#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 4.29 -0.15 1.12 2.07 -0.68 -1.09 121.20 126.76 2kks s ILE 2 Ca 0.00 -0.22 0.02 0.00 -1.41 0.00 0.00 60.65 59.04 2kks s ILE 2 Cb 0.00 -2.90 0.01 0.00 0.13 0.00 0.00 42.46 39.70 2kks s ILE 2 CO 0.00 0.49 -0.21 -0.89 -1.91 0.00 0.00 174.94 172.42 2kks s THR 3 N 0.30 2.14 0.13 4.00 2.01 0.79 -1.42 115.64 123.59 2kks s THR 3 Ca -0.00 -0.94 -0.04 0.00 0.31 0.00 0.00 61.69 61.01 2kks s THR 3 Cb -0.13 -1.87 -0.03 0.00 0.01 0.00 0.00 72.50 70.48 2kks s THR 3 CO 0.02 0.54 0.12 -1.48 -0.69 0.00 0.00 174.62 173.13 2kks s LEU 4 N 0.91 1.61 0.49 4.42 0.05 -0.78 -0.52 118.68 124.87 2kks s LEU 4 Ca -0.04 -1.05 0.04 0.00 0.05 0.00 0.00 54.13 53.13 2kks s LEU 4 Cb -0.15 0.59 0.02 0.00 -2.05 0.00 0.00 46.19 44.60 2kks s LEU 4 CO -0.04 -0.76 0.68 0.42 -0.55 0.00 0.00 176.35 176.10 2kks s THR 5 N -4.00 2.82 0.24 5.48 -4.23 -1.26 -0.80 115.64 113.89 2kks s THR 5 Ca 0.19 -0.82 -0.06 0.00 -1.18 0.00 0.00 61.69 59.81 2kks s THR 5 Cb 0.06 -3.00 0.20 0.00 1.34 0.00 0.00 72.50 71.11 2kks s THR 5 CO -0.01 0.00 1.84 0.11 -0.54 0.00 0.00 174.62 176.02 2kks h LYS 6 N 0.33 0.88 -0.34 3.99 1.57 -1.57 -1.87 116.57 119.56 2kks h LYS 6 Ca -0.41 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.36 2kks h LYS 6 Cb 1.29 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 33.36 2kks h LYS 6 CO 0.49 0.58 0.09 -0.22 -0.57 0.00 0.00 179.45 179.83 2kks h LYS 7 N 0.91 0.22 -0.69 3.15 3.11 -1.89 0.91 116.57 122.29 2kks h LYS 7 Ca 0.36 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.19 2kks h LYS 7 Cb 0.18 -0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 31.33 2kks h LYS 7 CO -0.18 0.15 0.45 1.96 -2.81 0.00 0.00 179.45 179.01 2kks h GLN 8 N 0.23 0.91 -0.49 1.90 1.08 -1.79 0.41 115.11 117.36 2kks h GLN 8 Ca 0.16 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.29 2kks h GLN 8 Cb 0.15 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.36 2kks h GLN 8 CO -0.18 0.62 0.30 1.98 -0.95 0.00 0.00 178.83 180.59 2kks h MET 9 N 0.93 0.66 -0.83 1.46 4.05 -0.90 -0.16 114.93 120.13 2kks h MET 9 Ca 0.25 -0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.59 2kks h MET 9 Cb -0.09 -0.14 -0.04 0.00 -0.80 0.00 0.00 31.60 30.53 2kks h MET 9 CO -0.05 0.48 0.42 0.93 0.23 0.00 0.00 176.91 178.91 2kks h GLU 10 N 0.65 1.19 -0.49 0.39 4.39 -0.03 0.39 114.58 121.07 2kks h GLU 10 Ca 0.17 -0.16 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 2kks h GLU 10 Cb -0.01 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.40 2kks h GLU 10 CO -0.03 0.90 0.16 0.93 -1.16 0.00 0.00 179.01 179.81 2kks h GLU 11 N 1.18 0.76 -0.16 2.33 5.08 0.25 0.25 114.58 124.27 2kks h GLU 11 Ca 0.29 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.42 2kks h GLU 11 Cb 0.09 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 2kks h GLU 11 CO -0.04 0.71 -0.19 0.52 -1.00 0.00 0.00 179.01 179.00 2kks h MET 12 N 0.66 0.41 -0.69 2.33 2.86 -0.69 -2.89 114.93 116.92 2kks h MET 12 Ca 0.16 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 2kks h MET 12 Cb 0.26 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 2kks h MET 12 CO -0.01 0.81 0.39 -0.07 1.06 0.00 0.00 176.91 179.08 2kks h LEU 13 N 0.05 0.86 -0.41 1.22 3.38 -0.16 0.71 115.31 120.97 2kks h LEU 13 Ca 0.02 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2kks h LEU 13 Cb 0.75 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2kks h LEU 13 CO 0.05 0.70 0.24 0.00 0.09 0.00 0.00 178.44 179.52 2kks h ALA 14 N 1.19 0.53 -0.33 1.53 0.00 -1.00 -0.13 119.26 121.05 2kks h ALA 14 Ca 0.24 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2kks h ALA 14 Cb 0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2kks h ALA 14 CO -0.04 0.03 -0.10 1.25 0.00 0.00 0.00 179.25 180.39 2kks h HIS 15 N 0.54 0.60 0.08 0.00 -0.00 -1.24 -1.68 115.15 113.45 2kks h HIS 15 Ca 0.15 -0.09 -0.00 0.00 -0.00 0.00 0.00 60.37 60.42 2kks h HIS 15 Cb 0.03 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 27.28 2kks h HIS 15 CO -0.03 0.65 -0.04 0.00 -0.00 0.00 0.00 177.93 178.51 2kks h ALA 16 N 1.38 -0.11 -0.23 5.26 0.00 -0.41 -2.69 119.26 122.45 2kks h ALA 16 Ca 0.10 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2kks h ALA 16 Cb 0.49 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2kks h ALA 16 CO 0.03 -0.34 -0.12 0.00 0.00 0.00 0.00 179.25 178.81 2kks h ARG 17 N -0.55 0.37 0.00 0.00 3.08 -0.99 -2.07 114.38 114.23 2kks h ARG 17 Ca -0.01 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 59.88 2kks h ARG 17 Cb 0.46 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 2kks h ARG 17 CO 0.02 0.50 -0.30 0.37 -1.07 0.00 0.00 179.97 179.49 2kks h GLN 18 N 0.35 0.00 0.00 0.04 4.15 -1.31 -2.81 115.11 115.52 2kks h GLN 18 Ca 0.07 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.49 2kks h GLN 18 Cb 0.43 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.12 2kks h GLN 18 CO 0.02 0.30 -0.26 0.00 -1.93 0.00 0.00 178.83 176.97 2kks n ALA 19 N -2.37 2.81 -1.70 3.38 0.00 -0.79 -4.91 120.51 116.93 2kks n ALA 19 Ca -0.01 -0.19 -0.38 0.00 0.00 0.00 0.00 53.44 52.86 2kks n ALA 19 Cb 0.39 -1.31 0.06 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.70 5.14 -1.00 0.00 4.77 -1.06 -0.83 117.00 122.31 2kks n LEU 20 Ca 0.06 0.87 0.02 0.00 -0.03 0.00 0.00 56.01 56.92 2kks n LEU 20 Cb 0.37 -1.51 0.13 0.00 -2.33 0.00 0.00 43.42 40.08 2kks n LEU 20 CO 0.31 -1.14 0.48 -0.81 -1.33 0.00 0.00 177.39 174.91 2kks n PRO 21 N -1.35 2.26 -0.07 3.23 -0.04 -1.26 -5.03 135.00 132.73 2kks n PRO 21 Ca 0.14 -1.06 0.00 0.00 -0.04 0.00 0.00 63.50 62.54 2kks n PRO 21 Cb 0.47 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 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 0.19 0.00 -4.68 3.54 3.02 -0.01 -4.80 115.26 112.51 2kks n ASN 22 Ca 0.10 -0.18 -0.27 0.00 -0.03 0.00 0.00 54.58 54.20 2kks n ASN 22 Cb 0.59 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.67 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 0.55 2.08 -0.06 3.52 4.04 -1.26 -4.62 118.70 122.96 2kks s GLU 23 Ca 0.00 -2.05 0.04 0.00 0.04 0.00 0.00 54.97 52.99 2kks s GLU 23 Cb 0.00 -1.76 -0.02 0.00 0.02 0.00 0.00 34.13 32.37 2kks s GLU 23 CO 0.00 -0.13 -0.16 0.00 -1.84 0.00 0.00 175.26 173.14 2kks s ALA 24 N -2.69 2.60 0.16 -0.84 0.00 -1.26 -4.86 121.76 114.86 2kks s ALA 24 Ca 0.34 -0.98 0.08 0.00 0.00 0.00 0.00 51.96 51.40 2kks s ALA 24 Cb 0.07 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 2kks s ALA 24 CO 0.18 0.50 -0.08 0.00 0.00 0.00 0.00 175.76 176.37 2kks n GLY 26 N 0.15 -0.42 3.35 0.00 0.00 -1.24 -3.18 105.19 103.86 2kks n GLY 26 Ca -0.11 -1.03 -0.23 0.00 0.00 0.00 0.00 46.02 44.65 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 2.44 -0.13 0.99 1.43 0.13 -3.01 118.68 120.52 2kks s LEU 27 Ca 0.00 -0.86 0.03 0.00 -1.03 0.00 0.00 54.13 52.27 2kks s LEU 27 Cb 0.00 -0.90 0.01 0.00 0.03 0.00 0.00 46.19 45.33 2kks s LEU 27 CO 0.00 -0.00 -0.22 -0.76 0.23 0.00 0.00 176.35 175.60 2kks s LEU 28 N -2.66 2.09 0.19 1.79 1.43 -0.49 -0.49 118.68 120.54 2kks s LEU 28 Ca 0.17 -0.59 0.08 0.00 -1.03 0.00 0.00 54.13 52.76 2kks s LEU 28 Cb -0.06 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 2kks s LEU 28 CO 0.07 0.10 -0.16 -0.83 0.23 0.00 0.00 176.35 175.76 2kks s GLY 29 N 0.71 1.40 0.00 -3.19 0.00 -0.59 -1.45 107.32 104.20 2kks s GLY 29 Ca -0.10 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.04 2kks s GLY 29 CO 0.01 -1.65 0.00 0.61 0.00 0.00 0.00 173.10 172.06 2kks n GLY 30 N -0.07 -0.53 3.32 0.20 0.00 -0.62 -1.88 105.19 105.60 2kks n GLY 30 Ca -0.10 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 2.33 -0.04 1.61 0.52 0.04 -1.11 118.95 122.30 2kks s ARG 31 Ca 0.00 -0.89 -0.01 0.00 -0.52 0.00 0.00 55.73 54.31 2kks s ARG 31 Cb 0.00 -2.13 0.03 0.00 0.52 0.00 0.00 34.95 33.37 2kks s ARG 31 CO 0.00 0.50 0.04 -0.98 0.02 0.00 0.00 175.30 174.88 2kks s ARG 32 N -0.45 0.02 -0.30 3.54 1.70 -1.26 0.94 118.95 123.13 2kks s ARG 32 Ca 0.05 0.29 0.11 0.00 -0.47 0.00 0.00 55.73 55.71 2kks s ARG 32 Cb -0.11 -0.49 0.76 0.00 -0.57 0.00 0.00 34.95 34.54 2kks s ARG 32 CO 0.01 -0.27 1.78 -0.25 -1.08 0.00 0.00 175.30 175.49 2kks n ASP 33 N 4.94 4.98 0.00 -2.89 8.00 0.10 -4.95 116.55 126.74 2kks n ASP 33 Ca -0.11 -3.17 0.00 0.00 0.71 0.00 0.00 54.79 52.22 2kks n ASP 33 Cb 0.50 -0.73 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 2kks n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kks n GLY 34 N -0.02 2.00 0.17 0.44 0.00 -1.26 -4.48 105.19 102.04 2kks n GLY 34 Ca 0.38 -0.26 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 2kks n GLY 34 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2kks h ASP 35 N 0.00 0.62 -3.25 1.61 3.58 -1.97 -3.46 116.42 113.55 2kks h ASP 35 Ca 0.00 -0.63 -0.45 0.00 0.42 0.00 0.00 57.03 56.37 2kks h ASP 35 Cb 0.00 -0.18 -0.14 0.00 1.72 0.00 0.00 39.33 40.72 2kks h ASP 35 CO 0.00 1.15 -0.73 -1.81 -2.88 0.00 0.00 179.24 174.96 2kks s ASP 36 N -6.66 2.54 -0.06 2.28 1.01 -1.26 -3.01 116.67 111.51 2kks s ASP 36 Ca -0.13 -1.02 0.02 0.00 0.71 0.00 0.00 52.55 52.13 2kks s ASP 36 Cb 0.06 -0.13 0.02 0.00 1.01 0.00 0.00 42.92 43.87 2kks s ASP 36 CO 0.82 -0.17 -0.09 -0.13 0.21 0.00 0.00 175.17 175.81 2kks s ARG 37 N -3.63 1.37 -0.16 8.23 0.52 -0.25 -0.72 118.95 124.31 2kks s ARG 37 Ca 0.22 -0.29 -0.01 0.00 -0.52 0.00 0.00 55.73 55.13 2kks s ARG 37 Cb -0.01 -1.19 -0.01 0.00 0.52 0.00 0.00 34.95 34.26 2kks s ARG 37 CO 0.07 -0.02 -0.12 -1.58 0.02 0.00 0.00 175.30 173.67 2kks s TRP 38 N 0.77 2.84 -0.64 -0.53 0.51 0.27 -0.15 118.94 122.01 2kks s TRP 38 Ca -0.13 -0.85 -0.19 0.00 -2.12 0.00 0.00 56.10 52.81 2kks s TRP 38 Cb -0.15 -1.92 0.11 0.00 -0.81 0.00 0.00 33.47 30.70 2kks s TRP 38 CO 0.02 -0.38 0.76 0.08 -0.51 0.00 0.00 176.95 176.93 2kks s VAL 39 N 0.76 4.82 -0.70 4.03 1.01 0.32 -0.78 120.40 129.86 2kks s VAL 39 Ca -0.05 -1.08 0.22 0.00 0.00 0.00 0.00 61.98 61.08 2kks s VAL 39 Cb -0.15 -4.53 -0.18 0.00 0.00 0.00 0.00 36.38 31.52 2kks s VAL 39 CO 0.01 -1.18 0.93 -0.62 0.00 0.00 0.00 175.10 174.24 2kks n GLU 40 N 6.33 0.21 -3.70 2.72 1.02 -1.07 -4.51 120.64 121.64 2kks n GLU 40 Ca -0.05 -0.03 -0.11 0.00 -0.02 0.00 0.00 57.16 56.95 2kks n GLU 40 Cb 0.43 -1.54 -0.11 0.00 -0.02 0.00 0.00 31.44 30.20 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 -3.16 0.37 -0.12 3.49 6.06 -0.79 -5.01 118.95 119.79 2kks s ARG 41 Ca 0.04 0.77 -0.10 0.00 -2.50 0.00 0.00 55.73 53.94 2kks s ARG 41 Cb 0.15 -0.03 -0.05 0.00 0.06 0.00 0.00 34.95 35.09 2kks s ARG 41 CO 0.84 -0.16 0.21 0.08 -2.50 0.00 0.00 175.30 173.76 2kks s VAL 42 N 1.41 5.38 -0.59 7.11 1.01 -1.26 -1.53 120.40 131.93 2kks s VAL 42 Ca -0.09 0.37 0.03 0.00 0.00 0.00 0.00 61.98 62.29 2kks s VAL 42 Cb -0.09 -3.50 0.15 0.00 0.00 0.00 0.00 36.38 32.94 2kks s VAL 42 CO -0.12 0.54 0.35 -0.31 0.00 0.00 0.00 175.10 175.56 2kks s TYR 43 N -0.51 3.32 -0.71 5.22 1.51 0.35 -4.99 117.35 121.54 2kks s TYR 43 Ca 0.15 -3.18 -0.27 0.00 -1.01 0.00 0.00 57.07 52.77 2kks s TYR 43 Cb -0.13 -2.84 0.02 0.00 -0.11 0.00 0.00 41.96 38.90 2kks s TYR 43 CO 0.04 -0.70 1.40 -2.14 -1.11 0.00 0.00 175.55 173.04 2kks s PRO 44 N -0.61 3.07 0.74 -1.71 0.02 -1.26 0.22 135.00 135.47 2kks s PRO 44 Ca 0.19 -0.06 -0.04 0.00 0.02 0.00 0.00 61.00 61.11 2kks s PRO 44 Cb -0.19 -4.22 0.11 0.00 0.02 0.00 0.00 34.50 30.22 2kks s PRO 44 CO -0.05 -2.27 1.03 -0.51 -0.33 0.00 0.00 177.00 174.87 2kks s LEU 45 N 6.43 2.94 0.23 -5.54 2.01 -1.19 -4.98 118.68 118.58 2kks s LEU 45 Ca 0.42 -0.04 -0.17 0.00 0.01 0.00 0.00 54.13 54.34 2kks s LEU 45 Cb -0.09 -2.38 -0.08 0.00 0.01 0.00 0.00 46.19 43.65 2kks s LEU 45 CO 0.16 -1.87 0.69 0.21 1.01 0.00 0.00 176.35 176.56 2kks s ASN 46 N -4.68 6.95 -0.55 2.29 2.47 -1.26 -4.50 114.94 115.66 2kks s ASN 46 Ca 0.65 1.32 -0.26 0.00 0.42 0.00 0.00 52.86 54.99 2kks s ASN 46 Cb -0.07 -2.38 0.04 0.00 -1.45 0.00 0.00 41.25 37.39 2kks s ASN 46 CO 0.45 -0.01 1.03 0.21 -3.72 0.00 0.00 177.10 175.06 2kks s ASN 47 N -1.81 6.41 0.13 -4.21 3.84 -1.26 -4.65 114.94 113.38 2kks s ASN 47 Ca 0.45 -0.11 -0.12 0.00 0.21 0.00 0.00 52.86 53.28 2kks s ASN 47 Cb -0.15 -2.48 -0.05 0.00 -0.55 0.00 0.00 41.25 38.02 2kks s ASN 47 CO 0.20 -1.29 1.47 -0.07 -2.79 0.00 0.00 177.10 174.62 2kks h LEU 48 N 11.24 0.93 -0.03 3.21 -0.00 -1.64 -3.19 115.31 125.83 2kks h LEU 48 Ca -0.25 -0.46 -0.26 0.00 -0.00 0.00 0.00 57.88 56.91 2kks h LEU 48 Cb 1.07 -0.26 0.02 0.00 -0.00 0.00 0.00 40.66 41.48 2kks h LEU 48 CO 1.11 1.20 -1.06 -0.78 -0.00 0.00 0.00 178.44 178.91 2kks h ASP 49 N 0.68 0.75 -1.90 -0.43 1.82 -1.90 -3.47 116.42 111.97 2kks h ASP 49 Ca 0.06 -0.63 -0.37 0.00 -0.39 0.00 0.00 57.03 55.71 2kks h ASP 49 Cb 0.92 -0.23 -0.07 0.00 0.68 0.00 0.00 39.33 40.63 2kks h ASP 49 CO 0.08 1.44 -0.41 1.67 -1.61 0.00 0.00 179.24 180.41 2kks n GLN 50 N -3.79 -1.37 -4.89 0.28 7.27 -1.21 -4.98 117.38 108.69 2kks n GLN 50 Ca -0.10 0.98 -0.31 0.00 0.07 0.00 0.00 57.00 57.64 2kks n GLN 50 Cb 0.89 -5.39 -0.14 0.00 2.41 0.00 0.00 30.24 28.01 2kks n GLN 50 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 2kks s SER 51 N -2.43 3.61 0.46 1.69 0.01 -1.26 -4.76 113.70 111.01 2kks s SER 51 Ca 0.00 -0.40 0.25 0.00 1.31 0.00 0.00 55.95 57.11 2kks s SER 51 Cb 0.00 -0.56 0.63 0.00 0.21 0.00 0.00 66.02 66.30 2kks s SER 51 CO 0.00 0.29 1.71 1.55 0.41 0.00 0.00 173.24 177.20 2kks h PRO 52 N 4.97 0.00 -0.10 12.44 0.13 -1.91 -2.94 132.00 144.59 2kks h PRO 52 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2kks h PRO 52 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2kks h PRO 52 CO 0.48 0.05 0.00 0.39 -0.23 0.00 0.00 178.00 178.69 2kks n GLU 53 N -3.12 1.97 -4.44 0.86 -0.58 -1.26 -4.87 120.64 109.19 2kks n GLU 53 Ca 0.03 -1.43 -0.22 0.00 -0.42 0.00 0.00 57.16 55.11 2kks n GLU 53 Cb 0.48 -1.46 -0.09 0.00 -0.57 0.00 0.00 31.44 29.80 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 -1.89 1.78 -0.29 -0.32 3.76 -1.11 -4.64 115.29 112.57 2kks s HIS 54 Ca 0.34 -1.19 0.03 0.00 -0.15 0.00 0.00 55.06 54.08 2kks s HIS 54 Cb 0.20 -1.12 0.20 0.00 1.11 0.00 0.00 32.58 32.97 2kks s HIS 54 CO 0.31 -0.25 0.61 0.12 -0.85 0.00 0.00 174.74 174.68 2kks s PHE 55 N -3.36 -1.72 -0.17 1.40 5.36 -1.26 -4.74 117.98 113.49 2kks s PHE 55 Ca 0.31 1.31 -0.15 0.00 -0.96 0.00 0.00 56.93 57.44 2kks s PHE 55 Cb 0.05 0.41 0.05 0.00 -0.34 0.00 0.00 43.02 43.19 2kks s PHE 55 CO 0.15 -0.98 0.46 -1.12 -1.46 0.00 0.00 175.22 172.27 2kks s SER 56 N 2.85 -0.50 0.19 6.13 0.01 -1.26 -5.02 113.70 116.11 2kks s SER 56 Ca 0.14 0.93 0.05 0.00 1.31 0.00 0.00 55.95 58.39 2kks s SER 56 Cb -0.12 0.92 -0.05 0.00 0.21 0.00 0.00 66.02 66.98 2kks s SER 56 CO -0.24 -0.17 -0.08 0.00 0.41 0.00 0.00 173.24 173.16 2kks s MET 57 N 0.49 1.24 0.35 12.44 0.23 -1.26 -1.52 119.30 131.26 2kks s MET 57 Ca -0.02 -1.57 -0.26 0.00 -1.03 0.00 0.00 55.69 52.81 2kks s MET 57 Cb -0.04 -0.78 -0.09 0.00 -1.53 0.00 0.00 34.83 32.39 2kks s MET 57 CO -0.02 0.05 1.02 0.34 -2.03 0.00 0.00 175.02 174.38 2kks s ASP 58 N -3.26 7.06 0.47 -1.18 -1.08 -1.26 -4.91 116.67 112.51 2kks s ASP 58 Ca 0.22 2.00 0.25 0.00 -0.52 0.00 0.00 52.55 54.51 2kks s ASP 58 Cb 0.03 -2.59 1.29 0.00 -1.46 0.00 0.00 42.92 40.19 2kks s ASP 58 CO 0.05 -0.28 1.85 -0.65 0.52 0.00 0.00 175.17 176.66 2kks h PRO 59 N 2.97 0.20 -0.19 4.34 0.11 -2.00 0.10 132.00 137.53 2kks h PRO 59 Ca -0.47 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.48 2kks h PRO 59 Cb 1.21 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2kks h PRO 59 CO 0.64 0.13 -0.49 0.00 -0.21 0.00 0.00 178.00 178.07 2kks h ARG 60 N 0.20 0.49 -0.23 1.05 3.08 -1.99 0.93 114.38 117.91 2kks h ARG 60 Ca 0.49 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 2kks h ARG 60 Cb 1.57 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.63 2kks h ARG 60 CO -0.12 0.87 0.10 0.93 -1.07 0.00 0.00 179.97 180.69 2kks h GLU 61 N 0.39 0.34 -0.05 0.04 4.39 -1.20 -2.09 114.58 116.41 2kks h GLU 61 Ca 0.02 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 2kks h GLU 61 Cb 1.00 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.59 2kks h GLU 61 CO 0.09 0.37 0.02 1.96 -1.16 0.00 0.00 179.01 180.29 2kks h GLN 62 N 0.24 0.07 -0.40 2.33 4.20 -1.13 -2.37 115.11 118.04 2kks h GLN 62 Ca 0.08 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.81 2kks h GLN 62 Cb 0.15 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 2kks h GLN 62 CO -0.01 0.16 0.21 1.25 -0.67 0.00 0.00 178.83 179.77 2kks h LEU 63 N -0.05 0.31 -0.86 1.46 5.85 -0.77 -0.06 115.31 121.19 2kks h LEU 63 Ca 0.02 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 2kks h LEU 63 Cb 0.12 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2kks h LEU 63 CO -0.00 0.22 0.05 0.74 -0.34 0.00 0.00 178.44 179.11 2kks h THR 64 N 0.42 1.25 -0.39 1.05 2.02 -1.34 0.31 112.91 116.23 2kks h THR 64 Ca 0.17 -1.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.30 2kks h THR 64 Cb 0.06 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 2kks h THR 64 CO -0.11 0.36 0.06 0.00 0.37 0.00 0.00 175.52 176.20 2kks h ALA 65 N 1.20 0.52 -0.23 6.16 0.00 -0.86 -1.98 119.26 124.08 2kks h ALA 65 Ca 0.17 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2kks h ALA 65 Cb 0.43 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2kks h ALA 65 CO 0.02 0.23 -0.29 0.28 0.00 0.00 0.00 179.25 179.49 2kks h VAL 66 N 0.49 1.27 -0.45 0.00 2.07 -0.70 -2.37 116.25 116.56 2kks h VAL 66 Ca 0.12 -1.33 0.02 0.00 0.82 0.00 0.00 66.70 66.33 2kks h VAL 66 Cb 0.37 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 2kks h VAL 66 CO 0.01 0.42 0.27 0.11 0.02 0.00 0.00 177.57 178.39 2kks h LYS 67 N 0.40 0.52 -0.50 1.57 1.57 -0.10 0.15 116.57 120.18 2kks h LYS 67 Ca 0.05 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 2kks h LYS 67 Cb 0.71 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 2kks h LYS 67 CO 0.05 0.34 0.01 0.22 -0.57 0.00 0.00 179.45 179.51 2kks h ASP 68 N 0.54 0.85 -0.22 0.86 3.58 -1.21 -0.99 116.42 119.82 2kks h ASP 68 Ca 0.18 -0.30 0.00 0.00 0.42 0.00 0.00 57.03 57.33 2kks h ASP 68 Cb 0.02 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.83 2kks h ASP 68 CO -0.08 0.94 0.14 0.24 -2.88 0.00 0.00 179.24 177.60 2kks h MET 69 N 0.73 0.30 -0.31 0.28 2.86 -1.07 -1.25 114.93 116.46 2kks h MET 69 Ca 0.14 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.72 2kks h MET 69 Cb 0.50 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 2kks h MET 69 CO 0.02 0.22 0.04 0.00 1.06 0.00 0.00 176.91 178.25 2kks h ARG 70 N 0.29 0.46 -0.54 1.72 3.08 -0.57 0.41 114.38 119.23 2kks h ARG 70 Ca 0.08 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 2kks h ARG 70 Cb -0.01 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 2kks h ARG 70 CO -0.02 0.46 -0.03 -0.22 -1.07 0.00 0.00 179.97 179.09 2kks h LYS 71 N 0.45 0.95 0.00 0.04 3.64 -0.67 -2.95 116.57 118.03 2kks h LYS 71 Ca 0.10 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 2kks h LYS 71 Cb 0.24 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2kks h LYS 71 CO 0.00 0.96 -0.75 -0.91 -2.27 0.00 0.00 179.45 176.49 2kks h ASN 72 N 0.87 0.00 0.00 4.20 2.35 -0.72 -3.48 115.58 118.80 2kks h ASN 72 Ca 0.15 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 2kks h ASN 72 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 2kks h ASN 72 CO 0.03 0.02 0.00 0.61 -1.65 0.00 0.00 177.43 176.44 2kks n GLY 73 N 1.20 0.86 3.92 2.83 0.00 0.11 -5.08 105.19 109.03 2kks n GLY 73 Ca 0.01 -0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 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 3.22 0.19 1.61 0.51 0.94 -4.97 118.94 118.44 2kks s TRP 74 Ca 0.00 0.55 0.10 0.00 -2.12 0.00 0.00 56.10 54.63 2kks s TRP 74 Cb 0.00 -2.71 -0.04 0.00 -0.81 0.00 0.00 33.47 29.91 2kks s TRP 74 CO 0.00 -0.80 -0.15 0.14 -0.51 0.00 0.00 176.95 175.64 2kks s VAL 75 N -2.94 2.87 -0.58 4.03 -7.23 -0.27 -4.20 120.40 112.09 2kks s VAL 75 Ca 0.54 -1.82 -0.26 0.00 -1.81 0.00 0.00 61.98 58.62 2kks s VAL 75 Cb -0.10 -2.41 0.04 0.00 0.56 0.00 0.00 36.38 34.46 2kks s VAL 75 CO 0.44 -0.13 1.08 -0.32 -0.31 0.00 0.00 175.10 175.86 2kks s MET 76 N -2.81 3.41 -0.06 4.82 1.75 -1.26 -1.59 119.30 123.56 2kks s MET 76 Ca 0.24 -0.03 -0.24 0.00 -1.25 0.00 0.00 55.69 54.41 2kks s MET 76 Cb -0.08 -4.04 -0.19 0.00 2.84 0.00 0.00 34.83 33.36 2kks s MET 76 CO 0.13 -1.62 0.98 -0.07 -0.65 0.00 0.00 175.02 173.79 2kks h LEU 77 N 11.54 -0.09 0.00 4.11 3.38 -1.60 -3.48 115.31 129.17 2kks h LEU 77 Ca -0.26 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.21 2kks h LEU 77 Cb 1.06 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2kks h LEU 77 CO 1.15 0.52 0.00 0.61 0.09 0.00 0.00 178.44 180.80 2kks n GLY 78 N 0.66 -0.58 3.82 0.83 0.00 -1.10 -1.16 105.19 107.65 2kks n GLY 78 Ca -0.08 0.26 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.05 -0.02 1.61 2.20 -0.45 -1.40 114.94 112.82 2kks s ASN 79 Ca 0.00 -1.01 0.05 0.00 -0.94 0.00 0.00 52.86 50.97 2kks s ASN 79 Cb 0.00 0.82 -0.01 0.00 -2.00 0.00 0.00 41.25 40.05 2kks s ASN 79 CO 0.00 -1.59 -0.18 0.72 -2.94 0.00 0.00 177.10 173.11 2kks s PHE 80 N -2.76 1.64 -0.02 1.54 -0.71 -1.17 -1.13 117.98 115.37 2kks s PHE 80 Ca 0.14 -0.36 0.02 0.00 -1.04 0.00 0.00 56.93 55.70 2kks s PHE 80 Cb -0.05 -1.07 0.00 0.00 -1.21 0.00 0.00 43.02 40.69 2kks s PHE 80 CO 0.10 -0.07 -0.07 -1.58 -1.34 0.00 0.00 175.22 172.26 2kks s HIS 81 N -0.29 0.81 0.21 3.49 2.46 0.13 -3.65 115.29 118.45 2kks s HIS 81 Ca 0.04 -0.19 0.09 0.00 0.47 0.00 0.00 55.06 55.47 2kks s HIS 81 Cb -0.08 -0.59 -0.04 0.00 -0.13 0.00 0.00 32.58 31.74 2kks s HIS 81 CO 0.00 -0.09 -0.06 0.45 -2.47 0.00 0.00 174.74 172.57 2kks s SER 82 N 0.23 4.36 -0.01 9.88 0.15 -1.23 -0.78 113.70 126.30 2kks s SER 82 Ca -0.03 -0.60 0.04 0.00 0.70 0.00 0.00 55.95 56.06 2kks s SER 82 Cb -0.08 -0.77 -0.01 0.00 -1.71 0.00 0.00 66.02 63.45 2kks s SER 82 CO 0.00 0.07 -0.12 -1.00 1.20 0.00 0.00 173.24 173.39 2kks s HIS 83 N -1.92 1.08 -0.24 3.44 3.76 0.18 -4.60 115.29 116.99 2kks s HIS 83 Ca 0.27 -0.21 -0.17 0.00 -0.15 0.00 0.00 55.06 54.80 2kks s HIS 83 Cb -0.08 -0.69 -0.14 0.00 1.11 0.00 0.00 32.58 32.77 2kks s HIS 83 CO 0.17 -0.02 -0.12 -0.35 -0.85 0.00 0.00 174.74 173.57 2kks n PRO 84 N 2.76 0.57 -0.57 8.40 -0.04 -1.26 -0.45 135.00 144.41 2kks n PRO 84 Ca -0.14 0.39 0.04 0.00 -0.04 0.00 0.00 63.50 63.76 2kks n PRO 84 Cb 0.56 -1.60 0.20 0.00 -0.04 0.00 0.00 33.50 32.62 2kks n PRO 84 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kks n ALA 85 N -3.90 3.60 -2.72 0.55 0.00 -1.26 -3.26 120.51 113.51 2kks n ALA 85 Ca -0.43 -3.12 -0.09 0.00 0.00 0.00 0.00 53.44 49.80 2kks n ALA 85 Cb 0.78 -0.47 -0.10 0.00 0.00 0.00 0.00 19.45 19.66 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 -3.17 0.14 0.44 0.00 -4.23 -1.26 -5.06 115.64 102.49 2kks s THR 86 Ca 0.39 -1.12 -0.07 0.00 -1.18 0.00 0.00 61.69 59.72 2kks s THR 86 Cb 0.36 -0.84 0.10 0.00 1.34 0.00 0.00 72.50 73.47 2kks s THR 86 CO -0.03 -0.62 0.59 -0.81 -0.54 0.00 0.00 174.62 173.22 2kks n PRO 87 N 0.86 -0.50 -2.23 3.99 -0.04 -1.26 -4.52 135.00 131.30 2kks n PRO 87 Ca -0.19 -0.98 -0.43 0.00 -0.04 0.00 0.00 63.50 61.86 2kks n PRO 87 Cb 0.58 -0.59 0.00 0.00 -0.04 0.00 0.00 33.50 33.45 2kks n PRO 87 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kks n ALA 88 N -3.35 5.18 -2.89 0.55 0.00 -1.26 -4.86 120.51 113.88 2kks n ALA 88 Ca -0.10 -4.16 -0.12 0.00 0.00 0.00 0.00 53.44 49.07 2kks n ALA 88 Cb 0.27 -3.18 -0.13 0.00 0.00 0.00 0.00 19.45 16.40 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 1.52 0.21 0.09 0.00 0.52 -1.26 -5.07 118.95 114.96 2kks s ARG 89 Ca 0.43 -0.30 -0.31 0.00 -0.52 0.00 0.00 55.73 55.03 2kks s ARG 89 Cb 0.09 -0.05 -0.06 0.00 0.52 0.00 0.00 34.95 35.46 2kks s ARG 89 CO -0.02 0.00 1.21 -2.14 0.02 0.00 0.00 175.30 174.38 2kks s PRO 90 N -0.65 4.44 0.59 3.54 0.02 -1.26 -5.04 135.00 136.63 2kks s PRO 90 Ca -0.06 1.81 -0.07 0.00 0.02 0.00 0.00 61.00 62.70 2kks s PRO 90 Cb -0.05 -3.32 -0.00 0.00 0.02 0.00 0.00 34.50 31.15 2kks s PRO 90 CO -0.00 -0.24 0.93 0.45 -0.33 0.00 0.00 177.00 177.81 2kks s SER 91 N 0.89 5.77 0.12 2.53 0.15 -1.26 -4.87 113.70 117.04 2kks s SER 91 Ca 0.58 0.91 -0.17 0.00 0.70 0.00 0.00 55.95 57.98 2kks s SER 91 Cb -0.31 -1.94 -0.02 0.00 -1.71 0.00 0.00 66.02 62.04 2kks s SER 91 CO 0.30 -1.00 1.67 0.00 1.20 0.00 0.00 173.24 175.42 2kks h ALA 92 N -0.20 0.46 -0.09 5.45 0.00 -1.99 0.27 119.26 123.15 2kks h ALA 92 Ca -0.45 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.13 2kks h ALA 92 Cb 1.24 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2kks h ALA 92 CO 0.62 0.06 -0.74 1.49 0.00 0.00 0.00 179.25 180.67 2kks h GLU 93 N 0.43 0.50 -0.41 0.00 4.81 -1.94 -3.21 114.58 114.75 2kks h GLU 93 Ca 0.12 -0.41 -0.10 0.00 -0.13 0.00 0.00 59.36 58.84 2kks h GLU 93 Cb 0.18 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 2kks h GLU 93 CO -0.01 1.04 -0.15 0.22 -0.73 0.00 0.00 179.01 179.37 2kks h ASP 94 N 0.34 0.76 -0.10 1.04 3.58 -1.77 -2.80 116.42 117.47 2kks h ASP 94 Ca -0.04 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.17 2kks h ASP 94 Cb 1.33 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 42.17 2kks h ASP 94 CO 0.13 0.93 0.06 0.50 -2.88 0.00 0.00 179.24 177.98 2kks h LYS 95 N 0.68 0.14 0.00 0.28 3.11 -0.47 -2.22 116.57 118.09 2kks h LYS 95 Ca 0.11 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.94 2kks h LYS 95 Cb 0.64 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.84 2kks h LYS 95 CO 0.05 0.09 0.00 0.00 -2.81 0.00 0.00 179.45 176.78 2kks h ARG 96 N 0.14 0.00 0.00 1.90 3.08 -1.56 -2.13 114.38 115.81 2kks h ARG 96 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2kks h ARG 96 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 2kks h ARG 96 CO -0.01 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.17 2kks n LEU 97 N -2.54 0.00 -4.51 3.04 4.77 -0.83 -4.63 117.00 112.30 2kks n LEU 97 Ca -0.00 0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.59 2kks n LEU 97 Cb 0.15 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 2kks n LEU 97 CO 0.18 -0.00 1.09 0.00 -1.33 0.00 0.00 177.39 177.33 2kks s ALA 98 N -2.06 2.95 -0.05 -1.18 0.00 -0.80 -4.82 121.76 115.80 2kks s ALA 98 Ca 0.45 -1.94 0.13 0.00 0.00 0.00 0.00 51.96 50.60 2kks s ALA 98 Cb 0.21 -4.17 -0.16 0.00 0.00 0.00 0.00 23.12 19.00 2kks s ALA 98 CO 0.37 -3.17 0.95 0.74 0.00 0.00 0.00 175.76 174.65 2kks h PHE 99 N 9.65 0.00 -2.89 0.00 0.04 -1.90 -3.46 116.94 118.39 2kks h PHE 99 Ca -0.10 0.00 -0.63 0.00 2.80 0.00 0.00 57.97 60.04 2kks h PHE 99 Cb 1.04 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.14 2kks h PHE 99 CO 1.12 0.81 -0.37 0.34 -0.60 0.00 0.00 178.31 179.61 2kks s ASP 100 N -6.19 6.52 0.00 2.17 -1.08 -1.26 -4.99 116.67 111.84 2kks s ASP 100 Ca -0.02 0.60 0.11 0.00 -0.52 0.00 0.00 52.55 52.72 2kks s ASP 100 Cb 0.09 -2.11 0.57 0.00 -1.46 0.00 0.00 42.92 40.01 2kks s ASP 100 CO 0.81 0.28 1.18 -0.81 0.52 0.00 0.00 175.17 177.15 2kks n PRO 101 N 1.30 0.21 0.07 4.34 -0.04 -1.26 -4.14 135.00 135.48 2kks n PRO 101 Ca -0.13 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2kks n PRO 101 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 2kks n PRO 101 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2kks n SER 102 N -1.19 -0.38 -0.33 3.54 7.64 -1.25 -4.44 113.62 117.22 2kks n SER 102 Ca 0.06 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.19 2kks n SER 102 Cb 0.07 0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 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 -2.93 0.00 -3.56 -3.43 4.77 -1.26 -2.65 117.00 107.95 2kks n LEU 103 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 2kks n LEU 103 Cb 0.00 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 40.97 2kks n LEU 103 CO 0.00 -0.55 -0.29 -0.44 -1.33 0.00 0.00 177.39 174.78 2kks s SER 104 N -4.00 3.16 -0.69 -1.43 0.01 -0.31 -4.83 113.70 105.62 2kks s SER 104 Ca 0.00 -2.41 -0.16 0.00 1.31 0.00 0.00 55.95 54.69 2kks s SER 104 Cb 0.00 -0.65 0.16 0.00 0.21 0.00 0.00 66.02 65.74 2kks s SER 104 CO 0.00 -0.28 0.69 -0.47 0.41 0.00 0.00 173.24 173.59 2kks s TYR 105 N 0.73 3.38 -0.15 2.43 6.14 -0.52 -1.34 117.35 128.03 2kks s TYR 105 Ca 0.19 -1.49 -0.24 0.00 0.64 0.00 0.00 57.07 56.17 2kks s TYR 105 Cb -0.22 -3.89 -0.02 0.00 0.42 0.00 0.00 41.96 38.25 2kks s TYR 105 CO -0.00 -1.10 0.76 -0.51 0.64 0.00 0.00 175.55 175.33 2kks s LEU 106 N 1.38 4.21 -0.18 6.97 1.02 -0.28 0.26 118.68 132.05 2kks s LEU 106 Ca 0.13 1.11 -0.02 0.00 0.02 0.00 0.00 54.13 55.36 2kks s LEU 106 Cb -0.20 -3.12 -0.01 0.00 0.02 0.00 0.00 46.19 42.88 2kks s LEU 106 CO -0.02 -0.30 -0.08 -0.63 0.02 0.00 0.00 176.35 175.35 2kks s ILE 107 N 1.73 3.24 -0.24 -0.59 1.01 -0.05 0.23 121.20 126.53 2kks s ILE 107 Ca 0.36 -0.56 -0.08 0.00 0.00 0.00 0.00 60.65 60.37 2kks s ILE 107 Cb -0.17 -2.43 -0.03 0.00 0.01 0.00 0.00 42.46 39.84 2kks s ILE 107 CO 0.14 0.47 0.09 -0.63 0.00 0.00 0.00 174.94 175.00 2kks s ILE 108 N 1.01 4.56 -0.50 2.92 1.01 0.04 -2.02 121.20 128.22 2kks s ILE 108 Ca -0.00 -0.09 -0.19 0.00 0.00 0.00 0.00 60.65 60.37 2kks s ILE 108 Cb -0.15 -3.12 0.06 0.00 0.01 0.00 0.00 42.46 39.26 2kks s ILE 108 CO -0.01 0.35 0.60 -0.55 0.00 0.00 0.00 174.94 175.34 2kks s SER 109 N 1.38 6.22 -0.38 3.58 0.15 0.15 -0.65 113.70 124.15 2kks s SER 109 Ca 0.06 -0.95 0.05 0.00 0.70 0.00 0.00 55.95 55.80 2kks s SER 109 Cb -0.15 -2.28 0.63 0.00 -1.71 0.00 0.00 66.02 62.51 2kks s SER 109 CO 0.04 -0.87 1.81 -0.11 1.20 0.00 0.00 173.24 175.31 2kks n LEU 110 N 6.07 6.25 0.29 3.45 0.00 0.40 -1.43 117.00 132.03 2kks n LEU 110 Ca -0.07 -3.31 0.16 0.00 0.00 0.00 0.00 56.01 52.78 2kks n LEU 110 Cb 0.45 -0.79 0.93 0.00 0.00 0.00 0.00 43.42 44.01 2kks n LEU 110 CO 0.53 0.94 1.13 0.00 0.00 0.00 0.00 177.39 180.00 2kks h ALA 111 N 1.47 1.52 -4.35 1.96 0.00 -1.68 -3.39 119.26 114.78 2kks h ALA 111 Ca 0.50 -0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.81 2kks h ALA 111 Cb 2.59 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 20.08 2kks h ALA 111 CO 0.93 -0.02 -0.85 -2.00 0.00 0.00 0.00 179.25 177.31 2kks s GLU 112 N -4.61 1.73 0.31 0.00 2.56 -1.26 -4.99 118.70 112.44 2kks s GLU 112 Ca -0.05 -0.73 0.20 0.00 0.00 0.00 0.00 54.97 54.39 2kks s GLU 112 Cb 0.15 -1.64 0.15 0.00 2.00 0.00 0.00 34.13 34.79 2kks s GLU 112 CO 0.54 0.42 1.37 -1.35 -0.56 0.00 0.00 175.26 175.68 2kks h PRO 113 N 5.71 0.00 0.00 4.30 0.11 -1.96 -3.28 132.00 136.89 2kks h PRO 113 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2kks h PRO 113 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2kks h PRO 113 CO 0.48 0.16 -0.65 1.04 -0.21 0.00 0.00 178.00 178.82 2kks n GLN 114 N -3.02 0.23 -3.06 1.05 6.02 -1.26 -4.66 117.38 112.67 2kks n GLN 114 Ca 0.01 0.06 -0.07 0.00 -0.01 0.00 0.00 57.00 56.99 2kks n GLN 114 Cb 0.62 -1.63 -0.02 0.00 1.02 0.00 0.00 30.24 30.22 2kks n GLN 114 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2kks s LYS 115 N -3.14 0.91 -0.24 -1.09 2.20 -1.24 -5.12 119.74 112.02 2kks s LYS 115 Ca 0.07 -0.92 -0.29 0.00 -0.36 0.00 0.00 55.97 54.47 2kks s LYS 115 Cb 0.14 -0.27 0.01 0.00 -1.51 0.00 0.00 37.83 36.20 2kks s LYS 115 CO 0.72 -1.27 1.08 -2.14 -0.36 0.00 0.00 175.35 173.38 2kks s PRO 116 N 1.15 4.20 -0.19 4.03 0.02 -1.24 -4.34 135.00 138.63 2kks s PRO 116 Ca 0.24 1.33 -0.25 0.00 0.02 0.00 0.00 61.00 62.34 2kks s PRO 116 Cb -0.03 -3.68 -0.01 0.00 0.02 0.00 0.00 34.50 30.79 2kks s PRO 116 CO -0.07 -0.72 0.82 0.08 -0.33 0.00 0.00 177.00 176.79 2kks s VAL 117 N 3.38 4.87 -0.21 3.83 1.01 -0.52 -4.88 120.40 127.88 2kks s VAL 117 Ca 0.46 1.59 -0.02 0.00 0.00 0.00 0.00 61.98 64.01 2kks s VAL 117 Cb -0.15 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 32.11 2kks s VAL 117 CO 0.10 -0.00 -0.09 0.00 0.00 0.00 0.00 175.10 175.10 2kks s LYS 119 N 1.40 1.48 -0.08 0.00 1.02 -0.86 -4.95 119.74 117.75 2kks s LYS 119 Ca 0.05 -1.76 0.05 0.00 0.02 0.00 0.00 55.97 54.33 2kks s LYS 119 Cb -0.14 -0.89 -0.01 0.00 -0.52 0.00 0.00 37.83 36.28 2kks s LYS 119 CO -0.06 -0.05 -0.25 0.45 -0.92 0.00 0.00 175.35 174.52 2kks s SER 120 N -3.39 3.07 -0.08 2.83 0.15 -1.23 -0.87 113.70 114.18 2kks s SER 120 Ca 0.30 -0.53 0.04 0.00 0.70 0.00 0.00 55.95 56.45 2kks s SER 120 Cb 0.05 -1.11 0.00 0.00 -1.71 0.00 0.00 66.02 63.26 2kks s SER 120 CO 0.11 0.20 -0.20 -0.36 1.20 0.00 0.00 173.24 174.20 2kks s PHE 121 N 0.07 2.13 -0.45 3.44 0.08 0.14 0.52 117.98 123.91 2kks s PHE 121 Ca -0.11 -0.81 -0.20 0.00 0.12 0.00 0.00 56.93 55.93 2kks s PHE 121 Cb -0.16 -1.45 0.03 0.00 -0.57 0.00 0.00 43.02 40.87 2kks s PHE 121 CO 0.06 -0.34 0.61 -0.51 -0.10 0.00 0.00 175.22 174.94 2kks s LEU 122 N 0.38 4.64 -0.44 -0.37 1.43 0.22 -1.44 118.68 123.10 2kks s LEU 122 Ca -0.15 -0.50 -0.25 0.00 -1.03 0.00 0.00 54.13 52.20 2kks s LEU 122 Cb -0.16 -2.62 0.02 0.00 0.03 0.00 0.00 46.19 43.46 2kks s LEU 122 CO 0.06 -0.77 0.90 -0.63 0.23 0.00 0.00 176.35 176.14 2kks s ILE 123 N 2.69 4.53 0.40 -0.59 1.01 -1.08 -1.40 121.20 126.76 2kks s ILE 123 Ca 0.20 0.80 0.02 0.00 0.00 0.00 0.00 60.65 61.66 2kks s ILE 123 Cb -0.15 -4.39 0.02 0.00 0.01 0.00 0.00 42.46 37.95 2kks s ILE 123 CO 0.17 -0.74 0.14 0.29 0.00 0.00 0.00 174.94 174.80 2kks n LYS 124 N 6.99 0.99 0.23 2.79 5.02 -0.61 -3.77 118.16 129.80 2kks n LYS 124 Ca 0.06 -2.70 -0.10 0.00 -2.02 0.00 0.00 58.31 53.55 2kks n LYS 124 Cb 0.48 0.54 -0.05 0.00 -0.02 0.00 0.00 35.03 35.98 2kks n LYS 124 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2kks h LYS 125 N 0.00 -0.61 -0.41 1.97 3.64 -1.95 -3.32 116.57 115.90 2kks h LYS 125 Ca -0.29 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 2kks h LYS 125 Cb 0.96 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 2kks h LYS 125 CO 0.48 -0.41 0.00 -0.25 -2.27 0.00 0.00 179.45 177.00 2kks n ASP 126 N -4.67 2.00 0.00 4.20 8.00 -1.26 -4.95 116.55 119.86 2kks n ASP 126 Ca -0.08 -2.07 0.00 0.00 0.71 0.00 0.00 54.79 53.35 2kks n ASP 126 Cb 0.25 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 2kks n ASP 126 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kks n GLY 127 N 0.91 -1.14 3.32 0.44 0.00 -1.25 -5.13 105.19 102.34 2kks n GLY 127 Ca 0.11 -1.30 -0.30 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.90 2.04 -0.10 1.61 0.11 -1.26 -1.58 120.40 118.32 2kks s VAL 128 Ca 0.00 -1.27 0.01 0.00 -2.93 0.00 0.00 61.98 57.79 2kks s VAL 128 Cb 0.00 -1.73 0.02 0.00 -1.53 0.00 0.00 36.38 33.13 2kks s VAL 128 CO 0.00 0.41 -0.13 -0.62 -3.33 0.00 0.00 175.10 171.43 2kks s ASP 129 N -1.03 2.25 0.21 3.54 2.15 -0.49 -4.96 116.67 118.33 2kks s ASP 129 Ca 0.11 -0.38 -0.27 0.00 0.43 0.00 0.00 52.55 52.44 2kks s ASP 129 Cb -0.10 -0.99 -0.09 0.00 -0.30 0.00 0.00 42.92 41.45 2kks s ASP 129 CO 0.01 -0.01 0.86 -1.83 -0.17 0.00 0.00 175.17 174.03 2kks s GLU 130 N 1.07 4.69 -0.20 4.34 -1.05 -1.26 0.69 118.70 126.98 2kks s GLU 130 Ca -0.06 1.31 -0.07 0.00 -0.15 0.00 0.00 54.97 56.00 2kks s GLU 130 Cb -0.15 -3.23 -0.04 0.00 -0.44 0.00 0.00 34.13 30.27 2kks s GLU 130 CO -0.02 0.53 0.06 -2.00 0.95 0.00 0.00 175.26 174.78 2kks s GLU 131 N -1.24 3.88 0.29 -4.83 2.56 0.18 -4.88 118.70 114.66 2kks s GLU 131 Ca 0.39 -0.39 -0.29 0.00 0.00 0.00 0.00 54.97 54.68 2kks s GLU 131 Cb -0.24 -3.22 -0.10 0.00 2.00 0.00 0.00 34.13 32.58 2kks s GLU 131 CO 0.29 0.16 1.26 -1.83 -0.56 0.00 0.00 175.26 174.58 2kks s GLU 132 N 0.66 4.43 -0.24 4.30 1.03 -1.26 -3.55 118.70 124.07 2kks s GLU 132 Ca 0.03 2.08 -0.06 0.00 0.03 0.00 0.00 54.97 57.04 2kks s GLU 132 Cb -0.13 -3.13 -0.02 0.00 -0.80 0.00 0.00 34.13 30.05 2kks s GLU 132 CO 0.02 -0.11 0.03 0.42 -1.33 0.00 0.00 175.26 174.29 2kks s ILE 133 N -0.82 3.99 -0.16 1.83 1.01 -1.26 -1.69 121.20 124.09 2kks s ILE 133 Ca 0.50 -0.30 -0.03 0.00 0.00 0.00 0.00 60.65 60.81 2kks s ILE 133 Cb -0.37 -2.86 -0.02 0.00 0.01 0.00 0.00 42.46 39.21 2kks s ILE 133 CO 0.46 0.35 -0.04 -0.63 0.00 0.00 0.00 174.94 175.08 2kks s ILE 134 N 1.57 3.76 0.01 2.92 1.09 -0.51 -5.02 121.20 125.02 2kks s ILE 134 Ca 0.06 -0.40 -0.18 0.00 -1.10 0.00 0.00 60.65 59.03 2kks s ILE 134 Cb -0.15 -2.65 -0.06 0.00 -1.06 0.00 0.00 42.46 38.54 2kks s ILE 134 CO 0.01 0.48 0.51 -0.76 -0.10 0.00 0.00 174.94 175.08 2kks s LEU 135 N 0.53 4.47 0.11 2.97 1.43 -1.25 -1.86 118.68 125.06 2kks s LEU 135 Ca -0.04 1.09 0.09 0.00 -1.03 0.00 0.00 54.13 54.25 2kks s LEU 135 Cb -0.14 -2.77 -0.04 0.00 0.03 0.00 0.00 46.19 43.27 2kks s LEU 135 CO 0.03 0.23 -0.23 -0.54 0.23 0.00 0.00 176.35 176.08 2kks s LYS 136 N -0.76 1.22 0.39 1.70 -0.14 0.02 -4.95 119.74 117.21 2kks s LYS 136 Ca 0.27 -1.20 0.15 0.00 -1.36 0.00 0.00 55.97 53.83 2kks s LYS 136 Cb -0.18 -1.54 0.78 0.00 -1.68 0.00 0.00 37.83 35.22 2kks s LYS 136 CO 0.16 0.36 1.83 0.93 -0.76 0.00 0.00 175.35 177.87 2kks h GLU 137 N 4.07 0.00 -3.04 1.68 3.07 -1.96 -1.67 114.58 116.74 2kks h GLU 137 Ca -0.47 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.35 2kks h GLU 137 Cb 1.18 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 28.95 2kks h GLU 137 CO 0.40 0.35 0.09 -2.00 -1.40 0.00 0.00 179.01 176.45 2kks s GLU 138 N -4.09 1.16 0.33 2.33 2.12 -1.26 -4.69 118.70 114.60 2kks s GLU 138 Ca -0.02 -0.47 -0.29 0.00 0.36 0.00 0.00 54.97 54.55 2kks s GLU 138 Cb 0.14 0.53 -0.10 0.00 0.26 0.00 0.00 34.13 34.95 2kks s GLU 138 CO 0.71 -0.47 1.30 -0.51 -0.54 0.00 0.00 175.26 175.75 2kks s LEU 139 N -2.55 4.43 0.20 2.70 1.43 -1.26 -4.93 118.68 118.70 2kks s LEU 139 Ca -0.00 2.68 -0.14 0.00 -1.03 0.00 0.00 54.13 55.64 2kks s LEU 139 Cb -0.00 -3.65 -0.08 0.00 0.03 0.00 0.00 46.19 42.49 2kks s LEU 139 CO -0.10 -0.53 0.61 -1.83 0.23 0.00 0.00 176.35 174.73 2kks s GLU 140 N -1.80 3.99 0.29 1.70 -1.05 -1.26 -5.09 118.70 115.49 2kks s GLU 140 Ca 0.49 0.54 0.03 0.00 -0.15 0.00 0.00 54.97 55.88 2kks s GLU 140 Cb -0.40 -2.78 -0.06 0.00 -0.44 0.00 0.00 34.13 30.45 2kks s GLU 140 CO 0.53 0.38 0.05 -1.01 0.95 0.00 0.00 175.26 176.16 2kks s HIS 141 N -1.63 1.82 0.09 4.83 3.76 -1.26 -5.10 115.29 117.80 2kks s HIS 141 Ca 0.43 -0.98 -0.31 0.00 -0.15 0.00 0.00 55.06 54.06 2kks s HIS 141 Cb -0.14 -1.14 -0.10 0.00 1.11 0.00 0.00 32.58 32.31 2kks s HIS 141 CO 0.20 -0.05 1.90 -3.38 -0.85 0.00 0.00 174.74 172.56 2kks s HIS 142 N -3.39 1.74 -0.46 1.40 -3.43 -1.26 -4.96 115.29 104.93 2kks s HIS 142 Ca 0.35 -0.24 0.03 0.00 -0.80 0.00 0.00 55.06 54.40 2kks s HIS 142 Cb 0.08 -4.22 0.13 0.00 -1.43 0.00 0.00 32.58 27.13 2kks s HIS 142 CO 0.14 -5.24 0.22 -1.01 -2.00 0.00 0.00 174.74 166.84 2kks s HIS 143 N 3.52 2.75 -0.31 0.38 3.76 -1.26 -5.09 115.29 119.04 2kks s HIS 143 Ca 0.85 -2.81 -0.29 0.00 -0.15 0.00 0.00 55.06 52.65 2kks s HIS 143 Cb -0.45 -2.45 -0.01 0.00 1.11 0.00 0.00 32.58 30.79 2kks s HIS 143 CO 0.39 -0.79 1.47 -3.38 -0.85 0.00 0.00 174.74 171.58 2kks s HIS 144 N 0.18 2.35 0.33 1.40 -3.43 -1.26 -4.76 115.29 110.10 2kks s HIS 144 Ca 0.16 0.70 0.00 0.00 -0.80 0.00 0.00 55.06 55.12 2kks s HIS 144 Cb -0.24 -4.06 0.00 0.00 -1.43 0.00 0.00 32.58 26.84 2kks s HIS 144 CO -0.02 -2.26 0.00 1.58 -2.00 0.00 0.00 174.74 172.04 2kks n HIS 145 N 8.46 -2.96 1.36 0.38 -0.00 -1.26 -5.35 115.22 115.85 2kks n HIS 145 Ca 0.17 1.57 0.13 0.00 0.46 0.00 0.00 57.72 60.06 2kks n HIS 145 Cb 0.47 -2.73 0.41 0.00 -0.12 0.00 0.00 29.99 28.02 2kks n HIS 145 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52