#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 2.23 -0.10 3.17 2.07 -1.14 -1.19 121.20 126.23 2kks s ILE 2 Ca 0.00 -1.00 0.02 0.00 -1.41 0.00 0.00 60.65 58.26 2kks s ILE 2 Cb 0.00 -1.83 0.01 0.00 0.13 0.00 0.00 42.46 40.78 2kks s ILE 2 CO 0.00 0.57 -0.15 -0.89 -1.91 0.00 0.00 174.94 172.55 2kks s THR 3 N -0.13 1.49 0.13 4.00 2.01 0.76 0.07 115.64 123.96 2kks s THR 3 Ca -0.04 -0.64 -0.01 0.00 0.31 0.00 0.00 61.69 61.31 2kks s THR 3 Cb -0.14 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 70.98 2kks s THR 3 CO 0.04 0.44 0.04 -1.48 -0.69 0.00 0.00 174.62 172.97 2kks s LEU 4 N 0.90 1.87 0.47 4.42 0.05 -0.10 -0.42 118.68 125.87 2kks s LEU 4 Ca -0.08 -1.19 0.08 0.00 0.05 0.00 0.00 54.13 52.99 2kks s LEU 4 Cb -0.15 0.24 0.04 0.00 -2.05 0.00 0.00 46.19 44.26 2kks s LEU 4 CO -0.00 -0.70 0.65 0.42 -0.55 0.00 0.00 176.35 176.17 2kks s THR 5 N -3.98 2.72 0.22 5.48 -4.23 -1.26 -1.50 115.64 113.08 2kks s THR 5 Ca 0.23 -0.99 -0.09 0.00 -1.18 0.00 0.00 61.69 59.67 2kks s THR 5 Cb 0.07 -2.73 0.17 0.00 1.34 0.00 0.00 72.50 71.36 2kks s THR 5 CO 0.01 0.00 1.86 0.11 -0.54 0.00 0.00 174.62 176.06 2kks h LYS 6 N 0.47 0.92 -0.79 3.99 1.57 -1.79 -2.12 116.57 118.82 2kks h LYS 6 Ca -0.37 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.37 2kks h LYS 6 Cb 1.28 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 33.35 2kks h LYS 6 CO 0.44 0.61 0.53 -0.22 -0.57 0.00 0.00 179.45 180.23 2kks h LYS 7 N 0.95 1.03 -0.44 3.15 3.11 -1.89 0.45 116.57 122.92 2kks h LYS 7 Ca 0.31 -0.06 -0.06 0.00 -2.81 0.00 0.00 60.65 58.03 2kks h LYS 7 Cb 0.03 -0.23 -0.02 0.00 -1.00 0.00 0.00 32.23 31.01 2kks h LYS 7 CO -0.12 0.68 0.05 1.96 -2.81 0.00 0.00 179.45 179.22 2kks h GLN 8 N 1.06 0.74 -0.42 1.90 1.08 -1.76 0.15 115.11 117.86 2kks h GLN 8 Ca 0.30 -0.21 0.02 0.00 -1.45 0.00 0.00 58.65 57.31 2kks h GLN 8 Cb -0.10 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.22 2kks h GLN 8 CO -0.07 0.78 0.25 1.98 -0.95 0.00 0.00 178.83 180.82 2kks h MET 9 N 0.60 0.49 -0.36 1.46 4.05 -0.77 0.13 114.93 120.52 2kks h MET 9 Ca 0.13 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.49 2kks h MET 9 Cb 0.41 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.08 2kks h MET 9 CO 0.01 0.32 0.08 0.93 0.23 0.00 0.00 176.91 178.49 2kks h GLU 10 N 0.50 0.53 -0.23 0.39 4.39 -0.68 0.12 114.58 119.60 2kks h GLU 10 Ca 0.17 -0.09 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 2kks h GLU 10 Cb 0.01 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 2kks h GLU 10 CO -0.08 0.49 -0.03 0.93 -1.16 0.00 0.00 179.01 179.16 2kks h GLU 11 N 0.52 0.43 -0.57 2.33 5.08 0.08 0.17 114.58 122.62 2kks h GLU 11 Ca 0.12 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 2kks h GLU 11 Cb 0.21 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2kks h GLU 11 CO -0.00 0.64 0.11 0.52 -1.00 0.00 0.00 179.01 179.27 2kks h MET 12 N 0.18 0.94 -0.70 2.33 2.86 -0.63 -2.08 114.93 117.82 2kks h MET 12 Ca 0.06 -0.24 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 2kks h MET 12 Cb 0.47 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 2kks h MET 12 CO 0.02 0.89 0.40 -0.07 1.06 0.00 0.00 176.91 179.21 2kks h LEU 13 N 0.84 0.85 -0.76 1.22 3.38 -0.70 -0.37 115.31 119.76 2kks h LEU 13 Ca 0.18 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 2kks h LEU 13 Cb 0.40 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2kks h LEU 13 CO 0.01 0.69 0.32 0.00 0.09 0.00 0.00 178.44 179.54 2kks h ALA 14 N 1.21 0.99 -0.33 1.53 0.00 -0.73 -1.24 119.26 120.70 2kks h ALA 14 Ca 0.25 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 2kks h ALA 14 Cb 0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 2kks h ALA 14 CO -0.04 0.61 -0.46 1.25 0.00 0.00 0.00 179.25 180.61 2kks h HIS 15 N 1.10 1.06 0.19 0.00 -0.00 -1.09 -1.82 115.15 114.59 2kks h HIS 15 Ca 0.26 -0.34 -0.01 0.00 -0.00 0.00 0.00 60.37 60.28 2kks h HIS 15 Cb 0.20 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 27.40 2kks h HIS 15 CO 0.02 1.16 -0.09 0.00 -0.00 0.00 0.00 177.93 179.01 2kks h ALA 16 N 0.78 -0.26 -0.14 5.26 0.00 -0.79 -2.58 119.26 121.54 2kks h ALA 16 Ca 0.04 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2kks h ALA 16 Cb 1.05 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2kks h ALA 16 CO 0.10 -0.62 -0.17 0.07 0.00 0.00 0.00 179.25 178.64 2kks h ARG 17 N -0.31 0.23 -0.45 0.00 0.11 -1.27 -2.82 114.38 109.88 2kks h ARG 17 Ca -0.03 -0.06 0.04 0.00 0.10 0.00 0.00 59.98 60.03 2kks h ARG 17 Cb 0.24 -0.03 -0.04 0.00 1.11 0.00 0.00 29.97 31.25 2kks h ARG 17 CO 0.04 0.41 0.23 0.37 0.10 0.00 0.00 179.97 181.12 2kks h GLN 18 N 0.22 0.44 -0.00 0.08 4.15 -1.07 -3.01 115.11 115.92 2kks h GLN 18 Ca 0.04 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.44 2kks h GLN 18 Cb 0.44 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.03 2kks h GLN 18 CO 0.03 0.29 -0.20 0.00 -1.93 0.00 0.00 178.83 177.01 2kks n ALA 19 N -2.31 2.93 -1.70 3.38 0.00 -0.99 -4.92 120.51 116.89 2kks n ALA 19 Ca 0.03 -0.29 -0.41 0.00 0.00 0.00 0.00 53.44 52.77 2kks n ALA 19 Cb 0.11 -1.26 0.01 0.00 0.00 0.00 0.00 19.45 18.31 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 -1.05 4.03 -1.74 0.00 4.77 -1.14 -0.37 117.00 121.51 2kks n LEU 20 Ca 0.11 1.11 -0.06 0.00 -0.03 0.00 0.00 56.01 57.14 2kks n LEU 20 Cb 0.31 -1.50 0.23 0.00 -2.33 0.00 0.00 43.42 40.13 2kks n LEU 20 CO 0.27 -0.65 0.90 -0.81 -1.33 0.00 0.00 177.39 175.76 2kks n PRO 21 N 0.03 3.03 -1.30 3.23 -0.04 -1.26 -5.07 135.00 133.61 2kks n PRO 21 Ca 0.07 -2.34 -0.12 0.00 -0.04 0.00 0.00 63.50 61.06 2kks n PRO 21 Cb 0.40 -2.00 0.07 0.00 -0.04 0.00 0.00 33.50 31.93 2kks n PRO 21 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2kks n ASN 22 N -0.10 0.41 -4.87 3.54 3.02 0.50 -4.76 115.26 113.01 2kks n ASN 22 Ca 0.33 -1.42 -0.32 0.00 -0.03 0.00 0.00 54.58 53.13 2kks n ASN 22 Cb 1.17 -0.38 -0.05 0.00 -0.61 0.00 0.00 39.78 39.90 2kks n ASN 22 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2kks s GLU 23 N -3.98 3.82 -0.13 3.52 1.03 -1.18 -4.61 118.70 117.17 2kks s GLU 23 Ca 0.34 0.30 0.02 0.00 0.03 0.00 0.00 54.97 55.65 2kks s GLU 23 Cb -0.01 -2.69 -0.00 0.00 -0.80 0.00 0.00 34.13 30.62 2kks s GLU 23 CO 0.23 0.35 -0.19 0.00 -1.33 0.00 0.00 175.26 174.32 2kks s ALA 24 N -1.76 2.37 0.15 -0.84 0.00 -1.26 -4.93 121.76 115.48 2kks s ALA 24 Ca 0.46 -1.00 0.10 0.00 0.00 0.00 0.00 51.96 51.52 2kks s ALA 24 Cb -0.12 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 21.92 2kks s ALA 24 CO 0.21 0.13 -0.19 0.00 0.00 0.00 0.00 175.76 175.91 2kks n GLY 26 N 0.55 1.00 3.38 0.00 0.00 -0.88 -3.73 105.19 105.50 2kks n GLY 26 Ca -0.14 -0.97 -0.21 0.00 0.00 0.00 0.00 46.02 44.69 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 2.52 -0.07 0.99 1.43 -0.02 -2.47 118.68 121.05 2kks s LEU 27 Ca 0.07 -0.96 0.05 0.00 -1.03 0.00 0.00 54.13 52.26 2kks s LEU 27 Cb -0.01 -0.86 -0.00 0.00 0.03 0.00 0.00 46.19 45.35 2kks s LEU 27 CO 0.01 -0.06 -0.22 -0.76 0.23 0.00 0.00 176.35 175.55 2kks s LEU 28 N -3.11 2.02 0.17 1.79 1.43 -0.36 -0.51 118.68 120.10 2kks s LEU 28 Ca 0.22 -0.49 0.09 0.00 -1.03 0.00 0.00 54.13 52.92 2kks s LEU 28 Cb -0.04 -1.28 -0.04 0.00 0.03 0.00 0.00 46.19 44.86 2kks s LEU 28 CO 0.09 0.18 -0.19 -0.83 0.23 0.00 0.00 176.35 175.83 2kks s GLY 29 N 0.15 1.42 0.00 -3.19 0.00 0.99 -1.90 107.32 104.79 2kks s GLY 29 Ca -0.11 -1.49 0.00 0.00 0.00 0.00 0.00 44.72 43.11 2kks s GLY 29 CO 0.06 -1.54 0.00 0.61 0.00 0.00 0.00 173.10 172.23 2kks n GLY 30 N 0.31 -0.56 3.20 0.20 0.00 -1.02 -1.22 105.19 106.10 2kks n GLY 30 Ca -0.13 -0.68 -0.24 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.58 1.29 -0.10 1.61 0.52 -0.51 -0.05 118.95 120.14 2kks s ARG 31 Ca 0.00 -0.79 0.04 0.00 -0.52 0.00 0.00 55.73 54.45 2kks s ARG 31 Cb 0.00 -1.33 -0.01 0.00 0.52 0.00 0.00 34.95 34.13 2kks s ARG 31 CO 0.00 0.35 -0.22 -0.98 0.02 0.00 0.00 175.30 174.47 2kks s ARG 32 N -0.91 3.00 -0.36 3.54 1.70 -1.26 -0.10 118.95 124.56 2kks s ARG 32 Ca 0.06 -0.85 0.08 0.00 -0.47 0.00 0.00 55.73 54.55 2kks s ARG 32 Cb -0.08 -2.33 0.68 0.00 -0.57 0.00 0.00 34.95 32.65 2kks s ARG 32 CO 0.01 0.23 1.79 -3.47 -1.08 0.00 0.00 175.30 172.78 2kks n ASP 33 N 3.38 4.14 0.00 -2.89 -0.08 0.38 -4.97 116.55 116.51 2kks n ASP 33 Ca -0.19 -3.42 0.00 0.00 -1.51 0.00 0.00 54.79 49.68 2kks n ASP 33 Cb 0.53 -0.76 0.00 0.00 2.34 0.00 0.00 41.12 43.23 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 -0.64 1.22 0.66 0.27 0.00 -1.26 -4.66 105.19 100.79 2kks n GLY 34 Ca 0.46 -0.79 0.12 0.00 0.00 0.00 0.00 46.02 45.81 2kks n GLY 34 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kks n ASP 35 N 0.00 2.26 -4.67 1.61 8.00 -1.26 -4.85 116.55 117.64 2kks n ASP 35 Ca 0.00 -1.65 -0.35 0.00 0.71 0.00 0.00 54.79 53.50 2kks n ASP 35 Cb 0.00 0.17 -0.09 0.00 -0.02 0.00 0.00 41.12 41.17 2kks n ASP 35 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2kks s ASP 36 N -2.21 5.37 -0.07 -2.24 1.01 -1.26 -1.29 116.67 115.99 2kks s ASP 36 Ca 0.26 0.13 0.01 0.00 0.71 0.00 0.00 52.55 53.66 2kks s ASP 36 Cb 0.19 -1.67 0.02 0.00 1.01 0.00 0.00 42.92 42.47 2kks s ASP 36 CO 0.42 0.31 -0.06 0.00 0.21 0.00 0.00 175.17 176.05 2kks s ARG 37 N -0.49 1.15 -0.24 8.23 1.70 -0.33 -0.47 118.95 128.49 2kks s ARG 37 Ca 0.09 -0.17 -0.06 0.00 -0.47 0.00 0.00 55.73 55.12 2kks s ARG 37 Cb -0.12 -1.16 -0.02 0.00 -0.57 0.00 0.00 34.95 33.08 2kks s ARG 37 CO 0.02 -0.13 0.03 -1.58 -1.08 0.00 0.00 175.30 172.55 2kks s TRP 38 N 1.21 3.04 -0.53 5.89 0.51 0.86 -0.17 118.94 129.74 2kks s TRP 38 Ca -0.06 -0.60 -0.20 0.00 -2.12 0.00 0.00 56.10 53.12 2kks s TRP 38 Cb -0.14 -2.18 0.06 0.00 -0.81 0.00 0.00 33.47 30.40 2kks s TRP 38 CO -0.02 -0.42 0.72 0.08 -0.51 0.00 0.00 176.95 176.80 2kks s VAL 39 N 1.54 4.73 -0.39 4.03 1.01 0.44 -1.43 120.40 130.34 2kks s VAL 39 Ca 0.06 -0.38 0.16 0.00 0.00 0.00 0.00 61.98 61.82 2kks s VAL 39 Cb -0.15 -4.39 -0.22 0.00 0.00 0.00 0.00 36.38 31.62 2kks s VAL 39 CO 0.01 -0.95 0.53 -0.62 0.00 0.00 0.00 175.10 174.07 2kks n GLU 40 N 6.55 1.06 -4.23 2.72 1.02 -0.73 -4.28 120.64 122.74 2kks n GLU 40 Ca -0.05 -0.08 -0.18 0.00 -0.02 0.00 0.00 57.16 56.83 2kks n GLU 40 Cb 0.45 -1.33 -0.15 0.00 -0.02 0.00 0.00 31.44 30.39 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 -2.86 0.70 -0.06 3.49 6.06 -0.36 -4.99 118.95 120.94 2kks s ARG 41 Ca -0.00 -0.20 0.05 0.00 -2.50 0.00 0.00 55.73 53.08 2kks s ARG 41 Cb 0.11 -0.69 -0.02 0.00 0.06 0.00 0.00 34.95 34.42 2kks s ARG 41 CO 0.68 0.06 -0.19 0.08 -2.50 0.00 0.00 175.30 173.43 2kks s VAL 42 N 0.29 2.60 -0.57 7.11 1.01 -1.26 -0.01 120.40 129.57 2kks s VAL 42 Ca -0.04 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.09 2kks s VAL 42 Cb -0.08 -1.99 0.14 0.00 0.00 0.00 0.00 36.38 34.45 2kks s VAL 42 CO 0.00 0.57 0.33 -0.31 0.00 0.00 0.00 175.10 175.70 2kks s TYR 43 N -0.39 3.29 -1.09 5.22 2.02 0.33 -4.96 117.35 121.76 2kks s TYR 43 Ca 0.04 -3.14 -0.23 0.00 -0.37 0.00 0.00 57.07 53.36 2kks s TYR 43 Cb -0.12 -2.87 -0.08 0.00 -0.40 0.00 0.00 41.96 38.49 2kks s TYR 43 CO 0.02 -0.72 1.95 -2.14 -1.57 0.00 0.00 175.55 173.08 2kks s PRO 44 N -0.47 2.46 0.68 -1.71 0.02 -1.26 -0.84 135.00 133.88 2kks s PRO 44 Ca 0.18 -0.86 -0.11 0.00 0.02 0.00 0.00 61.00 60.23 2kks s PRO 44 Cb -0.22 -5.17 0.16 0.00 0.02 0.00 0.00 34.50 29.29 2kks s PRO 44 CO -0.03 -3.85 0.93 1.28 -0.33 0.00 0.00 177.00 175.00 2kks n LEU 45 N 14.47 0.00 -4.89 -5.54 4.77 -1.24 -5.03 117.00 119.54 2kks n LEU 45 Ca 0.43 -1.04 -0.34 0.00 -0.03 0.00 0.00 56.01 55.03 2kks n LEU 45 Cb 0.47 -0.71 -0.05 0.00 -2.33 0.00 0.00 43.42 40.80 2kks n LEU 45 CO 0.65 -1.16 -0.04 0.21 -1.33 0.00 0.00 177.39 175.72 2kks s ASN 46 N -4.41 6.50 -0.32 -1.43 2.47 -1.26 -4.75 114.94 111.74 2kks s ASN 46 Ca 0.53 0.56 -0.12 0.00 0.42 0.00 0.00 52.86 54.25 2kks s ASN 46 Cb -0.01 -2.09 -0.03 0.00 -1.45 0.00 0.00 41.25 37.67 2kks s ASN 46 CO 0.37 0.21 0.21 0.21 -3.72 0.00 0.00 177.10 174.39 2kks s ASN 47 N -1.86 5.98 0.29 -4.21 2.47 -1.26 -4.66 114.94 111.68 2kks s ASN 47 Ca 0.30 -0.31 0.24 0.00 0.42 0.00 0.00 52.86 53.52 2kks s ASN 47 Cb -0.13 -2.11 1.03 0.00 -1.45 0.00 0.00 41.25 38.59 2kks s ASN 47 CO 0.18 -0.17 1.73 -0.07 -3.72 0.00 0.00 177.10 175.05 2kks h LEU 48 N 8.44 0.00-10.29 3.21 -0.00 -1.21 -3.44 115.31 112.01 2kks h LEU 48 Ca -0.33 0.00 -0.45 0.00 -0.00 0.00 0.00 57.88 57.11 2kks h LEU 48 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.83 2kks h LEU 48 CO 0.61 0.00 -0.33 -1.81 -0.00 0.00 0.00 178.44 176.90 2kks s ASP 49 N -4.35 6.05 -0.49 -0.43 1.01 -1.26 -4.93 116.67 112.27 2kks s ASP 49 Ca 0.03 -0.07 0.06 0.00 0.71 0.00 0.00 52.55 53.29 2kks s ASP 49 Cb 0.09 -1.42 0.21 0.00 1.01 0.00 0.00 42.92 42.81 2kks s ASP 49 CO 0.39 -0.37 0.51 0.00 0.21 0.00 0.00 175.17 175.90 2kks n GLN 50 N -1.63 1.05 -4.41 8.23 6.02 -1.26 -4.91 117.38 120.46 2kks n GLN 50 Ca -0.02 -3.65 -0.20 0.00 -0.01 0.00 0.00 57.00 53.11 2kks n GLN 50 Cb 0.58 -1.69 -0.10 0.00 1.02 0.00 0.00 30.24 30.04 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 -1.09 2.30 0.00 1.08 0.01 -1.26 -5.03 113.70 109.70 2kks s SER 51 Ca 0.34 -1.30 0.21 0.00 1.31 0.00 0.00 55.95 56.51 2kks s SER 51 Cb 0.10 -0.08 0.55 0.00 0.21 0.00 0.00 66.02 66.80 2kks s SER 51 CO -0.13 -0.53 1.45 -0.81 0.41 0.00 0.00 173.24 173.64 2kks n PRO 52 N -0.59 2.15 0.00 12.44 -0.04 -1.26 -3.08 135.00 144.62 2kks n PRO 52 Ca -0.04 -1.75 0.00 0.00 -0.04 0.00 0.00 63.50 61.68 2kks n PRO 52 Cb 0.65 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 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 0.95 0.00 -4.44 0.54 1.02 -1.26 -4.83 120.64 112.62 2kks n GLU 53 Ca 0.18 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.98 2kks n GLU 53 Cb 0.47 -0.05 -0.11 0.00 -0.02 0.00 0.00 31.44 31.72 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 -1.87 3.03 0.11 -0.32 3.76 -1.26 -4.99 115.29 113.75 2kks s HIS 54 Ca 0.00 -0.13 0.10 0.00 -0.15 0.00 0.00 55.06 54.88 2kks s HIS 54 Cb 0.00 -1.87 -0.04 0.00 1.11 0.00 0.00 32.58 31.78 2kks s HIS 54 CO 0.00 0.14 -0.25 -0.59 -0.85 0.00 0.00 174.74 173.19 2kks s PHE 55 N -0.14 2.36 -0.01 1.40 -0.12 -1.26 -4.32 117.98 115.89 2kks s PHE 55 Ca 0.03 -0.36 0.02 0.00 -0.05 0.00 0.00 56.93 56.57 2kks s PHE 55 Cb -0.13 -1.30 -0.00 0.00 -0.63 0.00 0.00 43.02 40.96 2kks s PHE 55 CO 0.02 0.31 -0.07 -1.12 -0.05 0.00 0.00 175.22 174.31 2kks s SER 56 N -1.91 0.93 0.18 1.98 0.01 -1.26 -4.95 113.70 108.68 2kks s SER 56 Ca 0.14 -0.14 0.11 0.00 1.31 0.00 0.00 55.95 57.37 2kks s SER 56 Cb -0.10 -0.16 -0.04 0.00 0.21 0.00 0.00 66.02 65.93 2kks s SER 56 CO 0.06 0.08 -0.24 -0.04 0.41 0.00 0.00 173.24 173.50 2kks s MET 57 N -0.03 1.49 -0.03 12.44 -1.94 -1.26 -0.56 119.30 129.41 2kks s MET 57 Ca 0.01 -1.49 -0.09 0.00 -1.71 0.00 0.00 55.69 52.41 2kks s MET 57 Cb -0.05 -1.84 -0.05 0.00 2.01 0.00 0.00 34.83 34.90 2kks s MET 57 CO -0.00 0.41 0.27 0.34 -0.01 0.00 0.00 175.02 176.02 2kks s ASP 58 N -2.55 6.55 0.55 3.03 -1.08 -1.26 -4.98 116.67 116.92 2kks s ASP 58 Ca 0.19 0.64 0.21 0.00 -0.52 0.00 0.00 52.55 53.08 2kks s ASP 58 Cb -0.08 -2.13 1.46 0.00 -1.46 0.00 0.00 42.92 40.71 2kks s ASP 58 CO 0.09 0.31 2.16 1.55 0.52 0.00 0.00 175.17 179.81 2kks h PRO 59 N 4.44 0.00 -0.21 4.34 0.13 -2.00 -2.72 132.00 135.98 2kks h PRO 59 Ca -0.52 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.50 2kks h PRO 59 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2kks h PRO 59 CO 0.63 0.00 -0.32 0.07 -0.23 0.00 0.00 178.00 178.15 2kks h ARG 60 N 0.00 0.59 -0.11 0.86 0.11 -1.99 -1.15 114.38 112.70 2kks h ARG 60 Ca 0.03 -0.35 -0.14 0.00 0.10 0.00 0.00 59.98 59.61 2kks h ARG 60 Cb 0.11 0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.21 2kks h ARG 60 CO -0.00 0.96 -0.56 1.05 0.10 0.00 0.00 179.97 181.52 2kks h GLU 61 N 0.27 0.33 -0.09 0.08 4.11 -1.93 0.98 114.58 118.34 2kks h GLU 61 Ca 0.02 -0.21 0.00 0.00 0.07 0.00 0.00 59.36 59.24 2kks h GLU 61 Cb 0.90 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 2kks h GLU 61 CO 0.07 0.80 0.06 1.96 0.07 0.00 0.00 179.01 181.97 2kks h GLN 62 N 0.25 0.12 -0.73 1.06 4.20 -1.43 -2.02 115.11 116.57 2kks h GLN 62 Ca 0.00 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 2kks h GLN 62 Cb 1.06 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.78 2kks h GLN 62 CO 0.09 0.10 0.21 1.25 -0.67 0.00 0.00 178.83 179.81 2kks h LEU 63 N 0.11 1.08 -1.32 1.46 5.85 -0.92 -2.45 115.31 119.13 2kks h LEU 63 Ca 0.03 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.56 2kks h LEU 63 Cb 0.00 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.71 2kks h LEU 63 CO -0.01 1.01 0.48 0.74 -0.34 0.00 0.00 178.44 180.32 2kks h THR 64 N 1.09 1.12 -0.24 1.05 2.02 -0.61 0.33 112.91 117.67 2kks h THR 64 Ca 0.23 -0.31 -0.06 0.00 0.77 0.00 0.00 66.41 67.04 2kks h THR 64 Cb 0.33 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 2kks h THR 64 CO -0.00 0.16 -0.09 0.00 0.37 0.00 0.00 175.52 175.96 2kks h ALA 65 N 1.57 0.34 -0.30 6.16 0.00 -0.97 -2.55 119.26 123.50 2kks h ALA 65 Ca 0.29 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2kks h ALA 65 Cb 0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2kks h ALA 65 CO -0.08 0.17 -0.15 0.28 0.00 0.00 0.00 179.25 179.47 2kks h VAL 66 N 0.21 1.24 -0.44 0.00 2.07 -0.95 -2.25 116.25 116.13 2kks h VAL 66 Ca 0.06 -1.10 0.03 0.00 0.82 0.00 0.00 66.70 66.51 2kks h VAL 66 Cb 0.58 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 2kks h VAL 66 CO 0.03 0.36 0.24 0.50 0.02 0.00 0.00 177.57 178.72 2kks h LYS 67 N 0.48 0.47 -0.37 1.57 3.64 -0.20 0.28 116.57 122.44 2kks h LYS 67 Ca 0.08 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.34 2kks h LYS 67 Cb 0.55 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2kks h LYS 67 CO 0.04 0.31 -0.14 0.22 -2.27 0.00 0.00 179.45 177.61 2kks h ASP 68 N 0.48 0.76 -0.08 4.20 1.82 -1.28 -2.95 116.42 119.37 2kks h ASP 68 Ca 0.19 -0.39 -0.01 0.00 -0.39 0.00 0.00 57.03 56.43 2kks h ASP 68 Cb 0.06 -0.21 -0.00 0.00 0.68 0.00 0.00 39.33 39.86 2kks h ASP 68 CO -0.11 0.98 0.01 0.24 -1.61 0.00 0.00 179.24 178.75 2kks h MET 69 N 0.54 0.13 0.00 0.28 2.86 -0.90 -2.84 114.93 115.00 2kks h MET 69 Ca 0.09 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 2kks h MET 69 Cb 0.67 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.31 2kks h MET 69 CO 0.05 0.35 -0.14 0.07 1.06 0.00 0.00 176.91 178.29 2kks h ARG 70 N -0.11 0.00 -0.47 1.72 0.11 -0.45 0.44 114.38 115.62 2kks h ARG 70 Ca 0.02 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.98 2kks h ARG 70 Cb 0.28 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.35 2kks h ARG 70 CO 0.00 0.14 -0.18 -0.22 0.10 0.00 0.00 179.97 179.81 2kks h LYS 71 N 0.00 0.92 0.00 0.08 3.64 -1.33 -3.17 116.57 116.70 2kks h LYS 71 Ca -0.00 -0.36 -0.02 0.00 -1.27 0.00 0.00 60.65 58.99 2kks h LYS 71 Cb 0.44 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2kks h LYS 71 CO 0.02 1.02 -1.04 -0.97 -2.27 0.00 0.00 179.45 176.21 2kks h ASN 72 N 0.81 0.00 0.00 4.20 -1.24 -0.96 -3.48 115.58 114.90 2kks h ASN 72 Ca 0.11 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.12 2kks h ASN 72 Cb 0.73 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.78 2kks h ASN 72 CO 0.06 0.08 0.00 0.61 -1.29 0.00 0.00 177.43 176.89 2kks n GLY 73 N 1.21 1.34 3.93 1.57 0.00 0.78 -5.11 105.19 108.91 2kks n GLY 73 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 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 3.28 0.18 1.61 0.51 0.12 -4.92 118.94 117.72 2kks s TRP 74 Ca 0.00 0.44 0.07 0.00 -2.12 0.00 0.00 56.10 54.50 2kks s TRP 74 Cb 0.00 -2.45 -0.04 0.00 -0.81 0.00 0.00 33.47 30.17 2kks s TRP 74 CO 0.00 -0.50 -0.15 0.14 -0.51 0.00 0.00 176.95 175.93 2kks s VAL 75 N -2.72 1.67 -0.56 4.03 -7.23 0.93 -3.28 120.40 113.24 2kks s VAL 75 Ca 0.50 -2.06 -0.28 0.00 -1.81 0.00 0.00 61.98 58.33 2kks s VAL 75 Cb -0.10 -1.91 0.02 0.00 0.56 0.00 0.00 36.38 34.95 2kks s VAL 75 CO 0.41 -0.51 1.39 -0.32 -0.31 0.00 0.00 175.10 175.76 2kks s MET 76 N -3.29 3.33 0.14 4.82 1.75 -1.26 -2.44 119.30 122.36 2kks s MET 76 Ca 0.18 0.43 -0.08 0.00 -1.25 0.00 0.00 55.69 54.98 2kks s MET 76 Cb -0.02 -4.11 -0.03 0.00 2.84 0.00 0.00 34.83 33.50 2kks s MET 76 CO 0.06 -1.90 1.40 -0.07 -0.65 0.00 0.00 175.02 173.85 2kks h LEU 77 N 12.93 0.76 0.00 4.11 3.38 -1.70 -3.48 115.31 131.32 2kks h LEU 77 Ca -0.27 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.24 2kks h LEU 77 Cb 1.09 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2kks h LEU 77 CO 1.18 1.23 0.00 0.61 0.09 0.00 0.00 178.44 181.55 2kks n GLY 78 N 0.52 -0.59 3.26 0.83 0.00 -1.18 -0.36 105.19 107.67 2kks n GLY 78 Ca -0.05 -0.40 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 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 0.89 0.02 1.61 2.20 0.14 -1.23 114.94 114.57 2kks s ASN 79 Ca 0.00 -1.55 -0.04 0.00 -0.94 0.00 0.00 52.86 50.32 2kks s ASN 79 Cb 0.00 0.48 -0.01 0.00 -2.00 0.00 0.00 41.25 39.72 2kks s ASN 79 CO 0.00 -0.98 0.07 0.72 -2.94 0.00 0.00 177.10 173.97 2kks s PHE 80 N -3.77 0.16 -0.03 1.54 -0.71 -1.03 -2.13 117.98 112.00 2kks s PHE 80 Ca 0.39 -0.36 -0.25 0.00 -1.04 0.00 0.00 56.93 55.67 2kks s PHE 80 Cb 0.04 -0.12 0.05 0.00 -1.21 0.00 0.00 43.02 41.78 2kks s PHE 80 CO 0.20 -0.27 0.54 -3.38 -1.34 0.00 0.00 175.22 170.97 2kks s HIS 81 N -1.69 -0.48 0.19 3.49 -3.43 -0.84 -2.08 115.29 110.45 2kks s HIS 81 Ca -0.13 0.80 0.08 0.00 -0.80 0.00 0.00 55.06 55.01 2kks s HIS 81 Cb -0.07 0.29 -0.04 0.00 -1.43 0.00 0.00 32.58 31.33 2kks s HIS 81 CO -0.01 -0.53 -0.06 -1.54 -2.00 0.00 0.00 174.74 170.61 2kks s SER 82 N -1.26 4.44 -0.10 7.38 1.04 -1.11 -1.98 113.70 122.11 2kks s SER 82 Ca -0.12 -0.53 -0.05 0.00 0.48 0.00 0.00 55.95 55.73 2kks s SER 82 Cb -0.02 -0.82 -0.04 0.00 0.10 0.00 0.00 66.02 65.24 2kks s SER 82 CO 0.08 0.09 0.10 -1.00 0.98 0.00 0.00 173.24 173.48 2kks s HIS 83 N -1.78 3.46 0.01 5.02 3.76 -0.53 -4.10 115.29 121.13 2kks s HIS 83 Ca 0.26 0.42 -0.26 0.00 -0.15 0.00 0.00 55.06 55.33 2kks s HIS 83 Cb -0.09 -1.89 -0.16 0.00 1.11 0.00 0.00 32.58 31.55 2kks s HIS 83 CO 0.17 0.65 1.26 -1.35 -0.85 0.00 0.00 174.74 174.62 2kks h PRO 84 N 4.96 -0.46 -2.01 8.40 0.11 -1.86 -3.29 132.00 137.85 2kks h PRO 84 Ca -0.53 0.03 -0.51 0.00 0.11 0.00 0.00 66.00 65.10 2kks h PRO 84 Cb 1.22 0.11 -0.40 0.00 0.11 0.00 0.00 31.00 32.03 2kks h PRO 84 CO 0.57 -0.16 -1.15 0.00 -0.21 0.00 0.00 178.00 177.06 2kks n ALA 85 N -2.48 2.25 -3.40 -0.75 0.00 -1.26 -4.45 120.51 110.40 2kks n ALA 85 Ca -0.10 -3.46 -0.15 0.00 0.00 0.00 0.00 53.44 49.73 2kks n ALA 85 Cb 0.27 -0.89 -0.05 0.00 0.00 0.00 0.00 19.45 18.79 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 -2.10 0.01 1.08 0.00 -4.23 -1.26 -5.02 115.64 104.13 2kks s THR 86 Ca 0.39 -0.11 -0.13 0.00 -1.18 0.00 0.00 61.69 60.66 2kks s THR 86 Cb 0.29 -0.98 0.24 0.00 1.34 0.00 0.00 72.50 73.38 2kks s THR 86 CO -0.09 -0.06 1.06 -2.84 -0.54 0.00 0.00 174.62 172.15 2kks s PRO 87 N -2.27 -0.25 -1.22 3.99 0.02 -1.26 -4.41 135.00 129.61 2kks s PRO 87 Ca -0.06 0.60 -0.17 0.00 0.02 0.00 0.00 61.00 61.39 2kks s PRO 87 Cb -0.01 -1.65 0.11 0.00 0.02 0.00 0.00 34.50 32.97 2kks s PRO 87 CO 0.00 -3.21 1.56 0.00 -0.33 0.00 0.00 177.00 175.02 2kks s ALA 88 N -2.76 3.54 -0.20 -1.55 0.00 -1.26 -4.85 121.76 114.68 2kks s ALA 88 Ca 0.67 -3.03 -0.27 0.00 0.00 0.00 0.00 51.96 49.33 2kks s ALA 88 Cb -0.21 -4.40 0.08 0.00 0.00 0.00 0.00 23.12 18.59 2kks s ALA 88 CO 0.61 -3.10 0.77 0.50 0.00 0.00 0.00 175.76 174.53 2kks s ARG 89 N 3.16 0.84 0.01 0.00 3.52 -1.26 -4.92 118.95 120.30 2kks s ARG 89 Ca 0.48 0.69 -0.30 0.00 -0.13 0.00 0.00 55.73 56.46 2kks s ARG 89 Cb 0.00 0.41 -0.05 0.00 -1.56 0.00 0.00 34.95 33.75 2kks s ARG 89 CO 0.02 -0.16 1.23 -2.14 -0.81 0.00 0.00 175.30 173.44 2kks s PRO 90 N -0.17 4.38 0.36 5.12 0.02 -1.26 -5.05 135.00 138.40 2kks s PRO 90 Ca -0.03 1.76 0.01 0.00 0.02 0.00 0.00 61.00 62.76 2kks s PRO 90 Cb -0.03 -3.46 0.07 0.00 0.02 0.00 0.00 34.50 31.09 2kks s PRO 90 CO 0.03 -0.38 0.49 0.43 -0.33 0.00 0.00 177.00 177.24 2kks n SER 91 N 4.64 0.75 -0.35 2.53 7.64 -1.26 -4.83 113.62 122.75 2kks n SER 91 Ca 0.10 -1.61 0.08 0.00 1.01 0.00 0.00 58.87 58.45 2kks n SER 91 Cb 0.46 -0.31 0.26 0.00 -1.01 0.00 0.00 64.21 63.61 2kks n SER 91 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kks h ALA 92 N -0.40 1.57 -0.20 -0.43 0.00 -1.98 0.14 119.26 117.96 2kks h ALA 92 Ca -0.16 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2kks h ALA 92 Cb 0.62 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2kks h ALA 92 CO 0.18 0.19 0.05 0.93 0.00 0.00 0.00 179.25 180.60 2kks h GLU 93 N 0.95 0.32 -0.50 0.00 4.39 -1.99 -2.00 114.58 115.75 2kks h GLU 93 Ca 0.49 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 60.09 2kks h GLU 93 Cb 0.52 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 2kks h GLU 93 CO -0.25 0.44 0.20 -0.44 -1.16 0.00 0.00 179.01 177.80 2kks h ASP 94 N 0.14 0.64 -0.07 1.42 5.19 -1.71 -2.33 116.42 119.70 2kks h ASP 94 Ca 0.06 -0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.39 2kks h ASP 94 Cb 0.26 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.61 2kks h ASP 94 CO 0.00 0.58 0.00 0.50 -3.12 0.00 0.00 179.24 177.20 2kks h LYS 95 N 0.71 0.12 0.00 3.56 3.11 -0.44 -3.05 116.57 120.57 2kks h LYS 95 Ca 0.17 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.98 2kks h LYS 95 Cb 0.13 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.35 2kks h LYS 95 CO -0.02 0.37 0.00 0.07 -2.81 0.00 0.00 179.45 177.06 2kks h ARG 96 N -0.15 0.00 -0.01 1.90 0.11 -1.27 -2.60 114.38 112.36 2kks h ARG 96 Ca 0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.10 2kks h ARG 96 Cb 0.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.40 2kks h ARG 96 CO 0.00 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.35 2kks n LEU 97 N -2.78 0.16 -4.15 0.08 4.77 -0.89 -4.55 117.00 109.65 2kks n LEU 97 Ca 0.03 -0.07 -0.37 0.00 -0.03 0.00 0.00 56.01 55.58 2kks n LEU 97 Cb 0.42 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.39 2kks n LEU 97 CO 0.30 0.03 -0.15 0.00 -1.33 0.00 0.00 177.39 176.24 2kks s ALA 98 N -1.98 3.18 -1.98 -1.18 0.00 -0.98 -4.90 121.76 113.92 2kks s ALA 98 Ca 0.31 -2.47 0.23 0.00 0.00 0.00 0.00 51.96 50.02 2kks s ALA 98 Cb 0.14 -2.47 0.03 0.00 0.00 0.00 0.00 23.12 20.83 2kks s ALA 98 CO 0.24 -1.78 1.11 1.19 0.00 0.00 0.00 175.76 176.52 2kks n PHE 99 N 4.67 0.00 -3.75 0.00 3.72 -1.26 -4.67 117.46 116.17 2kks n PHE 99 Ca -0.04 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.07 2kks n PHE 99 Cb 0.41 -0.01 -0.13 0.00 -0.94 0.00 0.00 39.48 38.82 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 -2.50 3.72 0.00 4.37 -1.08 -1.26 -4.96 116.67 114.96 2kks s ASP 100 Ca 0.18 -2.88 0.06 0.00 -0.52 0.00 0.00 52.55 49.40 2kks s ASP 100 Cb 0.18 -1.16 0.32 0.00 -1.46 0.00 0.00 42.92 40.81 2kks s ASP 100 CO 0.58 -0.23 1.02 -2.65 0.52 0.00 0.00 175.17 174.41 2kks n PRO 101 N 3.22 0.10 0.00 4.34 -0.02 -1.26 -1.78 135.00 139.61 2kks n PRO 101 Ca 0.11 0.20 0.12 0.00 -2.02 0.00 0.00 63.50 61.91 2kks n PRO 101 Cb 0.35 -1.50 0.22 0.00 -0.02 0.00 0.00 33.50 32.56 2kks n PRO 101 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2kks n SER 102 N -1.25 1.42 -4.88 2.55 2.88 -1.26 -4.65 113.62 108.42 2kks n SER 102 Ca 0.03 -1.14 -0.25 0.00 -1.33 0.00 0.00 58.87 56.18 2kks n SER 102 Cb 0.05 0.28 0.07 0.00 -0.75 0.00 0.00 64.21 63.86 2kks n SER 102 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2kks s LEU 103 N -2.50 2.88 -0.27 2.46 1.43 -0.73 -5.04 118.68 116.90 2kks s LEU 103 Ca 0.22 0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 53.55 2kks s LEU 103 Cb 0.19 -2.97 -0.05 0.00 0.03 0.00 0.00 46.19 43.38 2kks s LEU 103 CO 0.54 -1.61 0.17 -0.44 0.23 0.00 0.00 176.35 175.25 2kks s SER 104 N -4.54 5.97 -0.19 2.29 0.01 0.52 -4.81 113.70 112.96 2kks s SER 104 Ca 0.61 0.01 -0.02 0.00 1.31 0.00 0.00 55.95 57.86 2kks s SER 104 Cb -0.10 -2.10 -0.00 0.00 0.21 0.00 0.00 66.02 64.03 2kks s SER 104 CO 0.44 -0.02 -0.11 -0.31 0.41 0.00 0.00 173.24 173.66 2kks s TYR 105 N 1.56 2.87 -0.09 2.43 1.51 -1.24 -0.68 117.35 123.71 2kks s TYR 105 Ca 0.07 -1.04 -0.01 0.00 -1.01 0.00 0.00 57.07 55.08 2kks s TYR 105 Cb -0.15 -1.99 -0.03 0.00 -0.11 0.00 0.00 41.96 39.68 2kks s TYR 105 CO 0.09 -0.53 -0.05 -0.51 -1.11 0.00 0.00 175.55 173.44 2kks s LEU 106 N 1.14 3.25 -0.20 -1.29 1.02 -0.91 -0.29 118.68 121.40 2kks s LEU 106 Ca 0.01 -0.02 -0.03 0.00 0.02 0.00 0.00 54.13 54.11 2kks s LEU 106 Cb -0.14 -1.73 -0.01 0.00 0.02 0.00 0.00 46.19 44.33 2kks s LEU 106 CO -0.03 0.32 -0.07 -0.63 0.02 0.00 0.00 176.35 175.95 2kks s ILE 107 N -0.55 3.16 -0.17 -0.59 -1.09 0.27 -1.98 121.20 120.24 2kks s ILE 107 Ca 0.08 -0.57 -0.07 0.00 -2.23 0.00 0.00 60.65 57.87 2kks s ILE 107 Cb -0.12 -2.41 -0.04 0.00 -1.58 0.00 0.00 42.46 38.31 2kks s ILE 107 CO 0.02 0.45 0.05 -0.63 -1.23 0.00 0.00 174.94 173.60 2kks s ILE 108 N 1.30 4.67 -0.22 2.92 -1.09 -0.84 -2.58 121.20 125.36 2kks s ILE 108 Ca 0.04 -0.08 -0.04 0.00 -2.23 0.00 0.00 60.65 58.33 2kks s ILE 108 Cb -0.14 -3.09 -0.01 0.00 -1.58 0.00 0.00 42.46 37.64 2kks s ILE 108 CO -0.04 0.48 -0.02 -0.55 -1.23 0.00 0.00 174.94 173.58 2kks s SER 109 N 0.25 4.50 -0.04 3.58 0.15 -0.63 -1.45 113.70 120.06 2kks s SER 109 Ca 0.03 -0.33 0.20 0.00 0.70 0.00 0.00 55.95 56.54 2kks s SER 109 Cb -0.12 -1.78 0.62 0.00 -1.71 0.00 0.00 66.02 63.03 2kks s SER 109 CO 0.01 -0.01 1.53 0.18 1.20 0.00 0.00 173.24 176.15 2kks n LEU 110 N 4.71 4.08 -0.09 3.45 7.99 -1.24 -3.57 117.00 132.34 2kks n LEU 110 Ca -0.18 -2.17 -0.03 0.00 -0.01 0.00 0.00 56.01 53.63 2kks n LEU 110 Cb 0.51 -0.49 0.21 0.00 -0.11 0.00 0.00 43.42 43.54 2kks n LEU 110 CO 0.30 0.89 0.94 0.00 -1.51 0.00 0.00 177.39 178.01 2kks h ALA 111 N 3.86 1.22 -2.99 -1.18 0.00 -1.78 -3.34 119.26 115.07 2kks h ALA 111 Ca 0.00 -0.22 -0.62 0.00 0.00 0.00 0.00 54.91 54.08 2kks h ALA 111 Cb 1.12 -0.19 -0.40 0.00 0.00 0.00 0.00 17.79 18.31 2kks h ALA 111 CO 0.08 0.52 -0.70 -2.00 0.00 0.00 0.00 179.25 177.15 2kks s GLU 112 N -5.09 1.72 0.21 0.00 2.12 -1.26 -4.98 118.70 111.42 2kks s GLU 112 Ca -0.09 -2.55 0.24 0.00 0.36 0.00 0.00 54.97 52.93 2kks s GLU 112 Cb 0.15 -2.70 0.91 0.00 0.26 0.00 0.00 34.13 32.75 2kks s GLU 112 CO 0.79 -1.23 1.73 -0.35 -0.54 0.00 0.00 175.26 175.67 2kks n PRO 113 N 2.86 0.20 0.07 4.30 -0.04 -1.25 -2.85 135.00 138.28 2kks n PRO 113 Ca 0.15 0.31 -0.01 0.00 -0.04 0.00 0.00 63.50 63.91 2kks n PRO 113 Cb 0.36 -1.80 0.27 0.00 -0.04 0.00 0.00 33.50 32.30 2kks n PRO 113 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 2kks h GLN 114 N 0.00 0.35 -2.27 0.54 3.07 -1.94 -3.34 115.11 111.52 2kks h GLN 114 Ca 0.00 -0.12 -0.55 0.00 0.09 0.00 0.00 58.65 58.07 2kks h GLN 114 Cb 0.51 -0.03 -0.36 0.00 0.08 0.00 0.00 27.48 27.68 2kks h GLN 114 CO 0.00 0.56 -0.92 0.15 0.09 0.00 0.00 178.83 178.71 2kks s LYS 115 N -4.52 0.87 0.17 0.06 -0.14 -1.14 -5.12 119.74 109.93 2kks s LYS 115 Ca -0.06 -1.93 -0.32 0.00 -1.36 0.00 0.00 55.97 52.30 2kks s LYS 115 Cb 0.14 -1.28 -0.12 0.00 -1.68 0.00 0.00 37.83 34.89 2kks s LYS 115 CO 0.76 -1.36 1.74 -0.35 -0.76 0.00 0.00 175.35 175.38 2kks n PRO 116 N 2.99 2.69 -3.25 -1.68 -0.04 -1.13 -4.86 135.00 129.72 2kks n PRO 116 Ca 0.27 0.97 -0.40 0.00 -0.04 0.00 0.00 63.50 64.30 2kks n PRO 116 Cb 0.48 -2.82 -0.08 0.00 -0.04 0.00 0.00 33.50 31.04 2kks n PRO 116 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2kks s VAL 117 N 1.64 5.08 -0.19 0.52 1.01 -1.23 -4.99 120.40 122.24 2kks s VAL 117 Ca 0.78 0.87 -0.01 0.00 0.00 0.00 0.00 61.98 63.62 2kks s VAL 117 Cb -0.53 -3.82 0.01 0.00 0.00 0.00 0.00 36.38 32.04 2kks s VAL 117 CO 0.35 0.10 -0.14 0.00 0.00 0.00 0.00 175.10 175.41 2kks s LYS 119 N 1.30 0.86 -0.08 0.00 1.02 -1.07 -4.94 119.74 116.85 2kks s LYS 119 Ca 0.04 -1.37 0.03 0.00 0.02 0.00 0.00 55.97 54.69 2kks s LYS 119 Cb -0.14 -0.04 -0.02 0.00 -0.52 0.00 0.00 37.83 37.11 2kks s LYS 119 CO -0.08 -0.11 -0.15 0.45 -0.92 0.00 0.00 175.35 174.53 2kks s SER 120 N -3.05 3.88 -0.06 2.83 0.15 -1.26 -0.57 113.70 115.63 2kks s SER 120 Ca 0.16 -0.29 0.02 0.00 0.70 0.00 0.00 55.95 56.54 2kks s SER 120 Cb 0.06 -1.11 0.01 0.00 -1.71 0.00 0.00 66.02 63.28 2kks s SER 120 CO -0.03 0.27 -0.12 -0.36 1.20 0.00 0.00 173.24 174.21 2kks s PHE 121 N -0.28 1.34 -0.51 3.44 0.08 0.60 -0.65 117.98 122.01 2kks s PHE 121 Ca 0.02 -0.46 -0.23 0.00 0.12 0.00 0.00 56.93 56.38 2kks s PHE 121 Cb -0.13 -0.98 0.04 0.00 -0.57 0.00 0.00 43.02 41.38 2kks s PHE 121 CO 0.03 -0.23 0.82 -0.51 -0.10 0.00 0.00 175.22 175.22 2kks s LEU 122 N 0.56 4.35 -0.49 -0.37 1.43 0.24 -3.63 118.68 120.77 2kks s LEU 122 Ca -0.12 -0.42 -0.24 0.00 -1.03 0.00 0.00 54.13 52.33 2kks s LEU 122 Cb -0.14 -2.77 0.03 0.00 0.03 0.00 0.00 46.19 43.34 2kks s LEU 122 CO 0.03 -1.06 0.88 -0.63 0.23 0.00 0.00 176.35 175.80 2kks s ILE 123 N 3.44 4.51 0.29 -0.59 1.01 -1.26 -0.53 121.20 128.06 2kks s ILE 123 Ca 0.26 0.47 0.04 0.00 0.00 0.00 0.00 60.65 61.42 2kks s ILE 123 Cb -0.14 -4.43 0.04 0.00 0.01 0.00 0.00 42.46 37.94 2kks s ILE 123 CO 0.18 -0.88 0.33 0.29 0.00 0.00 0.00 174.94 174.86 2kks n LYS 124 N 7.09 0.91 0.14 2.79 4.76 0.33 -4.03 118.16 130.15 2kks n LYS 124 Ca 0.03 -1.63 -0.13 0.00 -2.87 0.00 0.00 58.31 53.71 2kks n LYS 124 Cb 0.48 -0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.59 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 -0.36 0.15 1.97 3.64 -1.95 -3.36 116.57 116.66 2kks h LYS 125 Ca -0.15 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 2kks h LYS 125 Cb 0.63 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 2kks h LYS 125 CO 0.23 -0.03 -0.07 -0.44 -2.27 0.00 0.00 179.45 176.87 2kks h ASP 126 N -0.76 -0.17 0.00 4.20 3.32 -2.01 -3.49 116.42 117.52 2kks h ASP 126 Ca -0.04 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.64 2kks h ASP 126 Cb 0.50 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.09 2kks h ASP 126 CO 0.06 0.35 0.00 0.61 -1.72 0.00 0.00 179.24 178.54 2kks n GLY 127 N 0.38 3.55 3.28 2.75 0.00 -1.26 -5.17 105.19 108.72 2kks n GLY 127 Ca -0.08 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 2kks n GLY 127 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kks s VAL 128 N -2.07 2.08 -0.10 1.61 1.01 -1.26 -0.52 120.40 121.15 2kks s VAL 128 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 60.92 2kks s VAL 128 Cb 0.00 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 2kks s VAL 128 CO 0.00 0.57 -0.10 -0.62 0.00 0.00 0.00 175.10 174.95 2kks s ASP 129 N -0.23 4.29 -0.17 3.32 -1.08 0.31 -4.94 116.67 118.17 2kks s ASP 129 Ca -0.02 -0.19 -0.14 0.00 -0.52 0.00 0.00 52.55 51.68 2kks s ASP 129 Cb -0.13 -1.35 -0.05 0.00 -1.46 0.00 0.00 42.92 39.93 2kks s ASP 129 CO 0.03 0.26 0.31 -1.83 0.52 0.00 0.00 175.17 174.46 2kks s GLU 130 N -0.18 4.24 0.10 4.34 -1.05 -1.26 0.82 118.70 125.71 2kks s GLU 130 Ca 0.01 0.11 0.01 0.00 -0.15 0.00 0.00 54.97 54.95 2kks s GLU 130 Cb -0.13 -3.45 -0.04 0.00 -0.44 0.00 0.00 34.13 30.07 2kks s GLU 130 CO 0.03 0.18 0.21 -2.00 0.95 0.00 0.00 175.26 174.63 2kks s GLU 131 N 0.65 3.33 -0.12 -4.83 2.56 0.18 -4.96 118.70 115.51 2kks s GLU 131 Ca 0.17 -0.55 -0.06 0.00 0.00 0.00 0.00 54.97 54.52 2kks s GLU 131 Cb -0.13 -2.95 -0.04 0.00 2.00 0.00 0.00 34.13 33.01 2kks s GLU 131 CO 0.05 0.57 0.13 -2.00 -0.56 0.00 0.00 175.26 173.44 2kks s GLU 132 N -2.74 3.39 -0.18 4.30 2.56 -1.26 -4.09 118.70 120.67 2kks s GLU 132 Ca 0.34 -0.16 -0.06 0.00 0.00 0.00 0.00 54.97 55.09 2kks s GLU 132 Cb -0.12 -3.15 -0.03 0.00 2.00 0.00 0.00 34.13 32.83 2kks s GLU 132 CO 0.27 0.77 0.03 0.42 -0.56 0.00 0.00 175.26 176.19 2kks s ILE 133 N -1.02 4.38 -0.12 -3.70 1.01 -1.26 -2.89 121.20 117.60 2kks s ILE 133 Ca 0.15 -0.17 -0.07 0.00 0.00 0.00 0.00 60.65 60.56 2kks s ILE 133 Cb -0.12 -2.97 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 2kks s ILE 133 CO 0.04 0.45 0.13 -0.63 0.00 0.00 0.00 174.94 174.93 2kks s ILE 134 N 0.58 5.38 -0.10 2.92 -1.09 0.11 -5.00 121.20 124.00 2kks s ILE 134 Ca 0.01 0.16 -0.02 0.00 -2.23 0.00 0.00 60.65 58.57 2kks s ILE 134 Cb -0.13 -3.34 -0.03 0.00 -1.58 0.00 0.00 42.46 37.37 2kks s ILE 134 CO 0.02 0.61 -0.00 -0.76 -1.23 0.00 0.00 174.94 173.57 2kks s LEU 135 N -0.91 3.53 0.10 2.97 1.43 -1.26 -0.93 118.68 123.61 2kks s LEU 135 Ca 0.14 0.10 0.10 0.00 -1.03 0.00 0.00 54.13 53.44 2kks s LEU 135 Cb -0.12 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 2kks s LEU 135 CO 0.03 0.34 -0.25 -0.54 0.23 0.00 0.00 176.35 176.16 2kks s LYS 136 N -0.66 1.44 0.31 1.70 1.02 -0.56 -4.94 119.74 118.04 2kks s LYS 136 Ca 0.11 -1.23 0.15 0.00 0.02 0.00 0.00 55.97 55.01 2kks s LYS 136 Cb -0.12 -1.80 0.43 0.00 -0.52 0.00 0.00 37.83 35.83 2kks s LYS 136 CO 0.02 0.44 1.62 0.93 -0.92 0.00 0.00 175.35 177.44 2kks h GLU 137 N 4.19 0.00 -4.26 1.68 3.07 -1.97 -2.91 114.58 114.38 2kks h GLU 137 Ca -0.49 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.21 2kks h GLU 137 Cb 1.16 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 28.94 2kks h GLU 137 CO 0.40 0.51 -0.51 -2.00 -1.40 0.00 0.00 179.01 176.02 2kks s GLU 138 N -3.44 1.11 0.62 2.33 2.12 -1.26 -4.69 118.70 115.49 2kks s GLU 138 Ca 0.00 -1.40 -0.10 0.00 0.36 0.00 0.00 54.97 53.83 2kks s GLU 138 Cb 0.11 0.31 0.15 0.00 0.26 0.00 0.00 34.13 34.95 2kks s GLU 138 CO 0.73 -0.37 0.66 1.28 -0.54 0.00 0.00 175.26 177.01 2kks n LEU 139 N -0.20 0.00 -0.66 2.70 4.77 -1.26 -4.88 117.00 117.47 2kks n LEU 139 Ca -0.04 -0.71 0.12 0.00 -0.03 0.00 0.00 56.01 55.35 2kks n LEU 139 Cb 0.64 -0.55 0.06 0.00 -2.33 0.00 0.00 43.42 41.24 2kks n LEU 139 CO 0.29 -1.38 0.45 1.21 -1.33 0.00 0.00 177.39 176.63 2kks n GLU 140 N -3.01 1.62 -4.30 3.23 4.07 -1.26 -4.92 120.64 116.07 2kks n GLU 140 Ca 0.09 -1.32 -0.25 0.00 -0.06 0.00 0.00 57.16 55.62 2kks n GLU 140 Cb 0.32 -1.47 -0.08 0.00 -0.06 0.00 0.00 31.44 30.15 2kks n GLU 140 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 2kks s HIS 141 N -2.29 2.57 -0.83 4.31 3.76 -1.26 -5.07 115.29 116.48 2kks s HIS 141 Ca 0.23 -0.46 -0.21 0.00 -0.15 0.00 0.00 55.06 54.47 2kks s HIS 141 Cb 0.19 -1.57 0.10 0.00 1.11 0.00 0.00 32.58 32.40 2kks s HIS 141 CO 0.46 0.43 1.10 -1.01 -0.85 0.00 0.00 174.74 174.87 2kks s HIS 142 N -2.53 2.88 0.35 1.40 3.76 -1.26 -5.00 115.29 114.89 2kks s HIS 142 Ca 0.36 -0.99 0.03 0.00 -0.15 0.00 0.00 55.06 54.30 2kks s HIS 142 Cb 0.01 -4.33 -0.02 0.00 1.11 0.00 0.00 32.58 29.35 2kks s HIS 142 CO 0.20 -1.60 0.53 -1.01 -0.85 0.00 0.00 174.74 172.00 2kks s HIS 143 N 3.49 3.32 -1.26 1.40 3.76 -1.26 -4.45 115.29 120.29 2kks s HIS 143 Ca 0.30 0.10 -0.07 0.00 -0.15 0.00 0.00 55.06 55.25 2kks s HIS 143 Cb -0.09 -1.97 0.01 0.00 1.11 0.00 0.00 32.58 31.64 2kks s HIS 143 CO -0.02 0.02 0.89 0.72 -0.85 0.00 0.00 174.74 175.51 2kks n HIS 144 N -1.76 -2.31 -2.27 1.40 8.25 -1.26 -4.88 115.22 112.40 2kks n HIS 144 Ca -0.03 0.76 -0.38 0.00 -0.26 0.00 0.00 57.72 57.81 2kks n HIS 144 Cb 0.57 -4.43 -0.02 0.00 1.12 0.00 0.00 29.99 27.22 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 -4.62 3.81 -1.55 4.41 1.44 -1.26 -5.32 115.22 112.13 2kks n HIS 145 Ca -0.03 -2.36 0.00 0.00 -2.01 0.00 0.00 57.72 53.33 2kks n HIS 145 Cb 0.57 -2.58 0.00 0.00 0.12 0.00 0.00 29.99 28.10 2kks n HIS 145 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11