1.99 -2.76 114.58 114.07 2kks h GLU 61 Ca -0.05 -0.22 -0.07 0.00 0.34 0.00 0.00 59.36 59.37 2kks h GLU 61 Cb 1.12 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.72 2kks h GLU 61 CO 0.08 0.76 0.01 0.37 -1.16 0.00 0.00 179.01 179.06 2kks h GLN 62 N 0.50 0.74 -0.32 2.33 4.15 -1.46 0.10 115.11 121.14 2kks h GLN 62 Ca 0.07 -0.23 0.02 0.00 0.77 0.00 0.00 58.65 59.28 2kks h GLN 62 Cb 0.68 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.28 2kks h GLN 62 CO 0.05 0.82 0.17 1.25 -1.93 0.00 0.00 178.83 179.18 2kks h LEU 63 N 0.58 0.25 -0.66 -2.39 5.85 -1.06 0.11 115.31 117.99 2kks h LEU 63 Ca 0.12 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.76 2kks h LEU 63 Cb 0.48 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 2kks h LEU 63 CO 0.02 0.19 0.01 0.74 -0.34 0.00 0.00 178.44 179.06 2kks h THR 64 N 0.35 1.26 -0.55 1.05 2.02 -1.41 -1.73 112.91 113.90 2kks h THR 64 Ca 0.13 -1.13 -0.01 0.00 0.77 0.00 0.00 66.41 66.17 2kks h THR 64 Cb 0.04 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 2kks h THR 64 CO -0.08 0.41 0.32 0.00 0.37 0.00 0.00 175.52 176.53 2kks h ALA 65 N 1.03 0.70 -0.46 6.16 0.00 -0.34 0.37 119.26 126.73 2kks h ALA 65 Ca 0.17 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2kks h ALA 65 Cb 0.54 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2kks h ALA 65 CO 0.03 0.20 0.17 0.28 0.00 0.00 0.00 179.25 179.93 2kks h VAL 66 N 0.73 1.21 -0.61 0.00 2.07 -0.65 0.20 116.25 119.20 2kks h VAL 66 Ca 0.19 -0.67 -0.08 0.00 0.82 0.00 0.00 66.70 66.97 2kks h VAL 66 Cb 0.01 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2kks h VAL 66 CO -0.03 0.24 0.08 0.50 0.02 0.00 0.00 177.57 178.38 2kks h LYS 67 N 0.59 1.03 -0.13 1.57 3.64 -0.97 -0.77 116.57 121.54 2kks h LYS 67 Ca 0.15 -0.29 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 2kks h LYS 67 Cb 0.22 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 2kks h LYS 67 CO -0.01 0.97 0.04 0.22 -2.27 0.00 0.00 179.45 178.41 2kks h ASP 68 N 0.94 0.19 -0.14 4.20 3.58 -0.04 0.14 116.42 125.29 2kks h ASP 68 Ca 0.18 -0.19 0.01 0.00 0.42 0.00 0.00 57.03 57.45 2kks h ASP 68 Cb 0.45 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 2kks h ASP 68 CO 0.02 0.33 0.05 -0.03 -2.88 0.00 0.00 179.24 176.73 2kks h MET 69 N 0.04 0.12 -0.87 0.28 4.05 -0.85 -2.31 114.93 115.39 2kks h MET 69 Ca 0.04 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.43 2kks h MET 69 Cb 0.21 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 30.94 2kks h MET 69 CO -0.00 0.08 0.44 -0.09 0.23 0.00 0.00 176.91 177.57 2kks h ARG 70 N 0.12 1.23 -0.98 0.39 2.43 -1.03 0.21 114.38 116.75 2kks h ARG 70 Ca 0.06 -0.17 0.03 0.00 -0.81 0.00 0.00 59.98 59.10 2kks h ARG 70 Cb 0.03 -0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 29.29 2kks h ARG 70 CO -0.06 0.93 0.64 -0.22 -1.51 0.00 0.00 179.97 179.75 2kks h LYS 71 N 1.23 1.21 0.00 0.20 3.64 -0.21 -1.31 116.57 121.33 2kks h LYS 71 Ca 0.30 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2kks h LYS 71 Cb 0.08 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.63 2kks h LYS 71 CO -0.04 0.80 -0.29 -0.97 -2.27 0.00 0.00 179.45 176.68 2kks h ASN 72 N 1.25 0.00 0.00 4.20 -1.24 -1.23 -3.47 115.58 115.08 2kks h ASN 72 Ca 0.38 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.39 2kks h ASN 72 Cb -0.02 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.03 2kks h ASN 72 CO -0.11 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.64 2kks n GLY 73 N 1.13 1.22 3.98 1.57 0.00 -0.50 -5.11 105.19 107.49 2kks n GLY 73 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 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 2.96 0.13 1.61 0.51 0.68 -4.97 118.94 117.86 2kks s TRP 74 Ca 0.00 -0.08 0.05 0.00 -2.12 0.00 0.00 56.10 53.95 2kks s TRP 74 Cb 0.00 -2.47 -0.04 0.00 -0.81 0.00 0.00 33.47 30.15 2kks s TRP 74 CO 0.00 -0.54 -0.12 0.14 -0.51 0.00 0.00 176.95 175.92 2kks s VAL 75 N -2.54 1.22 -0.16 4.03 -7.23 -0.20 -3.88 120.40 111.64 2kks s VAL 75 Ca 0.53 -1.88 -0.29 0.00 -1.81 0.00 0.00 61.98 58.53 2kks s VAL 75 Cb -0.10 -1.67 -0.01 0.00 0.56 0.00 0.00 36.38 35.16 2kks s VAL 75 CO 0.36 -0.60 1.23 -0.32 -0.31 0.00 0.00 175.10 175.46 2kks s MET 76 N -3.22 4.25 -0.01 4.82 1.75 -1.26 -1.18 119.30 124.45 2kks s MET 76 Ca 0.12 1.63 0.11 0.00 -1.25 0.00 0.00 55.69 56.30 2kks s MET 76 Cb -0.01 -3.73 -0.23 0.00 2.84 0.00 0.00 34.83 33.70 2kks s MET 76 CO 0.02 -0.67 0.80 -0.07 -0.65 0.00 0.00 175.02 174.45 2kks h LEU 77 N 9.54 0.00 0.00 4.11 3.38 -0.95 -3.48 115.31 127.91 2kks h LEU 77 Ca -0.26 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2kks h LEU 77 Cb 1.10 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2kks h LEU 77 CO 0.96 1.01 0.00 0.61 0.09 0.00 0.00 178.44 181.11 2kks n GLY 78 N 1.51 -0.39 3.59 0.83 0.00 -1.17 -2.03 105.19 107.53 2kks n GLY 78 Ca -0.13 -0.60 -0.11 0.00 0.00 0.00 0.00 46.02 45.18 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 0.23 0.02 1.61 6.03 0.05 -1.33 114.94 117.55 2kks s ASN 79 Ca 0.00 -1.13 0.05 0.00 -1.03 0.00 0.00 52.86 50.76 2kks s ASN 79 Cb 0.00 0.65 -0.02 0.00 -3.03 0.00 0.00 41.25 38.85 2kks s ASN 79 CO 0.00 -1.26 -0.16 0.72 -2.03 0.00 0.00 177.10 174.37 2kks s PHE 80 N -3.49 1.39 -0.03 1.54 -0.71 -1.18 -1.16 117.98 114.34 2kks s PHE 80 Ca 0.24 -0.32 0.01 0.00 -1.04 0.00 0.00 56.93 55.81 2kks s PHE 80 Cb -0.01 -0.85 0.02 0.00 -1.21 0.00 0.00 43.02 40.97 2kks s PHE 80 CO 0.13 0.03 -0.02 -1.58 -1.34 0.00 0.00 175.22 172.44 2kks s HIS 81 N -0.67 0.44 0.20 3.49 2.46 0.23 -2.62 115.29 118.81 2kks s HIS 81 Ca 0.04 -0.06 0.09 0.00 0.47 0.00 0.00 55.06 55.60 2kks s HIS 81 Cb -0.07 -0.46 -0.04 0.00 -0.13 0.00 0.00 32.58 31.88 2kks s HIS 81 CO 0.01 -0.13 -0.08 -1.12 -2.47 0.00 0.00 174.74 170.95 2kks s SER 82 N 0.85 4.29 0.00 9.88 0.01 -0.50 -0.94 113.70 127.28 2kks s SER 82 Ca -0.09 -0.60 0.05 0.00 1.31 0.00 0.00 55.95 56.62 2kks s SER 82 Cb -0.13 -0.73 -0.02 0.00 0.21 0.00 0.00 66.02 65.36 2kks s SER 82 CO -0.01 0.08 -0.17 -1.00 0.41 0.00 0.00 173.24 172.55 2kks s HIS 83 N -1.83 1.51 -0.01 2.43 3.76 0.08 -4.21 115.29 117.02 2kks s HIS 83 Ca 0.26 -0.31 -0.23 0.00 -0.15 0.00 0.00 55.06 54.64 2kks s HIS 83 Cb -0.08 -0.95 -0.15 0.00 1.11 0.00 0.00 32.58 32.51 2kks s HIS 83 CO 0.16 0.00 1.02 -1.00 -0.85 0.00 0.00 174.74 174.08 2kks h PRO 84 N 5.47 -0.44 -0.29 8.40 0.13 -1.84 -2.85 132.00 140.57 2kks h PRO 84 Ca -0.38 0.03 -0.24 0.00 -0.87 0.00 0.00 66.00 64.54 2kks h PRO 84 Cb 1.16 0.10 -0.33 0.00 0.13 0.00 0.00 31.00 32.06 2kks h PRO 84 CO 0.47 -0.12 -0.91 0.00 -0.23 0.00 0.00 178.00 177.21 2kks n ALA 85 N -2.57 3.23 -2.54 -0.56 0.00 -1.26 -3.81 120.51 113.01 2kks n ALA 85 Ca -0.09 -2.96 -0.11 0.00 0.00 0.00 0.00 53.44 50.28 2kks n ALA 85 Cb 0.27 -0.62 -0.11 0.00 0.00 0.00 0.00 19.45 18.99 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 -2.76 0.50 1.02 0.00 -4.23 -1.26 -4.85 115.64 104.06 2kks s THR 86 Ca 0.36 -1.45 -0.12 0.00 -1.18 0.00 0.00 61.69 59.30 2kks s THR 86 Cb 0.37 -1.06 0.20 0.00 1.34 0.00 0.00 72.50 73.35 2kks s THR 86 CO -0.07 -0.65 1.08 -2.84 -0.54 0.00 0.00 174.62 171.60 2kks s PRO 87 N -2.65 0.28 -1.32 3.99 0.02 -1.26 -4.31 135.00 129.75 2kks s PRO 87 Ca -0.01 0.79 -0.16 0.00 0.02 0.00 0.00 61.00 61.64 2kks s PRO 87 Cb -0.02 -1.70 0.09 0.00 0.02 0.00 0.00 34.50 32.89 2kks s PRO 87 CO -0.03 -2.90 1.80 0.00 -0.33 0.00 0.00 177.00 175.54 2kks n ALA 88 N -4.34 4.14 -3.15 -1.55 0.00 -1.26 -4.83 120.51 109.52 2kks n ALA 88 Ca 0.06 -3.95 -0.12 0.00 0.00 0.00 0.00 53.44 49.42 2kks n ALA 88 Cb 0.55 -3.46 -0.10 0.00 0.00 0.00 0.00 19.45 16.44 2kks n ALA 88 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kks s ARG 89 N 3.32 0.43 -0.44 0.00 0.52 -1.26 -4.92 118.95 116.60 2kks s ARG 89 Ca 0.50 0.04 -0.28 0.00 -0.52 0.00 0.00 55.73 55.46 2kks s ARG 89 Cb 0.05 0.19 0.00 0.00 0.52 0.00 0.00 34.95 35.72 2kks s ARG 89 CO 0.03 -0.09 1.49 -2.14 0.02 0.00 0.00 175.30 174.61 2kks s PRO 90 N -0.58 3.44 0.93 3.54 0.02 -1.26 -5.01 135.00 136.08 2kks s PRO 90 Ca -0.07 0.90 -0.15 0.00 0.02 0.00 0.00 61.00 61.71 2kks s PRO 90 Cb -0.04 -4.09 0.17 0.00 0.02 0.00 0.00 34.50 30.56 2kks s PRO 90 CO 0.02 -1.74 1.26 -1.54 -0.33 0.00 0.00 177.00 174.67 2kks s SER 91 N 4.55 3.41 0.45 2.53 1.04 -1.26 -4.69 113.70 119.73 2kks s SER 91 Ca 0.63 0.46 0.15 0.00 0.48 0.00 0.00 55.95 57.67 2kks s SER 91 Cb -0.14 -0.66 1.08 0.00 0.10 0.00 0.00 66.02 66.39 2kks s SER 91 CO 0.31 -2.56 1.98 0.00 0.98 0.00 0.00 173.24 173.95 2kks h ALA 92 N -1.52 2.08 -0.18 5.32 0.00 -1.98 0.33 119.26 123.30 2kks h ALA 92 Ca -0.45 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 2kks h ALA 92 Cb 1.27 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2kks h ALA 92 CO 0.47 -0.21 0.04 0.93 0.00 0.00 0.00 179.25 180.47 2kks h GLU 93 N 0.35 0.30 -0.21 0.00 4.39 -1.99 -2.49 114.58 114.93 2kks h GLU 93 Ca 0.28 -0.08 -0.13 0.00 0.34 0.00 0.00 59.36 59.76 2kks h GLU 93 Cb 0.61 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 2kks h GLU 93 CO -0.07 0.45 -0.43 -0.44 -1.16 0.00 0.00 179.01 177.36 2kks h ASP 94 N 0.10 0.55 -0.77 1.42 3.32 -1.49 -2.89 116.42 116.65 2kks h ASP 94 Ca 0.06 -0.25 0.01 0.00 0.02 0.00 0.00 57.03 56.87 2kks h ASP 94 Cb 0.29 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.65 2kks h ASP 94 CO 0.00 0.91 0.51 0.11 -1.72 0.00 0.00 179.24 179.05 2kks h LYS 95 N 0.42 1.00 0.00 3.56 1.79 -0.33 -0.93 116.57 122.08 2kks h LYS 95 Ca 0.03 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2kks h LYS 95 Cb 0.92 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 2kks h LYS 95 CO 0.08 0.66 0.00 0.00 -1.08 0.00 0.00 179.45 179.11 2kks h ARG 96 N 1.03 0.00 -0.06 3.15 3.08 -1.25 -2.92 114.38 117.41 2kks h ARG 96 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2kks h ARG 96 Cb -0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.95 2kks h ARG 96 CO -0.07 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.11 2kks n LEU 97 N -2.88 1.64 -4.50 3.04 4.77 -0.38 -4.70 117.00 113.98 2kks n LEU 97 Ca 0.03 -0.59 -0.42 0.00 -0.03 0.00 0.00 56.01 55.00 2kks n LEU 97 Cb 0.41 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.44 2kks n LEU 97 CO 0.30 0.29 1.08 0.00 -1.33 0.00 0.00 177.39 177.73 2kks s ALA 98 N -1.94 2.99 -0.05 -1.18 0.00 -1.04 -4.79 121.76 115.75 2kks s ALA 98 Ca 0.36 -2.04 0.19 0.00 0.00 0.00 0.00 51.96 50.47 2kks s ALA 98 Cb 0.20 -4.16 -0.29 0.00 0.00 0.00 0.00 23.12 18.88 2kks s ALA 98 CO 0.31 -3.14 0.37 1.19 0.00 0.00 0.00 175.76 174.48 2kks n PHE 99 N 8.12 0.00 -3.58 0.00 3.72 -1.26 -4.84 117.46 119.62 2kks n PHE 99 Ca 0.13 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.24 2kks n PHE 99 Cb 0.48 -0.52 -0.13 0.00 -0.94 0.00 0.00 39.48 38.38 2kks n PHE 99 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2kks s ASP 100 N -4.41 3.31 0.00 4.37 -1.08 -1.26 -4.99 116.67 112.61 2kks s ASP 100 Ca -0.07 -2.37 0.00 0.00 -0.52 0.00 0.00 52.55 49.59 2kks s ASP 100 Cb 0.11 -0.70 0.00 0.00 -1.46 0.00 0.00 42.92 40.88 2kks s ASP 100 CO 0.80 -0.29 0.70 -2.65 0.52 0.00 0.00 175.17 174.25 2kks n PRO 101 N 3.84 0.00 0.11 4.34 -0.02 -1.26 -1.07 135.00 140.95 2kks n PRO 101 Ca 0.10 0.20 0.12 0.00 -2.02 0.00 0.00 63.50 61.90 2kks n PRO 101 Cb 0.36 -1.50 0.14 0.00 -0.02 0.00 0.00 33.50 32.48 2kks n PRO 101 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2kks h SER 102 N 0.00 0.00 -3.45 2.55 0.02 -1.94 -3.44 113.55 107.29 2kks h SER 102 Ca 0.00 -0.08 -0.54 0.00 -0.84 0.00 0.00 61.79 60.34 2kks h SER 102 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 2kks h SER 102 CO 0.00 0.04 -0.08 -0.76 -1.14 0.00 0.00 176.83 174.89 2kks s LEU 103 N -5.03 4.20 0.01 5.07 1.43 -0.23 -4.91 118.68 119.22 2kks s LEU 103 Ca 0.05 1.01 -0.20 0.00 -1.03 0.00 0.00 54.13 53.96 2kks s LEU 103 Cb 0.10 -3.64 -0.06 0.00 0.03 0.00 0.00 46.19 42.63 2kks s LEU 103 CO 0.72 -0.05 0.57 -0.94 0.23 0.00 0.00 176.35 176.88 2kks s SER 104 N -2.19 6.97 -0.57 2.29 1.04 -0.86 -4.63 113.70 115.75 2kks s SER 104 Ca 0.46 1.16 -0.06 0.00 0.48 0.00 0.00 55.95 57.98 2kks s SER 104 Cb -0.12 -2.35 0.15 0.00 0.10 0.00 0.00 66.02 63.80 2kks s SER 104 CO 0.20 0.16 0.41 -0.31 0.98 0.00 0.00 173.24 174.69 2kks s TYR 105 N -0.48 3.49 0.06 5.02 1.51 -0.24 -0.77 117.35 125.94 2kks s TYR 105 Ca 0.30 -2.33 -0.27 0.00 -1.01 0.00 0.00 57.07 53.75 2kks s TYR 105 Cb -0.18 -3.37 -0.05 0.00 -0.11 0.00 0.00 41.96 38.24 2kks s TYR 105 CO 0.17 -0.93 0.86 -0.51 -1.11 0.00 0.00 175.55 174.04 2kks s LEU 106 N 0.59 4.45 -0.11 -1.29 1.02 -0.31 -0.25 118.68 122.78 2kks s LEU 106 Ca 0.12 1.59 0.03 0.00 0.02 0.00 0.00 54.13 55.90 2kks s LEU 106 Cb -0.21 -3.40 0.00 0.00 0.02 0.00 0.00 46.19 42.60 2kks s LEU 106 CO -0.03 -0.06 -0.23 -0.63 0.02 0.00 0.00 176.35 175.42 2kks s ILE 107 N 0.17 2.13 -0.18 -0.59 1.01 0.10 0.74 121.20 124.58 2kks s ILE 107 Ca 0.43 -0.99 -0.05 0.00 0.00 0.00 0.00 60.65 60.05 2kks s ILE 107 Cb -0.21 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 2kks s ILE 107 CO 0.26 0.55 -0.01 -0.63 0.00 0.00 0.00 174.94 175.11 2kks s ILE 108 N 0.47 4.01 -0.20 2.92 1.01 -0.12 -1.20 121.20 128.09 2kks s ILE 108 Ca -0.15 -0.30 -0.04 0.00 0.00 0.00 0.00 60.65 60.15 2kks s ILE 108 Cb -0.17 -2.79 -0.02 0.00 0.01 0.00 0.00 42.46 39.49 2kks s ILE 108 CO 0.06 0.46 -0.03 -0.55 0.00 0.00 0.00 174.94 174.87 2kks s SER 109 N 0.68 4.53 -0.17 3.58 0.15 0.54 -0.74 113.70 122.26 2kks s SER 109 Ca -0.01 -0.29 0.16 0.00 0.70 0.00 0.00 55.95 56.51 2kks s SER 109 Cb -0.14 -1.77 0.74 0.00 -1.71 0.00 0.00 66.02 63.14 2kks s SER 109 CO 0.02 0.04 1.66 0.18 1.20 0.00 0.00 173.24 176.34 2kks n LEU 110 N 4.38 5.08 0.27 3.45 7.99 -1.08 -2.49 117.00 134.60 2kks n LEU 110 Ca -0.18 -2.71 0.15 0.00 -0.01 0.00 0.00 56.01 53.26 2kks n LEU 110 Cb 0.51 -0.62 0.74 0.00 -0.11 0.00 0.00 43.42 43.95 2kks n LEU 110 CO 0.30 0.72 0.98 0.00 -1.51 0.00 0.00 177.39 177.88 2kks h ALA 111 N 3.77 1.10 -3.13 -1.18 0.00 -1.75 -3.32 119.26 114.75 2kks h ALA 111 Ca 0.00 -0.08 -0.62 0.00 0.00 0.00 0.00 54.91 54.21 2kks h ALA 111 Cb 1.67 -0.01 -0.41 0.00 0.00 0.00 0.00 17.79 19.05 2kks h ALA 111 CO 0.34 0.10 -0.69 -2.00 0.00 0.00 0.00 179.25 177.01 2kks s GLU 112 N -3.91 1.67 0.66 0.00 2.56 -1.26 -4.98 118.70 113.43 2kks s GLU 112 Ca -0.01 -2.40 0.44 0.00 0.00 0.00 0.00 54.97 53.00 2kks s GLU 112 Cb 0.11 -2.80 2.41 0.00 2.00 0.00 0.00 34.13 35.85 2kks s GLU 112 CO 0.55 -1.16 2.36 -1.35 -0.56 0.00 0.00 175.26 175.10 2kks h PRO 113 N 6.44 0.00 0.00 4.30 0.11 -1.92 0.53 132.00 141.46 2kks h PRO 113 Ca -0.01 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.03 2kks h PRO 113 Cb 0.89 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 2kks h PRO 113 CO 0.58 0.00 -0.71 1.96 -0.21 0.00 0.00 178.00 179.62 2kks h GLN 114 N 0.00 0.00 -1.89 1.05 1.08 -1.93 -3.41 115.11 110.01 2kks h GLN 114 Ca 0.00 0.00 -0.48 0.00 -1.45 0.00 0.00 58.65 56.72 2kks h GLN 114 Cb 0.01 0.00 -0.33 0.00 -0.05 0.00 0.00 27.48 27.11 2kks h GLN 114 CO 0.00 0.21 -0.89 1.63 -0.95 0.00 0.00 178.83 178.83 2kks n LYS 115 N -2.98 0.39 -1.76 1.46 4.76 0.15 -5.12 118.16 115.07 2kks n LYS 115 Ca -0.01 -2.88 -0.42 0.00 -2.87 0.00 0.00 58.31 52.13 2kks n LYS 115 Cb 0.66 -1.53 -0.03 0.00 -1.84 0.00 0.00 35.03 32.29 2kks n LYS 115 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 2kks s PRO 116 N 0.01 4.15 -0.24 1.97 0.02 -1.05 -4.63 135.00 135.22 2kks s PRO 116 Ca 0.33 2.53 -0.16 0.00 0.02 0.00 0.00 61.00 63.72 2kks s PRO 116 Cb 0.07 -3.80 -0.04 0.00 0.02 0.00 0.00 34.50 30.76 2kks s PRO 116 CO -0.16 -0.86 0.40 0.08 -0.33 0.00 0.00 177.00 176.14 2kks s VAL 117 N 3.34 5.17 -0.22 3.83 1.01 -1.04 -4.94 120.40 127.55 2kks s VAL 117 Ca 0.82 0.67 -0.01 0.00 0.00 0.00 0.00 61.98 63.45 2kks s VAL 117 Cb -0.43 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.23 2kks s VAL 117 CO 0.37 0.18 -0.11 0.00 0.00 0.00 0.00 175.10 175.54 2kks s LYS 119 N 1.35 1.74 -0.15 0.00 1.02 -0.34 -4.93 119.74 118.43 2kks s LYS 119 Ca 0.03 -1.93 0.00 0.00 0.02 0.00 0.00 55.97 54.10 2kks s LYS 119 Cb -0.15 -1.38 0.02 0.00 -0.52 0.00 0.00 37.83 35.81 2kks s LYS 119 CO -0.07 0.01 -0.14 -1.12 -0.92 0.00 0.00 175.35 173.11 2kks s SER 120 N -3.56 2.68 -0.09 2.83 0.01 -1.23 0.02 113.70 114.36 2kks s SER 120 Ca 0.33 -0.49 0.03 0.00 1.31 0.00 0.00 55.95 57.13 2kks s SER 120 Cb 0.06 -1.18 -0.02 0.00 0.21 0.00 0.00 66.02 65.09 2kks s SER 120 CO 0.15 -0.05 -0.17 -0.36 0.41 0.00 0.00 173.24 173.22 2kks s PHE 121 N 1.47 2.68 -0.43 2.43 0.08 0.66 0.15 117.98 125.02 2kks s PHE 121 Ca 0.05 -0.57 -0.13 0.00 0.12 0.00 0.00 56.93 56.39 2kks s PHE 121 Cb -0.13 -1.72 0.06 0.00 -0.57 0.00 0.00 43.02 40.66 2kks s PHE 121 CO -0.11 -0.13 0.32 -0.51 -0.10 0.00 0.00 175.22 174.69 2kks s LEU 122 N -0.04 5.29 -0.46 -0.37 1.43 0.12 -1.08 118.68 123.56 2kks s LEU 122 Ca -0.04 -1.27 -0.21 0.00 -1.03 0.00 0.00 54.13 51.58 2kks s LEU 122 Cb -0.14 -2.10 0.03 0.00 0.03 0.00 0.00 46.19 44.01 2kks s LEU 122 CO 0.04 -0.55 0.67 -0.63 0.23 0.00 0.00 176.35 176.11 2kks s ILE 123 N 1.57 4.80 0.10 -0.59 1.01 -1.26 0.00 121.20 126.83 2kks s ILE 123 Ca 0.04 0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.71 2kks s ILE 123 Cb -0.22 -4.25 0.02 0.00 0.01 0.00 0.00 42.46 38.01 2kks s ILE 123 CO 0.06 -0.69 0.13 0.29 0.00 0.00 0.00 174.94 174.73 2kks n LYS 124 N 6.35 0.99 0.24 2.79 4.76 -0.26 -4.14 118.16 128.89 2kks n LYS 124 Ca -0.02 -0.55 -0.15 0.00 -2.87 0.00 0.00 58.31 54.72 2kks n LYS 124 Cb 0.47 -0.03 -0.08 0.00 -1.84 0.00 0.00 35.03 33.55 2kks n LYS 124 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2kks h LYS 125 N 0.00 -0.57 0.57 1.97 1.63 -1.95 -3.35 116.57 114.87 2kks h LYS 125 Ca -0.05 0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.76 2kks h LYS 125 Cb 0.22 0.13 0.01 0.00 -0.60 0.00 0.00 32.23 31.98 2kks h LYS 125 CO 0.07 -0.30 -0.27 -0.44 -3.45 0.00 0.00 179.45 175.05 2kks h ASP 126 N -0.75 -0.65 -1.74 4.20 3.32 -2.01 -3.49 116.42 115.30 2kks h ASP 126 Ca -0.06 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 2kks h ASP 126 Cb 0.53 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 2kks h ASP 126 CO 0.10 -0.32 0.01 0.61 -1.72 0.00 0.00 179.24 177.92 2kks n GLY 127 N -0.43 2.37 3.72 2.75 0.00 -1.26 -5.15 105.19 107.18 2kks n GLY 127 Ca -0.10 -1.25 -0.35 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.66 5.19 -0.18 1.61 0.11 -1.26 -1.10 120.40 122.11 2kks s VAL 128 Ca 0.05 0.11 -0.03 0.00 -2.93 0.00 0.00 61.98 59.17 2kks s VAL 128 Cb -0.01 -3.34 -0.02 0.00 -1.53 0.00 0.00 36.38 31.48 2kks s VAL 128 CO 0.03 0.47 -0.04 -0.62 -3.33 0.00 0.00 175.10 171.61 2kks s ASP 129 N 0.15 4.56 0.07 3.54 2.15 0.10 -4.94 116.67 122.30 2kks s ASP 129 Ca 0.07 -0.24 -0.29 0.00 0.43 0.00 0.00 52.55 52.52 2kks s ASP 129 Cb -0.12 -1.76 -0.05 0.00 -0.30 0.00 0.00 42.92 40.70 2kks s ASP 129 CO -0.00 0.10 0.92 -1.83 -0.17 0.00 0.00 175.17 174.18 2kks s GLU 130 N 0.79 4.62 0.12 4.34 -1.05 -1.26 0.10 118.70 126.36 2kks s GLU 130 Ca -0.02 1.35 0.10 0.00 -0.15 0.00 0.00 54.97 56.25 2kks s GLU 130 Cb -0.15 -3.39 -0.04 0.00 -0.44 0.00 0.00 34.13 30.11 2kks s GLU 130 CO 0.02 0.16 -0.21 -2.00 0.95 0.00 0.00 175.26 174.18 2kks s GLU 131 N 0.23 1.65 0.00 -4.83 2.56 0.12 -4.93 118.70 113.50 2kks s GLU 131 Ca 0.46 -1.24 -0.01 0.00 0.00 0.00 0.00 54.97 54.18 2kks s GLU 131 Cb -0.22 -2.04 -0.04 0.00 2.00 0.00 0.00 34.13 33.83 2kks s GLU 131 CO 0.28 0.47 0.14 -2.00 -0.56 0.00 0.00 175.26 173.59 2kks s GLU 132 N -2.10 3.28 -0.14 4.30 2.12 -1.26 -3.54 118.70 121.36 2kks s GLU 132 Ca 0.16 -0.40 -0.10 0.00 0.36 0.00 0.00 54.97 54.99 2kks s GLU 132 Cb -0.10 -2.99 -0.05 0.00 0.26 0.00 0.00 34.13 31.25 2kks s GLU 132 CO 0.09 0.66 0.19 0.42 -0.54 0.00 0.00 175.26 176.07 2kks s ILE 133 N -1.30 5.40 -0.39 -3.70 1.01 -1.26 -2.82 121.20 118.15 2kks s ILE 133 Ca 0.26 0.32 -0.14 0.00 0.00 0.00 0.00 60.65 61.08 2kks s ILE 133 Cb -0.12 -3.49 0.01 0.00 0.01 0.00 0.00 42.46 38.87 2kks s ILE 133 CO 0.18 0.53 0.29 -0.63 0.00 0.00 0.00 174.94 175.31 2kks s ILE 134 N -0.38 5.25 -0.31 2.92 -1.09 0.72 -4.99 121.20 123.32 2kks s ILE 134 Ca 0.14 -0.47 -0.16 0.00 -2.23 0.00 0.00 60.65 57.94 2kks s ILE 134 Cb -0.12 -3.86 -0.02 0.00 -1.58 0.00 0.00 42.46 36.87 2kks s ILE 134 CO 0.03 -0.21 0.39 -0.76 -1.23 0.00 0.00 174.94 173.16 2kks s LEU 135 N 1.74 4.26 0.29 2.97 1.43 -1.25 -1.99 118.68 126.12 2kks s LEU 135 Ca 0.06 0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.18 2kks s LEU 135 Cb -0.18 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.58 2kks s LEU 135 CO 0.10 -0.30 0.48 -0.54 0.23 0.00 0.00 176.35 176.32 2kks s LYS 136 N 2.11 3.50 0.07 1.70 1.02 -0.94 -4.87 119.74 122.34 2kks s LYS 136 Ca 0.14 -0.39 0.15 0.00 0.02 0.00 0.00 55.97 55.90 2kks s LYS 136 Cb -0.16 -2.74 -0.13 0.00 -0.52 0.00 0.00 37.83 34.28 2kks s LYS 136 CO 0.11 0.26 0.90 1.49 -0.92 0.00 0.00 175.35 177.19 2kks h GLU 137 N 1.17 0.00 -4.89 1.68 4.57 -1.96 -0.74 114.58 114.42 2kks h GLU 137 Ca -0.50 0.00 -0.41 0.00 -1.18 0.00 0.00 59.36 57.28 2kks h GLU 137 Cb 1.21 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 29.66 2kks h GLU 137 CO 0.63 0.39 -0.57 -1.21 -1.18 0.00 0.00 179.01 177.08 2kks s GLU 138 N -2.86 1.58 0.14 1.92 2.02 -1.26 -4.75 118.70 115.48 2kks s GLU 138 Ca -0.02 -1.89 -0.02 0.00 0.02 0.00 0.00 54.97 53.05 2kks s GLU 138 Cb 0.08 -0.14 0.03 0.00 0.10 0.00 0.00 34.13 34.21 2kks s GLU 138 CO 0.81 -0.43 0.19 1.28 0.02 0.00 0.00 175.26 177.13 2kks n LEU 139 N -0.57 0.00 -4.67 1.80 4.77 -1.26 -4.84 117.00 112.23 2kks n LEU 139 Ca 0.01 -0.22 -0.42 0.00 -0.03 0.00 0.00 56.01 55.35 2kks n LEU 139 Cb 0.65 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 2kks n LEU 139 CO 0.35 -0.64 1.27 -0.70 -1.33 0.00 0.00 177.39 176.34 2kks s GLU 140 N -3.40 4.22 0.32 3.23 2.12 -1.26 -4.96 118.70 118.97 2kks s GLU 140 Ca 0.11 2.10 -0.16 0.00 0.36 0.00 0.00 54.97 57.38 2kks s GLU 140 Cb -0.00 -3.78 0.03 0.00 0.26 0.00 0.00 34.13 30.63 2kks s GLU 140 CO 0.08 -0.74 0.68 -3.38 -0.54 0.00 0.00 175.26 171.36 2kks s HIS 141 N 3.29 0.14 0.57 5.30 -3.43 -1.26 -5.15 115.29 114.76 2kks s HIS 141 Ca 0.69 -0.65 -0.21 0.00 -0.80 0.00 0.00 55.06 54.10 2kks s HIS 141 Cb -0.33 0.59 -0.04 0.00 -1.43 0.00 0.00 32.58 31.37 2kks s HIS 141 CO 0.28 -1.31 1.26 0.72 -2.00 0.00 0.00 174.74 173.68 2kks n HIS 142 N -0.48 1.92 -2.53 0.38 8.25 -1.26 -4.97 115.22 116.52 2kks n HIS 142 Ca -0.05 0.44 -0.33 0.00 -0.26 0.00 0.00 57.72 57.52 2kks n HIS 142 Cb 0.60 -2.30 -0.04 0.00 1.12 0.00 0.00 29.99 29.37 2kks n HIS 142 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kks s HIS 143 N -1.34 3.36 0.12 4.41 3.76 -1.26 -4.85 115.29 119.48 2kks s HIS 143 Ca 0.74 1.52 0.00 0.00 -0.15 0.00 0.00 55.06 57.18 2kks s HIS 143 Cb -0.42 -2.83 0.00 0.00 1.11 0.00 0.00 32.58 30.44 2kks s HIS 143 CO 0.47 -0.33 0.00 0.72 -0.85 0.00 0.00 174.74 174.75 2kks n HIS 144 N -1.25 -1.00 -1.44 1.40 8.25 -1.26 -5.09 115.22 114.83 2kks n HIS 144 Ca 0.07 0.51 0.00 0.00 -0.26 0.00 0.00 57.72 58.04 2kks n HIS 144 Cb 0.54 -0.91 0.00 0.00 1.12 0.00 0.00 29.99 30.74 2kks n HIS 144 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kks n HIS 145 N -2.55 -2.49 0.72 4.41 -0.00 -1.26 -5.16 115.22 108.88 2kks n HIS 145 Ca -0.01 1.49 0.09 0.00 -0.00 0.00 0.00 57.72 59.30 2kks n HIS 145 Cb 0.18 -2.89 0.07 0.00 -0.00 0.00 0.00 29.99 27.35 2kks n HIS 145 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06