#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g41 n GLU 3 N 0.00 0.54 -1.93 4.33 -0.58 -1.26 -4.76 120.64 116.98 1g41 n GLU 3 Ca 0.00 -0.04 -0.41 0.00 -0.42 0.00 0.00 57.16 56.29 1g41 n GLU 3 Cb 0.00 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.36 1g41 n GLU 3 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1g41 s MET 4 N -2.49 4.21 0.54 3.49 -1.94 -1.26 -5.01 119.30 116.84 1g41 s MET 4 Ca 0.31 2.42 -0.07 0.00 -1.71 0.00 0.00 55.69 56.64 1g41 s MET 4 Cb 0.20 -3.03 -0.03 0.00 2.01 0.00 0.00 34.83 33.98 1g41 s MET 4 CO 0.45 -0.42 0.87 0.95 -0.01 0.00 0.00 175.02 176.86 1g41 s THR 5 N -0.79 4.66 0.19 2.05 -4.23 -1.26 -4.85 115.64 111.41 1g41 s THR 5 Ca 0.54 0.36 -0.17 0.00 -1.18 0.00 0.00 61.69 61.24 1g41 s THR 5 Cb -0.44 -3.80 0.17 0.00 1.34 0.00 0.00 72.50 69.76 1g41 s THR 5 CO 0.55 -0.87 1.62 -0.65 -0.54 0.00 0.00 174.62 174.72 1g41 h PRO 6 N 0.01 -0.08 -0.69 3.99 0.11 -1.95 0.14 132.00 133.52 1g41 h PRO 6 Ca -0.46 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1g41 h PRO 6 Cb 1.21 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1g41 h PRO 6 CO 0.62 -0.06 0.39 0.00 -0.21 0.00 0.00 178.00 178.74 1g41 h ARG 7 N -0.09 0.94 -0.40 1.05 3.08 -1.96 0.11 114.38 117.12 1g41 h ARG 7 Ca 0.25 -0.09 -0.11 0.00 0.07 0.00 0.00 59.98 60.10 1g41 h ARG 7 Cb 0.48 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1g41 h ARG 7 CO -0.61 0.68 -0.20 0.93 -1.07 0.00 0.00 179.97 179.71 1g41 h GLU 8 N 0.95 0.76 -0.45 0.04 5.08 -1.55 0.28 114.58 119.70 1g41 h GLU 8 Ca 0.25 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1g41 h GLU 8 Cb 0.00 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1g41 h GLU 8 CO -0.04 0.90 0.05 0.82 -1.00 0.00 0.00 179.01 179.74 1g41 h ILE 9 N 0.67 1.25 -0.50 3.13 2.04 -0.23 -1.63 117.51 122.24 1g41 h ILE 9 Ca 0.10 -0.94 -0.11 0.00 1.00 0.00 0.00 64.86 64.91 1g41 h ILE 9 Cb 0.70 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 1g41 h ILE 9 CO 0.05 0.33 -0.11 0.58 0.00 0.00 0.00 178.15 179.00 1g41 h VAL 10 N 0.62 1.26 -0.92 1.67 2.07 -0.83 -0.48 116.25 119.64 1g41 h VAL 10 Ca 0.13 -1.23 0.02 0.00 0.82 0.00 0.00 66.70 66.44 1g41 h VAL 10 Cb 0.41 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 1g41 h VAL 10 CO 0.01 0.43 0.61 -1.28 0.02 0.00 0.00 177.57 177.36 1g41 h SER 11 N 0.84 1.04 -0.38 0.57 0.87 -0.70 0.31 113.55 116.11 1g41 h SER 11 Ca 0.13 -0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.61 1g41 h SER 11 Cb 0.64 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 1g41 h SER 11 CO 0.04 0.75 -0.02 -0.08 -0.53 0.00 0.00 176.83 176.99 1g41 h GLU 12 N 1.23 0.68 -0.58 2.24 4.57 -0.91 -2.88 114.58 118.93 1g41 h GLU 12 Ca 0.35 -0.23 -0.03 0.00 -1.18 0.00 0.00 59.36 58.28 1g41 h GLU 12 Cb -0.10 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.40 1g41 h GLU 12 CO -0.09 0.79 0.26 -0.07 -1.18 0.00 0.00 179.01 178.73 1g41 h LEU 13 N 0.50 0.75 -2.13 1.64 3.38 -0.31 -2.15 115.31 116.99 1g41 h LEU 13 Ca 0.11 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1g41 h LEU 13 Cb 0.50 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1g41 h LEU 13 CO 0.02 0.66 0.16 0.44 0.09 0.00 0.00 178.44 179.81 1g41 h ASP 14 N 0.83 0.00 -0.00 -0.43 3.32 -0.18 -0.22 116.42 119.74 1g41 h ASP 14 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1g41 h ASP 14 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1g41 h ASP 14 CO -0.02 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.50 1g41 n GLN 15 N -4.19 1.03 0.00 3.56 6.02 -0.81 -3.85 117.38 119.14 1g41 n GLN 15 Ca 0.02 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1g41 n GLN 15 Cb 0.29 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.05 1g41 n GLN 15 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1g41 n HIS 16 N -0.95 0.00 -4.85 1.08 8.25 -0.50 -0.82 115.22 117.43 1g41 n HIS 16 Ca 0.24 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.37 1g41 n HIS 16 Cb 0.12 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.06 1g41 n HIS 16 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1g41 s ILE 17 N -1.69 2.14 -0.02 1.59 1.09 -0.21 -4.80 121.20 119.29 1g41 s ILE 17 Ca 0.00 -0.97 -0.21 0.00 -1.10 0.00 0.00 60.65 58.37 1g41 s ILE 17 Cb 0.00 -1.84 -0.05 0.00 -1.06 0.00 0.00 42.46 39.51 1g41 s ILE 17 CO 0.00 0.55 0.62 -0.63 -0.10 0.00 0.00 174.94 175.38 1g41 s ILE 18 N 0.64 4.94 0.00 2.92 -1.09 -1.26 -4.43 121.20 122.93 1g41 s ILE 18 Ca -0.11 1.30 0.00 0.00 -2.23 0.00 0.00 60.65 59.61 1g41 s ILE 18 Cb -0.16 -3.96 0.00 0.00 -1.58 0.00 0.00 42.46 36.76 1g41 s ILE 18 CO 0.02 0.37 0.00 0.61 -1.23 0.00 0.00 174.94 174.71 1g41 n GLY 19 N 2.64 0.22 3.79 6.18 0.00 -1.26 -4.97 105.19 111.79 1g41 n GLY 19 Ca -0.05 -0.89 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 1g41 n GLY 19 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1g41 n GLN 20 N 0.00 -2.32 -0.15 1.61 1.13 -1.26 -4.89 117.38 111.49 1g41 n GLN 20 Ca 0.00 0.45 -0.07 0.00 -1.94 0.00 0.00 57.00 55.44 1g41 n GLN 20 Cb 0.00 -4.34 0.08 0.00 0.11 0.00 0.00 30.24 26.09 1g41 n GLN 20 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1g41 h ALA 21 N 0.85 0.93 -0.16 -1.58 0.00 -1.93 -2.02 119.26 115.34 1g41 h ALA 21 Ca -0.65 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 53.95 1g41 h ALA 21 Cb 1.37 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1g41 h ALA 21 CO 0.54 0.63 0.09 -0.44 0.00 0.00 0.00 179.25 180.07 1g41 h ASP 22 N 0.84 0.21 -0.56 0.00 3.32 -1.90 -0.50 116.42 117.83 1g41 h ASP 22 Ca 0.15 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 1g41 h ASP 22 Cb 0.56 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 1g41 h ASP 22 CO 0.03 0.25 0.13 0.00 -1.72 0.00 0.00 179.24 177.93 1g41 h ALA 23 N 0.97 1.11 -0.82 3.45 0.00 -1.77 -0.06 119.26 122.14 1g41 h ALA 23 Ca 0.06 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1g41 h ALA 23 Cb 0.09 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1g41 h ALA 23 CO -0.01 0.59 0.40 0.87 0.00 0.00 0.00 179.25 181.10 1g41 h LYS 24 N 0.89 1.17 -0.27 0.00 1.57 -1.07 -1.88 116.57 116.99 1g41 h LYS 24 Ca 0.19 -0.17 -0.11 0.00 -1.87 0.00 0.00 60.65 58.70 1g41 h LYS 24 Cb 0.34 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1g41 h LYS 24 CO 0.00 0.89 -0.25 0.00 -0.57 0.00 0.00 179.45 179.53 1g41 h ARG 25 N 1.16 0.65 -0.48 3.15 3.08 -0.55 -1.91 114.38 119.47 1g41 h ARG 25 Ca 0.28 -0.33 0.05 0.00 0.07 0.00 0.00 59.98 60.04 1g41 h ARG 25 Cb 0.11 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 1g41 h ARG 25 CO -0.04 0.94 0.23 0.00 -1.07 0.00 0.00 179.97 180.03 1g41 h ALA 26 N 0.70 0.61 0.00 0.04 0.00 -0.76 -0.36 119.26 119.50 1g41 h ALA 26 Ca 0.05 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1g41 h ALA 26 Cb 0.81 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1g41 h ALA 26 CO 0.06 -0.13 -0.62 -0.39 0.00 0.00 0.00 179.25 178.17 1g41 h VAL 27 N 0.46 1.41 -0.19 0.00 -1.51 -1.36 -2.22 116.25 112.84 1g41 h VAL 27 Ca 0.22 -2.17 -0.02 0.00 -1.23 0.00 0.00 66.70 63.50 1g41 h VAL 27 Cb 0.14 2.18 -0.01 0.00 -2.13 0.00 0.00 31.29 31.48 1g41 h VAL 27 CO -0.16 0.61 0.06 0.00 -1.23 0.00 0.00 177.57 176.85 1g41 h ALA 28 N 1.38 0.25 0.03 5.19 0.00 -0.63 -1.32 119.26 124.15 1g41 h ALA 28 Ca -0.01 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1g41 h ALA 28 Cb 1.13 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1g41 h ALA 28 CO 0.08 -0.13 -0.13 0.82 0.00 0.00 0.00 179.25 179.89 1g41 h ILE 29 N 0.13 0.68 -0.89 0.00 2.04 -1.04 -0.21 117.51 118.21 1g41 h ILE 29 Ca 0.06 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.05 1g41 h ILE 29 Cb 0.23 0.68 -0.09 0.00 -0.74 0.00 0.00 36.82 36.90 1g41 h ILE 29 CO -0.00 0.00 0.51 0.00 0.00 0.00 0.00 178.15 178.66 1g41 h ALA 30 N 0.69 1.35 -0.01 1.87 0.00 -1.25 0.13 119.26 122.03 1g41 h ALA 30 Ca 0.04 0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 1g41 h ALA 30 Cb 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1g41 h ALA 30 CO -0.11 0.03 -0.80 1.25 0.00 0.00 0.00 179.25 179.62 1g41 h LEU 31 N 0.76 0.24 -0.56 0.00 5.85 -0.82 -3.18 115.31 117.61 1g41 h LEU 31 Ca 0.47 -0.18 -0.16 0.00 0.84 0.00 0.00 57.88 58.85 1g41 h LEU 31 Cb 0.57 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1g41 h LEU 31 CO -0.32 0.95 -0.54 -0.09 -0.34 0.00 0.00 178.44 178.10 1g41 h ARG 32 N 0.12 0.51 -0.93 1.25 9.65 0.28 -3.04 114.38 122.21 1g41 h ARG 32 Ca -0.03 -0.32 0.11 0.00 -1.10 0.00 0.00 59.98 58.64 1g41 h ARG 32 Cb 1.40 0.04 -0.07 0.00 -1.39 0.00 0.00 29.97 29.94 1g41 h ARG 32 CO 0.12 0.92 0.60 -0.91 2.80 0.00 0.00 179.97 183.50 1g41 h ASN 33 N 0.39 0.82 -0.84 -3.80 2.35 -0.78 -0.13 115.58 113.59 1g41 h ASN 33 Ca 0.01 0.03 0.05 0.00 -0.55 0.00 0.00 56.30 55.84 1g41 h ASN 33 Cb 1.07 -0.13 -0.06 0.00 0.05 0.00 0.00 38.32 39.25 1g41 h ASN 33 CO 0.10 0.45 0.53 0.03 -1.65 0.00 0.00 177.43 176.89 1g41 h ARG 34 N 0.89 0.95 -0.41 0.81 3.08 -1.60 0.21 114.38 118.31 1g41 h ARG 34 Ca 0.45 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.38 1g41 h ARG 34 Cb 0.49 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 1g41 h ARG 34 CO -0.21 0.63 0.03 2.35 -1.07 0.00 0.00 179.97 181.70 1g41 h TRP 35 N 0.98 0.76 -0.12 3.04 7.01 -1.16 -2.73 115.95 123.73 1g41 h TRP 35 Ca 0.36 -0.12 -0.00 0.00 2.11 0.00 0.00 58.89 61.23 1g41 h TRP 35 Cb 0.11 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 26.97 1g41 h TRP 35 CO -0.03 0.76 0.07 0.00 -2.79 0.00 0.00 178.44 176.45 1g41 h ARG 36 N 0.55 0.16 -0.82 2.65 3.08 -0.30 -2.32 114.38 117.38 1g41 h ARG 36 Ca 0.12 -0.02 0.14 0.00 0.07 0.00 0.00 59.98 60.29 1g41 h ARG 36 Cb 0.44 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.40 1g41 h ARG 36 CO 0.02 0.17 0.54 -0.09 -1.07 0.00 0.00 179.97 179.53 1g41 h ARG 37 N 0.12 0.58 0.00 0.04 2.43 -0.60 0.23 114.38 117.17 1g41 h ARG 37 Ca 0.04 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1g41 h ARG 37 Cb 0.05 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 1g41 h ARG 37 CO -0.01 0.39 0.00 0.52 -1.51 0.00 0.00 179.97 179.36 1g41 h MET 38 N 0.60 0.00 -0.00 0.20 2.86 -1.10 -1.91 114.93 115.58 1g41 h MET 38 Ca 0.40 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.04 1g41 h MET 38 Cb 0.71 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.37 1g41 h MET 38 CO -0.16 0.00 -0.38 1.04 1.06 0.00 0.00 176.91 178.47 1g41 n GLN 39 N -2.91 0.27 -1.89 1.72 1.13 0.78 -4.91 117.38 111.57 1g41 n GLN 39 Ca 0.00 -0.15 -0.29 0.00 -1.94 0.00 0.00 57.00 54.63 1g41 n GLN 39 Cb 0.26 -1.50 0.11 0.00 0.11 0.00 0.00 30.24 29.23 1g41 n GLN 39 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1g41 s LEU 40 N -2.83 2.52 0.29 1.08 1.43 -0.72 -5.10 118.68 115.35 1g41 s LEU 40 Ca 0.16 0.68 0.11 0.00 -1.03 0.00 0.00 54.13 54.05 1g41 s LEU 40 Cb 0.18 -3.07 -0.05 0.00 0.03 0.00 0.00 46.19 43.28 1g41 s LEU 40 CO 0.63 -2.12 -0.17 -1.10 0.23 0.00 0.00 176.35 173.82 1g41 s GLN 41 N -5.63 1.68 0.61 1.70 -0.21 -1.26 -4.85 119.66 111.69 1g41 s GLN 41 Ca 0.65 -1.80 -0.17 0.00 0.02 0.00 0.00 55.36 54.06 1g41 s GLN 41 Cb -0.10 -1.69 -0.03 0.00 1.00 0.00 0.00 33.01 32.20 1g41 s GLN 41 CO 0.50 0.27 1.15 -1.21 -2.12 0.00 0.00 175.29 173.88 1g41 s GLU 42 N -3.55 2.97 -0.16 2.91 0.41 -1.26 -2.06 118.70 117.96 1g41 s GLU 42 Ca 0.30 1.61 0.12 0.00 -0.41 0.00 0.00 54.97 56.60 1g41 s GLU 42 Cb -0.03 -1.95 0.64 0.00 -1.78 0.00 0.00 34.13 31.01 1g41 s GLU 42 CO 0.15 -1.15 1.50 -0.35 -0.49 0.00 0.00 175.26 174.91 1g41 n PRO 43 N -1.85 3.85 0.15 0.39 -0.04 -1.26 -4.84 135.00 131.40 1g41 n PRO 43 Ca 0.12 -2.48 0.12 0.00 -0.04 0.00 0.00 63.50 61.22 1g41 n PRO 43 Cb 0.51 -2.01 0.06 0.00 -0.04 0.00 0.00 33.50 32.02 1g41 n PRO 43 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1g41 h LEU 44 N 3.28 0.00 0.18 1.53 5.85 -1.83 -3.34 115.31 120.97 1g41 h LEU 44 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1g41 h LEU 44 Cb 1.54 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.56 1g41 h LEU 44 CO 0.33 0.00 -0.15 -0.09 -0.34 0.00 0.00 178.44 178.19 1g41 h ARG 45 N 0.00 -0.34 0.00 1.25 2.43 -1.75 -2.86 114.38 113.11 1g41 h ARG 45 Ca -0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1g41 h ARG 45 Cb 1.00 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1g41 h ARG 45 CO 0.00 -0.22 0.00 -2.39 -1.51 0.00 0.00 179.97 175.85 1g41 n HIS 46 N -5.28 0.64 0.09 2.20 1.44 -1.26 -3.33 115.22 109.72 1g41 n HIS 46 Ca -0.08 0.19 -0.07 0.00 -2.01 0.00 0.00 57.72 55.75 1g41 n HIS 46 Cb 0.19 -0.81 -0.02 0.00 0.12 0.00 0.00 29.99 29.47 1g41 n HIS 46 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1g41 h GLU 47 N 0.00 0.11 -6.11 -1.40 4.39 -1.64 -3.43 114.58 106.50 1g41 h GLU 47 Ca 0.00 -0.13 -0.58 0.00 0.34 0.00 0.00 59.36 58.99 1g41 h GLU 47 Cb 0.63 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.26 1g41 h GLU 47 CO 0.00 0.93 0.83 0.08 -1.16 0.00 0.00 179.01 179.69 1g41 s VAL 48 N -3.10 4.57 0.34 3.13 1.01 -1.10 -5.04 120.40 120.21 1g41 s VAL 48 Ca -0.02 1.89 0.08 0.00 0.00 0.00 0.00 61.98 63.93 1g41 s VAL 48 Cb 0.10 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 1g41 s VAL 48 CO 0.82 -0.19 0.22 0.42 0.00 0.00 0.00 175.10 176.37 1g41 s THR 49 N 3.31 3.23 0.36 3.92 -4.23 -1.26 -5.02 115.64 115.95 1g41 s THR 49 Ca 0.47 -1.53 -0.28 0.00 -1.18 0.00 0.00 61.69 59.17 1g41 s THR 49 Cb -0.17 -3.07 -0.11 0.00 1.34 0.00 0.00 72.50 70.49 1g41 s THR 49 CO 0.09 -0.17 1.42 -2.84 -0.54 0.00 0.00 174.62 172.58 1g41 s PRO 50 N -3.93 4.20 -0.92 3.99 0.02 -1.26 -4.93 135.00 132.17 1g41 s PRO 50 Ca 0.40 2.44 -0.18 0.00 0.02 0.00 0.00 61.00 63.68 1g41 s PRO 50 Cb -0.04 -3.01 0.15 0.00 0.02 0.00 0.00 34.50 31.62 1g41 s PRO 50 CO 0.25 -0.40 1.08 0.15 -0.33 0.00 0.00 177.00 177.74 1g41 s LYS 51 N -1.96 3.62 0.64 5.54 -0.14 -1.26 -5.00 119.74 121.18 1g41 s LYS 51 Ca 0.51 -1.91 -0.18 0.00 -1.36 0.00 0.00 55.97 53.03 1g41 s LYS 51 Cb -0.44 -4.84 -0.01 0.00 -1.68 0.00 0.00 37.83 30.86 1g41 s LYS 51 CO 0.59 -1.69 1.29 -0.80 -0.76 0.00 0.00 175.35 173.98 1g41 s ASN 52 N 3.35 4.65 -0.02 2.83 0.01 -1.26 -4.72 114.94 119.78 1g41 s ASN 52 Ca 0.30 2.61 0.03 0.00 -0.71 0.00 0.00 52.86 55.09 1g41 s ASN 52 Cb -0.06 -2.62 -0.03 0.00 0.41 0.00 0.00 41.25 38.96 1g41 s ASN 52 CO -0.09 -1.97 -0.08 -0.63 -1.51 0.00 0.00 177.10 172.81 1g41 s ILE 53 N -1.41 3.55 -0.20 0.60 1.01 -0.50 -2.36 121.20 121.89 1g41 s ILE 53 Ca 0.82 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 60.79 1g41 s ILE 53 Cb -0.37 -2.50 0.03 0.00 0.01 0.00 0.00 42.46 39.63 1g41 s ILE 53 CO 0.39 0.47 -0.17 -0.22 0.00 0.00 0.00 174.94 175.41 1g41 s LEU 54 N -1.16 2.54 -0.12 2.97 2.96 -0.18 -0.07 118.68 125.61 1g41 s LEU 54 Ca 0.15 -0.87 -0.13 0.00 -0.22 0.00 0.00 54.13 53.06 1g41 s LEU 54 Cb -0.11 -1.51 -0.05 0.00 0.50 0.00 0.00 46.19 45.03 1g41 s LEU 54 CO 0.05 -0.06 0.29 -0.04 -1.32 0.00 0.00 176.35 175.27 1g41 s MET 55 N 1.24 4.07 -0.20 1.98 -1.94 0.17 -2.16 119.30 122.45 1g41 s MET 55 Ca 0.01 0.12 0.01 0.00 -1.71 0.00 0.00 55.69 54.12 1g41 s MET 55 Cb -0.15 -3.35 0.02 0.00 2.01 0.00 0.00 34.83 33.36 1g41 s MET 55 CO -0.10 0.41 -0.16 0.42 -0.01 0.00 0.00 175.02 175.57 1g41 s ILE 56 N -0.06 2.27 0.00 2.53 1.01 -0.26 -1.74 121.20 124.95 1g41 s ILE 56 Ca 0.18 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 59.83 1g41 s ILE 56 Cb -0.14 -2.03 0.00 0.00 0.01 0.00 0.00 42.46 40.31 1g41 s ILE 56 CO 0.06 0.43 0.00 0.61 0.00 0.00 0.00 174.94 176.03 1g41 n GLY 57 N 4.62 0.54 3.64 6.18 0.00 -0.85 -0.54 105.19 118.78 1g41 n GLY 57 Ca -0.19 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 44.78 1g41 n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1g41 s PRO 58 N -2.00 0.23 0.40 1.61 0.04 -1.26 -3.89 135.00 130.12 1g41 s PRO 58 Ca 0.00 0.64 -0.24 0.00 0.04 0.00 0.00 61.00 61.43 1g41 s PRO 58 Cb 0.00 -1.70 -0.09 0.00 0.04 0.00 0.00 34.50 32.75 1g41 s PRO 58 CO 0.00 -2.90 1.07 -0.08 0.04 0.00 0.00 177.00 175.13 1g41 s THR 59 N -2.85 3.64 -1.06 1.26 -1.32 -1.26 -3.97 115.64 110.08 1g41 s THR 59 Ca 0.66 1.28 -0.04 0.00 -1.21 0.00 0.00 61.69 62.38 1g41 s THR 59 Cb -0.20 -3.67 0.00 0.00 -1.51 0.00 0.00 72.50 67.12 1g41 s THR 59 CO 0.59 0.03 0.52 0.61 -2.21 0.00 0.00 174.62 174.16 1g41 n GLY 60 N 0.42 -0.14 0.20 6.08 0.00 -1.26 -3.73 105.19 106.75 1g41 n GLY 60 Ca 0.05 -0.12 0.02 0.00 0.00 0.00 0.00 46.02 45.97 1g41 n GLY 60 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1g41 n VAL 61 N -4.16 0.66 0.00 1.61 0.24 -1.25 -1.25 118.33 114.18 1g41 n VAL 61 Ca -0.06 -0.83 0.00 0.00 -2.04 0.00 0.00 64.34 61.41 1g41 n VAL 61 Cb 0.58 0.70 0.00 0.00 -1.47 0.00 0.00 33.84 33.64 1g41 n VAL 61 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1g41 n GLY 62 N -0.03 1.18 0.49 7.63 0.00 -1.26 -4.93 105.19 108.27 1g41 n GLY 62 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 1g41 n GLY 62 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1g41 h LYS 63 N 1.56 -1.16 -0.29 1.61 1.57 -1.94 0.07 116.57 117.98 1g41 h LYS 63 Ca 0.00 0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1g41 h LYS 63 Cb 0.00 0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1g41 h LYS 63 CO 0.00 -0.77 0.11 1.15 -0.57 0.00 0.00 179.45 179.37 1g41 h THR 64 N -1.21 1.18 -0.91 -0.16 2.02 -1.99 -2.74 112.91 109.11 1g41 h THR 64 Ca -0.12 -0.56 0.10 0.00 0.77 0.00 0.00 66.41 66.60 1g41 h THR 64 Cb 0.93 1.00 -0.08 0.00 -1.74 0.00 0.00 68.15 68.27 1g41 h THR 64 CO 0.18 0.19 0.55 -0.08 0.37 0.00 0.00 175.52 176.73 1g41 h GLU 65 N 0.32 0.89 -0.78 6.66 4.57 -1.97 0.48 114.58 124.75 1g41 h GLU 65 Ca 0.10 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.19 1g41 h GLU 65 Cb 0.19 -0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 28.54 1g41 h GLU 65 CO -0.01 0.59 0.37 0.82 -1.18 0.00 0.00 179.01 179.61 1g41 h ILE 66 N 0.92 1.25 -0.30 2.32 2.04 -0.78 -0.18 117.51 122.78 1g41 h ILE 66 Ca 0.43 -0.70 -0.09 0.00 1.00 0.00 0.00 64.86 65.50 1g41 h ILE 66 Cb 0.36 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1g41 h ILE 66 CO -0.24 0.30 -0.15 0.00 0.00 0.00 0.00 178.15 178.06 1g41 h ALA 67 N 1.19 0.42 0.33 1.87 0.00 -0.64 -0.50 119.26 121.92 1g41 h ALA 67 Ca 0.27 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1g41 h ALA 67 Cb 0.12 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1g41 h ALA 67 CO -0.03 0.32 -0.20 0.00 0.00 0.00 0.00 179.25 179.34 1g41 h ARG 68 N 0.38 -0.48 -0.73 0.00 3.08 0.10 -1.81 114.38 114.91 1g41 h ARG 68 Ca 0.07 0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.21 1g41 h ARG 68 Cb 0.68 0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.78 1g41 h ARG 68 CO 0.05 -0.32 0.42 -0.09 -1.07 0.00 0.00 179.97 178.95 1g41 h ARG 69 N -0.50 0.73 -0.33 0.04 9.65 -1.05 -0.98 114.38 121.94 1g41 h ARG 69 Ca -0.03 -0.04 0.04 0.00 -1.10 0.00 0.00 59.98 58.85 1g41 h ARG 69 Cb 0.41 -0.16 -0.04 0.00 -1.39 0.00 0.00 29.97 28.78 1g41 h ARG 69 CO 0.04 0.48 0.08 1.25 2.80 0.00 0.00 179.97 184.62 1g41 h LEU 70 N 0.75 0.04 -1.00 3.80 5.85 -0.77 -0.57 115.31 123.41 1g41 h LEU 70 Ca 0.33 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 59.09 1g41 h LEU 70 Cb 0.22 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 1g41 h LEU 70 CO -0.19 0.06 0.52 0.00 -0.34 0.00 0.00 178.44 178.49 1g41 h ALA 71 N 1.24 1.24 0.91 1.25 0.00 -0.70 -2.38 119.26 120.82 1g41 h ALA 71 Ca 0.15 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1g41 h ALA 71 Cb 0.16 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 17.60 1g41 h ALA 71 CO -0.19 0.64 -0.47 0.87 0.00 0.00 0.00 179.25 180.09 1g41 h LYS 72 N 1.23 -1.22 0.00 0.00 1.79 -0.23 -0.53 116.57 117.60 1g41 h LYS 72 Ca 0.32 0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.87 1g41 h LYS 72 Cb -0.03 0.28 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 1g41 h LYS 72 CO -0.06 -0.82 0.00 1.37 -1.08 0.00 0.00 179.45 178.87 1g41 h LEU 73 N -1.27 0.00 -1.35 2.94 8.10 -1.07 -0.49 115.31 122.17 1g41 h LEU 73 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.87 1g41 h LEU 73 Cb 0.99 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.21 1g41 h LEU 73 CO 0.18 0.00 -0.29 0.00 -4.11 0.00 0.00 178.44 174.23 1g41 n ALA 74 N -1.89 3.12 -3.60 0.17 0.00 -0.90 -4.97 120.51 112.43 1g41 n ALA 74 Ca -0.01 -0.66 -0.23 0.00 0.00 0.00 0.00 53.44 52.55 1g41 n ALA 74 Cb 0.12 -0.81 0.04 0.00 0.00 0.00 0.00 19.45 18.80 1g41 n ALA 74 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1g41 n ASN 75 N 0.50 -3.35 -4.29 0.00 3.02 -0.19 -4.80 115.26 106.15 1g41 n ASN 75 Ca 0.11 -0.85 -0.20 0.00 -0.03 0.00 0.00 54.58 53.62 1g41 n ASN 75 Cb 0.52 -4.12 -0.11 0.00 -0.61 0.00 0.00 39.78 35.45 1g41 n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1g41 s ALA 76 N -3.56 1.76 -0.01 5.41 0.00 -0.32 -5.05 121.76 120.00 1g41 s ALA 76 Ca 0.22 -1.39 -0.30 0.00 0.00 0.00 0.00 51.96 50.48 1g41 s ALA 76 Cb -0.06 -0.13 -0.06 0.00 0.00 0.00 0.00 23.12 22.87 1g41 s ALA 76 CO 0.81 0.17 1.62 -2.14 0.00 0.00 0.00 175.76 176.22 1g41 s PRO 77 N -2.73 4.20 0.26 0.00 0.02 -1.26 -4.65 135.00 130.84 1g41 s PRO 77 Ca 0.12 2.20 0.10 0.00 0.02 0.00 0.00 61.00 63.44 1g41 s PRO 77 Cb -0.05 -3.81 -0.04 0.00 0.02 0.00 0.00 34.50 30.61 1g41 s PRO 77 CO 0.05 -0.77 -0.04 0.12 -0.33 0.00 0.00 177.00 176.03 1g41 s PHE 78 N 3.38 2.64 -0.28 6.54 5.36 -1.26 -1.16 117.98 133.19 1g41 s PHE 78 Ca 0.72 -0.23 -0.15 0.00 -0.96 0.00 0.00 56.93 56.30 1g41 s PHE 78 Cb -0.35 -1.18 0.10 0.00 -0.34 0.00 0.00 43.02 41.25 1g41 s PHE 78 CO 0.30 0.62 0.74 -1.50 -1.46 0.00 0.00 175.22 173.92 1g41 s ILE 79 N -2.27 -0.09 -0.05 3.12 1.10 -0.99 -4.85 121.20 117.17 1g41 s ILE 79 Ca 0.30 0.00 -0.01 0.00 -0.51 0.00 0.00 60.65 60.44 1g41 s ILE 79 Cb -0.07 -1.00 -0.03 0.00 0.15 0.00 0.00 42.46 41.51 1g41 s ILE 79 CO 0.19 0.00 0.02 -0.75 -2.11 0.00 0.00 174.94 172.28 1g41 s LYS 80 N 1.71 2.95 -0.02 3.50 2.20 -1.26 -0.45 119.74 128.37 1g41 s LYS 80 Ca -0.09 -0.47 -0.09 0.00 -0.36 0.00 0.00 55.97 54.96 1g41 s LYS 80 Cb -0.05 -2.78 0.01 0.00 -1.51 0.00 0.00 37.83 33.50 1g41 s LYS 80 CO -0.19 0.68 0.19 0.08 -0.36 0.00 0.00 175.35 175.75 1g41 s VAL 81 N -0.99 0.06 -0.27 4.02 1.01 -0.35 -4.95 120.40 118.92 1g41 s VAL 81 Ca 0.16 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.57 1g41 s VAL 81 Cb -0.11 -0.44 -0.05 0.00 0.00 0.00 0.00 36.38 35.78 1g41 s VAL 81 CO 0.06 -0.26 0.18 -1.61 0.00 0.00 0.00 175.10 173.47 1g41 s GLU 82 N -0.99 3.96 0.13 2.72 8.01 -1.26 -0.94 118.70 130.32 1g41 s GLU 82 Ca -0.11 -0.32 -0.32 0.00 0.01 0.00 0.00 54.97 54.23 1g41 s GLU 82 Cb -0.06 -3.63 -0.10 0.00 -4.31 0.00 0.00 34.13 26.04 1g41 s GLU 82 CO 0.02 -0.14 1.55 0.00 0.01 0.00 0.00 175.26 176.70 1g41 h ALA 83 N 8.23 -0.75 0.00 5.21 0.00 -1.66 -0.89 119.26 129.40 1g41 h ALA 83 Ca -0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1g41 h ALA 83 Cb 1.19 1.05 0.00 0.00 0.00 0.00 0.00 17.79 20.03 1g41 h ALA 83 CO 0.57 -1.03 0.33 1.79 0.00 0.00 0.00 179.25 180.91 1g41 h THR 84 N -0.44 0.00 -0.05 0.00 1.35 -1.84 -0.76 112.91 111.18 1g41 h THR 84 Ca 0.07 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 65.95 1g41 h THR 84 Cb 0.62 0.30 -0.00 0.00 -1.73 0.00 0.00 68.15 67.34 1g41 h THR 84 CO -0.55 0.00 0.04 0.50 -0.25 0.00 0.00 175.52 175.27 1g41 h LYS 85 N 0.00 0.00 -0.00 4.72 3.64 -1.57 -2.72 116.57 120.64 1g41 h LYS 85 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1g41 h LYS 85 Cb 0.66 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1g41 h LYS 85 CO 0.00 0.00 -0.83 1.19 -2.27 0.00 0.00 179.45 177.54 1g41 n PHE 86 N -4.10 0.00 0.00 1.91 3.01 -0.29 -4.66 117.46 113.33 1g41 n PHE 86 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1g41 n PHE 86 Cb 0.14 -0.07 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 1g41 n PHE 86 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1g41 n THR 87 N -1.43 0.00 0.00 4.37 -2.24 -1.03 -4.88 114.28 109.07 1g41 n THR 87 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1g41 n THR 87 Cb 0.34 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 1g41 n THR 87 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1g41 n VAL 92 N 0.21 0.00 0.00 2.28 0.31 -1.26 -5.02 118.33 114.85 1g41 n VAL 92 Ca 0.00 0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.50 1g41 n VAL 92 Cb 0.00 -0.54 0.00 0.00 -0.91 0.00 0.00 33.84 32.39 1g41 n VAL 92 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1g41 n GLY 93 N 0.00 0.81 3.63 2.92 0.00 -1.26 -5.09 105.19 106.19 1g41 n GLY 93 Ca 0.00 -2.01 -0.30 0.00 0.00 0.00 0.00 46.02 43.71 1g41 n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g41 s LYS 94 N -1.28 2.33 -0.13 1.61 -0.14 -1.26 -5.12 119.74 115.74 1g41 s LYS 94 Ca 0.00 -0.93 -0.07 0.00 -1.36 0.00 0.00 55.97 53.60 1g41 s LYS 94 Cb 0.00 -2.42 -0.04 0.00 -1.68 0.00 0.00 37.83 33.69 1g41 s LYS 94 CO 0.00 0.53 0.14 -1.83 -0.76 0.00 0.00 175.35 173.42 1g41 s GLU 95 N -2.22 3.53 0.52 1.68 -1.05 -1.26 -4.82 118.70 115.08 1g41 s GLU 95 Ca 0.23 -0.14 0.34 0.00 -0.15 0.00 0.00 54.97 55.25 1g41 s GLU 95 Cb -0.11 -3.22 1.49 0.00 -0.44 0.00 0.00 34.13 31.85 1g41 s GLU 95 CO 0.15 0.72 1.78 -0.39 0.95 0.00 0.00 175.26 178.47 1g41 h VAL 96 N 4.07 0.39 -0.10 1.83 -1.51 -1.96 0.36 116.25 119.34 1g41 h VAL 96 Ca -0.53 -0.02 0.03 0.00 -1.23 0.00 0.00 66.70 64.94 1g41 h VAL 96 Cb 1.22 0.32 -0.00 0.00 -2.13 0.00 0.00 31.29 30.70 1g41 h VAL 96 CO 0.60 0.01 0.20 0.44 -1.23 0.00 0.00 177.57 177.60 1g41 h ASP 97 N 0.06 0.00 -0.91 4.19 3.45 -1.94 0.14 116.42 121.43 1g41 h ASP 97 Ca 0.60 0.00 0.08 0.00 0.43 0.00 0.00 57.03 58.14 1g41 h ASP 97 Cb 2.24 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 40.95 1g41 h ASP 97 CO -0.07 0.00 0.59 0.77 -1.57 0.00 0.00 179.24 178.96 1g41 h SER 98 N 0.00 0.86 -0.20 6.45 4.64 -0.67 -0.59 113.55 124.03 1g41 h SER 98 Ca 0.05 0.02 0.06 0.00 -0.47 0.00 0.00 61.79 61.44 1g41 h SER 98 Cb 0.45 -0.16 -0.07 0.00 -0.31 0.00 0.00 62.40 62.31 1g41 h SER 98 CO -0.00 0.52 -0.27 0.40 -0.87 0.00 0.00 176.83 176.61 1g41 h ILE 99 N 0.96 0.35 0.00 0.95 2.04 -0.89 0.69 117.51 121.61 1g41 h ILE 99 Ca 0.41 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 66.20 1g41 h ILE 99 Cb 0.32 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1g41 h ILE 99 CO -0.17 0.00 -0.35 0.40 0.00 0.00 0.00 178.15 178.03 1g41 h ILE 100 N -0.30 1.16 0.24 -0.67 1.08 -1.45 -0.67 117.51 116.90 1g41 h ILE 100 Ca 0.12 -1.24 -0.01 0.00 -0.39 0.00 0.00 64.86 63.34 1g41 h ILE 100 Cb 0.49 1.68 0.00 0.00 -3.07 0.00 0.00 36.82 35.93 1g41 h ILE 100 CO -0.38 0.34 -0.12 -0.09 -0.69 0.00 0.00 178.15 177.22 1g41 h ARG 101 N 0.00 -0.32 -0.93 2.37 2.43 0.41 -1.77 114.38 116.58 1g41 h ARG 101 Ca -0.00 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.25 1g41 h ARG 101 Cb 0.66 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.21 1g41 h ARG 101 CO 0.05 0.05 0.59 -0.44 -1.51 0.00 0.00 179.97 178.70 1g41 h ASP 102 N -0.84 0.93 -0.43 -3.80 3.32 0.39 -1.13 116.42 114.86 1g41 h ASP 102 Ca -0.03 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1g41 h ASP 102 Cb 0.51 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1g41 h ASP 102 CO 0.06 0.59 0.25 0.25 -1.72 0.00 0.00 179.24 178.67 1g41 h LEU 103 N 1.07 0.56 -0.65 1.55 5.85 -1.10 -1.08 115.31 121.50 1g41 h LEU 103 Ca 0.40 -0.04 -0.14 0.00 0.84 0.00 0.00 57.88 58.94 1g41 h LEU 103 Cb 0.17 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1g41 h LEU 103 CO -0.17 0.45 -0.67 0.74 -0.34 0.00 0.00 178.44 178.45 1g41 h THR 104 N 0.64 1.48 -0.01 1.05 2.02 -0.29 -1.89 112.91 115.90 1g41 h THR 104 Ca 0.16 -2.30 -0.00 0.00 0.77 0.00 0.00 66.41 65.04 1g41 h THR 104 Cb 0.02 2.24 -0.00 0.00 -1.74 0.00 0.00 68.15 68.67 1g41 h THR 104 CO -0.03 0.66 -0.00 0.44 0.37 0.00 0.00 175.52 176.96 1g41 h ASP 105 N 0.01 0.02 -0.99 4.18 3.32 -0.70 -1.48 116.42 120.78 1g41 h ASP 105 Ca -0.01 -0.36 0.19 0.00 0.02 0.00 0.00 57.03 56.87 1g41 h ASP 105 Cb 1.19 -0.01 -0.10 0.00 0.22 0.00 0.00 39.33 40.64 1g41 h ASP 105 CO 0.09 0.38 0.61 0.28 -1.72 0.00 0.00 179.24 178.88 1g41 h SER 106 N -0.33 0.73 0.72 6.45 0.02 -1.13 0.63 113.55 120.63 1g41 h SER 106 Ca 0.00 0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 60.98 1g41 h SER 106 Cb 0.37 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 1g41 h SER 106 CO 0.00 0.28 -0.26 0.00 -1.14 0.00 0.00 176.83 175.71 1g41 h ALA 107 N 1.63 1.10 0.09 3.77 0.00 -1.00 -2.78 119.26 122.07 1g41 h ALA 107 Ca 0.55 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1g41 h ALA 107 Cb 0.91 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1g41 h ALA 107 CO -0.33 0.33 -0.04 0.52 0.00 0.00 0.00 179.25 179.72 1g41 h MET 108 N 0.00 -0.11 -0.24 0.00 2.07 0.13 -1.51 114.93 115.27 1g41 h MET 108 Ca -0.00 0.01 0.04 0.00 -2.07 0.00 0.00 59.70 57.68 1g41 h MET 108 Cb 0.69 0.03 -0.04 0.00 -1.87 0.00 0.00 31.60 30.41 1g41 h MET 108 CO 0.03 0.28 -0.01 0.87 1.07 0.00 0.00 176.91 179.15 1g41 h LYS 109 N -0.53 0.06 -0.58 1.72 1.57 -1.40 0.42 116.57 117.82 1g41 h LYS 109 Ca -0.01 -0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.86 1g41 h LYS 109 Cb 0.44 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.66 1g41 h LYS 109 CO 0.02 0.04 0.17 1.25 -0.57 0.00 0.00 179.45 180.36 1g41 h LEU 110 N 0.06 0.11 -0.19 2.94 5.85 -1.49 -1.10 115.31 121.49 1g41 h LEU 110 Ca 0.12 0.09 -0.11 0.00 0.84 0.00 0.00 57.88 58.82 1g41 h LEU 110 Cb 0.16 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 1g41 h LEU 110 CO -0.21 0.07 -0.30 0.58 -0.34 0.00 0.00 178.44 178.24 1g41 h VAL 111 N 0.32 1.34 0.03 1.05 2.07 -0.44 -2.92 116.25 117.70 1g41 h VAL 111 Ca 0.30 -1.53 -0.00 0.00 0.82 0.00 0.00 66.70 66.29 1g41 h VAL 111 Cb 0.40 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1g41 h VAL 111 CO -0.34 0.47 -0.02 0.03 0.02 0.00 0.00 177.57 177.73 1g41 h ARG 112 N 0.20 -0.04 -1.03 1.57 3.08 0.25 0.12 114.38 118.52 1g41 h ARG 112 Ca 0.02 0.00 0.30 0.00 0.07 0.00 0.00 59.98 60.37 1g41 h ARG 112 Cb 0.89 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.91 1g41 h ARG 112 CO 0.07 -0.03 0.84 1.96 -1.07 0.00 0.00 179.97 181.74 1g41 h GLN 113 N -0.04 0.00 0.06 0.04 4.20 -1.36 0.29 115.11 118.29 1g41 h GLN 113 Ca -0.00 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.43 1g41 h GLN 113 Cb 0.03 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1g41 h GLN 113 CO 0.01 0.00 -1.40 1.96 -0.67 0.00 0.00 178.83 178.73 1g41 h GLN 114 N 0.00 0.12 0.16 1.46 4.20 -1.33 -3.17 115.11 116.56 1g41 h GLN 114 Ca 0.49 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.99 1g41 h GLN 114 Cb 2.16 0.07 0.00 0.00 0.30 0.00 0.00 27.48 30.02 1g41 h GLN 114 CO -0.01 0.94 -0.08 0.93 -0.67 0.00 0.00 178.83 179.95 1g41 h GLU 115 N 0.03 -0.21 -0.72 1.46 4.39 0.23 -1.77 114.58 117.99 1g41 h GLU 115 Ca -0.18 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.59 1g41 h GLU 115 Cb 1.94 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 30.59 1g41 h GLU 115 CO 0.13 -0.03 0.47 -0.84 -1.16 0.00 0.00 179.01 177.59 1g41 h ILE 116 N -1.03 1.05 -0.15 3.13 -0.00 -1.44 -2.20 117.51 116.86 1g41 h ILE 116 Ca -0.02 -0.27 -0.11 0.00 -0.00 0.00 0.00 64.86 64.46 1g41 h ILE 116 Cb 0.28 0.19 0.00 0.00 -0.00 0.00 0.00 36.82 37.29 1g41 h ILE 116 CO 0.04 0.14 -0.32 0.00 -0.00 0.00 0.00 178.15 178.01 1g41 h ALA 117 N 1.60 0.25 -0.04 0.16 0.00 -1.67 -3.31 119.26 116.25 1g41 h ALA 117 Ca 0.30 -0.42 -0.69 0.00 0.00 0.00 0.00 54.91 54.10 1g41 h ALA 117 Cb 0.19 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1g41 h ALA 117 CO -0.10 0.29 3.51 1.17 0.00 0.00 0.00 179.25 184.12 1g41 n LYS 118 N -4.36 3.40 0.00 0.00 3.00 -0.66 -4.17 118.16 115.38 1g41 n LYS 118 Ca -0.07 -2.42 0.00 0.00 -0.00 0.00 0.00 58.31 55.83 1g41 n LYS 118 Cb 0.49 -2.99 0.00 0.00 0.00 0.00 0.00 35.03 32.53 1g41 n LYS 118 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1g41 n ASN 119 N 4.50 0.00 -4.24 3.14 2.85 -1.25 -4.87 115.26 115.40 1g41 n ASN 119 Ca 0.67 0.00 -0.14 0.00 -0.11 0.00 0.00 54.58 55.01 1g41 n ASN 119 Cb 0.29 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.21 1g41 n ASN 119 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 1g41 s ARG 120 N 0.00 1.02 0.00 1.20 3.52 -1.26 -4.95 118.95 118.48 1g41 s ARG 120 Ca 0.00 -1.41 0.00 0.00 -0.13 0.00 0.00 55.73 54.19 1g41 s ARG 120 Cb 0.00 -0.57 0.00 0.00 -1.56 0.00 0.00 34.95 32.82 1g41 s ARG 120 CO 0.00 0.07 0.00 1.28 -0.81 0.00 0.00 175.30 175.84 1g41 n LEU 226 N -0.11 0.00 -0.61 -0.88 4.77 -1.26 -5.23 117.00 113.67 1g41 n LEU 226 Ca -0.11 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 55.98 1g41 n LEU 226 Cb 0.60 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.72 1g41 n LEU 226 CO 0.31 0.00 0.40 0.00 -1.33 0.00 0.00 177.39 176.77 1g41 n ILE 227 N 0.00 0.00 -0.23 -0.08 3.06 -1.26 -4.39 119.36 116.46 1g41 n ILE 227 Ca 0.00 -0.36 -0.08 0.00 -2.50 0.00 0.00 62.75 59.81 1g41 n ILE 227 Cb 0.00 1.32 0.03 0.00 0.54 0.00 0.00 39.64 41.53 1g41 n ILE 227 CO 0.00 0.00 0.00 0.44 -2.50 0.00 0.00 176.55 174.49 1g41 h ASP 228 N 2.99 1.07 0.15 9.51 3.32 -2.05 -1.76 116.42 129.65 1g41 h ASP 228 Ca 0.00 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1g41 h ASP 228 Cb 0.78 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1g41 h ASP 228 CO 0.00 1.08 0.00 -0.67 -1.72 0.00 0.00 179.24 177.93 1g41 n ASP 229 N -4.20 0.00 -1.44 6.45 2.03 -1.26 -2.08 116.55 116.05 1g41 n ASP 229 Ca 0.04 -0.27 -0.06 0.00 0.52 0.00 0.00 54.79 55.02 1g41 n ASP 229 Cb 0.31 -0.13 0.10 0.00 -0.72 0.00 0.00 41.12 40.68 1g41 n ASP 229 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1g41 n GLU 230 N -1.13 2.18 0.16 -0.67 2.13 -0.67 -4.74 120.64 117.90 1g41 n GLU 230 Ca 0.11 -3.50 0.05 0.00 0.66 0.00 0.00 57.16 54.47 1g41 n GLU 230 Cb 0.09 -1.68 0.12 0.00 0.27 0.00 0.00 31.44 30.24 1g41 n GLU 230 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1g41 h ALA 231 N 1.59 0.78 -3.00 4.31 0.00 -1.32 -3.44 119.26 118.18 1g41 h ALA 231 Ca 0.10 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1g41 h ALA 231 Cb 1.33 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1g41 h ALA 231 CO 0.31 0.50 0.00 0.00 0.00 0.00 0.00 179.25 180.06 1g41 n ALA 232 N -2.22 0.00 -2.98 0.00 0.00 -1.26 -4.70 120.51 109.35 1g41 n ALA 232 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.25 1g41 n ALA 232 Cb 0.66 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.11 1g41 n ALA 232 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1g41 n LYS 233 N 0.00 -3.57 0.00 0.00 4.01 -1.26 -4.25 118.16 113.09 1g41 n LYS 233 Ca 0.00 0.70 0.00 0.00 -0.51 0.00 0.00 58.31 58.50 1g41 n LYS 233 Cb 0.00 -5.44 0.00 0.00 -0.51 0.00 0.00 35.03 29.08 1g41 n LYS 233 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 1g41 n LEU 234 N -3.60 0.00 -4.55 -0.35 7.94 -1.26 -5.07 117.00 110.10 1g41 n LEU 234 Ca -0.10 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.39 1g41 n LEU 234 Cb 0.60 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.52 1g41 n LEU 234 CO 0.41 0.00 1.51 -0.63 -1.11 0.00 0.00 177.39 177.57 1g41 s ILE 235 N -0.01 4.05 -0.35 1.96 1.09 -1.26 -4.92 121.20 121.75 1g41 s ILE 235 Ca 0.00 -1.05 -0.13 0.00 -1.10 0.00 0.00 60.65 58.37 1g41 s ILE 235 Cb 0.00 -5.05 -0.01 0.00 -1.06 0.00 0.00 42.46 36.33 1g41 s ILE 235 CO 0.00 -1.91 0.25 0.21 -0.10 0.00 0.00 174.94 173.40 1g41 s ASN 236 N 4.70 6.07 0.43 3.58 2.47 -1.26 -4.97 114.94 125.97 1g41 s ASN 236 Ca 0.46 -0.47 0.33 0.00 0.42 0.00 0.00 52.86 53.59 1g41 s ASN 236 Cb 0.00 -2.14 1.44 0.00 -1.45 0.00 0.00 41.25 39.10 1g41 s ASN 236 CO -0.07 -0.27 1.47 -2.65 -3.72 0.00 0.00 177.10 171.86 1g41 n PRO 237 N 5.13 -0.03 0.00 0.43 -0.02 -1.26 0.15 135.00 139.40 1g41 n PRO 237 Ca -0.12 1.16 -0.09 0.00 -2.02 0.00 0.00 63.50 62.43 1g41 n PRO 237 Cb 0.49 -2.34 -0.13 0.00 -0.02 0.00 0.00 33.50 31.50 1g41 n PRO 237 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1g41 h GLU 238 N 0.00 0.02 0.64 -0.52 4.39 -2.00 -3.24 114.58 113.88 1g41 h GLU 238 Ca 0.84 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 60.49 1g41 h GLU 238 Cb 2.80 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 31.45 1g41 h GLU 238 CO -0.38 0.67 -0.41 1.49 -1.16 0.00 0.00 179.01 179.22 1g41 h GLU 239 N 0.00 -0.96 -0.49 2.33 4.57 0.96 -2.21 114.58 118.79 1g41 h GLU 239 Ca -0.21 0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.00 1g41 h GLU 239 Cb 1.95 0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 30.74 1g41 h GLU 239 CO 0.10 -0.64 0.17 -0.07 -1.18 0.00 0.00 179.01 177.39 1g41 h LEU 240 N -0.99 0.69 -0.50 1.64 4.07 -1.56 -2.52 115.31 116.13 1g41 h LEU 240 Ca -0.08 -0.19 0.03 0.00 0.08 0.00 0.00 57.88 57.72 1g41 h LEU 240 Cb 0.81 -0.18 -0.04 0.00 1.08 0.00 0.00 40.66 42.33 1g41 h LEU 240 CO 0.07 0.69 0.29 0.11 -1.08 0.00 0.00 178.44 178.52 1g41 h LYS 241 N 0.65 0.56 -0.04 1.13 1.57 -1.57 0.20 116.57 119.07 1g41 h LYS 241 Ca 0.16 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.83 1g41 h LYS 241 Cb 0.23 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1g41 h LYS 241 CO -0.01 0.37 -0.35 0.37 -0.57 0.00 0.00 179.45 179.26 1g41 h GLN 242 N 0.57 0.07 0.05 3.15 5.75 -1.37 -1.45 115.11 121.89 1g41 h GLN 242 Ca 0.21 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.68 1g41 h GLN 242 Cb 0.05 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.59 1g41 h GLN 242 CO -0.11 0.42 -0.02 0.87 -2.65 0.00 0.00 178.83 177.34 1g41 h LYS 243 N 0.06 -0.06 -0.76 1.69 1.57 -0.88 -0.44 116.57 117.76 1g41 h LYS 243 Ca 0.01 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.86 1g41 h LYS 243 Cb 0.66 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.92 1g41 h LYS 243 CO 0.05 0.44 0.44 0.00 -0.57 0.00 0.00 179.45 179.81 1g41 h ALA 244 N 0.31 1.05 -0.33 3.86 0.00 -0.54 0.17 119.26 123.77 1g41 h ALA 244 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1g41 h ALA 244 Cb 0.53 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1g41 h ALA 244 CO 0.01 0.12 0.21 0.82 0.00 0.00 0.00 179.25 180.42 1g41 h ILE 245 N 0.79 1.09 -0.97 0.00 1.08 -1.25 -2.05 117.51 116.19 1g41 h ILE 245 Ca 0.35 -0.18 0.03 0.00 -0.39 0.00 0.00 64.86 64.66 1g41 h ILE 245 Cb 0.23 0.63 -0.05 0.00 -3.07 0.00 0.00 36.82 34.55 1g41 h ILE 245 CO -0.20 0.09 0.64 -0.78 -0.69 0.00 0.00 178.15 177.21 1g41 h ASP 246 N 0.44 1.08 0.07 1.72 -0.00 0.43 -0.05 116.42 120.10 1g41 h ASP 246 Ca 0.12 -0.02 -0.00 0.00 -0.00 0.00 0.00 57.03 57.13 1g41 h ASP 246 Cb -0.03 -0.25 0.00 0.00 -0.00 0.00 0.00 39.33 39.04 1g41 h ASP 246 CO -0.02 0.75 -0.03 0.00 -0.00 0.00 0.00 179.24 179.93 1g41 h ALA 247 N 1.38 -0.09 -0.69 -0.78 0.00 -0.33 -1.43 119.26 117.33 1g41 h ALA 247 Ca 0.38 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1g41 h ALA 247 Cb -0.05 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1g41 h ALA 247 CO -0.11 -0.48 0.38 0.28 0.00 0.00 0.00 179.25 179.32 1g41 h VAL 248 N -0.23 1.21 -0.14 0.00 2.07 -1.06 0.37 116.25 118.47 1g41 h VAL 248 Ca -0.01 -0.54 -0.13 0.00 0.82 0.00 0.00 66.70 66.84 1g41 h VAL 248 Cb 0.20 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1g41 h VAL 248 CO 0.02 0.24 -0.48 -0.33 0.02 0.00 0.00 177.57 177.03 1g41 h GLU 249 N 0.94 0.36 0.01 1.57 5.08 -0.93 -2.27 114.58 119.34 1g41 h GLU 249 Ca 0.24 -0.20 -0.36 0.00 -1.00 0.00 0.00 59.36 58.04 1g41 h GLU 249 Cb 0.04 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.24 1g41 h GLU 249 CO -0.04 0.77 -2.31 0.94 -1.00 0.00 0.00 179.01 177.37 1g41 n GLN 250 N -3.97 0.68 0.00 2.33 -0.06 -0.55 -3.96 117.38 111.85 1g41 n GLN 250 Ca -0.02 0.08 0.00 0.00 -2.00 0.00 0.00 57.00 55.06 1g41 n GLN 250 Cb 0.54 -1.56 0.00 0.00 -4.06 0.00 0.00 30.24 25.16 1g41 n GLN 250 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 1g41 n ASN 251 N -2.93 1.06 -4.75 1.69 3.02 0.13 -4.87 115.26 108.61 1g41 n ASN 251 Ca -0.34 -1.47 -0.42 0.00 -0.03 0.00 0.00 54.58 52.33 1g41 n ASN 251 Cb 1.10 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 40.27 1g41 n ASN 251 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1g41 n GLY 252 N -0.24 1.07 2.91 7.41 0.00 -0.85 -4.30 105.19 111.20 1g41 n GLY 252 Ca 0.00 0.35 -0.24 0.00 0.00 0.00 0.00 46.02 46.12 1g41 n GLY 252 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1g41 s ILE 253 N -0.86 0.86 -0.15 -0.61 1.01 -0.31 -0.55 121.20 120.59 1g41 s ILE 253 Ca 0.56 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.97 1g41 s ILE 253 Cb -0.51 -0.88 -0.01 0.00 0.01 0.00 0.00 42.46 41.08 1g41 s ILE 253 CO 0.60 0.32 -0.14 -0.69 0.00 0.00 0.00 174.94 175.03 1g41 s VAL 254 N 1.36 2.85 -0.31 2.92 1.01 -0.49 -2.34 120.40 125.38 1g41 s VAL 254 Ca -0.03 -0.72 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 1g41 s VAL 254 Cb -0.14 -2.20 -0.00 0.00 0.00 0.00 0.00 36.38 34.04 1g41 s VAL 254 CO -0.03 0.52 0.14 0.12 0.00 0.00 0.00 175.10 175.85 1g41 s PHE 255 N 0.63 3.18 -0.56 5.22 5.36 0.41 -0.58 117.98 131.64 1g41 s PHE 255 Ca -0.08 -0.64 -0.11 0.00 -0.96 0.00 0.00 56.93 55.14 1g41 s PHE 255 Cb -0.16 -2.34 0.14 0.00 -0.34 0.00 0.00 43.02 40.32 1g41 s PHE 255 CO 0.03 -0.48 0.46 0.42 -1.46 0.00 0.00 175.22 174.19 1g41 s ILE 256 N 1.60 4.67 0.77 3.12 1.01 0.10 -1.21 121.20 131.25 1g41 s ILE 256 Ca 0.04 -1.91 -0.11 0.00 0.00 0.00 0.00 60.65 58.67 1g41 s ILE 256 Cb -0.17 -4.01 0.05 0.00 0.01 0.00 0.00 42.46 38.34 1g41 s ILE 256 CO 0.06 -0.85 1.08 -0.62 0.00 0.00 0.00 174.94 174.61 1g41 s ASP 257 N 2.69 4.72 -1.76 3.58 3.68 -0.12 -0.38 116.67 129.08 1g41 s ASP 257 Ca 0.08 1.48 -0.19 0.00 2.13 0.00 0.00 52.55 56.05 1g41 s ASP 257 Cb -0.24 -2.26 0.17 0.00 -1.45 0.00 0.00 42.92 39.14 1g41 s ASP 257 CO -0.01 -1.85 0.62 -1.84 0.13 0.00 0.00 175.17 172.22 1g41 n GLU 258 N -3.37 -1.87 0.00 4.34 0.28 -0.78 -2.07 120.64 117.17 1g41 n GLU 258 Ca 0.07 0.24 0.10 0.00 -0.16 0.00 0.00 57.16 57.41 1g41 n GLU 258 Cb 0.55 -4.77 0.47 0.00 1.43 0.00 0.00 31.44 29.12 1g41 n GLU 258 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 177.13 178.48 1g41 n ILE 259 N -4.26 0.49 1.05 3.84 3.06 0.29 -1.72 119.36 122.12 1g41 n ILE 259 Ca 0.04 0.12 0.13 0.00 -2.50 0.00 0.00 62.75 60.55 1g41 n ILE 259 Cb 0.50 -0.80 0.45 0.00 0.54 0.00 0.00 39.64 40.33 1g41 n ILE 259 CO 0.00 0.00 0.00 -0.90 -2.50 0.00 0.00 176.55 173.15 1g41 n ASP 260 N -1.35 0.30 -0.07 9.51 5.75 -1.26 -3.34 116.55 126.08 1g41 n ASP 260 Ca 0.08 0.01 0.13 0.00 -0.01 0.00 0.00 54.79 55.00 1g41 n ASP 260 Cb 0.18 -0.10 0.38 0.00 -1.03 0.00 0.00 41.12 40.54 1g41 n ASP 260 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1g41 n LYS 261 N -1.42 0.27 -0.62 0.11 5.02 -0.70 -3.35 118.16 117.48 1g41 n LYS 261 Ca 0.07 -0.14 0.08 0.00 -2.02 0.00 0.00 58.31 56.31 1g41 n LYS 261 Cb 0.33 -1.50 0.33 0.00 -0.02 0.00 0.00 35.03 34.17 1g41 n LYS 261 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1g41 n ILE 262 N -1.25 2.26 -3.65 -0.18 -5.35 -1.21 -4.95 119.36 105.04 1g41 n ILE 262 Ca 0.08 -1.49 -0.34 0.00 -0.27 0.00 0.00 62.75 60.73 1g41 n ILE 262 Cb 0.33 -0.12 -0.05 0.00 -1.74 0.00 0.00 39.64 38.06 1g41 n ILE 262 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1g41 n LYS 264 N 0.78 2.16 0.00 0.00 2.85 -1.26 -4.95 118.16 117.74 1g41 n LYS 264 Ca -0.08 0.72 0.00 0.00 -1.05 0.00 0.00 58.31 57.90 1g41 n LYS 264 Cb 0.52 -2.91 0.00 0.00 -0.65 0.00 0.00 35.03 31.99 1g41 n LYS 264 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1g41 n LYS 265 N 7.78 0.00 -4.13 -1.58 5.02 -1.26 -4.98 118.16 119.01 1g41 n LYS 265 Ca 0.27 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.32 1g41 n LYS 265 Cb 0.37 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.33 1g41 n LYS 265 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1g41 s GLY 266 N 0.00 1.52 -1.47 0.72 0.00 -1.26 -4.54 107.32 102.29 1g41 s GLY 266 Ca 0.00 -1.39 -0.03 0.00 0.00 0.00 0.00 44.72 43.30 1g41 s GLY 266 CO 0.00 -1.43 0.42 1.18 0.00 0.00 0.00 173.10 173.28 1g41 n GLU 267 N -0.91 -2.99 -0.66 2.90 4.71 -1.26 -4.78 120.64 117.66 1g41 n GLU 267 Ca -0.08 0.36 -0.24 0.00 -0.01 0.00 0.00 57.16 57.19 1g41 n GLU 267 Cb 0.57 -4.50 0.03 0.00 -1.01 0.00 0.00 31.44 26.52 1g41 n GLU 267 CO 0.00 0.00 0.00 2.48 0.09 0.00 0.00 177.13 179.70 1g41 n TYR 268 N -4.42 -3.27 0.00 -0.32 0.18 -1.26 -4.87 117.16 103.19 1g41 n TYR 268 Ca -0.25 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.53 1g41 n TYR 268 Cb 0.66 -0.93 0.00 0.00 -0.38 0.00 0.00 39.34 38.68 1g41 n TYR 268 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1g41 n SER 269 N 2.29 -0.92 0.00 9.48 2.88 -1.26 -4.98 113.62 121.11 1g41 n SER 269 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1g41 n SER 269 Cb 0.38 0.61 0.00 0.00 -0.75 0.00 0.00 64.21 64.44 1g41 n SER 269 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1g41 n GLY 270 N 0.55 2.88 0.00 0.46 0.00 -1.26 -4.56 105.19 103.25 1g41 n GLY 270 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1g41 n GLY 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g41 n ALA 271 N 0.00 1.73 0.17 4.61 0.00 -1.26 -4.59 120.51 121.17 1g41 n ALA 271 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1g41 n ALA 271 Cb 0.00 0.15 0.09 0.00 0.00 0.00 0.00 19.45 19.69 1g41 n ALA 271 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1g41 n ASP 272 N -1.55 0.00 -0.07 0.00 8.00 -1.26 0.16 116.55 121.83 1g41 n ASP 272 Ca 0.00 0.31 -0.15 0.00 0.71 0.00 0.00 54.79 55.66 1g41 n ASP 272 Cb 0.29 -0.35 -0.14 0.00 -0.02 0.00 0.00 41.12 40.90 1g41 n ASP 272 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1g41 n VAL 273 N -1.35 1.56 0.09 2.53 0.31 -1.26 -3.54 118.33 116.67 1g41 n VAL 273 Ca 0.02 -0.71 -0.22 0.00 -0.01 0.00 0.00 64.34 63.41 1g41 n VAL 273 Cb 0.03 -1.16 -0.13 0.00 -0.91 0.00 0.00 33.84 31.67 1g41 n VAL 273 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1g41 h SER 274 N 0.02 0.83 0.63 4.52 0.87 -0.14 -2.97 113.55 117.31 1g41 h SER 274 Ca -0.47 -0.84 -0.03 0.00 -1.23 0.00 0.00 61.79 59.22 1g41 h SER 274 Cb 2.05 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 63.74 1g41 h SER 274 CO 0.02 1.59 -0.41 0.03 -0.53 0.00 0.00 176.83 177.52 1g41 h ARG 275 N 0.18 -0.95 -0.16 2.24 3.08 0.14 -1.79 114.38 117.12 1g41 h ARG 275 Ca -0.19 0.06 0.05 0.00 0.07 0.00 0.00 59.98 59.97 1g41 h ARG 275 Cb 1.89 0.22 -0.01 0.00 0.08 0.00 0.00 29.97 32.15 1g41 h ARG 275 CO 0.23 -0.63 0.24 0.93 -1.07 0.00 0.00 179.97 179.67 1g41 h GLU 276 N -0.99 0.00 -0.16 0.04 5.08 -1.63 0.63 114.58 117.56 1g41 h GLU 276 Ca -0.08 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 1g41 h GLU 276 Cb 0.80 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1g41 h GLU 276 CO 0.07 0.00 -0.26 0.78 -1.00 0.00 0.00 179.01 178.59 1g41 h GLY 277 N 0.00 0.31 0.84 -3.84 0.00 -1.17 0.34 103.07 99.56 1g41 h GLY 277 Ca 0.08 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.12 1g41 h GLY 277 CO -0.00 0.22 -0.03 -2.08 0.00 0.00 0.00 176.54 174.65 1g41 h VAL 278 N 0.26 1.27 -0.40 4.60 2.07 0.78 0.12 116.25 124.95 1g41 h VAL 278 Ca 0.04 -0.99 0.01 0.00 0.82 0.00 0.00 66.70 66.58 1g41 h VAL 278 Cb 0.61 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 1g41 h VAL 278 CO 0.04 0.31 0.25 1.56 0.02 0.00 0.00 177.57 179.75 1g41 h GLN 279 N 0.18 0.48 -0.36 1.57 4.20 -1.20 0.05 115.11 120.04 1g41 h GLN 279 Ca 0.06 -0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.81 1g41 h GLN 279 Cb 0.47 -0.11 -0.06 0.00 0.30 0.00 0.00 27.48 28.09 1g41 h GLN 279 CO 0.02 0.32 0.02 -0.09 -0.67 0.00 0.00 178.83 178.43 1g41 h ARG 280 N 0.50 0.12 0.00 1.46 2.43 -0.67 -0.26 114.38 117.96 1g41 h ARG 280 Ca 0.16 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1g41 h ARG 280 Cb -0.01 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1g41 h ARG 280 CO -0.06 0.08 -0.04 -0.44 -1.51 0.00 0.00 179.97 178.00 1g41 h ASP 281 N 0.12 0.00 1.17 -3.80 5.19 -0.25 -2.55 116.42 116.29 1g41 h ASP 281 Ca 0.17 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.41 1g41 h ASP 281 Cb 0.23 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.72 1g41 h ASP 281 CO -0.28 0.04 -0.84 -0.07 -3.12 0.00 0.00 179.24 174.97 1g41 h LEU 282 N 0.00 0.00 -0.44 1.55 3.38 0.65 -3.37 115.31 117.08 1g41 h LEU 282 Ca -0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1g41 h LEU 282 Cb 0.49 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.14 1g41 h LEU 282 CO 0.00 0.80 -0.38 -0.07 0.09 0.00 0.00 178.44 178.88 1g41 h LEU 283 N 0.00 -1.28 -1.53 1.67 3.38 -0.75 -0.37 115.31 116.42 1g41 h LEU 283 Ca -0.02 0.21 0.27 0.00 0.09 0.00 0.00 57.88 58.43 1g41 h LEU 283 Cb 1.63 0.58 -0.08 0.00 0.09 0.00 0.00 40.66 42.88 1g41 h LEU 283 CO 0.10 -0.34 0.69 -0.65 0.09 0.00 0.00 178.44 178.33 1g41 h PRO 284 N -0.27 0.29 -0.03 1.13 0.11 -1.73 0.58 132.00 132.08 1g41 h PRO 284 Ca 0.17 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.23 1g41 h PRO 284 Cb 0.56 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1g41 h PRO 284 CO -0.59 0.19 -0.10 -0.07 -0.21 0.00 0.00 178.00 177.23 1g41 h LEU 285 N 0.30 0.14 -0.47 2.35 3.38 -1.31 -1.31 115.31 118.39 1g41 h LEU 285 Ca 0.56 -0.63 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1g41 h LEU 285 Cb 1.59 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 1g41 h LEU 285 CO -0.21 0.74 -0.22 -0.37 0.09 0.00 0.00 178.44 178.47 1g41 h VAL 286 N -0.46 0.43 0.00 1.22 -1.51 -0.79 -3.16 116.25 111.97 1g41 h VAL 286 Ca -0.00 -1.36 -0.12 0.00 -1.23 0.00 0.00 66.70 63.98 1g41 h VAL 286 Cb 0.73 2.02 -0.02 0.00 -2.13 0.00 0.00 31.29 31.89 1g41 h VAL 286 CO 0.02 0.22 -0.96 -0.33 -1.23 0.00 0.00 177.57 175.29 1g41 h GLU 287 N 0.00 0.00 0.00 5.19 5.08 0.07 -3.49 114.58 121.43 1g41 h GLU 287 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1g41 h GLU 287 Cb 1.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1g41 h GLU 287 CO 0.03 0.35 0.00 0.41 -1.00 0.00 0.00 179.01 178.79 1g41 n GLY 288 N 1.30 1.90 3.42 -3.84 0.00 -0.59 -4.92 105.19 102.45 1g41 n GLY 288 Ca -0.04 -0.73 -0.21 0.00 0.00 0.00 0.00 46.02 45.04 1g41 n GLY 288 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1g41 s SER 289 N 0.00 2.10 -0.16 1.61 0.01 -0.64 -4.87 113.70 111.75 1g41 s SER 289 Ca 0.00 -1.54 0.01 0.00 1.31 0.00 0.00 55.95 55.73 1g41 s SER 289 Cb 0.00 0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.53 1g41 s SER 289 CO 0.00 -0.82 -0.16 -0.89 0.41 0.00 0.00 173.24 171.77 1g41 s THR 290 N -3.42 2.54 0.01 1.44 2.01 -1.26 -0.69 115.64 116.27 1g41 s THR 290 Ca 0.32 -0.81 0.08 0.00 0.31 0.00 0.00 61.69 61.59 1g41 s THR 290 Cb 0.05 -2.07 -0.03 0.00 0.01 0.00 0.00 72.50 70.47 1g41 s THR 290 CO 0.16 0.52 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.66 1g41 s VAL 291 N 0.86 2.19 0.03 3.82 1.01 0.15 -4.91 120.40 123.54 1g41 s VAL 291 Ca -0.05 -1.23 -0.21 0.00 0.00 0.00 0.00 61.98 60.49 1g41 s VAL 291 Cb -0.15 -1.82 -0.06 0.00 0.00 0.00 0.00 36.38 34.35 1g41 s VAL 291 CO -0.01 0.46 0.63 -0.55 0.00 0.00 0.00 175.10 175.64 1g41 s SER 292 N -0.97 7.07 0.04 3.32 0.15 -1.26 -0.26 113.70 121.79 1g41 s SER 292 Ca 0.11 1.27 -0.01 0.00 0.70 0.00 0.00 55.95 58.02 1g41 s SER 292 Cb -0.10 -2.39 -0.03 0.00 -1.71 0.00 0.00 66.02 61.78 1g41 s SER 292 CO 0.01 0.13 -0.02 0.42 1.20 0.00 0.00 173.24 174.98 1g41 s THR 293 N -0.43 0.19 -0.64 6.45 -4.23 -0.49 -4.89 115.64 111.59 1g41 s THR 293 Ca 0.32 -1.57 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 1g41 s THR 293 Cb -0.19 -1.20 0.00 0.00 1.34 0.00 0.00 72.50 72.45 1g41 s THR 293 CO 0.19 -0.86 0.84 2.29 -0.54 0.00 0.00 174.62 176.54 1g41 n LYS 294 N 0.48 0.00 -0.08 3.99 2.85 -1.26 0.57 118.16 124.72 1g41 n LYS 294 Ca -0.17 0.33 0.06 0.00 -1.05 0.00 0.00 58.31 57.49 1g41 n LYS 294 Cb 0.60 -1.68 0.10 0.00 -0.65 0.00 0.00 35.03 33.39 1g41 n LYS 294 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1g41 n HIS 295 N -1.34 0.20 0.00 5.58 8.25 -1.26 -5.09 115.22 121.55 1g41 n HIS 295 Ca -0.00 -0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 1g41 n HIS 295 Cb 0.18 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.28 1g41 n HIS 295 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1g41 n GLY 296 N 0.68 0.60 3.80 -1.41 0.00 0.19 -4.77 105.19 104.29 1g41 n GLY 296 Ca 0.09 -2.28 -0.34 0.00 0.00 0.00 0.00 46.02 43.50 1g41 n GLY 296 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1g41 s MET 297 N -0.62 4.04 -0.07 1.61 -1.94 -1.26 -1.40 119.30 119.67 1g41 s MET 297 Ca 0.00 1.31 0.00 0.00 -1.71 0.00 0.00 55.69 55.29 1g41 s MET 297 Cb 0.00 -2.23 0.02 0.00 2.01 0.00 0.00 34.83 34.63 1g41 s MET 297 CO 0.00 -0.22 -0.05 0.08 -0.01 0.00 0.00 175.02 174.82 1g41 s VAL 298 N -1.97 0.69 -0.09 -6.03 1.01 0.64 -4.93 120.40 109.71 1g41 s VAL 298 Ca 0.63 -0.16 -0.22 0.00 0.00 0.00 0.00 61.98 62.23 1g41 s VAL 298 Cb -0.15 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 1g41 s VAL 298 CO 0.19 0.28 0.66 -0.54 0.00 0.00 0.00 175.10 175.69 1g41 s LYS 299 N 1.26 4.39 0.00 2.72 1.02 -1.26 -0.68 119.74 127.19 1g41 s LYS 299 Ca -0.05 0.79 0.21 0.00 0.02 0.00 0.00 55.97 56.94 1g41 s LYS 299 Cb -0.14 -3.47 0.56 0.00 -0.52 0.00 0.00 37.83 34.27 1g41 s LYS 299 CO -0.02 0.03 1.46 0.25 -0.92 0.00 0.00 175.35 176.15 1g41 n THR 300 N 3.90 0.38 -0.29 2.17 -2.24 0.14 -4.48 114.28 113.85 1g41 n THR 300 Ca -0.02 -0.56 0.11 0.00 -2.27 0.00 0.00 64.05 61.32 1g41 n THR 300 Cb 0.51 0.67 0.27 0.00 -2.10 0.00 0.00 70.33 69.68 1g41 n THR 300 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1g41 h ASP 301 N 3.35 0.20 -0.38 3.42 5.19 -1.84 -2.65 116.42 123.71 1g41 h ASP 301 Ca 0.00 0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.57 1g41 h ASP 301 Cb 0.74 0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.42 1g41 h ASP 301 CO 0.00 -0.03 0.00 1.41 -3.12 0.00 0.00 179.24 177.50 1g41 n HIS 302 N -5.10 0.99 -2.48 4.55 8.25 -1.25 -4.47 115.22 115.70 1g41 n HIS 302 Ca 0.20 -0.71 -0.42 0.00 -0.26 0.00 0.00 57.72 56.53 1g41 n HIS 302 Cb 0.61 -0.24 -0.03 0.00 1.12 0.00 0.00 29.99 31.45 1g41 n HIS 302 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1g41 s ILE 303 N -2.13 4.11 -0.13 1.59 1.01 -1.00 -4.69 121.20 119.96 1g41 s ILE 303 Ca 0.39 1.57 -0.24 0.00 0.00 0.00 0.00 60.65 62.37 1g41 s ILE 303 Cb 0.28 -4.00 -0.02 0.00 0.01 0.00 0.00 42.46 38.72 1g41 s ILE 303 CO 0.14 0.15 0.77 -0.22 0.00 0.00 0.00 174.94 175.79 1g41 s LEU 304 N 0.75 4.23 -0.15 2.97 2.96 0.28 -4.83 118.68 124.89 1g41 s LEU 304 Ca 0.56 1.17 -0.04 0.00 -0.22 0.00 0.00 54.13 55.60 1g41 s LEU 304 Cb -0.28 -3.16 -0.03 0.00 0.50 0.00 0.00 46.19 43.21 1g41 s LEU 304 CO 0.30 -0.28 -0.02 -0.36 -1.32 0.00 0.00 176.35 174.67 1g41 s PHE 305 N 1.59 3.07 -0.25 5.38 0.40 -1.26 -1.40 117.98 125.51 1g41 s PHE 305 Ca 0.38 -0.18 0.03 0.00 -0.60 0.00 0.00 56.93 56.56 1g41 s PHE 305 Cb -0.17 -1.95 0.06 0.00 0.51 0.00 0.00 43.02 41.47 1g41 s PHE 305 CO 0.15 0.06 -0.11 0.42 0.70 0.00 0.00 175.22 176.44 1g41 s ILE 306 N 0.19 2.07 -0.03 0.64 1.01 0.25 -1.42 121.20 123.92 1g41 s ILE 306 Ca -0.01 -1.53 -0.03 0.00 0.00 0.00 0.00 60.65 59.08 1g41 s ILE 306 Cb -0.13 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 1g41 s ILE 306 CO 0.02 -0.01 0.14 0.00 0.00 0.00 0.00 174.94 175.10 1g41 s ALA 307 N 1.16 3.81 0.09 9.38 0.00 0.90 0.01 121.76 137.11 1g41 s ALA 307 Ca -0.08 -0.78 0.06 0.00 0.00 0.00 0.00 51.96 51.16 1g41 s ALA 307 Cb -0.19 -1.79 -0.03 0.00 0.00 0.00 0.00 23.12 21.10 1g41 s ALA 307 CO -0.06 0.71 -0.15 0.45 0.00 0.00 0.00 175.76 176.71 1g41 s SER 308 N -1.70 1.85 -0.15 0.00 0.15 0.49 0.41 113.70 114.75 1g41 s SER 308 Ca 0.24 -0.67 -0.31 0.00 0.70 0.00 0.00 55.95 55.91 1g41 s SER 308 Cb -0.12 -0.06 0.13 0.00 -1.71 0.00 0.00 66.02 64.26 1g41 s SER 308 CO 0.14 -0.08 1.07 -0.83 1.20 0.00 0.00 173.24 174.75 1g41 s GLY 309 N -1.92 -0.26 0.12 9.45 0.00 -0.71 -0.55 107.32 113.44 1g41 s GLY 309 Ca 0.02 1.86 0.13 0.00 0.00 0.00 0.00 44.72 46.73 1g41 s GLY 309 CO 0.03 0.81 1.07 0.00 0.00 0.00 0.00 173.10 175.01 1g41 h ALA 310 N 2.27 0.61 -6.69 3.20 0.00 -1.86 -2.27 119.26 114.52 1g41 h ALA 310 Ca -0.16 -0.86 -0.54 0.00 0.00 0.00 0.00 54.91 53.35 1g41 h ALA 310 Cb 1.18 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 19.01 1g41 h ALA 310 CO 0.28 1.03 -0.94 1.19 0.00 0.00 0.00 179.25 180.82 1g41 n PHE 311 N -3.12 -1.54 -0.02 0.00 3.72 -1.26 -4.48 117.46 110.77 1g41 n PHE 311 Ca -0.05 0.57 -0.17 0.00 -0.05 0.00 0.00 57.45 57.75 1g41 n PHE 311 Cb 0.87 -3.31 -0.08 0.00 -0.94 0.00 0.00 39.48 36.02 1g41 n PHE 311 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1g41 h GLN 312 N -1.94 0.63 0.00 -1.08 4.20 -1.97 -3.41 115.11 111.53 1g41 h GLN 312 Ca -0.66 -0.53 -0.11 0.00 0.06 0.00 0.00 58.65 57.41 1g41 h GLN 312 Cb 1.38 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 29.27 1g41 h GLN 312 CO 0.61 1.15 -1.10 1.33 -0.67 0.00 0.00 178.83 180.16 1g41 n VAL 313 N -4.10 0.92 -1.57 -0.54 0.24 -1.26 -5.03 118.33 106.99 1g41 n VAL 313 Ca -0.08 0.04 -0.33 0.00 -2.04 0.00 0.00 64.34 61.93 1g41 n VAL 313 Cb 0.68 -1.75 0.07 0.00 -1.47 0.00 0.00 33.84 31.36 1g41 n VAL 313 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1g41 s ALA 314 N -2.27 2.33 0.22 2.33 0.00 -1.26 -5.06 121.76 118.05 1g41 s ALA 314 Ca -0.14 0.54 0.08 0.00 0.00 0.00 0.00 51.96 52.45 1g41 s ALA 314 Cb 0.04 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.78 1g41 s ALA 314 CO 0.19 -1.52 -0.15 1.03 0.00 0.00 0.00 175.76 175.30 1g41 s ARG 315 N -4.24 1.39 0.45 0.00 3.00 -1.26 -4.53 118.95 113.76 1g41 s ARG 315 Ca 0.67 -1.62 0.13 0.00 0.00 0.00 0.00 55.73 54.91 1g41 s ARG 315 Cb -0.21 -1.23 1.06 0.00 0.00 0.00 0.00 34.95 34.57 1g41 s ARG 315 CO 0.45 0.21 2.04 -1.35 0.00 0.00 0.00 175.30 176.65 1g41 h PRO 316 N 2.51 0.32 0.00 3.54 0.11 -1.97 -0.12 132.00 136.39 1g41 h PRO 316 Ca -0.38 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1g41 h PRO 316 Cb 1.23 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1g41 h PRO 316 CO 0.62 0.21 0.00 -1.13 -0.21 0.00 0.00 178.00 177.49 1g41 n SER 317 N -4.48 0.00 0.12 -2.05 3.41 -1.26 -1.47 113.62 107.90 1g41 n SER 317 Ca 0.05 0.45 0.12 0.00 -0.26 0.00 0.00 58.87 59.23 1g41 n SER 317 Cb 0.25 -0.47 0.17 0.00 -0.26 0.00 0.00 64.21 63.90 1g41 n SER 317 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1g41 h ASP 318 N 0.00 0.00 -4.08 4.04 3.32 -1.42 -3.46 116.42 114.82 1g41 h ASP 318 Ca 0.00 -0.06 -0.52 0.00 0.02 0.00 0.00 57.03 56.47 1g41 h ASP 318 Cb 0.13 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.78 1g41 h ASP 318 CO 0.00 0.03 0.47 -0.76 -1.72 0.00 0.00 179.24 177.26 1g41 s LEU 319 N -5.10 3.73 0.43 1.55 1.43 -0.54 -4.54 118.68 115.65 1g41 s LEU 319 Ca 0.06 2.36 -0.25 0.00 -1.03 0.00 0.00 54.13 55.26 1g41 s LEU 319 Cb 0.10 -4.54 -0.09 0.00 0.03 0.00 0.00 46.19 41.68 1g41 s LEU 319 CO 0.70 -1.44 1.31 2.30 0.23 0.00 0.00 176.35 179.45 1g41 n ILE 320 N -1.38 2.64 -0.29 -0.59 -5.35 -1.26 -4.70 119.36 108.43 1g41 n ILE 320 Ca 0.12 -0.50 0.10 0.00 -0.27 0.00 0.00 62.75 62.20 1g41 n ILE 320 Cb 0.49 -1.63 0.25 0.00 -1.74 0.00 0.00 39.64 37.02 1g41 n ILE 320 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 1g41 h PRO 321 N 2.11 0.38 -0.36 6.28 0.13 -1.92 -0.43 132.00 138.20 1g41 h PRO 321 Ca -0.49 -0.02 0.06 0.00 -0.87 0.00 0.00 66.00 64.69 1g41 h PRO 321 Cb 1.29 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1g41 h PRO 321 CO 0.60 0.25 0.25 0.93 -0.23 0.00 0.00 178.00 179.80 1g41 h GLU 322 N 0.39 0.20 0.00 0.86 3.07 -2.01 -1.45 114.58 115.65 1g41 h GLU 322 Ca 0.50 -0.01 -0.20 0.00 -0.50 0.00 0.00 59.36 59.15 1g41 h GLU 322 Cb 0.89 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.72 1g41 h GLU 322 CO -0.50 0.13 -1.15 1.25 -1.40 0.00 0.00 179.01 177.35 1g41 h LEU 323 N 0.21 0.00 -0.02 1.33 5.85 -1.44 -3.28 115.31 117.95 1g41 h LEU 323 Ca 0.16 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1g41 h LEU 323 Cb 0.38 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 1g41 h LEU 323 CO -0.03 0.79 0.01 1.56 -0.34 0.00 0.00 178.44 180.43 1g41 h GLN 324 N 0.00 0.03 -0.07 1.25 4.20 -0.61 -2.58 115.11 117.34 1g41 h GLN 324 Ca -0.11 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.62 1g41 h GLN 324 Cb 1.70 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.47 1g41 h GLN 324 CO 0.08 0.20 0.18 0.78 -0.67 0.00 0.00 178.83 179.40 1g41 h GLY 325 N -0.14 0.00 -2.38 3.46 0.00 -1.52 -0.12 103.07 102.37 1g41 h GLY 325 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1g41 h GLY 325 CO -0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.08 1g41 n ARG 326 N -3.28 2.57 -3.17 4.80 5.12 -0.98 -4.20 116.66 117.52 1g41 n ARG 326 Ca -0.01 -2.30 -0.20 0.00 -1.93 0.00 0.00 57.85 53.41 1g41 n ARG 326 Cb 0.26 -1.53 -0.04 0.00 -1.16 0.00 0.00 32.46 29.99 1g41 n ARG 326 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1g41 n LEU 327 N 1.31 1.25 -0.11 0.55 4.77 -0.06 -4.20 117.00 120.51 1g41 n LEU 327 Ca 0.21 -5.06 0.02 0.00 -0.03 0.00 0.00 56.01 51.15 1g41 n LEU 327 Cb 0.56 0.52 0.31 0.00 -2.33 0.00 0.00 43.42 42.48 1g41 n LEU 327 CO 0.15 2.26 1.17 1.55 -1.33 0.00 0.00 177.39 181.19 1g41 h PRO 328 N 3.18 0.77 -5.36 3.23 0.13 -1.65 -3.42 132.00 128.88 1g41 h PRO 328 Ca 0.10 -0.06 -0.65 0.00 -0.87 0.00 0.00 66.00 64.52 1g41 h PRO 328 Cb 0.89 -0.17 -0.15 0.00 0.13 0.00 0.00 31.00 31.70 1g41 h PRO 328 CO 0.54 0.54 0.08 0.42 -0.23 0.00 0.00 178.00 179.35 1g41 s ILE 329 N -5.61 4.89 -0.19 -3.56 1.01 -0.99 -5.04 121.20 111.71 1g41 s ILE 329 Ca -0.10 0.23 -0.06 0.00 0.00 0.00 0.00 60.65 60.72 1g41 s ILE 329 Cb 0.17 -4.12 -0.03 0.00 0.01 0.00 0.00 42.46 38.49 1g41 s ILE 329 CO 0.76 -0.46 0.03 -0.13 0.00 0.00 0.00 174.94 175.15 1g41 s ARG 330 N 2.67 3.80 -0.02 2.79 1.81 -1.26 -1.01 118.95 127.73 1g41 s ARG 330 Ca 0.22 -0.43 -0.03 0.00 -1.72 0.00 0.00 55.73 53.77 1g41 s ARG 330 Cb -0.15 -3.15 0.00 0.00 -0.45 0.00 0.00 34.95 31.20 1g41 s ARG 330 CO 0.17 0.15 0.07 0.54 -0.68 0.00 0.00 175.30 175.55 1g41 s VAL 331 N 0.68 0.02 -0.09 3.52 0.11 -0.92 -5.00 120.40 118.73 1g41 s VAL 331 Ca 0.02 -0.19 -0.03 0.00 -2.93 0.00 0.00 61.98 58.84 1g41 s VAL 331 Cb -0.14 -0.17 -0.04 0.00 -1.53 0.00 0.00 36.38 34.51 1g41 s VAL 331 CO 0.02 -0.10 0.05 -0.70 -3.33 0.00 0.00 175.10 171.03 1g41 s GLU 332 N -0.30 3.13 -0.04 1.54 2.12 -1.26 -1.10 118.70 122.78 1g41 s GLU 332 Ca -0.04 -0.32 0.02 0.00 0.36 0.00 0.00 54.97 54.99 1g41 s GLU 332 Cb -0.03 -2.92 -0.03 0.00 0.26 0.00 0.00 34.13 31.41 1g41 s GLU 332 CO 0.00 0.72 -0.08 -0.51 -0.54 0.00 0.00 175.26 174.85 1g41 s LEU 333 N -0.98 3.09 0.37 2.70 1.02 0.30 -4.47 118.68 120.70 1g41 s LEU 333 Ca 0.14 -0.09 0.01 0.00 0.02 0.00 0.00 54.13 54.21 1g41 s LEU 333 Cb -0.12 -1.70 -0.03 0.00 0.02 0.00 0.00 46.19 44.37 1g41 s LEU 333 CO 0.03 0.33 0.57 0.42 0.02 0.00 0.00 176.35 177.73 1g41 s THR 334 N -0.85 4.87 0.75 5.49 -4.23 -1.26 -4.40 115.64 116.01 1g41 s THR 334 Ca 0.14 -0.48 -0.13 0.00 -1.18 0.00 0.00 61.69 60.04 1g41 s THR 334 Cb -0.11 -3.78 0.05 0.00 1.34 0.00 0.00 72.50 70.00 1g41 s THR 334 CO 0.03 -0.51 1.14 0.00 -0.54 0.00 0.00 174.62 174.74 1g41 s ALA 335 N -2.36 2.13 -0.02 3.99 0.00 -1.26 -4.87 121.76 119.38 1g41 s ALA 335 Ca 0.42 0.59 -0.03 0.00 0.00 0.00 0.00 51.96 52.94 1g41 s ALA 335 Cb -0.10 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 1g41 s ALA 335 CO 0.36 -1.84 0.18 -0.51 0.00 0.00 0.00 175.76 173.95 1g41 s LEU 336 N -5.51 4.37 0.42 0.00 1.43 -1.26 -5.09 118.68 113.04 1g41 s LEU 336 Ca 0.68 0.35 0.08 0.00 -1.03 0.00 0.00 54.13 54.21 1g41 s LEU 336 Cb -0.23 -2.57 0.01 0.00 0.03 0.00 0.00 46.19 43.43 1g41 s LEU 336 CO 0.49 0.27 0.57 -0.94 0.23 0.00 0.00 176.35 176.98 1g41 s SER 337 N -1.87 5.66 0.44 2.29 1.04 -1.26 -4.96 113.70 115.04 1g41 s SER 337 Ca 0.26 -0.40 0.10 0.00 0.48 0.00 0.00 55.95 56.40 1g41 s SER 337 Cb -0.13 -0.69 0.98 0.00 0.10 0.00 0.00 66.02 66.29 1g41 s SER 337 CO 0.18 -0.76 2.07 0.00 0.98 0.00 0.00 173.24 175.71 1g41 h ALA 338 N 0.63 1.82 -0.17 5.32 0.00 -1.98 0.46 119.26 125.34 1g41 h ALA 338 Ca -0.40 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 1g41 h ALA 338 Cb 1.28 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1g41 h ALA 338 CO 0.46 0.15 -0.31 0.00 0.00 0.00 0.00 179.25 179.55 1g41 h ALA 339 N 1.80 1.16 -0.31 0.00 0.00 -1.94 -1.27 119.26 118.71 1g41 h ALA 339 Ca 0.13 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 1g41 h ALA 339 Cb 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1g41 h ALA 339 CO -0.03 0.54 -0.29 -0.44 0.00 0.00 0.00 179.25 179.03 1g41 h ASP 340 N 0.29 0.79 -0.47 0.00 3.45 -1.35 -2.28 116.42 116.84 1g41 h ASP 340 Ca 0.04 -0.46 -0.01 0.00 0.43 0.00 0.00 57.03 57.03 1g41 h ASP 340 Cb 0.69 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 39.22 1g41 h ASP 340 CO 0.05 1.09 0.27 -0.26 -1.57 0.00 0.00 179.24 178.82 1g41 h PHE 341 N 0.50 0.65 -0.30 4.55 -1.00 -0.80 0.08 116.94 120.62 1g41 h PHE 341 Ca 0.05 -0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.82 1g41 h PHE 341 Cb 0.86 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 40.19 1g41 h PHE 341 CO 0.07 0.45 0.17 1.49 -1.61 0.00 0.00 178.31 178.88 1g41 h GLU 342 N 0.68 0.41 -0.20 1.51 4.81 -0.85 -1.40 114.58 119.54 1g41 h GLU 342 Ca 0.18 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.30 1g41 h GLU 342 Cb 0.01 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 1g41 h GLU 342 CO -0.03 0.35 -0.12 0.00 -0.73 0.00 0.00 179.01 178.49 1g41 h ARG 343 N 0.37 0.43 -0.74 1.92 3.08 -0.83 -3.15 114.38 115.46 1g41 h ARG 343 Ca 0.11 -0.20 0.11 0.00 0.07 0.00 0.00 59.98 60.07 1g41 h ARG 343 Cb 0.06 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.02 1g41 h ARG 343 CO -0.02 0.73 0.36 0.82 -1.07 0.00 0.00 179.97 180.79 1g41 h ILE 344 N 0.11 0.80 -0.47 2.04 2.04 -0.88 0.57 117.51 121.73 1g41 h ILE 344 Ca 0.04 -0.20 0.13 0.00 1.00 0.00 0.00 64.86 65.84 1g41 h ILE 344 Cb 0.62 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1g41 h ILE 344 CO 0.03 0.11 0.34 -0.07 0.00 0.00 0.00 178.15 178.56 1g41 h LEU 345 N 0.58 0.01 0.00 1.44 4.07 -1.21 -3.35 115.31 116.85 1g41 h LEU 345 Ca 0.38 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.34 1g41 h LEU 345 Cb 0.45 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.19 1g41 h LEU 345 CO -0.30 0.00 -0.59 0.35 -1.08 0.00 0.00 178.44 176.82 1g41 n THR 346 N -4.40 0.00 -0.08 0.22 -2.24 -0.54 -2.61 114.28 104.63 1g41 n THR 346 Ca 0.08 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.69 1g41 n THR 346 Cb 0.54 0.19 -0.12 0.00 -2.10 0.00 0.00 70.33 68.84 1g41 n THR 346 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1g41 h GLU 347 N 0.00 0.00 -6.79 -0.78 5.08 -0.04 -3.46 114.58 108.60 1g41 h GLU 347 Ca 0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 1g41 h GLU 347 Cb 0.07 0.00 0.17 0.00 0.50 0.00 0.00 28.75 29.49 1g41 h GLU 347 CO 0.00 0.95 0.01 -2.30 -1.00 0.00 0.00 179.01 176.67 1g41 n PRO 348 N -4.54 0.74 -1.94 2.33 -0.02 -1.26 -4.88 135.00 125.42 1g41 n PRO 348 Ca -0.19 0.29 -0.41 0.00 -2.02 0.00 0.00 63.50 61.17 1g41 n PRO 348 Cb 0.55 -2.08 -0.02 0.00 -0.02 0.00 0.00 33.50 31.93 1g41 n PRO 348 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1g41 s HIS 349 N -1.60 2.92 -1.09 6.00 3.76 -0.00 -2.18 115.29 123.10 1g41 s HIS 349 Ca 0.75 1.00 -0.05 0.00 -0.15 0.00 0.00 55.06 56.62 1g41 s HIS 349 Cb -0.41 -3.89 0.01 0.00 1.11 0.00 0.00 32.58 29.40 1g41 s HIS 349 CO 0.48 -2.87 0.93 0.00 -0.85 0.00 0.00 174.74 172.44 1g41 n ALA 350 N 2.02 -1.33 -1.17 -1.40 0.00 -1.26 -4.93 120.51 112.44 1g41 n ALA 350 Ca 0.06 0.19 -0.29 0.00 0.00 0.00 0.00 53.44 53.40 1g41 n ALA 350 Cb 0.40 -3.69 0.20 0.00 0.00 0.00 0.00 19.45 16.35 1g41 n ALA 350 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1g41 s SER 351 N -3.61 2.08 0.16 0.00 1.04 -0.93 -4.74 113.70 107.70 1g41 s SER 351 Ca 0.30 0.97 -0.11 0.00 0.48 0.00 0.00 55.95 57.59 1g41 s SER 351 Cb -0.13 -1.49 0.03 0.00 0.10 0.00 0.00 66.02 64.52 1g41 s SER 351 CO 0.61 -3.45 1.61 -0.07 0.98 0.00 0.00 173.24 172.92 1g41 h LEU 352 N -2.11 0.93 -0.49 2.42 3.38 -1.79 -0.40 115.31 117.25 1g41 h LEU 352 Ca -0.52 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.09 1g41 h LEU 352 Cb 1.32 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1g41 h LEU 352 CO 0.51 1.02 0.13 0.71 0.09 0.00 0.00 178.44 180.89 1g41 h THR 353 N 0.82 1.24 -0.65 0.22 1.35 -1.86 -0.72 112.91 113.30 1g41 h THR 353 Ca 0.15 -0.83 -0.06 0.00 -0.55 0.00 0.00 66.41 65.12 1g41 h THR 353 Cb 0.56 0.84 -0.03 0.00 -1.73 0.00 0.00 68.15 67.79 1g41 h THR 353 CO 0.03 0.30 0.18 -0.08 -0.25 0.00 0.00 175.52 175.70 1g41 h GLU 354 N 0.67 1.01 0.24 4.72 4.81 -1.76 -0.64 114.58 123.64 1g41 h GLU 354 Ca 0.15 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1g41 h GLU 354 Cb 0.32 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1g41 h GLU 354 CO 0.00 0.89 -0.11 1.96 -0.73 0.00 0.00 179.01 181.01 1g41 h GLN 355 N 0.97 -0.31 -0.49 1.92 4.20 -0.72 -1.85 115.11 118.84 1g41 h GLN 355 Ca 0.21 0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.94 1g41 h GLN 355 Cb 0.31 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 1g41 h GLN 355 CO -0.00 -0.08 0.30 1.88 -0.67 0.00 0.00 178.83 180.25 1g41 h TYR 356 N -0.49 0.63 -0.56 2.96 0.05 -0.99 -0.95 116.97 117.62 1g41 h TYR 356 Ca -0.03 0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.71 1g41 h TYR 356 Cb 0.37 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.88 1g41 h TYR 356 CO -0.01 0.42 0.16 -0.22 -1.05 0.00 0.00 178.16 177.45 1g41 h LYS 357 N 0.66 0.87 -0.16 4.88 3.64 -0.97 -1.73 116.57 123.76 1g41 h LYS 357 Ca 0.18 -0.20 -0.14 0.00 -1.27 0.00 0.00 60.65 59.22 1g41 h LYS 357 Cb -0.03 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1g41 h LYS 357 CO -0.03 0.80 -0.51 0.00 -2.27 0.00 0.00 179.45 177.44 1g41 h ALA 358 N 1.03 0.83 -0.24 5.00 0.00 -0.62 -2.38 119.26 122.88 1g41 h ALA 358 Ca 0.18 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1g41 h ALA 358 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1g41 h ALA 358 CO -0.00 0.67 -0.09 -0.07 0.00 0.00 0.00 179.25 179.76 1g41 h LEU 359 N 0.35 0.49 -1.19 0.00 -0.00 -0.98 -3.02 115.31 110.96 1g41 h LEU 359 Ca 0.01 -0.39 -0.08 0.00 -0.00 0.00 0.00 57.88 57.42 1g41 h LEU 359 Cb 1.01 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 41.52 1g41 h LEU 359 CO 0.09 0.77 -0.37 0.24 -0.00 0.00 0.00 178.44 179.17 1g41 h MET 360 N 0.21 0.06 -0.45 1.13 2.86 -1.33 -2.65 114.93 114.77 1g41 h MET 360 Ca 0.06 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.64 1g41 h MET 360 Cb 0.57 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 1g41 h MET 360 CO 0.03 0.43 0.13 0.00 1.06 0.00 0.00 176.91 178.55 1g41 h ALA 361 N 1.57 1.39 0.00 6.32 0.00 -1.18 0.08 119.26 127.44 1g41 h ALA 361 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1g41 h ALA 361 Cb 0.68 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1g41 h ALA 361 CO 0.05 0.45 0.00 1.79 0.00 0.00 0.00 179.25 181.54 1g41 h THR 362 N 0.64 0.00 -0.01 0.00 1.35 -1.35 0.28 112.91 113.83 1g41 h THR 362 Ca 0.15 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.87 1g41 h THR 362 Cb 0.21 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 67.48 1g41 h THR 362 CO -0.01 0.00 -0.59 1.21 -0.25 0.00 0.00 175.52 175.89 1g41 n GLU 363 N -2.49 0.54 -0.33 4.72 4.07 -0.10 -4.94 120.64 122.11 1g41 n GLU 363 Ca -0.00 -0.40 0.00 0.00 -0.06 0.00 0.00 57.16 56.70 1g41 n GLU 363 Cb 0.14 -1.49 0.00 0.00 -0.06 0.00 0.00 31.44 30.03 1g41 n GLU 363 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1g41 n GLY 364 N 1.44 0.82 3.47 8.31 0.00 0.09 -4.29 105.19 115.03 1g41 n GLY 364 Ca 0.08 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1g41 n GLY 364 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g41 s VAL 365 N -2.00 4.03 -0.37 1.61 1.01 -0.53 0.22 120.40 124.37 1g41 s VAL 365 Ca 0.00 -0.29 -0.13 0.00 0.00 0.00 0.00 61.98 61.56 1g41 s VAL 365 Cb 0.00 -2.82 0.01 0.00 0.00 0.00 0.00 36.38 33.57 1g41 s VAL 365 CO 0.00 0.43 0.24 0.21 0.00 0.00 0.00 175.10 175.99 1g41 s ASN 366 N 0.90 5.93 0.25 3.32 3.04 -0.07 -2.64 114.94 125.67 1g41 s ASN 366 Ca 0.01 -0.75 0.07 0.00 0.04 0.00 0.00 52.86 52.23 1g41 s ASN 366 Cb -0.14 -2.10 -0.04 0.00 -1.54 0.00 0.00 41.25 37.43 1g41 s ASN 366 CO 0.02 -0.35 0.20 0.27 -3.04 0.00 0.00 177.10 174.20 1g41 s ILE 367 N 1.65 4.47 -0.14 -5.21 -4.36 -1.26 0.25 121.20 116.60 1g41 s ILE 367 Ca 0.05 -1.38 -0.13 0.00 -0.26 0.00 0.00 60.65 58.92 1g41 s ILE 367 Cb -0.18 -3.41 0.04 0.00 1.25 0.00 0.00 42.46 40.15 1g41 s ILE 367 CO 0.09 -0.34 0.38 0.00 0.24 0.00 0.00 174.94 175.31 1g41 s ALA 368 N -2.12 -0.94 -0.21 2.27 0.00 -0.66 -4.91 121.76 115.20 1g41 s ALA 368 Ca 0.33 1.08 -0.07 0.00 0.00 0.00 0.00 51.96 53.30 1g41 s ALA 368 Cb -0.08 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 1g41 s ALA 368 CO 0.25 -0.18 0.06 -0.06 0.00 0.00 0.00 175.76 175.83 1g41 s PHE 369 N 0.23 3.16 0.85 0.00 0.40 -1.26 0.27 117.98 121.63 1g41 s PHE 369 Ca -0.00 -0.13 -0.12 0.00 -0.60 0.00 0.00 56.93 56.08 1g41 s PHE 369 Cb -0.03 -2.14 0.10 0.00 0.51 0.00 0.00 43.02 41.47 1g41 s PHE 369 CO 0.00 -0.06 1.10 0.95 0.70 0.00 0.00 175.22 177.91 1g41 s THR 370 N 0.88 2.79 0.15 0.64 -4.23 -0.50 -4.88 115.64 110.49 1g41 s THR 370 Ca 0.03 0.26 -0.16 0.00 -1.18 0.00 0.00 61.69 60.64 1g41 s THR 370 Cb -0.14 -2.91 0.03 0.00 1.34 0.00 0.00 72.50 70.82 1g41 s THR 370 CO 0.02 -0.33 1.74 0.74 -0.54 0.00 0.00 174.62 176.25 1g41 h THR 371 N -1.31 0.85 0.00 3.99 2.02 -1.98 -2.03 112.91 114.44 1g41 h THR 371 Ca -0.48 -0.07 -0.05 0.00 0.77 0.00 0.00 66.41 66.57 1g41 h THR 371 Cb 1.28 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1g41 h THR 371 CO 0.58 0.04 -0.25 -0.78 0.37 0.00 0.00 175.52 175.48 1g41 h ASP 372 N 0.21 0.00 -0.53 4.18 1.82 -1.96 -2.72 116.42 117.42 1g41 h ASP 372 Ca 0.16 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.75 1g41 h ASP 372 Cb 0.17 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.15 1g41 h ASP 372 CO -0.20 0.25 0.13 0.00 -1.61 0.00 0.00 179.24 177.81 1g41 h ALA 373 N 1.75 1.14 -0.38 -0.78 0.00 -1.66 0.53 119.26 119.86 1g41 h ALA 373 Ca -0.00 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 1g41 h ALA 373 Cb 0.85 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1g41 h ALA 373 CO 0.03 0.58 -0.26 0.28 0.00 0.00 0.00 179.25 179.88 1g41 h VAL 374 N 0.87 1.28 -0.90 0.00 2.07 -1.18 -1.20 116.25 117.19 1g41 h VAL 374 Ca 0.19 -1.42 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 1g41 h VAL 374 Cb 0.33 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 1g41 h VAL 374 CO 0.00 0.47 0.52 0.11 0.02 0.00 0.00 177.57 178.69 1g41 h LYS 375 N 0.65 1.23 -0.60 1.57 1.57 -1.19 -1.38 116.57 118.43 1g41 h LYS 375 Ca 0.07 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1g41 h LYS 375 Cb 0.84 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 1g41 h LYS 375 CO 0.07 0.88 0.22 0.87 -0.57 0.00 0.00 179.45 180.92 1g41 h LYS 376 N 1.25 0.92 -0.09 3.15 6.56 -0.68 0.19 116.57 127.86 1g41 h LYS 376 Ca 0.32 -0.18 -0.01 0.00 -1.06 0.00 0.00 60.65 59.72 1g41 h LYS 376 Cb -0.02 -0.14 -0.00 0.00 -0.57 0.00 0.00 32.23 31.50 1g41 h LYS 376 CO -0.06 0.80 0.03 0.82 -2.06 0.00 0.00 179.45 178.98 1g41 h ILE 377 N 0.84 1.17 -0.30 1.86 2.04 -0.78 -0.76 117.51 121.59 1g41 h ILE 377 Ca 0.20 -0.53 -0.05 0.00 1.00 0.00 0.00 64.86 65.48 1g41 h ILE 377 Cb 0.24 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 1g41 h ILE 377 CO -0.01 0.15 -0.04 0.00 0.00 0.00 0.00 178.15 178.25 1g41 h ALA 378 N 0.84 1.36 -0.50 1.87 0.00 -1.13 -1.88 119.26 119.83 1g41 h ALA 378 Ca 0.03 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 1g41 h ALA 378 Cb 0.22 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1g41 h ALA 378 CO -0.00 0.44 -0.15 1.49 0.00 0.00 0.00 179.25 181.02 1g41 h GLU 379 N 0.46 0.96 0.18 0.00 4.81 -0.41 -2.09 114.58 118.49 1g41 h GLU 379 Ca 0.10 -0.37 -0.01 0.00 -0.13 0.00 0.00 59.36 58.95 1g41 h GLU 379 Cb 0.37 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1g41 h GLU 379 CO 0.02 1.04 -0.09 0.00 -0.73 0.00 0.00 179.01 179.25 1g41 h ALA 380 N 0.97 -0.24 -0.01 2.92 0.00 -0.51 -0.95 119.26 121.44 1g41 h ALA 380 Ca 0.12 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1g41 h ALA 380 Cb 0.71 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1g41 h ALA 380 CO 0.05 -0.57 -0.20 0.00 0.00 0.00 0.00 179.25 178.53 1g41 h ALA 381 N 0.42 -0.25 -0.19 0.00 0.00 -1.33 -1.83 119.26 116.08 1g41 h ALA 381 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1g41 h ALA 381 Cb 0.29 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1g41 h ALA 381 CO 0.04 -0.69 0.13 0.35 0.00 0.00 0.00 179.25 179.08 1g41 h PHE 382 N -0.32 0.16 -0.27 0.00 3.57 -1.35 -2.28 116.94 116.46 1g41 h PHE 382 Ca 0.06 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.41 1g41 h PHE 382 Cb 0.40 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 1g41 h PHE 382 CO -0.25 0.09 -0.47 -0.09 -2.23 0.00 0.00 178.31 175.37 1g41 h ARG 383 N 0.17 0.71 -0.07 1.11 9.65 -0.36 -2.79 114.38 122.79 1g41 h ARG 383 Ca 0.08 -0.40 -0.20 0.00 -1.10 0.00 0.00 59.98 58.35 1g41 h ARG 383 Cb 0.11 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.72 1g41 h ARG 383 CO -0.01 1.02 -0.80 0.28 2.80 0.00 0.00 179.97 183.26 1g41 h VAL 384 N 0.56 1.36 -0.44 0.20 2.07 -0.94 -2.59 116.25 116.48 1g41 h VAL 384 Ca 0.03 -2.19 -0.07 0.00 0.82 0.00 0.00 66.70 65.29 1g41 h VAL 384 Cb 1.02 2.18 -0.02 0.00 -1.52 0.00 0.00 31.29 32.95 1g41 h VAL 384 CO 0.10 0.66 -0.01 0.78 0.02 0.00 0.00 177.57 179.13 1g41 h ASN 385 N 0.32 0.69 1.15 0.57 2.35 -1.41 -0.91 115.58 118.34 1g41 h ASN 385 Ca -0.05 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 1g41 h ASN 385 Cb 1.41 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.59 1g41 h ASN 385 CO 0.14 0.77 -0.44 -0.08 -1.65 0.00 0.00 177.43 176.17 1g41 h GLU 386 N 0.68 0.00 0.01 0.81 4.81 -1.51 -2.45 114.58 116.92 1g41 h GLU 386 Ca 0.13 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 59.05 1g41 h GLU 386 Cb 0.43 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.76 1g41 h GLU 386 CO 0.02 0.00 -1.93 1.63 -0.73 0.00 0.00 179.01 178.00 1g41 n LYS 387 N -2.30 0.66 0.00 1.92 5.02 -0.98 -4.95 118.16 117.53 1g41 n LYS 387 Ca 0.04 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 1g41 n LYS 387 Cb 0.46 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 1g41 n LYS 387 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1g41 n THR 388 N -3.00 0.00 -4.74 -0.18 -2.24 -0.36 -5.09 114.28 98.67 1g41 n THR 388 Ca -0.23 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.22 1g41 n THR 388 Cb 1.08 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 69.17 1g41 n THR 388 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1g41 s GLU 389 N 1.85 3.39 -0.52 -0.78 8.01 -1.25 -4.97 118.70 124.43 1g41 s GLU 389 Ca 0.00 -0.66 -0.28 0.00 0.01 0.00 0.00 54.97 54.04 1g41 s GLU 389 Cb 0.00 -2.66 0.03 0.00 -4.31 0.00 0.00 34.13 27.19 1g41 s GLU 389 CO 0.00 0.24 1.11 1.21 0.01 0.00 0.00 175.26 177.82 1g41 s ASN 390 N 0.30 6.52 -0.22 -0.19 3.84 -0.92 -4.40 114.94 119.88 1g41 s ASN 390 Ca -0.09 0.20 0.15 0.00 0.21 0.00 0.00 52.86 53.33 1g41 s ASN 390 Cb -0.16 -2.52 0.60 0.00 -0.55 0.00 0.00 41.25 38.62 1g41 s ASN 390 CO 0.05 -1.30 1.53 2.30 -2.79 0.00 0.00 177.10 176.89 1g41 n ILE 391 N 6.66 2.47 -3.98 -5.21 -5.35 -1.26 -4.83 119.36 107.87 1g41 n ILE 391 Ca 0.09 -1.88 0.00 0.00 -0.27 0.00 0.00 62.75 60.69 1g41 n ILE 391 Cb 0.49 -0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.11 1g41 n ILE 391 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1g41 n GLY 392 N -0.37 1.91 0.39 3.28 0.00 -1.24 -2.92 105.19 106.23 1g41 n GLY 392 Ca 0.26 -0.46 0.21 0.00 0.00 0.00 0.00 46.02 46.03 1g41 n GLY 392 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g41 h ALA 393 N -0.80 2.39 -0.55 4.61 0.00 -1.45 -1.55 119.26 121.92 1g41 h ALA 393 Ca 0.00 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.02 1g41 h ALA 393 Cb 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1g41 h ALA 393 CO 0.00 -0.68 0.38 0.00 0.00 0.00 0.00 179.25 178.96 1g41 h ARG 394 N 0.00 0.17 -0.15 0.00 3.08 -1.75 0.16 114.38 115.89 1g41 h ARG 394 Ca 0.24 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.33 1g41 h ARG 394 Cb 1.07 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.07 1g41 h ARG 394 CO -0.00 0.11 0.17 -0.09 -1.07 0.00 0.00 179.97 179.09 1g41 h ARG 395 N 0.17 0.00 0.00 0.04 9.65 -1.43 -0.20 114.38 122.62 1g41 h ARG 395 Ca 0.26 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 59.11 1g41 h ARG 395 Cb 0.81 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.38 1g41 h ARG 395 CO -0.04 0.00 -0.15 -0.07 2.80 0.00 0.00 179.97 182.50 1g41 h LEU 396 N 0.00 0.00 0.14 3.80 3.38 -0.87 -2.90 115.31 118.86 1g41 h LEU 396 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1g41 h LEU 396 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1g41 h LEU 396 CO -0.00 0.15 -0.07 0.45 0.09 0.00 0.00 178.44 179.07 1g41 h HIS 397 N 0.00 -0.17 -0.59 1.13 3.86 -1.17 -2.15 115.15 116.06 1g41 h HIS 397 Ca -0.00 -0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.14 1g41 h HIS 397 Cb 0.37 0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 1g41 h HIS 397 CO 0.00 0.18 0.13 1.79 0.86 0.00 0.00 177.93 180.89 1g41 h THR 398 N -0.54 1.25 -0.50 2.45 1.35 -1.67 -1.47 112.91 113.79 1g41 h THR 398 Ca -0.02 -0.93 -0.02 0.00 -0.55 0.00 0.00 66.41 64.89 1g41 h THR 398 Cb 0.42 0.71 -0.02 0.00 -1.73 0.00 0.00 68.15 67.53 1g41 h THR 398 CO 0.03 0.34 0.22 0.58 -0.25 0.00 0.00 175.52 176.44 1g41 h VAL 399 N 0.87 1.20 -0.57 6.82 2.07 -1.57 0.20 116.25 125.27 1g41 h VAL 399 Ca 0.18 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 1g41 h VAL 399 Cb 0.37 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1g41 h VAL 399 CO 0.00 0.23 0.24 0.24 0.02 0.00 0.00 177.57 178.31 1g41 h MET 400 N 0.67 0.84 -0.60 1.57 2.86 -1.26 -0.38 114.93 118.63 1g41 h MET 400 Ca 0.17 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 1g41 h MET 400 Cb 0.16 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 1g41 h MET 400 CO -0.02 0.71 0.26 0.93 1.06 0.00 0.00 176.91 179.86 1g41 h GLU 401 N 0.77 0.88 -0.83 1.72 4.39 -0.91 0.12 114.58 120.73 1g41 h GLU 401 Ca 0.19 -0.15 0.01 0.00 0.34 0.00 0.00 59.36 59.75 1g41 h GLU 401 Cb 0.18 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.64 1g41 h GLU 401 CO -0.02 0.73 0.55 -0.09 -1.16 0.00 0.00 179.01 179.02 1g41 h ARG 402 N 0.82 1.09 -0.43 2.33 9.65 -0.72 -0.23 114.38 126.89 1g41 h ARG 402 Ca 0.20 -0.07 -0.05 0.00 -1.10 0.00 0.00 59.98 58.97 1g41 h ARG 402 Cb 0.16 -0.25 -0.02 0.00 -1.39 0.00 0.00 29.97 28.48 1g41 h ARG 402 CO -0.02 0.72 0.09 1.25 2.80 0.00 0.00 179.97 184.81 1g41 h LEU 403 N 1.12 0.66 -1.21 3.80 5.85 -0.37 -3.17 115.31 121.99 1g41 h LEU 403 Ca 0.30 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1g41 h LEU 403 Cb -0.13 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.73 1g41 h LEU 403 CO -0.07 0.74 0.00 0.23 -0.34 0.00 0.00 178.44 179.00 1g41 n MET 404 N -4.51 1.80 -0.00 1.25 2.81 0.36 -4.54 117.12 114.27 1g41 n MET 404 Ca 0.00 -1.20 -0.07 0.00 -1.81 0.00 0.00 57.70 54.63 1g41 n MET 404 Cb 0.22 -1.42 -0.04 0.00 -0.71 0.00 0.00 33.22 31.27 1g41 n MET 404 CO 0.00 0.00 0.00 0.22 1.51 0.00 0.00 175.97 177.70 1g41 h ASP 405 N 2.51 -0.78 0.27 7.83 3.58 -1.01 0.20 116.42 129.01 1g41 h ASP 405 Ca 0.00 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.54 1g41 h ASP 405 Cb 0.55 0.30 -0.02 0.00 1.72 0.00 0.00 39.33 41.88 1g41 h ASP 405 CO 0.00 -0.22 -0.26 0.11 -2.88 0.00 0.00 179.24 175.99 1g41 h LYS 406 N -0.26 -0.54 -0.36 0.28 1.79 -1.83 -2.32 116.57 113.33 1g41 h LYS 406 Ca 0.01 0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.49 1g41 h LYS 406 Cb 0.31 0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.06 1g41 h LYS 406 CO -0.20 -0.36 0.10 0.97 -1.08 0.00 0.00 179.45 178.89 1g41 h ILE 407 N -0.56 1.16 -0.68 1.86 2.10 -1.85 -2.17 117.51 117.37 1g41 h ILE 407 Ca -0.01 -0.56 -0.04 0.00 1.08 0.00 0.00 64.86 65.33 1g41 h ILE 407 Cb 0.51 0.78 -0.03 0.00 -1.09 0.00 0.00 36.82 36.99 1g41 h ILE 407 CO -0.05 0.20 0.26 -1.28 -1.08 0.00 0.00 178.15 176.20 1g41 h SER 408 N 0.52 0.93 0.15 2.19 0.87 -0.66 0.69 113.55 118.23 1g41 h SER 408 Ca 0.12 -0.14 -0.23 0.00 -1.23 0.00 0.00 61.79 60.32 1g41 h SER 408 Cb 0.18 -0.24 0.01 0.00 -0.44 0.00 0.00 62.40 61.91 1g41 h SER 408 CO -0.01 0.84 -0.90 0.15 -0.53 0.00 0.00 176.83 176.38 1g41 h PHE 409 N 0.99 0.79 -0.56 2.24 3.57 -0.87 -3.34 116.94 119.76 1g41 h PHE 409 Ca 0.23 -0.40 0.00 0.00 3.53 0.00 0.00 57.97 61.33 1g41 h PHE 409 Cb 0.21 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.84 1g41 h PHE 409 CO 0.02 1.22 0.00 -1.13 -2.23 0.00 0.00 178.31 176.18 1g41 n SER 410 N -3.82 3.53 -0.28 0.41 3.41 -0.87 -4.52 113.62 111.48 1g41 n SER 410 Ca -0.07 -1.99 0.13 0.00 -0.26 0.00 0.00 58.87 56.68 1g41 n SER 410 Cb 0.81 -0.37 0.39 0.00 -0.26 0.00 0.00 64.21 64.77 1g41 n SER 410 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g41 h ALA 411 N 3.48 1.86 -0.15 7.33 0.00 -0.99 0.11 119.26 130.90 1g41 h ALA 411 Ca 0.00 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1g41 h ALA 411 Cb 0.89 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1g41 h ALA 411 CO 0.00 -0.12 0.17 0.77 0.00 0.00 0.00 179.25 180.07 1g41 h SER 412 N 0.67 0.00 -0.64 0.00 0.02 -1.84 0.05 113.55 111.80 1g41 h SER 412 Ca 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 1g41 h SER 412 Cb 0.80 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.34 1g41 h SER 412 CO -0.22 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 175.94 1g41 n ASP 413 N -3.79 3.78 -0.59 3.07 8.00 0.39 -4.25 116.55 123.17 1g41 n ASP 413 Ca 0.01 -2.11 0.06 0.00 0.71 0.00 0.00 54.79 53.45 1g41 n ASP 413 Cb 0.29 -0.47 0.11 0.00 -0.02 0.00 0.00 41.12 41.02 1g41 n ASP 413 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1g41 n MET 414 N 1.32 0.86 -1.65 -1.24 2.81 0.00 -5.07 117.12 114.16 1g41 n MET 414 Ca 0.23 -2.35 -0.49 0.00 -1.81 0.00 0.00 57.70 53.27 1g41 n MET 414 Cb 0.63 -1.04 -0.05 0.00 -0.71 0.00 0.00 33.22 32.05 1g41 n MET 414 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1g41 n ASN 415 N -0.68 2.62 0.00 7.83 4.05 -1.23 -1.19 115.26 126.67 1g41 n ASN 415 Ca 0.12 1.08 0.00 0.00 0.45 0.00 0.00 54.58 56.23 1g41 n ASN 415 Cb 0.77 -1.33 0.00 0.00 1.23 0.00 0.00 39.78 40.44 1g41 n ASN 415 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1g41 n GLY 416 N 3.26 0.60 3.91 8.20 0.00 0.13 -4.98 105.19 116.30 1g41 n GLY 416 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1g41 n GLY 416 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g41 s GLN 417 N -0.80 3.60 -0.16 1.61 -0.21 -0.33 -4.96 119.66 118.40 1g41 s GLN 417 Ca 0.00 -0.14 -0.05 0.00 0.02 0.00 0.00 55.36 55.19 1g41 s GLN 417 Cb 0.00 -2.82 -0.03 0.00 1.00 0.00 0.00 33.01 31.16 1g41 s GLN 417 CO 0.00 0.42 -0.01 0.99 -2.12 0.00 0.00 175.29 174.58 1g41 s THR 418 N -1.76 4.16 -0.19 -0.19 2.01 -1.26 -0.89 115.64 117.53 1g41 s THR 418 Ca 0.41 -0.26 -0.01 0.00 0.31 0.00 0.00 61.69 62.14 1g41 s THR 418 Cb -0.12 -2.84 0.01 0.00 0.01 0.00 0.00 72.50 69.56 1g41 s THR 418 CO 0.26 0.48 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.84 1g41 s VAL 419 N 0.38 2.57 -0.32 3.82 1.01 0.14 -4.95 120.40 123.04 1g41 s VAL 419 Ca -0.02 -0.77 -0.16 0.00 0.00 0.00 0.00 61.98 61.02 1g41 s VAL 419 Cb -0.14 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 1g41 s VAL 419 CO 0.02 0.50 0.44 0.20 0.00 0.00 0.00 175.10 176.26 1g41 s ASN 420 N 1.28 6.27 -0.54 3.32 0.01 -1.26 -1.65 114.94 122.37 1g41 s ASN 420 Ca 0.04 0.03 -0.19 0.00 -0.71 0.00 0.00 52.86 52.03 1g41 s ASN 420 Cb -0.14 -2.23 0.07 0.00 0.41 0.00 0.00 41.25 39.36 1g41 s ASN 420 CO -0.08 -0.35 0.67 -0.63 -1.51 0.00 0.00 177.10 175.20 1g41 s ILE 421 N 2.20 4.83 0.51 0.60 1.01 0.14 -4.91 121.20 125.58 1g41 s ILE 421 Ca 0.16 -0.63 0.04 0.00 0.00 0.00 0.00 60.65 60.22 1g41 s ILE 421 Cb -0.16 -4.38 0.04 0.00 0.01 0.00 0.00 42.46 37.97 1g41 s ILE 421 CO 0.12 -0.94 0.35 -0.90 0.00 0.00 0.00 174.94 173.57 1g41 n ASP 422 N 6.30 2.70 -0.24 3.58 3.85 -1.26 -1.41 116.55 130.07 1g41 n ASP 422 Ca -0.07 -2.79 0.05 0.00 -0.71 0.00 0.00 54.79 51.27 1g41 n ASP 422 Cb 0.44 -0.01 0.17 0.00 -1.35 0.00 0.00 41.12 40.38 1g41 n ASP 422 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1g41 h ALA 423 N 0.73 0.93 -0.76 2.12 0.00 -1.90 -0.61 119.26 119.77 1g41 h ALA 423 Ca -0.33 0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.77 1g41 h ALA 423 Cb 1.19 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 19.14 1g41 h ALA 423 CO 0.52 -0.32 0.49 0.00 0.00 0.00 0.00 179.25 179.94 1g41 h ALA 424 N 1.59 0.99 -0.59 0.00 0.00 -1.98 -1.08 119.26 118.18 1g41 h ALA 424 Ca 0.40 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 1g41 h ALA 424 Cb 0.67 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1g41 h ALA 424 CO -0.49 0.30 0.30 -0.92 0.00 0.00 0.00 179.25 178.44 1g41 h TYR 425 N 0.96 0.84 -0.40 0.00 5.03 -1.49 -1.24 116.97 120.67 1g41 h TYR 425 Ca 0.30 -0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.54 1g41 h TYR 425 Cb -0.01 -0.26 -0.02 0.00 1.55 0.00 0.00 36.73 37.99 1g41 h TYR 425 CO -0.03 0.63 0.11 0.28 -1.32 0.00 0.00 178.16 177.83 1g41 h VAL 426 N 0.81 1.22 -0.32 1.81 2.07 -0.84 -0.32 116.25 120.69 1g41 h VAL 426 Ca 0.21 -0.75 -0.07 0.00 0.82 0.00 0.00 66.70 66.90 1g41 h VAL 426 Cb 0.09 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1g41 h VAL 426 CO -0.03 0.26 -0.11 0.00 0.02 0.00 0.00 177.57 177.72 1g41 h ALA 427 N 0.96 1.23 0.47 1.67 0.00 -1.11 -1.10 119.26 121.37 1g41 h ALA 427 Ca 0.13 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1g41 h ALA 427 Cb 0.29 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1g41 h ALA 427 CO -0.00 0.50 -0.22 0.22 0.00 0.00 0.00 179.25 179.75 1g41 h ASP 428 N 0.49 -0.53 -0.85 0.00 -0.00 -0.87 -1.64 116.42 113.03 1g41 h ASP 428 Ca 0.09 -0.09 0.08 0.00 -0.00 0.00 0.00 57.03 57.12 1g41 h ASP 428 Cb 0.49 0.14 -0.06 0.00 -0.00 0.00 0.00 39.33 39.90 1g41 h ASP 428 CO 0.03 -0.17 0.55 0.00 -0.00 0.00 0.00 179.24 179.65 1g41 h ALA 429 N -0.61 1.64 0.05 -0.78 0.00 -0.98 -2.77 119.26 115.80 1g41 h ALA 429 Ca -0.06 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.59 1g41 h ALA 429 Cb 0.59 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1g41 h ALA 429 CO 0.11 0.21 -1.12 -0.07 0.00 0.00 0.00 179.25 178.38 1g41 h LEU 430 N 0.87 0.18 0.00 0.00 3.38 -1.21 -3.45 115.31 115.08 1g41 h LEU 430 Ca 0.38 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1g41 h LEU 430 Cb 0.33 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1g41 h LEU 430 CO -0.15 1.15 0.00 0.61 0.09 0.00 0.00 178.44 180.14 1g41 n GLY 431 N 1.43 3.43 0.84 0.83 0.00 -0.62 -2.20 105.19 108.89 1g41 n GLY 431 Ca -0.04 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.01 1g41 n GLY 431 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1g41 n GLU 432 N 14.00 2.12 0.07 1.61 -0.58 -1.26 -4.62 120.64 131.97 1g41 n GLU 432 Ca 0.00 -1.67 -0.12 0.00 -0.42 0.00 0.00 57.16 54.96 1g41 n GLU 432 Cb 0.00 -1.46 -0.05 0.00 -0.57 0.00 0.00 31.44 29.36 1g41 n GLU 432 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1g41 h VAL 433 N 3.58 0.39 -0.45 2.62 2.07 -1.77 -2.59 116.25 120.11 1g41 h VAL 433 Ca 0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 1g41 h VAL 433 Cb 0.78 0.39 -0.09 0.00 -1.52 0.00 0.00 31.29 30.85 1g41 h VAL 433 CO 0.00 0.00 -0.13 0.58 0.02 0.00 0.00 177.57 178.04 1g41 h VAL 434 N -0.42 0.52 0.00 2.57 2.07 -1.82 -2.82 116.25 116.34 1g41 h VAL 434 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1g41 h VAL 434 Cb 0.50 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1g41 h VAL 434 CO -0.22 0.00 -0.10 -0.62 0.02 0.00 0.00 177.57 176.65 1g41 n GLU 435 N -5.35 0.20 -3.57 1.57 -0.58 -1.20 -4.64 120.64 107.08 1g41 n GLU 435 Ca 0.03 0.15 -0.40 0.00 -0.42 0.00 0.00 57.16 56.52 1g41 n GLU 435 Cb 0.25 -1.72 -0.09 0.00 -0.57 0.00 0.00 31.44 29.32 1g41 n GLU 435 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1g41 s ASN 436 N -4.13 5.66 0.40 1.62 3.04 -0.98 -4.94 114.94 115.61 1g41 s ASN 436 Ca 0.11 -1.91 0.16 0.00 0.04 0.00 0.00 52.86 51.25 1g41 s ASN 436 Cb 0.14 -1.99 1.04 0.00 -1.54 0.00 0.00 41.25 38.90 1g41 s ASN 436 CO 0.60 -0.68 1.85 1.05 -3.04 0.00 0.00 177.10 176.88 1g41 h GLU 437 N 8.41 0.44 -0.45 0.43 4.11 -1.82 0.36 114.58 126.06 1g41 h GLU 437 Ca -0.20 -0.03 0.05 0.00 0.07 0.00 0.00 59.36 59.25 1g41 h GLU 437 Cb 1.07 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 1g41 h GLU 437 CO 0.84 0.29 0.30 -0.44 0.07 0.00 0.00 179.01 180.08 1g41 h ASP 438 N 0.45 0.35 0.04 3.06 3.45 -1.92 -1.16 116.42 120.69 1g41 h ASP 438 Ca 0.48 -0.00 -0.27 0.00 0.43 0.00 0.00 57.03 57.67 1g41 h ASP 438 Cb 1.14 -0.08 -0.03 0.00 -0.56 0.00 0.00 39.33 39.81 1g41 h ASP 438 CO -0.20 0.23 -1.48 -0.07 -1.57 0.00 0.00 179.24 176.16 1g41 h LEU 439 N 0.40 0.13 -1.68 1.55 3.38 -0.73 -3.40 115.31 114.97 1g41 h LEU 439 Ca 0.19 -0.64 0.05 0.00 0.09 0.00 0.00 57.88 57.57 1g41 h LEU 439 Cb 0.26 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1g41 h LEU 439 CO -0.05 1.60 0.30 0.77 0.09 0.00 0.00 178.44 181.15 1g41 h SER 440 N -0.68 0.35 0.42 -0.43 4.64 -0.56 -0.65 113.55 116.64 1g41 h SER 440 Ca -0.37 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1g41 h SER 440 Cb 1.52 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.54 1g41 h SER 440 CO -0.12 0.23 0.00 0.54 -0.87 0.00 0.00 176.83 176.61 1g41 n ARG 441 N -4.48 0.32 -0.07 4.77 1.74 -0.45 -1.18 116.66 117.32 1g41 n ARG 441 Ca 0.06 0.07 -0.15 0.00 -0.77 0.00 0.00 57.85 57.06 1g41 n ARG 441 Cb 0.22 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.11 1g41 n ARG 441 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1g41 n PHE 442 N -1.28 0.00 0.11 -1.55 3.72 -0.62 -4.81 117.46 113.02 1g41 n PHE 442 Ca 0.11 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.30 1g41 n PHE 442 Cb 0.18 -0.52 -0.13 0.00 -0.94 0.00 0.00 39.48 38.07 1g41 n PHE 442 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1g41 h ILE 443 N -0.58 1.33 -0.01 4.37 2.04 -1.21 -3.52 117.51 119.92 1g41 h ILE 443 Ca -0.32 -2.62 0.00 0.00 1.00 0.00 0.00 64.86 62.92 1g41 h ILE 443 Cb 1.19 2.80 0.00 0.00 -0.74 0.00 0.00 36.82 40.07 1g41 h ILE 443 CO -0.19 0.79 0.00 0.18 0.00 0.00 0.00 178.15 178.92