#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ksl s SER 1 N 0.00 6.45 0.12 1.61 0.15 -1.26 -5.20 113.70 115.57 1ksl s SER 1 Ca 0.00 0.35 -0.24 0.00 0.70 0.00 0.00 55.95 56.76 1ksl s SER 1 Cb 0.00 -2.31 0.08 0.00 -1.71 0.00 0.00 66.02 62.08 1ksl s SER 1 CO 0.00 -0.46 1.12 0.00 1.20 0.00 0.00 173.24 175.10 1ksl n HIS 1 N 5.82 -1.03 -3.38 3.44 1.44 -1.26 -4.46 115.22 115.79 1ksl n HIS 1 Ca -0.02 -1.09 -0.33 0.00 -2.01 0.00 0.00 57.72 54.27 1ksl n HIS 1 Cb 0.49 0.52 -0.06 0.00 0.12 0.00 0.00 29.99 31.07 1ksl n HIS 1 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1ksl s ARG 2 N -2.04 3.86 0.17 -1.40 0.52 -1.26 -5.00 118.95 113.79 1ksl s ARG 2 Ca 0.25 0.35 -0.13 0.00 -0.52 0.00 0.00 55.73 55.69 1ksl s ARG 2 Cb -0.02 -2.69 0.06 0.00 0.52 0.00 0.00 34.95 32.82 1ksl s ARG 2 CO 0.03 0.34 1.73 1.25 0.02 0.00 0.00 175.30 178.67 1ksl h LEU 3 N 2.74 0.77 -1.87 2.53 5.85 -1.08 -2.28 115.31 121.97 1ksl h LEU 3 Ca -0.47 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.07 1ksl h LEU 3 Cb 1.17 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.00 1ksl h LEU 3 CO 0.68 0.72 -0.06 -2.24 -0.34 0.00 0.00 178.44 177.20 1ksl h ASP 4 N 0.77 0.01 -0.11 1.25 -0.00 -1.70 0.68 116.42 117.32 1ksl h ASP 4 Ca 0.19 -0.00 -0.23 0.00 -0.00 0.00 0.00 57.03 56.98 1ksl h ASP 4 Cb 0.19 -0.00 0.01 0.00 -0.00 0.00 0.00 39.33 39.53 1ksl h ASP 4 CO -0.02 0.07 -0.84 0.50 -0.00 0.00 0.00 179.24 178.95 1ksl h LYS 5 N 0.01 0.77 -0.31 4.15 3.64 -1.74 -1.66 116.57 121.43 1ksl h LYS 5 Ca 0.00 -0.68 -0.04 0.00 -1.27 0.00 0.00 60.65 58.67 1ksl h LYS 5 Cb 0.11 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1ksl h LYS 5 CO 0.01 1.27 0.05 0.35 -2.27 0.00 0.00 179.45 178.86 1ksl h PHE 6 N 0.51 0.56 -0.75 1.91 3.04 -0.77 -1.66 116.94 119.78 1ksl h PHE 6 Ca -0.07 -0.08 -0.04 0.00 3.98 0.00 0.00 57.97 61.76 1ksl h PHE 6 Cb 1.48 -0.15 -0.03 0.00 2.56 0.00 0.00 35.95 39.80 1ksl h PHE 6 CO 0.09 0.60 0.31 0.82 -2.02 0.00 0.00 178.31 178.11 1ksl h ILE 7 N 0.35 1.25 -0.01 1.41 1.08 -0.92 0.25 117.51 120.91 1ksl h ILE 7 Ca 0.10 -0.77 0.00 0.00 -0.39 0.00 0.00 64.86 63.80 1ksl h ILE 7 Cb 0.35 0.34 -0.00 0.00 -3.07 0.00 0.00 36.82 34.44 1ksl h ILE 7 CO 0.01 0.31 -0.01 0.00 -0.69 0.00 0.00 178.15 177.77 1ksl h ALA 8 N 1.25 -0.00 0.17 1.87 0.00 -1.13 -0.03 119.26 121.39 1ksl h ALA 8 Ca 0.25 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1ksl h ALA 8 Cb 0.19 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1ksl h ALA 8 CO -0.02 -0.51 -0.25 0.37 0.00 0.00 0.00 179.25 178.84 1ksl h GLN 9 N -0.02 -0.47 -0.84 0.00 4.15 -0.96 0.21 115.11 117.19 1ksl h GLN 9 Ca 0.01 0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.46 1ksl h GLN 9 Cb 0.03 0.11 -0.04 0.00 0.21 0.00 0.00 27.48 27.78 1ksl h GLN 9 CO -0.02 -0.31 0.51 1.96 -1.93 0.00 0.00 178.83 179.04 1ksl h GLN 10 N -0.49 1.14 -0.01 1.69 1.08 -0.77 -2.93 115.11 114.83 1ksl h GLN 10 Ca 0.01 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 1ksl h GLN 10 Cb 0.49 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 1ksl h GLN 10 CO -0.11 0.80 -0.50 1.28 -0.95 0.00 0.00 178.83 179.36 1ksl n LEU 11 N -4.37 1.51 -2.83 1.46 4.77 -0.04 -4.96 117.00 112.54 1ksl n LEU 11 Ca 0.09 -0.54 -0.14 0.00 -0.03 0.00 0.00 56.01 55.39 1ksl n LEU 11 Cb 0.06 -0.05 0.07 0.00 -2.33 0.00 0.00 43.42 41.17 1ksl n LEU 11 CO 0.38 0.29 0.12 0.61 -1.33 0.00 0.00 177.39 177.45 1ksl n GLY 12 N 1.42 -0.16 3.28 -0.72 0.00 0.62 -5.03 105.19 104.60 1ksl n GLY 12 Ca 0.09 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 1ksl n GLY 12 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ksl s VAL 13 N -3.26 1.18 0.81 1.61 -7.23 -0.41 -5.04 120.40 108.05 1ksl s VAL 13 Ca 0.14 -2.07 -0.11 0.00 -1.81 0.00 0.00 61.98 58.13 1ksl s VAL 13 Cb -0.06 -2.03 0.08 0.00 0.56 0.00 0.00 36.38 34.93 1ksl s VAL 13 CO 0.55 -0.60 1.13 -0.94 -0.31 0.00 0.00 175.10 174.93 1ksl s SER 14 N -3.23 3.90 0.38 4.85 1.04 -1.26 -4.48 113.70 114.91 1ksl s SER 14 Ca 0.21 2.05 0.09 0.00 0.48 0.00 0.00 55.95 58.78 1ksl s SER 14 Cb 0.03 -2.55 0.75 0.00 0.10 0.00 0.00 66.02 64.35 1ksl s SER 14 CO 0.04 -2.45 1.91 -0.09 0.98 0.00 0.00 173.24 173.63 1ksl h ARG 15 N -1.20 0.30 -0.63 4.02 2.43 -1.94 -1.26 114.38 116.09 1ksl h ARG 15 Ca -0.44 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 58.63 1ksl h ARG 15 Cb 1.26 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.74 1ksl h ARG 15 CO 0.48 0.41 0.25 0.00 -1.51 0.00 0.00 179.97 179.60 1ksl h ALA 16 N 1.62 0.82 0.00 2.80 0.00 -1.93 -0.60 119.26 121.97 1ksl h ALA 16 Ca 0.06 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1ksl h ALA 16 Cb 0.36 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1ksl h ALA 16 CO 0.02 0.44 -0.44 0.82 0.00 0.00 0.00 179.25 180.09 1ksl h ILE 17 N 0.89 0.84 -0.53 0.00 5.03 -1.83 -2.05 117.51 119.86 1ksl h ILE 17 Ca 0.21 -1.90 -0.08 0.00 -0.12 0.00 0.00 64.86 62.98 1ksl h ILE 17 Cb 0.21 2.21 -0.02 0.00 -3.03 0.00 0.00 36.82 36.18 1ksl h ILE 17 CO -0.02 0.43 0.03 0.00 -0.68 0.00 0.00 178.15 177.92 1ksl h ALA 18 N 1.56 0.71 -0.68 1.87 0.00 -0.76 -0.58 119.26 121.38 1ksl h ALA 18 Ca -0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1ksl h ALA 18 Cb 1.17 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1ksl h ALA 18 CO 0.06 0.50 0.31 0.78 0.00 0.00 0.00 179.25 180.90 1ksl h GLY 19 N 0.79 1.07 0.70 0.00 0.00 -0.89 -0.44 103.07 104.30 1ksl h GLY 19 Ca 0.15 -0.54 0.04 0.00 0.00 0.00 0.00 47.33 46.99 1ksl h GLY 19 CO 0.02 0.52 0.20 -0.09 0.00 0.00 0.00 176.54 177.19 1ksl h ARG 20 N 0.95 0.39 -0.63 4.80 2.43 -0.83 -0.64 114.38 120.86 1ksl h ARG 20 Ca 0.23 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.29 1ksl h ARG 20 Cb 0.14 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1ksl h ARG 20 CO -0.03 0.26 0.05 0.93 -1.51 0.00 0.00 179.97 179.68 1ksl h GLU 21 N 0.41 1.07 -0.77 0.20 4.39 -0.72 -1.55 114.58 117.61 1ksl h GLU 21 Ca 0.20 -0.31 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 1ksl h GLU 21 Cb 0.14 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.64 1ksl h GLU 21 CO -0.17 1.01 0.40 0.82 -1.16 0.00 0.00 179.01 179.91 1ksl h ILE 22 N 0.99 1.24 0.00 3.13 2.04 -0.51 -0.45 117.51 123.96 1ksl h ILE 22 Ca 0.19 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1ksl h ILE 22 Cb 0.50 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1ksl h ILE 22 CO 0.02 0.28 0.00 0.54 0.00 0.00 0.00 178.15 178.99 1ksl n ARG 23 N -4.41 0.46 -0.10 2.37 1.74 -0.30 -2.49 116.66 113.93 1ksl n ARG 23 Ca 0.07 0.02 0.10 0.00 -0.77 0.00 0.00 57.85 57.27 1ksl n ARG 23 Cb 0.11 -1.50 0.34 0.00 -1.02 0.00 0.00 32.46 30.39 1ksl n ARG 23 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ksl n GLY 24 N 1.07 0.52 2.34 -0.13 0.00 -0.19 -4.92 105.19 103.88 1ksl n GLY 24 Ca 0.14 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.55 1ksl n GLY 24 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ksl n ASN 25 N 0.51 -4.64 0.02 1.61 3.02 -1.04 -4.89 115.26 109.86 1ksl n ASN 25 Ca 0.16 0.12 0.11 0.00 -0.03 0.00 0.00 54.58 54.95 1ksl n ASN 25 Cb 0.37 -3.67 0.04 0.00 -0.61 0.00 0.00 39.78 35.91 1ksl n ASN 25 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1ksl n ARG 26 N -2.49 0.25 -4.19 3.52 1.74 -1.16 -4.89 116.66 109.44 1ksl n ARG 26 Ca -0.17 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.57 1ksl n ARG 26 Cb 0.59 -1.58 -0.10 0.00 -1.02 0.00 0.00 32.46 30.34 1ksl n ARG 26 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ksl s VAL 27 N -3.17 4.46 0.15 1.55 1.01 -1.26 -0.66 120.40 122.48 1ksl s VAL 27 Ca 0.05 -0.16 0.10 0.00 0.00 0.00 0.00 61.98 61.96 1ksl s VAL 27 Cb 0.15 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1ksl s VAL 27 CO 0.79 0.50 -0.22 -0.89 0.00 0.00 0.00 175.10 175.29 1ksl s THR 28 N 0.08 2.01 -0.06 3.92 2.01 -0.25 -1.84 115.64 121.51 1ksl s THR 28 Ca 0.03 -1.84 -0.02 0.00 0.31 0.00 0.00 61.69 60.17 1ksl s THR 28 Cb -0.13 -1.88 0.04 0.00 0.01 0.00 0.00 72.50 70.54 1ksl s THR 28 CO 0.01 -0.14 0.10 0.68 -0.69 0.00 0.00 174.62 174.59 1ksl s VAL 29 N -1.60 -0.13 -1.46 3.82 -7.23 0.63 -1.07 120.40 113.36 1ksl s VAL 29 Ca 0.15 0.30 -0.10 0.00 -1.81 0.00 0.00 61.98 60.52 1ksl s VAL 29 Cb -0.08 -0.20 0.05 0.00 0.56 0.00 0.00 36.38 36.71 1ksl s VAL 29 CO 0.07 0.13 0.91 0.47 -0.31 0.00 0.00 175.10 176.37 1ksl n ASP 30 N 4.81 -5.39 0.00 4.85 10.43 0.30 -2.00 116.55 129.56 1ksl n ASP 30 Ca -0.14 -0.57 0.00 0.00 2.57 0.00 0.00 54.79 56.65 1ksl n ASP 30 Cb 0.50 -4.31 0.00 0.00 1.84 0.00 0.00 41.12 39.16 1ksl n ASP 30 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1ksl n GLY 31 N -1.69 3.15 3.85 0.44 0.00 -1.26 -5.02 105.19 104.66 1ksl n GLY 31 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1ksl n GLY 31 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ksl s GLU 32 N -0.32 3.23 0.25 1.61 2.02 -0.85 -5.04 118.70 119.61 1ksl s GLU 32 Ca 0.00 -0.47 -0.30 0.00 0.02 0.00 0.00 54.97 54.23 1ksl s GLU 32 Cb 0.00 -2.95 -0.09 0.00 0.10 0.00 0.00 34.13 31.19 1ksl s GLU 32 CO 0.00 0.63 1.18 0.42 0.02 0.00 0.00 175.26 177.51 1ksl s ILE 33 N -1.34 3.38 -0.19 -1.63 1.01 -1.26 -0.27 121.20 120.90 1ksl s ILE 33 Ca 0.28 1.29 0.01 0.00 0.00 0.00 0.00 60.65 62.22 1ksl s ILE 33 Cb -0.12 -3.82 0.04 0.00 0.01 0.00 0.00 42.46 38.57 1ksl s ILE 33 CO 0.20 0.26 -0.11 -0.69 0.00 0.00 0.00 174.94 174.61 1ksl s VAL 34 N -0.67 1.60 -2.78 2.92 1.01 -0.77 -4.89 120.40 116.82 1ksl s VAL 34 Ca 0.49 -0.92 0.24 0.00 0.00 0.00 0.00 61.98 61.79 1ksl s VAL 34 Cb -0.34 -1.65 0.30 0.00 0.00 0.00 0.00 36.38 34.69 1ksl s VAL 34 CO 0.41 0.21 1.35 0.54 0.00 0.00 0.00 175.10 177.61 1ksl n ARG 35 N 4.71 2.32 -3.41 2.72 1.74 -1.26 -4.64 116.66 118.84 1ksl n ARG 35 Ca -0.15 -1.95 -0.40 0.00 -0.77 0.00 0.00 57.85 54.58 1ksl n ARG 35 Cb 0.47 -1.48 -0.09 0.00 -1.02 0.00 0.00 32.46 30.34 1ksl n ARG 35 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1ksl s ASN 36 N -1.83 6.19 0.47 0.55 3.84 -1.26 -4.15 114.94 118.75 1ksl s ASN 36 Ca 0.32 -0.04 0.22 0.00 0.21 0.00 0.00 52.86 53.58 1ksl s ASN 36 Cb 0.21 -2.20 1.18 0.00 -0.55 0.00 0.00 41.25 39.89 1ksl s ASN 36 CO 0.31 -0.27 1.98 0.00 -2.79 0.00 0.00 177.10 176.33 1ksl h ALA 37 N 8.36 1.31 -0.36 1.71 0.00 -1.90 -2.80 119.26 125.58 1ksl h ALA 37 Ca -0.31 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1ksl h ALA 37 Cb 1.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1ksl h ALA 37 CO 0.67 0.24 0.00 0.00 0.00 0.00 0.00 179.25 180.16 1ksl n ALA 38 N -2.34 2.45 -1.61 0.00 0.00 -1.26 -2.04 120.51 115.72 1ksl n ALA 38 Ca -0.02 -0.72 -0.49 0.00 0.00 0.00 0.00 53.44 52.22 1ksl n ALA 38 Cb 0.30 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 18.72 1ksl n ALA 38 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ksl n PHE 39 N 0.71 1.59 -2.72 0.00 7.35 -1.06 -4.67 117.46 118.66 1ksl n PHE 39 Ca 0.15 0.59 -0.42 0.00 -0.76 0.00 0.00 57.45 57.01 1ksl n PHE 39 Cb 0.37 -2.35 -0.03 0.00 0.35 0.00 0.00 39.48 37.82 1ksl n PHE 39 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 1ksl s LYS 40 N -0.02 3.24 -0.06 -4.13 2.20 -1.26 -0.96 119.74 118.75 1ksl s LYS 40 Ca 0.76 -0.73 -0.30 0.00 -0.36 0.00 0.00 55.97 55.34 1ksl s LYS 40 Cb -0.83 -4.40 -0.04 0.00 -1.51 0.00 0.00 37.83 31.05 1ksl s LYS 40 CO 0.49 -1.98 1.32 -1.17 -0.36 0.00 0.00 175.35 173.64 1ksl s LEU 41 N 4.66 4.27 0.23 5.43 2.96 -1.26 -4.98 118.68 129.99 1ksl s LEU 41 Ca 0.31 1.92 0.05 0.00 -0.22 0.00 0.00 54.13 56.19 1ksl s LEU 41 Cb -0.11 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 1ksl s LEU 41 CO 0.08 -0.69 0.27 -0.76 -1.32 0.00 0.00 176.35 173.92 1ksl s LEU 42 N 2.68 4.08 0.56 -0.68 1.43 -1.26 -4.42 118.68 121.07 1ksl s LEU 42 Ca 0.60 -0.06 0.24 0.00 -1.03 0.00 0.00 54.13 53.88 1ksl s LEU 42 Cb -0.27 -2.63 1.55 0.00 0.03 0.00 0.00 46.19 44.87 1ksl s LEU 42 CO 0.22 -0.03 2.16 -0.65 0.23 0.00 0.00 176.35 178.28 1ksl h PRO 43 N 1.54 0.00 -0.05 1.29 0.11 -1.97 -1.72 132.00 131.20 1ksl h PRO 43 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1ksl h PRO 43 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1ksl h PRO 43 CO 0.62 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.56 1ksl n GLU 44 N -4.13 1.41 -3.31 1.05 0.28 -1.26 -4.89 120.64 109.78 1ksl n GLU 44 Ca -0.01 -0.61 -0.38 0.00 -0.16 0.00 0.00 57.16 56.01 1ksl n GLU 44 Cb 0.19 -1.42 -0.06 0.00 1.43 0.00 0.00 31.44 31.58 1ksl n GLU 44 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 1ksl s HIS 45 N -1.94 3.74 -0.42 -1.84 3.76 -0.65 -5.03 115.29 112.92 1ksl s HIS 45 Ca 0.36 1.19 -0.09 0.00 -0.15 0.00 0.00 55.06 56.37 1ksl s HIS 45 Cb 0.18 -2.45 0.08 0.00 1.11 0.00 0.00 32.58 31.51 1ksl s HIS 45 CO 0.30 0.55 0.26 -0.51 -0.85 0.00 0.00 174.74 174.48 1ksl s ASP 46 N -1.28 5.64 0.15 1.40 1.01 -1.26 -4.85 116.67 117.47 1ksl s ASP 46 Ca 0.31 -1.51 -0.17 0.00 0.71 0.00 0.00 52.55 51.89 1ksl s ASP 46 Cb -0.18 -1.99 -0.07 0.00 1.01 0.00 0.00 42.92 41.69 1ksl s ASP 46 CO 0.19 -0.54 0.60 -0.69 0.21 0.00 0.00 175.17 174.93 1ksl s VAL 47 N 1.42 4.76 0.01 -1.27 1.01 -1.26 -0.53 120.40 124.54 1ksl s VAL 47 Ca 0.03 1.01 -0.00 0.00 0.00 0.00 0.00 61.98 63.02 1ksl s VAL 47 Cb -0.23 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 1ksl s VAL 47 CO 0.02 0.29 -0.01 0.00 0.00 0.00 0.00 175.10 175.40 1ksl s ALA 48 N -1.41 0.04 -0.25 5.51 0.00 -0.23 -0.60 121.76 124.80 1ksl s ALA 48 Ca 0.37 -0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.18 1ksl s ALA 48 Cb -0.16 0.05 0.06 0.00 0.00 0.00 0.00 23.12 23.06 1ksl s ALA 48 CO 0.20 -0.05 -0.11 -0.47 0.00 0.00 0.00 175.76 175.32 1ksl s TYR 49 N -0.45 3.20 -1.40 0.00 5.04 0.18 -1.09 117.35 122.82 1ksl s TYR 49 Ca -0.05 -2.26 -0.06 0.00 -2.44 0.00 0.00 57.07 52.26 1ksl s TYR 49 Cb -0.03 -1.91 0.01 0.00 0.35 0.00 0.00 41.96 40.37 1ksl s TYR 49 CO -0.00 -0.87 0.73 -0.25 -1.34 0.00 0.00 175.55 173.82 1ksl n ASP 50 N 4.45 -5.93 0.00 4.32 8.00 0.17 -1.96 116.55 125.60 1ksl n ASP 50 Ca -0.14 -0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.02 1ksl n ASP 50 Cb 0.43 -4.69 0.00 0.00 -0.02 0.00 0.00 41.12 36.83 1ksl n ASP 50 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ksl n GLY 51 N -1.61 2.92 3.73 0.44 0.00 -1.26 -5.02 105.19 104.38 1ksl n GLY 51 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 1ksl n GLY 51 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ksl s ASN 52 N -1.37 6.78 0.50 1.61 0.01 -0.83 -5.03 114.94 116.62 1ksl s ASN 52 Ca 0.00 0.94 -0.22 0.00 -0.71 0.00 0.00 52.86 52.87 1ksl s ASN 52 Cb 0.00 -2.32 -0.06 0.00 0.41 0.00 0.00 41.25 39.27 1ksl s ASN 52 CO 0.00 -0.02 1.21 -2.84 -1.51 0.00 0.00 177.10 173.94 1ksl s PRO 53 N 0.59 3.52 -0.52 -0.60 0.02 -1.26 0.49 135.00 137.25 1ksl s PRO 53 Ca 0.29 1.87 0.05 0.00 0.02 0.00 0.00 61.00 63.23 1ksl s PRO 53 Cb -0.16 -2.30 0.18 0.00 0.02 0.00 0.00 34.50 32.24 1ksl s PRO 53 CO 0.13 -0.77 0.42 1.28 -0.33 0.00 0.00 177.00 177.73 1ksl n LEU 54 N -0.76 0.88 -4.57 -5.54 4.77 0.23 -4.82 117.00 107.19 1ksl n LEU 54 Ca 0.09 -4.71 -0.39 0.00 -0.03 0.00 0.00 56.01 50.96 1ksl n LEU 54 Cb 0.48 0.08 0.03 0.00 -2.33 0.00 0.00 43.42 41.67 1ksl n LEU 54 CO 0.48 1.85 0.42 0.00 -1.33 0.00 0.00 177.39 178.81 1ksl n ALA 55 N 2.37 -0.21 -2.28 -1.18 0.00 -1.26 -4.44 120.51 113.52 1ksl n ALA 55 Ca 0.26 0.09 -0.31 0.00 0.00 0.00 0.00 53.44 53.48 1ksl n ALA 55 Cb 0.44 -2.02 -0.04 0.00 0.00 0.00 0.00 19.45 17.83 1ksl n ALA 55 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ksl s GLN 56 N -2.27 3.80 -0.21 0.00 -0.21 -1.26 -5.07 119.66 114.44 1ksl s GLN 56 Ca 0.69 0.39 -0.03 0.00 0.02 0.00 0.00 55.36 56.43 1ksl s GLN 56 Cb -0.48 -2.49 -0.01 0.00 1.00 0.00 0.00 33.01 31.03 1ksl s GLN 56 CO 0.53 0.11 -0.06 -0.65 -2.12 0.00 0.00 175.29 173.09 1ksl s GLN 57 N -3.44 3.35 0.18 2.91 -0.21 -1.26 -5.07 119.66 116.12 1ksl s GLN 57 Ca 0.50 -0.65 -0.33 0.00 0.02 0.00 0.00 55.36 54.90 1ksl s GLN 57 Cb -0.10 -2.94 -0.14 0.00 1.00 0.00 0.00 33.01 30.83 1ksl s GLN 57 CO 0.26 -0.16 1.56 0.72 -2.12 0.00 0.00 175.29 175.56 1ksl n HIS 58 N 4.67 2.32 -1.02 0.91 8.25 -1.26 -4.92 115.22 124.17 1ksl n HIS 58 Ca -0.18 0.27 -0.31 0.00 -0.26 0.00 0.00 57.72 57.24 1ksl n HIS 58 Cb 0.51 -2.54 0.13 0.00 1.12 0.00 0.00 29.99 29.21 1ksl n HIS 58 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1ksl s GLY 59 N 0.82 1.67 0.57 -1.41 0.00 -1.26 -4.98 107.32 102.73 1ksl s GLY 59 Ca 0.76 0.34 -0.17 0.00 0.00 0.00 0.00 44.72 45.65 1ksl s GLY 59 CO 0.40 0.74 1.08 2.56 0.00 0.00 0.00 173.10 177.88 1ksl s PRO 60 N -4.80 3.33 -0.03 2.90 0.04 -1.26 -5.05 135.00 130.13 1ksl s PRO 60 Ca 0.64 1.36 0.07 0.00 0.04 0.00 0.00 61.00 63.10 1ksl s PRO 60 Cb -0.20 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 1ksl s PRO 60 CO 0.57 -0.82 -0.23 1.03 0.04 0.00 0.00 177.00 177.60 1ksl s ARG 61 N -3.74 2.25 -0.04 4.56 0.52 -1.26 -5.03 118.95 116.21 1ksl s ARG 61 Ca 0.67 -0.86 0.00 0.00 -0.52 0.00 0.00 55.73 55.02 1ksl s ARG 61 Cb -0.18 -2.15 0.02 0.00 0.52 0.00 0.00 34.95 33.16 1ksl s ARG 61 CO 0.32 0.57 -0.02 0.71 0.02 0.00 0.00 175.30 176.89 1ksl s TYR 62 N -0.61 0.59 0.00 -0.53 1.51 -1.26 -2.85 117.35 114.19 1ksl s TYR 62 Ca 0.10 -0.13 0.00 0.00 -1.01 0.00 0.00 57.07 56.03 1ksl s TYR 62 Cb -0.10 -0.60 0.00 0.00 -0.11 0.00 0.00 41.96 41.15 1ksl s TYR 62 CO -0.00 -0.19 0.00 1.19 -1.11 0.00 0.00 175.55 175.44 1ksl n PHE 63 N 4.23 0.00 0.00 2.71 3.01 -1.26 -0.66 117.46 125.49 1ksl n PHE 63 Ca -0.23 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.23 1ksl n PHE 63 Cb 0.51 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.98 1ksl n PHE 63 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 1ksl n LEU 65 N 0.00 0.00 -4.38 4.37 7.94 -0.60 -4.36 117.00 119.96 1ksl n LEU 65 Ca 0.00 0.00 -0.45 0.00 -1.11 0.00 0.00 56.01 54.45 1ksl n LEU 65 Cb 0.00 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.91 1ksl n LEU 65 CO 0.00 0.00 0.46 0.21 -1.11 0.00 0.00 177.39 176.95 1ksl s ASN 66 N 0.00 6.22 0.07 1.96 2.47 -0.53 -1.86 114.94 123.27 1ksl s ASN 66 Ca 0.00 -1.47 -0.31 0.00 0.42 0.00 0.00 52.86 51.50 1ksl s ASN 66 Cb 0.00 -2.31 -0.07 0.00 -1.45 0.00 0.00 41.25 37.42 1ksl s ASN 66 CO 0.00 -1.12 1.38 -0.75 -3.72 0.00 0.00 177.10 172.89 1ksl s LYS 67 N 2.72 4.32 0.48 0.43 2.36 0.14 -0.23 119.74 129.94 1ksl s LYS 67 Ca 0.13 2.01 0.04 0.00 -2.55 0.00 0.00 55.97 55.60 1ksl s LYS 67 Cb -0.22 -3.39 0.02 0.00 -1.05 0.00 0.00 37.83 33.19 1ksl s LYS 67 CO 0.05 -0.48 0.67 -1.25 1.55 0.00 0.00 175.35 175.90 1ksl s PRO 68 N 1.62 2.73 0.66 4.03 0.04 -1.26 -1.43 135.00 141.39 1ksl s PRO 68 Ca 0.64 -0.94 -0.13 0.00 0.04 0.00 0.00 61.00 60.61 1ksl s PRO 68 Cb -0.34 -2.62 -0.01 0.00 0.04 0.00 0.00 34.50 31.58 1ksl s PRO 68 CO 0.29 -0.46 1.06 -0.65 0.04 0.00 0.00 177.00 177.28 1ksl s GLN 69 N -4.55 3.05 0.00 4.56 -0.21 -1.26 -3.98 119.66 117.27 1ksl s GLN 69 Ca 0.55 1.06 0.00 0.00 0.02 0.00 0.00 55.36 56.99 1ksl s GLN 69 Cb -0.10 -2.00 0.00 0.00 1.00 0.00 0.00 33.01 31.91 1ksl s GLN 69 CO 0.36 -1.02 0.00 0.41 -2.12 0.00 0.00 175.29 172.92 1ksl n GLY 70 N -1.56 1.07 3.28 3.09 0.00 -0.69 -4.99 105.19 105.38 1ksl n GLY 70 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 1ksl n GLY 70 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ksl s TYR 71 N -2.67 1.75 0.26 1.61 1.51 -1.24 -4.49 117.35 114.08 1ksl s TYR 71 Ca 0.00 -0.42 0.08 0.00 -1.01 0.00 0.00 57.07 55.73 1ksl s TYR 71 Cb 0.00 -0.96 -0.04 0.00 -0.11 0.00 0.00 41.96 40.85 1ksl s TYR 71 CO 0.00 0.19 0.08 0.14 -1.11 0.00 0.00 175.55 174.85 1ksl s VAL 72 N -1.16 3.86 -0.30 0.71 -7.23 -0.87 -4.15 120.40 111.27 1ksl s VAL 72 Ca 0.06 -1.70 0.12 0.00 -1.81 0.00 0.00 61.98 58.65 1ksl s VAL 72 Cb -0.10 -3.07 0.77 0.00 0.56 0.00 0.00 36.38 34.54 1ksl s VAL 72 CO 0.04 -0.36 1.71 0.00 -0.31 0.00 0.00 175.10 176.18 1ksl s SER 74 N -0.79 -0.20 -0.11 0.00 1.04 -1.26 -4.52 113.70 107.87 1ksl s SER 74 Ca 0.52 -0.42 0.16 0.00 0.48 0.00 0.00 55.95 56.69 1ksl s SER 74 Cb 0.40 0.52 0.66 0.00 0.10 0.00 0.00 66.02 67.71 1ksl s SER 74 CO 0.15 -0.96 1.56 0.35 0.98 0.00 0.00 173.24 175.31 1ksl n THR 75 N -0.46 1.69 0.06 2.02 -2.24 -1.26 -4.44 114.28 109.64 1ksl n THR 75 Ca -0.06 -1.07 -0.11 0.00 -2.27 0.00 0.00 64.05 60.54 1ksl n THR 75 Cb 0.60 0.07 -0.05 0.00 -2.10 0.00 0.00 70.33 68.85 1ksl n THR 75 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1ksl h ASP 76 N 3.74 -0.32 -3.62 3.42 5.19 -1.99 -3.39 116.42 119.46 1ksl h ASP 76 Ca 0.00 0.05 -0.62 0.00 -0.62 0.00 0.00 57.03 55.84 1ksl h ASP 76 Cb 1.36 0.13 -0.13 0.00 0.18 0.00 0.00 39.33 40.87 1ksl h ASP 76 CO 0.22 -0.16 -0.16 -0.62 -3.12 0.00 0.00 179.24 175.41 1ksl s ASP 77 N -5.03 6.35 0.00 6.45 -1.08 -1.26 -4.97 116.67 117.13 1ksl s ASP 77 Ca -0.14 0.42 0.28 0.00 -0.52 0.00 0.00 52.55 52.58 1ksl s ASP 77 Cb 0.08 -2.24 1.23 0.00 -1.46 0.00 0.00 42.92 40.53 1ksl s ASP 77 CO 0.66 -0.19 1.84 -0.81 0.52 0.00 0.00 175.17 177.19 1ksl n PRO 78 N 5.21 1.49 0.00 4.34 -0.05 -1.26 -4.02 135.00 140.71 1ksl n PRO 78 Ca -0.07 -0.71 0.13 0.00 -0.05 0.00 0.00 63.50 62.80 1ksl n PRO 78 Cb 0.50 -1.47 0.41 0.00 -0.05 0.00 0.00 33.50 32.89 1ksl n PRO 78 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 1ksl n ASP 79 N -0.12 0.63 -4.08 3.54 8.00 -1.26 -4.90 116.55 118.35 1ksl n ASP 79 Ca 0.20 -0.47 -0.17 0.00 0.71 0.00 0.00 54.79 55.06 1ksl n ASP 79 Cb 0.28 0.07 -0.13 0.00 -0.02 0.00 0.00 41.12 41.33 1ksl n ASP 79 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1ksl s HIS 80 N -2.71 0.90 0.40 1.24 3.76 -1.26 -5.14 115.29 112.48 1ksl s HIS 80 Ca 0.20 -0.35 -0.25 0.00 -0.15 0.00 0.00 55.06 54.51 1ksl s HIS 80 Cb 0.19 -0.54 -0.09 0.00 1.11 0.00 0.00 32.58 33.25 1ksl s HIS 80 CO 0.57 -0.01 1.11 -1.25 -0.85 0.00 0.00 174.74 174.31 1ksl s PRO 81 N -1.09 4.12 0.56 8.40 0.04 -1.26 -4.78 135.00 140.98 1ksl s PRO 81 Ca -0.02 1.69 -0.05 0.00 0.04 0.00 0.00 61.00 62.65 1ksl s PRO 81 Cb -0.07 -2.63 -0.00 0.00 0.04 0.00 0.00 34.50 31.83 1ksl s PRO 81 CO 0.01 -0.22 0.86 0.95 0.04 0.00 0.00 177.00 178.63 1ksl s THR 82 N -1.51 3.91 -0.48 1.26 -4.23 -1.26 -2.04 115.64 111.29 1ksl s THR 82 Ca 0.57 -0.01 0.14 0.00 -1.18 0.00 0.00 61.69 61.21 1ksl s THR 82 Cb -0.27 -3.53 0.14 0.00 1.34 0.00 0.00 72.50 70.18 1ksl s THR 82 CO 0.33 -0.52 1.43 1.33 -0.54 0.00 0.00 174.62 176.65 1ksl n VAL 83 N -2.47 1.38 0.30 2.29 0.24 -0.69 -1.68 118.33 117.69 1ksl n VAL 83 Ca 0.03 0.66 0.18 0.00 -2.04 0.00 0.00 64.34 63.17 1ksl n VAL 83 Cb 0.57 -1.66 0.90 0.00 -1.47 0.00 0.00 33.84 32.19 1ksl n VAL 83 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1ksl h LEU 84 N 0.00 0.00 -1.48 1.34 3.38 -1.93 -1.56 115.31 115.06 1ksl h LEU 84 Ca 0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 1ksl h LEU 84 Cb 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1ksl h LEU 84 CO 0.00 0.00 0.48 0.22 0.09 0.00 0.00 178.44 179.23 1ksl h TYR 85 N 0.00 0.61 0.00 1.13 3.20 -1.72 -1.45 116.97 118.75 1ksl h TYR 85 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1ksl h TYR 85 Cb 0.15 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.23 1ksl h TYR 85 CO 0.00 0.27 -0.25 0.74 -1.64 0.00 0.00 178.16 177.28 1ksl h PHE 86 N 0.56 0.00 -3.33 -3.82 -1.00 -1.53 -3.45 116.94 104.37 1ksl h PHE 86 Ca 0.34 0.00 -0.57 0.00 2.81 0.00 0.00 57.97 60.56 1ksl h PHE 86 Cb 0.57 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 40.07 1ksl h PHE 86 CO -0.00 0.00 -0.01 -0.51 -1.61 0.00 0.00 178.31 176.18 1ksl s LEU 87 N -5.40 4.36 -0.67 1.54 1.43 -0.55 -4.92 118.68 114.47 1ksl s LEU 87 Ca 0.07 1.11 0.05 0.00 -1.03 0.00 0.00 54.13 54.32 1ksl s LEU 87 Cb 0.09 -2.93 0.20 0.00 0.03 0.00 0.00 46.19 43.58 1ksl s LEU 87 CO 0.68 0.02 0.60 -0.67 0.23 0.00 0.00 176.35 177.21 1ksl n ASP 88 N 3.20 3.23 -4.02 2.29 2.03 -1.26 -4.98 116.55 117.04 1ksl n ASP 88 Ca -0.05 -3.29 -0.13 0.00 0.52 0.00 0.00 54.79 51.84 1ksl n ASP 88 Cb 0.51 -0.72 -0.12 0.00 -0.72 0.00 0.00 41.12 40.07 1ksl n ASP 88 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1ksl s GLU 89 N -1.86 0.45 0.49 -0.67 0.41 -1.26 -5.13 118.70 111.13 1ksl s GLU 89 Ca 0.31 -0.58 -0.23 0.00 -0.41 0.00 0.00 54.97 54.06 1ksl s GLU 89 Cb 0.04 -0.25 -0.07 0.00 -1.78 0.00 0.00 34.13 32.08 1ksl s GLU 89 CO -0.10 0.05 1.33 -1.25 -0.49 0.00 0.00 175.26 174.79 1ksl s PRO 90 N -1.19 3.49 -1.41 0.39 0.04 -1.26 -2.95 135.00 132.11 1ksl s PRO 90 Ca -0.08 2.18 -0.15 0.00 0.04 0.00 0.00 61.00 62.99 1ksl s PRO 90 Cb -0.08 -2.45 0.02 0.00 0.04 0.00 0.00 34.50 32.04 1ksl s PRO 90 CO 0.00 -0.89 0.28 1.33 0.04 0.00 0.00 177.00 177.76 1ksl n VAL 91 N -0.57 -1.66 0.24 -0.36 0.24 -1.26 -4.82 118.33 110.14 1ksl n VAL 91 Ca 0.08 -0.54 0.10 0.00 -2.04 0.00 0.00 64.34 61.94 1ksl n VAL 91 Cb 0.45 -1.50 0.59 0.00 -1.47 0.00 0.00 33.84 31.91 1ksl n VAL 91 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ksl h ALA 92 N 1.16 1.19 0.00 2.33 0.00 -1.94 -2.69 119.26 119.31 1ksl h ALA 92 Ca -0.68 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1ksl h ALA 92 Cb 1.40 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1ksl h ALA 92 CO 0.63 0.24 0.00 -2.67 0.00 0.00 0.00 179.25 177.45 1ksl n TRP 93 N -3.60 0.59 1.32 0.00 4.27 -1.26 -0.91 117.44 117.85 1ksl n TRP 93 Ca -0.01 0.29 0.14 0.00 -3.89 0.00 0.00 57.50 54.03 1ksl n TRP 93 Cb 0.33 -0.97 0.61 0.00 -1.36 0.00 0.00 31.31 29.92 1ksl n TRP 93 CO 0.00 0.00 0.00 1.63 -2.29 0.00 0.00 177.69 177.03 1ksl n LYS 94 N -2.09 0.49 -3.39 -2.67 5.02 -1.01 -4.85 118.16 109.65 1ksl n LYS 94 Ca -0.00 -0.14 -0.33 0.00 -2.02 0.00 0.00 58.31 55.82 1ksl n LYS 94 Cb 0.06 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.52 1ksl n LYS 94 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ksl s LEU 95 N -2.61 4.23 0.07 -0.35 1.43 -0.09 -4.57 118.68 116.80 1ksl s LEU 95 Ca 0.25 0.98 -0.00 0.00 -1.03 0.00 0.00 54.13 54.34 1ksl s LEU 95 Cb 0.20 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.85 1ksl s LEU 95 CO 0.50 -0.01 -0.04 -1.38 0.23 0.00 0.00 176.35 175.65 1ksl s HIS 96 N -1.69 0.67 -0.22 0.29 -3.43 -0.08 -4.90 115.29 105.93 1ksl s HIS 96 Ca 0.44 -1.03 -0.24 0.00 -0.80 0.00 0.00 55.06 53.43 1ksl s HIS 96 Cb -0.13 -0.44 -0.01 0.00 -1.43 0.00 0.00 32.58 30.57 1ksl s HIS 96 CO 0.20 -0.31 0.79 0.00 -2.00 0.00 0.00 174.74 173.43 1ksl s ALA 97 N -3.82 3.61 -1.32 -1.38 0.00 -1.26 -1.17 121.76 116.42 1ksl s ALA 97 Ca 0.10 -0.14 -0.14 0.00 0.00 0.00 0.00 51.96 51.78 1ksl s ALA 97 Cb 0.07 -3.22 0.11 0.00 0.00 0.00 0.00 23.12 20.08 1ksl s ALA 97 CO -0.07 -0.82 1.82 0.00 0.00 0.00 0.00 175.76 176.69 1ksl n ALA 98 N 5.72 4.53 0.00 0.00 0.00 0.17 -4.26 120.51 126.67 1ksl n ALA 98 Ca 0.04 -4.05 0.00 0.00 0.00 0.00 0.00 53.44 49.43 1ksl n ALA 98 Cb 0.48 -3.32 0.00 0.00 0.00 0.00 0.00 19.45 16.61 1ksl n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ksl n GLY 99 N 4.19 1.72 3.84 0.00 0.00 -1.26 -4.47 105.19 109.21 1ksl n GLY 99 Ca 0.45 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 1ksl n GLY 99 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ksl s ARG 100 N -0.58 4.00 0.01 1.61 0.52 -1.26 -4.59 118.95 118.66 1ksl s ARG 100 Ca 0.00 0.98 0.06 0.00 -0.52 0.00 0.00 55.73 56.26 1ksl s ARG 100 Cb 0.00 -2.14 -0.02 0.00 0.52 0.00 0.00 34.95 33.31 1ksl s ARG 100 CO 0.00 -0.23 -0.19 -0.51 0.02 0.00 0.00 175.30 174.39 1ksl s LEU 101 N -3.90 2.09 0.99 2.53 1.43 -1.26 -5.09 118.68 115.47 1ksl s LEU 101 Ca 0.59 -0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 53.16 1ksl s LEU 101 Cb -0.10 -0.95 0.18 0.00 0.03 0.00 0.00 46.19 45.35 1ksl s LEU 101 CO 0.28 0.19 1.08 -0.62 0.23 0.00 0.00 176.35 177.51 1ksl s ASP 102 N -0.76 2.58 0.21 2.29 2.15 -1.26 -4.03 116.67 117.85 1ksl s ASP 102 Ca 0.07 1.48 -0.14 0.00 0.43 0.00 0.00 52.55 54.38 1ksl s ASP 102 Cb -0.08 -2.15 0.23 0.00 -0.30 0.00 0.00 42.92 40.62 1ksl s ASP 102 CO 0.00 -3.20 1.61 -0.29 -0.17 0.00 0.00 175.17 173.13 1ksl h ILE 103 N -1.93 0.29 -0.72 4.11 2.10 -1.96 -2.09 117.51 117.31 1ksl h ILE 103 Ca -0.53 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.41 1ksl h ILE 103 Cb 1.31 0.29 0.00 0.00 -1.09 0.00 0.00 36.82 37.33 1ksl h ILE 103 CO 0.53 0.00 0.00 0.47 -1.08 0.00 0.00 178.15 178.07 1ksl n ASP 104 N -5.45 4.00 -4.78 2.19 8.00 -1.26 -1.71 116.55 117.54 1ksl n ASP 104 Ca 0.08 -2.06 -0.39 0.00 0.71 0.00 0.00 54.79 53.13 1ksl n ASP 104 Cb 0.35 -0.50 -0.06 0.00 -0.02 0.00 0.00 41.12 40.89 1ksl n ASP 104 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ksl s THR 105 N -1.14 4.77 0.47 -3.53 2.01 -0.79 -4.66 115.64 112.77 1ksl s THR 105 Ca 0.49 1.33 0.05 0.00 0.31 0.00 0.00 61.69 63.87 1ksl s THR 105 Cb 0.26 -3.96 -0.02 0.00 0.01 0.00 0.00 72.50 68.78 1ksl s THR 105 CO 0.32 0.47 0.17 0.42 -0.69 0.00 0.00 174.62 175.31 1ksl s THR 106 N -0.60 1.82 0.00 -0.82 -4.23 -0.52 -4.65 115.64 106.64 1ksl s THR 106 Ca 0.32 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 1ksl s THR 106 Cb -0.19 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.06 1ksl s THR 106 CO 0.19 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.88 1ksl n GLY 107 N -1.34 -0.87 3.64 3.99 0.00 -0.51 -0.86 105.19 109.24 1ksl n GLY 107 Ca -0.06 -2.15 -0.47 0.00 0.00 0.00 0.00 46.02 43.34 1ksl n GLY 107 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ksl n LEU 108 N 0.00 3.43 -4.03 0.99 7.94 -0.08 -0.69 117.00 124.57 1ksl n LEU 108 Ca 0.00 0.80 -0.23 0.00 -1.11 0.00 0.00 56.01 55.47 1ksl n LEU 108 Cb 0.00 -1.41 -0.16 0.00 0.53 0.00 0.00 43.42 42.38 1ksl n LEU 108 CO 0.00 -0.16 -0.46 -0.69 -1.11 0.00 0.00 177.39 174.98 1ksl s VAL 109 N 5.07 1.00 0.58 1.96 1.01 -0.78 -4.91 120.40 124.33 1ksl s VAL 109 Ca 0.95 -0.45 0.09 0.00 0.00 0.00 0.00 61.98 62.57 1ksl s VAL 109 Cb -0.61 -0.90 0.08 0.00 0.00 0.00 0.00 36.38 34.95 1ksl s VAL 109 CO 0.48 0.31 0.72 -0.76 0.00 0.00 0.00 175.10 175.84 1ksl s LEU 110 N 0.36 2.95 0.00 3.92 1.43 -1.26 -1.56 118.68 124.52 1ksl s LEU 110 Ca -0.07 -0.99 0.00 0.00 -1.03 0.00 0.00 54.13 52.04 1ksl s LEU 110 Cb -0.12 -1.43 0.00 0.00 0.03 0.00 0.00 46.19 44.67 1ksl s LEU 110 CO 0.02 -1.34 0.00 1.07 0.23 0.00 0.00 176.35 176.33 1ksl n THR 112 N -2.17 0.00 -0.85 5.49 5.66 -0.31 0.41 114.28 122.51 1ksl n THR 112 Ca 0.12 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 61.18 1ksl n THR 112 Cb 0.62 0.00 0.09 0.00 -1.55 0.00 0.00 70.33 69.49 1ksl n THR 112 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1ksl n ASP 113 N 0.00 2.04 -4.30 1.09 5.68 -1.13 -0.90 116.55 119.02 1ksl n ASP 113 Ca 0.00 -2.67 -0.45 0.00 -0.50 0.00 0.00 54.79 51.17 1ksl n ASP 113 Cb 0.00 -0.29 -0.06 0.00 -1.14 0.00 0.00 41.12 39.63 1ksl n ASP 113 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1ksl s ASP 114 N -2.18 6.11 0.26 -1.12 -1.08 -1.26 -4.89 116.67 112.50 1ksl s ASP 114 Ca 0.21 -1.75 -0.03 0.00 -0.52 0.00 0.00 52.55 50.46 1ksl s ASP 114 Cb 0.18 -2.18 0.32 0.00 -1.46 0.00 0.00 42.92 39.78 1ksl s ASP 114 CO 0.02 -0.81 1.77 1.23 0.52 0.00 0.00 175.17 177.90 1ksl h GLY 115 N 8.81 0.92 0.80 2.66 0.00 -1.98 -0.82 103.07 113.46 1ksl h GLY 115 Ca -0.29 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.44 1ksl h GLY 115 CO 0.99 0.55 -0.13 1.46 0.00 0.00 0.00 176.54 179.40 1ksl h GLN 116 N 0.81 -0.36 -0.31 4.80 1.08 -1.99 0.12 115.11 119.26 1ksl h GLN 116 Ca 0.16 0.02 0.05 0.00 -1.45 0.00 0.00 58.65 57.44 1ksl h GLN 116 Cb 0.40 0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 27.87 1ksl h GLN 116 CO 0.01 -0.11 0.02 2.35 -0.95 0.00 0.00 178.83 180.16 1ksl h TRP 117 N -0.58 0.03 -0.14 2.96 7.01 -1.98 -1.26 115.95 121.99 1ksl h TRP 117 Ca -0.04 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.02 1ksl h TRP 117 Cb 0.42 0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.48 1ksl h TRP 117 CO -0.00 -0.03 -0.08 1.03 -2.79 0.00 0.00 178.44 176.57 1ksl h SER 118 N 0.12 -0.25 -0.78 2.65 0.87 -1.01 -2.73 113.55 112.42 1ksl h SER 118 Ca 0.15 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1ksl h SER 118 Cb 0.19 0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.25 1ksl h SER 118 CO -0.23 -0.11 0.47 -0.74 -0.53 0.00 0.00 176.83 175.70 1ksl h HIS 119 N -0.07 1.02 -0.66 2.24 -0.00 -0.29 -0.71 115.15 116.67 1ksl h HIS 119 Ca 0.08 -0.00 0.10 0.00 -0.00 0.00 0.00 60.37 60.54 1ksl h HIS 119 Cb 0.19 -0.34 -0.04 0.00 -0.00 0.00 0.00 27.41 27.22 1ksl h HIS 119 CO -0.21 0.69 0.44 0.00 -0.00 0.00 0.00 177.93 178.84 1ksl h ARG 120 N 1.07 0.51 0.03 5.26 -0.00 -0.95 -0.90 114.38 119.39 1ksl h ARG 120 Ca 0.28 -0.03 -0.08 0.00 -0.50 0.00 0.00 59.98 59.65 1ksl h ARG 120 Cb -0.04 -0.11 0.01 0.00 0.00 0.00 0.00 29.97 29.82 1ksl h ARG 120 CO -0.05 0.34 -0.33 0.82 0.00 0.00 0.00 179.97 180.74 1ksl h ILE 121 N 0.52 1.60 0.00 2.04 2.04 -1.06 -3.40 117.51 119.25 1ksl h ILE 121 Ca 0.30 -2.19 0.00 0.00 1.00 0.00 0.00 64.86 63.97 1ksl h ILE 121 Cb 0.50 3.02 0.00 0.00 -0.74 0.00 0.00 36.82 39.60 1ksl h ILE 121 CO -0.10 0.60 -0.73 0.71 0.00 0.00 0.00 178.15 178.63 1ksl h THR 122 N -0.58 0.00 -1.60 -0.27 1.35 -0.89 -3.45 112.91 107.47 1ksl h THR 122 Ca -0.05 -0.91 -0.69 0.00 -0.55 0.00 0.00 66.41 64.21 1ksl h THR 122 Cb 1.17 1.53 0.06 0.00 -1.73 0.00 0.00 68.15 69.17 1ksl h THR 122 CO 0.06 0.00 0.37 -0.24 -0.25 0.00 0.00 175.52 175.46 1ksl n SER 123 N -2.66 1.35 0.17 5.36 2.88 -0.37 -4.81 113.62 115.53 1ksl n SER 123 Ca 0.01 1.13 0.12 0.00 -1.33 0.00 0.00 58.87 58.80 1ksl n SER 123 Cb 0.53 -1.15 0.61 0.00 -0.75 0.00 0.00 64.21 63.44 1ksl n SER 123 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1ksl h PRO 124 N 4.18 0.00 0.00 -1.46 0.11 -1.93 -1.01 132.00 131.89 1ksl h PRO 124 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ksl h PRO 124 Cb 1.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 1ksl h PRO 124 CO 0.75 0.00 -0.74 0.54 -0.21 0.00 0.00 178.00 178.34 1ksl n ARG 125 N -2.31 0.21 -3.56 1.05 1.74 -1.26 -4.91 116.66 107.62 1ksl n ARG 125 Ca -0.01 0.03 -0.38 0.00 -0.77 0.00 0.00 57.85 56.73 1ksl n ARG 125 Cb 0.07 -1.60 -0.06 0.00 -1.02 0.00 0.00 32.46 29.85 1ksl n ARG 125 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1ksl s HIS 126 N -3.13 3.68 -0.81 -1.55 3.76 -0.38 -5.03 115.29 111.82 1ksl s HIS 126 Ca 0.07 0.88 -0.21 0.00 -0.15 0.00 0.00 55.06 55.64 1ksl s HIS 126 Cb 0.15 -2.24 0.09 0.00 1.11 0.00 0.00 32.58 31.69 1ksl s HIS 126 CO 0.75 0.61 1.09 -1.58 -0.85 0.00 0.00 174.74 174.76 1ksl s HIS 127 N -0.87 2.83 -0.16 1.40 2.46 -1.26 -4.87 115.29 114.83 1ksl s HIS 127 Ca 0.22 -0.92 0.02 0.00 0.47 0.00 0.00 55.06 54.84 1ksl s HIS 127 Cb -0.15 -4.34 0.01 0.00 -0.13 0.00 0.00 32.58 27.97 1ksl s HIS 127 CO 0.11 -1.63 -0.21 0.00 -2.47 0.00 0.00 174.74 170.54 1ksl s GLU 129 N 1.04 4.76 -0.04 0.00 2.02 -1.26 -4.24 118.70 120.98 1ksl s GLU 129 Ca -0.01 1.46 0.02 0.00 0.02 0.00 0.00 54.97 56.46 1ksl s GLU 129 Cb -0.14 -3.34 0.01 0.00 0.10 0.00 0.00 34.13 30.76 1ksl s GLU 129 CO -0.07 0.34 -0.10 0.15 0.02 0.00 0.00 175.26 175.60 1ksl s LYS 130 N -0.48 1.23 -0.11 1.61 3.01 0.18 0.66 119.74 125.83 1ksl s LYS 130 Ca 0.44 -0.32 0.01 0.00 -1.01 0.00 0.00 55.97 55.09 1ksl s LYS 130 Cb -0.24 -1.09 -0.02 0.00 -1.01 0.00 0.00 37.83 35.47 1ksl s LYS 130 CO 0.31 0.06 -0.14 0.99 0.51 0.00 0.00 175.35 177.08 1ksl s THR 131 N 0.46 3.03 0.08 2.17 2.01 -0.90 -1.19 115.64 121.30 1ksl s THR 131 Ca -0.08 -0.69 0.08 0.00 0.31 0.00 0.00 61.69 61.31 1ksl s THR 131 Cb -0.12 -2.24 -0.03 0.00 0.01 0.00 0.00 72.50 70.11 1ksl s THR 131 CO 0.02 0.54 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.96 1ksl s TYR 132 N 0.05 1.92 -0.38 4.92 1.51 0.11 -1.14 117.35 124.35 1ksl s TYR 132 Ca -0.05 -0.40 -0.15 0.00 -1.01 0.00 0.00 57.07 55.46 1ksl s TYR 132 Cb -0.14 -1.09 0.00 0.00 -0.11 0.00 0.00 41.96 40.62 1ksl s TYR 132 CO 0.04 0.18 0.33 -1.17 -1.11 0.00 0.00 175.55 173.83 1ksl s LEU 133 N -1.62 4.77 -0.16 -1.29 2.96 0.19 -0.41 118.68 123.12 1ksl s LEU 133 Ca 0.08 -0.59 -0.04 0.00 -0.22 0.00 0.00 54.13 53.36 1ksl s LEU 133 Cb -0.10 -2.25 -0.03 0.00 0.50 0.00 0.00 46.19 44.31 1ksl s LEU 133 CO 0.03 -0.41 -0.03 -0.69 -1.32 0.00 0.00 176.35 173.93 1ksl s VAL 134 N 1.88 3.95 -0.23 1.68 1.01 0.25 -1.41 120.40 127.53 1ksl s VAL 134 Ca 0.08 -0.34 -0.09 0.00 0.00 0.00 0.00 61.98 61.64 1ksl s VAL 134 Cb -0.18 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 1ksl s VAL 134 CO 0.11 0.49 0.10 -0.89 0.00 0.00 0.00 175.10 174.92 1ksl s THR 135 N 0.36 4.86 0.11 3.92 2.01 0.35 -0.54 115.64 126.70 1ksl s THR 135 Ca -0.04 0.00 0.03 0.00 0.31 0.00 0.00 61.69 61.99 1ksl s THR 135 Cb -0.14 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 1ksl s THR 135 CO 0.03 0.37 0.18 -0.76 -0.69 0.00 0.00 174.62 173.74 1ksl s LEU 136 N 1.07 4.08 0.11 4.42 1.43 0.19 0.32 118.68 130.30 1ksl s LEU 136 Ca 0.05 0.08 -0.17 0.00 -1.03 0.00 0.00 54.13 53.07 1ksl s LEU 136 Cb -0.14 -2.70 -0.05 0.00 0.03 0.00 0.00 46.19 43.34 1ksl s LEU 136 CO 0.04 0.12 1.57 -0.08 0.23 0.00 0.00 176.35 178.22 1ksl h GLU 137 N 2.75 0.57 -5.79 1.70 4.57 -0.94 -3.45 114.58 114.00 1ksl h GLU 137 Ca -0.47 -0.17 -0.49 0.00 -1.18 0.00 0.00 59.36 57.05 1ksl h GLU 137 Cb 1.18 -0.06 -0.18 0.00 -0.16 0.00 0.00 28.75 29.53 1ksl h GLU 137 CO 0.69 0.67 -0.77 -1.12 -1.18 0.00 0.00 179.01 177.30 1ksl s SER 138 N -6.03 2.52 0.18 1.04 0.01 -1.26 -5.02 113.70 105.15 1ksl s SER 138 Ca -0.13 -0.87 -0.33 0.00 1.31 0.00 0.00 55.95 55.93 1ksl s SER 138 Cb 0.09 -0.14 -0.15 0.00 0.21 0.00 0.00 66.02 66.03 1ksl s SER 138 CO 0.77 -0.07 1.27 -2.65 0.41 0.00 0.00 173.24 172.96 1ksl n PRO 139 N 0.28 1.45 -1.68 12.44 -0.02 -1.26 -4.73 135.00 141.48 1ksl n PRO 139 Ca -0.13 0.52 -0.41 0.00 -2.02 0.00 0.00 63.50 61.46 1ksl n PRO 139 Cb 0.57 -2.08 0.02 0.00 -0.02 0.00 0.00 33.50 31.99 1ksl n PRO 139 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1ksl n VAL 140 N 1.80 2.70 -2.28 -1.45 3.14 0.95 -4.96 118.33 118.23 1ksl n VAL 140 Ca 0.14 -0.50 -0.32 0.00 -2.96 0.00 0.00 64.34 60.70 1ksl n VAL 140 Cb 0.26 -1.46 -0.02 0.00 -1.06 0.00 0.00 33.84 31.55 1ksl n VAL 140 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ksl s ALA 141 N -1.24 3.02 -0.41 1.55 0.00 -1.26 -4.96 121.76 118.46 1ksl s ALA 141 Ca 0.63 0.18 0.25 0.00 0.00 0.00 0.00 51.96 53.02 1ksl s ALA 141 Cb -0.51 -3.13 1.03 0.00 0.00 0.00 0.00 23.12 20.51 1ksl s ALA 141 CO 0.56 -0.38 1.75 0.38 0.00 0.00 0.00 175.76 178.08 1ksl h ASP 142 N 0.69 0.00 0.00 0.00 2.03 -2.03 -3.01 116.42 114.10 1ksl h ASP 142 Ca -0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 1ksl h ASP 142 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 1ksl h ASP 142 CO 0.61 0.00 -1.10 -0.90 -1.03 0.00 0.00 179.24 176.82 1ksl n ASP 143 N -2.37 0.82 -0.12 4.15 5.75 -1.26 -4.59 116.55 118.93 1ksl n ASP 143 Ca 0.02 -0.73 -0.04 0.00 -0.01 0.00 0.00 54.79 54.02 1ksl n ASP 143 Cb 0.25 1.19 0.03 0.00 -1.03 0.00 0.00 41.12 41.57 1ksl n ASP 143 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 1ksl h THR 144 N 0.00 0.72 -0.90 2.12 2.02 -1.92 -0.79 112.91 114.15 1ksl h THR 144 Ca 0.00 -0.04 0.14 0.00 0.77 0.00 0.00 66.41 67.28 1ksl h THR 144 Cb 0.54 0.57 -0.09 0.00 -1.74 0.00 0.00 68.15 67.43 1ksl h THR 144 CO 0.00 0.02 0.51 0.00 0.37 0.00 0.00 175.52 176.42 1ksl h ALA 145 N 1.34 1.37 -0.34 6.16 0.00 -1.81 0.14 119.26 126.13 1ksl h ALA 145 Ca 0.20 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 55.03 1ksl h ALA 145 Cb 0.27 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1ksl h ALA 145 CO -0.31 -0.00 -0.35 0.93 0.00 0.00 0.00 179.25 179.51 1ksl h GLU 146 N 0.74 0.83 -0.02 0.00 5.08 -1.73 -1.42 114.58 118.05 1ksl h GLU 146 Ca 0.48 -0.45 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1ksl h GLU 146 Cb 0.63 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1ksl h GLU 146 CO -0.33 1.09 -0.07 1.96 -1.00 0.00 0.00 179.01 180.65 1ksl h GLN 147 N 0.62 -0.11 -0.11 2.33 1.08 0.26 0.11 115.11 119.29 1ksl h GLN 147 Ca 0.05 0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.21 1ksl h GLN 147 Cb 0.94 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.39 1ksl h GLN 147 CO 0.09 -0.07 -0.13 0.74 -0.95 0.00 0.00 178.83 178.50 1ksl h PHE 148 N -0.11 0.18 -0.21 2.96 -1.00 -0.73 0.48 116.94 118.50 1ksl h PHE 148 Ca 0.04 -0.02 -0.05 0.00 2.81 0.00 0.00 57.97 60.75 1ksl h PHE 148 Cb 0.16 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 39.66 1ksl h PHE 148 CO -0.15 0.31 -0.06 0.00 -1.61 0.00 0.00 178.31 176.79 1ksl h ALA 149 N 1.70 0.29 -0.37 2.45 0.00 -0.26 -1.82 119.26 121.25 1ksl h ALA 149 Ca 0.03 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 1ksl h ALA 149 Cb 0.34 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1ksl h ALA 149 CO 0.02 0.08 -0.28 0.87 0.00 0.00 0.00 179.25 179.95 1ksl h LYS 150 N 0.12 0.78 0.00 0.00 1.57 -0.31 -3.38 116.57 115.36 1ksl h LYS 150 Ca 0.05 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1ksl h LYS 150 Cb 0.52 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1ksl h LYS 150 CO 0.02 0.97 0.00 0.41 -0.57 0.00 0.00 179.45 180.28 1ksl n GLY 151 N -0.13 2.80 3.92 3.86 0.00 0.16 -4.64 105.19 111.15 1ksl n GLY 151 Ca -0.01 -1.40 -0.20 0.00 0.00 0.00 0.00 46.02 44.41 1ksl n GLY 151 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ksl s VAL 152 N -0.26 2.64 -0.24 1.61 -7.23 -1.25 -4.66 120.40 111.02 1ksl s VAL 152 Ca 0.00 -1.26 -0.07 0.00 -1.81 0.00 0.00 61.98 58.85 1ksl s VAL 152 Cb 0.00 -2.90 -0.03 0.00 0.56 0.00 0.00 36.38 34.02 1ksl s VAL 152 CO 0.00 0.00 0.05 -1.58 -0.31 0.00 0.00 175.10 173.26 1ksl s GLN 153 N -4.22 3.63 0.47 4.82 0.74 -1.26 0.45 119.66 124.30 1ksl s GLN 153 Ca 0.50 -0.49 -0.20 0.00 0.05 0.00 0.00 55.36 55.21 1ksl s GLN 153 Cb -0.05 -3.25 -0.09 0.00 1.10 0.00 0.00 33.01 30.72 1ksl s GLN 153 CO 0.29 -0.14 1.00 -0.51 -0.55 0.00 0.00 175.29 175.38 1ksl s LEU 154 N 1.45 3.84 -0.37 3.68 1.43 -1.26 -4.87 118.68 122.58 1ksl s LEU 154 Ca 0.05 1.80 -0.32 0.00 -1.03 0.00 0.00 54.13 54.63 1ksl s LEU 154 Cb -0.15 -4.55 -0.10 0.00 0.03 0.00 0.00 46.19 41.42 1ksl s LEU 154 CO 0.02 -0.63 2.25 1.57 0.23 0.00 0.00 176.35 179.80 1ksl n HIS 155 N -0.96 1.59 -2.42 0.29 -0.00 -1.26 -2.55 115.22 109.91 1ksl n HIS 155 Ca 0.08 0.18 -0.04 0.00 -0.00 0.00 0.00 57.72 57.95 1ksl n HIS 155 Cb 0.53 -2.58 0.02 0.00 -0.00 0.00 0.00 29.99 27.96 1ksl n HIS 155 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1ksl n ASN 156 N 10.99 -4.99 -3.77 0.26 4.13 -1.26 -5.08 115.26 115.54 1ksl n ASN 156 Ca 0.40 -0.19 -0.13 0.00 1.68 0.00 0.00 54.58 56.34 1ksl n ASN 156 Cb 0.30 -3.31 -0.13 0.00 -1.54 0.00 0.00 39.78 35.10 1ksl n ASN 156 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 1ksl s GLU 157 N -3.33 0.15 0.01 3.52 -1.05 -1.06 -5.07 118.70 111.87 1ksl s GLU 157 Ca 0.11 0.34 -0.25 0.00 -0.15 0.00 0.00 54.97 55.01 1ksl s GLU 157 Cb -0.01 -0.06 -0.19 0.00 -0.44 0.00 0.00 34.13 33.42 1ksl s GLU 157 CO 0.42 -0.11 1.39 0.87 0.95 0.00 0.00 175.26 178.78 1ksl h LYS 158 N 6.70 -0.02 -5.73 -4.83 1.57 -1.98 -3.44 116.57 108.84 1ksl h LYS 158 Ca -0.36 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 57.77 1ksl h LYS 158 Cb 1.17 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.42 1ksl h LYS 158 CO 0.41 0.34 -0.44 0.16 -0.57 0.00 0.00 179.45 179.35 1ksl s ASP 159 N -5.54 6.44 1.21 0.86 -4.77 -1.26 -5.09 116.67 108.53 1ksl s ASP 159 Ca -0.15 0.51 -0.16 0.00 -3.30 0.00 0.00 52.55 49.45 1ksl s ASP 159 Cb 0.03 -2.08 0.29 0.00 -1.09 0.00 0.00 42.92 40.07 1ksl s ASP 159 CO 0.67 0.36 1.03 -0.76 0.70 0.00 0.00 175.17 177.17 1ksl s LEU 160 N -1.24 0.41 0.34 2.11 2.01 -1.26 -4.73 118.68 116.33 1ksl s LEU 160 Ca 0.19 1.13 -0.19 0.00 0.01 0.00 0.00 54.13 55.27 1ksl s LEU 160 Cb -0.13 -2.93 -0.10 0.00 0.01 0.00 0.00 46.19 43.05 1ksl s LEU 160 CO 0.08 -4.32 0.83 0.42 1.01 0.00 0.00 176.35 174.37 1ksl s THR 161 N -2.59 4.51 0.70 5.49 -4.23 0.17 -4.90 115.64 114.79 1ksl s THR 161 Ca 0.68 1.28 -0.14 0.00 -1.18 0.00 0.00 61.69 62.33 1ksl s THR 161 Cb -0.19 -3.69 0.02 0.00 1.34 0.00 0.00 72.50 69.99 1ksl s THR 161 CO 0.60 -0.14 1.14 -0.54 -0.54 0.00 0.00 174.62 175.15 1ksl s LYS 162 N -2.80 2.46 0.20 3.99 3.01 -1.26 -4.07 119.74 121.28 1ksl s LYS 162 Ca 0.55 1.50 -0.32 0.00 -1.01 0.00 0.00 55.97 56.68 1ksl s LYS 162 Cb -0.12 -1.90 -0.14 0.00 -1.01 0.00 0.00 37.83 34.66 1ksl s LYS 162 CO 0.17 -1.53 1.40 -0.35 0.51 0.00 0.00 175.35 175.55 1ksl n PRO 163 N -2.68 1.87 -4.22 -1.68 -0.04 -1.26 -4.74 135.00 122.24 1ksl n PRO 163 Ca 0.11 0.67 -0.18 0.00 -0.04 0.00 0.00 63.50 64.06 1ksl n PRO 163 Cb 0.51 -2.32 -0.12 0.00 -0.04 0.00 0.00 33.50 31.53 1ksl n PRO 163 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ksl s ALA 164 N 0.16 1.06 -0.17 0.55 0.00 -0.70 -4.69 121.76 117.97 1ksl s ALA 164 Ca 0.72 -0.88 -0.06 0.00 0.00 0.00 0.00 51.96 51.74 1ksl s ALA 164 Cb -0.71 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 1ksl s ALA 164 CO 0.47 0.16 0.03 0.14 0.00 0.00 0.00 175.76 176.56 1ksl s VAL 165 N -1.10 4.47 -0.23 0.00 -7.23 -0.87 -3.53 120.40 111.91 1ksl s VAL 165 Ca -0.02 -0.15 -0.02 0.00 -1.81 0.00 0.00 61.98 59.98 1ksl s VAL 165 Cb -0.09 -2.99 0.01 0.00 0.56 0.00 0.00 36.38 33.87 1ksl s VAL 165 CO 0.02 0.47 -0.07 -0.22 -0.31 0.00 0.00 175.10 174.99 1ksl s LEU 166 N 0.34 2.96 -0.24 1.32 1.98 -1.26 -1.34 118.68 122.44 1ksl s LEU 166 Ca 0.01 -0.66 -0.09 0.00 -2.89 0.00 0.00 54.13 50.50 1ksl s LEU 166 Cb -0.13 -1.67 -0.04 0.00 0.66 0.00 0.00 46.19 45.01 1ksl s LEU 166 CO 0.01 -0.07 0.11 -0.70 -1.89 0.00 0.00 176.35 173.81 1ksl s GLU 167 N 1.38 3.85 -0.23 1.98 2.12 0.63 -4.91 118.70 123.52 1ksl s GLU 167 Ca 0.03 -0.38 -0.25 0.00 0.36 0.00 0.00 54.97 54.72 1ksl s GLU 167 Cb -0.15 -3.41 -0.00 0.00 0.26 0.00 0.00 34.13 30.82 1ksl s GLU 167 CO -0.05 -0.06 0.86 0.08 -0.54 0.00 0.00 175.26 175.55 1ksl s VAL 168 N 1.32 4.82 -0.17 3.70 1.01 -1.26 -0.67 120.40 129.15 1ksl s VAL 168 Ca 0.06 1.65 -0.14 0.00 0.00 0.00 0.00 61.98 63.55 1ksl s VAL 168 Cb -0.15 -4.15 -0.08 0.00 0.00 0.00 0.00 36.38 32.01 1ksl s VAL 168 CO 0.05 -0.07 -0.14 -0.38 0.00 0.00 0.00 175.10 174.56 1ksl n ILE 169 N 5.16 1.47 -4.44 2.22 2.08 -0.48 -4.98 119.36 120.40 1ksl n ILE 169 Ca 0.06 0.10 -0.22 0.00 0.56 0.00 0.00 62.75 63.26 1ksl n ILE 169 Cb 0.48 -2.27 -0.10 0.00 -0.75 0.00 0.00 39.64 37.00 1ksl n ILE 169 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1ksl s THR 170 N -2.41 0.89 0.50 1.39 -4.23 -0.41 -4.98 115.64 106.38 1ksl s THR 170 Ca -0.22 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.47 1ksl s THR 170 Cb 0.04 -2.64 0.26 0.00 1.34 0.00 0.00 72.50 71.50 1ksl s THR 170 CO 0.36 0.00 2.11 1.55 -0.54 0.00 0.00 174.62 178.10 1ksl h PRO 171 N 2.08 0.00 -0.29 3.99 0.13 -1.98 -2.87 132.00 133.07 1ksl h PRO 171 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1ksl h PRO 171 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1ksl h PRO 171 CO 0.64 0.07 0.00 0.25 -0.23 0.00 0.00 178.00 178.73 1ksl n THR 172 N -4.29 0.82 -3.89 1.56 -2.24 -1.26 -0.04 114.28 104.95 1ksl n THR 172 Ca -0.03 -0.91 -0.25 0.00 -2.27 0.00 0.00 64.05 60.60 1ksl n THR 172 Cb 0.15 0.63 -0.17 0.00 -2.10 0.00 0.00 70.33 68.84 1ksl n THR 172 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1ksl s GLN 173 N -0.99 1.08 0.11 -0.78 0.74 -1.08 0.52 119.66 119.26 1ksl s GLN 173 Ca 0.22 -0.09 0.04 0.00 0.05 0.00 0.00 55.36 55.58 1ksl s GLN 173 Cb 0.12 -1.26 -0.04 0.00 1.10 0.00 0.00 33.01 32.93 1ksl s GLN 173 CO 0.16 -0.26 -0.11 0.14 -0.55 0.00 0.00 175.29 174.67 1ksl s VAL 174 N 1.74 1.05 -0.16 1.34 -7.23 0.29 -1.29 120.40 116.14 1ksl s VAL 174 Ca 0.03 -1.77 -0.04 0.00 -1.81 0.00 0.00 61.98 58.39 1ksl s VAL 174 Cb -0.13 -1.52 -0.03 0.00 0.56 0.00 0.00 36.38 35.26 1ksl s VAL 174 CO -0.06 -0.60 -0.03 -0.60 -0.31 0.00 0.00 175.10 173.51 1ksl s ARG 175 N -3.06 3.68 -0.07 4.82 3.52 0.16 0.86 118.95 128.85 1ksl s ARG 175 Ca 0.09 -0.51 0.02 0.00 -0.13 0.00 0.00 55.73 55.20 1ksl s ARG 175 Cb -0.01 -2.95 0.01 0.00 -1.56 0.00 0.00 34.95 30.43 1ksl s ARG 175 CO 0.00 0.21 -0.14 -1.17 -0.81 0.00 0.00 175.30 173.40 1ksl s LEU 176 N 0.46 1.70 -0.15 -0.88 2.96 0.45 -0.27 118.68 122.96 1ksl s LEU 176 Ca -0.03 -0.33 -0.00 0.00 -0.22 0.00 0.00 54.13 53.55 1ksl s LEU 176 Cb -0.14 -0.89 -0.01 0.00 0.50 0.00 0.00 46.19 45.65 1ksl s LEU 176 CO 0.03 0.05 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.08 1ksl s THR 177 N 0.61 2.85 0.24 3.68 2.01 -0.45 0.10 115.64 124.68 1ksl s THR 177 Ca -0.15 -0.71 0.05 0.00 0.31 0.00 0.00 61.69 61.19 1ksl s THR 177 Cb -0.16 -2.21 -0.05 0.00 0.01 0.00 0.00 72.50 70.09 1ksl s THR 177 CO 0.04 0.51 -0.04 0.27 -0.69 0.00 0.00 174.62 174.72 1ksl s ILE 178 N 0.67 1.33 -0.03 1.82 -4.36 -0.33 -2.05 121.20 118.24 1ksl s ILE 178 Ca -0.07 -2.08 0.04 0.00 -0.26 0.00 0.00 60.65 58.28 1ksl s ILE 178 Cb -0.16 -2.34 0.07 0.00 1.25 0.00 0.00 42.46 41.28 1ksl s ILE 178 CO 0.02 -0.36 0.97 -1.54 0.24 0.00 0.00 174.94 174.28 1ksl n SER 179 N -0.47 1.74 -2.70 4.36 3.41 -1.26 -0.65 113.62 118.05 1ksl n SER 179 Ca -0.06 -2.13 -0.06 0.00 -0.26 0.00 0.00 58.87 56.36 1ksl n SER 179 Cb 0.63 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1ksl n SER 179 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ksl n GLU 180 N -0.63 1.23 -0.79 4.33 1.02 -1.26 -3.31 120.64 121.23 1ksl n GLU 180 Ca 0.04 -0.83 -0.00 0.00 -0.02 0.00 0.00 57.16 56.34 1ksl n GLU 180 Cb 0.39 0.07 -0.00 0.00 -0.02 0.00 0.00 31.44 31.88 1ksl n GLU 180 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ksl n GLY 181 N 3.36 0.73 3.57 0.62 0.00 -1.26 -4.90 105.19 107.31 1ksl n GLY 181 Ca 0.00 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 1ksl n GLY 181 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ksl n ARG 182 N 0.11 0.25 -1.75 1.61 1.74 -1.26 -4.87 116.66 112.49 1ksl n ARG 182 Ca -0.02 0.14 -0.42 0.00 -0.77 0.00 0.00 57.85 56.78 1ksl n ARG 182 Cb 0.75 -2.14 -0.03 0.00 -1.02 0.00 0.00 32.46 30.03 1ksl n ARG 182 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1ksl s TYR 183 N -2.01 1.77 -1.63 -1.55 5.04 -1.26 -2.47 117.35 115.24 1ksl s TYR 183 Ca 0.69 -0.16 -0.15 0.00 -2.44 0.00 0.00 57.07 55.01 1ksl s TYR 183 Cb -0.31 -4.16 0.12 0.00 0.35 0.00 0.00 41.96 37.97 1ksl s TYR 183 CO 0.55 -4.96 0.80 0.72 -1.34 0.00 0.00 175.55 171.32 1ksl n HIS 184 N 6.66 -1.87 0.03 4.97 8.25 -1.26 -4.88 115.22 127.12 1ksl n HIS 184 Ca 0.18 0.82 -0.10 0.00 -0.26 0.00 0.00 57.72 58.36 1ksl n HIS 184 Cb 0.40 -3.28 -0.05 0.00 1.12 0.00 0.00 29.99 28.19 1ksl n HIS 184 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1ksl h GLN 185 N -1.68 -0.12 -0.37 -0.41 4.15 -1.84 -1.93 115.11 112.91 1ksl h GLN 185 Ca -0.59 0.01 0.01 0.00 0.77 0.00 0.00 58.65 58.84 1ksl h GLN 185 Cb 1.38 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 29.08 1ksl h GLN 185 CO 0.74 -0.08 0.24 0.28 -1.93 0.00 0.00 178.83 178.08 1ksl h VAL 186 N -0.12 1.08 -0.38 2.39 2.07 -1.89 -2.62 116.25 116.78 1ksl h VAL 186 Ca 0.05 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.35 1ksl h VAL 186 Cb 0.20 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1ksl h VAL 186 CO -0.13 0.09 -0.01 0.11 0.02 0.00 0.00 177.57 177.65 1ksl h LYS 187 N 0.49 0.61 -1.60 1.57 1.57 -1.94 -2.74 116.57 114.53 1ksl h LYS 187 Ca 0.14 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1ksl h LYS 187 Cb -0.05 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.18 1ksl h LYS 187 CO -0.04 0.63 0.00 0.54 -0.57 0.00 0.00 179.45 180.02 1ksl n ARG 188 N -4.25 0.83 0.00 3.15 1.74 -0.73 -1.99 116.66 115.40 1ksl n ARG 188 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1ksl n ARG 188 Cb 0.27 -1.09 0.00 0.00 -1.02 0.00 0.00 32.46 30.62 1ksl n ARG 188 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1ksl n PHE 190 N 1.10 0.00 -0.09 -1.55 3.01 -1.04 -0.72 117.46 118.18 1ksl n PHE 190 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.35 1ksl n PHE 190 Cb 0.41 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.84 1ksl n PHE 190 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ksl h ALA 191 N 0.00 0.35 -0.97 4.37 0.00 -1.46 0.28 119.26 121.83 1ksl h ALA 191 Ca 0.00 -0.21 0.20 0.00 0.00 0.00 0.00 54.91 54.90 1ksl h ALA 191 Cb 0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.61 1ksl h ALA 191 CO 0.00 0.07 0.61 0.00 0.00 0.00 0.00 179.25 179.94 1ksl h ALA 192 N 0.83 1.95 -0.59 0.00 0.00 -1.20 0.84 119.26 121.09 1ksl h ALA 192 Ca 0.07 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ksl h ALA 192 Cb 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ksl h ALA 192 CO 0.01 -0.28 0.00 1.33 0.00 0.00 0.00 179.25 180.31 1ksl n VAL 193 N -4.64 1.53 -0.94 0.00 0.24 -1.10 -4.94 118.33 108.48 1ksl n VAL 193 Ca 0.22 -1.02 0.00 0.00 -2.04 0.00 0.00 64.34 61.50 1ksl n VAL 193 Cb 0.65 0.12 0.00 0.00 -1.47 0.00 0.00 33.84 33.14 1ksl n VAL 193 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ksl n GLY 194 N 1.12 0.70 0.72 7.63 0.00 0.29 -5.02 105.19 110.63 1ksl n GLY 194 Ca 0.23 -0.69 -0.06 0.00 0.00 0.00 0.00 46.02 45.50 1ksl n GLY 194 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ksl n ASN 195 N 1.35 1.65 -3.78 1.61 2.85 0.97 -5.00 115.26 114.91 1ksl n ASN 195 Ca 0.00 -1.45 -0.13 0.00 -0.11 0.00 0.00 54.58 52.89 1ksl n ASN 195 Cb 0.13 0.14 -0.13 0.00 1.24 0.00 0.00 39.78 41.16 1ksl n ASN 195 CO 0.00 0.00 0.00 -2.28 -2.11 0.00 0.00 177.26 172.87 1ksl s HIS 196 N -1.61 -0.20 -0.21 1.20 5.65 -1.26 -3.62 115.29 115.24 1ksl s HIS 196 Ca 0.02 0.50 -0.25 0.00 0.25 0.00 0.00 55.06 55.58 1ksl s HIS 196 Cb 0.00 0.01 -0.01 0.00 -1.18 0.00 0.00 32.58 31.40 1ksl s HIS 196 CO 0.02 -0.14 0.85 0.08 -0.65 0.00 0.00 174.74 174.89 1ksl s VAL 197 N 0.65 4.84 -0.13 0.89 1.01 -1.26 -0.26 120.40 126.14 1ksl s VAL 197 Ca -0.05 1.63 0.07 0.00 0.00 0.00 0.00 61.98 63.63 1ksl s VAL 197 Cb -0.06 -4.14 -0.23 0.00 0.00 0.00 0.00 36.38 31.94 1ksl s VAL 197 CO -0.03 -0.04 0.30 0.52 0.00 0.00 0.00 175.10 175.85 1ksl n VAL 198 N 5.05 1.59 -3.79 2.92 0.31 0.15 -4.90 118.33 119.66 1ksl n VAL 198 Ca 0.06 -0.73 -0.13 0.00 -0.01 0.00 0.00 64.34 63.53 1ksl n VAL 198 Cb 0.48 -1.17 -0.11 0.00 -0.91 0.00 0.00 33.84 32.13 1ksl n VAL 198 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1ksl s GLU 199 N -2.55 0.38 -0.07 5.55 0.41 -1.06 -4.99 118.70 116.38 1ksl s GLU 199 Ca -0.16 0.22 0.01 0.00 -0.41 0.00 0.00 54.97 54.63 1ksl s GLU 199 Cb 0.07 0.18 0.02 0.00 -1.78 0.00 0.00 34.13 32.62 1ksl s GLU 199 CO 0.77 -0.07 -0.06 -1.17 -0.49 0.00 0.00 175.26 174.25 1ksl s LEU 200 N -0.21 1.23 -0.10 1.80 2.96 -1.26 -0.50 118.68 122.61 1ksl s LEU 200 Ca -0.03 -0.19 -0.01 0.00 -0.22 0.00 0.00 54.13 53.68 1ksl s LEU 200 Cb -0.03 -0.60 0.03 0.00 0.50 0.00 0.00 46.19 46.08 1ksl s LEU 200 CO 0.01 -0.07 -0.05 -2.28 -1.32 0.00 0.00 176.35 172.64 1ksl s HIS 201 N 1.21 1.16 -0.16 5.38 5.65 -0.50 -1.44 115.29 126.59 1ksl s HIS 201 Ca -0.06 -0.51 -0.22 0.00 0.25 0.00 0.00 55.06 54.52 1ksl s HIS 201 Cb -0.14 -1.05 -0.03 0.00 -1.18 0.00 0.00 32.58 30.18 1ksl s HIS 201 CO -0.02 -0.43 0.69 0.50 -0.65 0.00 0.00 174.74 174.83 1ksl s ARG 202 N 1.78 4.29 -0.11 2.88 3.52 -0.04 0.53 118.95 131.78 1ksl s ARG 202 Ca 0.04 0.76 0.18 0.00 -0.13 0.00 0.00 55.73 56.59 1ksl s ARG 202 Cb -0.13 -3.54 -0.27 0.00 -1.56 0.00 0.00 34.95 29.45 1ksl s ARG 202 CO -0.07 -0.18 0.25 0.39 -0.81 0.00 0.00 175.30 174.88 1ksl n GLU 203 N 4.77 0.78 -3.65 5.12 1.02 -0.29 -0.90 120.64 127.49 1ksl n GLU 203 Ca -0.00 -0.09 -0.15 0.00 -0.02 0.00 0.00 57.16 56.89 1ksl n GLU 203 Cb 0.50 -1.48 -0.07 0.00 -0.02 0.00 0.00 31.44 30.36 1ksl n GLU 203 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1ksl s ARG 204 N -2.91 0.86 -0.19 3.49 3.52 -1.18 -0.48 118.95 122.06 1ksl s ARG 204 Ca -0.08 -0.05 -0.03 0.00 -0.13 0.00 0.00 55.73 55.44 1ksl s ARG 204 Cb 0.09 0.39 0.06 0.00 -1.56 0.00 0.00 34.95 33.94 1ksl s ARG 204 CO 0.80 -0.26 0.05 0.42 -0.81 0.00 0.00 175.30 175.51 1ksl s ILE 205 N -1.46 0.36 0.00 4.11 1.01 0.17 -2.12 121.20 123.27 1ksl s ILE 205 Ca -0.11 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.05 1ksl s ILE 205 Cb -0.03 -0.93 0.00 0.00 0.01 0.00 0.00 42.46 41.51 1ksl s ILE 205 CO 0.05 -0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.35 1ksl n GLY 206 N 5.11 3.84 0.45 6.18 0.00 0.21 -1.01 105.19 119.97 1ksl n GLY 206 Ca -0.08 0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.08 1ksl n GLY 206 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ksl n GLY 207 N 0.00 0.06 3.42 -0.02 0.00 -1.10 -4.83 105.19 102.72 1ksl n GLY 207 Ca 0.00 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 1ksl n GLY 207 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ksl s ILE 208 N -1.82 4.11 -0.10 -0.61 1.01 -0.18 -4.87 121.20 118.73 1ksl s ILE 208 Ca 0.31 -0.24 -0.02 0.00 0.00 0.00 0.00 60.65 60.69 1ksl s ILE 208 Cb 0.16 -2.91 -0.03 0.00 0.01 0.00 0.00 42.46 39.69 1ksl s ILE 208 CO 0.25 0.36 -0.02 -0.89 0.00 0.00 0.00 174.94 174.64 1ksl s THR 209 N 1.55 4.11 0.19 2.92 2.01 -1.26 -0.66 115.64 124.50 1ksl s THR 209 Ca 0.06 -0.31 -0.31 0.00 0.31 0.00 0.00 61.69 61.44 1ksl s THR 209 Cb -0.15 -2.74 -0.11 0.00 0.01 0.00 0.00 72.50 69.51 1ksl s THR 209 CO 0.02 0.57 1.59 -0.22 -0.69 0.00 0.00 174.62 175.89 1ksl s LEU 210 N -0.50 4.37 0.42 4.42 2.96 0.37 -4.94 118.68 125.79 1ksl s LEU 210 Ca 0.08 2.70 -0.25 0.00 -0.22 0.00 0.00 54.13 56.44 1ksl s LEU 210 Cb -0.12 -3.60 -0.10 0.00 0.50 0.00 0.00 46.19 42.87 1ksl s LEU 210 CO 0.02 -0.85 1.29 0.47 -1.32 0.00 0.00 176.35 175.96 1ksl n ASP 211 N 3.68 2.63 0.24 3.68 8.00 -1.26 -4.87 116.55 128.65 1ksl n ASP 211 Ca 0.13 1.11 0.12 0.00 0.71 0.00 0.00 54.79 56.86 1ksl n ASP 211 Cb 0.38 -1.51 0.53 0.00 -0.02 0.00 0.00 41.12 40.50 1ksl n ASP 211 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ksl h ALA 212 N 2.11 1.03 -0.30 2.24 0.00 -2.00 -3.17 119.26 119.17 1ksl h ALA 212 Ca -0.48 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.20 1ksl h ALA 212 Cb 1.29 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 1ksl h ALA 212 CO 0.60 0.19 -0.01 -0.40 0.00 0.00 0.00 179.25 179.63 1ksl n ASP 213 N -3.32 3.26 -4.46 0.00 5.75 -1.26 -4.90 116.55 111.62 1ksl n ASP 213 Ca 0.00 -3.33 -0.43 0.00 -0.01 0.00 0.00 54.79 51.02 1ksl n ASP 213 Cb 0.39 -0.58 -0.10 0.00 -1.03 0.00 0.00 41.12 39.80 1ksl n ASP 213 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1ksl s LEU 214 N -3.01 5.08 0.69 -2.12 2.96 -1.20 -5.06 118.68 116.02 1ksl s LEU 214 Ca 0.43 -0.87 -0.14 0.00 -0.22 0.00 0.00 54.13 53.33 1ksl s LEU 214 Cb 0.37 -2.20 0.02 0.00 0.50 0.00 0.00 46.19 44.87 1ksl s LEU 214 CO 0.05 -0.48 1.12 0.00 -1.32 0.00 0.00 176.35 175.72 1ksl s ALA 215 N 1.76 2.37 0.17 5.97 0.00 -1.26 -4.86 121.76 125.91 1ksl s ALA 215 Ca 0.06 0.54 -0.33 0.00 0.00 0.00 0.00 51.96 52.24 1ksl s ALA 215 Cb -0.19 -3.33 -0.13 0.00 0.00 0.00 0.00 23.12 19.48 1ksl s ALA 215 CO 0.11 -1.45 1.69 -0.35 0.00 0.00 0.00 175.76 175.75 1ksl n PRO 216 N -2.67 2.55 0.00 0.00 -0.04 -1.26 -0.75 135.00 132.82 1ksl n PRO 216 Ca 0.11 0.92 0.00 0.00 -0.04 0.00 0.00 63.50 64.48 1ksl n PRO 216 Cb 0.52 -2.74 0.00 0.00 -0.04 0.00 0.00 33.50 31.23 1ksl n PRO 216 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ksl n GLY 217 N 3.82 3.18 3.87 0.55 0.00 0.68 -4.91 105.19 112.38 1ksl n GLY 217 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1ksl n GLY 217 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ksl s GLU 218 N -0.62 3.66 0.26 1.61 2.02 0.07 -4.85 118.70 120.86 1ksl s GLU 218 Ca 0.00 0.69 -0.17 0.00 0.02 0.00 0.00 54.97 55.52 1ksl s GLU 218 Cb 0.00 -2.15 0.01 0.00 0.10 0.00 0.00 34.13 32.09 1ksl s GLU 218 CO 0.00 -0.44 0.59 1.52 0.02 0.00 0.00 175.26 176.95 1ksl s TYR 219 N -2.98 0.09 0.03 1.61 -0.85 -1.26 -1.45 117.35 112.55 1ksl s TYR 219 Ca 0.54 -0.50 -0.27 0.00 -0.52 0.00 0.00 57.07 56.33 1ksl s TYR 219 Cb -0.11 0.43 0.09 0.00 0.38 0.00 0.00 41.96 42.75 1ksl s TYR 219 CO 0.48 -1.10 0.77 -0.98 -1.52 0.00 0.00 175.55 173.20 1ksl s ARG 220 N -3.97 0.99 0.46 -3.49 1.70 -1.26 -5.00 118.95 108.39 1ksl s ARG 220 Ca 0.17 -0.25 -0.24 0.00 -0.47 0.00 0.00 55.73 54.94 1ksl s ARG 220 Cb -0.03 0.46 -0.07 0.00 -0.57 0.00 0.00 34.95 34.74 1ksl s ARG 220 CO 0.08 -0.41 1.27 -2.14 -1.08 0.00 0.00 175.30 173.02 1ksl s PRO 221 N -2.93 3.66 0.54 3.89 0.02 -1.26 -4.40 135.00 134.52 1ksl s PRO 221 Ca 0.01 2.05 -0.17 0.00 0.02 0.00 0.00 61.00 62.91 1ksl s PRO 221 Cb -0.01 -2.49 -0.06 0.00 0.02 0.00 0.00 34.50 31.96 1ksl s PRO 221 CO -0.07 -0.72 1.02 -0.51 -0.33 0.00 0.00 177.00 176.39 1ksl s LEU 222 N -2.95 3.60 0.75 -5.54 1.43 0.16 -4.93 118.68 111.20 1ksl s LEU 222 Ca 0.63 1.72 -0.11 0.00 -1.03 0.00 0.00 54.13 55.34 1ksl s LEU 222 Cb -0.35 -4.53 0.05 0.00 0.03 0.00 0.00 46.19 41.39 1ksl s LEU 222 CO 0.44 -0.85 1.11 0.42 0.23 0.00 0.00 176.35 177.70 1ksl s THR 223 N -2.47 2.70 0.26 5.49 -4.23 -1.26 -4.86 115.64 111.28 1ksl s THR 223 Ca 0.62 0.16 -0.04 0.00 -1.18 0.00 0.00 61.69 61.24 1ksl s THR 223 Cb -0.13 -3.21 0.22 0.00 1.34 0.00 0.00 72.50 70.72 1ksl s THR 223 CO 0.32 -0.27 1.90 -0.33 -0.54 0.00 0.00 174.62 175.70 1ksl h GLU 224 N -0.80 1.14 -0.47 3.99 5.08 -1.99 -1.37 114.58 120.16 1ksl h GLU 224 Ca -0.45 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 57.78 1ksl h GLU 224 Cb 1.29 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 1ksl h GLU 224 CO 0.64 0.82 0.27 1.49 -1.00 0.00 0.00 179.01 181.23 1ksl h GLU 225 N 1.15 0.65 -0.63 2.33 4.57 -1.98 0.45 114.58 121.13 1ksl h GLU 225 Ca 0.29 -0.07 -0.09 0.00 -1.18 0.00 0.00 59.36 58.31 1ksl h GLU 225 Cb 0.00 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.44 1ksl h GLU 225 CO -0.05 0.50 0.04 0.93 -1.18 0.00 0.00 179.01 179.26 1ksl h GLU 226 N 0.63 1.08 -0.22 1.92 5.08 -1.83 -2.76 114.58 118.47 1ksl h GLU 226 Ca 0.17 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 1ksl h GLU 226 Cb 0.03 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1ksl h GLU 226 CO -0.03 1.03 -0.01 0.82 -1.00 0.00 0.00 179.01 179.82 1ksl h ILE 227 N 0.99 1.26 -1.09 3.13 2.04 -1.01 -2.82 117.51 120.01 1ksl h ILE 227 Ca 0.18 -0.92 0.31 0.00 1.00 0.00 0.00 64.86 65.43 1ksl h ILE 227 Cb 0.52 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.99 1ksl h ILE 227 CO 0.02 0.28 1.15 0.00 0.00 0.00 0.00 178.15 179.61 1ksl h ALA 228 N 0.78 2.99 0.00 1.87 0.00 0.19 -3.34 119.26 121.76 1ksl h ALA 228 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ksl h ALA 228 Cb 0.43 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ksl h ALA 228 CO 0.01 -1.71 0.00 0.45 0.00 0.00 0.00 179.25 178.01 1ksl n SER 229 N -3.41 0.00 -1.34 0.00 2.88 -1.09 -4.96 113.62 105.69 1ksl n SER 229 Ca 0.24 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.73 1ksl n SER 229 Cb 1.48 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.97 1ksl n SER 229 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1ksl n VAL 230 N 0.00 1.65 -0.61 2.46 3.14 -1.08 -4.32 118.33 119.56 1ksl n VAL 230 Ca 0.00 -0.51 0.00 0.00 -2.96 0.00 0.00 64.34 60.87 1ksl n VAL 230 Cb 0.00 -1.06 0.00 0.00 -1.06 0.00 0.00 33.84 31.72 1ksl n VAL 230 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70