#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kks s ILE 2 N 0.00 1.15 -0.20 3.17 2.07 -0.85 -2.80 121.20 123.74 2kks s ILE 2 Ca 0.00 -0.41 -0.06 0.00 -1.41 0.00 0.00 60.65 58.77 2kks s ILE 2 Cb 0.00 -1.11 -0.03 0.00 0.13 0.00 0.00 42.46 41.45 2kks s ILE 2 CO 0.00 0.38 0.03 -0.89 -1.91 0.00 0.00 174.94 172.54 2kks s THR 3 N 1.28 4.25 0.15 4.00 2.01 -0.24 0.12 115.64 127.21 2kks s THR 3 Ca -0.03 -0.21 -0.07 0.00 0.31 0.00 0.00 61.69 61.70 2kks s THR 3 Cb -0.14 -2.93 -0.02 0.00 0.01 0.00 0.00 72.50 69.43 2kks s THR 3 CO -0.04 0.42 0.21 -1.48 -0.69 0.00 0.00 174.62 173.04 2kks s LEU 4 N 0.88 1.24 0.33 4.42 0.05 -0.53 -0.29 118.68 124.78 2kks s LEU 4 Ca 0.02 -0.96 0.07 0.00 0.05 0.00 0.00 54.13 53.31 2kks s LEU 4 Cb -0.14 0.91 -0.01 0.00 -2.05 0.00 0.00 46.19 44.90 2kks s LEU 4 CO 0.02 -0.83 0.44 0.42 -0.55 0.00 0.00 176.35 175.85 2kks s THR 5 N -3.98 4.10 0.26 5.48 -4.23 -1.26 -0.69 115.64 115.32 2kks s THR 5 Ca 0.18 -1.03 -0.02 0.00 -1.18 0.00 0.00 61.69 59.64 2kks s THR 5 Cb 0.05 -3.42 0.24 0.00 1.34 0.00 0.00 72.50 70.71 2kks s THR 5 CO -0.00 -0.17 1.81 0.11 -0.54 0.00 0.00 174.62 175.82 2kks h LYS 6 N 0.95 0.78 -0.50 3.99 1.79 -1.21 -0.98 116.57 121.39 2kks h LYS 6 Ca -0.46 -0.05 0.05 0.00 -2.18 0.00 0.00 60.65 58.02 2kks h LYS 6 Cb 1.25 -0.18 -0.05 0.00 -1.58 0.00 0.00 32.23 31.68 2kks h LYS 6 CO 0.54 0.52 0.23 -0.22 -1.08 0.00 0.00 179.45 179.43 2kks h LYS 7 N 0.80 0.43 -0.43 3.15 3.11 -1.85 0.31 116.57 122.11 2kks h LYS 7 Ca 0.44 -0.03 -0.03 0.00 -2.81 0.00 0.00 60.65 58.22 2kks h LYS 7 Cb 0.46 -0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 31.58 2kks h LYS 7 CO -0.28 0.29 0.14 1.96 -2.81 0.00 0.00 179.45 178.74 2kks h GLN 8 N 0.45 0.66 -0.40 1.90 1.08 -1.70 0.57 115.11 117.66 2kks h GLN 8 Ca 0.23 -0.14 -0.00 0.00 -1.45 0.00 0.00 58.65 57.29 2kks h GLN 8 Cb 0.18 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 2kks h GLN 8 CO -0.19 0.65 0.25 1.98 -0.95 0.00 0.00 178.83 180.57 2kks h MET 9 N 0.55 0.54 -1.01 1.46 4.05 -0.73 -0.76 114.93 119.04 2kks h MET 9 Ca 0.14 -0.05 0.03 0.00 -0.28 0.00 0.00 59.70 59.54 2kks h MET 9 Cb 0.26 -0.12 -0.06 0.00 -0.80 0.00 0.00 31.60 30.89 2kks h MET 9 CO -0.00 0.39 0.66 0.93 0.23 0.00 0.00 176.91 179.12 2kks h GLU 10 N 0.53 1.26 -0.68 0.39 4.39 -0.17 0.30 114.58 120.61 2kks h GLU 10 Ca 0.15 -0.08 -0.05 0.00 0.34 0.00 0.00 59.36 59.72 2kks h GLU 10 Cb -0.01 -0.28 -0.03 0.00 -0.10 0.00 0.00 28.75 28.32 2kks h GLU 10 CO -0.03 0.83 0.23 0.93 -1.16 0.00 0.00 179.01 179.82 2kks h GLU 11 N 1.30 1.05 -0.18 2.33 5.08 -0.31 0.53 114.58 124.38 2kks h GLU 11 Ca 0.39 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.47 2kks h GLU 11 Cb -0.03 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 2kks h GLU 11 CO -0.12 0.90 -0.17 0.52 -1.00 0.00 0.00 179.01 179.14 2kks h MET 12 N 0.99 0.43 -0.46 2.33 2.86 -0.52 -2.83 114.93 117.74 2kks h MET 12 Ca 0.22 -0.23 0.01 0.00 -2.06 0.00 0.00 59.70 57.64 2kks h MET 12 Cb 0.27 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 2kks h MET 12 CO -0.01 0.79 0.30 -0.07 1.06 0.00 0.00 176.91 178.98 2kks h LEU 13 N 0.09 0.51 -0.73 1.22 3.38 -0.23 0.10 115.31 119.66 2kks h LEU 13 Ca 0.03 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2kks h LEU 13 Cb 0.71 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 2kks h LEU 13 CO 0.04 0.37 0.33 0.00 0.09 0.00 0.00 178.44 179.27 2kks h ALA 14 N 1.17 0.94 -0.18 1.53 0.00 -0.96 -0.41 119.26 121.36 2kks h ALA 14 Ca 0.17 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2kks h ALA 14 Cb -0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 2kks h ALA 14 CO -0.04 0.53 -0.38 1.25 0.00 0.00 0.00 179.25 180.60 2kks h HIS 15 N 1.03 0.45 -0.44 0.00 -0.00 -1.19 -0.97 115.15 114.03 2kks h HIS 15 Ca 0.25 -0.12 -0.12 0.00 -0.00 0.00 0.00 60.37 60.38 2kks h HIS 15 Cb 0.15 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.45 2kks h HIS 15 CO 0.01 0.72 -0.20 0.00 -0.00 0.00 0.00 177.93 178.46 2kks h ALA 16 N 1.27 0.61 -0.66 5.26 0.00 -0.34 0.14 119.26 125.53 2kks h ALA 16 Ca 0.03 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2kks h ALA 16 Cb 0.82 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2kks h ALA 16 CO 0.07 0.58 0.37 -0.09 0.00 0.00 0.00 179.25 180.18 2kks h ARG 17 N 0.74 0.91 -0.47 0.00 2.43 -0.87 -2.47 114.38 114.65 2kks h ARG 17 Ca 0.10 -0.10 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 2kks h ARG 17 Cb 0.77 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 2kks h ARG 17 CO 0.06 0.68 -0.02 0.37 -1.51 0.00 0.00 179.97 179.55 2kks h GLN 18 N 0.90 0.78 0.00 0.20 4.15 -0.84 -3.00 115.11 117.30 2kks h GLN 18 Ca 0.23 -0.22 0.00 0.00 0.77 0.00 0.00 58.65 59.43 2kks h GLN 18 Cb 0.02 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.63 2kks h GLN 18 CO -0.04 0.80 0.00 0.00 -1.93 0.00 0.00 178.83 177.67 2kks n ALA 19 N -2.48 1.95 -1.70 3.38 0.00 0.45 -4.84 120.51 117.27 2kks n ALA 19 Ca 0.02 0.03 -0.40 0.00 0.00 0.00 0.00 53.44 53.09 2kks n ALA 19 Cb 0.31 -1.42 0.02 0.00 0.00 0.00 0.00 19.45 18.36 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 -2.20 4.18 -1.99 0.00 4.77 -1.01 -0.44 117.00 120.32 2kks n LEU 20 Ca 0.04 1.07 -0.20 0.00 -0.03 0.00 0.00 56.01 56.88 2kks n LEU 20 Cb 0.32 -1.50 0.12 0.00 -2.33 0.00 0.00 43.42 40.03 2kks n LEU 20 CO 0.24 -0.74 1.17 -0.81 -1.33 0.00 0.00 177.39 175.91 2kks n PRO 21 N -0.18 2.04 -1.45 3.23 -0.04 -1.26 -5.08 135.00 132.26 2kks n PRO 21 Ca 0.08 -2.37 -0.05 0.00 -0.04 0.00 0.00 63.50 61.11 2kks n PRO 21 Cb 0.41 -1.93 0.02 0.00 -0.04 0.00 0.00 33.50 31.96 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 -0.68 0.52 -4.70 3.54 4.13 0.42 -4.82 115.26 113.69 2kks n ASN 22 Ca 0.47 -1.39 -0.38 0.00 1.68 0.00 0.00 54.58 54.96 2kks n ASN 22 Cb 1.23 -0.12 -0.07 0.00 -1.54 0.00 0.00 39.78 39.28 2kks n ASN 22 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 2kks s GLU 23 N -2.78 4.26 0.26 3.52 1.03 -1.26 -4.59 118.70 119.14 2kks s GLU 23 Ca 0.17 0.36 -0.29 0.00 0.03 0.00 0.00 54.97 55.23 2kks s GLU 23 Cb -0.01 -3.49 -0.09 0.00 -0.80 0.00 0.00 34.13 29.73 2kks s GLU 23 CO 0.11 0.04 1.21 0.00 -1.33 0.00 0.00 175.26 175.28 2kks s ALA 24 N 1.03 3.46 0.19 -0.84 0.00 -1.25 -4.80 121.76 119.54 2kks s ALA 24 Ca 0.23 1.04 -0.04 0.00 0.00 0.00 0.00 51.96 53.19 2kks s ALA 24 Cb -0.15 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 2kks s ALA 24 CO 0.09 -0.39 0.20 0.00 0.00 0.00 0.00 175.76 175.66 2kks n GLY 26 N -0.24 -1.76 3.35 0.00 0.00 -1.16 -2.51 105.19 102.86 2kks n GLY 26 Ca -0.02 -1.23 -0.23 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.06 0.99 1.43 0.45 -3.17 118.68 120.74 2kks s LEU 27 Ca 0.00 -0.84 0.05 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 45.30 2kks s LEU 27 CO 0.00 0.01 -0.23 -0.76 0.23 0.00 0.00 176.35 175.61 2kks s LEU 28 N -2.59 2.02 0.18 1.79 1.43 -0.61 -1.03 118.68 119.89 2kks s LEU 28 Ca 0.16 -0.48 0.10 0.00 -1.03 0.00 0.00 54.13 52.88 2kks s LEU 28 Cb -0.07 -1.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 2kks s LEU 28 CO 0.07 0.20 -0.21 -0.83 0.23 0.00 0.00 176.35 175.81 2kks s GLY 29 N 0.01 1.55 0.00 -3.19 0.00 0.80 -0.98 107.32 105.51 2kks s GLY 29 Ca -0.07 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.07 2kks s GLY 29 CO 0.04 -1.62 0.00 0.61 0.00 0.00 0.00 173.10 172.13 2kks n GLY 30 N 0.22 -0.40 3.39 0.20 0.00 -0.55 -1.16 105.19 106.89 2kks n GLY 30 Ca -0.12 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.78 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 1.74 -0.02 1.61 3.52 -0.82 -1.35 118.95 121.63 2kks s ARG 31 Ca 0.00 -1.16 0.04 0.00 -0.13 0.00 0.00 55.73 54.48 2kks s ARG 31 Cb 0.00 -2.01 -0.01 0.00 -1.56 0.00 0.00 34.95 31.37 2kks s ARG 31 CO 0.00 0.50 -0.15 -0.98 -0.81 0.00 0.00 175.30 173.86 2kks s ARG 32 N -1.61 1.33 -0.11 5.12 1.70 -1.26 0.00 118.95 124.12 2kks s ARG 32 Ca 0.14 -0.53 -0.12 0.00 -0.47 0.00 0.00 55.73 54.75 2kks s ARG 32 Cb -0.10 -1.24 0.03 0.00 -0.57 0.00 0.00 34.95 33.06 2kks s ARG 32 CO 0.05 0.28 0.33 0.34 -1.08 0.00 0.00 175.30 175.22 2kks s ASP 33 N -0.20 -0.33 0.33 -2.89 2.15 0.09 -4.96 116.67 110.86 2kks s ASP 33 Ca 0.03 0.62 0.00 0.00 0.43 0.00 0.00 52.55 53.62 2kks s ASP 33 Cb -0.08 0.65 0.00 0.00 -0.30 0.00 0.00 42.92 43.19 2kks s ASP 33 CO 0.00 -0.14 0.00 0.61 -0.17 0.00 0.00 175.17 175.47 2kks n GLY 34 N 2.76 0.96 0.17 2.66 0.00 -1.26 -0.86 105.19 109.62 2kks n GLY 34 Ca -0.14 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 5.97 0.00 -4.92 1.61 -0.08 -1.26 -5.11 116.55 112.76 2kks n ASP 35 Ca 0.00 -1.24 -0.29 0.00 -1.51 0.00 0.00 54.79 51.74 2kks n ASP 35 Cb 0.00 -0.05 -0.04 0.00 2.34 0.00 0.00 41.12 43.37 2kks n ASP 35 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 2kks s ASP 36 N -0.24 6.41 -0.04 1.67 1.01 -0.04 -4.70 116.67 120.74 2kks s ASP 36 Ca 0.00 0.42 0.03 0.00 0.71 0.00 0.00 52.55 53.71 2kks s ASP 36 Cb 0.00 -2.02 0.01 0.00 1.01 0.00 0.00 42.92 41.92 2kks s ASP 36 CO 0.00 0.04 -0.11 -0.13 0.21 0.00 0.00 175.17 175.17 2kks s ARG 37 N -2.94 1.33 -0.24 8.23 3.00 -1.12 -0.73 118.95 126.48 2kks s ARG 37 Ca 0.38 -0.39 -0.01 0.00 0.00 0.00 0.00 55.73 55.71 2kks s ARG 37 Cb -0.12 -1.17 0.03 0.00 0.00 0.00 0.00 34.95 33.68 2kks s ARG 37 CO 0.27 0.11 -0.07 -1.58 0.00 0.00 0.00 175.30 174.03 2kks s TRP 38 N 0.34 3.05 -0.47 -0.53 0.51 0.10 -1.08 118.94 120.86 2kks s TRP 38 Ca -0.07 -1.56 -0.22 0.00 -2.12 0.00 0.00 56.10 52.12 2kks s TRP 38 Cb -0.12 -2.05 0.03 0.00 -0.81 0.00 0.00 33.47 30.53 2kks s TRP 38 CO 0.02 -0.73 0.77 0.08 -0.51 0.00 0.00 176.95 176.58 2kks s VAL 39 N 1.32 4.66 -0.68 4.03 1.01 0.61 -1.94 120.40 129.40 2kks s VAL 39 Ca 0.00 0.24 0.08 0.00 0.00 0.00 0.00 61.98 62.30 2kks s VAL 39 Cb -0.16 -4.34 -0.01 0.00 0.00 0.00 0.00 36.38 31.87 2kks s VAL 39 CO -0.05 -0.78 0.53 -1.84 0.00 0.00 0.00 175.10 172.96 2kks n GLU 40 N 6.72 2.44 -3.96 2.72 -0.00 -0.87 -4.50 120.64 123.19 2kks n GLU 40 Ca 0.01 -0.48 -0.22 0.00 -0.00 0.00 0.00 57.16 56.47 2kks n GLU 40 Cb 0.48 -1.00 -0.17 0.00 -0.00 0.00 0.00 31.44 30.75 2kks n GLU 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2kks s ARG 41 N -1.21 0.75 -0.18 3.44 0.52 -0.31 -4.98 118.95 116.99 2kks s ARG 41 Ca 0.06 -0.01 0.01 0.00 -0.52 0.00 0.00 55.73 55.27 2kks s ARG 41 Cb 0.06 -0.93 0.02 0.00 0.52 0.00 0.00 34.95 34.62 2kks s ARG 41 CO 0.20 -0.20 -0.20 0.08 0.02 0.00 0.00 175.30 175.21 2kks s VAL 42 N 1.45 2.03 -0.59 3.52 1.01 -1.26 -0.14 120.40 126.41 2kks s VAL 42 Ca -0.03 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.07 2kks s VAL 42 Cb -0.13 -1.83 0.15 0.00 0.00 0.00 0.00 36.38 34.56 2kks s VAL 42 CO -0.03 0.53 0.36 -0.31 0.00 0.00 0.00 175.10 175.65 2kks s TYR 43 N 1.29 3.33 -0.75 5.22 2.02 -0.19 -5.02 117.35 123.25 2kks s TYR 43 Ca 0.05 -3.19 -0.26 0.00 -0.37 0.00 0.00 57.07 53.30 2kks s TYR 43 Cb -0.13 -2.83 0.01 0.00 -0.40 0.00 0.00 41.96 38.61 2kks s TYR 43 CO -0.13 -0.69 1.55 -2.14 -1.57 0.00 0.00 175.55 172.57 2kks s PRO 44 N -0.65 3.01 0.74 -1.71 0.02 -1.26 -0.42 135.00 134.73 2kks s PRO 44 Ca 0.20 -0.10 -0.06 0.00 0.02 0.00 0.00 61.00 61.06 2kks s PRO 44 Cb -0.19 -4.49 0.10 0.00 0.02 0.00 0.00 34.50 29.94 2kks s PRO 44 CO -0.05 -2.46 1.05 -0.51 -0.33 0.00 0.00 177.00 174.69 2kks s LEU 45 N 7.10 2.87 0.17 -5.54 1.43 -1.04 -4.92 118.68 118.74 2kks s LEU 45 Ca 0.50 0.20 0.05 0.00 -1.03 0.00 0.00 54.13 53.84 2kks s LEU 45 Cb -0.08 -2.68 -0.04 0.00 0.03 0.00 0.00 46.19 43.42 2kks s LEU 45 CO 0.12 -1.83 0.17 0.21 0.23 0.00 0.00 176.35 175.25 2kks s ASN 46 N -4.63 5.68 -0.61 2.29 2.47 -1.26 -4.28 114.94 114.60 2kks s ASN 46 Ca 0.64 -0.08 -0.28 0.00 0.42 0.00 0.00 52.86 53.56 2kks s ASN 46 Cb -0.08 -1.53 0.03 0.00 -1.45 0.00 0.00 41.25 38.22 2kks s ASN 46 CO 0.46 0.06 1.23 0.21 -3.72 0.00 0.00 177.10 175.34 2kks s ASN 47 N -3.16 6.36 0.46 -4.21 3.84 -1.26 -4.35 114.94 112.62 2kks s ASN 47 Ca 0.32 0.00 0.31 0.00 0.21 0.00 0.00 52.86 53.70 2kks s ASN 47 Cb -0.10 -2.55 1.54 0.00 -0.55 0.00 0.00 41.25 39.59 2kks s ASN 47 CO 0.24 -1.58 1.95 -0.07 -2.79 0.00 0.00 177.10 174.85 2kks h LEU 48 N 12.26 0.00 0.00 3.21 -0.00 -1.10 -0.74 115.31 128.94 2kks h LEU 48 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.62 2kks h LEU 48 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.72 2kks h LEU 48 CO 1.21 0.00 -1.43 0.47 -0.00 0.00 0.00 178.44 178.69 2kks n ASP 49 N -2.66 0.74 -3.90 -0.43 8.00 -1.26 -4.98 116.55 112.05 2kks n ASP 49 Ca -0.01 -0.41 -0.31 0.00 0.71 0.00 0.00 54.79 54.77 2kks n ASP 49 Cb 0.14 1.49 -0.04 0.00 -0.02 0.00 0.00 41.12 42.69 2kks n ASP 49 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kks n GLN 50 N -1.84 -2.19 -4.23 -1.24 10.64 -0.28 -4.93 117.38 113.31 2kks n GLN 50 Ca -0.00 0.24 -0.17 0.00 -1.83 0.00 0.00 57.00 55.24 2kks n GLN 50 Cb 0.40 -4.87 -0.14 0.00 -0.86 0.00 0.00 30.24 24.78 2kks n GLN 50 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2kks s SER 51 N -2.94 0.93 0.00 2.61 0.15 -1.26 -5.00 113.70 108.18 2kks s SER 51 Ca 0.59 -0.26 0.27 0.00 0.70 0.00 0.00 55.95 57.26 2kks s SER 51 Cb -0.34 -0.07 1.34 0.00 -1.71 0.00 0.00 66.02 65.25 2kks s SER 51 CO 0.73 0.02 1.92 -2.65 1.20 0.00 0.00 173.24 174.46 2kks n PRO 52 N 2.48 0.33 0.00 5.44 -0.02 -1.26 -2.37 135.00 139.60 2kks n PRO 52 Ca -0.16 0.03 0.12 0.00 -2.02 0.00 0.00 63.50 61.48 2kks n PRO 52 Cb 0.57 -1.50 0.32 0.00 -0.02 0.00 0.00 33.50 32.86 2kks n PRO 52 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2kks n GLU 53 N -1.32 0.25 -3.80 -0.52 1.02 -1.26 -4.92 120.64 110.09 2kks n GLU 53 Ca 0.12 -0.14 -0.19 0.00 -0.02 0.00 0.00 57.16 56.94 2kks n GLU 53 Cb 0.23 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.10 2kks n GLU 53 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2kks n HIS 54 N -1.26 0.04 -2.99 -0.32 8.25 -1.00 -5.14 115.22 112.80 2kks n HIS 54 Ca 0.08 -1.98 0.03 0.00 -0.26 0.00 0.00 57.72 55.58 2kks n HIS 54 Cb 0.34 0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.46 2kks n HIS 54 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2kks s PHE 55 N -2.73 -0.85 -0.03 4.41 5.36 -1.26 -4.74 117.98 118.13 2kks s PHE 55 Ca 0.17 0.25 0.01 0.00 -0.96 0.00 0.00 56.93 56.40 2kks s PHE 55 Cb 0.01 0.15 0.02 0.00 -0.34 0.00 0.00 43.02 42.86 2kks s PHE 55 CO 0.12 -0.55 -0.03 -1.12 -1.46 0.00 0.00 175.22 172.17 2kks s SER 56 N 2.23 0.66 0.00 6.13 0.01 -1.26 -4.99 113.70 116.48 2kks s SER 56 Ca 0.17 -0.08 0.09 0.00 1.31 0.00 0.00 55.95 57.44 2kks s SER 56 Cb -0.01 -0.26 0.24 0.00 0.21 0.00 0.00 66.02 66.20 2kks s SER 56 CO -0.16 -0.03 1.16 0.23 0.41 0.00 0.00 173.24 174.85 2kks n MET 57 N 3.74 2.50 -0.53 12.44 2.81 -1.26 -0.44 117.12 136.37 2kks n MET 57 Ca -0.22 -1.84 0.00 0.00 -1.81 0.00 0.00 57.70 53.83 2kks n MET 57 Cb 0.53 -1.23 0.00 0.00 -0.71 0.00 0.00 33.22 31.81 2kks n MET 57 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2kks n ASP 58 N 0.41 -3.49 -0.06 7.83 2.03 -1.26 -4.30 116.55 117.70 2kks n ASP 58 Ca 0.09 0.42 -0.07 0.00 0.52 0.00 0.00 54.79 55.76 2kks n ASP 58 Cb 0.38 -0.94 0.11 0.00 -0.72 0.00 0.00 41.12 39.95 2kks n ASP 58 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2kks h PRO 59 N 0.52 0.70 0.02 -0.67 0.11 -1.99 -2.66 132.00 128.04 2kks h PRO 59 Ca 0.00 -0.29 -0.25 0.00 0.11 0.00 0.00 66.00 65.57 2kks h PRO 59 Cb 0.02 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 31.11 2kks h PRO 59 CO 0.00 0.89 -1.02 0.00 -0.21 0.00 0.00 178.00 177.66 2kks h ARG 60 N 0.61 0.50 -0.28 1.05 3.08 -1.98 0.27 114.38 117.62 2kks h ARG 60 Ca 0.08 -0.56 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2kks h ARG 60 Cb 0.75 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 2kks h ARG 60 CO 0.06 1.20 0.19 0.93 -1.07 0.00 0.00 179.97 181.27 2kks h GLU 61 N 0.27 0.37 -0.15 0.04 4.39 -1.77 -1.11 114.58 116.61 2kks h GLU 61 Ca -0.11 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.55 2kks h GLU 61 Cb 1.67 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 30.23 2kks h GLU 61 CO 0.18 0.24 0.03 1.96 -1.16 0.00 0.00 179.01 180.27 2kks h GLN 62 N 0.38 0.25 -0.51 2.33 4.20 -1.38 -2.73 115.11 117.66 2kks h GLN 62 Ca 0.10 -0.06 0.05 0.00 0.06 0.00 0.00 58.65 58.80 2kks h GLN 62 Cb -0.04 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.66 2kks h GLN 62 CO -0.02 0.42 0.24 1.25 -0.67 0.00 0.00 178.83 180.05 2kks h LEU 63 N 0.04 0.33 -0.74 1.46 5.85 -0.32 0.49 115.31 122.43 2kks h LEU 63 Ca 0.05 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 2kks h LEU 63 Cb 0.28 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 2kks h LEU 63 CO 0.00 0.23 0.25 0.74 -0.34 0.00 0.00 178.44 179.32 2kks h THR 64 N 0.47 1.26 -0.24 1.05 2.02 -1.20 0.25 112.91 116.52 2kks h THR 64 Ca 0.23 -0.88 -0.05 0.00 0.77 0.00 0.00 66.41 66.48 2kks h THR 64 Cb 0.17 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 2kks h THR 64 CO -0.18 0.35 -0.06 0.00 0.37 0.00 0.00 175.52 176.00 2kks h ALA 65 N 1.12 0.33 -0.71 6.16 0.00 -1.08 -0.62 119.26 124.47 2kks h ALA 65 Ca 0.24 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2kks h ALA 65 Cb 0.28 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2kks h ALA 65 CO -0.01 0.12 0.29 0.28 0.00 0.00 0.00 179.25 179.93 2kks h VAL 66 N 0.20 1.25 -0.80 0.00 2.07 -0.72 -1.30 116.25 116.95 2kks h VAL 66 Ca 0.06 -0.77 -0.04 0.00 0.82 0.00 0.00 66.70 66.77 2kks h VAL 66 Cb 0.52 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 2kks h VAL 66 CO 0.02 0.31 0.34 0.50 0.02 0.00 0.00 177.57 178.76 2kks h LYS 67 N 1.01 1.18 -0.18 1.57 3.64 -0.87 -0.34 116.57 122.58 2kks h LYS 67 Ca 0.24 -0.20 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 2kks h LYS 67 Cb 0.21 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 2kks h LYS 67 CO -0.02 0.94 0.07 0.22 -2.27 0.00 0.00 179.45 178.39 2kks h ASP 68 N 1.15 0.08 -0.27 4.20 3.58 -0.53 0.21 116.42 124.84 2kks h ASP 68 Ca 0.27 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.74 2kks h ASP 68 Cb 0.19 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 2kks h ASP 68 CO -0.03 0.07 0.17 0.24 -2.88 0.00 0.00 179.24 176.82 2kks h MET 69 N 0.16 0.36 -0.52 0.28 2.86 -1.01 -2.92 114.93 114.14 2kks h MET 69 Ca 0.08 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 2kks h MET 69 Cb 0.04 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 2kks h MET 69 CO -0.07 0.26 0.22 0.00 1.06 0.00 0.00 176.91 178.37 2kks h ARG 70 N 0.36 0.74 -1.00 1.72 2.47 -0.67 0.11 114.38 118.11 2kks h ARG 70 Ca 0.10 -0.10 0.05 0.00 -1.26 0.00 0.00 59.98 58.77 2kks h ARG 70 Cb -0.02 -0.14 -0.06 0.00 -1.65 0.00 0.00 29.97 28.10 2kks h ARG 70 CO -0.02 0.60 0.65 -0.22 0.56 0.00 0.00 179.97 181.54 2kks h LYS 71 N 0.74 1.19 -0.15 0.04 3.64 -0.39 -1.83 116.57 119.80 2kks h LYS 71 Ca 0.18 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2kks h LYS 71 Cb 0.12 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 2kks h LYS 71 CO -0.02 0.79 0.00 -1.71 -2.27 0.00 0.00 179.45 176.24 2kks n ASN 72 N -4.47 2.48 0.00 4.20 5.15 -1.02 -4.92 115.26 116.68 2kks n ASN 72 Ca 0.14 -1.82 0.00 0.00 -0.60 0.00 0.00 54.58 52.30 2kks n ASN 72 Cb 0.13 -0.09 0.00 0.00 -0.53 0.00 0.00 39.78 39.30 2kks n ASN 72 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kks n GLY 73 N 1.30 0.83 2.91 8.20 0.00 -0.69 -5.08 105.19 112.67 2kks n GLY 73 Ca 0.17 -0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 2kks n GLY 73 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2kks n TRP 74 N -2.28 -1.56 -4.30 1.61 8.01 0.35 -4.98 117.44 114.29 2kks n TRP 74 Ca 0.00 -1.69 -0.16 0.00 -1.31 0.00 0.00 57.50 54.34 2kks n TRP 74 Cb 0.00 -0.37 -0.10 0.00 -2.01 0.00 0.00 31.31 28.82 2kks n TRP 74 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.69 176.82 2kks s VAL 75 N -1.91 0.48 -0.13 -0.99 -7.23 -0.46 -3.62 120.40 106.54 2kks s VAL 75 Ca 0.34 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.27 2kks s VAL 75 Cb -0.03 -2.62 -0.03 0.00 0.56 0.00 0.00 36.38 34.27 2kks s VAL 75 CO 0.21 0.00 0.72 -0.32 -0.31 0.00 0.00 175.10 175.40 2kks s MET 76 N -4.04 4.34 0.10 4.82 1.75 -1.26 -1.49 119.30 123.52 2kks s MET 76 Ca 0.38 0.85 0.16 0.00 -1.25 0.00 0.00 55.69 55.83 2kks s MET 76 Cb 0.08 -3.52 -0.10 0.00 2.84 0.00 0.00 34.83 34.13 2kks s MET 76 CO 0.14 -0.13 0.96 -0.07 -0.65 0.00 0.00 175.02 175.27 2kks h LEU 77 N 7.58 0.00 0.00 4.11 3.38 -1.36 -3.48 115.31 125.54 2kks h LEU 77 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2kks h LEU 77 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2kks h LEU 77 CO 0.78 0.59 0.00 0.61 0.09 0.00 0.00 178.44 180.51 2kks n GLY 78 N 1.36 -0.09 3.61 0.83 0.00 -1.22 -2.90 105.19 106.79 2kks n GLY 78 Ca -0.07 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 44.99 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 0.20 -0.00 1.61 2.20 -1.16 -1.57 114.94 112.22 2kks s ASN 79 Ca 0.00 -1.11 0.03 0.00 -0.94 0.00 0.00 52.86 50.84 2kks s ASN 79 Cb 0.00 0.66 -0.01 0.00 -2.00 0.00 0.00 41.25 39.90 2kks s ASN 79 CO 0.00 -1.28 -0.09 0.72 -2.94 0.00 0.00 177.10 173.50 2kks s PHE 80 N -3.47 0.85 -0.04 1.54 -0.71 -1.19 -2.14 117.98 112.83 2kks s PHE 80 Ca 0.23 -0.18 -0.03 0.00 -1.04 0.00 0.00 56.93 55.91 2kks s PHE 80 Cb -0.02 -0.54 0.02 0.00 -1.21 0.00 0.00 43.02 41.27 2kks s PHE 80 CO 0.12 -0.01 0.09 -3.38 -1.34 0.00 0.00 175.22 170.70 2kks s HIS 81 N -0.29 -0.09 0.19 3.49 -3.43 -0.27 -3.00 115.29 111.88 2kks s HIS 81 Ca 0.03 0.26 0.09 0.00 -0.80 0.00 0.00 55.06 54.64 2kks s HIS 81 Cb -0.04 -0.01 -0.04 0.00 -1.43 0.00 0.00 32.58 31.06 2kks s HIS 81 CO -0.00 -0.07 -0.07 -1.12 -2.00 0.00 0.00 174.74 171.48 2kks s SER 82 N 0.32 4.39 -0.07 7.38 0.01 -0.37 -2.81 113.70 122.54 2kks s SER 82 Ca -0.02 -0.56 -0.04 0.00 1.31 0.00 0.00 55.95 56.65 2kks s SER 82 Cb -0.03 -0.79 -0.04 0.00 0.21 0.00 0.00 66.02 65.37 2kks s SER 82 CO -0.01 0.09 0.09 -1.00 0.41 0.00 0.00 173.24 172.81 2kks s HIS 83 N -1.80 3.39 -0.08 2.43 3.76 0.78 -3.96 115.29 119.80 2kks s HIS 83 Ca 0.26 0.34 -0.25 0.00 -0.15 0.00 0.00 55.06 55.26 2kks s HIS 83 Cb -0.09 -1.84 -0.28 0.00 1.11 0.00 0.00 32.58 31.49 2kks s HIS 83 CO 0.16 0.60 0.87 -1.35 -0.85 0.00 0.00 174.74 174.18 2kks h PRO 84 N 4.74 0.17 -0.27 8.40 0.11 -1.87 -2.41 132.00 140.87 2kks h PRO 84 Ca -0.52 -0.26 -0.23 0.00 0.11 0.00 0.00 66.00 65.10 2kks h PRO 84 Cb 1.20 0.09 -0.35 0.00 0.11 0.00 0.00 31.00 32.06 2kks h PRO 84 CO 0.59 1.10 -0.98 0.00 -0.21 0.00 0.00 178.00 178.50 2kks n ALA 85 N -2.62 2.95 -2.56 -0.75 0.00 -1.26 -3.53 120.51 112.74 2kks n ALA 85 Ca -0.12 -2.81 -0.09 0.00 0.00 0.00 0.00 53.44 50.43 2kks n ALA 85 Cb 0.64 -0.69 -0.11 0.00 0.00 0.00 0.00 19.45 19.29 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 -2.48 0.22 1.08 0.00 -4.23 -1.26 -5.02 115.64 103.96 2kks s THR 86 Ca 0.34 -1.36 -0.14 0.00 -1.18 0.00 0.00 61.69 59.36 2kks s THR 86 Cb 0.36 -0.89 0.18 0.00 1.34 0.00 0.00 72.50 73.50 2kks s THR 86 CO -0.08 -0.72 0.70 -2.65 -0.54 0.00 0.00 174.62 171.33 2kks n PRO 87 N 0.88 -1.58 -0.35 3.99 -0.02 -1.26 -4.67 135.00 131.98 2kks n PRO 87 Ca -0.19 -0.43 -0.07 0.00 -2.02 0.00 0.00 63.50 60.80 2kks n PRO 87 Cb 0.58 -2.04 0.05 0.00 -0.02 0.00 0.00 33.50 32.07 2kks n PRO 87 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kks n ALA 88 N -4.52 3.38 -2.61 3.55 0.00 -1.26 -4.78 120.51 114.27 2kks n ALA 88 Ca 0.05 -0.82 -0.33 0.00 0.00 0.00 0.00 53.44 52.33 2kks n ALA 88 Cb 0.56 -1.13 -0.10 0.00 0.00 0.00 0.00 19.45 18.77 2kks n ALA 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2kks s ARG 89 N -0.94 2.73 -0.31 0.00 3.52 -1.26 -4.82 118.95 117.86 2kks s ARG 89 Ca 0.16 -0.58 -0.29 0.00 -0.13 0.00 0.00 55.73 54.89 2kks s ARG 89 Cb 0.14 -2.60 -0.01 0.00 -1.56 0.00 0.00 34.95 30.91 2kks s ARG 89 CO 0.03 0.65 1.62 -2.14 -0.81 0.00 0.00 175.30 174.65 2kks s PRO 90 N -1.07 3.57 1.15 5.12 0.02 -1.26 -5.01 135.00 137.52 2kks s PRO 90 Ca 0.15 1.37 -0.16 0.00 0.02 0.00 0.00 61.00 62.38 2kks s PRO 90 Cb -0.11 -4.09 0.26 0.00 0.02 0.00 0.00 34.50 30.58 2kks s PRO 90 CO 0.04 -1.57 1.07 -1.12 -0.33 0.00 0.00 177.00 175.10 2kks s SER 91 N 4.79 1.31 0.24 2.53 0.01 -1.26 -4.67 113.70 116.66 2kks s SER 91 Ca 0.71 0.97 -0.06 0.00 1.31 0.00 0.00 55.95 58.88 2kks s SER 91 Cb -0.21 -1.47 0.26 0.00 0.21 0.00 0.00 66.02 64.81 2kks s SER 91 CO 0.32 -3.92 1.91 0.00 0.41 0.00 0.00 173.24 171.96 2kks h ALA 92 N -2.44 1.23 -0.37 1.44 0.00 -1.98 0.18 119.26 117.32 2kks h ALA 92 Ca -0.51 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.23 2kks h ALA 92 Cb 1.32 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2kks h ALA 92 CO 0.45 0.58 -0.20 0.93 0.00 0.00 0.00 179.25 181.01 2kks h GLU 93 N 1.28 0.71 -0.53 0.00 3.07 -1.99 0.11 114.58 117.23 2kks h GLU 93 Ca 0.36 -0.27 -0.12 0.00 -0.50 0.00 0.00 59.36 58.83 2kks h GLU 93 Cb -0.11 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 27.74 2kks h GLU 93 CO -0.09 0.86 -0.13 0.22 -1.40 0.00 0.00 179.01 178.47 2kks h ASP 94 N 0.63 1.03 0.57 1.42 1.82 -1.65 -2.64 116.42 117.59 2kks h ASP 94 Ca 0.09 -0.35 -0.12 0.00 -0.39 0.00 0.00 57.03 56.26 2kks h ASP 94 Cb 0.68 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 40.40 2kks h ASP 94 CO 0.05 1.15 -0.57 0.50 -1.61 0.00 0.00 179.24 178.76 2kks h LYS 95 N 0.90 0.00 -0.54 0.28 1.63 -0.37 -2.76 116.57 115.72 2kks h LYS 95 Ca 0.13 -0.00 0.04 0.00 -0.85 0.00 0.00 60.65 59.97 2kks h LYS 95 Cb 0.70 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.30 2kks h LYS 95 CO 0.05 0.57 0.36 0.00 -3.45 0.00 0.00 179.45 176.98 2kks h ARG 96 N 0.00 0.57 -0.63 1.90 2.47 -0.43 -1.94 114.38 116.31 2kks h ARG 96 Ca -0.01 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 2kks h ARG 96 Cb 1.01 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 29.20 2kks h ARG 96 CO 0.07 0.38 0.00 1.28 0.56 0.00 0.00 179.97 182.26 2kks n LEU 97 N -4.47 3.32 -4.42 3.04 4.77 -1.04 -4.79 117.00 113.41 2kks n LEU 97 Ca 0.07 -1.68 -0.44 0.00 -0.03 0.00 0.00 56.01 53.93 2kks n LEU 97 Cb 0.17 -0.49 -0.04 0.00 -2.33 0.00 0.00 43.42 40.72 2kks n LEU 97 CO 0.35 0.53 0.53 0.00 -1.33 0.00 0.00 177.39 177.47 2kks s ALA 98 N -1.81 3.30 -0.25 -1.18 0.00 -0.73 -4.82 121.76 116.26 2kks s ALA 98 Ca 0.32 -1.99 0.14 0.00 0.00 0.00 0.00 51.96 50.44 2kks s ALA 98 Cb 0.22 -3.63 0.35 0.00 0.00 0.00 0.00 23.12 20.06 2kks s ALA 98 CO 0.14 -2.45 1.25 1.19 0.00 0.00 0.00 175.76 175.89 2kks n PHE 99 N 6.83 0.44 -3.61 0.00 3.72 -1.26 -4.89 117.46 118.69 2kks n PHE 99 Ca -0.07 -0.81 -0.39 0.00 -0.05 0.00 0.00 57.45 56.13 2kks n PHE 99 Cb 0.44 -0.18 -0.07 0.00 -0.94 0.00 0.00 39.48 38.73 2kks n PHE 99 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 2kks s ASP 100 N -1.99 5.79 0.30 4.37 -4.77 -1.26 -4.93 116.67 114.18 2kks s ASP 100 Ca 0.30 -3.08 0.26 0.00 -3.30 0.00 0.00 52.55 46.74 2kks s ASP 100 Cb 0.24 -1.95 0.98 0.00 -1.09 0.00 0.00 42.92 41.10 2kks s ASP 100 CO 0.07 -0.36 1.76 -0.65 0.70 0.00 0.00 175.17 176.70 2kks h PRO 101 N 6.90 0.00 0.00 2.11 0.11 -1.90 -3.17 132.00 136.04 2kks h PRO 101 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 2kks h PRO 101 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2kks h PRO 101 CO 0.76 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.98 2kks n SER 102 N -2.42 1.15 -0.87 -2.05 7.64 -1.26 -4.85 113.62 110.95 2kks n SER 102 Ca 0.03 -1.50 0.00 0.00 1.01 0.00 0.00 58.87 58.41 2kks n SER 102 Cb 0.30 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 2kks n SER 102 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2kks n LEU 103 N -0.25 0.00 -3.81 -3.43 4.77 -1.20 -5.00 117.00 108.09 2kks n LEU 103 Ca 0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.78 2kks n LEU 103 Cb 0.28 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.20 2kks n LEU 103 CO 0.00 -0.18 -0.38 -0.44 -1.33 0.00 0.00 177.39 175.06 2kks s SER 104 N -0.79 1.09 -0.72 -1.43 0.01 -1.14 -4.29 113.70 106.41 2kks s SER 104 Ca 0.00 -0.07 -0.21 0.00 1.31 0.00 0.00 55.95 56.98 2kks s SER 104 Cb 0.00 -0.36 0.09 0.00 0.21 0.00 0.00 66.02 65.96 2kks s SER 104 CO 0.00 -0.14 0.97 -0.31 0.41 0.00 0.00 173.24 174.18 2kks s TYR 105 N 1.47 2.83 -0.01 2.43 2.02 -0.62 -3.01 117.35 122.47 2kks s TYR 105 Ca -0.03 -0.83 -0.30 0.00 -0.37 0.00 0.00 57.07 55.54 2kks s TYR 105 Cb -0.13 -4.26 -0.04 0.00 -0.40 0.00 0.00 41.96 37.14 2kks s TYR 105 CO -0.03 -1.56 1.12 -0.51 -1.57 0.00 0.00 175.55 173.00 2kks s LEU 106 N 3.52 4.33 -0.09 -1.29 1.02 -0.91 -2.17 118.68 123.09 2kks s LEU 106 Ca 0.24 1.80 0.04 0.00 0.02 0.00 0.00 54.13 56.23 2kks s LEU 106 Cb -0.15 -3.57 -0.01 0.00 0.02 0.00 0.00 46.19 42.49 2kks s LEU 106 CO 0.04 -0.44 -0.23 -0.51 0.02 0.00 0.00 176.35 175.23 2kks s ILE 107 N 1.49 2.22 -0.06 -0.59 1.10 -0.19 -1.12 121.20 124.05 2kks s ILE 107 Ca 0.55 -0.98 0.04 0.00 -0.51 0.00 0.00 60.65 59.75 2kks s ILE 107 Cb -0.24 -1.85 0.00 0.00 0.15 0.00 0.00 42.46 40.52 2kks s ILE 107 CO 0.25 0.56 -0.16 -0.63 -2.11 0.00 0.00 174.94 172.85 2kks s ILE 108 N 0.20 1.42 -0.41 2.00 1.01 -1.12 -0.56 121.20 123.73 2kks s ILE 108 Ca -0.14 -0.68 -0.09 0.00 0.00 0.00 0.00 60.65 59.75 2kks s ILE 108 Cb -0.17 -1.25 0.07 0.00 0.01 0.00 0.00 42.46 41.13 2kks s ILE 108 CO 0.07 0.41 0.25 -0.55 0.00 0.00 0.00 174.94 175.13 2kks s SER 109 N 0.31 5.63 -0.80 3.58 0.15 0.11 -0.16 113.70 122.51 2kks s SER 109 Ca -0.10 -1.47 -0.00 0.00 0.70 0.00 0.00 55.95 55.08 2kks s SER 109 Cb -0.14 -1.98 0.36 0.00 -1.71 0.00 0.00 66.02 62.54 2kks s SER 109 CO 0.04 -0.52 1.82 -0.11 1.20 0.00 0.00 173.24 175.66 2kks n LEU 110 N 4.91 6.96 0.02 3.45 0.00 -0.91 -1.43 117.00 130.00 2kks n LEU 110 Ca -0.10 -5.02 0.04 0.00 0.00 0.00 0.00 56.01 50.94 2kks n LEU 110 Cb 0.43 -0.97 0.45 0.00 0.00 0.00 0.00 43.42 43.32 2kks n LEU 110 CO 0.38 1.90 1.16 0.00 0.00 0.00 0.00 177.39 180.83 2kks h ALA 111 N 3.12 1.74 -2.34 1.96 0.00 -1.76 -3.43 119.26 118.55 2kks h ALA 111 Ca 0.51 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.31 2kks h ALA 111 Cb 0.22 -0.15 -0.22 0.00 0.00 0.00 0.00 17.79 17.65 2kks h ALA 111 CO 1.28 0.24 -0.04 -2.00 0.00 0.00 0.00 179.25 178.73 2kks s GLU 112 N -5.46 0.71 0.00 0.00 2.12 -1.26 -4.92 118.70 109.89 2kks s GLU 112 Ca -0.08 0.62 0.08 0.00 0.36 0.00 0.00 54.97 55.95 2kks s GLU 112 Cb 0.17 0.34 0.36 0.00 0.26 0.00 0.00 34.13 35.27 2kks s GLU 112 CO 0.73 -0.12 1.21 -0.35 -0.54 0.00 0.00 175.26 176.18 2kks n PRO 113 N 2.37 0.04 0.12 4.30 -0.04 -1.26 -1.66 135.00 138.88 2kks n PRO 113 Ca -0.15 0.31 0.04 0.00 -0.04 0.00 0.00 63.50 63.65 2kks n PRO 113 Cb 0.56 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.54 2kks n PRO 113 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2kks h GLN 114 N 0.00 0.00 -1.79 0.54 4.20 -1.98 -3.40 115.11 112.67 2kks h GLN 114 Ca 0.00 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 58.24 2kks h GLN 114 Cb 0.11 0.00 -0.32 0.00 0.30 0.00 0.00 27.48 27.57 2kks h GLN 114 CO 0.00 0.35 -0.88 1.63 -0.67 0.00 0.00 178.83 179.26 2kks n LYS 115 N -3.08 0.45 -2.78 1.46 4.76 -0.66 -5.09 118.16 113.22 2kks n LYS 115 Ca -0.01 -2.85 -0.43 0.00 -2.87 0.00 0.00 58.31 52.16 2kks n LYS 115 Cb 0.72 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 32.38 2kks n LYS 115 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2kks s PRO 116 N -0.08 3.34 -0.17 1.97 0.05 -1.22 -4.48 135.00 134.42 2kks s PRO 116 Ca 0.33 -0.21 -0.28 0.00 0.05 0.00 0.00 61.00 60.89 2kks s PRO 116 Cb 0.09 -4.06 -0.00 0.00 0.05 0.00 0.00 34.50 30.57 2kks s PRO 116 CO -0.16 -1.57 0.97 0.08 0.05 0.00 0.00 177.00 176.37 2kks s VAL 117 N 4.22 4.77 -0.17 -0.36 1.01 -0.52 -4.83 120.40 124.53 2kks s VAL 117 Ca 0.32 1.92 -0.01 0.00 0.00 0.00 0.00 61.98 64.21 2kks s VAL 117 Cb -0.12 -4.26 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 2kks s VAL 117 CO 0.20 -0.06 -0.11 0.00 0.00 0.00 0.00 175.10 175.13 2kks s LYS 119 N 0.85 1.20 -0.08 0.00 -0.14 0.27 -5.02 119.74 116.83 2kks s LYS 119 Ca -0.03 -1.60 0.03 0.00 -1.36 0.00 0.00 55.97 53.01 2kks s LYS 119 Cb -0.15 -0.28 0.01 0.00 -1.68 0.00 0.00 37.83 35.72 2kks s LYS 119 CO 0.00 -0.17 -0.17 0.45 -0.76 0.00 0.00 175.35 174.70 2kks s SER 120 N -3.22 2.35 -0.07 2.83 0.15 -1.25 -1.03 113.70 113.46 2kks s SER 120 Ca 0.28 -0.41 0.03 0.00 0.70 0.00 0.00 55.95 56.54 2kks s SER 120 Cb 0.06 -1.08 0.01 0.00 -1.71 0.00 0.00 66.02 63.30 2kks s SER 120 CO 0.07 0.09 -0.14 -0.36 1.20 0.00 0.00 173.24 174.09 2kks s PHE 121 N 0.53 1.61 -0.29 3.44 0.08 -0.92 -0.23 117.98 122.21 2kks s PHE 121 Ca -0.16 -0.58 -0.23 0.00 0.12 0.00 0.00 56.93 56.08 2kks s PHE 121 Cb -0.17 -1.15 -0.01 0.00 -0.57 0.00 0.00 43.02 41.13 2kks s PHE 121 CO 0.06 -0.27 0.74 -0.51 -0.10 0.00 0.00 175.22 175.14 2kks s LEU 122 N 0.52 4.09 -0.36 -0.37 1.43 0.17 -1.59 118.68 122.58 2kks s LEU 122 Ca -0.13 0.70 -0.24 0.00 -1.03 0.00 0.00 54.13 53.42 2kks s LEU 122 Cb -0.15 -3.02 0.01 0.00 0.03 0.00 0.00 46.19 43.06 2kks s LEU 122 CO 0.04 -0.53 0.83 -0.63 0.23 0.00 0.00 176.35 176.29 2kks s ILE 123 N 2.80 4.69 0.43 -0.59 -1.09 -1.26 -1.16 121.20 125.03 2kks s ILE 123 Ca 0.31 1.03 0.08 0.00 -2.23 0.00 0.00 60.65 59.84 2kks s ILE 123 Cb -0.15 -4.24 -0.01 0.00 -1.58 0.00 0.00 42.46 36.48 2kks s ILE 123 CO 0.11 -0.44 0.43 -0.54 -1.23 0.00 0.00 174.94 173.27 2kks s LYS 124 N 3.21 2.56 0.05 2.79 1.02 -0.63 -4.64 119.74 124.10 2kks s LYS 124 Ca 0.34 -1.51 -0.36 0.00 0.02 0.00 0.00 55.97 54.46 2kks s LYS 124 Cb -0.13 -2.44 -0.20 0.00 -0.52 0.00 0.00 37.83 34.54 2kks s LYS 124 CO 0.17 -0.26 1.51 -0.22 -0.92 0.00 0.00 175.35 175.63 2kks h LYS 125 N 0.91 -1.20 0.20 1.68 3.64 -1.96 -3.34 116.57 116.50 2kks h LYS 125 Ca -0.40 0.08 -0.33 0.00 -1.27 0.00 0.00 60.65 58.73 2kks h LYS 125 Cb 1.27 0.27 0.02 0.00 -0.41 0.00 0.00 32.23 33.38 2kks h LYS 125 CO 0.54 -0.80 -1.53 -0.44 -2.27 0.00 0.00 179.45 174.96 2kks h ASP 126 N -1.28 0.66 -1.07 4.20 3.32 -2.02 -3.49 116.42 116.74 2kks h ASP 126 Ca -0.13 -0.80 0.00 0.00 0.02 0.00 0.00 57.03 56.12 2kks h ASP 126 Cb 0.95 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.29 2kks h ASP 126 CO 0.21 1.64 0.00 0.61 -1.72 0.00 0.00 179.24 179.98 2kks n GLY 127 N 1.72 4.22 3.17 2.75 0.00 -1.25 -5.17 105.19 110.63 2kks n GLY 127 Ca -0.18 -1.47 -0.23 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.78 1.30 -0.11 1.61 0.11 -1.26 -1.61 120.40 118.67 2kks s VAL 128 Ca 0.00 -0.93 0.03 0.00 -2.93 0.00 0.00 61.98 58.15 2kks s VAL 128 Cb 0.00 -1.13 -0.00 0.00 -1.53 0.00 0.00 36.38 33.71 2kks s VAL 128 CO 0.00 0.19 -0.20 -0.62 -3.33 0.00 0.00 175.10 171.13 2kks s ASP 129 N -0.86 3.39 -0.08 3.54 2.15 -0.31 -4.97 116.67 119.53 2kks s ASP 129 Ca 0.05 -0.49 -0.29 0.00 0.43 0.00 0.00 52.55 52.25 2kks s ASP 129 Cb -0.07 -1.48 -0.02 0.00 -0.30 0.00 0.00 42.92 41.05 2kks s ASP 129 CO 0.01 0.16 0.96 -1.83 -0.17 0.00 0.00 175.17 174.29 2kks s GLU 130 N 0.37 4.44 0.00 4.34 -1.05 -1.26 0.42 118.70 125.97 2kks s GLU 130 Ca -0.16 1.32 0.00 0.00 -0.15 0.00 0.00 54.97 55.98 2kks s GLU 130 Cb -0.17 -3.52 -0.04 0.00 -0.44 0.00 0.00 34.13 29.96 2kks s GLU 130 CO 0.07 -0.22 0.06 -2.00 0.95 0.00 0.00 175.26 174.12 2kks s GLU 131 N 1.69 2.99 -0.07 -4.83 2.56 0.69 -4.91 118.70 116.81 2kks s GLU 131 Ca 0.47 -0.53 -0.19 0.00 0.00 0.00 0.00 54.97 54.72 2kks s GLU 131 Cb -0.19 -2.80 -0.05 0.00 2.00 0.00 0.00 34.13 33.09 2kks s GLU 131 CO 0.20 0.63 0.54 -2.00 -0.56 0.00 0.00 175.26 174.07 2kks s GLU 132 N -1.76 4.32 -0.20 4.30 2.12 -1.26 -3.97 118.70 122.24 2kks s GLU 132 Ca 0.23 0.59 -0.18 0.00 0.36 0.00 0.00 54.97 55.97 2kks s GLU 132 Cb -0.12 -3.39 -0.03 0.00 0.26 0.00 0.00 34.13 30.84 2kks s GLU 132 CO 0.14 0.24 0.48 0.42 -0.54 0.00 0.00 175.26 176.00 2kks s ILE 133 N 0.29 5.13 -0.37 -3.70 1.01 -1.26 -2.00 121.20 120.30 2kks s ILE 133 Ca 0.29 0.87 -0.13 0.00 0.00 0.00 0.00 60.65 61.67 2kks s ILE 133 Cb -0.16 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.50 2kks s ILE 133 CO 0.14 0.20 0.26 -0.63 0.00 0.00 0.00 174.94 174.90 2kks s ILE 134 N 1.56 5.17 -0.17 2.92 -1.09 0.12 -4.96 121.20 124.75 2kks s ILE 134 Ca 0.22 -0.46 -0.19 0.00 -2.23 0.00 0.00 60.65 58.00 2kks s ILE 134 Cb -0.15 -3.76 -0.04 0.00 -1.58 0.00 0.00 42.46 36.93 2kks s ILE 134 CO 0.09 -0.14 0.51 -0.76 -1.23 0.00 0.00 174.94 173.41 2kks s LEU 135 N 1.68 4.19 0.17 2.97 1.43 -1.26 -1.45 118.68 126.42 2kks s LEU 135 Ca 0.05 0.74 0.07 0.00 -1.03 0.00 0.00 54.13 53.96 2kks s LEU 135 Cb -0.18 -2.72 -0.04 0.00 0.03 0.00 0.00 46.19 43.28 2kks s LEU 135 CO 0.10 -0.12 0.04 -0.54 0.23 0.00 0.00 176.35 176.05 2kks s LYS 136 N 1.30 2.56 0.17 1.70 3.01 0.14 -4.96 119.74 123.65 2kks s LYS 136 Ca 0.25 -1.03 0.13 0.00 -1.01 0.00 0.00 55.97 54.32 2kks s LYS 136 Cb -0.15 -2.45 -0.07 0.00 -1.01 0.00 0.00 37.83 34.15 2kks s LYS 136 CO 0.10 0.47 1.20 0.93 0.51 0.00 0.00 175.35 178.55 2kks h GLU 137 N 2.63 0.00 -3.64 1.68 4.39 -1.95 0.11 114.58 117.80 2kks h GLU 137 Ca -0.47 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.16 2kks h GLU 137 Cb 1.20 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.76 2kks h GLU 137 CO 0.60 0.56 -0.10 -2.00 -1.16 0.00 0.00 179.01 176.91 2kks s GLU 138 N -2.87 1.60 0.29 2.33 2.12 -1.26 -4.58 118.70 116.33 2kks s GLU 138 Ca 0.01 -1.28 -0.05 0.00 0.36 0.00 0.00 54.97 54.02 2kks s GLU 138 Cb 0.08 0.48 0.07 0.00 0.26 0.00 0.00 34.13 35.02 2kks s GLU 138 CO 0.78 -0.67 0.26 1.28 -0.54 0.00 0.00 175.26 176.37 2kks n LEU 139 N -0.40 0.00 -4.57 2.70 4.77 -1.26 -4.84 117.00 113.40 2kks n LEU 139 Ca -0.02 -0.27 -0.34 0.00 -0.03 0.00 0.00 56.01 55.35 2kks n LEU 139 Cb 0.62 -0.24 -0.04 0.00 -2.33 0.00 0.00 43.42 41.43 2kks n LEU 139 CO 0.23 -1.26 1.50 -1.83 -1.33 0.00 0.00 177.39 174.69 2kks s GLU 140 N -3.59 3.08 -0.46 3.23 -1.05 -1.26 -4.91 118.70 113.75 2kks s GLU 140 Ca 0.17 -0.93 -0.25 0.00 -0.15 0.00 0.00 54.97 53.80 2kks s GLU 140 Cb -0.02 -5.25 0.03 0.00 -0.44 0.00 0.00 34.13 28.45 2kks s GLU 140 CO 0.13 -2.95 0.92 -3.38 0.95 0.00 0.00 175.26 170.93 2kks s HIS 141 N 7.78 2.93 -1.78 4.83 -3.43 -1.26 -4.92 115.29 119.44 2kks s HIS 141 Ca 0.60 0.39 0.13 0.00 -0.80 0.00 0.00 55.06 55.38 2kks s HIS 141 Cb -0.02 -3.95 0.74 0.00 -1.43 0.00 0.00 32.58 27.93 2kks s HIS 141 CO -0.00 -1.09 1.27 -2.39 -2.00 0.00 0.00 174.74 170.53 2kks n HIS 142 N 7.13 0.00 -0.93 0.38 1.44 -1.26 -4.94 115.22 117.04 2kks n HIS 142 Ca 0.06 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.89 2kks n HIS 142 Cb 0.48 -0.11 -0.03 0.00 0.12 0.00 0.00 29.99 30.45 2kks n HIS 142 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2kks n HIS 143 N -1.11 -2.35 -3.48 -1.40 8.25 -1.26 -4.93 115.22 108.94 2kks n HIS 143 Ca 0.09 1.19 -0.08 0.00 -0.26 0.00 0.00 57.72 58.65 2kks n HIS 143 Cb 0.07 -2.14 -0.08 0.00 1.12 0.00 0.00 29.99 28.96 2kks n HIS 143 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kks s HIS 144 N -2.05 -0.83 -0.44 4.41 2.46 -1.26 -5.10 115.29 112.48 2kks s HIS 144 Ca 0.00 1.16 -0.39 0.00 0.47 0.00 0.00 55.06 56.30 2kks s HIS 144 Cb 0.00 0.16 -0.15 0.00 -0.13 0.00 0.00 32.58 32.46 2kks s HIS 144 CO 0.00 -0.62 2.19 1.58 -2.47 0.00 0.00 174.74 175.42 2kks n HIS 145 N 5.38 1.37 -1.91 3.88 -0.00 -1.26 -5.33 115.22 117.34 2kks n HIS 145 Ca -0.06 0.50 0.00 0.00 0.46 0.00 0.00 57.72 58.62 2kks n HIS 145 Cb 0.50 -2.42 0.00 0.00 -0.12 0.00 0.00 29.99 27.95 2kks n HIS 145 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38