#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ky7 s LYS 2 N 0.00 0.69 -0.03 2.12 -2.85 -1.02 -2.43 119.74 116.22 3ky7 s LYS 2 Ca 0.00 -0.80 0.01 0.00 -1.00 0.00 0.00 55.97 54.17 3ky7 s LYS 2 Cb 0.00 -0.60 0.03 0.00 -2.06 0.00 0.00 37.83 35.20 3ky7 s LYS 2 CO 0.00 0.13 -0.01 0.42 0.10 0.00 0.00 175.35 175.99 3ky7 s ILE 3 N -1.20 0.25 -0.03 3.79 1.01 0.10 -1.82 121.20 123.31 3ky7 s ILE 3 Ca -0.05 0.04 0.06 0.00 0.00 0.00 0.00 60.65 60.71 3ky7 s ILE 3 Cb -0.09 -0.33 -0.02 0.00 0.01 0.00 0.00 42.46 42.02 3ky7 s ILE 3 CO 0.01 0.16 -0.20 -1.81 0.00 0.00 0.00 174.94 173.10 3ky7 s ASP 4 N 1.01 3.52 -0.29 3.58 1.01 -0.17 -1.55 116.67 123.78 3ky7 s ASP 4 Ca -0.10 -0.35 0.03 0.00 0.71 0.00 0.00 52.55 52.84 3ky7 s ASP 4 Cb -0.14 -0.58 0.07 0.00 1.01 0.00 0.00 42.92 43.29 3ky7 s ASP 4 CO -0.01 0.33 -0.05 -0.31 0.21 0.00 0.00 175.17 175.33 3ky7 s TYR 5 N -0.68 3.40 -0.46 4.23 2.02 -1.16 -0.97 117.35 123.73 3ky7 s TYR 5 Ca 0.11 -2.46 -0.20 0.00 -0.37 0.00 0.00 57.07 54.15 3ky7 s TYR 5 Cb -0.10 -2.23 0.03 0.00 -0.40 0.00 0.00 41.96 39.26 3ky7 s TYR 5 CO 0.00 -0.89 0.64 -0.48 -1.57 0.00 0.00 175.55 173.25 3ky7 s LEU 6 N 1.07 4.60 0.05 -1.29 0.05 -0.74 -0.70 118.68 121.72 3ky7 s LEU 6 Ca -0.03 -0.49 -0.04 0.00 0.05 0.00 0.00 54.13 53.62 3ky7 s LEU 6 Cb -0.20 -2.65 -0.02 0.00 -2.05 0.00 0.00 46.19 41.27 3ky7 s LEU 6 CO -0.05 -0.82 0.05 0.28 -0.55 0.00 0.00 176.35 175.26 3ky7 s THR 7 N 2.80 0.16 -2.32 5.48 -1.32 -0.80 -2.35 115.64 117.29 3ky7 s THR 7 Ca 0.21 -1.34 0.21 0.00 -1.21 0.00 0.00 61.69 59.55 3ky7 s THR 7 Cb -0.15 -1.12 0.44 0.00 -1.51 0.00 0.00 72.50 70.16 3ky7 s THR 7 CO 0.17 -0.74 1.51 0.18 -2.21 0.00 0.00 174.62 173.53 3ky7 n LEU 8 N 0.49 2.01 -3.19 9.08 4.77 -1.26 -2.56 117.00 126.34 3ky7 n LEU 8 Ca -0.17 -0.84 -0.23 0.00 -0.03 0.00 0.00 56.01 54.74 3ky7 n LEU 8 Cb 0.60 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 3ky7 n LEU 8 CO 0.24 0.42 -0.27 0.49 -1.33 0.00 0.00 177.39 176.95 3ky7 n PHE 9 N 0.55 -0.07 0.31 -1.77 3.72 -1.26 -4.93 117.46 114.01 3ky7 n PHE 9 Ca 0.17 -3.65 0.20 0.00 -0.05 0.00 0.00 57.45 54.12 3ky7 n PHE 9 Cb 0.38 -0.37 1.03 0.00 -0.94 0.00 0.00 39.48 39.58 3ky7 n PHE 9 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3ky7 h PRO 10 N 3.75 0.00 -0.24 -1.08 0.13 -1.91 -2.30 132.00 130.35 3ky7 h PRO 10 Ca 0.08 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.13 3ky7 h PRO 10 Cb 0.89 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 3ky7 h PRO 10 CO 0.48 0.00 -0.20 1.05 -0.23 0.00 0.00 178.00 179.10 3ky7 h GLU 11 N 0.00 0.42 -0.43 0.86 9.09 -1.97 -2.73 114.58 119.82 3ky7 h GLU 11 Ca 0.00 -0.14 0.13 0.00 0.05 0.00 0.00 59.36 59.40 3ky7 h GLU 11 Cb 0.13 -0.04 -0.02 0.00 -1.65 0.00 0.00 28.75 27.18 3ky7 h GLU 11 CO 0.00 0.61 0.37 0.52 0.05 0.00 0.00 179.01 180.56 3ky7 h MET 12 N 0.38 0.00 0.00 1.06 2.86 -1.84 -2.11 114.93 115.28 3ky7 h MET 12 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3ky7 h MET 12 Cb 0.57 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.23 3ky7 h MET 12 CO 0.04 0.00 -0.38 0.74 1.06 0.00 0.00 176.91 178.37 3ky7 h PHE 13 N 0.00 0.00 -0.10 -0.22 0.04 -1.66 -3.39 116.94 111.60 3ky7 h PHE 13 Ca 0.21 0.00 0.04 0.00 2.80 0.00 0.00 57.97 61.01 3ky7 h PHE 13 Cb 0.95 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.05 3ky7 h PHE 13 CO 0.00 0.00 -0.15 -0.44 -0.60 0.00 0.00 178.31 177.12 3ky7 h ASP 14 N 0.00 -0.47 -0.69 2.17 5.19 -1.48 0.20 116.42 121.34 3ky7 h ASP 14 Ca 0.00 0.08 0.08 0.00 -0.62 0.00 0.00 57.03 56.57 3ky7 h ASP 14 Cb 0.88 0.22 -0.06 0.00 0.18 0.00 0.00 39.33 40.55 3ky7 h ASP 14 CO 0.00 -0.20 0.35 1.23 -3.12 0.00 0.00 179.24 177.50 3ky7 h GLY 15 N -0.20 1.02 0.25 2.75 0.00 -1.77 -3.22 103.07 101.89 3ky7 h GLY 15 Ca 0.09 -0.23 -0.10 0.00 0.00 0.00 0.00 47.33 47.09 3ky7 h GLY 15 CO -0.22 0.09 -0.45 -2.08 0.00 0.00 0.00 176.54 173.87 3ky7 h VAL 16 N 0.62 1.58 -0.99 4.60 2.07 -1.68 -3.16 116.25 119.30 3ky7 h VAL 16 Ca 0.33 -2.40 0.32 0.00 0.82 0.00 0.00 66.70 65.78 3ky7 h VAL 16 Cb 0.30 3.19 -0.15 0.00 -1.52 0.00 0.00 31.29 33.11 3ky7 h VAL 16 CO -0.24 0.62 0.54 -0.07 0.02 0.00 0.00 177.57 178.44 3ky7 h LEU 17 N -0.76 0.45 0.00 2.57 3.38 -0.67 -3.20 115.31 117.07 3ky7 h LEU 17 Ca -0.09 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3ky7 h LEU 17 Cb 1.27 0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.19 3ky7 h LEU 17 CO 0.03 -0.17 0.00 0.59 0.09 0.00 0.00 178.44 178.99 3ky7 n ASN 18 N -5.09 0.00 0.00 -0.43 4.13 -1.22 -4.49 115.26 108.16 3ky7 n ASN 18 Ca 0.31 0.13 0.00 0.00 1.68 0.00 0.00 54.58 56.70 3ky7 n ASN 18 Cb 0.99 -0.43 0.01 0.00 -1.54 0.00 0.00 39.78 38.80 3ky7 n ASN 18 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 3ky7 n HIS 19 N -2.19 0.00 -2.61 3.10 8.25 -1.19 -4.24 115.22 116.34 3ky7 n HIS 19 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.24 3ky7 n HIS 19 Cb 0.00 -0.34 0.04 0.00 1.12 0.00 0.00 29.99 30.81 3ky7 n HIS 19 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3ky7 s SER 20 N -2.68 5.25 0.00 0.41 1.04 -1.21 -4.89 113.70 111.62 3ky7 s SER 20 Ca 0.00 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.48 3ky7 s SER 20 Cb 0.00 -0.92 0.00 0.00 0.10 0.00 0.00 66.02 65.20 3ky7 s SER 20 CO 0.00 -1.17 0.79 0.00 0.98 0.00 0.00 173.24 173.84 3ky7 n ILE 21 N -2.39 0.79 0.00 -1.02 0.13 -1.26 -3.39 119.36 112.21 3ky7 n ILE 21 Ca 0.08 -0.17 -0.14 0.00 -1.10 0.00 0.00 62.75 61.42 3ky7 n ILE 21 Cb 0.60 -1.11 -0.14 0.00 -0.84 0.00 0.00 39.64 38.15 3ky7 n ILE 21 CO 0.00 0.00 0.00 -0.03 2.80 0.00 0.00 176.55 179.32 3ky7 h MET 22 N 2.34 0.12 0.00 9.51 4.05 -1.86 -3.35 114.93 125.74 3ky7 h MET 22 Ca 0.00 -0.20 0.00 0.00 -0.28 0.00 0.00 59.70 59.22 3ky7 h MET 22 Cb 0.44 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.32 3ky7 h MET 22 CO 0.00 0.83 0.00 0.87 0.23 0.00 0.00 176.91 178.84 3ky7 h LYS 23 N 0.03 0.00 -0.48 0.39 1.79 -1.73 -2.99 116.57 113.58 3ky7 h LYS 23 Ca -0.31 0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.25 3ky7 h LYS 23 Cb 2.01 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 32.56 3ky7 h LYS 23 CO 0.10 0.00 -0.40 0.00 -1.08 0.00 0.00 179.45 178.07 3ky7 h ARG 24 N 0.00 -0.26 0.10 3.15 2.47 -1.88 -2.26 114.38 115.71 3ky7 h ARG 24 Ca 0.00 0.02 -0.27 0.00 -1.26 0.00 0.00 59.98 58.46 3ky7 h ARG 24 Cb 0.02 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.40 3ky7 h ARG 24 CO 0.00 -0.17 -1.30 0.00 0.56 0.00 0.00 179.97 179.05 3ky7 h ALA 25 N 0.61 0.20 -0.48 0.04 0.00 -1.83 -3.19 119.26 114.60 3ky7 h ALA 25 Ca 0.17 -0.97 0.01 0.00 0.00 0.00 0.00 54.91 54.11 3ky7 h ALA 25 Cb 0.57 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3ky7 h ALA 25 CO -0.62 1.08 0.32 1.96 0.00 0.00 0.00 179.25 181.99 3ky7 h GLN 26 N 0.06 0.62 0.00 0.00 4.20 -1.53 -2.30 115.11 116.16 3ky7 h GLN 26 Ca -0.15 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.44 3ky7 h GLN 26 Cb 1.96 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 29.59 3ky7 h GLN 26 CO 0.18 0.41 -0.38 0.93 -0.67 0.00 0.00 178.83 179.30 3ky7 h GLU 27 N 0.64 0.00 -0.91 1.46 5.08 -1.57 -3.27 114.58 116.01 3ky7 h GLU 27 Ca 0.18 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 3ky7 h GLU 27 Cb -0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3ky7 h GLU 27 CO -0.05 0.38 0.02 0.09 -1.00 0.00 0.00 179.01 178.46 3ky7 n ASN 28 N -3.33 2.31 -0.95 1.42 3.02 -0.88 -4.88 115.26 111.97 3ky7 n ASN 28 Ca 0.01 -2.25 -0.05 0.00 -0.03 0.00 0.00 54.58 52.25 3ky7 n ASN 28 Cb 0.59 -0.55 -0.02 0.00 -0.61 0.00 0.00 39.78 39.19 3ky7 n ASN 28 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3ky7 n ASN 29 N 0.15 -1.86 -0.02 6.41 5.15 -1.18 -4.75 115.26 119.16 3ky7 n ASN 29 Ca 0.08 0.14 -0.18 0.00 -0.60 0.00 0.00 54.58 54.02 3ky7 n ASN 29 Cb 0.53 -1.85 -0.08 0.00 -0.53 0.00 0.00 39.78 37.85 3ky7 n ASN 29 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 3ky7 h LYS 30 N 0.00 0.77 -3.56 1.20 1.79 -1.81 -3.48 116.57 111.48 3ky7 h LYS 30 Ca -0.11 -0.65 -0.08 0.00 -2.18 0.00 0.00 60.65 57.62 3ky7 h LYS 30 Cb 0.43 0.14 -0.15 0.00 -1.58 0.00 0.00 32.23 31.07 3ky7 h LYS 30 CO 0.16 1.26 -0.29 -0.48 -1.08 0.00 0.00 179.45 179.02 3ky7 s LEU 31 N -8.40 1.08 -0.23 2.94 0.05 -1.23 -0.79 118.68 112.10 3ky7 s LEU 31 Ca -0.10 -0.43 0.02 0.00 0.05 0.00 0.00 54.13 53.67 3ky7 s LEU 31 Cb 0.08 1.26 0.04 0.00 -2.05 0.00 0.00 46.19 45.52 3ky7 s LEU 31 CO 0.90 -0.70 -0.13 -1.10 -0.55 0.00 0.00 176.35 174.77 3ky7 s GLN 32 N -3.31 2.52 -0.49 1.48 -0.21 -1.02 -4.39 119.66 114.25 3ky7 s GLN 32 Ca 0.00 -1.16 -0.03 0.00 0.02 0.00 0.00 55.36 54.20 3ky7 s GLN 32 Cb 0.02 -2.80 0.13 0.00 1.00 0.00 0.00 33.01 31.36 3ky7 s GLN 32 CO -0.08 -0.44 0.30 0.42 -2.12 0.00 0.00 175.29 173.36 3ky7 s ILE 33 N 1.18 3.49 0.08 1.08 1.01 -1.26 0.01 121.20 126.80 3ky7 s ILE 33 Ca -0.04 -2.36 0.07 0.00 0.00 0.00 0.00 60.65 58.32 3ky7 s ILE 33 Cb -0.18 -3.35 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 3ky7 s ILE 33 CO -0.07 -0.76 -0.17 0.21 0.00 0.00 0.00 174.94 174.14 3ky7 s ASN 34 N 1.48 2.08 0.15 3.58 3.84 -0.60 -5.00 114.94 120.47 3ky7 s ASN 34 Ca 0.11 -0.63 -0.15 0.00 0.21 0.00 0.00 52.86 52.40 3ky7 s ASN 34 Cb -0.22 -0.10 -0.07 0.00 -0.55 0.00 0.00 41.25 40.31 3ky7 s ASN 34 CO -0.04 -0.00 0.57 0.28 -2.79 0.00 0.00 177.10 175.11 3ky7 s THR 35 N -1.18 4.82 -0.12 -5.21 -1.32 -1.26 -2.97 115.64 108.39 3ky7 s THR 35 Ca 0.02 0.90 0.01 0.00 -1.21 0.00 0.00 61.69 61.41 3ky7 s THR 35 Cb -0.10 -3.76 0.02 0.00 -1.51 0.00 0.00 72.50 67.15 3ky7 s THR 35 CO 0.03 0.26 -0.15 -0.69 -2.21 0.00 0.00 174.62 171.86 3ky7 s VAL 36 N -1.44 1.56 -0.51 5.08 1.01 0.12 -4.90 120.40 121.32 3ky7 s VAL 36 Ca 0.37 -0.66 -0.27 0.00 0.00 0.00 0.00 61.98 61.42 3ky7 s VAL 36 Cb -0.15 -1.44 0.03 0.00 0.00 0.00 0.00 36.38 34.82 3ky7 s VAL 36 CO 0.19 0.46 1.06 0.21 0.00 0.00 0.00 175.10 177.02 3ky7 s ASN 37 N 1.15 6.51 0.57 3.32 3.84 -1.26 -1.91 114.94 127.16 3ky7 s ASN 37 Ca -0.03 0.16 0.37 0.00 0.21 0.00 0.00 52.86 53.58 3ky7 s ASN 37 Cb -0.14 -2.50 1.80 0.00 -0.55 0.00 0.00 41.25 39.86 3ky7 s ASN 37 CO -0.05 -1.25 2.12 0.15 -2.79 0.00 0.00 177.10 175.29 3ky7 h PHE 38 N 9.28 0.00 0.00 0.43 -0.00 -1.84 -2.65 116.94 122.15 3ky7 h PHE 38 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.73 3ky7 h PHE 38 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.02 3ky7 h PHE 38 CO 0.95 0.00 0.00 -2.13 -0.00 0.00 0.00 178.31 177.13 3ky7 n ARG 39 N -3.00 0.22 0.04 1.11 0.63 -1.26 -2.38 116.66 112.01 3ky7 n ARG 39 Ca -0.01 0.13 0.12 0.00 -0.92 0.00 0.00 57.85 57.17 3ky7 n ARG 39 Cb 0.19 -1.50 0.49 0.00 0.45 0.00 0.00 32.46 32.09 3ky7 n ARG 39 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3ky7 n ASP 40 N -1.32 0.26 -0.38 6.15 8.00 -1.00 -3.47 116.55 124.79 3ky7 n ASP 40 Ca 0.08 0.54 0.08 0.00 0.71 0.00 0.00 54.79 56.19 3ky7 n ASP 40 Cb 0.15 -0.60 0.01 0.00 -0.02 0.00 0.00 41.12 40.66 3ky7 n ASP 40 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3ky7 n TYR 41 N -1.75 0.00 -1.64 1.24 4.01 -1.00 -5.12 117.16 112.89 3ky7 n TYR 41 Ca 0.05 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.45 3ky7 n TYR 41 Cb 0.32 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.41 3ky7 n TYR 41 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3ky7 s ALA 42 N -1.78 2.29 0.00 -0.72 0.00 -1.23 -4.50 121.76 115.83 3ky7 s ALA 42 Ca 0.13 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.94 3ky7 s ALA 42 Cb 0.13 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.81 3ky7 s ALA 42 CO 0.37 -1.58 0.00 0.09 0.00 0.00 0.00 175.76 174.64 3ky7 n ASN 44 N -2.37 0.00 -0.12 0.00 5.03 -1.26 -4.91 115.26 111.62 3ky7 n ASN 44 Ca 0.13 0.00 -0.03 0.00 0.87 0.00 0.00 54.58 55.55 3ky7 n ASN 44 Cb 0.50 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.23 3ky7 n ASN 44 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3ky7 n LYS 45 N 2.06 -0.13 -3.54 3.52 5.02 -1.26 -3.84 118.16 119.98 3ky7 n LYS 45 Ca 0.00 0.74 -0.37 0.00 -2.02 0.00 0.00 58.31 56.65 3ky7 n LYS 45 Cb 0.00 -1.09 -0.06 0.00 -0.02 0.00 0.00 35.03 33.86 3ky7 n LYS 45 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 3ky7 s HIS 46 N -4.16 3.56 -0.53 2.13 -3.43 -1.26 -4.98 115.29 106.62 3ky7 s HIS 46 Ca -0.04 0.74 -0.06 0.00 -0.80 0.00 0.00 55.06 54.90 3ky7 s HIS 46 Cb 0.03 -2.30 -0.17 0.00 -1.43 0.00 0.00 32.58 28.71 3ky7 s HIS 46 CO 0.18 0.41 2.96 0.09 -2.00 0.00 0.00 174.74 176.39 3ky7 n ASN 47 N 2.87 5.58 -4.60 7.38 3.02 -1.25 -4.83 115.26 123.42 3ky7 n ASN 47 Ca -0.13 -2.39 -0.31 0.00 -0.03 0.00 0.00 54.58 51.73 3ky7 n ASN 47 Cb 0.52 -1.28 -0.10 0.00 -0.61 0.00 0.00 39.78 38.32 3ky7 n ASN 47 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3ky7 s GLN 48 N 1.81 2.38 0.00 3.52 -0.21 -1.26 -4.91 119.66 120.98 3ky7 s GLN 48 Ca 0.58 -0.87 0.19 0.00 0.02 0.00 0.00 55.36 55.27 3ky7 s GLN 48 Cb 0.23 -2.43 0.15 0.00 1.00 0.00 0.00 33.01 31.96 3ky7 s GLN 48 CO -0.02 0.55 1.09 1.33 -2.12 0.00 0.00 175.29 176.12 3ky7 n VAL 49 N 1.01 0.00 -4.20 1.09 0.24 -1.26 -4.80 118.33 110.41 3ky7 n VAL 49 Ca -0.14 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.34 61.35 3ky7 n VAL 49 Cb 0.52 1.39 -0.08 0.00 -1.47 0.00 0.00 33.84 34.20 3ky7 n VAL 49 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3ky7 s ASP 50 N -1.56 5.13 0.12 -1.34 2.15 -1.26 -1.03 116.67 118.87 3ky7 s ASP 50 Ca 0.22 -0.07 -0.25 0.00 0.43 0.00 0.00 52.55 52.88 3ky7 s ASP 50 Cb 0.16 -1.30 0.07 0.00 -0.30 0.00 0.00 42.92 41.55 3ky7 s ASP 50 CO 0.24 0.23 0.78 -0.62 -0.17 0.00 0.00 175.17 175.62 3ky7 s ASP 51 N -1.93 -0.38 0.56 -0.34 -1.08 -0.36 -4.83 116.67 108.31 3ky7 s ASP 51 Ca 0.23 -0.17 -0.20 0.00 -0.52 0.00 0.00 52.55 51.89 3ky7 s ASP 51 Cb -0.12 0.53 -0.05 0.00 -1.46 0.00 0.00 42.92 41.82 3ky7 s ASP 51 CO 0.15 -0.90 1.22 -0.31 0.52 0.00 0.00 175.17 175.84 3ky7 s TYR 52 N -3.48 2.49 -0.08 -5.34 1.51 -1.26 -0.34 117.35 110.85 3ky7 s TYR 52 Ca 0.06 1.50 -0.29 0.00 -1.01 0.00 0.00 57.07 57.33 3ky7 s TYR 52 Cb -0.02 -3.50 -0.02 0.00 -0.11 0.00 0.00 41.96 38.31 3ky7 s TYR 52 CO -0.06 -2.14 0.95 -1.25 -1.11 0.00 0.00 175.55 171.94 3ky7 s PRO 53 N -3.14 4.45 0.34 -1.71 0.04 -1.26 -4.78 135.00 128.95 3ky7 s PRO 53 Ca 0.73 1.30 -0.29 0.00 0.04 0.00 0.00 61.00 62.79 3ky7 s PRO 53 Cb -0.31 -3.51 -0.11 0.00 0.04 0.00 0.00 34.50 30.61 3ky7 s PRO 53 CO 0.35 -0.19 1.38 0.71 0.04 0.00 0.00 177.00 179.29 3ky7 s TYR 54 N 1.59 2.87 0.00 0.56 4.12 -1.26 -1.80 117.35 123.43 3ky7 s TYR 54 Ca 0.47 1.30 0.00 0.00 0.02 0.00 0.00 57.07 58.86 3ky7 s TYR 54 Cb -0.19 -3.82 0.00 0.00 -1.52 0.00 0.00 41.96 36.43 3ky7 s TYR 54 CO 0.20 -2.34 0.00 0.41 0.02 0.00 0.00 175.55 173.84 3ky7 n GLY 55 N 0.76 1.76 0.00 0.71 0.00 -1.26 -4.90 105.19 102.26 3ky7 n GLY 55 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3ky7 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ky7 n GLY 56 N -2.00 0.54 0.00 -0.02 0.00 -0.74 -5.14 105.19 97.83 3ky7 n GLY 56 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.20 3ky7 n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ky7 n GLY 57 N 0.74 3.48 0.11 -0.02 0.00 -1.26 -4.85 105.19 103.38 3ky7 n GLY 57 Ca 0.00 -1.15 0.12 0.00 0.00 0.00 0.00 46.02 45.00 3ky7 n GLY 57 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3ky7 h GLN 58 N 0.00 0.00 -6.16 1.61 4.15 -2.00 -3.47 115.11 109.24 3ky7 h GLN 58 Ca 0.00 0.00 -0.55 0.00 0.77 0.00 0.00 58.65 58.87 3ky7 h GLN 58 Cb 0.00 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 3ky7 h GLN 58 CO 0.00 0.00 -0.24 0.20 -1.93 0.00 0.00 178.83 176.86 3ky7 s GLY 59 N -3.83 2.16 0.24 2.39 0.00 -1.26 -5.13 107.32 101.89 3ky7 s GLY 59 Ca 0.07 -1.55 0.06 0.00 0.00 0.00 0.00 44.72 43.29 3ky7 s GLY 59 CO 0.69 -1.86 0.31 1.06 0.00 0.00 0.00 173.10 173.30 3ky7 s MET 60 N -4.41 3.28 -0.04 2.90 -1.94 -1.26 -4.45 119.30 113.38 3ky7 s MET 60 Ca 0.43 -0.84 0.05 0.00 -1.71 0.00 0.00 55.69 53.62 3ky7 s MET 60 Cb -0.03 -2.79 -0.01 0.00 2.01 0.00 0.00 34.83 34.01 3ky7 s MET 60 CO 0.27 0.43 -0.19 0.08 -0.01 0.00 0.00 175.02 175.59 3ky7 s VAL 61 N -2.01 1.59 0.01 -6.03 1.01 0.54 -2.85 120.40 112.66 3ky7 s VAL 61 Ca 0.34 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 3ky7 s VAL 61 Cb -0.09 -1.35 -0.07 0.00 0.00 0.00 0.00 36.38 34.87 3ky7 s VAL 61 CO 0.28 0.45 1.73 -0.22 0.00 0.00 0.00 175.10 177.34 3ky7 s LEU 62 N -0.09 4.36 0.53 3.92 2.96 0.00 -1.22 118.68 129.14 3ky7 s LEU 62 Ca -0.02 2.42 -0.22 0.00 -0.22 0.00 0.00 54.13 56.10 3ky7 s LEU 62 Cb -0.11 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.98 3ky7 s LEU 62 CO 0.02 -0.94 1.29 -0.54 -1.32 0.00 0.00 176.35 174.86 3ky7 s LYS 63 N 3.65 3.29 0.03 1.98 1.02 -0.20 -2.40 119.74 127.11 3ky7 s LYS 63 Ca 0.77 2.08 -0.21 0.00 0.02 0.00 0.00 55.97 58.63 3ky7 s LYS 63 Cb -0.38 -2.27 -0.17 0.00 -0.52 0.00 0.00 37.83 34.50 3ky7 s LYS 63 CO 0.33 -1.02 1.27 -1.00 -0.92 0.00 0.00 175.35 174.01 3ky7 h PRO 64 N 1.57 0.36 -0.45 -1.68 0.13 -1.92 -3.37 132.00 126.63 3ky7 h PRO 64 Ca -0.50 -0.23 0.07 0.00 -0.87 0.00 0.00 66.00 64.46 3ky7 h PRO 64 Cb 1.29 0.03 -0.09 0.00 0.13 0.00 0.00 31.00 32.35 3ky7 h PRO 64 CO 0.58 0.83 -0.47 0.93 -0.23 0.00 0.00 178.00 179.63 3ky7 h GLU 65 N -0.07 -0.31 -0.56 0.86 5.08 -1.98 -1.05 114.58 116.55 3ky7 h GLU 65 Ca 0.00 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.46 3ky7 h GLU 65 Cb 0.81 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.07 3ky7 h GLU 65 CO 0.05 -0.21 0.22 -1.35 -1.00 0.00 0.00 179.01 176.72 3ky7 h PRO 66 N -0.33 0.40 -0.29 2.33 0.11 -1.79 -0.95 132.00 131.49 3ky7 h PRO 66 Ca 0.13 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 3ky7 h PRO 66 Cb 0.58 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 3ky7 h PRO 66 CO -0.61 0.26 0.16 0.28 -0.21 0.00 0.00 178.00 177.89 3ky7 h VAL 67 N 0.41 1.12 -1.01 3.15 2.07 -1.52 0.33 116.25 120.80 3ky7 h VAL 67 Ca 0.27 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.53 3ky7 h VAL 67 Cb 0.30 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 3ky7 h VAL 67 CO -0.26 0.12 0.66 -0.26 0.02 0.00 0.00 177.57 177.85 3ky7 h PHE 68 N 0.36 1.24 -0.44 1.57 0.04 -0.85 -1.65 116.94 117.22 3ky7 h PHE 68 Ca 0.10 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.86 3ky7 h PHE 68 Cb 0.04 -0.42 -0.02 0.00 2.20 0.00 0.00 35.95 37.76 3ky7 h PHE 68 CO -0.04 0.73 0.10 -0.91 -0.60 0.00 0.00 178.31 177.59 3ky7 h ASN 69 N 1.29 0.67 -0.84 2.17 2.35 -0.55 -1.81 115.58 118.86 3ky7 h ASN 69 Ca 0.40 -0.24 0.02 0.00 -0.55 0.00 0.00 56.30 55.92 3ky7 h ASN 69 Cb -0.02 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.13 3ky7 h ASN 69 CO -0.12 0.74 0.55 0.00 -1.65 0.00 0.00 177.43 176.95 3ky7 h ALA 70 N 0.96 1.08 0.00 -0.83 0.00 -0.64 -1.53 119.26 118.30 3ky7 h ALA 70 Ca 0.14 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 3ky7 h ALA 70 Cb 0.34 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3ky7 h ALA 70 CO 0.00 0.44 -0.33 0.52 0.00 0.00 0.00 179.25 179.89 3ky7 h MET 71 N 1.11 0.00 0.82 0.00 2.86 -1.05 -2.51 114.93 116.16 3ky7 h MET 71 Ca 0.32 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.92 3ky7 h MET 71 Cb -0.09 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.58 3ky7 h MET 71 CO -0.08 0.33 -0.39 0.93 1.06 0.00 0.00 176.91 178.76 3ky7 h GLU 72 N 0.00 -1.06 0.00 1.72 4.39 -0.40 -2.48 114.58 116.75 3ky7 h GLU 72 Ca -0.00 0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.77 3ky7 h GLU 72 Cb 0.63 0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 3ky7 h GLU 72 CO 0.04 -0.70 0.00 0.38 -1.16 0.00 0.00 179.01 177.57 3ky7 h ASP 73 N -1.27 0.00 -0.01 1.42 2.03 -1.53 -0.84 116.42 116.22 3ky7 h ASP 73 Ca -0.11 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.19 3ky7 h ASP 73 Cb 0.84 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.34 3ky7 h ASP 73 CO 0.18 0.00 0.00 0.18 -1.03 0.00 0.00 179.24 178.57 3ky7 n LEU 74 N -3.08 0.06 -3.02 0.15 4.77 -0.95 -4.90 117.00 110.04 3ky7 n LEU 74 Ca 0.01 -0.02 -0.19 0.00 -0.03 0.00 0.00 56.01 55.78 3ky7 n LEU 74 Cb 0.31 -0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3ky7 n LEU 74 CO 0.27 0.01 -0.07 0.47 -1.33 0.00 0.00 177.39 176.74 3ky7 n ASP 75 N -0.77 -3.75 -4.60 -1.43 8.00 -0.32 -4.83 116.55 108.85 3ky7 n ASP 75 Ca 0.15 -0.16 -0.43 0.00 0.71 0.00 0.00 54.79 55.06 3ky7 n ASP 75 Cb 0.08 -3.13 -0.03 0.00 -0.02 0.00 0.00 41.12 38.01 3ky7 n ASP 75 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3ky7 n VAL 76 N -3.72 0.38 -2.25 2.53 3.14 -0.95 -4.94 118.33 112.53 3ky7 n VAL 76 Ca -0.06 -0.42 -0.26 0.00 -2.96 0.00 0.00 64.34 60.64 3ky7 n VAL 76 Cb 0.56 -2.50 0.10 0.00 -1.06 0.00 0.00 33.84 30.94 3ky7 n VAL 76 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 3ky7 s THR 77 N 7.86 2.21 -0.19 1.55 -4.23 -1.26 -4.95 115.64 116.63 3ky7 s THR 77 Ca 1.00 -0.30 -0.29 0.00 -1.18 0.00 0.00 61.69 60.91 3ky7 s THR 77 Cb -0.37 -2.91 0.00 0.00 1.34 0.00 0.00 72.50 70.56 3ky7 s THR 77 CO 0.37 0.00 1.07 -1.61 -0.54 0.00 0.00 174.62 173.90 3ky7 s GLU 78 N -5.32 4.30 0.00 3.99 2.02 -1.26 -1.93 118.70 120.49 3ky7 s GLU 78 Ca 0.64 1.42 0.00 0.00 0.02 0.00 0.00 54.97 57.04 3ky7 s GLU 78 Cb -0.08 -3.63 0.00 0.00 0.10 0.00 0.00 34.13 30.52 3ky7 s GLU 78 CO 0.46 -0.56 0.00 0.94 0.02 0.00 0.00 175.26 176.12 3ky7 n GLN 79 N 6.01 0.00 -3.72 1.61 -0.06 -1.26 -5.10 117.38 114.85 3ky7 n GLN 79 Ca 0.11 0.00 -0.32 0.00 -2.00 0.00 0.00 57.00 54.79 3ky7 n GLN 79 Cb 0.46 0.00 -0.05 0.00 -4.06 0.00 0.00 30.24 26.60 3ky7 n GLN 79 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3ky7 s ALA 80 N -2.00 3.83 -0.24 1.69 0.00 -0.82 -4.67 121.76 119.56 3ky7 s ALA 80 Ca 0.00 -0.60 -0.10 0.00 0.00 0.00 0.00 51.96 51.25 3ky7 s ALA 80 Cb 0.00 -2.07 -0.05 0.00 0.00 0.00 0.00 23.12 21.00 3ky7 s ALA 80 CO 0.00 0.69 0.15 1.03 0.00 0.00 0.00 175.76 177.64 3ky7 s ARG 81 N -2.48 4.04 -0.27 0.00 1.81 0.27 -4.94 118.95 117.38 3ky7 s ARG 81 Ca 0.38 -0.29 -0.04 0.00 -1.72 0.00 0.00 55.73 54.07 3ky7 s ARG 81 Cb -0.12 -3.53 0.02 0.00 -0.45 0.00 0.00 34.95 30.87 3ky7 s ARG 81 CO 0.24 0.04 -0.00 0.08 -0.68 0.00 0.00 175.30 174.97 3ky7 s VAL 82 N 1.12 3.31 -0.14 3.52 1.01 -1.26 0.40 120.40 128.35 3ky7 s VAL 82 Ca 0.07 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.11 3ky7 s VAL 82 Cb -0.14 -2.71 -0.02 0.00 0.00 0.00 0.00 36.38 33.51 3ky7 s VAL 82 CO 0.05 0.13 -0.09 -0.63 0.00 0.00 0.00 175.10 174.56 3ky7 s ILE 83 N 1.39 3.46 -0.17 2.22 1.01 0.51 -0.41 121.20 129.21 3ky7 s ILE 83 Ca 0.01 -0.52 -0.03 0.00 0.00 0.00 0.00 60.65 60.11 3ky7 s ILE 83 Cb -0.17 -2.48 -0.02 0.00 0.01 0.00 0.00 42.46 39.79 3ky7 s ILE 83 CO -0.02 0.51 -0.05 -0.22 0.00 0.00 0.00 174.94 175.17 3ky7 s LEU 84 N 0.31 3.10 0.26 2.97 2.96 -0.74 -0.40 118.68 127.14 3ky7 s LEU 84 Ca -0.07 -0.22 -0.25 0.00 -0.22 0.00 0.00 54.13 53.37 3ky7 s LEU 84 Cb -0.15 -1.75 -0.09 0.00 0.50 0.00 0.00 46.19 44.70 3ky7 s LEU 84 CO 0.04 0.12 0.86 -0.04 -1.32 0.00 0.00 176.35 176.01 3ky7 s MET 85 N 0.66 4.52 -0.26 1.98 -1.94 -1.21 -1.61 119.30 121.45 3ky7 s MET 85 Ca -0.03 1.20 -0.04 0.00 -1.71 0.00 0.00 55.69 55.11 3ky7 s MET 85 Cb -0.15 -2.95 -0.15 0.00 2.01 0.00 0.00 34.83 33.60 3ky7 s MET 85 CO 0.02 0.38 -0.27 -2.30 -0.01 0.00 0.00 175.02 172.84 3ky7 n PRO 87 N 0.87 0.62 -0.02 2.03 -0.02 -1.26 -4.92 135.00 132.30 3ky7 n PRO 87 Ca -0.01 0.19 0.06 0.00 -2.02 0.00 0.00 63.50 61.72 3ky7 n PRO 87 Cb 0.50 -1.50 0.33 0.00 -0.02 0.00 0.00 33.50 32.81 3ky7 n PRO 87 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ky7 n GLN 88 N -3.60 1.16 -1.10 -0.52 10.64 -1.26 -4.68 117.38 118.02 3ky7 n GLN 88 Ca -0.49 -0.24 -0.30 0.00 -1.83 0.00 0.00 57.00 54.14 3ky7 n GLN 88 Cb 0.95 -1.21 0.14 0.00 -0.86 0.00 0.00 30.24 29.25 3ky7 n GLN 88 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 3ky7 s GLY 89 N -1.36 1.63 0.12 2.61 0.00 -1.26 -4.90 107.32 104.16 3ky7 s GLY 89 Ca 0.20 0.09 -0.32 0.00 0.00 0.00 0.00 44.72 44.69 3ky7 s GLY 89 CO 0.15 0.56 1.76 1.18 0.00 0.00 0.00 173.10 176.75 3ky7 n GLU 90 N -3.93 2.56 -1.71 2.90 1.02 -0.89 -3.70 120.64 116.89 3ky7 n GLU 90 Ca 0.08 0.93 -0.43 0.00 -0.02 0.00 0.00 57.16 57.72 3ky7 n GLU 90 Cb 0.54 -2.78 -0.01 0.00 -0.02 0.00 0.00 31.44 29.17 3ky7 n GLU 90 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3ky7 n PRO 91 N 4.95 2.28 -1.77 3.49 -0.04 -1.26 -1.59 135.00 141.06 3ky7 n PRO 91 Ca 0.18 0.80 -0.39 0.00 -0.04 0.00 0.00 63.50 64.05 3ky7 n PRO 91 Cb 0.34 -2.46 0.03 0.00 -0.04 0.00 0.00 33.50 31.37 3ky7 n PRO 91 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3ky7 s PHE 92 N -0.61 2.35 0.28 0.54 5.36 0.51 -4.85 117.98 121.56 3ky7 s PHE 92 Ca 0.60 1.30 -0.10 0.00 -0.96 0.00 0.00 56.93 57.78 3ky7 s PHE 92 Cb -0.57 -3.88 0.00 0.00 -0.34 0.00 0.00 43.02 38.23 3ky7 s PHE 92 CO 0.56 -2.99 0.49 -1.54 -1.46 0.00 0.00 175.22 170.28 3ky7 s SER 93 N -0.70 0.20 0.09 6.13 1.04 -1.26 -5.00 113.70 114.20 3ky7 s SER 93 Ca 0.66 -1.12 -0.18 0.00 0.48 0.00 0.00 55.95 55.79 3ky7 s SER 93 Cb -0.43 0.62 -0.08 0.00 0.10 0.00 0.00 66.02 66.24 3ky7 s SER 93 CO 0.53 -1.22 1.55 -0.74 0.98 0.00 0.00 173.24 174.34 3ky7 h HIS 94 N 2.21 0.47 -0.50 5.02 2.76 -1.98 0.78 115.15 123.91 3ky7 h HIS 94 Ca -0.28 -0.07 0.07 0.00 -2.20 0.00 0.00 60.37 57.89 3ky7 h HIS 94 Cb 1.25 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 30.05 3ky7 h HIS 94 CO 0.77 0.57 0.34 -0.56 -1.30 0.00 0.00 177.93 177.75 3ky7 h GLN 95 N 0.23 0.39 -0.01 5.26 -0.00 -1.99 0.24 115.11 119.23 3ky7 h GLN 95 Ca 0.08 -0.02 -0.23 0.00 -0.00 0.00 0.00 58.65 58.47 3ky7 h GLN 95 Cb 0.37 -0.09 0.01 0.00 -0.00 0.00 0.00 27.48 27.76 3ky7 h GLN 95 CO 0.01 0.26 -0.94 -0.22 -0.00 0.00 0.00 178.83 177.94 3ky7 h LYS 96 N 0.40 0.49 -0.52 0.06 1.63 -1.84 -1.91 116.57 114.88 3ky7 h LYS 96 Ca 0.22 -0.51 -0.02 0.00 -0.85 0.00 0.00 60.65 59.50 3ky7 h LYS 96 Cb 0.35 0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 32.10 3ky7 h LYS 96 CO -0.06 1.15 0.25 0.00 -3.45 0.00 0.00 179.45 177.35 3ky7 h ALA 97 N 0.68 0.67 -0.02 5.00 0.00 0.84 -1.90 119.26 124.52 3ky7 h ALA 97 Ca -0.08 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.71 3ky7 h ALA 97 Cb 1.57 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 3ky7 h ALA 97 CO 0.17 0.23 -0.01 0.28 0.00 0.00 0.00 179.25 179.92 3ky7 h VAL 98 N 0.69 0.97 -0.39 0.00 2.07 -0.59 -1.74 116.25 117.27 3ky7 h VAL 98 Ca 0.18 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.74 3ky7 h VAL 98 Cb 0.11 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 3ky7 h VAL 98 CO -0.02 0.00 0.16 -0.08 0.02 0.00 0.00 177.57 177.65 3ky7 h GLU 99 N -0.01 0.33 -0.34 1.57 4.81 -1.16 -2.96 114.58 116.81 3ky7 h GLU 99 Ca 0.01 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 3ky7 h GLU 99 Cb 0.03 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3ky7 h GLU 99 CO -0.03 0.22 -0.22 -0.07 -0.73 0.00 0.00 179.01 178.18 3ky7 h LEU 100 N 0.34 0.68 0.00 1.64 4.07 -1.25 -3.07 115.31 117.71 3ky7 h LEU 100 Ca 0.17 -0.24 0.00 0.00 0.08 0.00 0.00 57.88 57.90 3ky7 h LEU 100 Cb 0.13 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 41.68 3ky7 h LEU 100 CO -0.16 0.89 0.00 -1.54 -1.08 0.00 0.00 178.44 176.55 3ky7 n SER 101 N -4.12 0.00 0.01 -0.43 3.41 -0.66 -1.73 113.62 110.10 3ky7 n SER 101 Ca 0.00 0.45 -0.00 0.00 -0.26 0.00 0.00 58.87 59.06 3ky7 n SER 101 Cb 0.42 -0.46 -0.10 0.00 -0.26 0.00 0.00 64.21 63.81 3ky7 n SER 101 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3ky7 n LYS 102 N -1.46 0.63 -2.05 4.33 5.02 -1.16 -4.82 118.16 118.66 3ky7 n LYS 102 Ca 0.00 0.14 -0.35 0.00 -2.02 0.00 0.00 58.31 56.08 3ky7 n LYS 102 Cb 0.01 -1.73 0.03 0.00 -0.02 0.00 0.00 35.03 33.31 3ky7 n LYS 102 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ky7 s ALA 103 N -2.93 2.57 -2.00 7.82 0.00 -0.71 -4.93 121.76 121.58 3ky7 s ALA 103 Ca -0.04 0.86 0.26 0.00 0.00 0.00 0.00 51.96 53.03 3ky7 s ALA 103 Cb 0.09 -3.39 0.75 0.00 0.00 0.00 0.00 23.12 20.56 3ky7 s ALA 103 CO 0.82 -1.05 1.56 -0.25 0.00 0.00 0.00 175.76 176.84 3ky7 n ASP 104 N -1.65 1.29 -3.64 0.00 9.92 -1.26 -4.82 116.55 116.39 3ky7 n ASP 104 Ca 0.12 -1.13 -0.06 0.00 -0.53 0.00 0.00 54.79 53.19 3ky7 n ASP 104 Cb 0.51 0.13 -0.07 0.00 -0.64 0.00 0.00 41.12 41.04 3ky7 n ASP 104 CO 0.00 0.00 0.00 -2.28 0.13 0.00 0.00 177.20 175.05 3ky7 s HIS 105 N -2.36 -0.94 -0.03 1.24 2.46 -1.26 -2.44 115.29 111.97 3ky7 s HIS 105 Ca 0.27 1.90 0.02 0.00 0.47 0.00 0.00 55.06 57.72 3ky7 s HIS 105 Cb 0.20 0.55 0.01 0.00 -0.13 0.00 0.00 32.58 33.21 3ky7 s HIS 105 CO 0.47 -0.46 -0.07 0.42 -2.47 0.00 0.00 174.74 172.63 3ky7 s ILE 106 N 1.49 0.64 -0.09 0.89 1.01 -0.75 -0.56 121.20 123.82 3ky7 s ILE 106 Ca -0.09 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.33 3ky7 s ILE 106 Cb -0.05 -0.60 0.01 0.00 0.01 0.00 0.00 42.46 41.83 3ky7 s ILE 106 CO -0.18 0.22 -0.18 -0.69 0.00 0.00 0.00 174.94 174.12 3ky7 s VAL 107 N 0.38 1.58 -0.24 2.92 1.01 0.16 -1.00 120.40 125.21 3ky7 s VAL 107 Ca -0.05 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.13 3ky7 s VAL 107 Cb -0.10 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 3ky7 s VAL 107 CO 0.00 0.45 0.05 -0.36 0.00 0.00 0.00 175.10 175.24 3ky7 s PHE 108 N 0.60 3.06 -0.48 5.22 0.08 -0.14 -0.37 117.98 125.96 3ky7 s PHE 108 Ca -0.15 -0.50 -0.26 0.00 0.12 0.00 0.00 56.93 56.14 3ky7 s PHE 108 Cb -0.16 -2.20 0.03 0.00 -0.57 0.00 0.00 43.02 40.11 3ky7 s PHE 108 CO 0.05 -0.37 0.99 0.42 -0.10 0.00 0.00 175.22 176.20 3ky7 s ILE 109 N 1.52 4.39 -0.05 0.64 1.09 0.46 -1.78 121.20 127.46 3ky7 s ILE 109 Ca 0.06 0.83 0.02 0.00 -1.10 0.00 0.00 60.65 60.45 3ky7 s ILE 109 Cb -0.15 -4.49 -0.25 0.00 -1.06 0.00 0.00 42.46 36.50 3ky7 s ILE 109 CO 0.02 -0.92 0.63 0.00 -0.10 0.00 0.00 174.94 174.58 3ky7 n GLY 111 N 1.73 1.31 3.65 0.00 0.00 -1.26 -1.78 105.19 108.84 3ky7 n GLY 111 Ca -0.21 0.42 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 3ky7 n GLY 111 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3ky7 s HIS 112 N -0.31 3.35 0.10 1.61 2.46 -1.26 -4.81 115.29 116.43 3ky7 s HIS 112 Ca 0.61 0.77 0.05 0.00 0.47 0.00 0.00 55.06 56.96 3ky7 s HIS 112 Cb -0.49 -2.70 -0.03 0.00 -0.13 0.00 0.00 32.58 29.23 3ky7 s HIS 112 CO 0.53 -0.15 -0.13 0.71 -2.47 0.00 0.00 174.74 173.23 3ky7 s TYR 113 N 1.80 1.28 -0.52 3.88 2.02 -1.26 -5.00 117.35 119.55 3ky7 s TYR 113 Ca 0.24 -0.55 0.19 0.00 -0.37 0.00 0.00 57.07 56.58 3ky7 s TYR 113 Cb -0.15 -0.69 0.88 0.00 -0.40 0.00 0.00 41.96 41.60 3ky7 s TYR 113 CO 0.10 0.09 1.58 0.39 -1.57 0.00 0.00 175.55 176.13 3ky7 n GLU 114 N 0.75 0.13 -3.51 -0.62 4.71 -1.23 -4.78 120.64 116.09 3ky7 n GLU 114 Ca -0.17 0.48 -0.12 0.00 -0.01 0.00 0.00 57.16 57.34 3ky7 n GLU 114 Cb 0.56 -1.81 -0.04 0.00 -1.01 0.00 0.00 31.44 29.15 3ky7 n GLU 114 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 3ky7 s GLY 115 N -3.41 -0.46 -0.06 0.62 0.00 -1.13 -4.93 107.32 97.95 3ky7 s GLY 115 Ca 0.02 1.29 0.04 0.00 0.00 0.00 0.00 44.72 46.06 3ky7 s GLY 115 CO 0.26 0.64 -0.16 -0.19 0.00 0.00 0.00 173.10 173.66 3ky7 s TYR 116 N -2.22 1.71 0.14 1.90 2.02 -1.26 -0.82 117.35 118.83 3ky7 s TYR 116 Ca -0.01 -0.56 -0.32 0.00 -0.37 0.00 0.00 57.07 55.80 3ky7 s TYR 116 Cb -0.01 -1.18 -0.12 0.00 -0.40 0.00 0.00 41.96 40.25 3ky7 s TYR 116 CO -0.02 -0.23 1.74 -3.47 -1.57 0.00 0.00 175.55 172.00 3ky7 n ASP 117 N 3.39 3.73 0.10 2.29 -0.08 -1.01 -4.83 116.55 120.15 3ky7 n ASP 117 Ca -0.20 1.03 0.18 0.00 -1.51 0.00 0.00 54.79 54.30 3ky7 n ASP 117 Cb 0.53 -1.51 0.74 0.00 2.34 0.00 0.00 41.12 43.22 3ky7 n ASP 117 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 3ky7 h GLU 118 N 7.34 0.00 -0.02 -0.67 4.57 -1.98 -1.24 114.58 122.57 3ky7 h GLU 118 Ca -0.45 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 57.68 3ky7 h GLU 118 Cb 1.23 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.81 3ky7 h GLU 118 CO 0.94 0.00 -0.23 0.00 -1.18 0.00 0.00 179.01 178.54 3ky7 h ARG 119 N 0.00 0.03 -0.39 1.92 3.08 -1.99 0.11 114.38 117.15 3ky7 h ARG 119 Ca 0.17 -0.01 -0.15 0.00 0.07 0.00 0.00 59.98 60.06 3ky7 h ARG 119 Cb 0.76 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 3ky7 h ARG 119 CO -0.00 0.26 -0.35 0.82 -1.07 0.00 0.00 179.97 179.63 3ky7 h ILE 120 N 0.03 1.27 -0.33 2.04 2.04 -1.59 -0.82 117.51 120.16 3ky7 h ILE 120 Ca 0.00 -1.52 -0.15 0.00 1.00 0.00 0.00 64.86 64.19 3ky7 h ILE 120 Cb 0.42 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 3ky7 h ILE 120 CO 0.03 0.51 -0.41 0.03 0.00 0.00 0.00 178.15 178.31 3ky7 h ARG 121 N 0.73 0.81 0.12 2.37 3.08 -1.23 -0.70 114.38 119.56 3ky7 h ARG 121 Ca 0.07 -0.44 -0.28 0.00 0.07 0.00 0.00 59.98 59.40 3ky7 h ARG 121 Cb 0.94 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.00 3ky7 h ARG 121 CO 0.09 1.07 -1.32 1.79 -1.07 0.00 0.00 179.97 180.53 3ky7 h THR 122 N 0.66 1.41 0.00 2.04 1.35 -0.81 -3.37 112.91 114.19 3ky7 h THR 122 Ca 0.05 -3.01 -0.35 0.00 -0.55 0.00 0.00 66.41 62.55 3ky7 h THR 122 Cb 0.98 2.88 -0.07 0.00 -1.73 0.00 0.00 68.15 70.21 3ky7 h THR 122 CO 0.09 0.87 -2.31 1.41 -0.25 0.00 0.00 175.52 175.33 3ky7 n HIS 123 N -3.49 0.00 -0.10 4.73 8.25 -0.32 -4.82 115.22 119.48 3ky7 n HIS 123 Ca -0.10 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.17 3ky7 n HIS 123 Cb 1.02 -0.94 -0.06 0.00 1.12 0.00 0.00 29.99 31.13 3ky7 n HIS 123 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3ky7 n LEU 124 N -2.75 1.78 -4.74 2.41 4.77 -0.51 -5.00 117.00 112.95 3ky7 n LEU 124 Ca -0.32 0.30 -0.42 0.00 -0.03 0.00 0.00 56.01 55.55 3ky7 n LEU 124 Cb 1.10 -0.71 -0.02 0.00 -2.33 0.00 0.00 43.42 41.46 3ky7 n LEU 124 CO 0.39 0.14 1.19 -0.69 -1.33 0.00 0.00 177.39 177.10 3ky7 s VAL 125 N -2.60 2.36 -0.05 4.08 1.01 -0.39 -4.62 120.40 120.19 3ky7 s VAL 125 Ca -0.30 0.29 0.12 0.00 0.00 0.00 0.00 61.98 62.09 3ky7 s VAL 125 Cb 0.09 -3.19 -0.18 0.00 0.00 0.00 0.00 36.38 33.10 3ky7 s VAL 125 CO 0.41 0.04 0.20 0.35 0.00 0.00 0.00 175.10 176.10 3ky7 n THR 126 N 2.49 0.29 -3.82 3.92 -2.24 0.45 -4.81 114.28 110.57 3ky7 n THR 126 Ca 0.08 -0.37 -0.12 0.00 -2.27 0.00 0.00 64.05 61.37 3ky7 n THR 126 Cb 0.39 -0.11 -0.12 0.00 -2.10 0.00 0.00 70.33 68.39 3ky7 n THR 126 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3ky7 s ASP 127 N -3.83 -0.16 -0.14 3.42 1.01 -0.81 -4.96 116.67 111.20 3ky7 s ASP 127 Ca -0.05 0.29 0.02 0.00 0.71 0.00 0.00 52.55 53.52 3ky7 s ASP 127 Cb 0.07 0.34 0.01 0.00 1.01 0.00 0.00 42.92 44.35 3ky7 s ASP 127 CO 0.52 -0.10 -0.21 -1.61 0.21 0.00 0.00 175.17 173.98 3ky7 s GLU 128 N -0.08 3.06 -0.01 8.23 2.02 -1.26 -1.79 118.70 128.88 3ky7 s GLU 128 Ca -0.02 -0.83 0.01 0.00 0.02 0.00 0.00 54.97 54.15 3ky7 s GLU 128 Cb -0.02 -2.47 0.00 0.00 0.10 0.00 0.00 34.13 31.74 3ky7 s GLU 128 CO 0.00 0.00 -0.02 0.42 0.02 0.00 0.00 175.26 175.69 3ky7 s ILE 129 N 0.79 0.18 0.37 -1.63 1.01 -0.63 -2.09 121.20 119.21 3ky7 s ILE 129 Ca -0.07 -0.07 0.08 0.00 0.00 0.00 0.00 60.65 60.58 3ky7 s ILE 129 Cb -0.16 -0.18 -0.04 0.00 0.01 0.00 0.00 42.46 42.10 3ky7 s ILE 129 CO -0.01 0.07 0.21 -0.55 0.00 0.00 0.00 174.94 174.66 3ky7 s SER 130 N 0.11 4.76 -0.16 3.58 0.15 -0.62 -4.32 113.70 117.20 3ky7 s SER 130 Ca -0.01 -0.81 0.16 0.00 0.70 0.00 0.00 55.95 55.99 3ky7 s SER 130 Cb -0.03 -0.66 -0.23 0.00 -1.71 0.00 0.00 66.02 63.39 3ky7 s SER 130 CO -0.00 -0.43 0.10 0.23 1.20 0.00 0.00 173.24 174.34 3ky7 n MET 131 N -1.27 1.03 0.00 5.44 0.00 -1.26 -0.37 117.12 120.69 3ky7 n MET 131 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 57.70 57.66 3ky7 n MET 131 Cb 0.62 -1.46 0.00 0.00 0.00 0.00 0.00 33.22 32.38 3ky7 n MET 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3ky7 n GLY 132 N 1.84 -0.06 0.00 3.03 0.00 -1.26 -4.51 105.19 104.24 3ky7 n GLY 132 Ca -0.26 -1.14 0.02 0.00 0.00 0.00 0.00 46.02 44.65 3ky7 n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ky7 n ASP 133 N 0.00 0.00 -4.83 1.61 5.75 -1.26 -4.68 116.55 113.14 3ky7 n ASP 133 Ca 0.00 0.26 -0.33 0.00 -0.01 0.00 0.00 54.79 54.72 3ky7 n ASP 133 Cb 0.00 -0.32 -0.06 0.00 -1.03 0.00 0.00 41.12 39.71 3ky7 n ASP 133 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 3ky7 s TYR 134 N -2.63 3.34 -0.19 2.11 1.13 -1.26 -5.05 117.35 114.79 3ky7 s TYR 134 Ca 0.04 1.56 -0.08 0.00 -1.41 0.00 0.00 57.07 57.18 3ky7 s TYR 134 Cb 0.03 -2.82 -0.04 0.00 -1.10 0.00 0.00 41.96 38.02 3ky7 s TYR 134 CO 0.07 -0.14 0.09 0.14 -2.51 0.00 0.00 175.55 173.19 3ky7 s VAL 135 N -2.24 5.01 0.23 -3.49 -7.23 -1.26 -4.88 120.40 106.53 3ky7 s VAL 135 Ca 0.61 0.04 0.07 0.00 -1.81 0.00 0.00 61.98 60.90 3ky7 s VAL 135 Cb -0.09 -3.26 -0.04 0.00 0.56 0.00 0.00 36.38 33.55 3ky7 s VAL 135 CO 0.16 0.46 0.13 -0.76 -0.31 0.00 0.00 175.10 174.78 3ky7 s LEU 136 N 0.34 3.64 0.23 1.32 1.43 -1.26 -5.05 118.68 119.33 3ky7 s LEU 136 Ca 0.05 -0.32 0.11 0.00 -1.03 0.00 0.00 54.13 52.94 3ky7 s LEU 136 Cb -0.12 -2.20 0.16 0.00 0.03 0.00 0.00 46.19 44.06 3ky7 s LEU 136 CO -0.01 0.00 1.49 0.74 0.23 0.00 0.00 176.35 178.80 3ky7 h THR 137 N 1.77 1.40 -3.53 5.49 2.02 -2.03 -3.48 112.91 114.56 3ky7 h THR 137 Ca -0.47 -2.54 -0.06 0.00 0.77 0.00 0.00 66.41 64.11 3ky7 h THR 137 Cb 1.23 2.41 -0.07 0.00 -1.74 0.00 0.00 68.15 69.98 3ky7 h THR 137 CO 0.61 0.70 -0.03 -0.83 0.37 0.00 0.00 175.52 176.34 3ky7 s GLY 138 N -4.54 0.52 0.00 2.16 0.00 -1.26 -4.73 107.32 99.47 3ky7 s GLY 138 Ca 0.00 -0.84 0.23 0.00 0.00 0.00 0.00 44.72 44.12 3ky7 s GLY 138 CO 0.77 -0.54 1.34 0.61 0.00 0.00 0.00 173.10 175.28 3ky7 n GLY 139 N -0.43 1.45 0.13 0.20 0.00 -0.73 -4.54 105.19 101.27 3ky7 n GLY 139 Ca -0.02 -0.71 -0.16 0.00 0.00 0.00 0.00 46.02 45.12 3ky7 n GLY 139 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3ky7 h GLU 140 N 4.50 0.35 0.06 1.61 9.09 -1.96 -1.90 114.58 126.33 3ky7 h GLU 140 Ca 0.00 -0.32 0.01 0.00 0.05 0.00 0.00 59.36 59.10 3ky7 h GLU 140 Cb 0.98 0.08 -0.02 0.00 -1.65 0.00 0.00 28.75 28.14 3ky7 h GLU 140 CO 0.00 0.98 -0.14 -0.07 0.05 0.00 0.00 179.01 179.83 3ky7 h LEU 141 N -0.17 -0.39 -0.88 3.06 3.38 -1.96 -0.89 115.31 117.45 3ky7 h LEU 141 Ca -0.04 0.05 0.13 0.00 0.09 0.00 0.00 57.88 58.11 3ky7 h LEU 141 Cb 1.10 0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.92 3ky7 h LEU 141 CO 0.08 -0.20 0.50 -0.65 0.09 0.00 0.00 178.44 178.25 3ky7 h PRO 142 N -0.27 0.73 -0.64 1.13 0.11 -1.81 0.23 132.00 131.49 3ky7 h PRO 142 Ca 0.03 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.05 3ky7 h PRO 142 Cb 0.30 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.21 3ky7 h PRO 142 CO -0.10 0.49 0.23 0.00 -0.21 0.00 0.00 178.00 178.41 3ky7 h ALA 143 N 1.53 1.20 -0.27 -0.75 0.00 -0.70 -0.63 119.26 119.63 3ky7 h ALA 143 Ca 0.46 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 55.02 3ky7 h ALA 143 Cb 0.54 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3ky7 h ALA 143 CO -0.31 0.57 -0.46 0.52 0.00 0.00 0.00 179.25 179.57 3ky7 h MET 144 N 0.93 0.79 -0.05 0.00 2.86 0.05 -1.64 114.93 117.87 3ky7 h MET 144 Ca 0.21 -0.49 -0.00 0.00 -2.06 0.00 0.00 59.70 57.37 3ky7 h MET 144 Cb 0.22 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 3ky7 h MET 144 CO -0.01 1.12 0.03 1.15 1.06 0.00 0.00 176.91 180.25 3ky7 h THR 145 N 0.54 1.05 -0.46 2.22 2.02 -0.80 -1.97 112.91 115.50 3ky7 h THR 145 Ca 0.02 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 3ky7 h THR 145 Cb 1.06 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 3ky7 h THR 145 CO 0.10 0.04 0.17 0.24 0.37 0.00 0.00 175.52 176.45 3ky7 h MET 146 N 0.03 0.66 -0.49 6.66 2.86 -1.10 -2.39 114.93 121.16 3ky7 h MET 146 Ca 0.02 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 3ky7 h MET 146 Cb 0.04 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 3ky7 h MET 146 CO -0.00 0.56 0.29 1.15 1.06 0.00 0.00 176.91 179.97 3ky7 h THR 147 N 0.66 1.15 0.07 2.22 2.02 -0.94 -1.40 112.91 116.68 3ky7 h THR 147 Ca 0.16 -0.35 0.03 0.00 0.77 0.00 0.00 66.41 67.01 3ky7 h THR 147 Cb 0.16 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 67.02 3ky7 h THR 147 CO -0.01 0.16 -0.30 -0.78 0.37 0.00 0.00 175.52 174.96 3ky7 h ASP 148 N 0.66 -0.87 -0.84 4.18 3.58 -0.86 0.19 116.42 122.45 3ky7 h ASP 148 Ca 0.18 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.74 3ky7 h ASP 148 Cb -0.00 0.34 -0.04 0.00 1.72 0.00 0.00 39.33 41.35 3ky7 h ASP 148 CO -0.03 -0.38 0.54 0.00 -2.88 0.00 0.00 179.24 176.49 3ky7 h ALA 149 N 0.23 1.36 -0.10 -0.78 0.00 -1.28 -2.15 119.26 116.55 3ky7 h ALA 149 Ca 0.04 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 3ky7 h ALA 149 Cb 0.54 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3ky7 h ALA 149 CO -0.21 0.57 -0.41 0.82 0.00 0.00 0.00 179.25 180.03 3ky7 h ILE 150 N 1.15 1.39 0.33 0.00 2.04 -0.89 -3.27 117.51 118.25 3ky7 h ILE 150 Ca 0.31 -1.75 -0.02 0.00 1.00 0.00 0.00 64.86 64.40 3ky7 h ILE 150 Cb -0.10 2.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 3ky7 h ILE 150 CO -0.06 0.52 -0.16 0.58 0.00 0.00 0.00 178.15 179.03 3ky7 h VAL 151 N 0.02 0.69 0.00 1.67 2.07 -0.48 -2.62 116.25 117.60 3ky7 h VAL 151 Ca -0.02 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.14 3ky7 h VAL 151 Cb 1.05 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 3ky7 h VAL 151 CO 0.09 0.07 0.00 -2.11 0.02 0.00 0.00 177.57 175.64 3ky7 n ARG 152 N -5.20 0.17 0.00 1.57 -4.01 -0.82 0.94 116.66 109.32 3ky7 n ARG 152 Ca -0.10 0.00 0.06 0.00 -1.04 0.00 0.00 57.85 56.77 3ky7 n ARG 152 Cb 0.25 -1.47 0.04 0.00 -3.04 0.00 0.00 32.46 28.23 3ky7 n ARG 152 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 3ky7 n LEU 153 N -0.97 1.87 0.00 2.89 0.00 -0.99 -4.94 117.00 114.85 3ky7 n LEU 153 Ca 0.04 -0.93 -0.14 0.00 0.00 0.00 0.00 56.01 54.98 3ky7 n LEU 153 Cb 0.02 0.00 0.12 0.00 0.00 0.00 0.00 43.42 43.56 3ky7 n LEU 153 CO 0.03 0.35 0.24 -0.38 0.00 0.00 0.00 177.39 177.63 3ky7 n ILE 154 N 0.45 0.00 -2.95 1.96 5.41 0.27 -4.92 119.36 119.57 3ky7 n ILE 154 Ca 0.07 -0.14 -0.44 0.00 1.00 0.00 0.00 62.75 63.24 3ky7 n ILE 154 Cb 0.31 -0.86 -0.03 0.00 -0.71 0.00 0.00 39.64 38.35 3ky7 n ILE 154 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 3ky7 s PRO 155 N -4.08 3.30 0.00 0.38 0.02 -1.26 -5.07 135.00 128.29 3ky7 s PRO 155 Ca 0.32 -1.33 0.00 0.00 0.02 0.00 0.00 61.00 60.01 3ky7 s PRO 155 Cb -0.04 -4.50 0.00 0.00 0.02 0.00 0.00 34.50 29.98 3ky7 s PRO 155 CO 0.25 -1.73 0.00 0.41 -0.33 0.00 0.00 177.00 175.60 3ky7 n GLY 156 N 5.34 0.07 3.51 0.52 0.00 -1.26 -5.15 105.19 108.22 3ky7 n GLY 156 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 3ky7 n GLY 156 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ky7 s SER 170 N -0.11 3.90 -0.19 1.61 0.01 -1.26 -5.05 113.70 112.61 3ky7 s SER 170 Ca 0.00 -0.76 0.16 0.00 1.31 0.00 0.00 55.95 56.66 3ky7 s SER 170 Cb 0.00 -0.51 0.66 0.00 0.21 0.00 0.00 66.02 66.38 3ky7 s SER 170 CO 0.00 0.09 1.57 -0.90 0.41 0.00 0.00 173.24 174.41 3ky7 n ASP 171 N -0.10 4.68 0.00 2.44 5.75 -1.26 -4.90 116.55 123.17 3ky7 n ASP 171 Ca -0.10 -2.90 0.00 0.00 -0.01 0.00 0.00 54.79 51.78 3ky7 n ASP 171 Cb 0.57 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 3ky7 n ASP 171 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ky7 n GLY 172 N 0.12 1.29 3.50 6.12 0.00 -1.26 -5.04 105.19 109.92 3ky7 n GLY 172 Ca 0.24 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 3ky7 n GLY 172 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ky7 s LEU 173 N 0.00 2.65 0.80 0.99 1.43 -1.26 -4.78 118.68 118.52 3ky7 s LEU 173 Ca 0.00 -1.14 -0.11 0.00 -1.03 0.00 0.00 54.13 51.86 3ky7 s LEU 173 Cb 0.00 -0.97 0.08 0.00 0.03 0.00 0.00 46.19 45.32 3ky7 s LEU 173 CO 0.00 -0.15 1.11 -0.76 0.23 0.00 0.00 176.35 176.78 3ky7 s LEU 174 N -3.55 3.00 0.64 1.79 1.43 -1.26 -4.98 118.68 115.76 3ky7 s LEU 174 Ca 0.31 1.92 -0.14 0.00 -1.03 0.00 0.00 54.13 55.19 3ky7 s LEU 174 Cb 0.00 -4.53 -0.02 0.00 0.03 0.00 0.00 46.19 41.67 3ky7 s LEU 174 CO 0.15 -2.27 1.06 -1.61 0.23 0.00 0.00 176.35 173.91 3ky7 s GLU 175 N -4.81 3.13 0.37 1.70 2.02 -1.26 -4.67 118.70 115.17 3ky7 s GLU 175 Ca 0.63 1.12 -0.26 0.00 0.02 0.00 0.00 54.97 56.48 3ky7 s GLU 175 Cb -0.19 -2.01 -0.09 0.00 0.10 0.00 0.00 34.13 31.94 3ky7 s GLU 175 CO 0.56 -0.96 1.09 -0.59 0.02 0.00 0.00 175.26 175.38 3ky7 s PHE 176 N -2.68 3.30 0.41 1.61 -0.12 -1.26 -4.69 117.98 114.55 3ky7 s PHE 176 Ca 0.62 1.64 -0.26 0.00 -0.05 0.00 0.00 56.93 58.87 3ky7 s PHE 176 Cb -0.15 -3.23 -0.09 0.00 -0.63 0.00 0.00 43.02 38.92 3ky7 s PHE 176 CO 0.44 -0.76 1.32 -1.25 -0.05 0.00 0.00 175.22 174.92 3ky7 s PRO 177 N -2.17 3.96 0.09 1.99 0.04 -1.26 -5.04 135.00 132.60 3ky7 s PRO 177 Ca 0.54 2.19 0.10 0.00 0.04 0.00 0.00 61.00 63.87 3ky7 s PRO 177 Cb -0.27 -2.76 -0.04 0.00 0.04 0.00 0.00 34.50 31.48 3ky7 s PRO 177 CO 0.34 -0.51 -0.26 -0.65 0.04 0.00 0.00 177.00 175.95 3ky7 s GLN 178 N -2.24 1.61 0.03 4.56 -0.21 -1.26 -5.07 119.66 117.07 3ky7 s GLN 178 Ca 0.57 -1.23 0.02 0.00 0.02 0.00 0.00 55.36 54.73 3ky7 s GLN 178 Cb -0.39 -1.96 -0.02 0.00 1.00 0.00 0.00 33.01 31.65 3ky7 s GLN 178 CO 0.50 0.48 -0.06 0.71 -2.12 0.00 0.00 175.29 174.80 3ky7 s TYR 179 N -0.96 0.52 0.33 0.91 2.02 -1.26 -5.17 117.35 113.74 3ky7 s TYR 179 Ca 0.13 -0.41 0.05 0.00 -0.37 0.00 0.00 57.07 56.48 3ky7 s TYR 179 Cb -0.10 -0.32 -0.02 0.00 -0.40 0.00 0.00 41.96 41.12 3ky7 s TYR 179 CO 0.05 -0.09 0.20 -2.37 -1.57 0.00 0.00 175.55 171.77 3ky7 n THR 180 N 1.83 0.00 -1.66 -0.71 5.66 -1.26 -5.14 114.28 113.00 3ky7 n THR 180 Ca -0.21 -2.17 -0.35 0.00 -3.05 0.00 0.00 64.05 58.28 3ky7 n THR 180 Cb 0.56 0.95 0.07 0.00 -1.55 0.00 0.00 70.33 70.35 3ky7 n THR 180 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 3ky7 s ARG 181 N -3.30 2.49 0.57 1.09 3.00 -1.26 -4.59 118.95 116.95 3ky7 s ARG 181 Ca 0.28 1.76 -0.07 0.00 0.00 0.00 0.00 55.73 57.70 3ky7 s ARG 181 Cb 0.01 -1.88 -0.01 0.00 0.00 0.00 0.00 34.95 33.08 3ky7 s ARG 181 CO 0.20 -1.57 0.90 -1.25 0.00 0.00 0.00 175.30 173.58 3ky7 s PRO 182 N -3.72 3.19 0.25 3.54 0.04 -1.26 -5.09 135.00 131.95 3ky7 s PRO 182 Ca 0.75 0.20 -0.06 0.00 0.04 0.00 0.00 61.00 61.93 3ky7 s PRO 182 Cb -0.29 -2.25 0.27 0.00 0.04 0.00 0.00 34.50 32.26 3ky7 s PRO 182 CO 0.41 -0.57 1.92 -0.09 0.04 0.00 0.00 177.00 178.71 3ky7 h ARG 183 N -0.12 1.28 -5.07 4.56 2.43 -1.93 -3.41 114.38 112.12 3ky7 h ARG 183 Ca -0.46 -0.08 -0.56 0.00 -0.81 0.00 0.00 59.98 58.08 3ky7 h ARG 183 Cb 1.23 -0.29 -0.32 0.00 -0.42 0.00 0.00 29.97 30.17 3ky7 h ARG 183 CO 0.61 0.85 -0.83 -2.00 -1.51 0.00 0.00 179.97 177.09 3ky7 s GLU 184 N -6.11 1.85 -0.23 0.20 2.12 -1.26 -1.07 118.70 114.20 3ky7 s GLU 184 Ca -0.13 -0.57 -0.03 0.00 0.36 0.00 0.00 54.97 54.60 3ky7 s GLU 184 Cb 0.18 -1.56 0.11 0.00 0.26 0.00 0.00 34.13 33.12 3ky7 s GLU 184 CO 0.82 0.17 0.27 0.12 -0.54 0.00 0.00 175.26 176.10 3ky7 s PHE 185 N 0.24 -0.43 -1.53 5.30 2.19 -0.41 -4.86 117.98 118.48 3ky7 s PHE 185 Ca -0.08 0.28 0.00 0.00 0.33 0.00 0.00 56.93 57.46 3ky7 s PHE 185 Cb -0.13 -0.30 0.00 0.00 -1.31 0.00 0.00 43.02 41.28 3ky7 s PHE 185 CO 0.03 -0.69 0.00 1.17 1.83 0.00 0.00 175.22 177.56 3ky7 n LYS 186 N 5.33 -1.42 -0.68 10.12 4.81 -1.26 -0.73 118.16 134.32 3ky7 n LYS 186 Ca -0.04 0.86 0.00 0.00 -0.87 0.00 0.00 58.31 58.26 3ky7 n LYS 186 Cb 0.49 -5.36 0.00 0.00 0.02 0.00 0.00 35.03 30.18 3ky7 n LYS 186 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ky7 n GLY 187 N -1.02 0.76 3.38 3.14 0.00 -1.26 -5.02 105.19 105.17 3ky7 n GLY 187 Ca -0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 3ky7 n GLY 187 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ky7 s LEU 188 N 0.00 4.84 -0.12 0.99 1.43 0.09 -5.07 118.68 120.84 3ky7 s LEU 188 Ca 0.00 -1.04 -0.06 0.00 -1.03 0.00 0.00 54.13 52.00 3ky7 s LEU 188 Cb 0.00 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 3ky7 s LEU 188 CO 0.00 -0.42 0.11 -0.89 0.23 0.00 0.00 176.35 175.38 3ky7 s THR 189 N 1.56 5.23 0.23 5.49 2.01 -1.26 -1.29 115.64 127.61 3ky7 s THR 189 Ca 0.02 0.10 -0.30 0.00 0.31 0.00 0.00 61.69 61.83 3ky7 s THR 189 Cb -0.20 -3.28 -0.09 0.00 0.01 0.00 0.00 72.50 68.95 3ky7 s THR 189 CO 0.07 0.59 1.20 -0.69 -0.69 0.00 0.00 174.62 175.11 3ky7 s VAL 190 N -0.81 3.38 0.06 3.82 1.01 -0.24 -4.93 120.40 122.69 3ky7 s VAL 190 Ca 0.13 1.24 -0.37 0.00 0.00 0.00 0.00 61.98 62.98 3ky7 s VAL 190 Cb -0.12 -3.79 -0.17 0.00 0.00 0.00 0.00 36.38 32.30 3ky7 s VAL 190 CO 0.03 0.23 1.32 -2.65 0.00 0.00 0.00 175.10 174.03 3ky7 n PRO 191 N 1.98 0.98 -0.27 2.72 -0.02 -1.26 -4.85 135.00 134.27 3ky7 n PRO 191 Ca 0.03 0.35 0.14 0.00 -2.02 0.00 0.00 63.50 62.00 3ky7 n PRO 191 Cb 0.44 -1.98 0.40 0.00 -0.02 0.00 0.00 33.50 32.35 3ky7 n PRO 191 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3ky7 h ASP 192 N 4.44 0.61 -0.56 2.55 3.32 -2.00 -2.28 116.42 122.51 3ky7 h ASP 192 Ca -0.48 0.05 0.14 0.00 0.02 0.00 0.00 57.03 56.76 3ky7 h ASP 192 Cb 1.35 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.80 3ky7 h ASP 192 CO 0.77 0.28 0.39 1.62 -1.72 0.00 0.00 179.24 180.58 3ky7 h VAL 193 N 0.63 0.78 0.00 -1.35 3.04 -1.98 -0.66 116.25 116.70 3ky7 h VAL 193 Ca 0.47 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 66.12 3ky7 h VAL 193 Cb 0.86 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 30.78 3ky7 h VAL 193 CO -0.22 0.02 0.00 -0.07 -1.01 0.00 0.00 177.57 176.29 3ky7 h LEU 194 N 0.13 0.00 -2.23 3.16 3.38 -1.77 -2.24 115.31 115.74 3ky7 h LEU 194 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3ky7 h LEU 194 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3ky7 h LEU 194 CO -0.03 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.68 3ky7 n LEU 195 N -3.00 3.16 0.12 1.67 4.32 -0.26 -4.53 117.00 118.48 3ky7 n LEU 195 Ca 0.01 -1.44 0.13 0.00 -0.02 0.00 0.00 56.01 54.69 3ky7 n LEU 195 Cb 0.31 -0.19 0.37 0.00 -1.62 0.00 0.00 43.42 42.29 3ky7 n LEU 195 CO 0.27 0.67 0.87 0.77 -1.22 0.00 0.00 177.39 178.75 3ky7 h SER 196 N 3.92 0.00 0.00 -1.43 4.64 -1.33 -3.47 113.55 115.89 3ky7 h SER 196 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ky7 h SER 196 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 3ky7 h SER 196 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3ky7 n GLY 197 N 1.28 0.41 3.29 -0.77 0.00 -1.26 -4.97 105.19 103.18 3ky7 n GLY 197 Ca 0.05 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.62 3ky7 n GLY 197 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ky7 s ASN 198 N -2.19 6.15 0.36 1.61 3.84 -1.26 -4.94 114.94 118.51 3ky7 s ASN 198 Ca 0.00 -1.90 0.08 0.00 0.21 0.00 0.00 52.86 51.26 3ky7 s ASN 198 Cb 0.00 -2.18 0.69 0.00 -0.55 0.00 0.00 41.25 39.21 3ky7 s ASN 198 CO 0.00 -0.81 1.86 0.45 -2.79 0.00 0.00 177.10 175.81 3ky7 h HIS 199 N 8.71 0.28 -0.63 0.43 3.86 -1.95 -1.36 115.15 124.49 3ky7 h HIS 199 Ca -0.25 -0.04 -0.07 0.00 -1.16 0.00 0.00 60.37 58.85 3ky7 h HIS 199 Cb 1.09 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 29.46 3ky7 h HIS 199 CO 0.74 0.44 0.11 0.00 0.86 0.00 0.00 177.93 180.08 3ky7 h ALA 200 N 1.57 1.01 -0.14 2.45 0.00 -1.99 -0.66 119.26 121.49 3ky7 h ALA 200 Ca 0.04 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 3ky7 h ALA 200 Cb 0.48 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3ky7 h ALA 200 CO 0.03 0.63 -0.58 -0.91 0.00 0.00 0.00 179.25 178.42 3ky7 h ASN 201 N 0.96 0.50 -0.17 0.00 2.35 -1.86 -1.46 115.58 115.90 3ky7 h ASN 201 Ca 0.19 -0.28 -0.03 0.00 -0.55 0.00 0.00 56.30 55.63 3ky7 h ASN 201 Cb 0.40 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 3ky7 h ASN 201 CO 0.01 0.97 -0.01 0.40 -1.65 0.00 0.00 177.43 177.15 3ky7 h ILE 202 N 0.34 1.27 -0.49 2.81 2.04 -1.10 -0.80 117.51 121.58 3ky7 h ILE 202 Ca -0.00 -0.91 -0.02 0.00 1.00 0.00 0.00 64.86 64.93 3ky7 h ILE 202 Cb 1.11 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.69 3ky7 h ILE 202 CO 0.10 0.27 0.24 0.44 0.00 0.00 0.00 178.15 179.20 3ky7 h ASP 203 N 0.05 0.63 -0.38 1.72 3.32 -1.06 -1.11 116.42 119.59 3ky7 h ASP 203 Ca 0.05 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 3ky7 h ASP 203 Cb 0.42 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3ky7 h ASP 203 CO 0.01 0.58 0.21 0.00 -1.72 0.00 0.00 179.24 178.32 3ky7 h ALA 204 N 1.08 0.49 -0.57 3.45 0.00 -1.23 -1.31 119.26 121.16 3ky7 h ALA 204 Ca 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3ky7 h ALA 204 Cb 0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3ky7 h ALA 204 CO -0.02 0.02 0.32 2.35 0.00 0.00 0.00 179.25 181.92 3ky7 h TRP 205 N 0.49 0.78 -0.81 0.00 7.01 -0.99 -0.26 115.95 122.16 3ky7 h TRP 205 Ca 0.13 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.10 3ky7 h TRP 205 Cb 0.06 -0.25 -0.04 0.00 -2.10 0.00 0.00 29.16 26.83 3ky7 h TRP 205 CO -0.02 0.56 0.41 0.00 -2.79 0.00 0.00 178.44 176.60 3ky7 h ARG 206 N 0.78 1.15 -0.68 2.65 3.08 -0.98 -1.13 114.38 119.25 3ky7 h ARG 206 Ca 0.20 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 60.04 3ky7 h ARG 206 Cb 0.03 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 29.83 3ky7 h ARG 206 CO -0.03 0.87 0.17 1.25 -1.07 0.00 0.00 179.97 181.15 3ky7 h HIS 207 N 1.15 1.14 -0.33 3.04 2.76 -0.67 -0.97 115.15 121.26 3ky7 h HIS 207 Ca 0.28 -0.13 -0.00 0.00 -2.20 0.00 0.00 60.37 58.32 3ky7 h HIS 207 Cb 0.08 -0.32 -0.02 0.00 1.55 0.00 0.00 27.41 28.70 3ky7 h HIS 207 CO 0.01 0.93 0.19 0.93 -1.30 0.00 0.00 177.93 178.69 3ky7 h GLU 208 N 1.01 0.45 -0.91 5.26 5.08 -0.48 -1.68 114.58 123.32 3ky7 h GLU 208 Ca 0.21 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.55 3ky7 h GLU 208 Cb 0.36 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 3ky7 h GLU 208 CO 0.00 0.36 0.60 1.96 -1.00 0.00 0.00 179.01 180.93 3ky7 h GLN 209 N 0.42 1.16 -0.58 2.33 1.08 -0.84 0.08 115.11 118.77 3ky7 h GLN 209 Ca 0.12 -0.07 0.01 0.00 -1.45 0.00 0.00 58.65 57.25 3ky7 h GLN 209 Cb 0.03 -0.26 -0.03 0.00 -0.05 0.00 0.00 27.48 27.17 3ky7 h GLN 209 CO -0.02 0.77 0.38 0.87 -0.95 0.00 0.00 178.83 179.88 3ky7 h LYS 210 N 1.19 0.76 0.12 1.46 1.57 -0.87 0.50 116.57 121.31 3ky7 h LYS 210 Ca 0.34 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.07 3ky7 h LYS 210 Cb -0.09 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.05 3ky7 h LYS 210 CO -0.09 0.51 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.17 3ky7 h LEU 211 N 0.78 -0.14 -0.37 2.94 3.38 -0.70 -2.05 115.31 119.15 3ky7 h LEU 211 Ca 0.21 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3ky7 h LEU 211 Cb -0.09 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3ky7 h LEU 211 CO -0.05 0.00 0.16 0.40 0.09 0.00 0.00 178.44 179.05 3ky7 h ILE 212 N -0.28 1.18 -0.69 1.22 2.04 -0.85 0.64 117.51 120.77 3ky7 h ILE 212 Ca -0.02 -0.53 -0.05 0.00 1.00 0.00 0.00 64.86 65.25 3ky7 h ILE 212 Cb 0.22 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 3ky7 h ILE 212 CO 0.03 0.19 0.22 0.03 0.00 0.00 0.00 178.15 178.62 3ky7 h ARG 213 N 0.46 1.07 -0.55 2.37 3.08 -0.92 -0.99 114.38 118.91 3ky7 h ARG 213 Ca 0.13 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 59.90 3ky7 h ARG 213 Cb 0.15 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3ky7 h ARG 213 CO -0.01 0.92 0.15 1.15 -1.07 0.00 0.00 179.97 181.12 3ky7 h THR 214 N 1.01 1.24 -0.48 2.04 2.02 -1.12 0.44 112.91 118.05 3ky7 h THR 214 Ca 0.22 -0.83 0.01 0.00 0.77 0.00 0.00 66.41 66.59 3ky7 h THR 214 Cb 0.30 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 3ky7 h THR 214 CO -0.01 0.31 0.30 0.22 0.37 0.00 0.00 175.52 176.71 3ky7 h TYR 215 N 0.77 0.57 -0.08 3.16 3.20 -0.55 0.46 116.97 124.50 3ky7 h TYR 215 Ca 0.17 0.02 -0.20 0.00 3.14 0.00 0.00 58.73 61.86 3ky7 h TYR 215 Cb 0.31 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.39 3ky7 h TYR 215 CO 0.02 0.34 -0.78 -0.91 -1.64 0.00 0.00 178.16 175.19 3ky7 h ASN 216 N 0.61 0.58 0.00 -2.11 2.35 -0.86 -3.36 115.58 112.79 3ky7 h ASN 216 Ca 0.18 -0.40 -0.01 0.00 -0.55 0.00 0.00 56.30 55.52 3ky7 h ASN 216 Cb -0.03 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.16 3ky7 h ASN 216 CO -0.06 1.16 -1.44 0.29 -1.65 0.00 0.00 177.43 175.73 3ky7 n LYS 217 N -3.84 0.50 -3.19 0.81 5.02 0.12 -4.78 118.16 112.79 3ky7 n LYS 217 Ca -0.05 -0.08 -0.19 0.00 -2.02 0.00 0.00 58.31 55.97 3ky7 n LYS 217 Cb 0.74 -1.22 -0.04 0.00 -0.02 0.00 0.00 35.03 34.49 3ky7 n LYS 217 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3ky7 n ARG 218 N -1.87 0.94 0.10 1.97 5.12 0.16 -4.93 116.66 118.15 3ky7 n ARG 218 Ca -0.03 -3.36 0.19 0.00 -1.93 0.00 0.00 57.85 52.72 3ky7 n ARG 218 Cb 0.29 -1.64 0.75 0.00 -1.16 0.00 0.00 32.46 30.71 3ky7 n ARG 218 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3ky7 h PRO 219 N 3.14 0.00 -0.49 5.56 0.13 -1.63 0.13 132.00 138.85 3ky7 h PRO 219 Ca 0.10 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3ky7 h PRO 219 Cb 0.96 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.06 3ky7 h PRO 219 CO 0.50 0.00 0.29 0.38 -0.23 0.00 0.00 178.00 178.93 3ky7 h ASP 220 N 0.00 0.58 0.44 1.44 2.03 -1.92 -2.06 116.42 116.94 3ky7 h ASP 220 Ca 0.18 -0.03 -0.11 0.00 -0.73 0.00 0.00 57.03 56.34 3ky7 h ASP 220 Cb 0.89 -0.15 -0.01 0.00 -0.83 0.00 0.00 39.33 39.23 3ky7 h ASP 220 CO -0.00 0.45 -0.52 -0.07 -1.03 0.00 0.00 179.24 178.07 3ky7 h LEU 221 N 0.67 0.09 -0.27 0.15 3.38 -1.08 -2.78 115.31 115.47 3ky7 h LEU 221 Ca 0.18 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3ky7 h LEU 221 Cb -0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3ky7 h LEU 221 CO -0.03 0.59 0.01 0.40 0.09 0.00 0.00 178.44 179.49 3ky7 h ILE 222 N 0.06 1.25 -0.20 1.22 1.08 -1.31 -2.13 117.51 117.48 3ky7 h ILE 222 Ca -0.00 -0.90 0.06 0.00 -0.39 0.00 0.00 64.86 63.63 3ky7 h ILE 222 Cb 0.93 1.31 -0.01 0.00 -3.07 0.00 0.00 36.82 35.99 3ky7 h ILE 222 CO 0.07 0.28 0.22 -0.33 -0.69 0.00 0.00 178.15 177.70 3ky7 h GLU 223 N 0.26 0.00 -0.54 2.37 4.39 -1.19 -1.43 114.58 118.44 3ky7 h GLU 223 Ca 0.08 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.57 3ky7 h GLU 223 Cb 0.41 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 28.93 3ky7 h GLU 223 CO 0.01 0.00 0.15 0.36 -1.16 0.00 0.00 179.01 178.37 3ky7 n LYS 224 N -3.84 2.59 -4.79 2.33 0.00 -0.84 -4.93 118.16 108.68 3ky7 n LYS 224 Ca 0.02 -3.06 -0.33 0.00 -0.00 0.00 0.00 58.31 54.94 3ky7 n LYS 224 Cb 0.34 -1.98 -0.13 0.00 -0.00 0.00 0.00 35.03 33.26 3ky7 n LYS 224 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 3ky7 s TYR 225 N -3.11 2.79 -1.20 5.58 5.04 -0.54 -5.05 117.35 120.86 3ky7 s TYR 225 Ca 0.49 -0.31 -0.19 0.00 -2.44 0.00 0.00 57.07 54.62 3ky7 s TYR 225 Cb 0.41 -1.73 0.07 0.00 0.35 0.00 0.00 41.96 41.07 3ky7 s TYR 225 CO 0.07 0.06 1.61 -1.25 -1.34 0.00 0.00 175.55 174.70 3ky7 s PRO 226 N -0.32 3.87 0.23 4.97 0.04 -1.26 -4.98 135.00 137.55 3ky7 s PRO 226 Ca 0.03 -1.77 -0.31 0.00 0.04 0.00 0.00 61.00 58.99 3ky7 s PRO 226 Cb -0.13 -5.43 -0.11 0.00 0.04 0.00 0.00 34.50 28.87 3ky7 s PRO 226 CO 0.03 -2.19 1.56 -0.51 0.04 0.00 0.00 177.00 175.92 3ky7 s LEU 227 N 4.21 4.37 0.62 -3.56 1.43 -1.26 -5.02 118.68 119.47 3ky7 s LEU 227 Ca 0.50 2.75 -0.02 0.00 -1.03 0.00 0.00 54.13 56.34 3ky7 s LEU 227 Cb 0.02 -3.61 0.05 0.00 0.03 0.00 0.00 46.19 42.68 3ky7 s LEU 227 CO 0.02 -0.83 0.88 0.42 0.23 0.00 0.00 176.35 177.07 3ky7 s THR 228 N 0.50 2.47 0.28 5.49 -4.23 -1.26 -4.91 115.64 113.98 3ky7 s THR 228 Ca 0.66 -0.53 -0.04 0.00 -1.18 0.00 0.00 61.69 60.60 3ky7 s THR 228 Cb -0.45 -2.95 0.24 0.00 1.34 0.00 0.00 72.50 70.68 3ky7 s THR 228 CO 0.39 0.00 1.93 0.78 -0.54 0.00 0.00 174.62 177.18 3ky7 h ASN 229 N -0.23 1.01 -0.19 3.99 2.35 -2.00 -1.19 115.58 119.32 3ky7 h ASN 229 Ca -0.42 -0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.18 3ky7 h ASN 229 Cb 1.30 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 39.40 3ky7 h ASN 229 CO 0.53 0.77 -0.18 0.00 -1.65 0.00 0.00 177.43 176.90 3ky7 h ALA 230 N 1.41 1.06 -0.52 -0.83 0.00 -1.99 -1.58 119.26 116.81 3ky7 h ALA 230 Ca 0.30 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3ky7 h ALA 230 Cb -0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3ky7 h ALA 230 CO -0.06 0.57 0.21 -0.44 0.00 0.00 0.00 179.25 179.54 3ky7 h ASP 231 N 0.56 0.72 -0.42 0.00 3.32 -1.62 -1.77 116.42 117.21 3ky7 h ASP 231 Ca 0.09 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 3ky7 h ASP 231 Cb 0.62 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 3ky7 h ASP 231 CO 0.04 0.69 0.17 0.11 -1.72 0.00 0.00 179.24 178.53 3ky7 h LYS 232 N 0.71 0.69 -0.32 3.56 1.57 -0.91 -2.24 116.57 119.62 3ky7 h LYS 232 Ca 0.18 -0.10 -0.11 0.00 -1.87 0.00 0.00 60.65 58.74 3ky7 h LYS 232 Cb 0.19 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3ky7 h LYS 232 CO -0.02 0.59 -0.26 0.37 -0.57 0.00 0.00 179.45 179.56 3ky7 h GLN 233 N 0.68 0.65 -0.16 3.15 4.15 -0.93 0.57 115.11 123.22 3ky7 h GLN 233 Ca 0.16 -0.27 -0.01 0.00 0.77 0.00 0.00 58.65 59.31 3ky7 h GLN 233 Cb 0.17 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 3ky7 h GLN 233 CO -0.01 0.85 0.07 0.82 -1.93 0.00 0.00 178.83 178.62 3ky7 h ILE 234 N 0.56 1.15 -0.31 2.39 2.04 -0.90 -0.73 117.51 121.71 3ky7 h ILE 234 Ca 0.08 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.46 3ky7 h ILE 234 Cb 0.74 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 3ky7 h ILE 234 CO 0.06 0.14 0.08 -0.07 0.00 0.00 0.00 178.15 178.36 3ky7 h LEU 235 N 0.11 0.47 -0.44 1.44 3.38 -1.34 -1.17 115.31 117.76 3ky7 h LEU 235 Ca 0.05 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 57.86 3ky7 h LEU 235 Cb 0.16 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 3ky7 h LEU 235 CO -0.00 0.57 0.12 -0.08 0.09 0.00 0.00 178.44 179.13 3ky7 h GLU 236 N 0.34 0.26 0.00 1.13 4.81 -0.75 -0.67 114.58 119.69 3ky7 h GLU 236 Ca 0.10 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.22 3ky7 h GLU 236 Cb 0.28 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 3ky7 h GLU 236 CO -0.00 0.17 -0.42 0.07 -0.73 0.00 0.00 179.01 178.10 3ky7 h ARG 237 N 0.26 0.00 0.38 1.92 0.11 -1.01 -2.49 114.38 113.56 3ky7 h ARG 237 Ca 0.21 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.27 3ky7 h ARG 237 Cb 0.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.32 3ky7 h ARG 237 CO -0.25 0.42 -0.18 -0.92 0.10 0.00 0.00 179.97 179.14 3ky7 h TYR 238 N 0.00 -0.47 -0.42 4.08 3.20 -0.40 -0.69 116.97 122.28 3ky7 h TYR 238 Ca -0.00 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.93 3ky7 h TYR 238 Cb 1.09 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.49 3ky7 h TYR 238 CO 0.00 -0.18 0.29 1.57 -1.64 0.00 0.00 178.16 178.19 3ky7 h LYS 239 N -0.71 0.24 0.00 1.82 2.10 -1.05 0.07 116.57 119.04 3ky7 h LYS 239 Ca -0.05 -0.01 -0.09 0.00 -2.00 0.00 0.00 60.65 58.49 3ky7 h LYS 239 Cb 0.50 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.76 3ky7 h LYS 239 CO 0.09 0.16 -0.43 0.82 -2.00 0.00 0.00 179.45 178.08 3ky7 h ILE 240 N 0.25 1.15 0.00 0.07 2.04 -1.01 -2.42 117.51 117.58 3ky7 h ILE 240 Ca 0.19 -1.56 -0.07 0.00 1.00 0.00 0.00 64.86 64.42 3ky7 h ILE 240 Cb 0.43 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 3ky7 h ILE 240 CO -0.04 0.42 -0.34 1.23 0.00 0.00 0.00 178.15 179.42 3ky7 h GLY 241 N 1.62 0.00 1.83 5.37 0.00 0.56 -2.76 103.07 109.68 3ky7 h GLY 241 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 3ky7 h GLY 241 CO 0.06 0.00 -0.90 1.41 0.00 0.00 0.00 176.54 177.11 3ky7 h LEU 242 N 0.00 0.20 0.00 3.11 3.38 -0.99 -3.51 115.31 117.50 3ky7 h LEU 242 Ca -0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3ky7 h LEU 242 Cb 0.79 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3ky7 h LEU 242 CO 0.04 0.99 0.00 0.29 0.09 0.00 0.00 178.44 179.86