#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g98 h ALA 2 N 0.00 0.89 0.35 0.00 0.00 -1.95 -3.30 119.26 115.25 1g98 h ALA 2 Ca 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1g98 h ALA 2 Cb 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1g98 h ALA 2 CO 0.00 0.65 -0.51 1.25 0.00 0.00 0.00 179.25 180.65 1g98 h LEU 3 N 0.93 -1.45 -2.58 0.00 5.85 -1.86 -1.95 115.31 114.26 1g98 h LEU 3 Ca 0.17 0.13 0.00 0.00 0.84 0.00 0.00 57.88 59.02 1g98 h LEU 3 Cb 0.55 0.50 0.00 0.00 0.37 0.00 0.00 40.66 42.08 1g98 h LEU 3 CO 0.03 -0.61 0.09 0.00 -0.34 0.00 0.00 178.44 177.60 1g98 h THR 4 N -0.89 0.00 0.00 1.05 1.03 -1.95 0.18 112.91 112.32 1g98 h THR 4 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.36 1g98 h THR 4 Cb 0.81 0.86 0.00 0.00 -1.07 0.00 0.00 68.15 68.75 1g98 h THR 4 CO -0.15 0.00 -0.69 -1.14 -0.01 0.00 0.00 175.52 173.53 1g98 n ARG 5 N -2.94 0.11 -2.26 0.00 0.00 -0.89 -4.80 116.66 105.88 1g98 n ARG 5 Ca -0.03 0.01 -0.42 0.00 -0.00 0.00 0.00 57.85 57.42 1g98 n ARG 5 Cb 0.15 -1.55 -0.03 0.00 0.00 0.00 0.00 32.46 31.03 1g98 n ARG 5 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1g98 s ASN 6 N -3.41 6.92 0.18 6.15 2.47 0.62 -4.95 114.94 122.93 1g98 s ASN 6 Ca 0.08 2.21 -0.13 0.00 0.42 0.00 0.00 52.86 55.44 1g98 s ASN 6 Cb 0.16 -2.58 0.08 0.00 -1.45 0.00 0.00 41.25 37.46 1g98 s ASN 6 CO 0.74 -0.58 1.84 -0.65 -3.72 0.00 0.00 177.10 174.73 1g98 h PRO 7 N 6.76 0.77 -0.08 0.43 0.11 -1.91 -2.41 132.00 135.68 1g98 h PRO 7 Ca -0.42 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 1g98 h PRO 7 Cb 1.21 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1g98 h PRO 7 CO 0.84 0.52 -0.21 1.96 -0.21 0.00 0.00 178.00 180.91 1g98 h GLN 8 N 0.79 0.13 -0.20 1.05 7.50 -1.93 -2.21 115.11 120.24 1g98 h GLN 8 Ca 0.21 -0.04 -0.10 0.00 0.50 0.00 0.00 58.65 59.22 1g98 h GLN 8 Cb -0.07 -0.02 -0.00 0.00 0.05 0.00 0.00 27.48 27.44 1g98 h GLN 8 CO -0.04 0.34 -0.28 0.35 -1.50 0.00 0.00 178.83 177.70 1g98 h PHE 9 N 0.13 0.66 -0.68 2.96 3.57 -1.76 -2.32 116.94 119.50 1g98 h PHE 9 Ca 0.02 -0.22 -0.03 0.00 3.53 0.00 0.00 57.97 61.28 1g98 h PHE 9 Cb 0.44 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 1g98 h PHE 9 CO 0.00 0.93 0.32 1.96 -2.23 0.00 0.00 178.31 179.29 1g98 h GLN 10 N 0.21 0.97 -0.54 1.11 1.08 -1.20 0.21 115.11 116.95 1g98 h GLN 10 Ca 0.02 -0.13 -0.04 0.00 -1.45 0.00 0.00 58.65 57.05 1g98 h GLN 10 Cb 0.85 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 28.08 1g98 h GLN 10 CO 0.07 0.75 0.19 -0.22 -0.95 0.00 0.00 178.83 178.67 1g98 h LYS 11 N 0.96 0.82 -0.20 1.46 3.64 -1.37 0.26 116.57 122.15 1g98 h LYS 11 Ca 0.24 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1g98 h LYS 11 Cb 0.11 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1g98 h LYS 11 CO -0.03 0.74 0.05 1.25 -2.27 0.00 0.00 179.45 179.19 1g98 h LEU 12 N 0.74 0.31 -0.64 5.20 5.85 -0.84 -0.90 115.31 125.04 1g98 h LEU 12 Ca 0.18 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.68 1g98 h LEU 12 Cb 0.25 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1g98 h LEU 12 CO -0.01 0.47 0.40 -0.61 -0.34 0.00 0.00 178.44 178.35 1g98 h GLN 13 N 0.14 0.76 -0.04 1.25 4.15 -0.34 -0.59 115.11 120.44 1g98 h GLN 13 Ca 0.06 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 1g98 h GLN 13 Cb 0.28 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 27.80 1g98 h GLN 13 CO 0.00 0.51 0.02 0.37 -1.93 0.00 0.00 178.83 177.80 1g98 h GLN 14 N 0.79 0.05 -0.83 1.69 5.75 -0.31 -1.17 115.11 121.08 1g98 h GLN 14 Ca 0.25 -0.01 0.06 0.00 -0.15 0.00 0.00 58.65 58.80 1g98 h GLN 14 Cb -0.00 -0.01 -0.06 0.00 1.07 0.00 0.00 27.48 28.48 1g98 h GLN 14 CO -0.09 0.11 0.51 2.35 -2.65 0.00 0.00 178.83 179.06 1g98 h TRP 15 N -0.02 0.95 -0.40 3.99 7.01 -0.79 -1.57 115.95 125.12 1g98 h TRP 15 Ca 0.01 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.01 1g98 h TRP 15 Cb 0.08 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 26.81 1g98 h TRP 15 CO -0.05 0.49 0.11 1.25 -2.79 0.00 0.00 178.44 177.46 1g98 h HIS 16 N 0.95 0.65 -0.76 2.65 2.76 -0.86 -1.14 115.15 119.40 1g98 h HIS 16 Ca 0.36 -0.07 0.04 0.00 -2.20 0.00 0.00 60.37 58.50 1g98 h HIS 16 Cb 0.15 -0.19 -0.04 0.00 1.55 0.00 0.00 27.41 28.88 1g98 h HIS 16 CO -0.04 0.62 0.50 0.00 -1.30 0.00 0.00 177.93 177.71 1g98 h ARG 17 N 0.50 0.88 0.00 5.26 -0.00 -0.58 0.69 114.38 121.12 1g98 h ARG 17 Ca 0.13 -0.05 0.00 0.00 -0.50 0.00 0.00 59.98 59.55 1g98 h ARG 17 Cb 0.28 -0.20 0.00 0.00 0.00 0.00 0.00 29.97 30.05 1g98 h ARG 17 CO -0.00 0.58 -0.77 1.05 0.00 0.00 0.00 179.97 180.84 1g98 h GLU 18 N 0.91 0.00 0.00 0.04 4.11 -1.06 -3.43 114.58 115.15 1g98 h GLU 18 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.74 1g98 h GLU 18 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1g98 h GLU 18 CO -0.09 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.71 1g98 n HIS 19 N -2.28 0.00 -0.35 2.06 8.25 -0.45 -4.97 115.22 117.47 1g98 n HIS 19 Ca 0.02 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.44 1g98 n HIS 19 Cb 0.47 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.57 1g98 n HIS 19 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1g98 n GLY 20 N 0.00 -2.01 0.00 -1.41 0.00 0.24 0.56 105.19 102.57 1g98 n GLY 20 Ca 0.00 1.02 0.05 0.00 0.00 0.00 0.00 46.02 47.09 1g98 n GLY 20 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1g98 n SER 21 N -5.23 0.00 0.10 1.61 3.41 -1.26 -2.55 113.62 109.70 1g98 n SER 21 Ca 0.06 0.17 0.12 0.00 -0.26 0.00 0.00 58.87 58.96 1g98 n SER 21 Cb 0.31 -0.31 0.10 0.00 -0.26 0.00 0.00 64.21 64.05 1g98 n SER 21 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1g98 h GLU 22 N 0.00 0.00 -6.63 4.33 4.39 -0.25 -3.46 114.58 112.95 1g98 h GLU 22 Ca 0.00 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.17 1g98 h GLU 22 Cb 0.11 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 28.80 1g98 h GLU 22 CO 0.00 0.00 0.85 -0.51 -1.16 0.00 0.00 179.01 178.19 1g98 s LEU 23 N -5.03 4.37 -0.10 1.33 1.43 -1.06 -5.00 118.68 114.62 1g98 s LEU 23 Ca 0.03 2.61 -0.02 0.00 -1.03 0.00 0.00 54.13 55.72 1g98 s LEU 23 Cb 0.10 -3.60 0.04 0.00 0.03 0.00 0.00 46.19 42.76 1g98 s LEU 23 CO 0.74 -0.79 0.02 0.21 0.23 0.00 0.00 176.35 176.77 1g98 s ASN 24 N 0.99 1.82 0.11 2.29 3.84 -1.26 -5.06 114.94 117.66 1g98 s ASN 24 Ca 0.68 -0.24 -0.30 0.00 0.21 0.00 0.00 52.86 53.21 1g98 s ASN 24 Cb -0.43 -0.40 -0.09 0.00 -0.55 0.00 0.00 41.25 39.77 1g98 s ASN 24 CO 0.34 -0.24 1.60 -0.07 -2.79 0.00 0.00 177.10 175.94 1g98 h LEU 25 N 8.34 -1.13 -1.10 3.21 3.38 -1.90 0.27 115.31 126.37 1g98 h LEU 25 Ca -0.17 0.13 0.18 0.00 0.09 0.00 0.00 57.88 58.10 1g98 h LEU 25 Cb 1.13 0.42 -0.10 0.00 0.09 0.00 0.00 40.66 42.20 1g98 h LEU 25 CO 0.26 -0.47 0.61 -0.09 0.09 0.00 0.00 178.44 178.85 1g98 h ARG 26 N -0.63 0.72 -0.08 1.13 2.43 -1.93 0.68 114.38 116.70 1g98 h ARG 26 Ca 0.02 -0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 58.96 1g98 h ARG 26 Cb 0.65 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1g98 h ARG 26 CO -0.22 0.47 -0.75 1.25 -1.51 0.00 0.00 179.97 179.21 1g98 h HIS 27 N 0.74 0.63 -0.65 2.20 2.76 -1.84 -1.43 115.15 117.56 1g98 h HIS 27 Ca 0.55 -0.28 -0.07 0.00 -2.20 0.00 0.00 60.37 58.36 1g98 h HIS 27 Cb 0.88 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 29.72 1g98 h HIS 27 CO -0.00 1.06 0.12 -0.07 -1.30 0.00 0.00 177.93 177.73 1g98 h LEU 28 N 0.31 1.03 -0.19 0.26 3.38 0.12 -1.65 115.31 118.56 1g98 h LEU 28 Ca -0.04 -0.26 -0.22 0.00 0.09 0.00 0.00 57.88 57.45 1g98 h LEU 28 Cb 1.34 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1g98 h LEU 28 CO 0.13 1.02 -0.90 -0.26 0.09 0.00 0.00 178.44 178.53 1g98 h PHE 29 N 0.99 0.71 0.00 1.13 -1.00 -1.07 -2.33 116.94 115.37 1g98 h PHE 29 Ca 0.20 -0.36 -0.03 0.00 2.81 0.00 0.00 57.97 60.59 1g98 h PHE 29 Cb 0.42 -0.09 -0.00 0.00 3.61 0.00 0.00 35.95 39.89 1g98 h PHE 29 CO 0.03 1.18 -0.13 -0.44 -1.61 0.00 0.00 178.31 177.34 1g98 h ASP 30 N 0.30 0.00 -0.01 2.17 3.45 -1.09 -2.79 116.42 118.45 1g98 h ASP 30 Ca -0.07 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.39 1g98 h ASP 30 Cb 1.52 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.29 1g98 h ASP 30 CO 0.16 0.13 -0.69 0.35 -1.57 0.00 0.00 179.24 177.63 1g98 n THR 31 N -3.57 0.00 -3.77 0.35 -2.24 -0.64 -4.88 114.28 99.53 1g98 n THR 31 Ca -0.01 -0.16 -0.25 0.00 -2.27 0.00 0.00 64.05 61.36 1g98 n THR 31 Cb 0.27 1.09 -0.17 0.00 -2.10 0.00 0.00 70.33 69.42 1g98 n THR 31 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1g98 s ASP 32 N -2.53 2.11 0.10 3.42 3.68 -0.88 -4.99 116.67 117.58 1g98 s ASP 32 Ca 0.11 -0.37 0.26 0.00 2.13 0.00 0.00 52.55 54.67 1g98 s ASP 32 Cb 0.15 -0.53 0.62 0.00 -1.45 0.00 0.00 42.92 41.71 1g98 s ASP 32 CO 0.65 -0.23 1.54 0.29 0.13 0.00 0.00 175.17 177.56 1g98 n LYS 33 N 5.09 0.18 -0.41 4.34 4.76 -1.26 -3.72 118.16 127.15 1g98 n LYS 33 Ca -0.08 0.09 0.08 0.00 -2.87 0.00 0.00 58.31 55.53 1g98 n LYS 33 Cb 0.49 -1.65 0.27 0.00 -1.84 0.00 0.00 35.03 32.30 1g98 n LYS 33 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1g98 n GLU 34 N -1.93 3.18 0.09 1.97 -0.58 -1.26 -4.68 120.64 117.43 1g98 n GLU 34 Ca 0.05 -2.57 -0.12 0.00 -0.42 0.00 0.00 57.16 54.09 1g98 n GLU 34 Cb 0.40 -1.63 -0.05 0.00 -0.57 0.00 0.00 31.44 29.58 1g98 n GLU 34 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1g98 h ARG 35 N 3.02 -0.37 -0.21 3.49 2.43 -1.93 -0.56 114.38 120.26 1g98 h ARG 35 Ca 0.00 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.25 1g98 h ARG 35 Cb 1.15 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 30.73 1g98 h ARG 35 CO 0.12 -0.24 -0.17 0.35 -1.51 0.00 0.00 179.97 178.52 1g98 h PHE 36 N -0.38 -0.43 -0.66 2.20 3.57 -1.89 0.27 116.94 119.62 1g98 h PHE 36 Ca 0.04 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.62 1g98 h PHE 36 Cb 0.42 0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.34 1g98 h PHE 36 CO -0.22 -0.24 0.44 -0.91 -2.23 0.00 0.00 178.31 175.15 1g98 h ASN 37 N -0.17 0.61 1.62 0.41 2.35 -1.84 -2.25 115.58 116.30 1g98 h ASN 37 Ca 0.12 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1g98 h ASN 37 Cb 0.36 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.60 1g98 h ASN 37 CO -0.31 0.40 -0.38 0.45 -1.65 0.00 0.00 177.43 175.94 1g98 h HIS 38 N 0.69 0.00 -0.98 1.19 3.86 0.19 -3.36 115.15 116.74 1g98 h HIS 38 Ca 0.28 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.99 1g98 h HIS 38 Cb 0.23 0.00 -0.42 0.00 1.06 0.00 0.00 27.41 28.28 1g98 h HIS 38 CO -0.00 0.04 -0.87 1.19 0.86 0.00 0.00 177.93 179.15 1g98 n PHE 39 N -2.96 2.62 -3.98 2.45 3.01 0.83 -5.03 117.46 114.39 1g98 n PHE 39 Ca 0.02 -2.55 -0.08 0.00 1.01 0.00 0.00 57.45 55.85 1g98 n PHE 39 Cb 0.55 -0.25 -0.09 0.00 -0.01 0.00 0.00 39.48 39.68 1g98 n PHE 39 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1g98 s SER 40 N -3.56 0.30 -0.04 4.37 1.04 -0.95 -1.47 113.70 113.38 1g98 s SER 40 Ca 0.45 -0.73 -0.01 0.00 0.48 0.00 0.00 55.95 56.13 1g98 s SER 40 Cb 0.40 0.23 0.03 0.00 0.10 0.00 0.00 66.02 66.78 1g98 s SER 40 CO -0.04 -0.56 0.07 -0.22 0.98 0.00 0.00 173.24 173.46 1g98 s LEU 41 N -2.51 0.64 -0.14 2.42 2.96 0.08 -4.98 118.68 117.15 1g98 s LEU 41 Ca 0.01 0.11 -0.05 0.00 -0.22 0.00 0.00 54.13 53.98 1g98 s LEU 41 Cb 0.03 0.00 -0.04 0.00 0.50 0.00 0.00 46.19 46.68 1g98 s LEU 41 CO -0.08 -0.18 0.02 -0.89 -1.32 0.00 0.00 176.35 173.91 1g98 s THR 42 N 1.52 4.46 -0.17 3.68 2.01 -1.26 -0.24 115.64 125.64 1g98 s THR 42 Ca -0.04 -0.17 0.01 0.00 0.31 0.00 0.00 61.69 61.81 1g98 s THR 42 Cb -0.12 -2.95 0.01 0.00 0.01 0.00 0.00 72.50 69.45 1g98 s THR 42 CO -0.04 0.52 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.46 1g98 s LEU 43 N -0.08 2.18 -0.38 4.42 1.43 0.73 -4.97 118.68 122.00 1g98 s LEU 43 Ca 0.05 -0.62 -0.12 0.00 -1.03 0.00 0.00 54.13 52.42 1g98 s LEU 43 Cb -0.12 -1.49 0.03 0.00 0.03 0.00 0.00 46.19 44.63 1g98 s LEU 43 CO 0.02 0.02 0.22 0.21 0.23 0.00 0.00 176.35 177.05 1g98 s ASN 44 N 1.15 5.80 0.00 2.29 3.04 -1.26 -0.48 114.94 125.49 1g98 s ASN 44 Ca 0.01 -0.98 0.27 0.00 0.04 0.00 0.00 52.86 52.20 1g98 s ASN 44 Cb -0.14 -2.05 0.87 0.00 -1.54 0.00 0.00 41.25 38.39 1g98 s ASN 44 CO -0.09 -0.40 1.64 0.35 -3.04 0.00 0.00 177.10 175.56 1g98 n THR 45 N 5.03 0.00 -0.80 -5.21 -2.24 -0.82 -4.90 114.28 105.34 1g98 n THR 45 Ca -0.12 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1g98 n THR 45 Cb 0.46 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 1g98 n THR 45 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1g98 n ASN 46 N -0.34 0.00 -1.29 3.42 5.03 -1.26 -4.73 115.26 116.09 1g98 n ASN 46 Ca 0.15 0.00 0.04 0.00 0.87 0.00 0.00 54.58 55.64 1g98 n ASN 46 Cb 0.35 -0.27 0.04 0.00 -1.02 0.00 0.00 39.78 38.87 1g98 n ASN 46 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1g98 n HIS 47 N -2.00 0.00 0.00 3.10 8.25 -1.26 -5.09 115.22 118.22 1g98 n HIS 47 Ca 0.00 -0.55 0.00 0.00 -0.26 0.00 0.00 57.72 56.91 1g98 n HIS 47 Cb 0.00 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 30.96 1g98 n HIS 47 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1g98 n GLY 48 N 0.27 3.89 3.80 -1.41 0.00 -1.26 -4.79 105.19 105.69 1g98 n GLY 48 Ca 0.07 -1.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.16 1g98 n GLY 48 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1g98 s HIS 49 N -2.30 3.21 -0.14 1.61 0.09 -1.26 -1.95 115.29 114.55 1g98 s HIS 49 Ca 0.00 0.06 -0.01 0.00 -0.00 0.00 0.00 55.06 55.11 1g98 s HIS 49 Cb 0.00 -1.59 0.04 0.00 -0.00 0.00 0.00 32.58 31.02 1g98 s HIS 49 CO 0.00 0.52 -0.05 0.42 -0.00 0.00 0.00 174.74 175.63 1g98 s ILE 50 N -1.55 1.00 -0.25 0.60 1.01 0.37 -1.66 121.20 120.72 1g98 s ILE 50 Ca 0.31 -0.45 -0.09 0.00 0.00 0.00 0.00 60.65 60.41 1g98 s ILE 50 Cb -0.11 -1.14 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 1g98 s ILE 50 CO 0.23 0.20 0.12 -0.22 0.00 0.00 0.00 174.94 175.27 1g98 s LEU 51 N 1.69 3.71 -0.46 2.97 2.96 0.12 -0.20 118.68 129.47 1g98 s LEU 51 Ca 0.02 -0.10 -0.09 0.00 -0.22 0.00 0.00 54.13 53.75 1g98 s LEU 51 Cb -0.14 -2.01 0.12 0.00 0.50 0.00 0.00 46.19 44.66 1g98 s LEU 51 CO -0.08 -0.02 0.33 -0.22 -1.32 0.00 0.00 176.35 175.05 1g98 s LEU 52 N 1.54 5.64 -0.53 -0.68 2.96 0.66 -1.45 118.68 126.82 1g98 s LEU 52 Ca 0.06 -1.89 -0.18 0.00 -0.22 0.00 0.00 54.13 51.91 1g98 s LEU 52 Cb -0.15 -2.00 0.09 0.00 0.50 0.00 0.00 46.19 44.62 1g98 s LEU 52 CO 0.06 -0.68 0.59 -0.62 -1.32 0.00 0.00 176.35 174.39 1g98 s ASP 53 N 2.59 6.19 -0.27 3.68 2.15 -0.08 -0.74 116.67 130.19 1g98 s ASP 53 Ca 0.06 -1.28 0.12 0.00 0.43 0.00 0.00 52.55 51.87 1g98 s ASP 53 Cb -0.26 -2.26 0.58 0.00 -0.30 0.00 0.00 42.92 40.68 1g98 s ASP 53 CO -0.01 -0.91 1.56 0.00 -0.17 0.00 0.00 175.17 175.64 1g98 n TYR 54 N 5.91 1.48 0.16 -5.34 0.18 -0.54 -1.56 117.16 117.45 1g98 n TYR 54 Ca -0.10 -1.26 0.03 0.00 1.88 0.00 0.00 57.90 58.45 1g98 n TYR 54 Cb 0.43 -0.50 0.22 0.00 -0.38 0.00 0.00 39.34 39.11 1g98 n TYR 54 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 1g98 h SER 55 N 1.67 0.00 -0.18 9.48 4.64 -1.57 -3.20 113.55 124.39 1g98 h SER 55 Ca 0.18 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.38 1g98 h SER 55 Cb 1.82 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.86 1g98 h SER 55 CO 0.46 0.48 0.16 0.29 -0.87 0.00 0.00 176.83 177.35 1g98 n LYS 56 N -3.49 1.30 -4.30 4.77 5.02 -1.26 -4.83 118.16 115.37 1g98 n LYS 56 Ca 0.00 -0.59 -0.28 0.00 -2.02 0.00 0.00 58.31 55.42 1g98 n LYS 56 Cb 0.60 -1.23 -0.10 0.00 -0.02 0.00 0.00 35.03 34.28 1g98 n LYS 56 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1g98 s ASN 57 N 1.22 4.08 -1.24 4.39 0.01 -1.21 -1.10 114.94 121.09 1g98 s ASN 57 Ca 0.12 -0.59 -0.13 0.00 -0.71 0.00 0.00 52.86 51.54 1g98 s ASN 57 Cb 0.09 -0.63 -0.05 0.00 0.41 0.00 0.00 41.25 41.07 1g98 s ASN 57 CO 0.00 0.13 2.32 0.18 -1.51 0.00 0.00 177.10 178.22 1g98 n LEU 58 N 0.32 6.34 -4.12 0.60 4.77 -1.26 -4.84 117.00 118.80 1g98 n LEU 58 Ca -0.12 -3.68 -0.08 0.00 -0.03 0.00 0.00 56.01 52.10 1g98 n LEU 58 Cb 0.54 -1.40 -0.10 0.00 -2.33 0.00 0.00 43.42 40.13 1g98 n LEU 58 CO 0.33 0.92 -0.33 0.68 -1.33 0.00 0.00 177.39 177.65 1g98 s VAL 59 N 3.40 0.19 0.31 4.08 -7.23 -1.26 -5.04 120.40 114.84 1g98 s VAL 59 Ca 0.54 -1.86 0.03 0.00 -1.81 0.00 0.00 61.98 58.87 1g98 s VAL 59 Cb 0.14 -1.78 -0.04 0.00 0.56 0.00 0.00 36.38 35.26 1g98 s VAL 59 CO -0.02 -0.74 0.11 0.42 -0.31 0.00 0.00 175.10 174.56 1g98 s THR 60 N -3.97 0.61 0.28 5.32 -4.23 -1.26 -5.00 115.64 107.39 1g98 s THR 60 Ca 0.15 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.67 1g98 s THR 60 Cb 0.08 -2.58 0.28 0.00 1.34 0.00 0.00 72.50 71.62 1g98 s THR 60 CO -0.04 0.00 1.84 -0.33 -0.54 0.00 0.00 174.62 175.55 1g98 h GLU 61 N 2.19 0.98 -0.53 3.99 5.08 -1.99 -1.60 114.58 122.70 1g98 h GLU 61 Ca -0.37 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 57.90 1g98 h GLU 61 Cb 1.25 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 1g98 h GLU 61 CO 0.59 0.65 0.19 1.49 -1.00 0.00 0.00 179.01 180.93 1g98 h GLU 62 N 1.01 0.82 -0.23 2.33 4.81 -1.99 -1.15 114.58 120.18 1g98 h GLU 62 Ca 0.49 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 1g98 h GLU 62 Cb 0.46 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1g98 h GLU 62 CO -0.25 0.74 0.09 0.28 -0.73 0.00 0.00 179.01 179.13 1g98 h VAL 63 N 0.73 1.17 -0.87 0.32 2.07 -1.74 -1.11 116.25 116.82 1g98 h VAL 63 Ca 0.17 -0.52 0.02 0.00 0.82 0.00 0.00 66.70 67.19 1g98 h VAL 63 Cb 0.25 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 1g98 h VAL 63 CO -0.01 0.17 0.58 0.24 0.02 0.00 0.00 177.57 178.57 1g98 h MET 64 N 0.21 1.11 -0.22 1.57 2.86 -1.19 0.84 114.93 120.12 1g98 h MET 64 Ca 0.08 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1g98 h MET 64 Cb 0.19 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 1g98 h MET 64 CO -0.01 0.74 0.10 1.25 1.06 0.00 0.00 176.91 180.05 1g98 h HIS 65 N 1.15 0.32 -0.86 -0.22 6.17 -0.86 -0.18 115.15 120.66 1g98 h HIS 65 Ca 0.33 -0.02 -0.03 0.00 0.71 0.00 0.00 60.37 61.36 1g98 h HIS 65 Cb -0.08 -0.10 -0.04 0.00 2.52 0.00 0.00 27.41 29.71 1g98 h HIS 65 CO -0.00 0.33 0.43 0.52 0.71 0.00 0.00 177.93 179.92 1g98 h MET 66 N 0.22 1.24 -0.61 5.26 2.86 -0.49 -0.56 114.93 122.84 1g98 h MET 66 Ca 0.07 -0.18 -0.04 0.00 -2.06 0.00 0.00 59.70 57.50 1g98 h MET 66 Cb 0.14 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 1g98 h MET 66 CO -0.01 0.94 0.21 -0.07 1.06 0.00 0.00 176.91 179.04 1g98 h LEU 67 N 1.23 0.87 -0.79 1.22 3.38 -0.60 -1.77 115.31 118.84 1g98 h LEU 67 Ca 0.30 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 1g98 h LEU 67 Cb 0.10 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1g98 h LEU 67 CO -0.04 0.83 -0.51 -0.07 0.09 0.00 0.00 178.44 178.74 1g98 h LEU 68 N 0.86 0.26 -0.89 1.67 3.38 -0.69 -2.03 115.31 117.87 1g98 h LEU 68 Ca 0.20 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1g98 h LEU 68 Cb 0.26 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1g98 h LEU 68 CO -0.01 0.73 0.22 0.44 0.09 0.00 0.00 178.44 179.91 1g98 h ASP 69 N 0.19 0.96 -0.34 -0.43 3.32 -0.83 -1.92 116.42 117.38 1g98 h ASP 69 Ca 0.01 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 56.85 1g98 h ASP 69 Cb 0.97 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 1g98 h ASP 69 CO 0.08 0.89 0.05 0.25 -1.72 0.00 0.00 179.24 178.80 1g98 h LEU 70 N 1.00 0.54 -0.93 1.55 5.85 -0.94 -0.13 115.31 122.25 1g98 h LEU 70 Ca 0.22 -0.26 0.06 0.00 0.84 0.00 0.00 57.88 58.74 1g98 h LEU 70 Cb 0.27 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 1g98 h LEU 70 CO -0.01 0.66 0.59 0.00 -0.34 0.00 0.00 178.44 179.34 1g98 h ALA 71 N 0.90 1.28 -0.07 1.25 0.00 -1.09 -0.38 119.26 121.15 1g98 h ALA 71 Ca 0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1g98 h ALA 71 Cb 0.36 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1g98 h ALA 71 CO 0.01 0.37 -0.02 -0.22 0.00 0.00 0.00 179.25 179.39 1g98 h LYS 72 N 1.08 0.13 0.00 0.00 3.64 -1.00 -2.53 116.57 117.89 1g98 h LYS 72 Ca 0.40 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 1g98 h LYS 72 Cb 0.16 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1g98 h LYS 72 CO -0.17 0.47 0.00 0.66 -2.27 0.00 0.00 179.45 178.14 1g98 h SER 73 N -0.21 0.00 -0.14 4.20 4.64 -0.68 -1.80 113.55 119.56 1g98 h SER 73 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1g98 h SER 73 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1g98 h SER 73 CO 0.01 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.51 1g98 n ARG 74 N -2.47 1.76 -2.11 4.77 5.12 -0.18 -4.95 116.66 118.60 1g98 n ARG 74 Ca 0.02 -1.13 -0.08 0.00 -1.93 0.00 0.00 57.85 54.73 1g98 n ARG 74 Cb 0.26 -1.42 -0.01 0.00 -1.16 0.00 0.00 32.46 30.14 1g98 n ARG 74 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1g98 n GLY 75 N 1.16 0.07 0.20 -0.13 0.00 -0.68 -4.76 105.19 101.05 1g98 n GLY 75 Ca 0.17 -0.54 -0.02 0.00 0.00 0.00 0.00 46.02 45.62 1g98 n GLY 75 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1g98 h VAL 76 N 0.00 0.66 -0.27 1.61 2.07 -1.65 -1.10 116.25 117.57 1g98 h VAL 76 Ca -0.20 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1g98 h VAL 76 Cb 1.12 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1g98 h VAL 76 CO 0.24 0.03 0.18 -0.33 0.02 0.00 0.00 177.57 177.70 1g98 h GLU 77 N 0.16 0.35 -0.82 1.57 5.08 -1.89 0.16 114.58 119.19 1g98 h GLU 77 Ca 0.25 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.54 1g98 h GLU 77 Cb 0.36 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1g98 h GLU 77 CO -0.38 0.24 0.34 0.00 -1.00 0.00 0.00 179.01 178.21 1g98 h ALA 78 N 1.09 1.06 -0.52 3.43 0.00 -1.90 -1.19 119.26 121.24 1g98 h ALA 78 Ca 0.10 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1g98 h ALA 78 Cb -0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1g98 h ALA 78 CO -0.02 0.67 0.10 0.00 0.00 0.00 0.00 179.25 180.01 1g98 h ALA 79 N 1.19 0.68 -0.30 0.00 0.00 -0.85 -1.28 119.26 118.71 1g98 h ALA 79 Ca 0.27 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1g98 h ALA 79 Cb 0.19 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1g98 h ALA 79 CO -0.03 0.40 0.13 -0.09 0.00 0.00 0.00 179.25 179.67 1g98 h ARG 80 N 0.73 0.27 -0.73 0.00 2.43 -0.27 -1.67 114.38 115.15 1g98 h ARG 80 Ca 0.16 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1g98 h ARG 80 Cb 0.37 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 1g98 h ARG 80 CO 0.01 0.18 0.37 0.93 -1.51 0.00 0.00 179.97 179.95 1g98 h GLU 81 N 0.28 1.02 -0.73 0.20 4.39 -1.00 -1.66 114.58 117.07 1g98 h GLU 81 Ca 0.13 -0.12 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 1g98 h GLU 81 Cb 0.07 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.48 1g98 h GLU 81 CO -0.11 0.77 0.35 0.77 -1.16 0.00 0.00 179.01 179.63 1g98 h SER 82 N 1.02 0.94 0.19 1.42 0.02 -0.62 -0.04 113.55 116.48 1g98 h SER 82 Ca 0.25 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1g98 h SER 82 Cb 0.06 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.36 1g98 h SER 82 CO -0.04 0.80 -0.09 -0.03 -1.14 0.00 0.00 176.83 176.33 1g98 h MET 83 N 1.04 -0.24 -0.10 3.45 1.85 -0.72 -1.67 114.93 118.55 1g98 h MET 83 Ca 0.25 0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.35 1g98 h MET 83 Cb 0.11 0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.18 1g98 h MET 83 CO -0.03 0.09 0.01 0.74 -0.40 0.00 0.00 176.91 177.32 1g98 h PHE 84 N -0.59 0.13 -0.04 1.39 -1.00 -1.12 -2.23 116.94 113.47 1g98 h PHE 84 Ca -0.03 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.75 1g98 h PHE 84 Cb 0.44 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 39.95 1g98 h PHE 84 CO 0.03 0.13 0.00 0.09 -1.61 0.00 0.00 178.31 176.96 1g98 n ASN 85 N -4.46 0.75 0.00 2.17 3.02 -0.04 -4.93 115.26 111.77 1g98 n ASN 85 Ca -0.01 -1.40 0.00 0.00 -0.03 0.00 0.00 54.58 53.13 1g98 n ASN 85 Cb 0.13 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 1g98 n ASN 85 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1g98 n GLY 86 N 1.01 0.54 3.77 7.41 0.00 -0.84 -4.47 105.19 112.62 1g98 n GLY 86 Ca 0.18 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 1g98 n GLY 86 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1g98 s GLU 87 N -0.89 3.31 -1.46 1.61 2.02 -0.63 -4.75 118.70 117.91 1g98 s GLU 87 Ca 0.00 1.57 -0.13 0.00 0.02 0.00 0.00 54.97 56.43 1g98 s GLU 87 Cb 0.00 -2.00 0.04 0.00 0.10 0.00 0.00 34.13 32.27 1g98 s GLU 87 CO 0.00 -0.87 2.26 1.63 0.02 0.00 0.00 175.26 178.29 1g98 n LYS 88 N -1.42 3.02 0.15 1.61 5.02 -1.26 -4.19 118.16 121.09 1g98 n LYS 88 Ca 0.11 -2.67 0.13 0.00 -2.02 0.00 0.00 58.31 53.86 1g98 n LYS 88 Cb 0.51 -3.21 0.53 0.00 -0.02 0.00 0.00 35.03 32.85 1g98 n LYS 88 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 1g98 h ILE 89 N 3.87 0.00 -1.09 -0.18 3.07 -1.87 -3.33 117.51 117.98 1g98 h ILE 89 Ca 0.58 -0.23 -0.69 0.00 1.55 0.00 0.00 64.86 66.06 1g98 h ILE 89 Cb 0.60 0.97 -0.10 0.00 -0.27 0.00 0.00 36.82 38.03 1g98 h ILE 89 CO 1.85 0.00 2.08 -3.20 -1.05 0.00 0.00 178.15 177.83 1g98 n ASN 90 N -2.34 4.95 -0.35 2.16 4.05 -0.72 -4.81 115.26 118.20 1g98 n ASN 90 Ca 0.01 -2.93 0.04 0.00 0.45 0.00 0.00 54.58 52.16 1g98 n ASN 90 Cb 0.21 -1.71 0.20 0.00 1.23 0.00 0.00 39.78 39.71 1g98 n ASN 90 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 177.26 174.98 1g98 h SER 91 N 7.39 0.93 0.46 1.20 4.64 -1.83 0.18 113.55 126.52 1g98 h SER 91 Ca 0.43 0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 61.65 1g98 h SER 91 Cb 0.86 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.77 1g98 h SER 91 CO 1.44 0.55 -0.57 0.71 -0.87 0.00 0.00 176.83 178.09 1g98 h THR 92 N 1.04 1.39 -0.02 2.95 1.35 -1.93 -3.07 112.91 114.61 1g98 h THR 92 Ca 0.45 -1.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.39 1g98 h THR 92 Cb 0.32 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 1g98 h THR 92 CO -0.22 0.56 -0.08 -0.62 -0.25 0.00 0.00 175.52 174.91 1g98 n GLU 93 N -3.88 1.37 -3.60 4.72 1.02 -1.17 -5.00 120.64 114.09 1g98 n GLU 93 Ca -0.02 -1.30 -0.28 0.00 -0.02 0.00 0.00 57.16 55.54 1g98 n GLU 93 Cb 0.58 -1.30 0.05 0.00 -0.02 0.00 0.00 31.44 30.75 1g98 n GLU 93 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1g98 n ASP 94 N 0.66 -5.62 -4.21 1.62 2.03 0.53 -5.01 116.55 106.56 1g98 n ASP 94 Ca 0.09 -0.95 -0.12 0.00 0.52 0.00 0.00 54.79 54.32 1g98 n ASP 94 Cb 0.39 -3.73 -0.10 0.00 -0.72 0.00 0.00 41.12 36.96 1g98 n ASP 94 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1g98 s ARG 95 N -5.65 0.96 0.79 -0.67 0.52 -0.66 -5.01 118.95 109.23 1g98 s ARG 95 Ca 0.47 -1.41 -0.10 0.00 -0.52 0.00 0.00 55.73 54.16 1g98 s ARG 95 Cb -0.15 -0.33 0.09 0.00 0.52 0.00 0.00 34.95 35.09 1g98 s ARG 95 CO 0.84 -0.02 1.14 0.00 0.02 0.00 0.00 175.30 177.27 1g98 s ALA 96 N -3.56 2.81 -0.34 2.13 0.00 -1.26 -1.76 121.76 119.78 1g98 s ALA 96 Ca 0.16 -0.87 -0.00 0.00 0.00 0.00 0.00 51.96 51.25 1g98 s ALA 96 Cb 0.05 -2.77 0.11 0.00 0.00 0.00 0.00 23.12 20.51 1g98 s ALA 96 CO -0.01 -1.65 0.15 0.08 0.00 0.00 0.00 175.76 174.33 1g98 s VAL 97 N -3.49 0.78 -0.36 0.00 1.01 -1.26 -4.38 120.40 112.70 1g98 s VAL 97 Ca 0.63 -1.63 0.11 0.00 0.00 0.00 0.00 61.98 61.09 1g98 s VAL 97 Cb -0.10 -1.58 0.45 0.00 0.00 0.00 0.00 36.38 35.15 1g98 s VAL 97 CO 0.48 -0.78 1.09 0.18 0.00 0.00 0.00 175.10 176.07 1g98 n LEU 98 N 4.48 3.59 0.28 3.92 4.77 -0.65 -4.73 117.00 128.66 1g98 n LEU 98 Ca 0.02 -4.48 0.15 0.00 -0.03 0.00 0.00 56.01 51.66 1g98 n LEU 98 Cb 0.40 -0.11 0.81 0.00 -2.33 0.00 0.00 43.42 42.19 1g98 n LEU 98 CO 0.14 1.90 1.02 1.12 -1.33 0.00 0.00 177.39 180.24 1g98 h HIS 99 N 2.59 0.00 0.00 -1.77 2.07 -1.87 -0.57 115.15 115.61 1g98 h HIS 99 Ca 0.17 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.67 1g98 h HIS 99 Cb 1.16 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.14 1g98 h HIS 99 CO 0.71 0.08 -0.06 -0.39 -3.07 0.00 0.00 177.93 175.20 1g98 h VAL 100 N 0.00 0.21 0.00 6.12 -1.51 -1.95 -2.04 116.25 117.09 1g98 h VAL 100 Ca -0.00 -0.51 -0.18 0.00 -1.23 0.00 0.00 66.70 64.78 1g98 h VAL 100 Cb 0.28 1.42 -0.03 0.00 -2.13 0.00 0.00 31.29 30.83 1g98 h VAL 100 CO 0.01 0.06 -0.84 0.00 -1.23 0.00 0.00 177.57 175.57 1g98 h ALA 101 N 1.94 0.58 -0.33 5.19 0.00 -1.47 -2.90 119.26 122.27 1g98 h ALA 101 Ca -0.00 -0.76 -0.01 0.00 0.00 0.00 0.00 54.91 54.14 1g98 h ALA 101 Cb 0.41 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1g98 h ALA 101 CO 0.01 1.05 0.17 -0.07 0.00 0.00 0.00 179.25 180.41 1g98 h LEU 102 N 0.00 0.39 -3.22 0.00 3.38 -1.34 -2.69 115.31 111.82 1g98 h LEU 102 Ca -0.01 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1g98 h LEU 102 Cb 1.52 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 42.13 1g98 h LEU 102 CO 0.11 0.33 -0.08 -2.11 0.09 0.00 0.00 178.44 176.77 1g98 n ARG 103 N -4.44 2.06 -2.34 1.13 0.00 -1.21 -4.91 116.66 106.94 1g98 n ARG 103 Ca 0.02 -2.98 -0.40 0.00 -0.00 0.00 0.00 57.85 54.49 1g98 n ARG 103 Cb 0.10 -1.75 -0.01 0.00 -0.00 0.00 0.00 32.46 30.80 1g98 n ARG 103 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1g98 n ASN 104 N -0.99 4.38 0.27 2.89 5.15 -1.02 -4.33 115.26 121.62 1g98 n ASN 104 Ca 0.25 -2.86 0.12 0.00 -0.60 0.00 0.00 54.58 51.49 1g98 n ASN 104 Cb 0.88 -1.72 0.76 0.00 -0.53 0.00 0.00 39.78 39.17 1g98 n ASN 104 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1g98 h ARG 105 N 7.84 0.00 0.00 1.20 2.47 -1.90 -1.27 114.38 122.72 1g98 h ARG 105 Ca 0.42 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.14 1g98 h ARG 105 Cb 0.85 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.17 1g98 h ARG 105 CO 1.47 0.08 0.00 0.77 0.56 0.00 0.00 179.97 182.86 1g98 h SER 106 N 0.00 0.00 -0.54 7.04 0.02 -2.00 -3.46 113.55 114.61 1g98 h SER 106 Ca -0.00 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.72 1g98 h SER 106 Cb 0.20 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.65 1g98 h SER 106 CO 0.01 0.00 -0.21 0.59 -1.14 0.00 0.00 176.83 176.08 1g98 n ASN 107 N -2.56 -5.41 -4.74 3.07 3.02 -0.48 -4.95 115.26 103.22 1g98 n ASN 107 Ca 0.03 0.28 -0.42 0.00 -0.03 0.00 0.00 54.58 54.44 1g98 n ASN 107 Cb 0.32 -3.91 -0.02 0.00 -0.61 0.00 0.00 39.78 35.56 1g98 n ASN 107 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1g98 s THR 108 N -2.07 2.06 0.30 3.41 -4.23 -1.26 -4.88 115.64 108.96 1g98 s THR 108 Ca 0.00 0.05 -0.29 0.00 -1.18 0.00 0.00 61.69 60.27 1g98 s THR 108 Cb 0.00 -3.03 -0.13 0.00 1.34 0.00 0.00 72.50 70.68 1g98 s THR 108 CO 0.00 0.01 1.25 -0.81 -0.54 0.00 0.00 174.62 174.52 1g98 n PRO 109 N 2.96 1.89 -3.74 3.99 -0.04 -1.26 -4.95 135.00 133.84 1g98 n PRO 109 Ca 0.11 0.67 -0.30 0.00 -0.04 0.00 0.00 63.50 63.94 1g98 n PRO 109 Cb 0.36 -2.21 -0.15 0.00 -0.04 0.00 0.00 33.50 31.46 1g98 n PRO 109 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1g98 s ILE 110 N -0.81 0.96 0.08 0.52 1.01 -1.26 -5.04 121.20 116.66 1g98 s ILE 110 Ca 0.60 -1.49 -0.30 0.00 0.00 0.00 0.00 60.65 59.46 1g98 s ILE 110 Cb -0.63 -1.73 -0.06 0.00 0.01 0.00 0.00 42.46 40.06 1g98 s ILE 110 CO 0.58 -0.68 1.09 -0.69 0.00 0.00 0.00 174.94 175.24 1g98 s VAL 111 N 1.54 4.24 -0.13 2.92 1.01 -1.26 -0.91 120.40 127.80 1g98 s VAL 111 Ca 0.10 1.71 -0.03 0.00 0.00 0.00 0.00 61.98 63.76 1g98 s VAL 111 Cb -0.18 -4.09 0.05 0.00 0.00 0.00 0.00 36.38 32.16 1g98 s VAL 111 CO -0.23 0.19 0.06 -0.69 0.00 0.00 0.00 175.10 174.43 1g98 s VAL 112 N 0.58 0.06 -1.30 2.92 1.01 -0.82 -4.54 120.40 118.31 1g98 s VAL 112 Ca 0.53 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.43 1g98 s VAL 112 Cb -0.27 -0.54 0.01 0.00 0.00 0.00 0.00 36.38 35.59 1g98 s VAL 112 CO 0.31 -0.09 1.02 0.47 0.00 0.00 0.00 175.10 176.80 1g98 n ASP 113 N 5.23 -3.59 0.00 3.32 10.43 -1.26 -2.21 116.55 128.47 1g98 n ASP 113 Ca -0.06 -0.64 0.00 0.00 2.57 0.00 0.00 54.79 56.66 1g98 n ASP 113 Cb 0.49 -4.83 0.00 0.00 1.84 0.00 0.00 41.12 38.62 1g98 n ASP 113 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1g98 n GLY 114 N -1.53 0.76 3.03 0.44 0.00 -1.26 -4.99 105.19 101.64 1g98 n GLY 114 Ca -0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 1g98 n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g98 s LYS 115 N -0.33 1.91 0.18 1.61 -0.14 -0.94 -5.03 119.74 116.99 1g98 s LYS 115 Ca 0.00 -0.46 -0.33 0.00 -1.36 0.00 0.00 55.97 53.82 1g98 s LYS 115 Cb 0.00 -1.63 -0.13 0.00 -1.68 0.00 0.00 37.83 34.38 1g98 s LYS 115 CO 0.00 -0.04 1.63 -3.47 -0.76 0.00 0.00 175.35 172.71 1g98 n ASP 116 N 4.09 3.43 0.02 2.83 2.03 -1.26 -1.94 116.55 125.75 1g98 n ASP 116 Ca -0.20 1.08 0.12 0.00 0.52 0.00 0.00 54.79 56.31 1g98 n ASP 116 Cb 0.51 -1.48 0.27 0.00 -0.72 0.00 0.00 41.12 39.70 1g98 n ASP 116 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1g98 n VAL 117 N 3.62 0.14 -0.36 5.18 0.24 -0.08 -4.29 118.33 122.77 1g98 n VAL 117 Ca 0.17 -0.11 -0.02 0.00 -2.04 0.00 0.00 64.34 62.34 1g98 n VAL 117 Cb 0.31 -0.00 0.12 0.00 -1.47 0.00 0.00 33.84 32.80 1g98 n VAL 117 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 1g98 h MET 118 N 0.00 1.29 -0.81 7.34 2.86 -1.90 -2.17 114.93 121.55 1g98 h MET 118 Ca 0.00 -0.08 0.08 0.00 -2.06 0.00 0.00 59.70 57.64 1g98 h MET 118 Cb 0.59 -0.29 -0.07 0.00 0.06 0.00 0.00 31.60 31.90 1g98 h MET 118 CO 0.00 0.86 0.47 -1.35 1.06 0.00 0.00 176.91 177.95 1g98 h PRO 119 N 1.33 0.78 -0.19 -0.22 0.11 -1.98 0.63 132.00 132.46 1g98 h PRO 119 Ca 0.36 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 66.24 1g98 h PRO 119 Cb -0.14 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 30.79 1g98 h PRO 119 CO -0.08 0.52 -0.60 0.93 -0.21 0.00 0.00 178.00 178.56 1g98 h GLU 120 N 0.80 0.65 0.14 1.05 4.39 -1.78 -0.81 114.58 119.02 1g98 h GLU 120 Ca 0.38 -0.43 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1g98 h GLU 120 Cb 0.30 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1g98 h GLU 120 CO -0.23 1.05 -0.07 0.28 -1.16 0.00 0.00 179.01 178.89 1g98 h VAL 121 N 0.48 0.87 0.00 3.13 2.07 -0.74 -2.27 116.25 119.79 1g98 h VAL 121 Ca -0.00 -0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 1g98 h VAL 121 Cb 1.17 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1g98 h VAL 121 CO 0.12 0.00 -0.27 0.78 0.02 0.00 0.00 177.57 178.22 1g98 h ASN 122 N -0.19 0.00 -0.42 0.57 2.35 -0.86 -2.23 115.58 114.81 1g98 h ASN 122 Ca -0.02 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.66 1g98 h ASN 122 Cb 0.14 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1g98 h ASN 122 CO 0.03 0.27 -0.03 0.50 -1.65 0.00 0.00 177.43 176.55 1g98 h LYS 123 N 0.00 0.76 -0.51 0.81 3.64 -0.78 -1.26 116.57 119.22 1g98 h LYS 123 Ca -0.00 -0.26 -0.10 0.00 -1.27 0.00 0.00 60.65 59.02 1g98 h LYS 123 Cb 0.51 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 1g98 h LYS 123 CO 0.04 0.85 -0.06 0.28 -2.27 0.00 0.00 179.45 178.29 1g98 h VAL 124 N 0.59 1.27 -0.22 2.00 2.07 -1.17 -1.48 116.25 119.31 1g98 h VAL 124 Ca 0.11 -1.18 0.01 0.00 0.82 0.00 0.00 66.70 66.46 1g98 h VAL 124 Cb 0.53 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1g98 h VAL 124 CO 0.03 0.41 0.13 -0.07 0.02 0.00 0.00 177.57 178.09 1g98 h LEU 125 N 0.80 0.21 -1.19 2.57 3.38 -1.27 0.29 115.31 120.10 1g98 h LEU 125 Ca 0.14 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.12 1g98 h LEU 125 Cb 0.60 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1g98 h LEU 125 CO 0.04 0.16 0.55 0.44 0.09 0.00 0.00 178.44 179.72 1g98 h ASP 126 N 0.27 0.95 -0.51 -0.43 3.32 -1.09 0.56 116.42 119.48 1g98 h ASP 126 Ca 0.08 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.03 1g98 h ASP 126 Cb -0.01 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 1g98 h ASP 126 CO -0.03 0.68 0.00 0.50 -1.72 0.00 0.00 179.24 178.67 1g98 h LYS 127 N 1.11 0.90 -0.47 3.56 3.64 -0.53 -1.05 116.57 123.73 1g98 h LYS 127 Ca 0.31 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1g98 h LYS 127 Cb -0.11 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.61 1g98 h LYS 127 CO -0.07 0.92 0.29 0.52 -2.27 0.00 0.00 179.45 178.84 1g98 h MET 128 N 0.76 0.64 -0.31 1.90 2.86 0.42 -1.50 114.93 119.70 1g98 h MET 128 Ca 0.14 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 1g98 h MET 128 Cb 0.52 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 1g98 h MET 128 CO 0.03 0.47 0.10 -0.22 1.06 0.00 0.00 176.91 178.34 1g98 h LYS 129 N 0.63 0.49 -0.49 1.72 3.64 -0.70 -0.87 116.57 120.99 1g98 h LYS 129 Ca 0.17 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1g98 h LYS 129 Cb -0.01 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 1g98 h LYS 129 CO -0.03 0.53 0.32 0.00 -2.27 0.00 0.00 179.45 177.99 1g98 h ALA 130 N 0.94 0.62 -0.11 5.00 0.00 -1.05 -1.16 119.26 123.50 1g98 h ALA 130 Ca 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1g98 h ALA 130 Cb 0.24 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1g98 h ALA 130 CO -0.00 0.05 0.05 0.35 0.00 0.00 0.00 179.25 179.69 1g98 h PHE 131 N 0.64 0.16 -0.16 0.00 3.57 -1.14 -2.43 116.94 117.57 1g98 h PHE 131 Ca 0.18 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 1g98 h PHE 131 Cb -0.06 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 1g98 h PHE 131 CO -0.05 0.25 -0.06 0.00 -2.23 0.00 0.00 178.31 176.22 1g98 h GLN 133 N 0.24 0.89 -0.57 0.00 5.75 -1.01 0.15 115.11 120.55 1g98 h GLN 133 Ca 0.05 -0.28 -0.04 0.00 -0.15 0.00 0.00 58.65 58.23 1g98 h GLN 133 Cb 0.26 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.70 1g98 h GLN 133 CO 0.01 0.92 0.19 0.00 -2.65 0.00 0.00 178.83 177.30 1g98 h ARG 134 N 0.75 0.88 -0.02 1.69 3.08 -0.91 0.19 114.38 120.04 1g98 h ARG 134 Ca 0.14 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1g98 h ARG 134 Cb 0.51 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 1g98 h ARG 134 CO 0.03 0.78 -0.00 0.28 -1.07 0.00 0.00 179.97 179.98 1g98 h VAL 135 N 0.80 1.29 -0.37 2.04 2.07 -1.06 0.79 116.25 121.80 1g98 h VAL 135 Ca 0.19 -0.86 -0.08 0.00 0.82 0.00 0.00 66.70 66.76 1g98 h VAL 135 Cb 0.26 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1g98 h VAL 135 CO -0.01 0.23 -0.12 0.03 0.02 0.00 0.00 177.57 177.72 1g98 h ARG 136 N -0.31 0.66 0.00 1.57 2.47 -0.66 -2.73 114.38 115.38 1g98 h ARG 136 Ca 0.01 -0.21 0.00 0.00 -1.26 0.00 0.00 59.98 58.52 1g98 h ARG 136 Cb 0.37 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.63 1g98 h ARG 136 CO 0.00 0.76 0.00 -1.13 0.56 0.00 0.00 179.97 180.16 1g98 n SER 137 N -4.17 0.05 0.00 7.04 3.41 0.05 -4.89 113.62 115.10 1g98 n SER 137 Ca 0.01 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 1g98 n SER 137 Cb 0.35 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 1g98 n SER 137 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1g98 n GLY 138 N 1.37 0.78 0.18 5.00 0.00 -0.98 -4.92 105.19 106.62 1g98 n GLY 138 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.00 1g98 n GLY 138 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1g98 h ASP 139 N 0.00 0.49 -2.85 1.61 -0.00 -1.18 -3.40 116.42 111.09 1g98 h ASP 139 Ca 0.00 -0.08 -0.56 0.00 -0.00 0.00 0.00 57.03 56.39 1g98 h ASP 139 Cb 0.00 -0.13 -0.02 0.00 -0.00 0.00 0.00 39.33 39.18 1g98 h ASP 139 CO 0.00 0.43 0.92 0.86 -0.00 0.00 0.00 179.24 181.45 1g98 s TRP 140 N -5.89 2.67 0.10 0.28 -0.11 -0.18 -5.00 118.94 110.82 1g98 s TRP 140 Ca -0.13 0.80 0.07 0.00 1.22 0.00 0.00 56.10 58.05 1g98 s TRP 140 Cb 0.10 -3.62 -0.04 0.00 -1.50 0.00 0.00 33.47 28.41 1g98 s TRP 140 CO 0.73 -2.31 -0.08 0.15 -4.62 0.00 0.00 176.95 170.83 1g98 s LYS 141 N 3.31 2.23 1.11 5.86 -0.14 -1.26 -4.23 119.74 126.61 1g98 s LYS 141 Ca 0.61 -0.98 -0.18 0.00 -1.36 0.00 0.00 55.97 54.05 1g98 s LYS 141 Cb -0.26 -2.36 0.26 0.00 -1.68 0.00 0.00 37.83 33.78 1g98 s LYS 141 CO 0.21 0.52 1.23 0.20 -0.76 0.00 0.00 175.35 176.74 1g98 s GLY 142 N -2.24 1.70 0.00 -3.33 0.00 0.12 -4.83 107.32 98.73 1g98 s GLY 142 Ca 0.22 -1.16 0.06 0.00 0.00 0.00 0.00 44.72 43.85 1g98 s GLY 142 CO 0.15 -0.29 1.12 1.58 0.00 0.00 0.00 173.10 175.66 1g98 n TYR 143 N -4.34 0.00 0.04 1.90 0.18 -1.26 -1.29 117.16 112.39 1g98 n TYR 143 Ca 0.15 0.00 0.02 0.00 1.88 0.00 0.00 57.90 59.96 1g98 n TYR 143 Cb 0.59 -0.39 0.05 0.00 -0.38 0.00 0.00 39.34 39.21 1g98 n TYR 143 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1g98 n THR 144 N -1.39 0.59 -0.42 -3.48 -2.24 -1.26 -4.99 114.28 101.09 1g98 n THR 144 Ca 0.02 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 1g98 n THR 144 Cb 0.06 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 1g98 n THR 144 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1g98 n GLY 145 N 0.09 0.79 3.92 3.38 0.00 -0.41 -5.08 105.19 107.88 1g98 n GLY 145 Ca 0.04 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 1g98 n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g98 s LYS 146 N -0.59 3.55 0.57 1.61 1.02 -1.26 -4.71 119.74 119.93 1g98 s LYS 146 Ca 0.00 -0.21 -0.14 0.00 0.02 0.00 0.00 55.97 55.64 1g98 s LYS 146 Cb 0.00 -2.70 -0.06 0.00 -0.52 0.00 0.00 37.83 34.56 1g98 s LYS 146 CO 0.00 0.23 1.01 0.95 -0.92 0.00 0.00 175.35 176.62 1g98 s THR 147 N -2.13 4.61 -0.09 2.17 -4.23 -1.26 0.10 115.64 114.80 1g98 s THR 147 Ca 0.41 1.03 -0.30 0.00 -1.18 0.00 0.00 61.69 61.66 1g98 s THR 147 Cb -0.10 -3.79 -0.02 0.00 1.34 0.00 0.00 72.50 69.93 1g98 s THR 147 CO 0.32 -0.93 1.07 -0.63 -0.54 0.00 0.00 174.62 173.92 1g98 s ILE 148 N -2.91 4.60 -0.04 2.99 -1.09 -1.26 -4.65 121.20 118.84 1g98 s ILE 148 Ca 0.57 1.89 0.14 0.00 -2.23 0.00 0.00 60.65 61.02 1g98 s ILE 148 Cb -0.11 -4.22 -0.21 0.00 -1.58 0.00 0.00 42.46 36.35 1g98 s ILE 148 CO 0.43 -0.00 0.26 0.35 -1.23 0.00 0.00 174.94 174.76 1g98 n THR 149 N 4.58 0.14 -4.20 2.92 -2.24 -0.27 -4.83 114.28 110.39 1g98 n THR 149 Ca 0.10 -0.36 -0.17 0.00 -2.27 0.00 0.00 64.05 61.35 1g98 n THR 149 Cb 0.48 0.05 -0.15 0.00 -2.10 0.00 0.00 70.33 68.60 1g98 n THR 149 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1g98 s ASP 150 N -3.77 0.77 -0.13 3.42 1.11 -1.07 -1.54 116.67 115.47 1g98 s ASP 150 Ca -0.05 -0.11 0.02 0.00 0.18 0.00 0.00 52.55 52.59 1g98 s ASP 150 Cb 0.08 -0.18 0.00 0.00 1.07 0.00 0.00 42.92 43.90 1g98 s ASP 150 CO 0.57 0.04 -0.21 -0.69 1.18 0.00 0.00 175.17 176.07 1g98 s VAL 151 N 0.15 2.26 -0.24 -1.27 1.01 0.56 -1.06 120.40 121.82 1g98 s VAL 151 Ca -0.02 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1g98 s VAL 151 Cb -0.06 -1.90 0.03 0.00 0.00 0.00 0.00 36.38 34.45 1g98 s VAL 151 CO -0.00 0.54 -0.10 -0.63 0.00 0.00 0.00 175.10 174.91 1g98 s ILE 152 N 0.62 2.51 -0.06 2.22 1.09 0.29 -0.16 121.20 127.72 1g98 s ILE 152 Ca -0.11 -1.16 -0.22 0.00 -1.10 0.00 0.00 60.65 58.05 1g98 s ILE 152 Cb -0.16 -2.28 -0.04 0.00 -1.06 0.00 0.00 42.46 38.92 1g98 s ILE 152 CO 0.03 0.22 0.66 0.21 -0.10 0.00 0.00 174.94 175.96 1g98 s ASN 153 N 1.26 6.96 -0.24 3.58 3.84 0.18 -0.44 114.94 130.09 1g98 s ASN 153 Ca -0.01 1.15 0.02 0.00 0.21 0.00 0.00 52.86 54.24 1g98 s ASN 153 Cb -0.17 -2.39 0.05 0.00 -0.55 0.00 0.00 41.25 38.19 1g98 s ASN 153 CO -0.07 -0.06 -0.11 -0.63 -2.79 0.00 0.00 177.10 173.44 1g98 s ILE 154 N 0.59 2.00 -0.01 -5.21 1.01 0.25 -0.17 121.20 119.66 1g98 s ILE 154 Ca 0.35 -1.42 -0.29 0.00 0.00 0.00 0.00 60.65 59.29 1g98 s ILE 154 Cb -0.18 -2.09 0.11 0.00 0.01 0.00 0.00 42.46 40.31 1g98 s ILE 154 CO 0.17 0.05 1.28 -0.83 0.00 0.00 0.00 174.94 175.62 1g98 s GLY 155 N 1.20 -0.28 0.04 6.18 0.00 -0.68 -1.04 107.32 112.74 1g98 s GLY 155 Ca -0.06 0.39 -0.04 0.00 0.00 0.00 0.00 44.72 45.01 1g98 s GLY 155 CO -0.07 2.44 0.06 -1.50 0.00 0.00 0.00 173.10 174.04 1g98 s ILE 156 N -2.24 0.15 0.00 0.90 2.07 -1.26 -3.82 121.20 116.99 1g98 s ILE 156 Ca 0.21 -1.21 0.00 0.00 -1.41 0.00 0.00 60.65 58.24 1g98 s ILE 156 Cb 0.02 -0.95 0.00 0.00 0.13 0.00 0.00 42.46 41.67 1g98 s ILE 156 CO -0.02 -0.66 0.00 0.61 -1.91 0.00 0.00 174.94 172.95 1g98 n GLY 157 N 0.72 3.48 0.32 1.50 0.00 -1.26 -2.02 105.19 107.92 1g98 n GLY 157 Ca -0.19 -0.09 0.19 0.00 0.00 0.00 0.00 46.02 45.93 1g98 n GLY 157 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1g98 h GLY 158 N 0.00 0.00 -1.87 -0.02 0.00 -1.98 -0.56 103.07 98.64 1g98 h GLY 158 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1g98 h GLY 158 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.98 1g98 n SER 159 N -3.43 2.77 0.09 0.19 7.64 -0.85 -4.52 113.62 115.51 1g98 n SER 159 Ca -0.03 -2.15 0.00 0.00 1.01 0.00 0.00 58.87 57.70 1g98 n SER 159 Cb 0.09 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 1g98 n SER 159 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1g98 n ASP 160 N 0.68 0.08 -0.20 6.43 2.03 -0.32 -4.21 116.55 121.04 1g98 n ASP 160 Ca 0.15 0.31 0.02 0.00 0.52 0.00 0.00 54.79 55.79 1g98 n ASP 160 Cb 0.50 0.19 0.27 0.00 -0.72 0.00 0.00 41.12 41.36 1g98 n ASP 160 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1g98 h LEU 161 N 0.00 0.81 0.69 -2.67 5.85 -1.53 -1.96 115.31 116.49 1g98 h LEU 161 Ca 0.00 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1g98 h LEU 161 Cb 0.06 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 40.90 1g98 h LEU 161 CO 0.00 0.57 -0.33 1.23 -0.34 0.00 0.00 178.44 179.57 1g98 h GLY 162 N 0.95 -0.96 0.56 3.75 0.00 -1.80 -0.71 103.07 104.85 1g98 h GLY 162 Ca 0.27 0.36 0.09 0.00 0.00 0.00 0.00 47.33 48.05 1g98 h GLY 162 CO -0.07 -0.35 0.50 -2.55 0.00 0.00 0.00 176.54 174.07 1g98 h PRO 163 N -1.13 0.82 0.28 4.80 0.11 -1.86 -0.89 132.00 134.13 1g98 h PRO 163 Ca -0.09 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.95 1g98 h PRO 163 Cb 0.74 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.67 1g98 h PRO 163 CO 0.16 0.54 -0.13 1.25 -0.21 0.00 0.00 178.00 179.60 1g98 h LEU 164 N 0.84 -0.32 -0.83 2.35 5.85 -1.33 -0.86 115.31 121.03 1g98 h LEU 164 Ca 0.40 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 59.09 1g98 h LEU 164 Cb 0.34 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 1g98 h LEU 164 CO -0.23 -0.20 0.44 -0.03 -0.34 0.00 0.00 178.44 178.08 1g98 h MET 165 N -0.40 1.16 -0.24 1.25 4.05 -0.80 -1.86 114.93 118.08 1g98 h MET 165 Ca -0.04 -0.14 -0.16 0.00 -0.28 0.00 0.00 59.70 59.08 1g98 h MET 165 Cb 0.31 -0.22 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 1g98 h MET 165 CO 0.06 0.86 -0.47 0.28 0.23 0.00 0.00 176.91 177.87 1g98 h VAL 166 N 1.15 1.30 -0.59 -5.77 2.07 -1.11 -0.66 116.25 112.64 1g98 h VAL 166 Ca 0.29 -1.68 -0.06 0.00 0.82 0.00 0.00 66.70 66.07 1g98 h VAL 166 Cb 0.04 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1g98 h VAL 166 CO -0.05 0.53 0.13 0.71 0.02 0.00 0.00 177.57 178.92 1g98 h THR 167 N 0.48 1.24 -0.34 2.57 1.35 -1.07 0.02 112.91 117.17 1g98 h THR 167 Ca 0.01 -0.89 -0.05 0.00 -0.55 0.00 0.00 66.41 64.92 1g98 h THR 167 Cb 1.08 0.65 -0.01 0.00 -1.73 0.00 0.00 68.15 68.13 1g98 h THR 167 CO 0.11 0.33 0.01 -0.33 -0.25 0.00 0.00 175.52 175.39 1g98 h GLU 168 N 0.88 0.59 -0.08 4.72 4.39 -1.25 -2.64 114.58 121.21 1g98 h GLU 168 Ca 0.19 -0.18 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1g98 h GLU 168 Cb 0.34 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1g98 h GLU 168 CO 0.00 0.71 -0.24 0.00 -1.16 0.00 0.00 179.01 178.32 1g98 h ALA 169 N 0.86 1.46 -0.63 3.43 0.00 -0.74 -3.14 119.26 120.50 1g98 h ALA 169 Ca 0.10 -0.26 -0.24 0.00 0.00 0.00 0.00 54.91 54.51 1g98 h ALA 169 Cb 0.44 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 18.02 1g98 h ALA 169 CO 0.02 0.39 0.22 1.28 0.00 0.00 0.00 179.25 181.16 1g98 n LEU 170 N -4.21 5.42 -0.32 0.00 4.77 -0.04 -4.72 117.00 117.91 1g98 n LEU 170 Ca -0.01 -3.41 0.13 0.00 -0.03 0.00 0.00 56.01 52.68 1g98 n LEU 170 Cb 0.33 -0.71 0.31 0.00 -2.33 0.00 0.00 43.42 41.02 1g98 n LEU 170 CO 0.38 0.95 1.10 0.11 -1.33 0.00 0.00 177.39 178.60 1g98 h LYS 171 N 1.79 0.52 0.00 3.23 1.79 -1.42 0.03 116.57 122.51 1g98 h LYS 171 Ca 0.29 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 1g98 h LYS 171 Cb 2.15 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 32.68 1g98 h LYS 171 CO 0.65 0.34 0.07 -1.35 -1.08 0.00 0.00 179.45 178.08 1g98 h PRO 172 N 0.53 0.00 -0.66 3.15 0.11 -1.89 -1.47 132.00 131.77 1g98 h PRO 172 Ca 0.56 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.67 1g98 h PRO 172 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1g98 h PRO 172 CO -0.46 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 177.99 1g98 n TYR 173 N -2.89 1.30 0.54 0.65 4.02 -0.00 -4.50 117.16 116.28 1g98 n TYR 173 Ca -0.03 -0.58 0.09 0.00 -0.01 0.00 0.00 57.90 57.38 1g98 n TYR 173 Cb 0.13 -0.17 0.26 0.00 -0.02 0.00 0.00 39.34 39.54 1g98 n TYR 173 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1g98 n SER 174 N 1.23 2.65 -4.65 7.72 3.41 -0.56 -4.40 113.62 119.02 1g98 n SER 174 Ca 0.25 -1.93 -0.47 0.00 -0.26 0.00 0.00 58.87 56.45 1g98 n SER 174 Cb 0.80 -0.27 -0.05 0.00 -0.26 0.00 0.00 64.21 64.43 1g98 n SER 174 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1g98 n SER 175 N 0.95 2.81 0.00 4.04 3.41 -1.26 -1.16 113.62 122.41 1g98 n SER 175 Ca 0.17 1.09 0.00 0.00 -0.26 0.00 0.00 58.87 59.87 1g98 n SER 175 Cb 0.44 -1.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.01 1g98 n SER 175 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1g98 n GLY 176 N 3.25 0.78 3.83 5.00 0.00 -1.26 -4.96 105.19 111.83 1g98 n GLY 176 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1g98 n GLY 176 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1g98 s GLY 177 N -1.77 1.91 0.82 -0.02 0.00 -0.31 -4.96 107.32 103.00 1g98 s GLY 177 Ca 0.00 -1.05 -0.11 0.00 0.00 0.00 0.00 44.72 43.56 1g98 s GLY 177 CO 0.00 -1.04 1.09 2.56 0.00 0.00 0.00 173.10 175.71 1g98 s PRO 178 N -2.74 1.86 0.36 2.90 0.04 -1.26 -4.97 135.00 131.19 1g98 s PRO 178 Ca 0.31 0.93 -0.28 0.00 0.04 0.00 0.00 61.00 62.01 1g98 s PRO 178 Cb -0.12 -1.87 -0.10 0.00 0.04 0.00 0.00 34.50 32.46 1g98 s PRO 178 CO 0.24 -1.85 1.30 1.03 0.04 0.00 0.00 177.00 177.76 1g98 s ARG 179 N -4.96 4.20 -0.09 4.56 0.52 -0.59 -4.76 118.95 117.83 1g98 s ARG 179 Ca 0.62 2.19 0.02 0.00 -0.52 0.00 0.00 55.73 58.04 1g98 s ARG 179 Cb -0.17 -2.94 -0.02 0.00 0.52 0.00 0.00 34.95 32.34 1g98 s ARG 179 CO 0.56 -0.31 -0.14 0.14 0.02 0.00 0.00 175.30 175.57 1g98 s VAL 180 N -1.19 3.01 0.06 3.52 -7.23 -1.26 -0.32 120.40 116.99 1g98 s VAL 180 Ca 0.52 -0.71 0.08 0.00 -1.81 0.00 0.00 61.98 60.06 1g98 s VAL 180 Cb -0.39 -2.22 -0.03 0.00 0.56 0.00 0.00 36.38 34.30 1g98 s VAL 180 CO 0.51 0.56 -0.21 0.26 -0.31 0.00 0.00 175.10 175.91 1g98 s TRP 181 N -0.15 1.85 -0.17 2.82 0.52 0.78 -4.96 118.94 119.62 1g98 s TRP 181 Ca -0.01 -0.39 0.01 0.00 0.02 0.00 0.00 56.10 55.73 1g98 s TRP 181 Cb -0.13 -1.07 0.03 0.00 -1.15 0.00 0.00 33.47 31.14 1g98 s TRP 181 CO 0.03 0.13 -0.15 -0.06 0.02 0.00 0.00 176.95 176.93 1g98 s PHE 182 N -0.91 2.39 -0.13 -1.98 0.40 -1.26 0.50 117.98 116.99 1g98 s PHE 182 Ca 0.08 -1.42 -0.01 0.00 -0.60 0.00 0.00 56.93 54.98 1g98 s PHE 182 Cb -0.09 -1.69 -0.02 0.00 0.51 0.00 0.00 43.02 41.73 1g98 s PHE 182 CO 0.03 -0.72 -0.12 0.08 0.70 0.00 0.00 175.22 175.18 1g98 s VAL 183 N 1.41 3.14 0.00 -0.44 1.01 0.75 -4.97 120.40 121.31 1g98 s VAL 183 Ca 0.03 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1g98 s VAL 183 Cb -0.14 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.92 1g98 s VAL 183 CO -0.11 0.52 0.00 -1.54 0.00 0.00 0.00 175.10 173.97 1g98 n SER 184 N 3.53 0.00 -4.76 3.32 3.41 -1.25 -1.69 113.62 116.18 1g98 n SER 184 Ca -0.18 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.05 1g98 n SER 184 Cb 0.53 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.49 1g98 n SER 184 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1g98 s ASN 185 N -4.44 5.84 0.37 4.04 3.84 -1.26 -4.64 114.94 118.68 1g98 s ASN 185 Ca 0.00 2.59 0.19 0.00 0.21 0.00 0.00 52.86 55.85 1g98 s ASN 185 Cb 0.00 -2.63 0.64 0.00 -0.55 0.00 0.00 41.25 38.72 1g98 s ASN 185 CO 0.00 -1.17 1.72 -0.29 -2.79 0.00 0.00 177.10 174.57 1g98 h ILE 186 N 1.86 0.87 -1.17 -5.21 6.09 -1.98 -3.44 117.51 114.53 1g98 h ILE 186 Ca -0.50 -1.56 -0.77 0.00 -1.37 0.00 0.00 64.86 60.66 1g98 h ILE 186 Cb 1.27 1.96 0.00 0.00 0.47 0.00 0.00 36.82 40.52 1g98 h ILE 186 CO 0.60 0.37 0.95 -0.67 -3.07 0.00 0.00 178.15 176.33 1g98 n ASP 187 N -3.50 1.85 0.02 2.19 4.64 -1.26 -4.76 116.55 115.74 1g98 n ASP 187 Ca -0.00 0.99 0.22 0.00 -1.38 0.00 0.00 54.79 54.62 1g98 n ASP 187 Cb 0.52 -1.05 0.70 0.00 -1.04 0.00 0.00 41.12 40.25 1g98 n ASP 187 CO 0.00 0.00 0.00 1.23 -0.82 0.00 0.00 177.20 177.61 1g98 h GLY 188 N 7.38 0.00 0.83 0.27 0.00 -2.03 -1.73 103.07 107.79 1g98 h GLY 188 Ca -0.39 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.01 1g98 h GLY 188 CO 0.99 0.00 0.59 -0.84 0.00 0.00 0.00 176.54 177.27 1g98 h THR 189 N 0.00 1.05 0.42 4.70 2.02 -1.93 -1.94 112.91 117.22 1g98 h THR 189 Ca 0.26 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 1g98 h THR 189 Cb 1.43 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1g98 h THR 189 CO -0.00 0.18 -0.20 -0.74 0.37 0.00 0.00 175.52 175.13 1g98 h HIS 190 N 1.00 -0.52 -0.02 3.16 2.76 -1.61 -2.00 115.15 117.92 1g98 h HIS 190 Ca 0.39 -0.01 -0.19 0.00 -2.20 0.00 0.00 60.37 58.36 1g98 h HIS 190 Cb 0.23 0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.35 1g98 h HIS 190 CO -0.00 -0.29 -0.81 0.97 -1.30 0.00 0.00 177.93 176.49 1g98 h ILE 191 N -0.61 1.44 -0.16 6.26 2.10 -1.73 -3.04 117.51 121.77 1g98 h ILE 191 Ca -0.06 -2.39 -0.00 0.00 1.08 0.00 0.00 64.86 63.49 1g98 h ILE 191 Cb 0.46 2.31 -0.01 0.00 -1.09 0.00 0.00 36.82 38.49 1g98 h ILE 191 CO 0.09 0.70 0.08 0.00 -1.08 0.00 0.00 178.15 177.95 1g98 h ALA 192 N 0.97 0.21 0.00 0.18 0.00 -1.33 0.14 119.26 119.43 1g98 h ALA 192 Ca -0.04 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1g98 h ALA 192 Cb 1.41 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1g98 h ALA 192 CO 0.13 -0.24 -0.22 0.87 0.00 0.00 0.00 179.25 179.78 1g98 h LYS 193 N 0.15 0.00 0.01 0.00 1.79 -1.45 -1.99 116.57 115.09 1g98 h LYS 193 Ca 0.06 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.49 1g98 h LYS 193 Cb 0.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1g98 h LYS 193 CO -0.01 0.22 -0.14 1.15 -1.08 0.00 0.00 179.45 179.60 1g98 h THR 194 N 0.00 1.64 0.00 -0.16 2.02 -1.33 -3.30 112.91 111.79 1g98 h THR 194 Ca -0.00 -2.08 -0.04 0.00 0.77 0.00 0.00 66.41 65.06 1g98 h THR 194 Cb 0.61 3.02 -0.01 0.00 -1.74 0.00 0.00 68.15 70.04 1g98 h THR 194 CO 0.03 0.55 -0.18 -0.07 0.37 0.00 0.00 175.52 176.22 1g98 h LEU 195 N -0.73 0.00 -2.17 2.58 3.38 -0.67 -2.70 115.31 115.01 1g98 h LEU 195 Ca -0.02 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.98 1g98 h LEU 195 Cb 0.98 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 1g98 h LEU 195 CO 0.03 0.18 0.07 0.00 0.09 0.00 0.00 178.44 178.81 1g98 h ALA 196 N 1.82 1.90 -0.60 1.53 0.00 -1.43 -1.81 119.26 120.66 1g98 h ALA 196 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1g98 h ALA 196 Cb 0.33 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1g98 h ALA 196 CO 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.15 1g98 s LEU 198 N -1.50 3.02 -0.27 0.00 1.43 -0.68 -5.10 118.68 115.58 1g98 s LEU 198 Ca 0.45 -0.47 -0.06 0.00 -1.03 0.00 0.00 54.13 53.02 1g98 s LEU 198 Cb 0.27 -1.76 -0.00 0.00 0.03 0.00 0.00 46.19 44.72 1g98 s LEU 198 CO 0.25 0.14 0.06 0.21 0.23 0.00 0.00 176.35 177.24 1g98 s ASN 199 N -2.52 4.99 0.36 2.29 3.84 -1.26 -5.00 114.94 117.64 1g98 s ASN 199 Ca 0.23 -0.52 0.13 0.00 0.21 0.00 0.00 52.86 52.91 1g98 s ASN 199 Cb -0.10 -1.87 0.97 0.00 -0.55 0.00 0.00 41.25 39.70 1g98 s ASN 199 CO 0.15 -0.12 1.76 -0.65 -2.79 0.00 0.00 177.10 175.45 1g98 h PRO 200 N 8.21 0.51 0.00 0.43 0.11 -1.95 -1.34 132.00 137.97 1g98 h PRO 200 Ca -0.35 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.71 1g98 h PRO 200 Cb 1.14 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1g98 h PRO 200 CO 0.60 0.33 -0.09 0.93 -0.21 0.00 0.00 178.00 179.56 1g98 h GLU 201 N 0.52 0.00 0.00 1.05 5.08 -1.97 -3.16 114.58 116.10 1g98 h GLU 201 Ca 0.60 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.96 1g98 h GLU 201 Cb 1.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 1g98 h GLU 201 CO -0.37 0.09 -0.10 -1.13 -1.00 0.00 0.00 179.01 176.51 1g98 n SER 202 N -3.37 1.94 -4.51 1.42 3.41 -0.55 -4.31 113.62 107.64 1g98 n SER 202 Ca -0.01 -2.92 -0.34 0.00 -0.26 0.00 0.00 58.87 55.34 1g98 n SER 202 Cb 0.27 -0.39 -0.12 0.00 -0.26 0.00 0.00 64.21 63.71 1g98 n SER 202 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1g98 s SER 203 N -2.57 4.70 -0.17 4.04 0.01 -0.95 -1.12 113.70 117.64 1g98 s SER 203 Ca 0.27 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.42 1g98 s SER 203 Cb 0.24 -1.61 0.01 0.00 0.21 0.00 0.00 66.02 64.86 1g98 s SER 203 CO 0.02 0.22 -0.16 -0.22 0.41 0.00 0.00 173.24 173.52 1g98 s LEU 204 N 0.02 2.39 -0.13 2.44 1.98 -0.22 -4.77 118.68 120.39 1g98 s LEU 204 Ca -0.00 -0.53 -0.09 0.00 -2.89 0.00 0.00 54.13 50.61 1g98 s LEU 204 Cb -0.13 -1.55 -0.05 0.00 0.66 0.00 0.00 46.19 45.12 1g98 s LEU 204 CO 0.03 0.04 0.19 -0.36 -1.89 0.00 0.00 176.35 174.36 1g98 s PHE 205 N 1.06 3.56 -0.27 5.38 0.40 0.10 -0.55 117.98 127.67 1g98 s PHE 205 Ca -0.01 0.55 -0.01 0.00 -0.60 0.00 0.00 56.93 56.87 1g98 s PHE 205 Cb -0.14 -2.08 0.04 0.00 0.51 0.00 0.00 43.02 41.35 1g98 s PHE 205 CO -0.05 0.57 -0.05 0.42 0.70 0.00 0.00 175.22 176.82 1g98 s ILE 206 N -0.57 2.78 -0.56 0.64 1.01 0.42 -1.23 121.20 123.70 1g98 s ILE 206 Ca 0.15 -1.26 -0.21 0.00 0.00 0.00 0.00 60.65 59.33 1g98 s ILE 206 Cb -0.12 -2.51 0.07 0.00 0.01 0.00 0.00 42.46 39.90 1g98 s ILE 206 CO 0.04 0.06 0.75 -0.63 0.00 0.00 0.00 174.94 175.16 1g98 s ILE 207 N 1.26 4.69 -0.41 2.92 -1.09 -0.01 -0.58 121.20 127.97 1g98 s ILE 207 Ca -0.03 -0.43 -0.18 0.00 -2.23 0.00 0.00 60.65 57.78 1g98 s ILE 207 Cb -0.18 -4.44 0.02 0.00 -1.58 0.00 0.00 42.46 36.27 1g98 s ILE 207 CO -0.04 -1.03 0.47 0.00 -1.23 0.00 0.00 174.94 173.11 1g98 s ALA 208 N 3.11 3.42 -0.30 9.38 0.00 -0.21 -1.10 121.76 136.07 1g98 s ALA 208 Ca 0.18 -1.41 -0.06 0.00 0.00 0.00 0.00 51.96 50.67 1g98 s ALA 208 Cb -0.19 -3.07 0.16 0.00 0.00 0.00 0.00 23.12 20.02 1g98 s ALA 208 CO 0.12 -1.55 0.65 0.45 0.00 0.00 0.00 175.76 175.42 1g98 s SER 209 N 1.83 -1.22 0.17 0.00 0.15 -0.19 -4.35 113.70 110.09 1g98 s SER 209 Ca 0.14 1.22 -0.14 0.00 0.70 0.00 0.00 55.95 57.87 1g98 s SER 209 Cb -0.16 2.21 0.08 0.00 -1.71 0.00 0.00 66.02 66.44 1g98 s SER 209 CO 0.14 -0.23 1.79 0.50 1.20 0.00 0.00 173.24 176.65 1g98 h LYS 210 N 7.98 0.48 0.00 5.44 3.64 -1.94 -3.12 116.57 129.05 1g98 h LYS 210 Ca -0.20 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 58.96 1g98 h LYS 210 Cb 1.13 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.81 1g98 h LYS 210 CO 0.16 0.32 -1.56 0.25 -2.27 0.00 0.00 179.45 176.35 1g98 n THR 211 N -4.87 1.18 -2.36 1.00 -2.24 -1.26 -1.59 114.28 104.14 1g98 n THR 211 Ca 0.03 -0.70 -0.18 0.00 -2.27 0.00 0.00 64.05 60.92 1g98 n THR 211 Cb 0.09 -0.70 -0.01 0.00 -2.10 0.00 0.00 70.33 67.61 1g98 n THR 211 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1g98 n PHE 212 N -2.85 -0.89 -0.07 4.78 7.35 -1.18 -4.66 117.46 119.94 1g98 n PHE 212 Ca -0.12 0.01 0.00 0.00 -0.76 0.00 0.00 57.45 56.58 1g98 n PHE 212 Cb 0.87 -3.63 0.00 0.00 0.35 0.00 0.00 39.48 37.07 1g98 n PHE 212 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1g98 n THR 213 N -4.02 0.00 -1.67 -2.13 -2.24 -1.26 -4.87 114.28 98.08 1g98 n THR 213 Ca -0.22 -0.21 -0.47 0.00 -2.27 0.00 0.00 64.05 60.88 1g98 n THR 213 Cb 0.67 1.07 -0.04 0.00 -2.10 0.00 0.00 70.33 69.92 1g98 n THR 213 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1g98 n THR 214 N -0.38 0.23 -0.15 4.28 -1.04 -1.26 -4.88 114.28 111.08 1g98 n THR 214 Ca 0.00 -0.04 -0.04 0.00 -2.04 0.00 0.00 64.05 61.93 1g98 n THR 214 Cb 0.02 -1.68 0.05 0.00 -1.82 0.00 0.00 70.33 66.90 1g98 n THR 214 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1g98 h GLN 215 N 7.22 0.39 -0.20 -2.82 4.15 -1.97 -1.54 115.11 120.35 1g98 h GLN 215 Ca -0.46 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 58.94 1g98 h GLN 215 Cb 1.26 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.85 1g98 h GLN 215 CO 0.91 0.26 0.10 0.93 -1.93 0.00 0.00 178.83 179.10 1g98 h GLU 216 N 0.41 0.21 -0.19 1.69 3.07 -1.92 -1.21 114.58 116.64 1g98 h GLU 216 Ca 0.21 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 59.03 1g98 h GLU 216 Cb 0.17 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 1g98 h GLU 216 CO -0.18 0.14 0.00 1.15 -1.40 0.00 0.00 179.01 178.71 1g98 h THR 217 N 0.21 1.25 -0.51 1.13 2.02 -1.80 -0.69 112.91 114.52 1g98 h THR 217 Ca 0.08 -0.85 -0.10 0.00 0.77 0.00 0.00 66.41 66.31 1g98 h THR 217 Cb 0.01 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 1g98 h THR 217 CO -0.05 0.26 -0.08 0.40 0.37 0.00 0.00 175.52 176.42 1g98 h ILE 218 N 0.08 1.26 -0.46 3.11 1.08 -1.28 0.18 117.51 121.49 1g98 h ILE 218 Ca 0.05 -1.19 -0.08 0.00 -0.39 0.00 0.00 64.86 63.26 1g98 h ILE 218 Cb 0.38 0.95 -0.02 0.00 -3.07 0.00 0.00 36.82 35.07 1g98 h ILE 218 CO 0.01 0.42 -0.01 0.74 -0.69 0.00 0.00 178.15 178.62 1g98 h THR 219 N 0.83 1.26 -0.58 -0.27 2.02 -1.18 0.10 112.91 115.09 1g98 h THR 219 Ca 0.14 -1.06 -0.06 0.00 0.77 0.00 0.00 66.41 66.20 1g98 h THR 219 Cb 0.60 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1g98 h THR 219 CO 0.04 0.37 0.13 0.78 0.37 0.00 0.00 175.52 177.21 1g98 h ASN 220 N 0.66 0.89 -0.59 4.18 2.35 -0.90 -1.41 115.58 120.77 1g98 h ASN 220 Ca 0.13 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.63 1g98 h ASN 220 Cb 0.51 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 1g98 h ASN 220 CO 0.03 0.90 0.33 0.00 -1.65 0.00 0.00 177.43 177.03 1g98 h ALA 221 N 1.02 0.76 -0.61 -0.83 0.00 -0.37 -0.71 119.26 118.52 1g98 h ALA 221 Ca 0.18 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1g98 h ALA 221 Cb 0.36 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1g98 h ALA 221 CO 0.00 0.27 0.07 0.87 0.00 0.00 0.00 179.25 180.46 1g98 h LYS 222 N 0.80 1.02 -0.62 0.00 1.79 -0.81 -0.37 116.57 118.39 1g98 h LYS 222 Ca 0.21 -0.28 -0.09 0.00 -2.18 0.00 0.00 60.65 58.31 1g98 h LYS 222 Cb 0.03 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.54 1g98 h LYS 222 CO -0.03 0.96 0.03 1.15 -1.08 0.00 0.00 179.45 180.47 1g98 h THR 223 N 0.95 1.27 -0.57 -0.16 2.02 -0.91 -0.06 112.91 115.44 1g98 h THR 223 Ca 0.18 -1.12 -0.09 0.00 0.77 0.00 0.00 66.41 66.16 1g98 h THR 223 Cb 0.46 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 1g98 h THR 223 CO 0.02 0.41 0.02 0.00 0.37 0.00 0.00 175.52 176.34 1g98 h ALA 224 N 1.00 0.77 -0.42 6.16 0.00 -0.83 -0.96 119.26 124.97 1g98 h ALA 224 Ca 0.18 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1g98 h ALA 224 Cb 0.53 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1g98 h ALA 224 CO 0.03 0.58 0.04 -0.22 0.00 0.00 0.00 179.25 179.67 1g98 h LYS 225 N 0.88 0.72 -0.44 0.00 3.64 -0.81 0.69 116.57 121.25 1g98 h LYS 225 Ca 0.16 -0.21 0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1g98 h LYS 225 Cb 0.52 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.24 1g98 h LYS 225 CO 0.03 0.78 0.27 -0.44 -2.27 0.00 0.00 179.45 177.81 1g98 h ASP 226 N 0.57 0.45 -0.20 4.20 3.32 -0.84 -0.02 116.42 123.90 1g98 h ASP 226 Ca 0.12 -0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.21 1g98 h ASP 226 Cb 0.43 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 1g98 h ASP 226 CO 0.01 0.32 -0.06 -0.25 -1.72 0.00 0.00 179.24 177.55 1g98 h TRP 227 N 0.55 -0.13 0.60 4.55 7.01 -0.89 -1.92 115.95 125.73 1g98 h TRP 227 Ca 0.17 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.17 1g98 h TRP 227 Cb -0.01 0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.12 1g98 h TRP 227 CO -0.06 -0.10 -0.48 0.35 -2.79 0.00 0.00 178.44 175.36 1g98 h PHE 228 N -0.01 -1.30 0.00 2.65 3.57 -0.34 -2.43 116.94 119.07 1g98 h PHE 228 Ca 0.10 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1g98 h PHE 228 Cb 0.16 0.49 0.00 0.00 2.79 0.00 0.00 35.95 39.39 1g98 h PHE 228 CO -0.22 -0.67 0.15 -0.07 -2.23 0.00 0.00 178.31 175.27 1g98 h LEU 229 N -1.05 0.00 -2.12 0.59 3.38 -0.92 0.12 115.31 115.32 1g98 h LEU 229 Ca -0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1g98 h LEU 229 Cb 0.87 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 1g98 h LEU 229 CO 0.01 0.00 -0.07 0.25 0.09 0.00 0.00 178.44 178.72 1g98 h LEU 230 N 0.00 0.00 0.00 1.67 5.85 -0.82 -0.27 115.31 121.73 1g98 h LEU 230 Ca 0.00 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.43 1g98 h LEU 230 Cb 0.29 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 1g98 h LEU 230 CO 0.00 0.07 -1.96 -1.20 -0.34 0.00 0.00 178.44 175.01 1g98 n SER 231 N -3.54 1.46 0.19 1.25 7.64 0.35 -4.66 113.62 116.30 1g98 n SER 231 Ca -0.02 0.17 0.05 0.00 1.01 0.00 0.00 58.87 60.08 1g98 n SER 231 Cb 0.20 -0.47 0.38 0.00 -1.01 0.00 0.00 64.21 63.30 1g98 n SER 231 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g98 h ALA 232 N -0.53 1.14 0.00 -0.43 0.00 -1.45 -3.46 119.26 114.54 1g98 h ALA 232 Ca -0.43 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1g98 h ALA 232 Cb 1.41 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1g98 h ALA 232 CO -0.24 0.46 0.00 1.63 0.00 0.00 0.00 179.25 181.10 1g98 n LYS 233 N -3.74 0.00 -2.53 0.00 4.76 -0.11 -4.83 118.16 111.72 1g98 n LYS 233 Ca -0.01 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.00 1g98 n LYS 233 Cb 0.45 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.62 1g98 n LYS 233 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1g98 s ASP 234 N 0.00 6.84 0.00 4.39 -1.08 -1.26 -4.91 116.67 120.65 1g98 s ASP 234 Ca 0.00 1.21 0.08 0.00 -0.52 0.00 0.00 52.55 53.32 1g98 s ASP 234 Cb 0.00 -2.54 0.35 0.00 -1.46 0.00 0.00 42.92 39.27 1g98 s ASP 234 CO 0.00 -0.93 1.24 -0.81 0.52 0.00 0.00 175.17 175.19 1g98 n PRO 235 N 6.99 0.01 0.02 4.34 -0.04 -1.26 -1.69 135.00 143.37 1g98 n PRO 235 Ca 0.13 0.35 0.13 0.00 -0.04 0.00 0.00 63.50 64.07 1g98 n PRO 235 Cb 0.47 -1.50 0.56 0.00 -0.04 0.00 0.00 33.50 32.99 1g98 n PRO 235 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1g98 n SER 236 N -1.48 0.18 0.13 3.54 3.41 -1.26 -2.95 113.62 115.20 1g98 n SER 236 Ca 0.02 0.52 0.13 0.00 -0.26 0.00 0.00 58.87 59.28 1g98 n SER 236 Cb 0.09 -0.57 0.31 0.00 -0.26 0.00 0.00 64.21 63.78 1g98 n SER 236 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1g98 h THR 237 N 0.00 0.00 -0.46 6.66 1.35 -1.71 -3.29 112.91 115.46 1g98 h THR 237 Ca 0.00 -0.64 0.10 0.00 -0.55 0.00 0.00 66.41 65.31 1g98 h THR 237 Cb 0.54 1.59 -0.02 0.00 -1.73 0.00 0.00 68.15 68.53 1g98 h THR 237 CO 0.00 0.00 0.32 0.58 -0.25 0.00 0.00 175.52 176.17 1g98 h VAL 238 N 0.00 0.86 0.00 6.82 2.07 -1.71 -0.82 116.25 123.47 1g98 h VAL 238 Ca 0.00 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1g98 h VAL 238 Cb 0.82 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1g98 h VAL 238 CO 0.00 0.04 0.00 0.00 0.02 0.00 0.00 177.57 177.63 1g98 h ALA 239 N 1.77 1.00 -0.02 1.67 0.00 -1.80 0.13 119.26 122.00 1g98 h ALA 239 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1g98 h ALA 239 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1g98 h ALA 239 CO -0.04 0.00 -0.44 1.63 0.00 0.00 0.00 179.25 180.40 1g98 n LYS 240 N -2.77 1.31 0.00 0.00 5.02 -0.32 -4.49 118.16 116.91 1g98 n LYS 240 Ca -0.01 -1.00 0.00 0.00 -2.02 0.00 0.00 58.31 55.27 1g98 n LYS 240 Cb 0.12 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 1g98 n LYS 240 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1g98 n HIS 241 N 0.01 0.00 -4.08 2.13 8.25 -0.66 -4.76 115.22 116.11 1g98 n HIS 241 Ca 0.09 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.34 1g98 n HIS 241 Cb 0.45 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.40 1g98 n HIS 241 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1g98 s PHE 242 N -0.12 0.75 0.23 4.41 0.40 -0.06 0.02 117.98 123.61 1g98 s PHE 242 Ca 0.00 -0.21 0.04 0.00 -0.60 0.00 0.00 56.93 56.16 1g98 s PHE 242 Cb 0.00 -0.70 -0.05 0.00 0.51 0.00 0.00 43.02 42.78 1g98 s PHE 242 CO 0.00 -0.22 -0.02 0.14 0.70 0.00 0.00 175.22 175.82 1g98 s VAL 243 N 1.12 1.13 0.03 -0.44 -7.23 -0.37 -4.74 120.40 109.90 1g98 s VAL 243 Ca -0.08 -2.05 0.02 0.00 -1.81 0.00 0.00 61.98 58.06 1g98 s VAL 243 Cb -0.14 -2.31 -0.02 0.00 0.56 0.00 0.00 36.38 34.47 1g98 s VAL 243 CO -0.01 -0.36 -0.07 0.00 -0.31 0.00 0.00 175.10 174.35 1g98 s ALA 244 N -3.36 0.52 -0.28 1.32 0.00 -0.71 -0.83 121.76 118.42 1g98 s ALA 244 Ca 0.27 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.67 1g98 s ALA 244 Cb 0.05 -0.01 0.06 0.00 0.00 0.00 0.00 23.12 23.22 1g98 s ALA 244 CO 0.08 0.02 -0.05 -0.51 0.00 0.00 0.00 175.76 175.30 1g98 s LEU 245 N -1.08 3.73 0.32 0.00 1.43 -0.25 -0.01 118.68 122.82 1g98 s LEU 245 Ca -0.06 -1.41 -0.18 0.00 -1.03 0.00 0.00 54.13 51.45 1g98 s LEU 245 Cb -0.07 -1.62 0.05 0.00 0.03 0.00 0.00 46.19 44.58 1g98 s LEU 245 CO 0.00 -0.23 0.83 -0.55 0.23 0.00 0.00 176.35 176.63 1g98 s SER 246 N 1.16 -0.05 0.00 2.29 0.15 -0.90 -1.02 113.70 115.33 1g98 s SER 246 Ca -0.06 -0.93 0.06 0.00 0.70 0.00 0.00 55.95 55.72 1g98 s SER 246 Cb -0.20 0.75 -0.06 0.00 -1.71 0.00 0.00 66.02 64.79 1g98 s SER 246 CO -0.04 -1.46 0.26 0.35 1.20 0.00 0.00 173.24 173.55 1g98 n THR 247 N -0.55 0.00 -3.42 6.45 -2.24 -0.62 -3.11 114.28 110.80 1g98 n THR 247 Ca -0.07 -0.36 -0.44 0.00 -2.27 0.00 0.00 64.05 60.91 1g98 n THR 247 Cb 0.60 1.00 -0.04 0.00 -2.10 0.00 0.00 70.33 69.79 1g98 n THR 247 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1g98 s ASN 248 N -1.56 6.45 0.31 3.42 3.84 -1.23 -4.91 114.94 121.26 1g98 s ASN 248 Ca 0.02 -2.81 -0.01 0.00 0.21 0.00 0.00 52.86 50.27 1g98 s ASN 248 Cb 0.05 -2.13 0.49 0.00 -0.55 0.00 0.00 41.25 39.11 1g98 s ASN 248 CO 0.25 -0.50 1.98 0.74 -2.79 0.00 0.00 177.10 176.77 1g98 h THR 249 N 4.79 1.20 0.24 -5.21 2.02 -1.95 -2.14 112.91 111.86 1g98 h THR 249 Ca 0.09 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 1g98 h THR 249 Cb 1.01 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1g98 h THR 249 CO 0.76 0.19 -0.11 0.00 0.37 0.00 0.00 175.52 176.73 1g98 h ALA 250 N 1.51 -0.32 -0.28 6.16 0.00 -1.99 -1.92 119.26 122.41 1g98 h ALA 250 Ca 0.28 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1g98 h ALA 250 Cb -0.11 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1g98 h ALA 250 CO -0.06 -0.62 -0.06 0.87 0.00 0.00 0.00 179.25 179.38 1g98 h LYS 251 N -0.43 0.45 -0.59 0.00 1.79 -1.89 -0.12 116.57 115.78 1g98 h LYS 251 Ca -0.03 -0.11 -0.06 0.00 -2.18 0.00 0.00 60.65 58.27 1g98 h LYS 251 Cb 0.33 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.89 1g98 h LYS 251 CO 0.05 0.53 0.13 0.28 -1.08 0.00 0.00 179.45 179.36 1g98 h VAL 252 N 0.43 1.25 -0.45 0.50 2.07 -1.28 -0.35 116.25 118.42 1g98 h VAL 252 Ca 0.09 -0.94 -0.13 0.00 0.82 0.00 0.00 66.70 66.54 1g98 h VAL 252 Cb 0.38 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1g98 h VAL 252 CO 0.02 0.35 -0.22 0.50 0.02 0.00 0.00 177.57 178.24 1g98 h LYS 253 N 0.87 0.94 -0.85 1.57 3.11 -0.95 -2.39 116.57 118.86 1g98 h LYS 253 Ca 0.18 -0.41 0.03 0.00 -2.81 0.00 0.00 60.65 57.64 1g98 h LYS 253 Cb 0.38 -0.03 -0.05 0.00 -1.00 0.00 0.00 32.23 31.53 1g98 h LYS 253 CO 0.01 1.08 0.56 1.49 -2.81 0.00 0.00 179.45 179.77 1g98 h GLU 254 N 0.78 1.04 -0.41 1.90 4.81 -0.60 -1.08 114.58 121.04 1g98 h GLU 254 Ca 0.10 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.19 1g98 h GLU 254 Cb 0.79 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 1g98 h GLU 254 CO 0.07 0.69 -0.05 0.35 -0.73 0.00 0.00 179.01 179.33 1g98 h PHE 255 N 1.08 0.74 0.00 0.92 3.57 -0.86 -3.47 116.94 118.92 1g98 h PHE 255 Ca 0.33 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.72 1g98 h PHE 255 Cb -0.00 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.54 1g98 h PHE 255 CO -0.00 0.73 0.00 0.41 -2.23 0.00 0.00 178.31 177.21 1g98 n GLY 256 N -0.62 1.00 3.80 2.40 0.00 -0.41 -5.12 105.19 106.25 1g98 n GLY 256 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1g98 n GLY 256 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1g98 s ILE 257 N -1.43 5.10 0.36 -0.61 1.01 -0.93 -4.85 121.20 119.85 1g98 s ILE 257 Ca 0.00 0.05 -0.23 0.00 0.00 0.00 0.00 60.65 60.47 1g98 s ILE 257 Cb 0.00 -3.21 -0.10 0.00 0.01 0.00 0.00 42.46 39.16 1g98 s ILE 257 CO 0.00 0.60 0.93 -1.81 0.00 0.00 0.00 174.94 174.66 1g98 s ASP 258 N -0.84 7.15 0.25 3.58 1.11 -1.26 -3.89 116.67 122.77 1g98 s ASP 258 Ca 0.13 1.74 -0.09 0.00 0.18 0.00 0.00 52.55 54.51 1g98 s ASP 258 Cb -0.12 -2.55 0.40 0.00 1.07 0.00 0.00 42.92 41.72 1g98 s ASP 258 CO 0.03 -0.19 1.60 -0.65 1.18 0.00 0.00 175.17 177.14 1g98 h PRO 259 N 2.64 0.02 0.00 8.23 0.11 -1.95 0.46 132.00 141.50 1g98 h PRO 259 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1g98 h PRO 259 Cb 1.19 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1g98 h PRO 259 CO 0.63 0.01 0.00 -0.56 -0.21 0.00 0.00 178.00 177.87 1g98 h GLN 260 N 0.02 0.00 -0.54 1.05 -0.00 -2.03 -0.28 115.11 113.33 1g98 h GLN 260 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.06 1g98 h GLN 260 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.15 1g98 h GLN 260 CO -0.83 0.00 0.00 0.09 -0.00 0.00 0.00 178.83 178.09 1g98 n ASN 261 N -2.51 5.35 -4.25 0.06 3.02 0.15 -4.86 115.26 112.22 1g98 n ASN 261 Ca -0.01 -2.89 -0.35 0.00 -0.03 0.00 0.00 54.58 51.30 1g98 n ASN 261 Cb 0.08 -0.65 -0.14 0.00 -0.61 0.00 0.00 39.78 38.46 1g98 n ASN 261 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1g98 s MET 262 N -2.66 3.08 -0.33 3.52 1.75 -0.12 -1.74 119.30 122.80 1g98 s MET 262 Ca 0.52 -0.82 -0.17 0.00 -1.25 0.00 0.00 55.69 53.97 1g98 s MET 262 Cb 0.39 -3.01 -0.01 0.00 2.84 0.00 0.00 34.83 35.05 1g98 s MET 262 CO 0.16 -0.32 0.45 -0.06 -0.65 0.00 0.00 175.02 174.60 1g98 s PHE 263 N 1.40 3.20 0.25 4.11 0.40 0.99 -4.98 117.98 123.35 1g98 s PHE 263 Ca 0.03 0.16 0.04 0.00 -0.60 0.00 0.00 56.93 56.57 1g98 s PHE 263 Cb -0.15 -2.79 -0.03 0.00 0.51 0.00 0.00 43.02 40.55 1g98 s PHE 263 CO -0.04 -0.46 0.38 -1.83 0.70 0.00 0.00 175.22 173.97 1g98 s GLU 264 N 2.23 3.45 0.01 0.44 -1.05 -1.26 -2.12 118.70 120.39 1g98 s GLU 264 Ca 0.16 -0.71 0.00 0.00 -0.15 0.00 0.00 54.97 54.28 1g98 s GLU 264 Cb -0.16 -2.87 -0.00 0.00 -0.44 0.00 0.00 34.13 30.66 1g98 s GLU 264 CO 0.12 0.40 0.01 1.97 0.95 0.00 0.00 175.26 178.71 1g98 n PHE 265 N -1.42 -0.01 -4.40 4.83 1.16 -1.18 -4.55 117.46 111.89 1g98 n PHE 265 Ca -0.08 -0.07 -0.20 0.00 -1.87 0.00 0.00 57.45 55.23 1g98 n PHE 265 Cb 0.57 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.34 1g98 n PHE 265 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 1g98 s TRP 266 N -1.89 1.81 0.57 2.97 0.51 -1.26 -4.57 118.94 117.06 1g98 s TRP 266 Ca 0.01 -0.97 0.25 0.00 -2.12 0.00 0.00 56.10 53.26 1g98 s TRP 266 Cb 0.00 -1.13 1.63 0.00 -0.81 0.00 0.00 33.47 33.17 1g98 s TRP 266 CO 0.01 -0.05 2.22 0.38 -0.51 0.00 0.00 176.95 178.99 1g98 h ASP 267 N 2.25 0.00 0.00 2.95 3.04 -1.97 -1.09 116.42 121.59 1g98 h ASP 267 Ca -0.40 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.39 1g98 h ASP 267 Cb 1.24 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.53 1g98 h ASP 267 CO 0.67 0.00 0.00 -2.67 -2.04 0.00 0.00 179.24 175.20 1g98 n TRP 268 N -4.08 0.00 -3.59 4.15 4.27 -1.26 -4.51 117.44 112.42 1g98 n TRP 268 Ca -0.03 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.18 1g98 n TRP 268 Cb 0.10 -0.01 -0.09 0.00 -1.36 0.00 0.00 31.31 29.94 1g98 n TRP 268 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 1g98 s VAL 269 N -1.90 4.17 0.34 -1.67 1.01 -0.42 -1.64 120.40 120.30 1g98 s VAL 269 Ca 0.00 -1.61 -0.27 0.00 0.00 0.00 0.00 61.98 60.09 1g98 s VAL 269 Cb 0.00 -3.66 -0.09 0.00 0.00 0.00 0.00 36.38 32.63 1g98 s VAL 269 CO 0.00 -0.64 1.17 -0.83 0.00 0.00 0.00 175.10 174.80 1g98 s GLY 270 N 2.37 2.96 0.22 4.51 0.00 -1.26 -4.87 107.32 111.25 1g98 s GLY 270 Ca 0.04 1.00 -0.09 0.00 0.00 0.00 0.00 44.72 45.67 1g98 s GLY 270 CO 0.00 1.57 1.69 -1.33 0.00 0.00 0.00 173.10 175.04 1g98 h GLY 271 N 3.21 0.78 0.64 0.20 0.00 -1.96 0.14 103.07 106.10 1g98 h GLY 271 Ca -0.48 0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1g98 h GLY 271 CO 0.65 -0.16 0.00 -0.96 0.00 0.00 0.00 176.54 176.07 1g98 n ARG 272 N -5.18 0.67 -1.22 4.80 1.85 -1.26 -2.00 116.66 114.32 1g98 n ARG 272 Ca 0.10 0.00 0.04 0.00 -1.00 0.00 0.00 57.85 56.99 1g98 n ARG 272 Cb 0.36 -1.32 0.05 0.00 -1.05 0.00 0.00 32.46 30.50 1g98 n ARG 272 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1g98 n TYR 273 N -0.82 0.00 0.89 2.89 4.02 0.38 -4.81 117.16 119.71 1g98 n TYR 273 Ca 0.10 -0.63 0.09 0.00 -0.01 0.00 0.00 57.90 57.46 1g98 n TYR 273 Cb 0.05 -0.16 -0.06 0.00 -0.02 0.00 0.00 39.34 39.15 1g98 n TYR 273 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1g98 n SER 274 N 0.13 1.35 0.29 7.72 3.41 -0.47 -4.48 113.62 121.58 1g98 n SER 274 Ca 0.08 -1.17 0.19 0.00 -0.26 0.00 0.00 58.87 57.71 1g98 n SER 274 Cb 1.02 0.76 1.03 0.00 -0.26 0.00 0.00 64.21 66.76 1g98 n SER 274 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 1g98 h LEU 275 N 1.00 0.00 -0.08 1.04 8.10 -1.84 0.01 115.31 123.54 1g98 h LEU 275 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1g98 h LEU 275 Cb 0.55 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.77 1g98 h LEU 275 CO 0.00 0.00 0.00 0.79 -4.11 0.00 0.00 178.44 175.12 1g98 n TRP 276 N -2.85 0.59 -1.99 0.17 7.02 -1.26 -3.00 117.44 116.13 1g98 n TRP 276 Ca -0.03 0.18 0.00 0.00 -1.02 0.00 0.00 57.50 56.64 1g98 n TRP 276 Cb 0.09 -0.79 0.00 0.00 -2.42 0.00 0.00 31.31 28.18 1g98 n TRP 276 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1g98 n SER 277 N -1.99 0.01 0.15 -0.99 3.41 -0.01 -4.76 113.62 109.44 1g98 n SER 277 Ca 0.05 0.00 0.18 0.00 -0.26 0.00 0.00 58.87 58.85 1g98 n SER 277 Cb 0.36 0.00 0.79 0.00 -0.26 0.00 0.00 64.21 65.10 1g98 n SER 277 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g98 h ALA 278 N -0.99 1.96 -0.10 7.33 0.00 -1.80 0.42 119.26 126.08 1g98 h ALA 278 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1g98 h ALA 278 Cb 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1g98 h ALA 278 CO 0.00 -0.44 0.12 0.82 0.00 0.00 0.00 179.25 179.75 1g98 h ILE 279 N 0.00 0.48 -0.10 0.00 1.08 -1.85 0.43 117.51 117.55 1g98 h ILE 279 Ca 0.13 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.60 1g98 h ILE 279 Cb 0.73 0.90 0.00 0.00 -3.07 0.00 0.00 36.82 35.38 1g98 h ILE 279 CO -0.00 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.07 1g98 n GLY 280 N -1.37 0.19 0.26 5.37 0.00 0.15 -4.29 105.19 105.50 1g98 n GLY 280 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1g98 n GLY 280 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1g98 h LEU 281 N 0.60 0.43 -1.82 0.99 5.85 -1.07 -0.63 115.31 119.67 1g98 h LEU 281 Ca 0.00 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1g98 h LEU 281 Cb 0.32 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 1g98 h LEU 281 CO 0.02 0.26 -0.09 0.77 -0.34 0.00 0.00 178.44 179.05 1g98 h SER 282 N 0.58 0.00 0.06 1.25 4.64 -1.84 -0.11 113.55 118.13 1g98 h SER 282 Ca 0.33 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1g98 h SER 282 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1g98 h SER 282 CO -0.25 0.09 -0.03 0.40 -0.87 0.00 0.00 176.83 176.17 1g98 h ILE 283 N 0.00 1.14 -0.81 0.95 2.04 -1.44 -1.87 117.51 117.52 1g98 h ILE 283 Ca -0.00 -0.68 0.02 0.00 1.00 0.00 0.00 64.86 65.19 1g98 h ILE 283 Cb 0.17 1.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 1g98 h ILE 283 CO 0.01 0.17 0.53 0.00 0.00 0.00 0.00 178.15 178.87 1g98 h ALA 284 N 0.53 1.05 -0.24 1.87 0.00 -0.73 -1.11 119.26 120.63 1g98 h ALA 284 Ca -0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1g98 h ALA 284 Cb 0.34 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1g98 h ALA 284 CO 0.01 0.40 -0.05 -0.07 0.00 0.00 0.00 179.25 179.55 1g98 h LEU 285 N 1.07 0.34 0.09 0.00 3.38 -0.99 0.31 115.31 119.50 1g98 h LEU 285 Ca 0.31 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 58.06 1g98 h LEU 285 Cb -0.07 -0.09 0.02 0.00 0.09 0.00 0.00 40.66 40.60 1g98 h LEU 285 CO -0.08 0.44 -0.66 -0.74 0.09 0.00 0.00 178.44 177.49 1g98 h HIS 286 N 0.35 0.49 -0.14 1.13 2.76 -0.53 -3.38 115.15 115.84 1g98 h HIS 286 Ca 0.08 -0.33 0.00 0.00 -2.20 0.00 0.00 60.37 57.91 1g98 h HIS 286 Cb 0.32 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.25 1g98 h HIS 286 CO 0.01 1.22 0.00 1.33 -1.30 0.00 0.00 177.93 179.19 1g98 n VAL 287 N -4.21 0.39 0.00 5.26 0.24 -0.50 -4.24 118.33 115.27 1g98 n VAL 287 Ca -0.12 -0.70 0.00 0.00 -2.04 0.00 0.00 64.34 61.48 1g98 n VAL 287 Cb 0.74 0.94 0.00 0.00 -1.47 0.00 0.00 33.84 34.05 1g98 n VAL 287 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1g98 n GLY 288 N 0.55 -0.82 0.15 7.63 0.00 0.11 -4.29 105.19 108.52 1g98 n GLY 288 Ca 0.08 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.53 1g98 n GLY 288 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1g98 h PHE 289 N 0.00 0.00 -0.19 1.61 3.57 -1.94 -2.07 116.94 117.92 1g98 h PHE 289 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1g98 h PHE 289 Cb 0.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1g98 h PHE 289 CO 0.00 0.54 0.10 -0.44 -2.23 0.00 0.00 178.31 176.28 1g98 h ASP 290 N 0.00 0.25 -0.44 0.41 3.32 -1.94 0.19 116.42 118.20 1g98 h ASP 290 Ca -0.01 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 56.89 1g98 h ASP 290 Cb 0.98 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.44 1g98 h ASP 290 CO 0.07 0.28 0.08 0.78 -1.72 0.00 0.00 179.24 178.73 1g98 h ASN 291 N 0.20 0.75 -0.48 6.45 -0.26 -1.72 -1.04 115.58 119.48 1g98 h ASN 291 Ca 0.07 -0.15 -0.10 0.00 -0.56 0.00 0.00 56.30 55.56 1g98 h ASN 291 Cb 0.09 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 37.13 1g98 h ASN 291 CO -0.01 0.77 -0.07 0.15 -1.06 0.00 0.00 177.43 177.21 1g98 h PHE 292 N 0.76 1.03 0.00 1.19 3.57 -0.96 -1.41 116.94 121.12 1g98 h PHE 292 Ca 0.16 -0.19 -0.09 0.00 3.53 0.00 0.00 57.97 61.38 1g98 h PHE 292 Cb 0.35 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 1g98 h PHE 292 CO 0.02 0.96 -0.42 0.93 -2.23 0.00 0.00 178.31 177.56 1g98 h GLU 293 N 0.85 0.00 -0.33 1.11 5.08 -0.12 -1.73 114.58 119.43 1g98 h GLU 293 Ca 0.14 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.35 1g98 h GLU 293 Cb 0.60 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1g98 h GLU 293 CO 0.04 0.42 -0.41 1.96 -1.00 0.00 0.00 179.01 180.02 1g98 h GLN 294 N 0.00 0.81 -0.19 2.33 1.08 -0.73 0.21 115.11 118.61 1g98 h GLN 294 Ca -0.00 -0.43 0.00 0.00 -1.45 0.00 0.00 58.65 56.77 1g98 h GLN 294 Cb 0.81 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.25 1g98 h GLN 294 CO 0.06 1.06 0.12 1.25 -0.95 0.00 0.00 178.83 180.37 1g98 h LEU 295 N 0.66 0.22 -0.76 1.46 5.85 -0.81 0.30 115.31 122.22 1g98 h LEU 295 Ca 0.05 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1g98 h LEU 295 Cb 0.97 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 1g98 h LEU 295 CO 0.09 0.16 0.32 -0.07 -0.34 0.00 0.00 178.44 178.61 1g98 h LEU 296 N 0.25 1.03 -1.10 2.25 3.38 -1.20 -2.69 115.31 117.24 1g98 h LEU 296 Ca 0.07 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1g98 h LEU 296 Cb -0.02 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 1g98 h LEU 296 CO -0.01 0.91 0.31 0.28 0.09 0.00 0.00 178.44 180.02 1g98 h SER 297 N 1.09 0.85 -0.56 -0.43 0.02 -0.39 0.02 113.55 114.15 1g98 h SER 297 Ca 0.26 -0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 1g98 h SER 297 Cb 0.19 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1g98 h SER 297 CO -0.02 0.73 0.17 1.23 -1.14 0.00 0.00 176.83 177.79 1g98 h GLY 298 N 1.02 0.95 1.08 -3.77 0.00 -0.65 -0.50 103.07 101.19 1g98 h GLY 298 Ca 0.23 -0.57 -0.09 0.00 0.00 0.00 0.00 47.33 46.90 1g98 h GLY 298 CO -0.03 0.53 0.05 0.00 0.00 0.00 0.00 176.54 177.10 1g98 h ALA 299 N 1.04 0.86 -0.55 3.60 0.00 -1.12 -2.26 119.26 120.81 1g98 h ALA 299 Ca 0.18 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1g98 h ALA 299 Cb 0.30 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1g98 h ALA 299 CO -0.00 0.66 0.22 1.25 0.00 0.00 0.00 179.25 181.38 1g98 h HIS 300 N 1.01 0.80 -0.40 0.00 6.17 -0.63 0.96 115.15 123.06 1g98 h HIS 300 Ca 0.19 -0.04 -0.05 0.00 0.71 0.00 0.00 60.37 61.18 1g98 h HIS 300 Cb 0.50 -0.25 -0.02 0.00 2.52 0.00 0.00 27.41 30.17 1g98 h HIS 300 CO 0.04 0.63 0.07 2.35 0.71 0.00 0.00 177.93 181.72 1g98 h TRP 301 N 0.79 0.71 -0.26 5.26 7.01 -0.77 -1.56 115.95 127.14 1g98 h TRP 301 Ca 0.19 -0.10 -0.09 0.00 2.11 0.00 0.00 58.89 61.00 1g98 h TRP 301 Cb 0.16 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 27.02 1g98 h TRP 301 CO 0.01 0.69 -0.24 1.98 -2.79 0.00 0.00 178.44 178.09 1g98 h MET 302 N 0.51 0.49 -0.46 2.65 4.05 -0.83 -1.23 114.93 120.11 1g98 h MET 302 Ca 0.12 -0.18 -0.01 0.00 -0.28 0.00 0.00 59.70 59.35 1g98 h MET 302 Cb 0.37 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.11 1g98 h MET 302 CO 0.01 0.69 0.26 -0.44 0.23 0.00 0.00 176.91 177.66 1g98 h ASP 303 N 0.43 0.57 -0.63 1.39 3.32 -0.48 -0.04 116.42 120.99 1g98 h ASP 303 Ca 0.07 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 56.94 1g98 h ASP 303 Cb 0.65 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1g98 h ASP 303 CO 0.05 0.50 0.07 1.56 -1.72 0.00 0.00 179.24 179.69 1g98 h GLN 304 N 0.61 1.08 -0.21 3.56 4.20 -0.97 -0.77 115.11 122.60 1g98 h GLN 304 Ca 0.16 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.57 1g98 h GLN 304 Cb 0.05 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1g98 h GLN 304 CO -0.03 1.01 0.14 1.25 -0.67 0.00 0.00 178.83 180.53 1g98 h HIS 305 N 1.00 0.27 -0.97 2.96 2.76 -0.87 0.19 115.15 120.49 1g98 h HIS 305 Ca 0.19 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 1g98 h HIS 305 Cb 0.47 -0.09 -0.05 0.00 1.55 0.00 0.00 27.41 29.30 1g98 h HIS 305 CO 0.03 0.17 0.61 0.35 -1.30 0.00 0.00 177.93 177.80 1g98 h PHE 306 N 0.28 1.24 0.00 5.26 3.57 -0.75 -1.95 116.94 124.60 1g98 h PHE 306 Ca 0.08 0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.39 1g98 h PHE 306 Cb -0.03 -0.41 -0.03 0.00 2.79 0.00 0.00 35.95 38.27 1g98 h PHE 306 CO -0.06 0.80 -0.95 -0.09 -2.23 0.00 0.00 178.31 175.79 1g98 h ARG 307 N 1.32 0.01 -0.01 1.11 2.43 -0.72 -3.37 114.38 115.15 1g98 h ARG 307 Ca 0.35 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 1g98 h ARG 307 Cb -0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1g98 h ARG 307 CO -0.07 0.95 -0.34 0.25 -1.51 0.00 0.00 179.97 179.25 1g98 n THR 308 N -3.42 0.00 -3.52 0.20 -2.24 0.02 -5.00 114.28 100.32 1g98 n THR 308 Ca -0.00 -0.33 -0.37 0.00 -2.27 0.00 0.00 64.05 61.08 1g98 n THR 308 Cb 0.89 1.15 -0.07 0.00 -2.10 0.00 0.00 70.33 70.20 1g98 n THR 308 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1g98 s THR 309 N -1.81 5.26 0.28 4.28 2.01 -0.74 -5.04 115.64 119.89 1g98 s THR 309 Ca 0.11 0.63 -0.29 0.00 0.31 0.00 0.00 61.69 62.44 1g98 s THR 309 Cb 0.11 -3.66 -0.14 0.00 0.01 0.00 0.00 72.50 68.83 1g98 s THR 309 CO 0.38 0.42 1.22 -2.65 -0.69 0.00 0.00 174.62 173.30 1g98 n PRO 310 N 3.28 1.73 -0.33 4.92 -0.02 -1.26 -4.67 135.00 138.65 1g98 n PRO 310 Ca -0.12 0.61 0.16 0.00 -2.02 0.00 0.00 63.50 62.13 1g98 n PRO 310 Cb 0.52 -2.13 0.32 0.00 -0.02 0.00 0.00 33.50 32.18 1g98 n PRO 310 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1g98 h LEU 311 N 2.93 -0.34 -2.50 2.45 3.38 -1.96 -0.86 115.31 118.42 1g98 h LEU 311 Ca -0.43 0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.82 1g98 h LEU 311 Cb 1.31 0.43 -0.00 0.00 0.09 0.00 0.00 40.66 42.49 1g98 h LEU 311 CO 0.66 -0.33 0.12 1.05 0.09 0.00 0.00 178.44 180.03 1g98 h GLU 312 N 0.04 0.00 0.00 1.13 9.09 -1.97 -1.91 114.58 120.96 1g98 h GLU 312 Ca 0.61 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 60.02 1g98 h GLU 312 Cb 1.30 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.39 1g98 h GLU 312 CO -0.86 0.00 -0.16 1.63 0.05 0.00 0.00 179.01 179.66 1g98 n LYS 313 N -3.38 1.15 -3.31 1.06 4.76 -0.35 -5.00 118.16 113.10 1g98 n LYS 313 Ca -0.01 -2.50 -0.43 0.00 -2.87 0.00 0.00 58.31 52.50 1g98 n LYS 313 Cb 0.21 -1.37 -0.08 0.00 -1.84 0.00 0.00 35.03 31.95 1g98 n LYS 313 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1g98 s ASN 314 N -2.70 6.20 0.11 4.39 3.84 -0.72 -4.88 114.94 121.17 1g98 s ASN 314 Ca 0.29 -0.75 -0.28 0.00 0.21 0.00 0.00 52.86 52.33 1g98 s ASN 314 Cb 0.26 -2.23 -0.10 0.00 -0.55 0.00 0.00 41.25 38.64 1g98 s ASN 314 CO 0.01 -0.62 1.46 0.00 -2.79 0.00 0.00 177.10 175.15 1g98 h ALA 315 N 8.76 -0.74 -0.38 1.71 0.00 -1.92 -0.36 119.26 126.34 1g98 h ALA 315 Ca -0.27 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1g98 h ALA 315 Cb 1.11 1.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.91 1g98 h ALA 315 CO 0.82 -0.95 0.22 -1.00 0.00 0.00 0.00 179.25 178.35 1g98 h PRO 316 N -0.37 0.51 -0.38 0.00 0.13 -1.93 -1.42 132.00 128.53 1g98 h PRO 316 Ca 0.05 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 65.08 1g98 h PRO 316 Cb 0.52 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.52 1g98 h PRO 316 CO -0.47 0.36 -0.02 0.28 -0.23 0.00 0.00 178.00 177.92 1g98 h VAL 317 N 0.52 1.26 -0.22 1.56 2.07 -1.73 -0.15 116.25 119.57 1g98 h VAL 317 Ca 0.14 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1g98 h VAL 317 Cb -0.01 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1g98 h VAL 317 CO -0.03 0.35 0.10 -0.07 0.02 0.00 0.00 177.57 177.95 1g98 h LEU 318 N 0.51 0.28 -0.58 2.57 3.38 -0.68 0.38 115.31 121.17 1g98 h LEU 318 Ca 0.11 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1g98 h LEU 318 Cb 0.51 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1g98 h LEU 318 CO 0.02 0.33 0.38 -0.07 0.09 0.00 0.00 178.44 179.19 1g98 h LEU 319 N 0.22 0.65 -0.11 1.67 3.38 -1.19 -1.20 115.31 118.73 1g98 h LEU 319 Ca 0.07 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1g98 h LEU 319 Cb 0.12 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1g98 h LEU 319 CO -0.01 0.47 0.07 0.00 0.09 0.00 0.00 178.44 179.06 1g98 h ALA 320 N 1.22 0.14 -0.16 1.53 0.00 -0.71 -2.01 119.26 119.27 1g98 h ALA 320 Ca 0.22 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 1g98 h ALA 320 Cb -0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1g98 h ALA 320 CO -0.05 -0.34 -0.37 0.52 0.00 0.00 0.00 179.25 179.01 1g98 h MET 321 N 0.11 0.34 -0.50 0.00 2.86 -0.78 -0.79 114.93 116.18 1g98 h MET 321 Ca 0.04 -0.15 -0.05 0.00 -2.06 0.00 0.00 59.70 57.48 1g98 h MET 321 Cb 0.04 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 1g98 h MET 321 CO -0.01 0.67 0.12 -0.07 1.06 0.00 0.00 176.91 178.68 1g98 h LEU 322 N 0.29 0.70 -0.52 1.22 3.38 -1.09 -0.93 115.31 118.37 1g98 h LEU 322 Ca 0.03 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 1g98 h LEU 322 Cb 0.78 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1g98 h LEU 322 CO 0.06 0.69 -0.04 1.23 0.09 0.00 0.00 178.44 180.47 1g98 h GLY 323 N 0.92 1.03 0.97 0.83 0.00 -0.58 -2.31 103.07 103.93 1g98 h GLY 323 Ca 0.16 -0.79 0.02 0.00 0.00 0.00 0.00 47.33 46.72 1g98 h GLY 323 CO -0.00 0.73 0.58 -2.22 0.00 0.00 0.00 176.54 175.63 1g98 h ILE 324 N 0.82 1.20 0.18 2.60 1.08 -0.56 0.13 117.51 122.96 1g98 h ILE 324 Ca 0.14 -0.40 0.01 0.00 -0.39 0.00 0.00 64.86 64.22 1g98 h ILE 324 Cb 0.59 -0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 34.23 1g98 h ILE 324 CO 0.04 0.22 -0.24 -0.25 -0.69 0.00 0.00 178.15 177.22 1g98 h TRP 325 N 1.18 -0.63 -0.23 1.37 -0.00 -0.87 0.23 115.95 117.00 1g98 h TRP 325 Ca 0.33 0.01 -0.11 0.00 -0.00 0.00 0.00 58.89 59.12 1g98 h TRP 325 Cb -0.10 0.25 -0.01 0.00 -0.00 0.00 0.00 29.16 29.30 1g98 h TRP 325 CO -0.01 -0.34 -0.32 1.88 -0.00 0.00 0.00 178.44 179.64 1g98 h TYR 326 N -0.47 0.56 0.11 2.65 0.05 -1.05 -1.15 116.97 117.68 1g98 h TYR 326 Ca 0.01 -0.14 -0.01 0.00 0.05 0.00 0.00 58.73 58.65 1g98 h TYR 326 Cb 0.47 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.08 1g98 h TYR 326 CO -0.19 0.76 -0.06 0.82 -1.05 0.00 0.00 178.16 178.44 1g98 h ILE 327 N 0.42 0.37 0.00 -2.88 2.04 -0.54 0.12 117.51 117.04 1g98 h ILE 327 Ca 0.05 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 64.80 1g98 h ILE 327 Cb 0.77 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1g98 h ILE 327 CO 0.06 0.11 -0.35 0.78 0.00 0.00 0.00 178.15 178.76 1g98 h ASN 328 N -1.01 0.00 0.00 1.72 4.21 -0.67 -2.58 115.58 117.26 1g98 h ASN 328 Ca -0.02 -0.05 -0.30 0.00 1.21 0.00 0.00 56.30 57.14 1g98 h ASN 328 Cb 0.31 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.46 1g98 h ASN 328 CO 0.03 0.03 -1.99 0.00 -1.29 0.00 0.00 177.43 174.20 1g98 n PHE 330 N -3.76 0.60 -1.75 0.00 3.01 -0.82 -4.97 117.46 109.78 1g98 n PHE 330 Ca -0.35 0.18 -0.08 0.00 1.01 0.00 0.00 57.45 58.21 1g98 n PHE 330 Cb 0.75 -0.69 -0.02 0.00 -0.01 0.00 0.00 39.48 39.51 1g98 n PHE 330 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1g98 n GLY 331 N 1.33 0.47 3.69 1.37 0.00 0.06 -4.96 105.19 107.15 1g98 n GLY 331 Ca 0.03 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 1g98 n GLY 331 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g98 h GLU 333 N 7.60 0.00 -5.71 0.00 5.08 -1.89 -3.40 114.58 116.27 1g98 h GLU 333 Ca -0.36 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.37 1g98 h GLU 333 Cb 1.17 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.29 1g98 h GLU 333 CO 0.89 0.60 -0.62 0.95 -1.00 0.00 0.00 179.01 179.83 1g98 s THR 334 N -3.31 2.03 -0.08 1.13 -4.23 -1.26 -0.61 115.64 109.32 1g98 s THR 334 Ca 0.01 -2.04 -0.03 0.00 -1.18 0.00 0.00 61.69 58.44 1g98 s THR 334 Cb 0.11 -2.92 0.04 0.00 1.34 0.00 0.00 72.50 71.07 1g98 s THR 334 CO 0.75 -0.04 0.08 -1.58 -0.54 0.00 0.00 174.62 173.29 1g98 s GLN 335 N -3.69 -0.03 0.01 3.99 2.00 -0.27 -4.19 119.66 117.48 1g98 s GLN 335 Ca 0.34 0.29 -0.12 0.00 -2.00 0.00 0.00 55.36 53.88 1g98 s GLN 335 Cb 0.08 -0.80 -0.05 0.00 0.80 0.00 0.00 33.01 33.03 1g98 s GLN 335 CO 0.18 -0.41 0.37 0.00 -0.50 0.00 0.00 175.29 174.92 1g98 s ALA 336 N 2.18 3.74 -0.24 1.58 0.00 -0.66 -2.07 121.76 126.29 1g98 s ALA 336 Ca 0.04 -0.34 0.02 0.00 0.00 0.00 0.00 51.96 51.68 1g98 s ALA 336 Cb -0.13 -2.28 0.06 0.00 0.00 0.00 0.00 23.12 20.77 1g98 s ALA 336 CO -0.05 0.53 -0.09 0.08 0.00 0.00 0.00 175.76 176.24 1g98 s VAL 337 N -1.19 1.84 -0.54 0.00 1.01 0.15 -1.46 120.40 120.21 1g98 s VAL 337 Ca 0.26 -1.37 0.04 0.00 0.00 0.00 0.00 61.98 60.90 1g98 s VAL 337 Cb -0.15 -2.00 0.13 0.00 0.00 0.00 0.00 36.38 34.36 1g98 s VAL 337 CO 0.14 -0.02 0.28 -0.76 0.00 0.00 0.00 175.10 174.74 1g98 s LEU 338 N 1.26 4.37 -0.09 3.92 1.43 0.22 -3.91 118.68 125.89 1g98 s LEU 338 Ca -0.06 -3.09 -0.28 0.00 -1.03 0.00 0.00 54.13 49.67 1g98 s LEU 338 Cb -0.19 -1.64 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 1g98 s LEU 338 CO -0.06 -0.22 0.91 -2.16 0.23 0.00 0.00 176.35 175.05 1g98 s PRO 339 N -0.40 4.43 -1.31 1.29 0.04 -1.26 -2.08 135.00 135.71 1g98 s PRO 339 Ca 0.18 1.23 -0.08 0.00 0.04 0.00 0.00 61.00 62.37 1g98 s PRO 339 Cb -0.24 -3.51 0.14 0.00 0.04 0.00 0.00 34.50 30.93 1g98 s PRO 339 CO -0.01 -0.18 2.12 0.66 0.04 0.00 0.00 177.00 179.63 1g98 n TYR 340 N 4.55 2.77 -3.52 0.56 4.02 0.14 -0.57 117.16 125.11 1g98 n TYR 340 Ca 0.05 -2.81 0.00 0.00 -0.01 0.00 0.00 57.90 55.14 1g98 n TYR 340 Cb 0.50 -1.92 -0.03 0.00 -0.02 0.00 0.00 39.34 37.86 1g98 n TYR 340 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1g98 s ASP 341 N 0.71 -1.08 0.43 7.72 2.15 -1.26 -4.68 116.67 120.66 1g98 s ASP 341 Ca 0.46 1.32 0.12 0.00 0.43 0.00 0.00 52.55 54.88 1g98 s ASP 341 Cb 0.14 2.16 0.93 0.00 -0.30 0.00 0.00 42.92 45.85 1g98 s ASP 341 CO -0.04 -0.21 1.99 -0.61 -0.17 0.00 0.00 175.17 176.13 1g98 h GLN 342 N 7.92 0.17 0.00 4.34 5.75 -1.86 -1.79 115.11 129.64 1g98 h GLN 342 Ca -0.18 -0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 58.23 1g98 h GLN 342 Cb 1.11 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.63 1g98 h GLN 342 CO 0.12 0.26 -0.27 1.88 -2.65 0.00 0.00 178.83 178.17 1g98 h TYR 343 N 0.17 0.00 -0.38 3.99 0.99 -1.90 -2.33 116.97 117.50 1g98 h TYR 343 Ca 0.04 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.62 1g98 h TYR 343 Cb 0.25 0.00 -0.09 0.00 1.00 0.00 0.00 36.73 37.90 1g98 h TYR 343 CO 0.00 0.27 0.19 1.28 -0.00 0.00 0.00 178.16 179.90 1g98 n LEU 344 N -4.03 4.13 0.21 3.88 4.77 -0.67 -2.82 117.00 122.46 1g98 n LEU 344 Ca -0.02 -2.14 0.14 0.00 -0.03 0.00 0.00 56.01 53.96 1g98 n LEU 344 Cb 0.34 -0.63 0.75 0.00 -2.33 0.00 0.00 43.42 41.55 1g98 n LEU 344 CO 0.36 0.63 0.92 1.12 -1.33 0.00 0.00 177.39 179.09 1g98 h HIS 345 N 0.96 0.00 -0.19 -1.77 2.07 -1.50 -0.97 115.15 113.74 1g98 h HIS 345 Ca 0.18 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.70 1g98 h HIS 345 Cb 1.60 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.58 1g98 h HIS 345 CO 0.64 0.00 0.00 0.54 -3.07 0.00 0.00 177.93 176.04 1g98 n ARG 346 N -2.47 2.87 -0.02 5.12 5.12 -1.26 -4.68 116.66 121.34 1g98 n ARG 346 Ca -0.02 -1.89 -0.12 0.00 -1.93 0.00 0.00 57.85 53.89 1g98 n ARG 346 Cb 0.05 -1.20 -0.07 0.00 -1.16 0.00 0.00 32.46 30.07 1g98 n ARG 346 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 1g98 h PHE 347 N 1.13 0.13 -0.51 -1.55 3.57 -1.51 -1.28 116.94 116.92 1g98 h PHE 347 Ca 0.00 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.50 1g98 h PHE 347 Cb 0.69 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.36 1g98 h PHE 347 CO 0.14 0.34 0.32 0.00 -2.23 0.00 0.00 178.31 176.88 1g98 h ALA 348 N 0.78 0.65 -0.50 2.41 0.00 -1.84 -2.19 119.26 118.58 1g98 h ALA 348 Ca 0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1g98 h ALA 348 Cb 0.28 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1g98 h ALA 348 CO 0.00 0.05 0.20 0.00 0.00 0.00 0.00 179.25 179.50 1g98 h ALA 349 N 1.21 1.42 -0.34 0.00 0.00 -1.83 0.35 119.26 120.07 1g98 h ALA 349 Ca 0.20 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1g98 h ALA 349 Cb -0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1g98 h ALA 349 CO -0.07 0.45 0.15 -0.92 0.00 0.00 0.00 179.25 178.85 1g98 h TYR 350 N 0.71 0.50 0.00 0.00 3.20 -0.64 -2.52 116.97 118.22 1g98 h TYR 350 Ca 0.17 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.01 1g98 h TYR 350 Cb 0.14 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.26 1g98 h TYR 350 CO 0.01 0.46 0.00 1.19 -1.64 0.00 0.00 178.16 178.17 1g98 n PHE 351 N -4.72 0.86 -0.23 -3.82 3.01 -0.91 -1.17 117.46 110.48 1g98 n PHE 351 Ca -0.01 0.25 -0.06 0.00 1.01 0.00 0.00 57.45 58.64 1g98 n PHE 351 Cb 0.12 -0.91 0.09 0.00 -0.01 0.00 0.00 39.48 38.77 1g98 n PHE 351 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 1g98 h GLN 352 N 0.00 1.08 0.07 -1.08 4.15 -0.53 0.85 115.11 119.65 1g98 h GLN 352 Ca 0.00 -0.24 -0.00 0.00 0.77 0.00 0.00 58.65 59.18 1g98 h GLN 352 Cb 0.71 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.25 1g98 h GLN 352 CO 0.00 0.94 -0.04 0.37 -1.93 0.00 0.00 178.83 178.17 1g98 h GLN 353 N 1.03 -0.10 -0.95 1.69 4.15 -1.06 -2.85 115.11 117.02 1g98 h GLN 353 Ca 0.22 0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.76 1g98 h GLN 353 Cb 0.33 0.02 -0.08 0.00 0.21 0.00 0.00 27.48 27.96 1g98 h GLN 353 CO -0.00 0.46 0.58 0.78 -1.93 0.00 0.00 178.83 178.72 1g98 h GLY 354 N -0.88 1.52 0.06 2.39 0.00 -1.05 -0.80 103.07 104.32 1g98 h GLY 354 Ca -0.01 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 1g98 h GLY 354 CO 0.02 0.17 -0.03 -1.80 0.00 0.00 0.00 176.54 174.90 1g98 h ASP 355 N 0.95 -0.07 -0.89 0.19 1.82 -0.97 -3.15 116.42 114.31 1g98 h ASP 355 Ca 0.46 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 57.05 1g98 h ASP 355 Cb 0.42 0.02 -0.04 0.00 0.68 0.00 0.00 39.33 40.41 1g98 h ASP 355 CO -0.25 0.45 0.57 0.24 -1.61 0.00 0.00 179.24 178.64 1g98 h MET 356 N -1.02 1.18 0.00 0.28 2.86 -1.52 0.31 114.93 117.02 1g98 h MET 356 Ca -0.01 -0.08 -0.10 0.00 -2.06 0.00 0.00 59.70 57.45 1g98 h MET 356 Cb 0.12 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 1g98 h MET 356 CO 0.01 0.80 -0.46 1.49 1.06 0.00 0.00 176.91 179.81 1g98 h GLU 357 N 1.21 0.00 0.02 1.72 4.81 -1.32 -0.64 114.58 120.38 1g98 h GLU 357 Ca 0.32 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1g98 h GLU 357 Cb -0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.27 1g98 h GLU 357 CO -0.07 0.46 -0.01 0.77 -0.73 0.00 0.00 179.01 179.43 1g98 h SER 358 N 0.00 -0.03 -0.55 1.04 0.02 -1.32 -3.40 113.55 109.32 1g98 h SER 358 Ca -0.00 -0.65 0.00 0.00 -0.84 0.00 0.00 61.79 60.29 1g98 h SER 358 Cb 1.01 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.56 1g98 h SER 358 CO 0.06 0.77 0.00 0.59 -1.14 0.00 0.00 176.83 177.11 1g98 n ASN 359 N -4.71 3.50 -4.10 3.07 5.03 0.03 -4.15 115.26 113.94 1g98 n ASN 359 Ca -0.07 -1.98 -0.43 0.00 0.87 0.00 0.00 54.58 52.96 1g98 n ASN 359 Cb 0.33 -0.37 0.00 0.00 -1.02 0.00 0.00 39.78 38.72 1g98 n ASN 359 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1g98 n GLY 360 N 1.21 3.93 3.22 7.41 0.00 -0.25 -1.45 105.19 119.26 1g98 n GLY 360 Ca 0.19 -1.80 -0.13 0.00 0.00 0.00 0.00 46.02 44.28 1g98 n GLY 360 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g98 s LYS 361 N 2.24 0.99 0.00 1.61 -0.14 -1.26 -4.97 119.74 118.21 1g98 s LYS 361 Ca 0.45 -1.42 0.00 0.00 -1.36 0.00 0.00 55.97 53.64 1g98 s LYS 361 Cb 0.07 -0.46 0.00 0.00 -1.68 0.00 0.00 37.83 35.76 1g98 s LYS 361 CO -0.01 0.03 0.49 2.48 -0.76 0.00 0.00 175.35 177.58 1g98 n TYR 362 N -0.15 0.00 -4.91 3.18 0.18 -1.26 -4.73 117.16 109.47 1g98 n TYR 362 Ca -0.11 -0.07 -0.30 0.00 1.88 0.00 0.00 57.90 59.31 1g98 n TYR 362 Cb 0.61 -0.01 -0.17 0.00 -0.38 0.00 0.00 39.34 39.39 1g98 n TYR 362 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1g98 s ILE 363 N -0.13 1.77 0.82 -3.48 -1.09 -1.26 -1.16 121.20 116.66 1g98 s ILE 363 Ca 0.00 -0.84 -0.12 0.00 -2.23 0.00 0.00 60.65 57.46 1g98 s ILE 363 Cb 0.00 -1.56 0.10 0.00 -1.58 0.00 0.00 42.46 39.42 1g98 s ILE 363 CO 0.00 0.49 1.18 0.42 -1.23 0.00 0.00 174.94 175.81 1g98 s THR 364 N 0.56 2.03 0.30 2.92 -4.23 0.43 -4.49 115.64 113.15 1g98 s THR 364 Ca -0.15 -0.03 0.36 0.00 -1.18 0.00 0.00 61.69 60.69 1g98 s THR 364 Cb -0.17 -3.00 0.38 0.00 1.34 0.00 0.00 72.50 71.05 1g98 s THR 364 CO 0.05 0.00 2.11 0.11 -0.54 0.00 0.00 174.62 176.35 1g98 h LYS 365 N -1.09 0.00 -0.01 3.99 1.57 -0.95 -0.72 116.57 119.37 1g98 h LYS 365 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1g98 h LYS 365 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1g98 h LYS 365 CO 0.61 0.00 -0.27 -1.13 -0.57 0.00 0.00 179.45 178.09 1g98 n SER 366 N -2.85 1.22 0.00 0.86 3.41 -1.26 -4.93 113.62 110.07 1g98 n SER 366 Ca -0.02 -1.03 0.00 0.00 -0.26 0.00 0.00 58.87 57.56 1g98 n SER 366 Cb 0.12 0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 1g98 n SER 366 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1g98 n GLY 367 N 1.34 0.52 3.79 5.00 0.00 -0.27 -5.06 105.19 110.50 1g98 n GLY 367 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1g98 n GLY 367 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g98 s ALA 368 N -2.24 3.15 0.08 4.61 0.00 -1.26 -4.73 121.76 121.37 1g98 s ALA 368 Ca 0.00 0.57 -0.30 0.00 0.00 0.00 0.00 51.96 52.23 1g98 s ALA 368 Cb 0.00 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 1g98 s ALA 368 CO 0.00 0.04 0.97 0.50 0.00 0.00 0.00 175.76 177.26 1g98 s ARG 369 N -2.37 4.66 0.59 0.00 3.52 -1.26 -0.43 118.95 123.67 1g98 s ARG 369 Ca 0.54 1.45 -0.19 0.00 -0.13 0.00 0.00 55.73 57.40 1g98 s ARG 369 Cb -0.18 -3.40 -0.04 0.00 -1.56 0.00 0.00 34.95 29.77 1g98 s ARG 369 CO 0.24 0.15 1.21 0.14 -0.81 0.00 0.00 175.30 176.22 1g98 s VAL 370 N 0.24 2.62 -0.20 7.11 -7.23 -0.31 -4.20 120.40 118.43 1g98 s VAL 370 Ca 0.48 0.39 0.12 0.00 -1.81 0.00 0.00 61.98 61.16 1g98 s VAL 370 Cb -0.23 -3.16 0.43 0.00 0.56 0.00 0.00 36.38 33.98 1g98 s VAL 370 CO 0.29 -0.08 1.21 -0.90 -0.31 0.00 0.00 175.10 175.32 1g98 n ASP 371 N -1.55 1.92 -3.95 4.85 5.75 -1.26 -5.00 116.55 117.32 1g98 n ASP 371 Ca 0.13 -3.70 -0.09 0.00 -0.01 0.00 0.00 54.79 51.12 1g98 n ASP 371 Cb 0.49 -0.49 -0.05 0.00 -1.03 0.00 0.00 41.12 40.04 1g98 n ASP 371 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 1g98 s HIS 372 N -2.98 0.27 0.52 2.11 -3.43 -1.26 -5.04 115.29 105.48 1g98 s HIS 372 Ca 0.39 -0.63 -0.19 0.00 -0.80 0.00 0.00 55.06 53.82 1g98 s HIS 372 Cb 0.37 0.21 -0.07 0.00 -1.43 0.00 0.00 32.58 31.67 1g98 s HIS 372 CO -0.07 -0.95 1.08 -0.65 -2.00 0.00 0.00 174.74 172.15 1g98 s GLN 373 N -3.98 3.54 0.00 -0.38 -1.52 -1.26 -5.06 119.66 111.00 1g98 s GLN 373 Ca 0.19 1.46 0.00 0.00 -1.95 0.00 0.00 55.36 55.06 1g98 s GLN 373 Cb -0.00 -2.05 0.00 0.00 -0.22 0.00 0.00 33.01 30.74 1g98 s GLN 373 CO 0.06 -0.67 0.00 0.25 -0.25 0.00 0.00 175.29 174.68 1g98 n THR 374 N -1.24 0.00 -1.46 -0.19 -2.24 -1.26 -4.88 114.28 103.02 1g98 n THR 374 Ca 0.10 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.44 1g98 n THR 374 Cb 0.52 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.74 1g98 n THR 374 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1g98 n GLY 375 N 5.00 -1.36 3.97 3.38 0.00 -0.53 -5.00 105.19 110.65 1g98 n GLY 375 Ca 0.00 0.21 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 1g98 n GLY 375 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1g98 s PRO 376 N -1.34 2.31 -0.24 1.61 0.04 -1.26 -4.84 135.00 131.28 1g98 s PRO 376 Ca 0.62 -0.73 -0.23 0.00 0.04 0.00 0.00 61.00 60.70 1g98 s PRO 376 Cb -0.74 -2.39 -0.01 0.00 0.04 0.00 0.00 34.50 31.40 1g98 s PRO 376 CO 0.58 -0.96 0.76 0.42 0.04 0.00 0.00 177.00 177.84 1g98 s ILE 377 N -2.94 4.89 -0.16 0.56 1.01 0.23 -4.60 121.20 120.19 1g98 s ILE 377 Ca 0.60 1.43 -0.09 0.00 0.00 0.00 0.00 60.65 62.58 1g98 s ILE 377 Cb -0.09 -4.06 -0.05 0.00 0.01 0.00 0.00 42.46 38.27 1g98 s ILE 377 CO 0.41 -0.03 0.15 -0.69 0.00 0.00 0.00 174.94 174.77 1g98 s VAL 378 N 2.70 5.44 0.31 2.92 1.01 -1.26 -1.11 120.40 130.40 1g98 s VAL 378 Ca 0.32 0.23 -0.16 0.00 0.00 0.00 0.00 61.98 62.38 1g98 s VAL 378 Cb -0.15 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.79 1g98 s VAL 378 CO 0.08 0.51 0.66 -1.66 0.00 0.00 0.00 175.10 174.70 1g98 s TRP 379 N -0.24 0.16 0.00 5.22 1.48 -0.88 -4.65 118.94 120.02 1g98 s TRP 379 Ca 0.12 -0.64 0.00 0.00 -1.06 0.00 0.00 56.10 54.52 1g98 s TRP 379 Cb -0.12 0.56 0.00 0.00 -1.16 0.00 0.00 33.47 32.75 1g98 s TRP 379 CO 0.01 -1.28 0.00 0.41 -4.06 0.00 0.00 176.95 172.03 1g98 n GLY 380 N -0.48 2.83 3.16 3.67 0.00 -1.26 -0.68 105.19 112.43 1g98 n GLY 380 Ca -0.04 -1.31 -0.10 0.00 0.00 0.00 0.00 46.02 44.56 1g98 n GLY 380 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1g98 s GLU 381 N -2.10 0.65 0.83 1.61 0.41 -1.25 -4.75 118.70 114.09 1g98 s GLU 381 Ca 0.00 -0.63 -0.13 0.00 -0.41 0.00 0.00 54.97 53.80 1g98 s GLU 381 Cb 0.00 0.27 0.10 0.00 -1.78 0.00 0.00 34.13 32.71 1g98 s GLU 381 CO 0.00 -0.18 1.19 -2.14 -0.49 0.00 0.00 175.26 173.64 1g98 s PRO 382 N -2.45 1.50 -0.03 0.39 0.01 -1.26 -4.37 135.00 128.78 1g98 s PRO 382 Ca -0.06 1.72 -0.07 0.00 0.01 0.00 0.00 61.00 62.60 1g98 s PRO 382 Cb -0.02 -1.76 -0.04 0.00 0.01 0.00 0.00 34.50 32.68 1g98 s PRO 382 CO -0.03 -2.31 0.22 0.20 0.01 0.00 0.00 177.00 175.09 1g98 s GLY 383 N -2.27 2.23 0.03 0.52 0.00 0.27 -3.58 107.32 104.51 1g98 s GLY 383 Ca 0.72 -0.60 0.23 0.00 0.00 0.00 0.00 44.72 45.06 1g98 s GLY 383 CO 0.52 -0.40 1.07 -1.30 0.00 0.00 0.00 173.10 172.99 1g98 n THR 384 N 1.39 0.10 -0.35 0.90 -2.24 -1.26 -4.04 114.28 108.78 1g98 n THR 384 Ca -0.14 -0.15 0.01 0.00 -2.27 0.00 0.00 64.05 61.50 1g98 n THR 384 Cb 0.53 0.37 0.07 0.00 -2.10 0.00 0.00 70.33 69.20 1g98 n THR 384 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1g98 n ASN 385 N -1.78 -0.52 -0.21 3.42 3.02 -1.25 -0.01 115.26 117.93 1g98 n ASN 385 Ca 0.03 1.60 0.26 0.00 -0.03 0.00 0.00 54.58 56.45 1g98 n ASN 385 Cb 0.40 -0.40 0.66 0.00 -0.61 0.00 0.00 39.78 39.82 1g98 n ASN 385 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1g98 h GLY 386 N 0.00 0.31 1.88 7.41 0.00 -1.85 0.82 103.07 111.63 1g98 h GLY 386 Ca 0.36 -0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.64 1g98 h GLY 386 CO -0.93 -0.01 0.05 1.46 0.00 0.00 0.00 176.54 177.11 1g98 h GLN 387 N 0.13 0.00 -0.46 4.80 4.20 -0.79 0.40 115.11 123.39 1g98 h GLN 387 Ca 0.46 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.17 1g98 h GLN 387 Cb 1.60 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.38 1g98 h GLN 387 CO -0.07 0.00 0.00 0.72 -0.67 0.00 0.00 178.83 178.81 1g98 n HIS 388 N -3.81 0.60 0.00 2.96 8.25 0.28 -4.66 115.22 118.83 1g98 n HIS 388 Ca -0.02 -0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.14 1g98 n HIS 388 Cb 0.14 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.25 1g98 n HIS 388 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1g98 n ALA 389 N 1.38 0.00 0.40 -1.41 0.00 0.05 -4.98 120.51 115.95 1g98 n ALA 389 Ca 0.20 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.74 1g98 n ALA 389 Cb 0.57 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.46 1g98 n ALA 389 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1g98 n PHE 390 N 0.00 0.59 0.33 0.00 1.16 -1.09 -2.29 117.46 116.15 1g98 n PHE 390 Ca 0.00 0.24 0.21 0.00 -1.87 0.00 0.00 57.45 56.03 1g98 n PHE 390 Cb 0.00 -0.88 1.13 0.00 -1.61 0.00 0.00 39.48 38.11 1g98 n PHE 390 CO 0.00 0.00 0.00 1.88 -1.87 0.00 0.00 176.76 176.77 1g98 h TYR 391 N 0.00 0.00 -0.51 2.97 -1.99 -1.60 -1.47 116.97 114.37 1g98 h TYR 391 Ca 0.00 0.00 0.07 0.00 2.00 0.00 0.00 58.73 60.80 1g98 h TYR 391 Cb 0.31 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 38.98 1g98 h TYR 391 CO 0.00 0.00 0.18 0.37 -0.00 0.00 0.00 178.16 178.71 1g98 h GLN 392 N 0.00 0.34 -0.16 4.88 5.75 -1.72 0.99 115.11 125.19 1g98 h GLN 392 Ca -0.00 -0.02 -0.16 0.00 -0.15 0.00 0.00 58.65 58.32 1g98 h GLN 392 Cb 0.06 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 1g98 h GLN 392 CO 0.00 0.22 -0.59 1.25 -2.65 0.00 0.00 178.83 177.07 1g98 h LEU 393 N 0.35 0.57 -1.03 -2.39 6.46 -1.51 0.64 115.31 118.40 1g98 h LEU 393 Ca 0.25 -0.32 -0.06 0.00 -0.12 0.00 0.00 57.88 57.63 1g98 h LEU 393 Cb 0.27 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.01 1g98 h LEU 393 CO -0.26 1.03 0.06 0.40 -0.62 0.00 0.00 178.44 179.06 1g98 h ILE 394 N 0.38 1.23 0.20 4.05 2.04 -1.18 0.18 117.51 124.41 1g98 h ILE 394 Ca -0.00 -0.87 -0.28 0.00 1.00 0.00 0.00 64.86 64.71 1g98 h ILE 394 Cb 1.13 0.80 0.03 0.00 -0.74 0.00 0.00 36.82 38.04 1g98 h ILE 394 CO 0.11 0.31 -1.23 0.45 0.00 0.00 0.00 178.15 177.79 1g98 h HIS 395 N 0.72 0.78 0.00 1.37 3.86 -0.67 -3.41 115.15 117.79 1g98 h HIS 395 Ca 0.15 -0.57 -0.01 0.00 -1.16 0.00 0.00 60.37 58.78 1g98 h HIS 395 Cb 0.35 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.76 1g98 h HIS 395 CO 0.02 1.47 -0.32 1.04 0.86 0.00 0.00 177.93 181.00 1g98 n GLN 396 N -3.88 0.70 -0.18 2.45 6.02 0.20 -4.65 117.38 118.04 1g98 n GLN 396 Ca -0.17 -1.97 0.00 0.00 -0.01 0.00 0.00 57.00 54.85 1g98 n GLN 396 Cb 0.99 -1.00 0.00 0.00 1.02 0.00 0.00 30.24 31.25 1g98 n GLN 396 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1g98 n GLY 397 N -0.69 0.23 0.44 1.08 0.00 0.62 -4.93 105.19 101.95 1g98 n GLY 397 Ca 0.09 -1.82 0.07 0.00 0.00 0.00 0.00 46.02 44.36 1g98 n GLY 397 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1g98 n THR 398 N -0.71 1.76 -4.88 2.61 -2.24 -1.26 -5.00 114.28 104.56 1g98 n THR 398 Ca 0.00 -1.74 -0.32 0.00 -2.27 0.00 0.00 64.05 59.72 1g98 n THR 398 Cb 0.00 -0.02 -0.13 0.00 -2.10 0.00 0.00 70.33 68.08 1g98 n THR 398 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1g98 s LYS 399 N -2.28 2.28 -0.16 -0.78 3.01 -1.26 -5.10 119.74 115.44 1g98 s LYS 399 Ca 0.29 -0.84 -0.19 0.00 -1.01 0.00 0.00 55.97 54.23 1g98 s LYS 399 Cb 0.23 -2.25 -0.04 0.00 -1.01 0.00 0.00 37.83 34.77 1g98 s LYS 399 CO 0.07 0.58 0.53 1.41 0.51 0.00 0.00 175.35 178.44 1g98 s MET 400 N -0.96 4.27 -0.32 1.68 -2.45 -1.26 -4.94 119.30 115.32 1g98 s MET 400 Ca 0.12 0.48 -0.01 0.00 -1.25 0.00 0.00 55.69 55.04 1g98 s MET 400 Cb -0.10 -3.51 0.10 0.00 1.25 0.00 0.00 34.83 32.57 1g98 s MET 400 CO 0.02 -0.03 0.11 0.42 1.05 0.00 0.00 175.02 176.60 1g98 s ILE 401 N 1.22 0.85 0.34 10.11 1.01 -1.26 -4.71 121.20 128.76 1g98 s ILE 401 Ca 0.26 -1.46 -0.29 0.00 0.00 0.00 0.00 60.65 59.16 1g98 s ILE 401 Cb -0.15 -1.65 -0.11 0.00 0.01 0.00 0.00 42.46 40.56 1g98 s ILE 401 CO 0.10 -0.70 1.53 -2.65 0.00 0.00 0.00 174.94 173.22 1g98 n PRO 402 N 4.75 2.68 -4.63 2.79 -0.02 -1.26 -4.80 135.00 134.50 1g98 n PRO 402 Ca -0.01 0.94 -0.24 0.00 -2.02 0.00 0.00 63.50 62.18 1g98 n PRO 402 Cb 0.41 -2.69 -0.16 0.00 -0.02 0.00 0.00 33.50 31.04 1g98 n PRO 402 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1g98 s ASP 404 N 0.24 5.51 -0.23 0.00 1.11 -0.54 -0.58 116.67 122.18 1g98 s ASP 404 Ca -0.06 -0.45 -0.10 0.00 0.18 0.00 0.00 52.55 52.12 1g98 s ASP 404 Cb -0.12 -1.99 -0.05 0.00 1.07 0.00 0.00 42.92 41.83 1g98 s ASP 404 CO 0.02 -0.16 0.15 -0.36 1.18 0.00 0.00 175.17 176.00 1g98 s PHE 405 N 1.62 3.35 0.03 4.23 0.40 0.55 -0.61 117.98 127.55 1g98 s PHE 405 Ca 0.05 0.26 0.07 0.00 -0.60 0.00 0.00 56.93 56.71 1g98 s PHE 405 Cb -0.17 -2.23 -0.02 0.00 0.51 0.00 0.00 43.02 41.11 1g98 s PHE 405 CO 0.06 0.14 -0.22 -0.51 0.70 0.00 0.00 175.22 175.40 1g98 s LEU 406 N 0.82 2.14 -0.21 -0.37 1.02 -0.88 -0.13 118.68 121.06 1g98 s LEU 406 Ca 0.08 -0.50 -0.27 0.00 0.02 0.00 0.00 54.13 53.45 1g98 s LEU 406 Cb -0.13 -1.04 0.11 0.00 0.02 0.00 0.00 46.19 45.15 1g98 s LEU 406 CO 0.02 0.19 0.91 -0.51 0.02 0.00 0.00 176.35 176.98 1g98 s ILE 407 N -0.74 0.00 0.02 -0.59 2.07 -0.68 0.23 121.20 121.51 1g98 s ILE 407 Ca 0.08 0.00 -0.18 0.00 -1.41 0.00 0.00 60.65 59.15 1g98 s ILE 407 Cb -0.09 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.44 1g98 s ILE 407 CO 0.01 0.00 0.50 -2.16 -1.91 0.00 0.00 174.94 171.38 1g98 s PRO 408 N -0.32 4.12 0.12 3.50 0.04 -1.26 -1.99 135.00 139.20 1g98 s PRO 408 Ca -0.01 0.58 -0.16 0.00 0.04 0.00 0.00 61.00 61.45 1g98 s PRO 408 Cb -0.03 -3.26 -0.02 0.00 0.04 0.00 0.00 34.50 31.23 1g98 s PRO 408 CO -0.00 0.58 1.61 0.28 0.04 0.00 0.00 177.00 179.51 1g98 h VAL 409 N 3.79 1.23 -3.22 -0.36 2.07 -0.01 -3.42 116.25 116.34 1g98 h VAL 409 Ca -0.49 -0.81 -0.61 0.00 0.82 0.00 0.00 66.70 65.61 1g98 h VAL 409 Cb 1.21 1.03 -0.12 0.00 -1.52 0.00 0.00 31.29 31.89 1g98 h VAL 409 CO 0.65 0.28 -0.51 -1.10 0.02 0.00 0.00 177.57 176.91 1g98 s GLN 410 N -5.25 4.06 0.33 1.57 -0.21 0.03 -5.02 119.66 115.16 1g98 s GLN 410 Ca -0.13 -0.24 -0.06 0.00 0.02 0.00 0.00 55.36 54.95 1g98 s GLN 410 Cb 0.10 -3.34 -0.05 0.00 1.00 0.00 0.00 33.01 30.71 1g98 s GLN 410 CO 0.77 0.34 0.61 -0.08 -2.12 0.00 0.00 175.29 174.81 1g98 s THR 411 N 0.22 4.98 -0.66 -0.19 -1.32 -1.26 -4.44 115.64 112.95 1g98 s THR 411 Ca 0.08 0.13 0.25 0.00 -1.21 0.00 0.00 61.69 60.94 1g98 s THR 411 Cb -0.11 -3.75 0.30 0.00 -1.51 0.00 0.00 72.50 67.43 1g98 s THR 411 CO -0.01 -0.41 1.74 1.56 -2.21 0.00 0.00 174.62 175.29 1g98 h GLN 412 N 1.45 0.00 -2.43 7.08 1.08 -1.98 -3.38 115.11 116.92 1g98 h GLN 412 Ca -0.48 0.00 -0.59 0.00 -1.45 0.00 0.00 58.65 56.13 1g98 h GLN 412 Cb 1.19 0.00 -0.39 0.00 -0.05 0.00 0.00 27.48 28.23 1g98 h GLN 412 CO 0.65 0.00 -0.88 0.72 -0.95 0.00 0.00 178.83 178.37 1g98 n HIS 413 N -2.45 0.52 -0.72 2.96 8.25 -1.26 -5.01 115.22 117.50 1g98 n HIS 413 Ca 0.05 -3.66 -0.12 0.00 -0.26 0.00 0.00 57.72 53.73 1g98 n HIS 413 Cb 0.45 -0.13 -0.09 0.00 1.12 0.00 0.00 29.99 31.34 1g98 n HIS 413 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1g98 n PRO 414 N 2.18 1.62 -1.23 -0.41 -0.04 -1.26 -4.90 135.00 130.96 1g98 n PRO 414 Ca 0.26 -0.90 -0.32 0.00 -0.04 0.00 0.00 63.50 62.50 1g98 n PRO 414 Cb 0.45 -2.00 0.10 0.00 -0.04 0.00 0.00 33.50 32.01 1g98 n PRO 414 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1g98 s ILE 415 N 1.99 2.91 -1.46 0.52 -4.36 -1.26 -3.03 121.20 116.51 1g98 s ILE 415 Ca 0.46 0.33 -0.08 0.00 -0.26 0.00 0.00 60.65 61.10 1g98 s ILE 415 Cb 0.19 -2.72 0.04 0.00 1.25 0.00 0.00 42.46 41.22 1g98 s ILE 415 CO -0.01 -0.35 0.71 0.54 0.24 0.00 0.00 174.94 176.06 1g98 n ARG 416 N -3.42 -4.96 -2.79 0.37 5.12 -1.26 -1.40 116.66 108.32 1g98 n ARG 416 Ca 0.10 0.73 -0.21 0.00 -1.93 0.00 0.00 57.85 56.54 1g98 n ARG 416 Cb 0.52 -5.58 0.01 0.00 -1.16 0.00 0.00 32.46 26.26 1g98 n ARG 416 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1g98 n LYS 417 N -4.17 -3.53 -0.73 5.56 5.02 -1.23 -2.11 118.16 116.97 1g98 n LYS 417 Ca -0.05 0.91 0.00 0.00 -2.02 0.00 0.00 58.31 57.15 1g98 n LYS 417 Cb 0.58 -5.68 0.00 0.00 -0.02 0.00 0.00 35.03 29.91 1g98 n LYS 417 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1g98 n GLY 418 N -1.28 0.73 0.14 0.72 0.00 -0.49 -4.97 105.19 100.03 1g98 n GLY 418 Ca -0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 1g98 n GLY 418 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1g98 h LEU 419 N 0.00 0.27 -0.58 0.99 5.85 -1.42 -1.10 115.31 119.32 1g98 h LEU 419 Ca 0.00 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1g98 h LEU 419 Cb 0.00 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 1g98 h LEU 419 CO 0.00 0.20 0.37 0.45 -0.34 0.00 0.00 178.44 179.12 1g98 h HIS 420 N 0.34 0.69 -0.13 1.25 3.86 -1.84 -2.33 115.15 116.99 1g98 h HIS 420 Ca 0.11 0.02 -0.13 0.00 -1.16 0.00 0.00 60.37 59.21 1g98 h HIS 420 Cb -0.00 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.23 1g98 h HIS 420 CO -0.08 0.42 -0.49 1.25 0.86 0.00 0.00 177.93 179.89 1g98 h HIS 421 N 0.74 0.40 -0.39 2.45 -0.00 -1.84 -1.97 115.15 114.54 1g98 h HIS 421 Ca 0.22 -0.13 0.01 0.00 -0.00 0.00 0.00 60.37 60.48 1g98 h HIS 421 Cb -0.04 -0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 27.27 1g98 h HIS 421 CO -0.04 0.75 0.24 -0.22 -0.00 0.00 0.00 177.93 178.66 1g98 h LYS 422 N 0.26 0.47 -0.63 5.26 3.64 -0.87 0.61 116.57 125.31 1g98 h LYS 422 Ca 0.01 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 1g98 h LYS 422 Cb 0.95 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.64 1g98 h LYS 422 CO 0.08 0.31 0.06 0.82 -2.27 0.00 0.00 179.45 178.45 1g98 h ILE 423 N 0.48 1.26 -0.27 2.00 2.04 -1.29 -0.64 117.51 121.10 1g98 h ILE 423 Ca 0.15 -1.08 -0.00 0.00 1.00 0.00 0.00 64.86 64.92 1g98 h ILE 423 Cb -0.02 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1g98 h ILE 423 CO -0.06 0.40 0.15 0.25 0.00 0.00 0.00 178.15 178.90 1g98 h LEU 424 N 0.99 0.33 -0.61 1.44 5.85 -0.89 -1.06 115.31 121.35 1g98 h LEU 424 Ca 0.19 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1g98 h LEU 424 Cb 0.49 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1g98 h LEU 424 CO 0.02 0.31 0.31 -0.07 -0.34 0.00 0.00 178.44 178.67 1g98 h LEU 425 N 0.32 0.79 -0.90 2.25 3.38 -0.66 -1.00 115.31 119.50 1g98 h LEU 425 Ca 0.09 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1g98 h LEU 425 Cb 0.05 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1g98 h LEU 425 CO -0.02 0.69 0.59 0.00 0.09 0.00 0.00 178.44 179.80 1g98 h ALA 426 N 1.13 1.14 -0.42 1.53 0.00 -0.79 -1.27 119.26 120.58 1g98 h ALA 426 Ca 0.21 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1g98 h ALA 426 Cb 0.10 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1g98 h ALA 426 CO -0.03 0.53 -0.13 -0.91 0.00 0.00 0.00 179.25 178.71 1g98 h ASN 427 N 1.21 0.83 -0.38 0.00 2.35 -0.85 -0.50 115.58 118.24 1g98 h ASN 427 Ca 0.33 -0.38 0.06 0.00 -0.55 0.00 0.00 56.30 55.77 1g98 h ASN 427 Cb -0.13 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 37.95 1g98 h ASN 427 CO -0.07 1.02 0.05 0.15 -1.65 0.00 0.00 177.43 176.93 1g98 h PHE 428 N 0.64 0.08 -0.11 1.19 3.57 -0.76 -1.30 116.94 120.26 1g98 h PHE 428 Ca 0.10 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 1g98 h PHE 428 Cb 0.67 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.43 1g98 h PHE 428 CO 0.05 -0.01 -0.08 -0.07 -2.23 0.00 0.00 178.31 175.97 1g98 h LEU 429 N 0.17 0.26 -1.36 0.59 3.38 -1.13 -3.25 115.31 113.97 1g98 h LEU 429 Ca 0.18 -0.45 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 1g98 h LEU 429 Cb 0.23 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1g98 h LEU 429 CO -0.26 0.65 -0.32 0.00 0.09 0.00 0.00 178.44 178.60 1g98 h ALA 430 N 0.61 1.43 -0.12 1.53 0.00 -0.99 -2.47 119.26 119.26 1g98 h ALA 430 Ca 0.02 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1g98 h ALA 430 Cb 0.57 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1g98 h ALA 430 CO 0.02 0.40 -0.13 1.96 0.00 0.00 0.00 179.25 181.50 1g98 h GLN 431 N 0.00 0.29 -0.08 0.00 1.08 -1.30 -0.90 115.11 114.20 1g98 h GLN 431 Ca -0.00 -0.16 -0.10 0.00 -1.45 0.00 0.00 58.65 56.94 1g98 h GLN 431 Cb 0.58 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.01 1g98 h GLN 431 CO 0.04 0.71 -0.39 1.79 -0.95 0.00 0.00 178.83 180.03 1g98 h THR 432 N -0.11 1.30 -0.21 -0.54 1.35 -1.59 -0.45 112.91 112.66 1g98 h THR 432 Ca 0.02 -1.45 -0.02 0.00 -0.55 0.00 0.00 66.41 64.41 1g98 h THR 432 Cb 0.66 1.67 -0.01 0.00 -1.73 0.00 0.00 68.15 68.75 1g98 h THR 432 CO 0.03 0.43 0.05 -0.08 -0.25 0.00 0.00 175.52 175.69 1g98 h GLU 433 N 0.15 0.34 -0.43 4.72 4.81 -1.37 -2.14 114.58 120.66 1g98 h GLU 433 Ca 0.01 -0.08 -0.13 0.00 -0.13 0.00 0.00 59.36 59.03 1g98 h GLU 433 Cb 0.76 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 1g98 h GLU 433 CO 0.06 0.47 -0.25 0.00 -0.73 0.00 0.00 179.01 178.56 1g98 h ALA 434 N 0.86 0.73 -0.46 2.92 0.00 -0.93 0.13 119.26 122.50 1g98 h ALA 434 Ca 0.06 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1g98 h ALA 434 Cb 0.29 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1g98 h ALA 434 CO 0.00 0.66 0.30 -0.07 0.00 0.00 0.00 179.25 180.15 1g98 h LEU 435 N 0.78 0.53 0.07 0.00 3.38 -1.02 0.43 115.31 119.47 1g98 h LEU 435 Ca 0.10 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1g98 h LEU 435 Cb 0.81 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1g98 h LEU 435 CO 0.07 0.38 -0.03 -0.03 0.09 0.00 0.00 178.44 178.92 1g98 h MET 436 N 0.62 -0.09 -0.11 1.13 4.05 -0.99 -0.28 114.93 119.26 1g98 h MET 436 Ca 0.17 0.01 -0.17 0.00 -0.28 0.00 0.00 59.70 59.42 1g98 h MET 436 Cb -0.07 0.02 0.01 0.00 -0.80 0.00 0.00 31.60 30.76 1g98 h MET 436 CO -0.04 0.44 -0.60 0.87 0.23 0.00 0.00 176.91 177.82 1g98 h LYS 437 N -0.93 0.60 0.00 0.39 1.57 -0.63 -1.75 116.57 115.82 1g98 h LYS 437 Ca -0.01 -0.50 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1g98 h LYS 437 Cb 0.57 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1g98 h LYS 437 CO 0.02 1.12 0.00 0.41 -0.57 0.00 0.00 179.45 180.42 1g98 n GLY 438 N 0.73 -0.45 2.89 3.86 0.00 0.15 -4.63 105.19 107.74 1g98 n GLY 438 Ca -0.08 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 1g98 n GLY 438 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1g98 s LYS 439 N 0.00 0.35 1.20 1.61 2.20 0.41 -4.92 119.74 120.60 1g98 s LYS 439 Ca 0.00 0.35 -0.14 0.00 -0.36 0.00 0.00 55.97 55.82 1g98 s LYS 439 Cb 0.00 -0.49 0.30 0.00 -1.51 0.00 0.00 37.83 36.13 1g98 s LYS 439 CO 0.00 -0.78 1.02 -1.54 -0.36 0.00 0.00 175.35 173.69 1g98 s SER 440 N 2.52 0.70 0.25 1.43 1.04 -1.26 -0.94 113.70 117.44 1g98 s SER 440 Ca 0.11 1.42 -0.05 0.00 0.48 0.00 0.00 55.95 57.91 1g98 s SER 440 Cb -0.15 -2.19 0.27 0.00 0.10 0.00 0.00 66.02 64.06 1g98 s SER 440 CO -0.21 -4.36 1.83 0.74 0.98 0.00 0.00 173.24 172.23 1g98 h THR 441 N -2.73 1.25 0.09 2.02 2.02 -1.96 -1.60 112.91 112.00 1g98 h THR 441 Ca -0.61 -0.72 -0.00 0.00 0.77 0.00 0.00 66.41 65.84 1g98 h THR 441 Cb 1.34 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1g98 h THR 441 CO 0.50 0.30 -0.04 -0.33 0.37 0.00 0.00 175.52 176.31 1g98 h GLU 442 N 1.09 -0.12 -0.54 6.66 4.39 -1.99 0.87 114.58 124.94 1g98 h GLU 442 Ca 0.26 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.98 1g98 h GLU 442 Cb 0.15 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 1g98 h GLU 442 CO -0.03 -0.01 0.36 0.93 -1.16 0.00 0.00 179.01 179.10 1g98 h GLU 443 N -0.20 0.70 -0.52 2.33 5.08 -1.86 -0.54 114.58 119.57 1g98 h GLU 443 Ca -0.01 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 1g98 h GLU 443 Cb 0.16 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1g98 h GLU 443 CO 0.02 0.47 -0.08 0.00 -1.00 0.00 0.00 179.01 178.42 1g98 h ALA 444 N 1.20 0.88 -0.43 3.43 0.00 -1.20 -2.45 119.26 120.69 1g98 h ALA 444 Ca 0.20 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1g98 h ALA 444 Cb -0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1g98 h ALA 444 CO -0.05 0.65 0.23 -0.09 0.00 0.00 0.00 179.25 179.99 1g98 h ARG 445 N 0.85 0.60 -0.78 0.00 2.43 -0.37 -1.51 114.38 115.60 1g98 h ARG 445 Ca 0.14 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1g98 h ARG 445 Cb 0.61 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.01 1g98 h ARG 445 CO 0.04 0.49 0.52 -0.22 -1.51 0.00 0.00 179.97 179.29 1g98 h LYS 446 N 0.55 1.02 -0.38 0.20 3.64 -0.96 -0.44 116.57 120.21 1g98 h LYS 446 Ca 0.15 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1g98 h LYS 446 Cb 0.07 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 1g98 h LYS 446 CO -0.02 0.68 0.13 0.93 -2.27 0.00 0.00 179.45 178.89 1g98 h GLU 447 N 1.05 0.59 -0.71 1.90 5.08 -1.13 0.57 114.58 121.93 1g98 h GLU 447 Ca 0.29 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.48 1g98 h GLU 447 Cb -0.11 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.02 1g98 h GLU 447 CO -0.07 0.59 0.25 -0.07 -1.00 0.00 0.00 179.01 178.71 1g98 h LEU 448 N 0.47 1.01 -0.50 1.33 3.38 -0.95 -0.42 115.31 119.63 1g98 h LEU 448 Ca 0.12 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1g98 h LEU 448 Cb 0.24 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1g98 h LEU 448 CO -0.01 0.93 0.15 1.56 0.09 0.00 0.00 178.44 181.16 1g98 h GLN 449 N 1.03 0.78 0.00 1.13 4.20 -0.86 -2.19 115.11 119.19 1g98 h GLN 449 Ca 0.23 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 1g98 h GLN 449 Cb 0.26 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1g98 h GLN 449 CO -0.01 0.73 -0.18 0.00 -0.67 0.00 0.00 178.83 178.70 1g98 h ALA 450 N 1.01 1.50 -0.00 3.87 0.00 -0.49 -1.39 119.26 123.76 1g98 h ALA 450 Ca 0.16 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1g98 h ALA 450 Cb 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1g98 h ALA 450 CO -0.00 0.22 -0.00 0.00 0.00 0.00 0.00 179.25 179.47 1g98 n ALA 451 N -2.41 2.48 -1.03 0.00 0.00 -0.20 -4.91 120.51 114.44 1g98 n ALA 451 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1g98 n ALA 451 Cb 0.26 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1g98 n ALA 451 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g98 n GLY 452 N 1.29 0.64 3.75 0.00 0.00 -0.52 -5.04 105.19 105.30 1g98 n GLY 452 Ca 0.14 -0.76 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 1g98 n GLY 452 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g98 s LYS 453 N -2.16 4.60 0.81 1.61 -0.14 -0.88 -5.02 119.74 118.55 1g98 s LYS 453 Ca 0.00 1.84 -0.11 0.00 -1.36 0.00 0.00 55.97 56.34 1g98 s LYS 453 Cb 0.00 -3.20 0.08 0.00 -1.68 0.00 0.00 37.83 33.03 1g98 s LYS 453 CO 0.00 0.13 1.09 -1.54 -0.76 0.00 0.00 175.35 174.27 1g98 s SER 454 N -0.64 4.23 0.26 2.83 1.04 -1.26 -4.69 113.70 115.47 1g98 s SER 454 Ca 0.46 1.54 -0.01 0.00 0.48 0.00 0.00 55.95 58.42 1g98 s SER 454 Cb -0.32 -2.27 0.50 0.00 0.10 0.00 0.00 66.02 64.03 1g98 s SER 454 CO 0.41 -2.17 1.80 -0.65 0.98 0.00 0.00 173.24 173.61 1g98 h PRO 455 N -1.22 0.76 0.71 4.02 0.11 -1.98 0.13 132.00 134.52 1g98 h PRO 455 Ca -0.47 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 1g98 h PRO 455 Cb 1.26 -0.17 0.01 0.00 0.11 0.00 0.00 31.00 32.20 1g98 h PRO 455 CO 0.55 0.50 -0.34 0.93 -0.21 0.00 0.00 178.00 179.44 1g98 h GLU 456 N 0.78 -0.91 -0.75 1.05 3.07 -1.99 0.39 114.58 116.23 1g98 h GLU 456 Ca 0.45 0.06 0.04 0.00 -0.50 0.00 0.00 59.36 59.41 1g98 h GLU 456 Cb 0.52 0.21 -0.05 0.00 -0.84 0.00 0.00 28.75 28.59 1g98 h GLU 456 CO -0.30 -0.59 0.46 -0.44 -1.40 0.00 0.00 179.01 176.74 1g98 h ASP 457 N -1.02 0.75 -0.44 1.42 5.19 -1.83 -1.74 116.42 118.75 1g98 h ASP 457 Ca -0.10 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.28 1g98 h ASP 457 Cb 0.75 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.08 1g98 h ASP 457 CO 0.16 0.51 0.12 0.25 -3.12 0.00 0.00 179.24 177.16 1g98 h LEU 458 N 0.89 0.66 -0.75 1.55 6.46 -0.71 -2.08 115.31 121.34 1g98 h LEU 458 Ca 0.31 -0.23 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 1g98 h LEU 458 Cb 0.06 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 39.77 1g98 h LEU 458 CO -0.13 0.72 0.48 -0.03 -0.62 0.00 0.00 178.44 178.86 1g98 h MET 459 N 0.58 1.00 0.00 1.25 4.05 -0.48 0.15 114.93 121.48 1g98 h MET 459 Ca 0.14 -0.07 -0.05 0.00 -0.28 0.00 0.00 59.70 59.43 1g98 h MET 459 Cb 0.31 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 30.88 1g98 h MET 459 CO 0.00 0.68 -0.26 -0.22 0.23 0.00 0.00 176.91 177.35 1g98 h LYS 460 N 1.02 0.00 0.01 0.39 3.64 -1.23 -3.35 116.57 117.05 1g98 h LYS 460 Ca 0.27 0.00 -0.38 0.00 -1.27 0.00 0.00 60.65 59.28 1g98 h LYS 460 Cb -0.08 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.67 1g98 h LYS 460 CO -0.06 0.26 -2.35 -0.11 -2.27 0.00 0.00 179.45 174.92 1g98 n LEU 461 N -3.23 1.92 -0.24 5.20 7.94 -0.79 -4.73 117.00 123.07 1g98 n LEU 461 Ca 0.02 -0.02 -0.06 0.00 -1.11 0.00 0.00 56.01 54.83 1g98 n LEU 461 Cb 0.57 -0.44 -0.06 0.00 0.53 0.00 0.00 43.42 44.02 1g98 n LEU 461 CO 0.36 0.76 0.37 -0.11 -1.11 0.00 0.00 177.39 177.66 1g98 n LEU 462 N -3.12 -0.60 -0.32 -1.96 7.94 0.50 -1.62 117.00 117.83 1g98 n LEU 462 Ca -0.39 1.20 0.09 0.00 -1.11 0.00 0.00 56.01 55.80 1g98 n LEU 462 Cb 1.05 -0.23 0.25 0.00 0.53 0.00 0.00 43.42 45.03 1g98 n LEU 462 CO 0.34 -0.92 1.14 -0.65 -1.11 0.00 0.00 177.39 176.20 1g98 h PRO 463 N 0.00 0.68 0.00 1.96 0.11 -1.84 -1.54 132.00 131.37 1g98 h PRO 463 Ca 0.09 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.14 1g98 h PRO 463 Cb 0.23 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.18 1g98 h PRO 463 CO -0.53 0.45 -0.08 0.45 -0.21 0.00 0.00 178.00 178.08 1g98 h HIS 464 N 0.70 0.00 -0.66 0.65 3.86 -1.60 -2.88 115.15 115.22 1g98 h HIS 464 Ca 0.50 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.71 1g98 h HIS 464 Cb 0.71 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.18 1g98 h HIS 464 CO -0.06 0.08 0.00 1.63 0.86 0.00 0.00 177.93 180.44 1g98 n LYS 465 N -3.35 3.34 -3.54 2.45 5.02 -0.58 -4.94 118.16 116.54 1g98 n LYS 465 Ca -0.01 -2.78 -0.38 0.00 -2.02 0.00 0.00 58.31 53.13 1g98 n LYS 465 Cb 0.25 -1.75 -0.06 0.00 -0.02 0.00 0.00 35.03 33.45 1g98 n LYS 465 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1g98 s VAL 466 N -1.53 5.10 -0.17 -0.18 1.01 -1.09 -4.86 120.40 118.68 1g98 s VAL 466 Ca 0.49 0.75 0.01 0.00 0.00 0.00 0.00 61.98 63.24 1g98 s VAL 466 Cb 0.29 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 33.02 1g98 s VAL 466 CO 0.27 0.57 -0.20 -0.36 0.00 0.00 0.00 175.10 175.38 1g98 s PHE 467 N -0.95 2.76 -0.14 5.22 0.40 -0.12 -4.93 117.98 120.22 1g98 s PHE 467 Ca 0.22 -1.59 0.30 0.00 -0.60 0.00 0.00 56.93 55.27 1g98 s PHE 467 Cb -0.16 -1.90 1.08 0.00 0.51 0.00 0.00 43.02 42.55 1g98 s PHE 467 CO 0.12 -0.77 1.86 0.93 0.70 0.00 0.00 175.22 178.06 1g98 h GLU 468 N 7.83 0.00 0.00 0.44 5.08 -1.82 0.12 114.58 126.23 1g98 h GLU 468 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1g98 h GLU 468 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1g98 h GLU 468 CO 0.62 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 179.04 1g98 n GLY 469 N 0.31 1.50 2.42 -3.84 0.00 -1.26 -4.77 105.19 99.54 1g98 n GLY 469 Ca 0.02 -0.53 -0.19 0.00 0.00 0.00 0.00 46.02 45.31 1g98 n GLY 469 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1g98 n ASN 470 N -2.10 -5.45 -4.53 1.61 5.15 -0.66 -4.93 115.26 104.36 1g98 n ASN 470 Ca 0.00 0.12 -0.43 0.00 -0.60 0.00 0.00 54.58 53.67 1g98 n ASN 470 Cb 0.00 -4.53 -0.07 0.00 -0.53 0.00 0.00 39.78 34.65 1g98 n ASN 470 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1g98 s ARG 471 N -4.58 3.35 0.32 1.20 3.00 -0.18 -4.90 118.95 117.16 1g98 s ARG 471 Ca 0.00 -0.30 -0.28 0.00 0.00 0.00 0.00 55.73 55.15 1g98 s ARG 471 Cb 0.00 -3.93 -0.09 0.00 0.00 0.00 0.00 34.95 30.93 1g98 s ARG 471 CO 0.00 -0.96 1.15 -1.25 0.00 0.00 0.00 175.30 174.24 1g98 s PRO 472 N 2.80 4.45 0.08 3.54 0.05 -1.26 -3.93 135.00 140.74 1g98 s PRO 472 Ca 0.23 1.88 -0.07 0.00 0.05 0.00 0.00 61.00 63.09 1g98 s PRO 472 Cb -0.14 -3.04 -0.01 0.00 0.05 0.00 0.00 34.50 31.36 1g98 s PRO 472 CO 0.18 0.02 0.14 0.95 0.05 0.00 0.00 177.00 178.34 1g98 s THR 473 N -1.23 0.16 -0.04 1.26 -4.23 -0.26 -3.01 115.64 108.29 1g98 s THR 473 Ca 0.48 -1.31 0.05 0.00 -1.18 0.00 0.00 61.69 59.73 1g98 s THR 473 Cb -0.33 -1.36 -0.02 0.00 1.34 0.00 0.00 72.50 72.13 1g98 s THR 473 CO 0.42 -0.72 -0.18 0.20 -0.54 0.00 0.00 174.62 173.79 1g98 s ASN 474 N -2.84 3.68 -0.19 3.99 0.01 0.25 -4.09 114.94 115.75 1g98 s ASN 474 Ca 0.05 -0.29 -0.00 0.00 -0.71 0.00 0.00 52.86 51.90 1g98 s ASN 474 Cb 0.05 -0.68 0.01 0.00 0.41 0.00 0.00 41.25 41.05 1g98 s ASN 474 CO -0.11 0.34 -0.15 -0.44 -1.51 0.00 0.00 177.10 175.23 1g98 s SER 475 N -0.68 3.51 -0.29 -1.22 0.01 -0.60 -0.33 113.70 114.10 1g98 s SER 475 Ca 0.11 -0.56 -0.01 0.00 1.31 0.00 0.00 55.95 56.79 1g98 s SER 475 Cb -0.10 -1.56 0.05 0.00 0.21 0.00 0.00 66.02 64.61 1g98 s SER 475 CO 0.00 0.00 -0.02 -0.63 0.41 0.00 0.00 173.24 173.00 1g98 s ILE 476 N 1.30 2.89 -0.07 1.44 1.01 0.82 -0.90 121.20 127.68 1g98 s ILE 476 Ca 0.04 -1.34 0.05 0.00 0.00 0.00 0.00 60.65 59.40 1g98 s ILE 476 Cb -0.14 -2.63 -0.01 0.00 0.01 0.00 0.00 42.46 39.69 1g98 s ILE 476 CO -0.09 -0.04 -0.23 -0.69 0.00 0.00 0.00 174.94 173.88 1g98 s VAL 477 N 1.25 2.18 0.06 2.92 1.01 -0.53 -1.69 120.40 125.60 1g98 s VAL 477 Ca -0.05 -1.01 0.05 0.00 0.00 0.00 0.00 61.98 60.97 1g98 s VAL 477 Cb -0.19 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 1g98 s VAL 477 CO -0.02 0.57 -0.13 0.72 0.00 0.00 0.00 175.10 176.23 1g98 s PHE 478 N -0.02 1.15 0.23 5.22 -0.12 -0.84 0.12 117.98 123.73 1g98 s PHE 478 Ca -0.07 -0.45 -0.08 0.00 -0.05 0.00 0.00 56.93 56.27 1g98 s PHE 478 Cb -0.15 -0.66 0.39 0.00 -0.63 0.00 0.00 43.02 41.97 1g98 s PHE 478 CO 0.05 0.04 1.65 1.15 -0.05 0.00 0.00 175.22 178.06 1g98 h THR 479 N 4.34 0.39 -1.78 -4.49 2.02 -1.64 0.42 112.91 112.18 1g98 h THR 479 Ca -0.40 -0.04 0.01 0.00 0.77 0.00 0.00 66.41 66.75 1g98 h THR 479 Cb 1.19 0.27 -0.21 0.00 -1.74 0.00 0.00 68.15 67.66 1g98 h THR 479 CO 0.41 0.02 0.36 -0.75 0.37 0.00 0.00 175.52 175.93 1g98 s LYS 480 N -6.13 0.80 -1.12 6.66 2.20 -1.26 -0.79 119.74 120.10 1g98 s LYS 480 Ca -0.13 0.27 -0.17 0.00 -0.36 0.00 0.00 55.97 55.58 1g98 s LYS 480 Cb 0.21 0.38 0.13 0.00 -1.51 0.00 0.00 37.83 37.04 1g98 s LYS 480 CO 0.75 -0.23 1.40 -1.17 -0.36 0.00 0.00 175.35 175.73 1g98 s LEU 481 N -0.97 4.68 0.46 5.43 2.96 -1.26 -4.73 118.68 125.25 1g98 s LEU 481 Ca -0.05 -2.46 0.08 0.00 -0.22 0.00 0.00 54.13 51.48 1g98 s LEU 481 Cb -0.01 -2.45 0.03 0.00 0.50 0.00 0.00 46.19 44.26 1g98 s LEU 481 CO 0.05 -0.99 0.61 0.42 -1.32 0.00 0.00 176.35 175.11 1g98 s THR 482 N 2.71 2.71 0.24 3.68 -4.23 -1.26 -4.90 115.64 114.60 1g98 s THR 482 Ca 0.42 -1.04 -0.06 0.00 -1.18 0.00 0.00 61.69 59.83 1g98 s THR 482 Cb -0.02 -2.75 0.22 0.00 1.34 0.00 0.00 72.50 71.29 1g98 s THR 482 CO -0.02 0.00 1.88 -0.65 -0.54 0.00 0.00 174.62 175.29 1g98 h PRO 483 N 0.55 1.08 0.04 3.99 0.11 -1.92 0.26 132.00 136.11 1g98 h PRO 483 Ca -0.37 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 1g98 h PRO 483 Cb 1.28 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1g98 h PRO 483 CO 0.45 0.71 -0.02 0.35 -0.21 0.00 0.00 178.00 179.29 1g98 h PHE 484 N 1.11 -0.05 -0.72 0.65 3.57 -1.87 -1.61 116.94 118.02 1g98 h PHE 484 Ca 0.36 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.80 1g98 h PHE 484 Cb 0.02 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 1g98 h PHE 484 CO -0.02 0.14 0.24 0.82 -2.23 0.00 0.00 178.31 177.26 1g98 h ILE 485 N -0.23 1.26 -0.48 1.41 1.08 -1.79 -1.59 117.51 117.16 1g98 h ILE 485 Ca -0.01 -0.87 0.01 0.00 -0.39 0.00 0.00 64.86 63.61 1g98 h ILE 485 Cb 0.21 0.44 -0.03 0.00 -3.07 0.00 0.00 36.82 34.38 1g98 h ILE 485 CO 0.01 0.34 0.31 0.25 -0.69 0.00 0.00 178.15 178.37 1g98 h LEU 486 N 1.07 0.53 -0.65 1.44 5.85 -0.86 -0.59 115.31 122.09 1g98 h LEU 486 Ca 0.24 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.99 1g98 h LEU 486 Cb 0.28 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 1g98 h LEU 486 CO -0.01 0.38 0.38 1.23 -0.34 0.00 0.00 178.44 180.08 1g98 h GLY 487 N 0.63 0.95 1.01 3.75 0.00 -0.77 -1.16 103.07 107.48 1g98 h GLY 487 Ca 0.18 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 47.18 1g98 h GLY 487 CO -0.06 0.20 0.16 0.00 0.00 0.00 0.00 176.54 176.85 1g98 h ALA 488 N 1.31 0.77 -0.55 3.60 0.00 -0.82 -1.74 119.26 121.83 1g98 h ALA 488 Ca 0.28 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1g98 h ALA 488 Cb 0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1g98 h ALA 488 CO -0.14 0.46 0.17 -0.07 0.00 0.00 0.00 179.25 179.67 1g98 h LEU 489 N 0.84 0.80 -0.07 0.00 3.38 -0.67 0.09 115.31 119.69 1g98 h LEU 489 Ca 0.19 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1g98 h LEU 489 Cb 0.32 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1g98 h LEU 489 CO -0.00 0.79 0.01 0.40 0.09 0.00 0.00 178.44 179.73 1g98 h ILE 490 N 0.76 1.22 -0.56 1.22 2.04 -1.12 -2.53 117.51 118.56 1g98 h ILE 490 Ca 0.18 -0.68 0.03 0.00 1.00 0.00 0.00 64.86 65.38 1g98 h ILE 490 Cb 0.28 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 1g98 h ILE 490 CO -0.01 0.19 0.37 0.00 0.00 0.00 0.00 178.15 178.70 1g98 h ALA 491 N 0.76 1.69 -0.14 1.87 0.00 -1.23 0.06 119.26 122.27 1g98 h ALA 491 Ca 0.02 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1g98 h ALA 491 Cb 0.29 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1g98 h ALA 491 CO 0.00 0.26 0.02 1.98 0.00 0.00 0.00 179.25 181.51 1g98 h MET 492 N 0.67 0.07 -0.04 0.00 1.85 -0.68 -1.18 114.93 115.62 1g98 h MET 492 Ca 0.22 -0.00 -0.12 0.00 -0.61 0.00 0.00 59.70 59.18 1g98 h MET 492 Cb 0.05 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.05 1g98 h MET 492 CO -0.06 0.05 -0.54 1.88 -0.40 0.00 0.00 176.91 177.84 1g98 h TYR 493 N 0.07 0.14 -0.74 1.39 0.99 -0.96 -1.66 116.97 116.21 1g98 h TYR 493 Ca 0.06 -0.05 0.01 0.00 2.00 0.00 0.00 58.73 60.76 1g98 h TYR 493 Cb 0.06 -0.03 -0.04 0.00 1.00 0.00 0.00 36.73 37.72 1g98 h TYR 493 CO -0.13 0.63 0.48 0.93 -0.00 0.00 0.00 178.16 180.07 1g98 h GLU 494 N 0.09 0.94 0.00 4.88 5.08 -0.52 -1.41 114.58 123.64 1g98 h GLU 494 Ca -0.00 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 1g98 h GLU 494 Cb 0.99 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1g98 h GLU 494 CO 0.08 0.62 -0.47 0.45 -1.00 0.00 0.00 179.01 178.69 1g98 h HIS 495 N 0.97 0.00 -0.45 4.33 3.86 -0.96 -1.66 115.15 121.24 1g98 h HIS 495 Ca 0.28 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.45 1g98 h HIS 495 Cb -0.08 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.37 1g98 h HIS 495 CO -0.03 0.47 0.14 -0.22 0.86 0.00 0.00 177.93 179.16 1g98 h LYS 496 N 0.00 0.69 -0.85 2.45 3.64 -0.71 -0.49 116.57 121.30 1g98 h LYS 496 Ca -0.00 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.21 1g98 h LYS 496 Cb 1.09 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.77 1g98 h LYS 496 CO 0.06 0.66 0.47 0.82 -2.27 0.00 0.00 179.45 179.19 1g98 h ILE 497 N 0.58 1.25 0.16 2.00 2.04 -1.07 -2.10 117.51 120.37 1g98 h ILE 497 Ca 0.14 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 1g98 h ILE 497 Cb 0.26 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 1g98 h ILE 497 CO -0.01 0.28 -0.08 0.15 0.00 0.00 0.00 178.15 178.50 1g98 h PHE 498 N 1.19 -0.19 -0.46 1.37 3.57 -0.91 -1.99 116.94 119.51 1g98 h PHE 498 Ca 0.30 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.86 1g98 h PHE 498 Cb 0.03 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.78 1g98 h PHE 498 CO 0.01 -0.03 0.15 0.28 -2.23 0.00 0.00 178.31 176.49 1g98 h VAL 499 N -0.32 0.83 -0.87 1.41 2.07 -0.89 -1.53 116.25 116.95 1g98 h VAL 499 Ca -0.02 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1g98 h VAL 499 Cb 0.25 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 1g98 h VAL 499 CO 0.04 0.06 0.45 1.56 0.02 0.00 0.00 177.57 179.69 1g98 h GLN 500 N 0.31 1.23 -0.95 1.57 4.20 -1.33 -1.46 115.11 118.69 1g98 h GLN 500 Ca 0.22 -0.16 0.03 0.00 0.06 0.00 0.00 58.65 58.80 1g98 h GLN 500 Cb 0.23 -0.23 -0.05 0.00 0.30 0.00 0.00 27.48 27.73 1g98 h GLN 500 CO -0.24 0.92 0.62 0.78 -0.67 0.00 0.00 178.83 180.25 1g98 h GLY 501 N 1.23 1.36 0.92 3.46 0.00 -0.56 -0.69 103.07 108.78 1g98 h GLY 501 Ca 0.30 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 47.07 1g98 h GLY 501 CO -0.04 0.42 -0.14 -2.08 0.00 0.00 0.00 176.54 174.70 1g98 h VAL 502 N 1.21 1.29 -0.77 4.60 2.07 -0.64 -0.26 116.25 123.75 1g98 h VAL 502 Ca 0.37 -1.24 0.05 0.00 0.82 0.00 0.00 66.70 66.70 1g98 h VAL 502 Cb -0.03 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 1g98 h VAL 502 CO -0.11 0.40 0.48 0.58 0.02 0.00 0.00 177.57 178.94 1g98 h VAL 503 N 0.39 1.06 0.00 2.57 2.07 -0.74 -1.40 116.25 120.20 1g98 h VAL 503 Ca 0.07 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1g98 h VAL 503 Cb 0.66 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1g98 h VAL 503 CO 0.04 0.16 -0.01 0.79 0.02 0.00 0.00 177.57 178.57 1g98 n TRP 504 N -4.65 0.02 -3.13 1.57 8.01 -0.32 -4.51 117.44 114.43 1g98 n TRP 504 Ca 0.10 0.01 -0.20 0.00 -1.31 0.00 0.00 57.50 56.09 1g98 n TRP 504 Cb 0.13 -0.50 0.05 0.00 -2.01 0.00 0.00 31.31 28.98 1g98 n TRP 504 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1g98 n ASP 505 N -1.51 -5.74 -4.80 -0.99 2.03 -0.19 -4.75 116.55 100.59 1g98 n ASP 505 Ca 0.07 -0.34 -0.22 0.00 0.52 0.00 0.00 54.79 54.82 1g98 n ASP 505 Cb 0.34 -4.49 -0.05 0.00 -0.72 0.00 0.00 41.12 36.20 1g98 n ASP 505 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1g98 s ILE 506 N -3.17 2.72 -0.59 5.18 -4.36 -0.72 -0.27 121.20 119.99 1g98 s ILE 506 Ca 0.36 -1.53 -0.20 0.00 -0.26 0.00 0.00 60.65 59.02 1g98 s ILE 506 Cb -0.16 -3.01 0.09 0.00 1.25 0.00 0.00 42.46 40.62 1g98 s ILE 506 CO 0.45 -0.06 0.76 0.21 0.24 0.00 0.00 174.94 176.54 1g98 s ASN 507 N -3.98 6.19 0.00 4.36 2.47 -1.26 -4.62 114.94 118.10 1g98 s ASN 507 Ca 0.43 -1.20 0.13 0.00 0.42 0.00 0.00 52.86 52.64 1g98 s ASN 507 Cb -0.01 -2.33 0.80 0.00 -1.45 0.00 0.00 41.25 38.26 1g98 s ASN 507 CO 0.25 -1.16 1.32 -1.20 -3.72 0.00 0.00 177.10 172.58 1g98 n SER 508 N 6.68 0.00 0.00 -4.21 7.64 -1.26 -3.78 113.62 118.69 1g98 n SER 508 Ca -0.07 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.80 1g98 n SER 508 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 1g98 n SER 508 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1g98 n PHE 509 N -0.80 0.00 -3.46 1.43 3.01 -1.26 -4.49 117.46 111.90 1g98 n PHE 509 Ca 0.10 -0.14 -0.23 0.00 1.01 0.00 0.00 57.45 58.19 1g98 n PHE 509 Cb 0.05 -0.01 0.02 0.00 -0.01 0.00 0.00 39.48 39.52 1g98 n PHE 509 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 1g98 s ASP 510 N -0.29 4.90 -0.46 4.37 1.47 -1.25 -4.99 116.67 120.42 1g98 s ASP 510 Ca 0.00 -1.01 0.05 0.00 1.18 0.00 0.00 52.55 52.77 1g98 s ASP 510 Cb 0.00 0.27 0.28 0.00 -0.34 0.00 0.00 42.92 43.12 1g98 s ASP 510 CO 0.00 -1.17 1.03 0.00 0.68 0.00 0.00 175.17 175.70 1g98 n GLN 511 N -1.97 0.79 0.25 2.11 0.00 -1.26 -4.80 117.38 112.50 1g98 n GLN 511 Ca 0.07 -1.67 0.14 0.00 0.00 0.00 0.00 57.00 55.54 1g98 n GLN 511 Cb 0.63 -1.15 0.81 0.00 0.00 0.00 0.00 30.24 30.53 1g98 n GLN 511 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.06 175.57 1g98 h TRP 512 N 3.48 0.00 -0.18 2.61 4.06 -1.98 -0.03 115.95 123.91 1g98 h TRP 512 Ca -0.15 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.65 1g98 h TRP 512 Cb 1.08 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.23 1g98 h TRP 512 CO 0.11 0.00 -0.53 0.78 -3.56 0.00 0.00 178.44 175.24 1g98 h GLY 513 N 0.00 0.57 1.11 1.49 0.00 -1.96 0.40 103.07 104.68 1g98 h GLY 513 Ca 0.03 -0.65 -0.20 0.00 0.00 0.00 0.00 47.33 46.51 1g98 h GLY 513 CO -0.00 0.58 -0.69 -2.08 0.00 0.00 0.00 176.54 174.35 1g98 h VAL 514 N 0.40 1.29 -0.76 4.60 2.07 -1.55 -1.70 116.25 120.61 1g98 h VAL 514 Ca 0.01 -1.90 -0.05 0.00 0.82 0.00 0.00 66.70 65.57 1g98 h VAL 514 Cb 1.06 1.97 -0.03 0.00 -1.52 0.00 0.00 31.29 32.77 1g98 h VAL 514 CO 0.10 0.60 0.27 -0.33 0.02 0.00 0.00 177.57 178.22 1g98 h GLU 515 N 0.48 1.16 -0.41 1.57 4.39 -0.95 -2.66 114.58 118.17 1g98 h GLU 515 Ca -0.04 -0.23 -0.02 0.00 0.34 0.00 0.00 59.36 59.41 1g98 h GLU 515 Cb 1.32 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.78 1g98 h GLU 515 CO 0.14 0.97 0.19 1.25 -1.16 0.00 0.00 179.01 180.40 1g98 h LEU 516 N 1.12 0.54 -1.61 1.33 5.85 -0.86 -2.90 115.31 118.77 1g98 h LEU 516 Ca 0.25 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.90 1g98 h LEU 516 Cb 0.27 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1g98 h LEU 516 CO -0.01 0.52 0.37 1.23 -0.34 0.00 0.00 178.44 180.21 1g98 h GLY 517 N 0.52 0.60 0.72 3.75 0.00 -0.99 -1.67 103.07 106.00 1g98 h GLY 517 Ca 0.14 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1g98 h GLY 517 CO -0.02 0.14 0.00 0.28 0.00 0.00 0.00 176.54 176.94 1g98 n LYS 518 N -4.47 0.74 0.00 4.80 5.02 -1.03 -3.10 118.16 120.11 1g98 n LYS 518 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1g98 n LYS 518 Cb 0.27 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 1g98 n LYS 518 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1g98 n GLN 519 N -0.86 1.51 -0.19 1.97 1.13 -0.67 -4.85 117.38 115.41 1g98 n GLN 519 Ca 0.13 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.17 1g98 n GLN 519 Cb 0.06 -0.86 0.09 0.00 0.11 0.00 0.00 30.24 29.63 1g98 n GLN 519 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1g98 h LEU 520 N 0.00 0.26 -1.49 1.08 3.38 -1.37 -3.11 115.31 114.06 1g98 h LEU 520 Ca 0.00 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1g98 h LEU 520 Cb 0.00 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1g98 h LEU 520 CO 0.00 0.16 -0.26 0.00 0.09 0.00 0.00 178.44 178.44 1g98 h ALA 521 N 1.37 1.35 -1.00 1.53 0.00 -1.89 -3.30 119.26 117.32 1g98 h ALA 521 Ca 0.28 -0.23 0.23 0.00 0.00 0.00 0.00 54.91 55.18 1g98 h ALA 521 Cb 0.30 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 17.93 1g98 h ALA 521 CO -0.26 0.32 0.59 0.87 0.00 0.00 0.00 179.25 180.77 1g98 h LYS 522 N 0.00 0.61 -0.35 0.00 1.57 -1.90 -1.24 116.57 115.27 1g98 h LYS 522 Ca -0.00 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.63 1g98 h LYS 522 Cb 0.53 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1g98 h LYS 522 CO 0.03 0.40 -0.24 -0.22 -0.57 0.00 0.00 179.45 178.86 1g98 h LYS 523 N 0.63 0.69 0.03 3.15 3.64 -1.79 -3.28 116.57 119.64 1g98 h LYS 523 Ca 0.62 -0.28 -0.26 0.00 -1.27 0.00 0.00 60.65 59.46 1g98 h LYS 523 Cb 1.12 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.88 1g98 h LYS 523 CO -0.45 0.87 -1.36 0.82 -2.27 0.00 0.00 179.45 177.06 1g98 h ILE 524 N 0.61 1.29 -0.63 2.00 2.04 -1.52 -3.39 117.51 117.91 1g98 h ILE 524 Ca 0.08 -3.04 0.10 0.00 1.00 0.00 0.00 64.86 63.01 1g98 h ILE 524 Cb 0.73 2.69 -0.11 0.00 -0.74 0.00 0.00 36.82 39.38 1g98 h ILE 524 CO 0.06 0.78 -0.40 -0.08 0.00 0.00 0.00 178.15 178.50 1g98 h GLU 525 N 0.02 -0.18 0.00 2.37 4.81 -1.32 -0.16 114.58 120.12 1g98 h GLU 525 Ca -0.16 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.05 1g98 h GLU 525 Cb 1.91 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 31.32 1g98 h GLU 525 CO 0.12 -0.12 -0.18 -1.00 -0.73 0.00 0.00 179.01 177.10 1g98 h PRO 526 N -0.18 0.00 0.00 0.92 0.13 -1.76 -2.70 132.00 128.41 1g98 h PRO 526 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 1g98 h PRO 526 Cb 0.56 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.69 1g98 h PRO 526 CO -0.72 0.18 0.00 0.93 -0.23 0.00 0.00 178.00 178.16 1g98 h GLU 527 N 0.00 0.00 0.00 0.86 5.08 -1.21 -2.87 114.58 116.44 1g98 h GLU 527 Ca -0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1g98 h GLU 527 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1g98 h GLU 527 CO 0.02 0.00 -0.47 -0.07 -1.00 0.00 0.00 179.01 177.49 1g98 h LEU 528 N 0.00 0.00 -9.82 1.33 3.38 -1.21 -3.45 115.31 105.53 1g98 h LEU 528 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 1g98 h LEU 528 Cb 0.45 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.26 1g98 h LEU 528 CO 0.00 0.47 0.67 -1.81 0.09 0.00 0.00 178.44 177.86 1g98 s ASP 529 N -6.44 6.76 0.00 -0.43 -0.00 -1.08 -4.83 116.67 110.64 1g98 s ASP 529 Ca 0.03 2.65 0.00 0.00 -0.00 0.00 0.00 52.55 55.23 1g98 s ASP 529 Cb 0.09 -2.64 0.00 0.00 -0.00 0.00 0.00 42.92 40.37 1g98 s ASP 529 CO 0.73 -0.58 0.00 0.61 -0.00 0.00 0.00 175.17 175.93 1g98 n GLY 530 N 1.34 0.62 0.23 0.21 0.00 -1.26 -4.80 105.19 101.52 1g98 n GLY 530 Ca 0.02 -1.89 0.08 0.00 0.00 0.00 0.00 46.02 44.23 1g98 n GLY 530 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1g98 n SER 531 N -0.55 1.30 -4.75 1.61 3.41 -1.26 -4.98 113.62 108.39 1g98 n SER 531 Ca 0.00 -1.15 -0.41 0.00 -0.26 0.00 0.00 58.87 57.06 1g98 n SER 531 Cb 0.00 0.68 -0.04 0.00 -0.26 0.00 0.00 64.21 64.59 1g98 n SER 531 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1g98 s SER 532 N -2.16 7.17 0.63 4.04 1.04 -1.26 -4.97 113.70 118.18 1g98 s SER 532 Ca 0.11 2.31 -0.18 0.00 0.48 0.00 0.00 55.95 58.67 1g98 s SER 532 Cb 0.13 -2.62 -0.01 0.00 0.10 0.00 0.00 66.02 63.61 1g98 s SER 532 CO 0.51 -0.25 1.23 -2.16 0.98 0.00 0.00 173.24 173.55 1g98 s PRO 533 N -1.18 2.70 -0.06 4.02 0.04 -1.26 -5.04 135.00 134.24 1g98 s PRO 533 Ca 0.47 1.87 -0.03 0.00 0.04 0.00 0.00 61.00 63.35 1g98 s PRO 533 Cb -0.33 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 1g98 s PRO 533 CO 0.41 -1.43 0.07 0.08 0.04 0.00 0.00 177.00 176.18 1g98 s VAL 534 N -1.63 4.81 -0.00 -0.36 1.01 -1.26 -4.99 120.40 117.97 1g98 s VAL 534 Ca 0.78 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.56 1g98 s VAL 534 Cb -0.32 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1g98 s VAL 534 CO 0.37 0.49 0.60 0.35 0.00 0.00 0.00 175.10 176.92 1g98 n THR 535 N 1.66 0.05 1.65 3.92 -2.24 -1.26 -4.77 114.28 113.29 1g98 n THR 535 Ca -0.16 -0.05 0.11 0.00 -2.27 0.00 0.00 64.05 61.68 1g98 n THR 535 Cb 0.54 0.90 0.54 0.00 -2.10 0.00 0.00 70.33 70.20 1g98 n THR 535 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1g98 n SER 536 N -0.03 0.81 -1.92 3.42 3.41 -1.26 -4.90 113.62 113.15 1g98 n SER 536 Ca 0.00 -1.47 -0.01 0.00 -0.26 0.00 0.00 58.87 57.12 1g98 n SER 536 Cb 0.52 -0.04 -0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1g98 n SER 536 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1g98 n HIS 537 N -0.29 0.04 -1.10 7.33 8.25 -1.26 -5.11 115.22 123.08 1g98 n HIS 537 Ca 0.17 -0.13 -0.30 0.00 -0.26 0.00 0.00 57.72 57.20 1g98 n HIS 537 Cb 0.21 -0.01 0.14 0.00 1.12 0.00 0.00 29.99 31.45 1g98 n HIS 537 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1g98 s ASP 538 N -1.13 3.35 0.54 0.41 1.47 -1.26 -4.73 116.67 115.31 1g98 s ASP 538 Ca 0.00 1.61 0.24 0.00 1.18 0.00 0.00 52.55 55.58 1g98 s ASP 538 Cb 0.00 -2.27 1.51 0.00 -0.34 0.00 0.00 42.92 41.81 1g98 s ASP 538 CO 0.00 -2.74 2.16 0.77 0.68 0.00 0.00 175.17 176.05 1g98 h SER 539 N -1.62 0.00 0.13 2.11 4.64 -1.98 -1.28 113.55 115.55 1g98 h SER 539 Ca -0.49 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.82 1g98 h SER 539 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1g98 h SER 539 CO 0.52 0.04 -0.06 -1.28 -0.87 0.00 0.00 176.83 175.19 1g98 h SER 540 N 0.00 -0.14 -0.81 4.97 0.87 -1.99 -0.43 113.55 116.02 1g98 h SER 540 Ca -0.00 -0.41 0.07 0.00 -1.23 0.00 0.00 61.79 60.22 1g98 h SER 540 Cb 0.09 0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 62.03 1g98 h SER 540 CO 0.01 0.42 0.48 0.74 -0.53 0.00 0.00 176.83 177.94 1g98 h THR 541 N -0.79 0.98 0.10 2.23 2.02 -1.88 -0.76 112.91 114.80 1g98 h THR 541 Ca -0.02 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 1g98 h THR 541 Cb 0.55 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1g98 h THR 541 CO 0.03 0.15 -0.05 0.78 0.37 0.00 0.00 175.52 176.81 1g98 h ASN 542 N 0.85 -0.11 -0.99 4.18 -0.26 -1.25 -2.18 115.58 115.81 1g98 h ASN 542 Ca 0.37 -0.04 0.02 0.00 -0.56 0.00 0.00 56.30 56.09 1g98 h ASN 542 Cb 0.25 0.03 -0.05 0.00 -1.06 0.00 0.00 38.32 37.48 1g98 h ASN 542 CO -0.20 -0.04 0.65 1.23 -1.06 0.00 0.00 177.43 178.01 1g98 h GLY 543 N -0.17 1.41 0.89 2.83 0.00 -0.50 -1.38 103.07 106.15 1g98 h GLY 543 Ca -0.01 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 46.76 1g98 h GLY 543 CO 0.02 0.48 0.02 1.41 0.00 0.00 0.00 176.54 178.47 1g98 h LEU 544 N 1.32 0.53 -0.54 3.11 3.38 -1.08 -1.38 115.31 120.64 1g98 h LEU 544 Ca 0.37 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1g98 h LEU 544 Cb -0.11 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1g98 h LEU 544 CO -0.09 0.69 0.35 0.40 0.09 0.00 0.00 178.44 179.88 1g98 h ILE 545 N 0.35 1.11 -0.01 1.22 2.04 -1.10 -0.66 117.51 120.47 1g98 h ILE 545 Ca 0.09 -0.24 -0.08 0.00 1.00 0.00 0.00 64.86 65.63 1g98 h ILE 545 Cb 0.41 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1g98 h ILE 545 CO 0.01 0.13 -0.38 0.78 0.00 0.00 0.00 178.15 178.69 1g98 h ASN 546 N 0.71 0.02 -0.29 1.72 2.35 -1.14 -0.20 115.58 118.75 1g98 h ASN 546 Ca 0.21 -0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.85 1g98 h ASN 546 Cb -0.05 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1g98 h ASN 546 CO -0.06 0.40 -0.23 0.15 -1.65 0.00 0.00 177.43 176.04 1g98 h PHE 547 N 0.01 0.78 -0.55 1.19 3.57 -0.67 -1.04 116.94 120.24 1g98 h PHE 547 Ca -0.00 -0.22 0.01 0.00 3.53 0.00 0.00 57.97 61.28 1g98 h PHE 547 Cb 0.69 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 1g98 h PHE 547 CO 0.00 0.94 0.36 0.82 -2.23 0.00 0.00 178.31 178.20 1g98 h ILE 548 N 0.41 1.13 -0.69 1.41 2.04 -0.67 0.91 117.51 122.04 1g98 h ILE 548 Ca 0.05 -0.25 -0.08 0.00 1.00 0.00 0.00 64.86 65.58 1g98 h ILE 548 Cb 0.78 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 1g98 h ILE 548 CO 0.06 0.13 0.13 0.11 0.00 0.00 0.00 178.15 178.58 1g98 h LYS 549 N 0.74 1.13 -0.39 2.37 1.57 -0.92 -0.79 116.57 120.28 1g98 h LYS 549 Ca 0.20 -0.30 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 1g98 h LYS 549 Cb -0.08 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 1g98 h LYS 549 CO -0.05 1.02 0.01 0.37 -0.57 0.00 0.00 179.45 180.23 1g98 h GLN 550 N 1.06 0.68 -0.00 3.15 4.15 -0.74 -3.08 115.11 120.32 1g98 h GLN 550 Ca 0.21 -0.21 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1g98 h GLN 550 Cb 0.43 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.06 1g98 h GLN 550 CO 0.01 0.77 -0.08 1.04 -1.93 0.00 0.00 178.83 178.64 1g98 n GLN 551 N -4.47 0.50 0.19 1.69 1.13 0.27 -3.49 117.38 113.20 1g98 n GLN 551 Ca -0.01 -0.11 0.04 0.00 -1.94 0.00 0.00 57.00 54.98 1g98 n GLN 551 Cb 0.28 -1.50 0.44 0.00 0.11 0.00 0.00 30.24 29.57 1g98 n GLN 551 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1g98 h ARG 552 N 0.27 0.05 0.00 -1.09 2.43 -1.05 -2.95 114.38 112.05 1g98 h ARG 552 Ca 0.00 -0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 58.96 1g98 h ARG 552 Cb 0.35 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 1g98 h ARG 552 CO 0.00 0.28 -1.40 0.93 -1.51 0.00 0.00 179.97 178.27 1g98 h GLU 553 N 0.05 0.00 -6.36 0.20 5.08 -1.72 -3.48 114.58 108.35 1g98 h GLU 553 Ca 0.01 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.72 1g98 h GLU 553 Cb 0.43 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.75 1g98 h GLU 553 CO 0.03 0.37 0.42 0.00 -1.00 0.00 0.00 179.01 178.83 1g98 n ALA 554 N -2.42 -0.38 0.55 3.43 0.00 -1.12 -5.20 120.51 115.37 1g98 n ALA 554 Ca -0.10 0.47 0.07 0.00 0.00 0.00 0.00 53.44 53.88 1g98 n ALA 554 Cb 0.88 -2.10 0.06 0.00 0.00 0.00 0.00 19.45 18.28 1g98 n ALA 554 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13