#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m49 n HIS 3 N 0.00 1.16 -1.55 0.66 -0.00 -1.26 -4.80 115.22 109.43 3m49 n HIS 3 Ca 0.00 -0.57 -0.32 0.00 -0.00 0.00 0.00 57.72 56.83 3m49 n HIS 3 Cb 0.00 -0.14 0.06 0.00 -0.00 0.00 0.00 29.99 29.91 3m49 n HIS 3 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 3m49 s SER 4 N -1.00 5.03 0.39 0.41 1.04 -1.26 -4.89 113.70 113.42 3m49 s SER 4 Ca 0.47 1.80 0.08 0.00 0.48 0.00 0.00 55.95 58.78 3m49 s SER 4 Cb 0.28 -2.52 0.80 0.00 0.10 0.00 0.00 66.02 64.68 3m49 s SER 4 CO 0.26 -1.68 1.97 -0.29 0.98 0.00 0.00 173.24 174.48 3m49 h ILE 5 N -0.57 1.15 -0.39 -1.02 6.09 -1.99 -1.84 117.51 118.94 3m49 h ILE 5 Ca -0.45 -0.54 -0.00 0.00 -1.37 0.00 0.00 64.86 62.50 3m49 h ILE 5 Cb 1.23 0.92 -0.02 0.00 0.47 0.00 0.00 36.82 39.41 3m49 h ILE 5 CO 0.54 0.19 0.23 -0.33 -3.07 0.00 0.00 178.15 175.71 3m49 h GLU 6 N 0.38 0.54 -0.48 2.19 3.07 -1.99 0.16 114.58 118.44 3m49 h GLU 6 Ca 0.09 -0.05 -0.09 0.00 -0.50 0.00 0.00 59.36 58.80 3m49 h GLU 6 Cb 0.20 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.98 3m49 h GLU 6 CO 0.00 0.41 -0.08 0.37 -1.40 0.00 0.00 179.01 178.32 3m49 h GLN 7 N 0.51 0.85 -0.31 2.33 5.75 -1.81 -1.30 115.11 121.13 3m49 h GLN 7 Ca 0.14 -0.28 -0.03 0.00 -0.15 0.00 0.00 58.65 58.33 3m49 h GLN 7 Cb 0.02 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 3m49 h GLN 7 CO -0.03 0.90 0.07 1.25 -2.65 0.00 0.00 178.83 178.37 3m49 h LEU 8 N 0.77 0.48 -0.59 -2.39 5.85 -0.99 -0.07 115.31 118.37 3m49 h LEU 8 Ca 0.13 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.65 3m49 h LEU 8 Cb 0.57 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 3m49 h LEU 8 CO 0.04 0.60 0.34 0.28 -0.34 0.00 0.00 178.44 179.35 3m49 h SER 9 N 0.34 0.51 -0.43 1.25 0.02 -0.79 0.69 113.55 115.14 3m49 h SER 9 Ca 0.10 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 3m49 h SER 9 Cb 0.31 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 3m49 h SER 9 CO 0.00 0.35 0.19 0.40 -1.14 0.00 0.00 176.83 176.63 3m49 h ILE 10 N 0.64 1.19 0.00 3.27 2.04 -1.03 -1.12 117.51 122.50 3m49 h ILE 10 Ca 0.25 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 3m49 h ILE 10 Cb 0.11 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 3m49 h ILE 10 CO -0.14 0.22 -0.17 0.78 0.00 0.00 0.00 178.15 178.84 3m49 h ASN 11 N 0.55 0.00 -0.20 1.72 2.35 -0.63 -2.03 115.58 117.33 3m49 h ASN 11 Ca 0.15 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.70 3m49 h ASN 11 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 3m49 h ASN 11 CO -0.01 0.17 -0.64 0.74 -1.65 0.00 0.00 177.43 176.03 3m49 h THR 12 N 0.00 1.28 -0.42 2.81 2.02 -0.32 -0.27 112.91 118.00 3m49 h THR 12 Ca -0.00 -1.84 0.02 0.00 0.77 0.00 0.00 66.41 65.35 3m49 h THR 12 Cb 0.65 1.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.82 3m49 h THR 12 CO 0.02 0.59 0.26 0.40 0.37 0.00 0.00 175.52 177.16 3m49 h ILE 13 N 0.60 1.06 0.35 3.11 2.04 -0.89 0.27 117.51 124.06 3m49 h ILE 13 Ca -0.01 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 3m49 h ILE 13 Cb 1.26 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 3m49 h ILE 13 CO 0.14 0.10 -0.17 0.03 0.00 0.00 0.00 178.15 178.24 3m49 h ARG 14 N 0.52 -0.45 -0.33 2.37 3.08 -1.25 -1.76 114.38 116.57 3m49 h ARG 14 Ca 0.17 0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.19 3m49 h ARG 14 Cb -0.01 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 3m49 h ARG 14 CO -0.07 -0.23 -0.03 1.79 -1.07 0.00 0.00 179.97 180.36 3m49 h THR 15 N -0.58 1.21 -0.46 2.04 1.35 -1.00 -0.28 112.91 115.18 3m49 h THR 15 Ca -0.05 -0.84 -0.05 0.00 -0.55 0.00 0.00 66.41 64.92 3m49 h THR 15 Cb 0.43 0.99 -0.02 0.00 -1.73 0.00 0.00 68.15 67.83 3m49 h THR 15 CO 0.08 0.29 0.09 -0.07 -0.25 0.00 0.00 175.52 175.66 3m49 h LEU 16 N 0.49 0.72 -0.13 3.87 3.38 -0.91 -0.04 115.31 122.70 3m49 h LEU 16 Ca 0.10 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3m49 h LEU 16 Cb 0.37 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3m49 h LEU 16 CO 0.02 0.78 0.07 0.28 0.09 0.00 0.00 178.44 179.68 3m49 h SER 17 N 0.63 0.15 -0.14 -0.43 0.02 -0.96 -1.03 113.55 111.80 3m49 h SER 17 Ca 0.14 -0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.04 3m49 h SER 17 Cb 0.36 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 3m49 h SER 17 CO 0.01 0.18 0.03 0.40 -1.14 0.00 0.00 176.83 176.31 3m49 h ILE 18 N 0.12 0.95 -0.52 3.27 2.04 -0.98 -2.25 117.51 120.13 3m49 h ILE 18 Ca 0.04 -0.03 -0.05 0.00 1.00 0.00 0.00 64.86 65.82 3m49 h ILE 18 Cb 0.06 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 3m49 h ILE 18 CO -0.01 0.02 0.12 0.44 0.00 0.00 0.00 178.15 178.72 3m49 h ASP 19 N 0.09 0.75 -0.26 1.72 3.32 -0.82 -0.24 116.42 120.98 3m49 h ASP 19 Ca 0.06 -0.14 -0.10 0.00 0.02 0.00 0.00 57.03 56.88 3m49 h ASP 19 Cb 0.05 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 3m49 h ASP 19 CO -0.07 0.75 -0.17 0.00 -1.72 0.00 0.00 179.24 178.02 3m49 h ALA 20 N 1.35 0.99 -0.25 3.45 0.00 -1.00 -1.43 119.26 122.36 3m49 h ALA 20 Ca 0.17 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.59 3m49 h ALA 20 Cb 0.30 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3m49 h ALA 20 CO -0.00 0.60 -0.43 0.82 0.00 0.00 0.00 179.25 180.24 3m49 h ILE 21 N 0.63 1.30 -0.37 0.00 2.04 -1.05 -1.28 117.51 118.79 3m49 h ILE 21 Ca 0.10 -1.63 0.05 0.00 1.00 0.00 0.00 64.86 64.38 3m49 h ILE 21 Cb 0.65 1.72 -0.05 0.00 -0.74 0.00 0.00 36.82 38.40 3m49 h ILE 21 CO 0.05 0.52 0.09 -0.33 0.00 0.00 0.00 178.15 178.48 3m49 h GLU 22 N 0.47 0.22 -0.38 2.37 4.39 -0.87 0.10 114.58 120.88 3m49 h GLU 22 Ca 0.02 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 3m49 h GLU 22 Cb 1.03 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.62 3m49 h GLU 22 CO 0.10 0.14 -0.13 -0.22 -1.16 0.00 0.00 179.01 177.74 3m49 h LYS 23 N 0.22 0.75 0.00 2.33 3.64 -1.20 -2.22 116.57 120.10 3m49 h LYS 23 Ca 0.17 -0.31 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 3m49 h LYS 23 Cb 0.19 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3m49 h LYS 23 CO -0.21 0.92 -0.07 0.00 -2.27 0.00 0.00 179.45 177.81 3m49 h ALA 24 N 0.82 1.09 -5.46 5.00 0.00 -1.11 -3.47 119.26 116.13 3m49 h ALA 24 Ca 0.09 -0.07 -0.41 0.00 0.00 0.00 0.00 54.91 54.52 3m49 h ALA 24 Cb 0.66 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3m49 h ALA 24 CO 0.04 0.09 -0.63 -1.71 0.00 0.00 0.00 179.25 177.05 3m49 n ASN 25 N -3.31 -4.71 -3.63 0.00 5.15 0.33 -4.96 115.26 104.12 3m49 n ASN 25 Ca -0.01 -0.48 -0.10 0.00 -0.60 0.00 0.00 54.58 53.39 3m49 n ASN 25 Cb 0.26 -3.82 -0.07 0.00 -0.53 0.00 0.00 39.78 35.62 3m49 n ASN 25 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3m49 s SER 26 N -2.89 -0.49 0.00 1.20 0.15 -1.07 -4.85 113.70 105.75 3m49 s SER 26 Ca 0.46 0.94 0.00 0.00 0.70 0.00 0.00 55.95 58.05 3m49 s SER 26 Cb -0.23 0.95 0.00 0.00 -1.71 0.00 0.00 66.02 65.03 3m49 s SER 26 CO 0.57 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.44 3m49 n GLY 27 N 2.22 0.73 2.82 9.45 0.00 -1.26 -4.64 105.19 114.50 3m49 n GLY 27 Ca -0.13 -2.10 -0.30 0.00 0.00 0.00 0.00 46.02 43.50 3m49 n GLY 27 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3m49 s HIS 28 N -1.08 2.37 -0.21 1.61 3.76 -1.26 -2.62 115.29 117.86 3m49 s HIS 28 Ca 0.00 -2.25 0.20 0.00 -0.15 0.00 0.00 55.06 52.86 3m49 s HIS 28 Cb 0.00 -2.12 -0.02 0.00 1.11 0.00 0.00 32.58 31.55 3m49 s HIS 28 CO 0.00 -0.88 1.02 -1.00 -0.85 0.00 0.00 174.74 173.04 3m49 h PRO 29 N 7.67 0.00 0.00 8.40 0.13 -1.67 -3.40 132.00 143.13 3m49 h PRO 29 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 3m49 h PRO 29 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 3m49 h PRO 29 CO 0.50 0.11 0.00 0.41 -0.23 0.00 0.00 178.00 178.79 3m49 n GLY 30 N 1.25 0.00 0.45 1.56 0.00 0.18 -4.70 105.19 103.93 3m49 n GLY 30 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3m49 n GLY 30 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3m49 n PRO 32 N 0.27 -0.91 0.00 1.61 -0.02 -1.26 -1.31 135.00 133.38 3m49 n PRO 32 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3m49 n PRO 32 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3m49 n PRO 32 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3m49 n GLY 34 N 0.00 0.00 0.31 -1.23 0.00 -1.25 -1.60 105.19 101.42 3m49 n GLY 34 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3m49 n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m49 n ALA 35 N 0.00 3.52 -0.26 4.61 0.00 -1.26 -4.46 120.51 122.66 3m49 n ALA 35 Ca 0.00 -0.53 0.04 0.00 0.00 0.00 0.00 53.44 52.95 3m49 n ALA 35 Cb 0.00 -0.94 0.17 0.00 0.00 0.00 0.00 19.45 18.68 3m49 n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3m49 h ALA 36 N 3.64 1.07 0.00 0.00 0.00 -1.67 -1.91 119.26 120.39 3m49 h ALA 36 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3m49 h ALA 36 Cb 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3m49 h ALA 36 CO 0.00 -0.09 0.00 -2.30 0.00 0.00 0.00 179.25 176.86 3m49 n PRO 37 N -4.90 0.16 0.00 0.00 -0.02 -1.26 -0.71 135.00 128.27 3m49 n PRO 37 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 3m49 n PRO 37 Cb 0.34 -1.17 0.00 0.00 -0.02 0.00 0.00 33.50 32.65 3m49 n PRO 37 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3m49 n ALA 39 N 0.56 0.00 -0.24 3.55 0.00 -0.72 -1.61 120.51 122.05 3m49 n ALA 39 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 3m49 n ALA 39 Cb 0.05 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.64 3m49 n ALA 39 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3m49 h TYR 40 N 0.00 0.57 0.02 0.00 3.20 -1.16 0.80 116.97 120.39 3m49 h TYR 40 Ca 0.00 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 3m49 h TYR 40 Cb 0.00 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.12 3m49 h TYR 40 CO 0.00 0.18 -0.01 1.15 -1.64 0.00 0.00 178.16 177.84 3m49 h THR 41 N 0.54 1.13 -0.18 1.81 2.02 -1.54 -0.99 112.91 115.69 3m49 h THR 41 Ca 0.35 -0.45 0.03 0.00 0.77 0.00 0.00 66.41 67.11 3m49 h THR 41 Cb 0.41 1.44 -0.03 0.00 -1.74 0.00 0.00 68.15 68.23 3m49 h THR 41 CO -0.30 0.12 0.01 0.25 0.37 0.00 0.00 175.52 175.97 3m49 h LEU 42 N -0.22 -0.05 -0.42 2.58 5.85 -1.78 -0.40 115.31 120.87 3m49 h LEU 42 Ca -0.00 0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 3m49 h LEU 42 Cb 0.21 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3m49 h LEU 42 CO 0.00 0.00 -0.11 -0.25 -0.34 0.00 0.00 178.44 177.75 3m49 h TRP 43 N 0.07 0.93 0.00 1.25 2.91 -0.64 -2.47 115.95 117.99 3m49 h TRP 43 Ca 0.08 -0.20 0.00 0.00 1.13 0.00 0.00 58.89 59.90 3m49 h TRP 43 Cb 0.10 -0.23 0.00 0.00 -0.51 0.00 0.00 29.16 28.52 3m49 h TRP 43 CO -0.16 0.94 -1.58 0.25 -1.03 0.00 0.00 178.44 176.86 3m49 n THR 44 N -4.29 0.05 0.11 2.65 -2.24 -0.39 -4.58 114.28 105.58 3m49 n THR 44 Ca -0.01 -0.35 0.02 0.00 -2.27 0.00 0.00 64.05 61.44 3m49 n THR 44 Cb 0.38 0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.84 3m49 n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3m49 n GLN 45 N -2.06 3.71 -2.51 -0.78 6.02 -0.16 -4.71 117.38 116.88 3m49 n GLN 45 Ca -0.01 -0.01 -0.18 0.00 -0.01 0.00 0.00 57.00 56.79 3m49 n GLN 45 Cb 0.49 -0.83 0.02 0.00 1.02 0.00 0.00 30.24 30.95 3m49 n GLN 45 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3m49 n PHE 46 N -1.29 2.33 -3.29 1.08 3.72 -0.93 -5.03 117.46 114.05 3m49 n PHE 46 Ca 0.00 -2.76 -0.03 0.00 -0.05 0.00 0.00 57.45 54.61 3m49 n PHE 46 Cb 0.07 -0.23 -0.05 0.00 -0.94 0.00 0.00 39.48 38.33 3m49 n PHE 46 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 3m49 s LYS 48 N -3.45 0.45 -0.01 -1.08 2.20 -1.26 -5.05 119.74 111.54 3m49 s LYS 48 Ca 0.39 0.80 -0.27 0.00 -0.36 0.00 0.00 55.97 56.53 3m49 s LYS 48 Cb 0.41 0.06 0.06 0.00 -1.51 0.00 0.00 37.83 36.85 3m49 s LYS 48 CO -0.06 -0.60 0.60 -3.38 -0.36 0.00 0.00 175.35 171.55 3m49 s HIS 49 N 2.70 -0.55 -0.32 4.03 -3.43 -1.26 -0.69 115.29 115.77 3m49 s HIS 49 Ca 0.15 0.84 0.04 0.00 -0.80 0.00 0.00 55.06 55.28 3m49 s HIS 49 Cb -0.15 0.37 0.09 0.00 -1.43 0.00 0.00 32.58 31.46 3m49 s HIS 49 CO -0.18 -0.61 0.01 1.21 -2.00 0.00 0.00 174.74 173.18 3m49 s ASN 50 N -1.46 4.65 0.55 7.38 3.04 -1.26 -3.84 114.94 123.99 3m49 s ASN 50 Ca -0.09 -1.94 0.27 0.00 0.04 0.00 0.00 52.86 51.13 3m49 s ASN 50 Cb -0.01 -1.58 1.46 0.00 -1.54 0.00 0.00 41.25 39.59 3m49 s ASN 50 CO 0.05 -0.33 1.98 -0.65 -3.04 0.00 0.00 177.10 175.11 3m49 h PRO 51 N 7.67 0.00 0.00 0.43 0.11 -1.87 0.21 132.00 138.55 3m49 h PRO 51 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 3m49 h PRO 51 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3m49 h PRO 51 CO 0.50 0.00 -0.08 0.09 -0.21 0.00 0.00 178.00 178.30 3m49 n ASN 52 N -4.14 0.64 -3.30 -2.05 3.02 -1.26 -4.20 115.26 103.97 3m49 n ASN 52 Ca 0.09 0.49 -0.25 0.00 -0.03 0.00 0.00 54.58 54.88 3m49 n ASN 52 Cb 0.61 -0.61 -0.08 0.00 -0.61 0.00 0.00 39.78 39.09 3m49 n ASN 52 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3m49 n ASN 53 N -2.08 -0.04 0.06 6.41 5.15 0.72 -4.99 115.26 120.49 3m49 n ASN 53 Ca 0.06 -2.56 0.08 0.00 -0.60 0.00 0.00 54.58 51.55 3m49 n ASN 53 Cb 0.41 -0.60 0.34 0.00 -0.53 0.00 0.00 39.78 39.40 3m49 n ASN 53 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3m49 n PRO 54 N 2.07 0.07 -0.50 1.20 -0.04 -1.15 -1.68 135.00 134.97 3m49 n PRO 54 Ca 0.25 0.40 0.09 0.00 -0.04 0.00 0.00 63.50 64.20 3m49 n PRO 54 Cb 0.50 -1.66 0.31 0.00 -0.04 0.00 0.00 33.50 32.61 3m49 n PRO 54 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3m49 n THR 55 N -1.81 1.65 -1.70 0.52 -2.24 -1.26 -4.76 114.28 104.68 3m49 n THR 55 Ca 0.02 -1.22 -0.58 0.00 -2.27 0.00 0.00 64.05 60.00 3m49 n THR 55 Cb 0.14 0.19 -0.07 0.00 -2.10 0.00 0.00 70.33 68.49 3m49 n THR 55 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 3m49 n TRP 56 N 0.93 1.96 0.18 4.78 -0.00 -0.68 -4.82 117.44 119.78 3m49 n TRP 56 Ca 0.23 0.60 0.05 0.00 -0.00 0.00 0.00 57.50 58.38 3m49 n TRP 56 Cb 0.79 -2.43 0.51 0.00 -0.00 0.00 0.00 31.31 30.18 3m49 n TRP 56 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 177.69 178.04 3m49 h PHE 57 N 6.73 0.14 -0.48 5.87 3.57 -1.94 -1.92 116.94 128.91 3m49 h PHE 57 Ca -0.46 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.03 3m49 h PHE 57 Cb 1.33 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.02 3m49 h PHE 57 CO 0.74 0.19 0.00 -1.71 -2.23 0.00 0.00 178.31 175.30 3m49 n ASN 58 N -4.41 4.75 -4.74 0.41 5.15 -1.26 -4.98 115.26 110.17 3m49 n ASN 58 Ca -0.01 -2.79 -0.34 0.00 -0.60 0.00 0.00 54.58 50.84 3m49 n ASN 58 Cb 0.17 -0.59 0.07 0.00 -0.53 0.00 0.00 39.78 38.90 3m49 n ASN 58 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3m49 s ARG 59 N -2.47 2.44 0.27 1.20 1.70 -0.72 -4.68 118.95 116.68 3m49 s ARG 59 Ca 0.48 1.60 -0.30 0.00 -0.47 0.00 0.00 55.73 57.04 3m49 s ARG 59 Cb 0.35 -1.89 -0.10 0.00 -0.57 0.00 0.00 34.95 32.74 3m49 s ARG 59 CO 0.16 -1.57 1.46 -0.51 -1.08 0.00 0.00 175.30 173.75 3m49 s ASP 60 N -2.25 6.61 0.30 -2.89 1.01 0.13 -4.73 116.67 114.84 3m49 s ASP 60 Ca 0.71 2.73 -0.10 0.00 0.71 0.00 0.00 52.55 56.60 3m49 s ASP 60 Cb -0.25 -2.63 -0.07 0.00 1.01 0.00 0.00 42.92 40.98 3m49 s ASP 60 CO 0.43 -0.73 0.64 -0.13 0.21 0.00 0.00 175.17 175.59 3m49 s ARG 61 N -0.55 3.80 -0.02 8.23 1.81 -0.56 -4.86 118.95 126.79 3m49 s ARG 61 Ca 0.59 0.34 -0.00 0.00 -1.72 0.00 0.00 55.73 54.94 3m49 s ARG 61 Cb -0.43 -2.54 0.03 0.00 -0.45 0.00 0.00 34.95 31.56 3m49 s ARG 61 CO 0.45 0.18 0.03 0.12 -0.68 0.00 0.00 175.30 175.40 3m49 s PHE 62 N -2.05 0.07 -0.14 -0.53 5.36 -1.26 -0.77 117.98 118.67 3m49 s PHE 62 Ca 0.49 0.12 0.01 0.00 -0.96 0.00 0.00 56.93 56.59 3m49 s PHE 62 Cb -0.11 -0.28 0.02 0.00 -0.34 0.00 0.00 43.02 42.31 3m49 s PHE 62 CO 0.25 -0.10 -0.16 0.08 -1.46 0.00 0.00 175.22 173.82 3m49 s VAL 63 N 1.14 1.68 -1.17 3.12 1.01 0.11 -4.25 120.40 122.03 3m49 s VAL 63 Ca -0.08 -0.73 -0.16 0.00 0.00 0.00 0.00 61.98 61.01 3m49 s VAL 63 Cb -0.13 -1.54 0.13 0.00 0.00 0.00 0.00 36.38 34.84 3m49 s VAL 63 CO -0.03 0.48 1.47 -0.22 0.00 0.00 0.00 175.10 176.80 3m49 s LEU 64 N 1.19 4.61 0.37 3.92 2.96 -1.26 -1.65 118.68 128.82 3m49 s LEU 64 Ca -0.01 -2.58 0.05 0.00 -0.22 0.00 0.00 54.13 51.37 3m49 s LEU 64 Cb -0.14 -2.46 0.73 0.00 0.50 0.00 0.00 46.19 44.82 3m49 s LEU 64 CO -0.06 -0.97 2.01 -1.28 -1.32 0.00 0.00 176.35 174.73 3m49 h SER 65 N 7.74 0.63 -1.03 3.68 0.87 -1.36 -3.06 113.55 121.02 3m49 h SER 65 Ca 0.32 -0.01 -0.71 0.00 -1.23 0.00 0.00 61.79 60.15 3m49 h SER 65 Cb 0.91 -0.15 -0.10 0.00 -0.44 0.00 0.00 62.40 62.61 3m49 h SER 65 CO 1.29 0.45 2.21 0.00 -0.53 0.00 0.00 176.83 180.25 3m49 n ALA 66 N -2.45 4.37 0.28 6.23 0.00 -1.05 -4.37 120.51 123.51 3m49 n ALA 66 Ca 0.06 -4.02 0.14 0.00 0.00 0.00 0.00 53.44 49.63 3m49 n ALA 66 Cb 0.09 -3.37 0.82 0.00 0.00 0.00 0.00 19.45 16.98 3m49 n ALA 66 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3m49 h GLY 67 N 10.62 0.00 2.00 0.00 0.00 -1.82 -1.55 103.07 112.32 3m49 h GLY 67 Ca 0.44 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.77 3m49 h GLY 67 CO 1.54 0.00 -0.00 1.12 0.00 0.00 0.00 176.54 179.19 3m49 h HIS 68 N 0.00 0.00 -0.07 5.60 2.07 -1.87 -1.18 115.15 119.69 3m49 h HIS 68 Ca -0.00 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.50 3m49 h HIS 68 Cb 0.21 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.18 3m49 h HIS 68 CO 0.00 0.00 0.03 0.41 -3.07 0.00 0.00 177.93 175.30 3m49 n GLY 69 N -1.11 1.89 2.01 6.13 0.00 -0.58 -4.35 105.19 109.19 3m49 n GLY 69 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3m49 n GLY 69 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3m49 n SER 70 N 0.18 0.00 0.00 1.61 3.41 -0.44 -3.68 113.62 114.69 3m49 n SER 70 Ca 0.04 -0.43 0.00 0.00 -0.26 0.00 0.00 58.87 58.22 3m49 n SER 70 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 3m49 n SER 70 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3m49 n LEU 72 N 1.45 0.00 -0.05 1.04 7.94 -1.26 -0.99 117.00 125.13 3m49 n LEU 72 Ca 0.00 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.77 3m49 n LEU 72 Cb 0.00 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.88 3m49 n LEU 72 CO 0.00 0.00 0.58 0.25 -1.11 0.00 0.00 177.39 177.11 3m49 h LEU 73 N 0.00 0.41 -0.91 -1.96 5.85 -2.00 -2.37 115.31 114.33 3m49 h LEU 73 Ca 0.00 -0.50 -0.04 0.00 0.84 0.00 0.00 57.88 58.18 3m49 h LEU 73 Cb 0.00 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 3m49 h LEU 73 CO 0.00 0.83 0.31 1.88 -0.34 0.00 0.00 178.44 181.11 3m49 h TYR 74 N 0.00 1.11 -0.27 1.25 0.05 -1.39 -0.03 116.97 117.69 3m49 h TYR 74 Ca 0.02 -0.07 0.02 0.00 0.05 0.00 0.00 58.73 58.75 3m49 h TYR 74 Cb 0.72 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 38.10 3m49 h TYR 74 CO 0.09 0.84 0.12 0.77 -1.05 0.00 0.00 178.16 178.93 3m49 h SER 75 N 1.08 0.17 -0.57 3.88 0.02 -1.80 -1.11 113.55 115.21 3m49 h SER 75 Ca 0.25 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.17 3m49 h SER 75 Cb 0.19 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 3m49 h SER 75 CO -0.02 0.13 0.16 -0.07 -1.14 0.00 0.00 176.83 175.89 3m49 h LEU 76 N 0.26 0.86 -0.08 5.07 3.38 -0.97 0.38 115.31 124.21 3m49 h LEU 76 Ca 0.11 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3m49 h LEU 76 Cb 0.05 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 3m49 h LEU 76 CO -0.09 0.86 0.04 -0.07 0.09 0.00 0.00 178.44 179.27 3m49 h LEU 77 N 0.82 0.10 0.09 1.67 3.38 -0.87 -1.28 115.31 119.22 3m49 h LEU 77 Ca 0.18 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3m49 h LEU 77 Cb 0.32 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3m49 h LEU 77 CO -0.00 0.18 -0.04 -0.74 0.09 0.00 0.00 178.44 177.92 3m49 h HIS 78 N 0.02 -0.11 -0.05 1.13 2.76 -1.07 -0.72 115.15 117.11 3m49 h HIS 78 Ca 0.03 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.16 3m49 h HIS 78 Cb 0.10 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 3m49 h HIS 78 CO -0.04 -0.03 -0.12 -0.07 -1.30 0.00 0.00 177.93 176.36 3m49 h LEU 79 N -0.16 0.07 0.00 0.26 3.38 -0.83 -2.50 115.31 115.53 3m49 h LEU 79 Ca -0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3m49 h LEU 79 Cb 0.13 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3m49 h LEU 79 CO 0.02 0.21 -0.14 -1.20 0.09 0.00 0.00 178.44 177.42 3m49 n SER 80 N -4.35 0.43 0.00 -0.43 7.64 -0.49 -4.72 113.62 111.70 3m49 n SER 80 Ca -0.02 0.38 0.00 0.00 1.01 0.00 0.00 58.87 60.25 3m49 n SER 80 Cb 0.22 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 3m49 n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3m49 n GLY 81 N 1.41 0.94 3.71 0.23 0.00 -0.94 -4.51 105.19 106.03 3m49 n GLY 81 Ca 0.06 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 3m49 n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3m49 s TYR 82 N -2.00 2.27 -0.76 1.61 2.02 -0.30 -4.60 117.35 115.58 3m49 s TYR 82 Ca 0.00 1.23 -0.07 0.00 -0.37 0.00 0.00 57.07 57.86 3m49 s TYR 82 Cb 0.00 -3.17 -0.14 0.00 -0.40 0.00 0.00 41.96 38.25 3m49 s TYR 82 CO 0.00 -2.48 2.81 -3.47 -1.57 0.00 0.00 175.55 170.84 3m49 n ASP 83 N -3.94 5.97 -3.97 2.29 2.03 -1.26 -4.64 116.55 113.02 3m49 n ASP 83 Ca 0.07 -2.40 -0.30 0.00 0.52 0.00 0.00 54.79 52.68 3m49 n ASP 83 Cb 0.55 -1.28 -0.16 0.00 -0.72 0.00 0.00 41.12 39.51 3m49 n ASP 83 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3m49 s VAL 84 N 2.11 1.61 0.00 5.18 1.01 -1.26 -4.56 120.40 124.48 3m49 s VAL 84 Ca 0.56 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 61.45 3m49 s VAL 84 Cb 0.20 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.82 3m49 s VAL 84 CO -0.03 0.06 0.00 0.35 0.00 0.00 0.00 175.10 175.49 3m49 n THR 85 N 4.68 0.00 0.00 3.92 -2.24 -1.26 -4.23 114.28 115.14 3m49 n THR 85 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3m49 n THR 85 Cb 0.45 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 3m49 n THR 85 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3m49 n ASP 87 N 0.00 0.00 -0.12 3.42 2.03 -1.26 -1.92 116.55 118.70 3m49 n ASP 87 Ca 0.00 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.27 3m49 n ASP 87 Cb 0.00 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.43 3m49 n ASP 87 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 3m49 h ASP 88 N 0.00 -0.16 -0.32 1.67 3.32 -1.96 -1.45 116.42 117.52 3m49 h ASP 88 Ca 0.00 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 3m49 h ASP 88 Cb 0.00 0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 3m49 h ASP 88 CO 0.00 -0.05 0.11 -0.07 -1.72 0.00 0.00 179.24 177.52 3m49 h LEU 89 N 0.11 0.51 0.00 1.55 3.38 -1.75 -0.36 115.31 118.75 3m49 h LEU 89 Ca 0.20 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3m49 h LEU 89 Cb 0.28 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3m49 h LEU 89 CO -0.33 0.50 0.00 0.29 0.09 0.00 0.00 178.44 178.99 3m49 n LYS 90 N -4.35 0.37 -0.39 1.13 5.02 -0.68 -2.67 118.16 116.59 3m49 n LYS 90 Ca 0.02 0.07 0.06 0.00 -2.02 0.00 0.00 58.31 56.45 3m49 n LYS 90 Cb 0.18 -1.50 0.19 0.00 -0.02 0.00 0.00 35.03 33.88 3m49 n LYS 90 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3m49 n ASN 91 N -1.23 2.53 -4.62 4.39 3.02 -0.16 -4.92 115.26 114.27 3m49 n ASN 91 Ca 0.11 -3.38 -0.51 0.00 -0.03 0.00 0.00 54.58 50.78 3m49 n ASN 91 Cb 0.15 -0.51 -0.06 0.00 -0.61 0.00 0.00 39.78 38.75 3m49 n ASN 91 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 3m49 n PHE 92 N -1.13 1.75 -1.30 3.10 7.35 -1.09 -1.94 117.46 124.20 3m49 n PHE 92 Ca 0.21 0.53 -0.10 0.00 -0.76 0.00 0.00 57.45 57.32 3m49 n PHE 92 Cb 0.77 -2.40 -0.04 0.00 0.35 0.00 0.00 39.48 38.15 3m49 n PHE 92 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3m49 n ARG 93 N 2.97 -1.00 -4.12 -4.13 1.74 -0.10 -4.67 116.66 107.35 3m49 n ARG 93 Ca 0.18 0.83 -0.26 0.00 -0.77 0.00 0.00 57.85 57.83 3m49 n ARG 93 Cb 0.21 -4.86 -0.06 0.00 -1.02 0.00 0.00 32.46 26.73 3m49 n ARG 93 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3m49 s GLN 94 N -2.72 2.78 -0.21 5.56 -1.52 -0.82 -4.91 119.66 117.83 3m49 s GLN 94 Ca 0.00 -0.95 -0.40 0.00 -1.95 0.00 0.00 55.36 52.06 3m49 s GLN 94 Cb 0.00 -2.57 -0.16 0.00 -0.22 0.00 0.00 33.01 30.06 3m49 s GLN 94 CO 0.00 0.47 1.65 1.87 -0.25 0.00 0.00 175.29 179.03 3m49 n TRP 95 N -0.38 1.92 -0.99 0.91 -0.00 -1.26 -1.38 117.44 116.26 3m49 n TRP 95 Ca -0.08 0.59 0.00 0.00 -0.00 0.00 0.00 57.50 58.00 3m49 n TRP 95 Cb 0.55 -2.42 0.00 0.00 -0.00 0.00 0.00 31.31 29.44 3m49 n TRP 95 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3m49 n GLY 96 N 3.84 0.29 3.84 5.87 0.00 -1.26 -5.00 105.19 112.76 3m49 n GLY 96 Ca 0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 3m49 n GLY 96 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3m49 s SER 97 N -2.02 5.01 0.00 1.61 1.04 -0.48 -4.94 113.70 113.93 3m49 s SER 97 Ca 0.00 1.28 0.17 0.00 0.48 0.00 0.00 55.95 57.88 3m49 s SER 97 Cb 0.00 -2.07 0.78 0.00 0.10 0.00 0.00 66.02 64.83 3m49 s SER 97 CO 0.00 -1.64 1.53 0.29 0.98 0.00 0.00 173.24 174.40 3m49 n LYS 98 N -3.22 1.34 -3.16 4.02 5.02 -1.26 -4.29 118.16 116.61 3m49 n LYS 98 Ca 0.07 -0.52 -0.24 0.00 -2.02 0.00 0.00 58.31 55.60 3m49 n LYS 98 Cb 0.56 -1.29 -0.05 0.00 -0.02 0.00 0.00 35.03 34.23 3m49 n LYS 98 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3m49 n THR 99 N -0.22 1.33 -1.16 -0.18 -2.24 -1.26 -4.61 114.28 105.93 3m49 n THR 99 Ca 0.13 -4.94 -0.31 0.00 -2.27 0.00 0.00 64.05 56.66 3m49 n THR 99 Cb 0.18 -1.36 0.11 0.00 -2.10 0.00 0.00 70.33 67.15 3m49 n THR 99 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3m49 s PRO 100 N -2.53 1.96 0.41 -0.78 0.04 -1.26 -0.93 135.00 131.90 3m49 s PRO 100 Ca 0.42 1.34 0.15 0.00 0.04 0.00 0.00 61.00 62.95 3m49 s PRO 100 Cb 0.25 -1.85 1.01 0.00 0.04 0.00 0.00 34.50 33.95 3m49 s PRO 100 CO -0.09 -1.90 1.88 0.78 0.04 0.00 0.00 177.00 177.72 3m49 h GLY 101 N -1.16 0.88 -3.82 0.56 0.00 -1.94 -3.40 103.07 94.19 3m49 h GLY 101 Ca -0.44 -0.21 -0.63 0.00 0.00 0.00 0.00 47.33 46.05 3m49 h GLY 101 CO 0.49 0.04 -0.84 0.30 0.00 0.00 0.00 176.54 176.53 3m49 s HIS 102 N -5.48 2.12 0.30 5.60 3.76 -1.26 -4.55 115.29 115.78 3m49 s HIS 102 Ca -0.08 -0.39 -0.30 0.00 -0.15 0.00 0.00 55.06 54.13 3m49 s HIS 102 Cb 0.22 -1.13 -0.12 0.00 1.11 0.00 0.00 32.58 32.66 3m49 s HIS 102 CO 0.78 0.33 1.59 -2.30 -0.85 0.00 0.00 174.74 174.28 3m49 n PRO 103 N 0.80 2.70 -3.90 8.40 -0.02 -1.26 -4.91 135.00 136.81 3m49 n PRO 103 Ca -0.17 0.96 -0.30 0.00 -2.02 0.00 0.00 63.50 61.97 3m49 n PRO 103 Cb 0.54 -2.74 -0.16 0.00 -0.02 0.00 0.00 33.50 31.12 3m49 n PRO 103 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3m49 s GLU 104 N -0.62 1.45 0.25 -0.52 2.02 -1.26 -2.48 118.70 117.53 3m49 s GLU 104 Ca 0.63 -0.93 -0.31 0.00 0.02 0.00 0.00 54.97 54.38 3m49 s GLU 104 Cb -0.49 -2.52 -0.14 0.00 0.10 0.00 0.00 34.13 31.08 3m49 s GLU 104 CO 0.50 -0.63 1.34 0.98 0.02 0.00 0.00 175.26 177.47 3m49 n TYR 105 N 4.72 2.02 0.00 1.61 9.36 -1.26 -1.92 117.16 131.69 3m49 n TYR 105 Ca -0.11 0.49 0.00 0.00 3.32 0.00 0.00 57.90 61.60 3m49 n TYR 105 Cb 0.44 -2.42 0.00 0.00 -0.63 0.00 0.00 39.34 36.73 3m49 n TYR 105 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3m49 n GLY 106 N 1.93 1.90 0.00 2.98 0.00 -1.26 -4.83 105.19 105.90 3m49 n GLY 106 Ca 0.11 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.18 3m49 n GLY 106 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3m49 n HIS 107 N -2.00 0.00 -3.74 1.61 8.25 -0.81 -4.99 115.22 113.54 3m49 n HIS 107 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 3m49 n HIS 107 Cb 0.00 -0.06 -0.14 0.00 1.12 0.00 0.00 29.99 30.91 3m49 n HIS 107 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3m49 s THR 108 N -2.17 -0.05 0.28 1.59 2.01 -1.23 -4.70 115.64 111.37 3m49 s THR 108 Ca 0.02 0.17 -0.30 0.00 0.31 0.00 0.00 61.69 61.89 3m49 s THR 108 Cb 0.07 -0.28 -0.11 0.00 0.01 0.00 0.00 72.50 72.19 3m49 s THR 108 CO 0.42 0.07 1.57 0.00 -0.69 0.00 0.00 174.62 175.99 3m49 s ALA 109 N 1.21 3.73 0.00 7.40 0.00 -1.26 -2.48 121.76 130.35 3m49 s ALA 109 Ca -0.09 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.39 3m49 s ALA 109 Cb -0.11 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.38 3m49 s ALA 109 CO -0.07 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.17 3m49 n GLY 110 N 2.30 1.28 3.61 0.00 0.00 -1.26 -4.77 105.19 106.35 3m49 n GLY 110 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3m49 n GLY 110 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m49 s VAL 111 N -3.21 4.99 -0.45 1.61 1.01 -1.04 -4.93 120.40 118.38 3m49 s VAL 111 Ca 0.00 0.95 0.23 0.00 0.00 0.00 0.00 61.98 63.17 3m49 s VAL 111 Cb 0.00 -3.94 0.13 0.00 0.00 0.00 0.00 36.38 32.57 3m49 s VAL 111 CO 0.00 -0.03 1.33 0.44 0.00 0.00 0.00 175.10 176.84 3m49 h ASP 112 N 8.05 0.00 -4.70 3.32 3.32 -1.91 -3.41 116.42 121.09 3m49 h ASP 112 Ca -0.27 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 56.66 3m49 h ASP 112 Cb 1.12 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.48 3m49 h ASP 112 CO 0.77 0.03 0.16 0.00 -1.72 0.00 0.00 179.24 178.48 3m49 s ALA 113 N -3.25 -1.74 -0.05 3.45 0.00 -1.26 -4.93 121.76 113.98 3m49 s ALA 113 Ca 0.04 1.50 -0.27 0.00 0.00 0.00 0.00 51.96 53.23 3m49 s ALA 113 Cb 0.10 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 3m49 s ALA 113 CO 0.72 -0.36 0.88 0.99 0.00 0.00 0.00 175.76 177.99 3m49 s THR 114 N -0.72 4.92 0.26 0.00 2.01 -1.26 -4.22 115.64 116.63 3m49 s THR 114 Ca -0.08 1.82 0.04 0.00 0.31 0.00 0.00 61.69 63.78 3m49 s THR 114 Cb -0.02 -4.21 -0.01 0.00 0.01 0.00 0.00 72.50 68.27 3m49 s THR 114 CO 0.07 0.16 0.14 0.35 -0.69 0.00 0.00 174.62 174.65 3m49 n THR 115 N 4.02 0.00 0.00 -0.82 -2.24 -1.04 -4.89 114.28 109.31 3m49 n THR 115 Ca 0.04 -1.67 0.00 0.00 -2.27 0.00 0.00 64.05 60.15 3m49 n THR 115 Cb 0.51 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 3m49 n THR 115 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3m49 n GLY 116 N -0.12 3.21 3.65 3.38 0.00 -1.26 -4.24 105.19 109.80 3m49 n GLY 116 Ca 0.00 -0.60 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 3m49 n GLY 116 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3m49 s PRO 117 N 0.00 4.06 0.67 1.61 0.02 -1.26 -4.72 135.00 135.38 3m49 s PRO 117 Ca 0.00 1.85 -0.16 0.00 0.02 0.00 0.00 61.00 62.71 3m49 s PRO 117 Cb 0.00 -3.94 0.01 0.00 0.02 0.00 0.00 34.50 30.59 3m49 s PRO 117 CO 0.00 -0.96 1.17 -0.51 -0.33 0.00 0.00 177.00 176.38 3m49 s LEU 118 N 4.27 3.44 0.00 -5.54 1.43 -1.26 -3.30 118.68 117.71 3m49 s LEU 118 Ca 0.67 2.25 0.00 0.00 -1.03 0.00 0.00 54.13 56.02 3m49 s LEU 118 Cb -0.27 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 41.37 3m49 s LEU 118 CO 0.25 -1.87 0.00 0.61 0.23 0.00 0.00 176.35 175.58 3m49 n GLY 119 N 0.14 2.18 0.19 -3.19 0.00 -1.26 -4.82 105.19 98.42 3m49 n GLY 119 Ca 0.12 -0.49 -0.02 0.00 0.00 0.00 0.00 46.02 45.63 3m49 n GLY 119 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3m49 h GLN 120 N 0.00 0.21 -0.40 1.61 4.20 -1.90 -3.00 115.11 115.83 3m49 h GLN 120 Ca 0.00 -0.11 0.08 0.00 0.06 0.00 0.00 58.65 58.68 3m49 h GLN 120 Cb 0.00 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.71 3m49 h GLN 120 CO 0.00 0.63 -0.09 0.78 -0.67 0.00 0.00 178.83 179.49 3m49 h GLY 121 N 1.30 0.30 1.00 3.46 0.00 -1.82 0.37 103.07 107.68 3m49 h GLY 121 Ca 0.01 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3m49 h GLY 121 CO 0.07 -0.15 0.23 -2.22 0.00 0.00 0.00 176.54 174.48 3m49 h ILE 122 N 0.01 1.09 -0.19 2.60 2.04 -1.88 -1.40 117.51 119.79 3m49 h ILE 122 Ca 0.19 -0.16 -0.08 0.00 1.00 0.00 0.00 64.86 65.81 3m49 h ILE 122 Cb 0.29 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 3m49 h ILE 122 CO -0.40 0.09 -0.22 0.00 0.00 0.00 0.00 178.15 177.62 3m49 h ALA 123 N 1.13 1.28 -0.42 1.87 0.00 -1.37 -1.12 119.26 120.64 3m49 h ALA 123 Ca 0.13 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 3m49 h ALA 123 Cb -0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3m49 h ALA 123 CO -0.03 0.48 -0.04 1.15 0.00 0.00 0.00 179.25 180.81 3m49 h THR 124 N 0.30 1.27 -0.69 0.00 2.02 -0.04 -2.59 112.91 113.17 3m49 h THR 124 Ca 0.05 -1.09 -0.01 0.00 0.77 0.00 0.00 66.41 66.13 3m49 h THR 124 Cb 0.56 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 3m49 h THR 124 CO 0.04 0.37 0.40 0.00 0.37 0.00 0.00 175.52 176.70 3m49 h ALA 125 N 0.88 1.40 -0.44 6.16 0.00 -0.75 -1.71 119.26 124.80 3m49 h ALA 125 Ca 0.11 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3m49 h ALA 125 Cb 0.54 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3m49 h ALA 125 CO 0.03 0.51 0.23 0.28 0.00 0.00 0.00 179.25 180.30 3m49 h VAL 126 N 0.96 0.99 0.00 0.00 2.07 -0.98 -0.75 116.25 118.53 3m49 h VAL 126 Ca 0.25 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.61 3m49 h VAL 126 Cb -0.01 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 3m49 h VAL 126 CO -0.04 0.09 0.00 0.61 0.02 0.00 0.00 177.57 178.24 3m49 n GLY 127 N -1.23 0.00 0.83 2.17 0.00 -0.64 -4.65 105.19 101.67 3m49 n GLY 127 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3m49 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m49 n ALA 129 N 0.78 -0.18 0.00 4.61 0.00 -0.29 -3.76 120.51 121.67 3m49 n ALA 129 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3m49 n ALA 129 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.36 3m49 n ALA 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3m49 n ALA 131 N -0.47 0.00 -0.09 0.00 0.00 -1.26 -2.11 120.51 116.57 3m49 n ALA 131 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3m49 n ALA 131 Cb 0.09 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.55 3m49 n ALA 131 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3m49 h GLU 132 N 0.00 0.21 -0.49 0.00 4.22 -1.96 -0.06 114.58 116.50 3m49 h GLU 132 Ca 0.00 -0.01 -0.11 0.00 0.08 0.00 0.00 59.36 59.32 3m49 h GLU 132 Cb 0.00 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3m49 h GLU 132 CO 0.00 0.14 -0.14 0.00 -2.18 0.00 0.00 179.01 176.83 3m49 h ARG 133 N 0.21 0.93 -0.19 1.92 2.47 -1.82 -1.16 114.38 116.75 3m49 h ARG 133 Ca 0.15 -0.35 -0.00 0.00 -1.26 0.00 0.00 59.98 58.52 3m49 h ARG 133 Cb 0.15 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.41 3m49 h ARG 133 CO -0.18 1.01 0.11 1.25 0.56 0.00 0.00 179.97 182.71 3m49 h HIS 134 N 0.82 0.25 -0.59 3.04 2.76 -1.64 -1.11 115.15 118.68 3m49 h HIS 134 Ca 0.13 -0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.22 3m49 h HIS 134 Cb 0.68 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.54 3m49 h HIS 134 CO 0.04 0.21 0.09 -0.07 -1.30 0.00 0.00 177.93 176.90 3m49 h LEU 135 N 0.21 0.94 -0.35 0.26 3.38 -0.93 -1.09 115.31 117.73 3m49 h LEU 135 Ca 0.07 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.79 3m49 h LEU 135 Cb 0.04 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3m49 h LEU 135 CO -0.01 0.96 0.19 0.00 0.09 0.00 0.00 178.44 179.67 3m49 h ALA 136 N 1.01 0.43 -0.92 1.53 0.00 -1.08 0.32 119.26 120.55 3m49 h ALA 136 Ca 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3m49 h ALA 136 Cb 0.43 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3m49 h ALA 136 CO 0.01 -0.18 0.57 0.00 0.00 0.00 0.00 179.25 179.65 3m49 h ALA 137 N 1.17 1.18 -0.22 0.00 0.00 -0.93 -0.84 119.26 119.61 3m49 h ALA 137 Ca 0.14 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 3m49 h ALA 137 Cb 0.04 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.46 3m49 h ALA 137 CO -0.09 0.62 -0.53 0.87 0.00 0.00 0.00 179.25 180.12 3m49 h LYS 138 N 1.27 0.75 0.00 0.00 1.57 -0.90 -3.41 116.57 115.86 3m49 h LYS 138 Ca 0.33 -0.51 -0.13 0.00 -1.87 0.00 0.00 60.65 58.47 3m49 h LYS 138 Cb -0.07 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3m49 h LYS 138 CO -0.06 1.14 -1.82 0.66 -0.57 0.00 0.00 179.45 178.79 3m49 n TYR 139 N -4.09 0.00 -2.27 -1.35 4.01 0.08 -4.99 117.16 108.55 3m49 n TYR 139 Ca -0.06 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.29 3m49 n TYR 139 Cb 0.62 -0.52 -0.02 0.00 -0.31 0.00 0.00 39.34 39.10 3m49 n TYR 139 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 3m49 s ASN 140 N -4.23 6.76 0.04 7.72 0.01 -0.33 -4.89 114.94 120.01 3m49 s ASN 140 Ca -0.06 2.45 0.02 0.00 -0.71 0.00 0.00 52.86 54.56 3m49 s ASN 140 Cb 0.07 -2.63 -0.02 0.00 0.41 0.00 0.00 41.25 39.08 3m49 s ASN 140 CO 0.60 -0.52 -0.07 -0.13 -1.51 0.00 0.00 177.10 175.47 3m49 s ARG 141 N -1.95 0.50 0.23 -0.60 1.81 -0.95 -4.95 118.95 113.04 3m49 s ARG 141 Ca 0.52 -0.73 0.00 0.00 -1.72 0.00 0.00 55.73 53.80 3m49 s ARG 141 Cb -0.34 -0.24 0.00 0.00 -0.45 0.00 0.00 34.95 33.92 3m49 s ARG 141 CO 0.44 0.04 0.00 -0.25 -0.68 0.00 0.00 175.30 174.85 3m49 n ASP 142 N 1.51 0.00 -0.86 0.23 10.43 -1.26 0.15 116.55 126.75 3m49 n ASP 142 Ca -0.23 0.00 0.11 0.00 2.57 0.00 0.00 54.79 57.24 3m49 n ASP 142 Cb 0.55 0.00 0.28 0.00 1.84 0.00 0.00 41.12 43.79 3m49 n ASP 142 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3m49 n ALA 143 N 9.71 2.46 -3.10 2.24 0.00 -1.26 -4.73 120.51 125.83 3m49 n ALA 143 Ca 0.00 -0.77 -0.45 0.00 0.00 0.00 0.00 53.44 52.22 3m49 n ALA 143 Cb 0.00 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 3m49 n ALA 143 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3m49 s TYR 144 N -1.60 3.50 -1.35 0.00 2.02 0.39 -4.90 117.35 115.42 3m49 s TYR 144 Ca 0.35 -1.82 -0.10 0.00 -0.37 0.00 0.00 57.07 55.12 3m49 s TYR 144 Cb 0.19 -4.09 0.12 0.00 -0.40 0.00 0.00 41.96 37.78 3m49 s TYR 144 CO 0.28 -1.26 2.07 0.27 -1.57 0.00 0.00 175.55 175.34 3m49 n ASN 145 N 5.20 5.22 -0.23 2.29 6.94 -1.26 -2.24 115.26 131.17 3m49 n ASN 145 Ca 0.23 -3.02 -0.08 0.00 -0.02 0.00 0.00 54.58 51.69 3m49 n ASN 145 Cb 0.47 -1.52 0.03 0.00 -2.36 0.00 0.00 39.78 36.40 3m49 n ASN 145 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 3m49 h ILE 146 N 3.66 1.26 -3.67 1.53 1.08 -1.90 -3.37 117.51 116.10 3m49 h ILE 146 Ca 0.49 -1.00 -0.70 0.00 -0.39 0.00 0.00 64.86 63.26 3m49 h ILE 146 Cb 0.58 0.68 -0.29 0.00 -3.07 0.00 0.00 36.82 34.72 3m49 h ILE 146 CO 1.69 0.37 -0.61 -0.69 -0.69 0.00 0.00 178.15 178.23 3m49 s VAL 147 N -5.22 3.76 -0.38 1.67 1.01 -1.26 -4.85 120.40 115.12 3m49 s VAL 147 Ca -0.12 -1.16 0.04 0.00 0.00 0.00 0.00 61.98 60.74 3m49 s VAL 147 Cb 0.14 -3.14 0.18 0.00 0.00 0.00 0.00 36.38 33.56 3m49 s VAL 147 CO 0.84 -0.19 0.72 -0.62 0.00 0.00 0.00 175.10 175.85 3m49 s ASP 148 N 1.42 -1.27 0.27 3.32 -1.08 -1.26 -4.56 116.67 113.51 3m49 s ASP 148 Ca -0.02 -0.58 -0.15 0.00 -0.52 0.00 0.00 52.55 51.29 3m49 s ASP 148 Cb -0.20 1.63 0.01 0.00 -1.46 0.00 0.00 42.92 42.90 3m49 s ASP 148 CO 0.03 -0.15 0.56 -1.38 0.52 0.00 0.00 175.17 174.75 3m49 s HIS 149 N 1.95 0.24 0.39 -5.34 -3.43 -1.26 -4.99 115.29 102.84 3m49 s HIS 149 Ca 0.16 -0.64 0.07 0.00 -0.80 0.00 0.00 55.06 53.85 3m49 s HIS 149 Cb -0.03 0.35 -0.00 0.00 -1.43 0.00 0.00 32.58 31.47 3m49 s HIS 149 CO -0.10 -1.10 0.50 0.71 -2.00 0.00 0.00 174.74 172.75 3m49 s TYR 150 N -3.84 2.91 -0.16 0.38 1.51 -1.26 -4.95 117.35 111.92 3m49 s TYR 150 Ca 0.19 -0.34 -0.00 0.00 -1.01 0.00 0.00 57.07 55.91 3m49 s TYR 150 Cb -0.02 -2.19 0.04 0.00 -0.11 0.00 0.00 41.96 39.68 3m49 s TYR 150 CO 0.09 -0.21 -0.05 0.99 -1.11 0.00 0.00 175.55 175.26 3m49 s THR 151 N -2.30 1.12 0.07 -0.71 2.01 0.09 -1.50 115.64 114.41 3m49 s THR 151 Ca 0.50 -0.62 0.05 0.00 0.31 0.00 0.00 61.69 61.92 3m49 s THR 151 Cb -0.09 -1.29 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 3m49 s THR 151 CO 0.31 0.14 -0.05 -0.31 -0.69 0.00 0.00 174.62 174.02 3m49 s TYR 152 N 1.63 2.88 0.03 4.92 2.02 0.05 -1.11 117.35 127.78 3m49 s TYR 152 Ca 0.01 -0.07 -0.03 0.00 -0.37 0.00 0.00 57.07 56.61 3m49 s TYR 152 Cb -0.15 -1.53 -0.02 0.00 -0.40 0.00 0.00 41.96 39.86 3m49 s TYR 152 CO -0.08 0.43 0.03 0.00 -1.57 0.00 0.00 175.55 174.37 3m49 s ALA 153 N -1.18 0.08 -0.14 3.71 0.00 -0.82 -0.72 121.76 122.70 3m49 s ALA 153 Ca 0.22 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.53 3m49 s ALA 153 Cb -0.11 0.21 -0.00 0.00 0.00 0.00 0.00 23.12 23.21 3m49 s ALA 153 CO 0.13 -0.26 -0.16 0.42 0.00 0.00 0.00 175.76 175.89 3m49 s ILE 154 N -2.34 2.65 0.33 0.00 1.01 -0.66 -0.22 121.20 121.98 3m49 s ILE 154 Ca -0.07 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 59.83 3m49 s ILE 154 Cb -0.03 -2.10 -0.07 0.00 0.01 0.00 0.00 42.46 40.27 3m49 s ILE 154 CO -0.04 0.52 0.05 0.00 0.00 0.00 0.00 174.94 175.47 3m49 n GLY 156 N -0.72 4.54 0.29 0.00 0.00 -1.26 -0.75 105.19 107.30 3m49 n GLY 156 Ca -0.03 -2.07 -0.03 0.00 0.00 0.00 0.00 46.02 43.90 3m49 n GLY 156 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3m49 h ASP 157 N 0.00 0.79 -0.70 1.61 3.32 -1.90 -3.04 116.42 116.50 3m49 h ASP 157 Ca 0.00 -0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.08 3m49 h ASP 157 Cb 0.00 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.33 3m49 h ASP 157 CO 0.00 0.55 0.44 1.23 -1.72 0.00 0.00 179.24 179.73 3m49 h GLY 158 N 0.94 1.01 0.31 2.75 0.00 -1.96 -1.38 103.07 104.74 3m49 h GLY 158 Ca 0.30 -0.33 0.15 0.00 0.00 0.00 0.00 47.33 47.46 3m49 h GLY 158 CO -0.11 0.28 0.62 -0.55 0.00 0.00 0.00 176.54 176.78 3m49 h ASP 159 N 0.86 0.86 -0.40 0.19 3.32 -1.90 -2.97 116.42 116.38 3m49 h ASP 159 Ca 0.28 0.07 -0.26 0.00 0.02 0.00 0.00 57.03 57.14 3m49 h ASP 159 Cb 0.02 -0.09 -0.10 0.00 0.22 0.00 0.00 39.33 39.38 3m49 h ASP 159 CO -0.11 0.39 0.09 0.18 -1.72 0.00 0.00 179.24 178.07 3m49 n LEU 160 N -4.69 5.89 -0.64 1.55 4.32 -0.52 -4.24 117.00 118.67 3m49 n LEU 160 Ca 0.21 -3.28 0.00 0.00 -0.02 0.00 0.00 56.01 52.92 3m49 n LEU 160 Cb 0.46 -1.22 0.00 0.00 -1.62 0.00 0.00 43.42 41.03 3m49 n LEU 160 CO 0.24 1.45 0.00 -0.62 -1.22 0.00 0.00 177.39 177.24 3m49 n GLU 162 N 1.34 0.00 0.25 3.23 -0.58 -1.12 -4.86 120.64 118.90 3m49 n GLU 162 Ca 0.32 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 57.15 3m49 n GLU 162 Cb 0.65 -0.28 0.65 0.00 -0.57 0.00 0.00 31.44 31.90 3m49 n GLU 162 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3m49 h GLY 163 N 0.72 0.00 2.00 0.62 0.00 -1.95 -2.55 103.07 101.91 3m49 h GLY 163 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 3m49 h GLY 163 CO 0.00 0.00 -0.47 -0.24 0.00 0.00 0.00 176.54 175.83 3m49 h VAL 164 N 0.00 1.34 -0.12 4.60 3.04 -1.91 -1.44 116.25 121.75 3m49 h VAL 164 Ca -0.00 -1.60 -0.15 0.00 -1.01 0.00 0.00 66.70 63.94 3m49 h VAL 164 Cb 0.16 1.86 -0.01 0.00 -2.01 0.00 0.00 31.29 31.30 3m49 h VAL 164 CO 0.01 0.46 -0.56 0.77 -1.01 0.00 0.00 177.57 177.24 3m49 h SER 165 N 0.00 0.41 -0.24 3.17 4.64 -1.61 -1.54 113.55 118.37 3m49 h SER 165 Ca -0.00 -0.22 -0.02 0.00 -0.47 0.00 0.00 61.79 61.07 3m49 h SER 165 Cb 0.83 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 3m49 h SER 165 CO 0.06 0.89 0.06 0.00 -0.87 0.00 0.00 176.83 176.97 3m49 h ALA 166 N 1.12 0.32 -0.06 5.18 0.00 -1.41 -0.51 119.26 123.89 3m49 h ALA 166 Ca 0.00 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.77 3m49 h ALA 166 Cb 1.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3m49 h ALA 166 CO 0.09 -0.03 -0.06 0.93 0.00 0.00 0.00 179.25 180.19 3m49 h GLU 167 N 0.22 -0.08 -0.32 0.00 5.08 -1.21 -1.07 114.58 117.20 3m49 h GLU 167 Ca 0.08 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 3m49 h GLU 167 Cb 0.28 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3m49 h GLU 167 CO 0.00 -0.05 0.04 0.00 -1.00 0.00 0.00 179.01 177.99 3m49 h ALA 168 N 0.97 1.47 0.04 3.43 0.00 -1.17 -1.46 119.26 122.55 3m49 h ALA 168 Ca 0.05 -0.16 -0.24 0.00 0.00 0.00 0.00 54.91 54.55 3m49 h ALA 168 Cb 0.15 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.81 3m49 h ALA 168 CO -0.11 0.38 -1.04 0.77 0.00 0.00 0.00 179.25 179.25 3m49 h SER 169 N 0.46 0.55 -0.08 0.00 0.02 -0.73 0.92 113.55 114.70 3m49 h SER 169 Ca 0.11 -0.48 0.01 0.00 -0.84 0.00 0.00 61.79 60.59 3m49 h SER 169 Cb 0.25 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 3m49 h SER 169 CO 0.00 1.30 0.02 -1.28 -1.14 0.00 0.00 176.83 175.73 3m49 h SER 170 N 0.20 0.01 -0.31 3.07 0.87 -0.92 -2.17 113.55 114.30 3m49 h SER 170 Ca -0.10 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.46 3m49 h SER 170 Cb 1.70 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.66 3m49 h SER 170 CO 0.18 0.02 0.17 0.25 -0.53 0.00 0.00 176.83 176.92 3m49 h LEU 171 N 0.05 0.38 -0.96 2.23 5.85 -1.12 -1.59 115.31 120.15 3m49 h LEU 171 Ca 0.03 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.70 3m49 h LEU 171 Cb 0.03 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 3m49 h LEU 171 CO -0.04 0.35 0.63 0.00 -0.34 0.00 0.00 178.44 179.04 3m49 h ALA 172 N 1.05 1.24 -0.51 1.25 0.00 -0.77 -1.10 119.26 120.41 3m49 h ALA 172 Ca 0.11 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3m49 h ALA 172 Cb 0.05 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3m49 h ALA 172 CO -0.02 0.56 -0.06 0.00 0.00 0.00 0.00 179.25 179.74 3m49 h ALA 173 N 1.37 0.69 -0.58 0.00 0.00 -1.22 -1.96 119.26 117.57 3m49 h ALA 173 Ca 0.36 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3m49 h ALA 173 Cb -0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3m49 h ALA 173 CO -0.10 0.55 0.36 1.25 0.00 0.00 0.00 179.25 181.32 3m49 h HIS 174 N 0.80 0.74 -0.01 0.00 6.17 -0.54 -1.09 115.15 121.22 3m49 h HIS 174 Ca 0.14 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.23 3m49 h HIS 174 Cb 0.60 -0.25 0.00 0.00 2.52 0.00 0.00 27.41 30.28 3m49 h HIS 174 CO 0.04 0.48 -0.03 1.28 0.71 0.00 0.00 177.93 180.41 3m49 n LEU 175 N -4.43 0.74 -3.73 0.26 4.77 -0.49 -4.58 117.00 109.54 3m49 n LEU 175 Ca 0.05 -0.21 -0.25 0.00 -0.03 0.00 0.00 56.01 55.58 3m49 n LEU 175 Cb 0.06 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.13 3m49 n LEU 175 CO 0.36 0.13 -0.10 0.00 -1.33 0.00 0.00 177.39 176.44 3m49 n GLN 176 N -0.51 -3.36 -2.75 3.23 6.02 -0.41 -4.26 117.38 115.34 3m49 n GLN 176 Ca 0.19 0.54 -0.44 0.00 -0.01 0.00 0.00 57.00 57.29 3m49 n GLN 176 Cb 0.25 -4.78 0.00 0.00 1.02 0.00 0.00 30.24 26.74 3m49 n GLN 176 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3m49 n LEU 177 N -4.21 5.32 0.00 1.08 4.77 -0.92 -4.57 117.00 118.47 3m49 n LEU 177 Ca -0.23 -4.32 0.07 0.00 -0.03 0.00 0.00 56.01 51.50 3m49 n LEU 177 Cb 0.65 -1.64 0.35 0.00 -2.33 0.00 0.00 43.42 40.45 3m49 n LEU 177 CO 0.69 0.64 0.73 0.61 -1.33 0.00 0.00 177.39 178.73 3m49 n GLY 178 N 4.33 -0.92 0.71 -0.72 0.00 -1.25 -2.12 105.19 105.24 3m49 n GLY 178 Ca 0.41 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.48 3m49 n GLY 178 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m49 n ARG 179 N -1.40 1.94 -3.45 1.61 1.74 -1.26 -4.71 116.66 111.13 3m49 n ARG 179 Ca 0.05 -1.41 -0.38 0.00 -0.77 0.00 0.00 57.85 55.33 3m49 n ARG 179 Cb 0.15 -1.43 -0.09 0.00 -1.02 0.00 0.00 32.46 30.07 3m49 n ARG 179 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3m49 s LEU 180 N -1.59 4.09 -0.11 0.55 2.96 -0.90 -0.73 118.68 122.94 3m49 s LEU 180 Ca 0.34 0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 54.55 3m49 s LEU 180 Cb 0.19 -2.38 0.03 0.00 0.50 0.00 0.00 46.19 44.53 3m49 s LEU 180 CO 0.28 -0.10 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.48 3m49 s VAL 181 N 1.64 0.76 -0.18 1.68 1.01 -0.26 -1.65 120.40 123.41 3m49 s VAL 181 Ca 0.14 -0.20 -0.02 0.00 0.00 0.00 0.00 61.98 61.91 3m49 s VAL 181 Cb -0.15 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.33 3m49 s VAL 181 CO 0.08 0.26 -0.08 -0.69 0.00 0.00 0.00 175.10 174.67 3m49 s VAL 182 N 1.81 3.25 -0.24 2.92 1.01 -0.11 -1.94 120.40 127.10 3m49 s VAL 182 Ca 0.04 -0.56 -0.16 0.00 0.00 0.00 0.00 61.98 61.30 3m49 s VAL 182 Cb -0.13 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 3m49 s VAL 182 CO -0.07 0.47 0.42 -0.76 0.00 0.00 0.00 175.10 175.16 3m49 s LEU 183 N 0.93 4.09 -0.37 3.92 1.02 0.70 -0.31 118.68 128.67 3m49 s LEU 183 Ca -0.01 0.44 -0.10 0.00 0.02 0.00 0.00 54.13 54.47 3m49 s LEU 183 Cb -0.15 -2.52 0.03 0.00 0.02 0.00 0.00 46.19 43.58 3m49 s LEU 183 CO 0.00 -0.16 0.19 -0.47 0.02 0.00 0.00 176.35 175.92 3m49 s TYR 184 N 1.80 3.25 -0.76 0.29 5.04 0.43 -1.51 117.35 125.89 3m49 s TYR 184 Ca 0.18 -1.10 -0.26 0.00 -2.44 0.00 0.00 57.07 53.45 3m49 s TYR 184 Cb -0.15 -2.42 0.02 0.00 0.35 0.00 0.00 41.96 39.76 3m49 s TYR 184 CO 0.09 -0.68 1.48 0.34 -1.34 0.00 0.00 175.55 175.44 3m49 s ASP 185 N 1.53 5.94 -0.50 4.32 2.15 0.07 -0.47 116.67 129.71 3m49 s ASP 185 Ca 0.01 -0.43 -0.10 0.00 0.43 0.00 0.00 52.55 52.46 3m49 s ASP 185 Cb -0.19 -2.55 0.13 0.00 -0.30 0.00 0.00 42.92 40.00 3m49 s ASP 185 CO 0.06 -1.97 0.38 -0.55 -0.17 0.00 0.00 175.17 172.92 3m49 s SER 186 N 5.19 5.78 0.00 -0.34 0.15 -0.32 -4.03 113.70 120.13 3m49 s SER 186 Ca 0.46 -1.98 0.00 0.00 0.70 0.00 0.00 55.95 55.13 3m49 s SER 186 Cb -0.08 -2.03 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 3m49 s SER 186 CO 0.12 -0.69 0.83 -0.46 1.20 0.00 0.00 173.24 174.24 3m49 n ASN 187 N 4.83 1.45 -0.73 5.45 0.23 -1.26 -1.92 115.26 123.31 3m49 n ASN 187 Ca -0.07 -1.69 -0.09 0.00 -0.53 0.00 0.00 54.58 52.20 3m49 n ASN 187 Cb 0.41 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.07 3m49 n ASN 187 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3m49 n ASP 188 N -0.34 -5.04 -4.01 0.53 8.00 -1.26 -4.56 116.55 109.87 3m49 n ASP 188 Ca 0.00 0.23 -0.21 0.00 0.71 0.00 0.00 54.79 55.52 3m49 n ASP 188 Cb 0.29 -3.37 -0.16 0.00 -0.02 0.00 0.00 41.12 37.86 3m49 n ASP 188 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3m49 s ILE 189 N -2.05 0.84 0.51 0.53 -1.09 -1.26 -0.94 121.20 117.74 3m49 s ILE 189 Ca 0.00 -0.38 0.01 0.00 -2.23 0.00 0.00 60.65 58.05 3m49 s ILE 189 Cb 0.00 -0.75 -0.01 0.00 -1.58 0.00 0.00 42.46 40.11 3m49 s ILE 189 CO 0.00 0.26 0.01 -0.94 -1.23 0.00 0.00 174.94 173.05 3m49 s SER 190 N 0.25 4.14 0.25 3.58 1.04 0.08 -4.77 113.70 118.28 3m49 s SER 190 Ca -0.04 -1.63 -0.03 0.00 0.48 0.00 0.00 55.95 54.72 3m49 s SER 190 Cb -0.10 0.49 0.44 0.00 0.10 0.00 0.00 66.02 66.96 3m49 s SER 190 CO 0.01 -0.85 1.78 0.25 0.98 0.00 0.00 173.24 175.41 3m49 h LEU 191 N 1.34 0.58 0.00 2.42 6.46 -1.98 -2.65 115.31 121.48 3m49 h LEU 191 Ca -0.44 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.39 3m49 h LEU 191 Cb 1.31 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 41.21 3m49 h LEU 191 CO 0.74 0.30 -0.43 0.47 -0.62 0.00 0.00 178.44 178.89 3m49 n ASP 192 N -4.82 0.58 0.00 1.25 8.00 -1.26 -4.87 116.55 115.43 3m49 n ASP 192 Ca 0.15 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.79 3m49 n ASP 192 Cb 0.34 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 3m49 n ASP 192 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3m49 n GLY 193 N 1.39 -0.13 3.74 0.44 0.00 -1.00 -5.02 105.19 104.61 3m49 n GLY 193 Ca 0.05 -1.14 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 3m49 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3m49 n ASP 194 N 0.00 3.77 0.01 1.61 8.00 -1.26 -0.74 116.55 127.94 3m49 n ASP 194 Ca 0.00 1.14 0.12 0.00 0.71 0.00 0.00 54.79 56.77 3m49 n ASP 194 Cb 0.00 -1.58 0.56 0.00 -0.02 0.00 0.00 41.12 40.08 3m49 n ASP 194 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3m49 h LEU 195 N 4.78 0.23 0.00 0.64 5.85 -1.34 -1.52 115.31 123.95 3m49 h LEU 195 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.26 3m49 h LEU 195 Cb 1.23 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.21 3m49 h LEU 195 CO 0.79 0.14 0.00 -0.46 -0.34 0.00 0.00 178.44 178.58 3m49 n ASN 196 N -4.46 0.00 -0.04 1.25 0.23 -1.26 -1.25 115.26 109.74 3m49 n ASN 196 Ca 0.07 -0.28 0.13 0.00 -0.53 0.00 0.00 54.58 53.97 3m49 n ASN 196 Cb 0.34 -0.05 0.49 0.00 -2.08 0.00 0.00 39.78 38.48 3m49 n ASN 196 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3m49 n ARG 197 N -1.05 0.21 0.00 -3.83 1.74 -0.57 -4.39 116.66 108.77 3m49 n ARG 197 Ca 0.08 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 3m49 n ARG 197 Cb 0.05 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 3m49 n ARG 197 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3m49 n SER 198 N -1.33 0.00 -3.67 0.55 3.41 -0.38 -5.10 113.62 107.09 3m49 n SER 198 Ca 0.09 -0.22 -0.09 0.00 -0.26 0.00 0.00 58.87 58.39 3m49 n SER 198 Cb 0.32 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.17 3m49 n SER 198 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3m49 s PHE 199 N 0.00 -0.72 0.00 7.33 2.19 -0.39 -5.02 117.98 121.37 3m49 s PHE 199 Ca 0.00 1.44 0.00 0.00 0.33 0.00 0.00 56.93 58.70 3m49 s PHE 199 Cb 0.00 0.30 0.00 0.00 -1.31 0.00 0.00 43.02 42.01 3m49 s PHE 199 CO 0.00 -0.42 0.57 -1.13 1.83 0.00 0.00 175.22 176.08 3m49 n SER 200 N 4.80 0.00 -4.73 6.13 3.41 -1.26 -3.97 113.62 118.00 3m49 n SER 200 Ca -0.16 -1.33 -0.30 0.00 -0.26 0.00 0.00 58.87 56.82 3m49 n SER 200 Cb 0.53 -0.07 0.13 0.00 -0.26 0.00 0.00 64.21 64.54 3m49 n SER 200 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3m49 s GLU 201 N 0.00 1.41 -0.59 4.33 -1.05 -1.26 -4.98 118.70 116.56 3m49 s GLU 201 Ca 0.00 0.87 -0.21 0.00 -0.15 0.00 0.00 54.97 55.48 3m49 s GLU 201 Cb 0.00 -1.82 0.07 0.00 -0.44 0.00 0.00 34.13 31.94 3m49 s GLU 201 CO 0.00 -2.15 0.83 0.45 0.95 0.00 0.00 175.26 175.34 3m49 s SER 202 N -3.42 6.22 0.19 0.83 0.15 -1.26 -4.91 113.70 111.50 3m49 s SER 202 Ca 0.63 -0.96 -0.12 0.00 0.70 0.00 0.00 55.95 56.19 3m49 s SER 202 Cb -0.18 -2.37 0.13 0.00 -1.71 0.00 0.00 66.02 61.89 3m49 s SER 202 CO 0.57 -1.21 1.82 0.58 1.20 0.00 0.00 173.24 176.20 3m49 h VAL 203 N 5.95 1.07 -0.40 4.45 2.07 -2.00 -1.77 116.25 125.62 3m49 h VAL 203 Ca -0.28 -0.24 0.06 0.00 0.82 0.00 0.00 66.70 67.07 3m49 h VAL 203 Cb 1.08 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 3m49 h VAL 203 CO 1.10 0.13 0.07 -0.08 0.02 0.00 0.00 177.57 178.80 3m49 h GLU 204 N 0.69 0.19 -0.29 1.57 4.81 -2.00 -1.17 114.58 118.38 3m49 h GLU 204 Ca 0.23 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.34 3m49 h GLU 204 Cb 0.02 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 3m49 h GLU 204 CO -0.10 0.12 -0.27 -0.44 -0.73 0.00 0.00 179.01 177.59 3m49 h ASP 205 N 0.19 0.59 -0.33 1.04 3.32 -1.90 -1.21 116.42 118.12 3m49 h ASP 205 Ca 0.19 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 3m49 h ASP 205 Cb 0.24 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3m49 h ASP 205 CO -0.26 0.84 0.19 -0.09 -1.72 0.00 0.00 179.24 178.20 3m49 h ARG 206 N 0.50 0.45 -0.61 3.56 2.43 -0.79 -0.70 114.38 119.23 3m49 h ARG 206 Ca 0.07 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 3m49 h ARG 206 Cb 0.73 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 3m49 h ARG 206 CO 0.06 0.36 0.05 1.88 -1.51 0.00 0.00 179.97 180.81 3m49 h TYR 207 N 0.42 1.09 -0.85 2.20 -1.99 -0.95 -1.28 116.97 115.61 3m49 h TYR 207 Ca 0.12 -0.16 -0.03 0.00 2.00 0.00 0.00 58.73 60.66 3m49 h TYR 207 Cb 0.03 -0.29 -0.04 0.00 2.00 0.00 0.00 36.73 38.43 3m49 h TYR 207 CO -0.04 0.94 0.43 0.87 -0.00 0.00 0.00 178.16 180.37 3m49 h LYS 208 N 0.94 1.21 -1.01 4.88 1.57 -1.10 -1.02 116.57 122.04 3m49 h LYS 208 Ca 0.18 -0.16 0.05 0.00 -1.87 0.00 0.00 60.65 58.85 3m49 h LYS 208 Cb 0.47 -0.22 -0.06 0.00 0.08 0.00 0.00 32.23 32.49 3m49 h LYS 208 CO 0.02 0.91 0.66 0.00 -0.57 0.00 0.00 179.45 180.46 3m49 h ALA 209 N 1.23 1.37 -0.36 3.86 0.00 -0.48 -1.17 119.26 123.71 3m49 h ALA 209 Ca 0.29 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 3m49 h ALA 209 Cb 0.08 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3m49 h ALA 209 CO -0.04 0.49 0.03 1.88 0.00 0.00 0.00 179.25 181.61 3m49 h TYR 210 N 1.22 0.57 0.00 0.00 0.05 -0.75 -3.47 116.97 114.60 3m49 h TYR 210 Ca 0.42 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 59.15 3m49 h TYR 210 Cb 0.10 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 37.67 3m49 h TYR 210 CO -0.00 0.54 0.00 0.41 -1.05 0.00 0.00 178.16 178.06 3m49 n GLY 211 N -0.91 1.76 3.87 3.88 0.00 -0.44 -4.64 105.19 108.71 3m49 n GLY 211 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 3m49 n GLY 211 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3m49 s TRP 212 N -2.00 3.43 0.11 1.61 0.52 -0.44 -4.58 118.94 117.60 3m49 s TRP 212 Ca 0.00 1.06 -0.30 0.00 0.02 0.00 0.00 56.10 56.88 3m49 s TRP 212 Cb 0.00 -2.43 -0.06 0.00 -1.15 0.00 0.00 33.47 29.83 3m49 s TRP 212 CO 0.00 0.02 1.06 -1.14 0.02 0.00 0.00 176.95 176.91 3m49 s GLN 213 N -3.43 4.59 -0.11 4.98 0.74 0.14 -4.19 119.66 122.37 3m49 s GLN 213 Ca 0.51 1.61 0.03 0.00 0.05 0.00 0.00 55.36 57.57 3m49 s GLN 213 Cb -0.10 -3.34 0.01 0.00 1.10 0.00 0.00 33.01 30.67 3m49 s GLN 213 CO 0.25 0.04 -0.21 0.08 -0.55 0.00 0.00 175.29 174.90 3m49 s VAL 214 N 0.23 1.90 -0.06 1.34 1.01 -1.26 -0.55 120.40 123.01 3m49 s VAL 214 Ca 0.51 -0.91 0.05 0.00 0.00 0.00 0.00 61.98 61.63 3m49 s VAL 214 Cb -0.27 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 3m49 s VAL 214 CO 0.32 0.52 -0.22 -0.63 0.00 0.00 0.00 175.10 175.09 3m49 s ILE 215 N 0.57 1.81 -0.16 2.22 1.01 -0.42 -4.98 121.20 121.26 3m49 s ILE 215 Ca -0.14 -0.92 -0.06 0.00 0.00 0.00 0.00 60.65 59.52 3m49 s ILE 215 Cb -0.17 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 3m49 s ILE 215 CO 0.04 0.51 0.07 -0.60 0.00 0.00 0.00 174.94 174.96 3m49 s ARG 216 N -0.04 3.73 -0.30 2.79 3.52 -1.26 -0.59 118.95 126.79 3m49 s ARG 216 Ca -0.05 -0.31 -0.05 0.00 -0.13 0.00 0.00 55.73 55.19 3m49 s ARG 216 Cb -0.13 -3.14 0.03 0.00 -1.56 0.00 0.00 34.95 30.14 3m49 s ARG 216 CO 0.03 0.43 0.05 0.08 -0.81 0.00 0.00 175.30 175.09 3m49 s VAL 217 N -0.08 3.56 0.19 7.11 1.01 0.20 -4.95 120.40 127.45 3m49 s VAL 217 Ca 0.07 -1.00 0.04 0.00 0.00 0.00 0.00 61.98 61.09 3m49 s VAL 217 Cb -0.12 -2.92 -0.11 0.00 0.00 0.00 0.00 36.38 33.23 3m49 s VAL 217 CO 0.01 -0.01 1.45 -0.33 0.00 0.00 0.00 175.10 176.22 3m49 h GLU 218 N 8.15 0.19 -4.63 2.72 4.39 -1.89 -1.01 114.58 122.50 3m49 h GLU 218 Ca -0.27 -0.18 -0.67 0.00 0.34 0.00 0.00 59.36 58.58 3m49 h GLU 218 Cb 1.10 0.04 -0.38 0.00 -0.10 0.00 0.00 28.75 29.41 3m49 h GLU 218 CO 0.59 0.87 -0.66 0.34 -1.16 0.00 0.00 179.01 178.98 3m49 s ASP 219 N -6.90 4.93 0.35 1.42 3.68 -1.26 -4.52 116.67 114.36 3m49 s ASP 219 Ca -0.03 -2.10 0.24 0.00 2.13 0.00 0.00 52.55 52.80 3m49 s ASP 219 Cb 0.11 -1.70 1.27 0.00 -1.45 0.00 0.00 42.92 41.15 3m49 s ASP 219 CO 0.81 -0.43 1.74 1.23 0.13 0.00 0.00 175.17 178.65 3m49 h GLY 220 N 7.76 0.00 0.90 2.66 0.00 -1.31 0.04 103.07 113.11 3m49 h GLY 220 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3m49 h GLY 220 CO 0.58 0.00 -0.18 0.70 0.00 0.00 0.00 176.54 177.63 3m49 n ASN 221 N -2.34 0.54 -4.41 0.19 3.02 -1.26 -4.64 115.26 106.34 3m49 n ASN 221 Ca -0.01 -0.48 -0.44 0.00 -0.03 0.00 0.00 54.58 53.62 3m49 n ASN 221 Cb 0.06 -0.03 -0.04 0.00 -0.61 0.00 0.00 39.78 39.17 3m49 n ASN 221 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3m49 s ASP 222 N -2.61 6.25 0.43 6.41 3.68 -0.00 -4.87 116.67 125.95 3m49 s ASP 222 Ca 0.24 -1.35 0.24 0.00 2.13 0.00 0.00 52.55 53.80 3m49 s ASP 222 Cb 0.19 -2.36 0.72 0.00 -1.45 0.00 0.00 42.92 40.02 3m49 s ASP 222 CO 0.52 -1.23 1.74 0.16 0.13 0.00 0.00 175.17 176.49 3m49 h ILE 223 N 5.91 0.41 -0.44 4.11 3.07 -1.85 -2.55 117.51 126.17 3m49 h ILE 223 Ca -0.23 -1.21 -0.04 0.00 1.55 0.00 0.00 64.86 64.94 3m49 h ILE 223 Cb 1.07 1.89 -0.02 0.00 -0.27 0.00 0.00 36.82 39.50 3m49 h ILE 223 CO 1.13 0.19 0.13 -0.08 -1.05 0.00 0.00 178.15 178.47 3m49 h GLU 224 N 0.00 0.68 -0.89 0.16 4.81 -1.97 0.03 114.58 117.41 3m49 h GLU 224 Ca -0.00 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 3m49 h GLU 224 Cb 0.88 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.12 3m49 h GLU 224 CO 0.03 0.67 0.49 0.00 -0.73 0.00 0.00 179.01 179.46 3m49 h ALA 225 N 0.98 1.17 -0.28 2.92 0.00 -1.84 -0.92 119.26 121.29 3m49 h ALA 225 Ca 0.14 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3m49 h ALA 225 Cb 0.28 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3m49 h ALA 225 CO -0.00 0.66 -0.22 0.82 0.00 0.00 0.00 179.25 180.51 3m49 h ILE 226 N 1.25 1.30 -0.63 0.00 2.04 -1.29 -1.85 117.51 118.34 3m49 h ILE 226 Ca 0.31 -1.36 0.02 0.00 1.00 0.00 0.00 64.86 64.84 3m49 h ILE 226 Cb 0.03 1.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 3m49 h ILE 226 CO -0.05 0.43 0.40 0.00 0.00 0.00 0.00 178.15 178.93 3m49 h ALA 227 N 0.72 0.82 -0.87 1.87 0.00 -0.77 -0.54 119.26 120.48 3m49 h ALA 227 Ca 0.05 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3m49 h ALA 227 Cb 0.76 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 3m49 h ALA 227 CO 0.06 0.16 0.57 0.87 0.00 0.00 0.00 179.25 180.91 3m49 h LYS 228 N 0.79 1.06 -0.29 0.00 1.57 -0.99 -0.61 116.57 118.10 3m49 h LYS 228 Ca 0.25 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.92 3m49 h LYS 228 Cb -0.01 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 3m49 h LYS 228 CO -0.09 0.70 0.01 0.00 -0.57 0.00 0.00 179.45 179.51 3m49 h ALA 229 N 1.49 0.39 -0.65 3.86 0.00 -0.58 -0.34 119.26 123.43 3m49 h ALA 229 Ca 0.34 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3m49 h ALA 229 Cb 0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3m49 h ALA 229 CO -0.10 0.12 0.13 0.82 0.00 0.00 0.00 179.25 180.22 3m49 h ILE 230 N 0.31 1.26 -0.54 0.00 2.04 -0.76 0.98 117.51 120.81 3m49 h ILE 230 Ca 0.08 -0.99 0.01 0.00 1.00 0.00 0.00 64.86 64.96 3m49 h ILE 230 Cb 0.40 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 3m49 h ILE 230 CO 0.01 0.37 0.35 -0.08 0.00 0.00 0.00 178.15 178.80 3m49 h GLU 231 N 0.99 0.68 -0.86 2.37 4.81 -0.99 -0.30 114.58 121.27 3m49 h GLU 231 Ca 0.20 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3m49 h GLU 231 Cb 0.41 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 3m49 h GLU 231 CO 0.01 0.45 0.53 1.49 -0.73 0.00 0.00 179.01 180.76 3m49 h GLU 232 N 0.70 1.16 -0.36 1.92 4.81 -0.60 -1.90 114.58 120.31 3m49 h GLU 232 Ca 0.20 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 3m49 h GLU 232 Cb -0.05 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.07 3m49 h GLU 232 CO -0.06 0.80 0.05 0.00 -0.73 0.00 0.00 179.01 179.07 3m49 h ALA 233 N 1.40 0.48 0.00 2.92 0.00 -0.23 -2.70 119.26 121.13 3m49 h ALA 233 Ca 0.31 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3m49 h ALA 233 Cb -0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3m49 h ALA 233 CO -0.06 0.19 -0.22 0.87 0.00 0.00 0.00 179.25 180.02 3m49 h LYS 234 N 0.43 0.00 0.00 0.00 1.57 -0.71 -2.59 116.57 115.28 3m49 h LYS 234 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3m49 h LYS 234 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3m49 h LYS 234 CO 0.01 0.22 0.00 0.00 -0.57 0.00 0.00 179.45 179.11 3m49 h ALA 235 N 1.78 1.00 -2.26 3.86 0.00 -1.02 -3.42 119.26 119.20 3m49 h ALA 235 Ca -0.00 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 3m49 h ALA 235 Cb 0.53 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.19 3m49 h ALA 235 CO 0.03 0.00 0.19 0.34 0.00 0.00 0.00 179.25 179.81 3m49 s ASP 236 N -4.59 6.42 0.10 0.00 3.68 -0.98 -4.92 116.67 116.39 3m49 s ASP 236 Ca 0.10 0.07 0.24 0.00 2.13 0.00 0.00 52.55 55.08 3m49 s ASP 236 Cb 0.12 -2.34 0.20 0.00 -1.45 0.00 0.00 42.92 39.44 3m49 s ASP 236 CO 0.58 -0.67 1.18 -0.62 0.13 0.00 0.00 175.17 175.77 3m49 n GLU 237 N 6.18 0.33 0.00 4.34 1.02 -1.26 -4.38 120.64 126.87 3m49 n GLU 237 Ca -0.00 0.05 0.07 0.00 -0.02 0.00 0.00 57.16 57.26 3m49 n GLU 237 Cb 0.48 -1.67 -0.08 0.00 -0.02 0.00 0.00 31.44 30.16 3m49 n GLU 237 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3m49 n LYS 238 N -2.12 1.91 -4.70 3.49 4.01 -1.26 -3.75 118.16 115.75 3m49 n LYS 238 Ca 0.02 -0.07 -0.23 0.00 -0.51 0.00 0.00 58.31 57.52 3m49 n LYS 238 Cb 0.45 -1.23 -0.15 0.00 -0.51 0.00 0.00 35.03 33.59 3m49 n LYS 238 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 3m49 s ARG 239 N -2.40 1.33 0.69 1.97 0.52 -1.26 -4.37 118.95 115.42 3m49 s ARG 239 Ca 0.06 -0.53 -0.16 0.00 -0.52 0.00 0.00 55.73 54.59 3m49 s ARG 239 Cb 0.12 -1.24 0.02 0.00 0.52 0.00 0.00 34.95 34.36 3m49 s ARG 239 CO 0.61 0.28 1.22 -1.25 0.02 0.00 0.00 175.30 176.17 3m49 s PRO 240 N -0.18 2.38 -0.06 3.54 0.04 -1.18 -4.18 135.00 135.36 3m49 s PRO 240 Ca 0.02 1.81 0.06 0.00 0.04 0.00 0.00 61.00 62.93 3m49 s PRO 240 Cb -0.08 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.60 3m49 s PRO 240 CO 0.00 -1.66 -0.25 0.99 0.04 0.00 0.00 177.00 176.12 3m49 s THR 241 N -1.82 2.04 -0.20 1.26 2.01 -0.66 -0.69 115.64 117.58 3m49 s THR 241 Ca 0.76 -1.06 -0.04 0.00 0.31 0.00 0.00 61.69 61.66 3m49 s THR 241 Cb -0.30 -1.72 -0.01 0.00 0.01 0.00 0.00 72.50 70.47 3m49 s THR 241 CO 0.42 0.57 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.65 3m49 s LEU 242 N -0.17 2.98 -0.39 4.42 2.96 0.29 -0.94 118.68 127.83 3m49 s LEU 242 Ca -0.03 -0.32 -0.12 0.00 -0.22 0.00 0.00 54.13 53.44 3m49 s LEU 242 Cb -0.14 -1.75 0.03 0.00 0.50 0.00 0.00 46.19 44.84 3m49 s LEU 242 CO 0.04 0.04 0.24 -0.63 -1.32 0.00 0.00 176.35 174.71 3m49 s ILE 243 N 1.14 4.76 -0.43 6.68 1.01 0.58 -1.29 121.20 133.65 3m49 s ILE 243 Ca 0.02 -0.84 -0.25 0.00 0.00 0.00 0.00 60.65 59.57 3m49 s ILE 243 Cb -0.15 -3.68 0.02 0.00 0.01 0.00 0.00 42.46 38.67 3m49 s ILE 243 CO -0.00 -0.28 0.90 -0.70 0.00 0.00 0.00 174.94 174.85 3m49 s GLU 244 N 1.58 3.62 -0.33 2.79 2.12 0.24 -0.43 118.70 128.29 3m49 s GLU 244 Ca 0.03 0.26 -0.09 0.00 0.36 0.00 0.00 54.97 55.53 3m49 s GLU 244 Cb -0.19 -3.89 0.01 0.00 0.26 0.00 0.00 34.13 30.33 3m49 s GLU 244 CO 0.07 -1.11 0.15 0.08 -0.54 0.00 0.00 175.26 173.91 3m49 s VAL 245 N 3.59 4.34 -0.46 3.70 1.01 0.38 -0.63 120.40 132.33 3m49 s VAL 245 Ca 0.36 -0.73 -0.29 0.00 0.00 0.00 0.00 61.98 61.33 3m49 s VAL 245 Cb -0.11 -3.32 0.03 0.00 0.00 0.00 0.00 36.38 32.97 3m49 s VAL 245 CO 0.23 -0.07 1.11 -0.13 0.00 0.00 0.00 175.10 176.25 3m49 s ARG 246 N 1.54 3.74 0.38 2.72 1.81 -0.38 -1.17 118.95 127.58 3m49 s ARG 246 Ca 0.02 0.58 0.06 0.00 -1.72 0.00 0.00 55.73 54.68 3m49 s ARG 246 Cb -0.18 -3.89 -0.07 0.00 -0.45 0.00 0.00 34.95 30.35 3m49 s ARG 246 CO 0.05 -1.32 0.01 0.95 -0.68 0.00 0.00 175.30 174.32 3m49 s THR 247 N 4.31 1.77 -0.27 0.02 -4.23 -0.81 -1.06 115.64 115.37 3m49 s THR 247 Ca 0.47 -2.02 -0.09 0.00 -1.18 0.00 0.00 61.69 58.87 3m49 s THR 247 Cb -0.08 -2.90 -0.03 0.00 1.34 0.00 0.00 72.50 70.83 3m49 s THR 247 CO 0.30 -0.03 0.13 -0.89 -0.54 0.00 0.00 174.62 173.59 3m49 s THR 248 N -2.89 4.71 0.38 3.99 2.01 -1.26 -4.26 115.64 118.33 3m49 s THR 248 Ca 0.35 -0.10 -0.27 0.00 0.31 0.00 0.00 61.69 61.98 3m49 s THR 248 Cb 0.09 -3.26 -0.10 0.00 0.01 0.00 0.00 72.50 69.24 3m49 s THR 248 CO 0.17 0.26 1.40 -0.51 -0.69 0.00 0.00 174.62 175.25 3m49 s ILE 249 N 1.67 2.32 -1.62 1.82 2.07 -1.26 -1.74 121.20 124.45 3m49 s ILE 249 Ca 0.06 0.31 -0.00 0.00 -1.41 0.00 0.00 60.65 59.61 3m49 s ILE 249 Cb -0.16 -3.19 0.00 0.00 0.13 0.00 0.00 42.46 39.24 3m49 s ILE 249 CO 0.07 0.06 0.05 0.61 -1.91 0.00 0.00 174.94 173.82 3m49 n GLY 250 N 0.60 -0.42 3.59 1.50 0.00 -0.43 -0.60 105.19 109.43 3m49 n GLY 250 Ca 0.02 -0.07 -0.51 0.00 0.00 0.00 0.00 46.02 45.46 3m49 n GLY 250 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3m49 n PHE 251 N -4.06 1.47 0.00 1.61 7.35 -0.71 -1.86 117.46 121.26 3m49 n PHE 251 Ca -0.22 0.64 0.00 0.00 -0.76 0.00 0.00 57.45 57.12 3m49 n PHE 251 Cb 0.67 -2.32 0.00 0.00 0.35 0.00 0.00 39.48 38.17 3m49 n PHE 251 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3m49 n GLY 252 N 2.43 2.01 3.63 7.13 0.00 -1.26 -4.75 105.19 114.38 3m49 n GLY 252 Ca 0.18 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 3m49 n GLY 252 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3m49 s SER 253 N 0.15 6.87 0.30 1.61 0.15 -0.78 -4.42 113.70 117.57 3m49 s SER 253 Ca 0.00 1.04 -0.02 0.00 0.70 0.00 0.00 55.95 57.67 3m49 s SER 253 Cb 0.00 -2.54 0.45 0.00 -1.71 0.00 0.00 66.02 62.22 3m49 s SER 253 CO 0.00 -0.94 1.96 -0.65 1.20 0.00 0.00 173.24 174.80 3m49 h PRO 254 N 8.38 1.08 0.00 5.44 0.11 -1.89 -1.47 132.00 143.65 3m49 h PRO 254 Ca -0.22 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3m49 h PRO 254 Cb 1.07 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.93 3m49 h PRO 254 CO 1.04 0.72 -1.94 0.09 -0.21 0.00 0.00 178.00 177.70 3m49 n ASN 255 N -4.42 0.06 -0.00 -2.05 3.02 -1.26 -4.51 115.26 106.10 3m49 n ASN 255 Ca 0.10 -0.04 0.03 0.00 -0.03 0.00 0.00 54.58 54.64 3m49 n ASN 255 Cb 0.06 1.93 -0.04 0.00 -0.61 0.00 0.00 39.78 41.12 3m49 n ASN 255 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3m49 n LYS 256 N -2.23 4.01 -1.98 3.52 5.02 -1.21 -4.96 118.16 120.33 3m49 n LYS 256 Ca -0.04 -0.01 -0.39 0.00 -2.02 0.00 0.00 58.31 55.85 3m49 n LYS 256 Cb 0.56 -0.86 0.00 0.00 -0.02 0.00 0.00 35.03 34.71 3m49 n LYS 256 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3m49 s SER 257 N -1.80 6.14 -0.03 4.39 1.04 -0.56 -1.95 113.70 120.93 3m49 s SER 257 Ca 0.01 2.72 0.00 0.00 0.48 0.00 0.00 55.95 59.17 3m49 s SER 257 Cb 0.04 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.52 3m49 s SER 257 CO 0.25 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 174.10 3m49 n GLY 258 N 0.63 0.34 3.25 7.32 0.00 0.23 -4.98 105.19 111.99 3m49 n GLY 258 Ca 0.04 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 3m49 n GLY 258 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m49 s LYS 259 N -0.81 1.04 0.59 1.61 1.02 -0.82 -4.95 119.74 117.43 3m49 s LYS 259 Ca 0.00 -1.18 0.39 0.00 0.02 0.00 0.00 55.97 55.20 3m49 s LYS 259 Cb 0.00 -1.08 1.94 0.00 -0.52 0.00 0.00 37.83 38.17 3m49 s LYS 259 CO 0.00 0.23 2.18 0.66 -0.92 0.00 0.00 175.35 177.50 3m49 h SER 260 N 3.81 0.00 -0.44 2.83 4.64 -1.84 -1.67 113.55 120.87 3m49 h SER 260 Ca -0.42 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.03 3m49 h SER 260 Cb 1.19 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 3m49 h SER 260 CO 0.45 0.00 0.33 0.00 -0.87 0.00 0.00 176.83 176.74 3m49 h ALA 261 N 2.01 2.39 -0.00 5.18 0.00 -1.89 -0.54 119.26 126.41 3m49 h ALA 261 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3m49 h ALA 261 Cb 0.19 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3m49 h ALA 261 CO 0.00 -0.56 -0.20 -1.13 0.00 0.00 0.00 179.25 177.36 3m49 n SER 262 N -4.33 0.22 0.10 0.00 3.41 -0.63 -4.28 113.62 108.11 3m49 n SER 262 Ca 0.08 0.16 -0.13 0.00 -0.26 0.00 0.00 58.87 58.71 3m49 n SER 262 Cb 0.53 -0.18 -0.08 0.00 -0.26 0.00 0.00 64.21 64.22 3m49 n SER 262 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 3m49 h HIS 263 N 0.02 -0.21 0.00 7.33 6.17 -1.22 0.54 115.15 127.77 3m49 h HIS 263 Ca 0.00 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 3m49 h HIS 263 Cb 0.49 0.07 0.00 0.00 2.52 0.00 0.00 27.41 30.49 3m49 h HIS 263 CO 0.00 0.01 -0.11 0.41 0.71 0.00 0.00 177.93 178.95 3m49 n GLY 264 N -0.71 0.81 3.35 5.26 0.00 -1.26 -3.75 105.19 108.89 3m49 n GLY 264 Ca -0.09 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 3m49 n GLY 264 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3m49 s SER 265 N -1.01 0.03 0.47 1.61 1.04 -1.08 -4.54 113.70 110.21 3m49 s SER 265 Ca 0.06 -0.86 -0.24 0.00 0.48 0.00 0.00 55.95 55.39 3m49 s SER 265 Cb 0.05 0.44 -0.08 0.00 0.10 0.00 0.00 66.02 66.53 3m49 s SER 265 CO 0.01 -0.90 1.20 -2.65 0.98 0.00 0.00 173.24 171.87 3m49 n PRO 266 N -0.22 1.65 -0.32 4.02 -0.02 -1.26 -4.43 135.00 134.41 3m49 n PRO 266 Ca -0.07 0.59 0.05 0.00 -2.02 0.00 0.00 63.50 62.05 3m49 n PRO 266 Cb 0.63 -2.32 0.24 0.00 -0.02 0.00 0.00 33.50 32.02 3m49 n PRO 266 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3m49 h LEU 267 N 1.67 0.92 0.00 2.45 3.38 -1.94 -3.49 115.31 118.30 3m49 h LEU 267 Ca -0.48 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3m49 h LEU 267 Cb 1.31 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3m49 h LEU 267 CO 0.58 0.57 0.00 0.61 0.09 0.00 0.00 178.44 180.28 3m49 n GLY 268 N -1.38 2.51 0.20 0.83 0.00 -1.26 -4.53 105.19 101.55 3m49 n GLY 268 Ca 0.15 -1.92 -0.15 0.00 0.00 0.00 0.00 46.02 44.10 3m49 n GLY 268 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3m49 h VAL 269 N 0.00 0.68 -0.33 1.61 2.07 -1.99 0.02 116.25 118.31 3m49 h VAL 269 Ca 0.00 -0.02 -0.14 0.00 0.82 0.00 0.00 66.70 67.35 3m49 h VAL 269 Cb 0.00 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3m49 h VAL 269 CO 0.00 0.01 -0.35 -0.33 0.02 0.00 0.00 177.57 176.91 3m49 h GLU 270 N -0.45 0.83 -0.56 1.57 4.39 -2.00 -2.48 114.58 115.87 3m49 h GLU 270 Ca -0.04 -0.44 -0.04 0.00 0.34 0.00 0.00 59.36 59.17 3m49 h GLU 270 Cb 0.35 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 3m49 h GLU 270 CO 0.07 1.08 0.20 1.49 -1.16 0.00 0.00 179.01 180.69 3m49 h GLU 271 N 0.61 0.83 -0.54 2.33 4.57 -1.78 -1.56 114.58 119.04 3m49 h GLU 271 Ca 0.05 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 3m49 h GLU 271 Cb 0.94 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.36 3m49 h GLU 271 CO 0.09 0.71 0.34 1.15 -1.18 0.00 0.00 179.01 180.12 3m49 h THR 272 N 0.82 1.15 -0.60 0.32 2.02 -0.80 0.13 112.91 115.94 3m49 h THR 272 Ca 0.19 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 3m49 h THR 272 Cb 0.21 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 3m49 h THR 272 CO -0.01 0.15 0.30 0.11 0.37 0.00 0.00 175.52 176.43 3m49 h LYS 273 N 0.73 0.86 -0.23 6.66 1.57 -0.98 -0.81 116.57 124.38 3m49 h LYS 273 Ca 0.20 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 3m49 h LYS 273 Cb -0.05 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 3m49 h LYS 273 CO -0.04 0.69 -0.07 -0.07 -0.57 0.00 0.00 179.45 179.39 3m49 h LEU 274 N 0.82 0.34 -0.13 2.94 3.38 -0.96 -1.53 115.31 120.16 3m49 h LEU 274 Ca 0.21 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 3m49 h LEU 274 Cb 0.11 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3m49 h LEU 274 CO -0.03 0.45 -0.19 0.74 0.09 0.00 0.00 178.44 179.51 3m49 h THR 275 N 0.34 1.37 -0.82 0.22 2.02 -0.56 -1.38 112.91 114.09 3m49 h THR 275 Ca 0.07 -1.41 0.04 0.00 0.77 0.00 0.00 66.41 65.87 3m49 h THR 275 Cb 0.35 1.99 -0.05 0.00 -1.74 0.00 0.00 68.15 68.70 3m49 h THR 275 CO 0.02 0.41 0.53 0.11 0.37 0.00 0.00 175.52 176.96 3m49 h LYS 276 N -0.05 0.99 -0.77 6.66 1.57 -0.99 -0.34 116.57 123.64 3m49 h LYS 276 Ca 0.01 -0.06 0.10 0.00 -1.87 0.00 0.00 60.65 58.83 3m49 h LYS 276 Cb 0.75 -0.22 -0.07 0.00 0.08 0.00 0.00 32.23 32.76 3m49 h LYS 276 CO 0.04 0.65 0.41 1.49 -0.57 0.00 0.00 179.45 181.48 3m49 h GLU 277 N 1.02 0.67 -0.11 3.15 4.81 -1.18 0.14 114.58 123.07 3m49 h GLU 277 Ca 0.33 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.44 3m49 h GLU 277 Cb 0.03 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 3m49 h GLU 277 CO -0.12 0.44 -0.30 0.00 -0.73 0.00 0.00 179.01 178.30 3m49 h ALA 278 N 1.45 1.28 0.00 2.92 0.00 0.05 -1.26 119.26 123.70 3m49 h ALA 278 Ca 0.38 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3m49 h ALA 278 Cb 0.39 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3m49 h ALA 278 CO -0.27 0.49 0.00 0.66 0.00 0.00 0.00 179.25 180.13 3m49 n TYR 279 N -4.13 0.00 -3.96 0.00 4.01 -0.43 -4.88 117.16 107.78 3m49 n TYR 279 Ca -0.01 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.42 3m49 n TYR 279 Cb 0.39 -0.14 0.02 0.00 -0.31 0.00 0.00 39.34 39.30 3m49 n TYR 279 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3m49 n ALA 280 N -1.14 -1.34 -2.57 -0.72 0.00 -0.47 -4.94 120.51 109.33 3m49 n ALA 280 Ca 0.16 0.13 -0.41 0.00 0.00 0.00 0.00 53.44 53.32 3m49 n ALA 280 Cb 0.15 -4.11 -0.08 0.00 0.00 0.00 0.00 19.45 15.42 3m49 n ALA 280 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3m49 s TRP 281 N -3.34 3.19 -0.87 0.00 -0.11 0.41 -4.95 118.94 113.27 3m49 s TRP 281 Ca 0.63 0.27 0.22 0.00 1.22 0.00 0.00 56.10 58.43 3m49 s TRP 281 Cb -0.32 -2.92 -0.09 0.00 -1.50 0.00 0.00 33.47 28.64 3m49 s TRP 281 CO 0.85 -0.51 0.96 0.25 -4.62 0.00 0.00 176.95 173.87 3m49 n THR 282 N 5.41 0.02 -1.84 5.86 -2.24 -1.26 -4.44 114.28 115.78 3m49 n THR 282 Ca -0.04 -0.07 -0.42 0.00 -2.27 0.00 0.00 64.05 61.25 3m49 n THR 282 Cb 0.49 0.70 -0.03 0.00 -2.10 0.00 0.00 70.33 69.39 3m49 n THR 282 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3m49 s ALA 283 N -3.07 3.83 -0.07 6.98 0.00 -1.26 -4.92 121.76 123.25 3m49 s ALA 283 Ca 0.07 1.47 0.13 0.00 0.00 0.00 0.00 51.96 53.63 3m49 s ALA 283 Cb 0.16 -3.65 -0.10 0.00 0.00 0.00 0.00 23.12 19.53 3m49 s ALA 283 CO 0.84 -0.85 1.12 0.93 0.00 0.00 0.00 175.76 177.80 3m49 h GLU 284 N 6.47 0.00 -6.38 0.00 5.08 -2.04 -3.46 114.58 114.25 3m49 h GLU 284 Ca -0.43 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.38 3m49 h GLU 284 Cb 1.21 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 3m49 h GLU 284 CO 0.91 0.56 -0.03 -0.65 -1.00 0.00 0.00 179.01 178.79 3m49 s GLN 285 N -2.84 4.06 0.68 2.33 -1.52 -1.26 -5.07 119.66 116.04 3m49 s GLN 285 Ca 0.00 0.60 -0.15 0.00 -1.95 0.00 0.00 55.36 53.87 3m49 s GLN 285 Cb 0.08 -2.94 0.01 0.00 -0.22 0.00 0.00 33.01 29.95 3m49 s GLN 285 CO 0.79 0.47 1.13 -0.51 -0.25 0.00 0.00 175.29 176.92 3m49 s ASP 286 N -1.66 4.90 -1.45 5.90 -0.00 -1.26 -3.72 116.67 119.38 3m49 s ASP 286 Ca 0.38 2.05 -0.04 0.00 -0.00 0.00 0.00 52.55 54.95 3m49 s ASP 286 Cb -0.16 -2.56 0.00 0.00 -0.00 0.00 0.00 42.92 40.21 3m49 s ASP 286 CO 0.20 -1.77 0.50 0.49 -0.00 0.00 0.00 175.17 174.58 3m49 n PHE 287 N -2.53 -1.70 -2.80 4.23 3.72 -1.26 -4.96 117.46 112.16 3m49 n PHE 287 Ca 0.11 0.42 -0.41 0.00 -0.05 0.00 0.00 57.45 57.52 3m49 n PHE 287 Cb 0.52 -4.16 -0.03 0.00 -0.94 0.00 0.00 39.48 34.86 3m49 n PHE 287 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3m49 s HIS 288 N -3.11 3.61 -0.07 1.38 5.65 -1.24 -5.05 115.29 116.46 3m49 s HIS 288 Ca 0.25 1.56 0.01 0.00 0.25 0.00 0.00 55.06 57.13 3m49 s HIS 288 Cb -0.11 -3.04 0.02 0.00 -1.18 0.00 0.00 32.58 28.27 3m49 s HIS 288 CO 0.30 -0.02 -0.10 0.08 -0.65 0.00 0.00 174.74 174.36 3m49 s VAL 289 N 1.10 1.00 0.36 0.89 1.01 -1.26 -4.89 120.40 118.61 3m49 s VAL 289 Ca 0.47 -0.37 -0.26 0.00 0.00 0.00 0.00 61.98 61.82 3m49 s VAL 289 Cb -0.20 -0.96 -0.09 0.00 0.00 0.00 0.00 36.38 35.14 3m49 s VAL 289 CO 0.24 0.34 1.13 0.00 0.00 0.00 0.00 175.10 176.80 3m49 s ALA 290 N 0.98 3.22 0.37 5.51 0.00 -1.26 -4.93 121.76 125.64 3m49 s ALA 290 Ca -0.09 0.89 0.07 0.00 0.00 0.00 0.00 51.96 52.84 3m49 s ALA 290 Cb -0.15 -3.34 0.79 0.00 0.00 0.00 0.00 23.12 20.42 3m49 s ALA 290 CO 0.00 -0.36 1.94 1.49 0.00 0.00 0.00 175.76 178.83 3m49 h GLU 291 N 2.95 0.69 0.00 0.00 4.57 -2.00 -1.18 114.58 119.60 3m49 h GLU 291 Ca -0.48 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 57.64 3m49 h GLU 291 Cb 1.22 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 29.66 3m49 h GLU 291 CO 0.64 0.45 -0.09 1.05 -1.18 0.00 0.00 179.01 179.88 3m49 h GLU 292 N 0.71 0.00 -0.02 1.92 4.11 -1.99 -0.58 114.58 118.74 3m49 h GLU 292 Ca 0.34 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.77 3m49 h GLU 292 Cb 0.41 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 3m49 h GLU 292 CO -0.13 0.09 -0.02 0.28 0.07 0.00 0.00 179.01 179.31 3m49 h VAL 293 N 0.00 1.40 -0.99 -1.06 2.07 -1.60 -0.78 116.25 115.29 3m49 h VAL 293 Ca -0.00 -1.20 0.17 0.00 0.82 0.00 0.00 66.70 66.49 3m49 h VAL 293 Cb 0.32 2.17 -0.10 0.00 -1.52 0.00 0.00 31.29 32.17 3m49 h VAL 293 CO 0.01 0.32 0.62 1.88 0.02 0.00 0.00 177.57 180.42 3m49 h TYR 294 N -0.44 1.03 -0.36 1.57 0.05 -1.29 -1.88 116.97 115.65 3m49 h TYR 294 Ca 0.00 0.03 -0.16 0.00 0.05 0.00 0.00 58.73 58.66 3m49 h TYR 294 Cb 0.53 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 3m49 h TYR 294 CO 0.10 0.29 -0.40 1.49 -1.05 0.00 0.00 178.16 178.59 3m49 h GLU 295 N 0.79 0.88 -0.40 4.88 4.57 -1.01 0.12 114.58 124.40 3m49 h GLU 295 Ca 0.54 -0.47 0.07 0.00 -1.18 0.00 0.00 59.36 58.33 3m49 h GLU 295 Cb 0.81 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.35 3m49 h GLU 295 CO -0.32 1.11 0.01 -0.97 -1.18 0.00 0.00 179.01 177.66 3m49 h ASN 296 N 0.71 -0.15 0.14 1.04 -1.24 -0.46 -0.55 115.58 115.08 3m49 h ASN 296 Ca 0.06 0.09 -0.12 0.00 0.71 0.00 0.00 56.30 57.03 3m49 h ASN 296 Cb 0.98 0.16 -0.01 0.00 0.73 0.00 0.00 38.32 40.18 3m49 h ASN 296 CO 0.09 -0.04 -0.43 -0.26 -1.29 0.00 0.00 177.43 175.51 3m49 h PHE 297 N 0.12 0.44 -0.46 0.67 0.04 -1.08 -1.78 116.94 114.89 3m49 h PHE 297 Ca 0.20 -0.13 -0.00 0.00 2.80 0.00 0.00 57.97 60.84 3m49 h PHE 297 Cb 0.28 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 3m49 h PHE 297 CO -0.26 0.74 0.28 -0.09 -0.60 0.00 0.00 178.31 178.38 3m49 h ARG 298 N 0.30 0.63 -0.16 1.51 2.43 -0.05 0.17 114.38 119.20 3m49 h ARG 298 Ca 0.02 -0.06 -0.19 0.00 -0.81 0.00 0.00 59.98 58.94 3m49 h ARG 298 Cb 0.89 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 30.31 3m49 h ARG 298 CO 0.07 0.47 -0.66 0.87 -1.51 0.00 0.00 179.97 179.21 3m49 h LYS 299 N 0.61 0.73 0.00 0.20 1.57 -0.99 -0.23 116.57 118.47 3m49 h LYS 299 Ca 0.17 -0.57 -0.14 0.00 -1.87 0.00 0.00 60.65 58.24 3m49 h LYS 299 Cb 0.00 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3m49 h LYS 299 CO -0.03 1.19 -1.03 1.79 -0.57 0.00 0.00 179.45 180.80 3m49 h THR 300 N 0.45 0.66 0.00 -0.16 1.35 -1.22 -3.33 112.91 110.66 3m49 h THR 300 Ca -0.04 -2.09 -0.01 0.00 -0.55 0.00 0.00 66.41 63.73 3m49 h THR 300 Cb 1.29 2.19 -0.00 0.00 -1.73 0.00 0.00 68.15 69.90 3m49 h THR 300 CO 0.14 0.38 -0.34 0.52 -0.25 0.00 0.00 175.52 175.96 3m49 n VAL 301 N -3.03 1.26 0.04 6.82 0.31 0.56 -4.53 118.33 119.76 3m49 n VAL 301 Ca -0.04 0.31 -0.12 0.00 -0.01 0.00 0.00 64.34 64.47 3m49 n VAL 301 Cb 0.79 -1.79 -0.08 0.00 -0.91 0.00 0.00 33.84 31.86 3m49 n VAL 301 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 3m49 h GLN 302 N -0.27 -0.05 -0.45 5.55 4.20 -1.25 0.96 115.11 123.80 3m49 h GLN 302 Ca -0.01 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.63 3m49 h GLN 302 Cb 0.33 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 3m49 h GLN 302 CO -0.01 0.08 0.01 -0.44 -0.67 0.00 0.00 178.83 177.81 3m49 h ASP 303 N -0.17 0.77 -0.27 1.46 3.32 -1.20 -0.41 116.42 119.92 3m49 h ASP 303 Ca -0.00 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 56.73 3m49 h ASP 303 Cb 0.15 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3m49 h ASP 303 CO 0.01 0.88 0.11 0.58 -1.72 0.00 0.00 179.24 179.11 3m49 h VAL 304 N 0.64 1.16 -0.57 -1.35 2.07 -1.66 -2.08 116.25 114.47 3m49 h VAL 304 Ca 0.13 -0.49 -0.10 0.00 0.82 0.00 0.00 66.70 67.05 3m49 h VAL 304 Cb 0.48 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3m49 h VAL 304 CO 0.02 0.17 -0.05 1.23 0.02 0.00 0.00 177.57 178.96 3m49 h GLY 305 N 0.29 1.10 0.98 2.17 0.00 -0.66 -0.87 103.07 106.09 3m49 h GLY 305 Ca 0.09 -0.84 -0.03 0.00 0.00 0.00 0.00 47.33 46.55 3m49 h GLY 305 CO -0.01 0.77 0.23 0.83 0.00 0.00 0.00 176.54 178.36 3m49 h GLU 306 N 0.92 0.81 -0.45 4.80 5.08 -1.02 -0.09 114.58 124.64 3m49 h GLU 306 Ca 0.16 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 3m49 h GLU 306 Cb 0.60 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 3m49 h GLU 306 CO 0.04 0.70 0.27 1.15 -1.00 0.00 0.00 179.01 180.17 3m49 h THR 307 N 0.74 1.06 -0.52 1.13 2.02 -1.26 -0.94 112.91 115.15 3m49 h THR 307 Ca 0.18 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 3m49 h THR 307 Cb 0.19 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 3m49 h THR 307 CO -0.02 0.10 0.26 0.00 0.37 0.00 0.00 175.52 176.23 3m49 h ALA 308 N 1.19 0.67 -0.40 6.16 0.00 -0.91 -1.25 119.26 124.71 3m49 h ALA 308 Ca 0.17 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 3m49 h ALA 308 Cb -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3m49 h ALA 308 CO -0.07 0.21 -0.21 0.37 0.00 0.00 0.00 179.25 179.55 3m49 h GLN 309 N 0.69 0.79 -0.31 0.00 4.15 -0.82 -0.74 115.11 118.86 3m49 h GLN 309 Ca 0.18 -0.31 -0.01 0.00 0.77 0.00 0.00 58.65 59.28 3m49 h GLN 309 Cb 0.10 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 3m49 h GLN 309 CO -0.02 0.93 0.16 0.00 -1.93 0.00 0.00 178.83 177.97 3m49 h ALA 310 N 1.07 0.40 -0.69 3.38 0.00 -0.94 0.13 119.26 122.61 3m49 h ALA 310 Ca 0.10 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3m49 h ALA 310 Cb 0.72 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3m49 h ALA 310 CO 0.06 -0.05 0.27 0.93 0.00 0.00 0.00 179.25 180.45 3m49 h GLU 311 N 0.38 1.03 -0.54 0.00 5.08 -1.06 -0.84 114.58 118.62 3m49 h GLU 311 Ca 0.11 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 3m49 h GLU 311 Cb 0.09 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3m49 h GLU 311 CO -0.02 0.84 -0.00 2.35 -1.00 0.00 0.00 179.01 181.19 3m49 h TRP 312 N 1.00 1.05 -0.73 4.33 7.01 -0.79 -2.96 115.95 124.86 3m49 h TRP 312 Ca 0.23 -0.18 -0.02 0.00 2.11 0.00 0.00 58.89 61.03 3m49 h TRP 312 Cb 0.21 -0.27 -0.03 0.00 -2.10 0.00 0.00 29.16 26.96 3m49 h TRP 312 CO 0.02 0.96 0.36 -0.91 -2.79 0.00 0.00 178.44 176.08 3m49 h ASN 313 N 0.84 0.95 0.00 2.65 2.35 -0.35 -0.03 115.58 121.99 3m49 h ASN 313 Ca 0.15 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3m49 h ASN 313 Cb 0.54 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.67 3m49 h ASN 313 CO 0.03 0.81 0.00 0.41 -1.65 0.00 0.00 177.43 177.02 3m49 n THR 314 N -4.42 0.03 0.00 2.81 -1.04 -0.35 -1.75 114.28 109.55 3m49 n THR 314 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 3m49 n THR 314 Cb 0.12 -0.23 0.00 0.00 -1.82 0.00 0.00 70.33 68.41 3m49 n THR 314 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3m49 n LEU 316 N 0.63 0.00 -0.13 -4.42 7.94 -0.03 -2.17 117.00 118.83 3m49 n LEU 316 Ca 0.00 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.81 3m49 n LEU 316 Cb 0.03 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.98 3m49 n LEU 316 CO 0.00 0.00 0.96 1.23 -1.11 0.00 0.00 177.39 178.47 3m49 h GLY 317 N 0.00 0.60 1.02 -3.96 0.00 -1.60 -0.85 103.07 98.27 3m49 h GLY 317 Ca 0.00 -0.28 -0.08 0.00 0.00 0.00 0.00 47.33 46.96 3m49 h GLY 317 CO 0.00 0.27 0.00 0.83 0.00 0.00 0.00 176.54 177.64 3m49 h GLU 318 N 0.50 0.90 -0.60 4.80 5.08 -1.72 -2.51 114.58 121.03 3m49 h GLU 318 Ca 0.14 -0.29 0.07 0.00 -1.00 0.00 0.00 59.36 58.28 3m49 h GLU 318 Cb 0.09 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.20 3m49 h GLU 318 CO -0.02 0.93 0.29 -0.92 -1.00 0.00 0.00 179.01 178.29 3m49 h TYR 319 N 0.77 0.53 0.00 4.33 3.20 -1.80 -1.28 116.97 122.72 3m49 h TYR 319 Ca 0.15 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.98 3m49 h TYR 319 Cb 0.52 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 3m49 h TYR 319 CO 0.04 0.22 -0.27 0.00 -1.64 0.00 0.00 178.16 176.52 3m49 h ALA 320 N 1.35 1.44 -0.15 1.82 0.00 -0.84 0.21 119.26 123.10 3m49 h ALA 320 Ca 0.28 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 3m49 h ALA 320 Cb 0.24 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.00 3m49 h ALA 320 CO -0.22 0.33 -0.70 0.37 0.00 0.00 0.00 179.25 179.03 3m49 h GLN 321 N 0.00 0.74 -0.00 0.00 5.75 -0.94 -2.96 115.11 117.70 3m49 h GLN 321 Ca -0.00 -0.60 -0.21 0.00 -0.15 0.00 0.00 58.65 57.69 3m49 h GLN 321 Cb 0.51 0.12 -0.00 0.00 1.07 0.00 0.00 27.48 29.17 3m49 h GLN 321 CO 0.03 1.21 -0.90 0.00 -2.65 0.00 0.00 178.83 176.52 3m49 h ALA 322 N 0.54 0.45 -2.08 3.38 0.00 -0.65 -3.39 119.26 117.52 3m49 h ALA 322 Ca -0.05 -0.71 -0.57 0.00 0.00 0.00 0.00 54.91 53.59 3m49 h ALA 322 Cb 1.34 -0.05 -0.39 0.00 0.00 0.00 0.00 17.79 18.69 3m49 h ALA 322 CO 0.15 0.85 -1.02 0.66 0.00 0.00 0.00 179.25 179.89 3m49 n TYR 323 N -3.71 0.15 -0.24 0.00 4.02 0.69 -4.99 117.16 113.08 3m49 n TYR 323 Ca -0.05 -3.62 -0.06 0.00 -0.01 0.00 0.00 57.90 54.16 3m49 n TYR 323 Cb 0.81 -0.32 0.05 0.00 -0.02 0.00 0.00 39.34 39.86 3m49 n TYR 323 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3m49 h PRO 324 N 4.20 0.91 -0.15 -0.72 0.11 -1.72 0.53 132.00 135.17 3m49 h PRO 324 Ca 0.11 -0.08 -0.18 0.00 0.11 0.00 0.00 66.00 65.96 3m49 h PRO 324 Cb 0.85 -0.19 0.01 0.00 0.11 0.00 0.00 31.00 31.78 3m49 h PRO 324 CO 0.50 0.64 -0.60 0.93 -0.21 0.00 0.00 178.00 179.27 3m49 h GLU 325 N 0.92 0.66 -0.22 1.05 5.08 -1.94 -0.99 114.58 119.14 3m49 h GLU 325 Ca 0.24 -0.52 0.01 0.00 -1.00 0.00 0.00 59.36 58.10 3m49 h GLU 325 Cb -0.04 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3m49 h GLU 325 CO -0.05 1.14 0.10 1.25 -1.00 0.00 0.00 179.01 180.45 3m49 h LEU 326 N 0.34 0.15 -1.34 1.33 5.85 -1.93 -0.84 115.31 118.87 3m49 h LEU 326 Ca -0.03 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 3m49 h LEU 326 Cb 1.23 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 3m49 h LEU 326 CO 0.12 0.12 0.09 0.00 -0.34 0.00 0.00 178.44 178.43 3m49 h ALA 327 N 1.11 1.47 -0.23 1.25 0.00 -0.83 -0.49 119.26 121.55 3m49 h ALA 327 Ca 0.09 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 3m49 h ALA 327 Cb 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3m49 h ALA 327 CO -0.07 0.39 -0.61 -0.97 0.00 0.00 0.00 179.25 178.00 3m49 h ASN 328 N 0.53 0.89 -0.53 0.00 -0.73 -0.83 -1.33 115.58 113.58 3m49 h ASN 328 Ca 0.12 -0.50 -0.01 0.00 1.87 0.00 0.00 56.30 57.78 3m49 h ASN 328 Cb 0.21 -0.26 -0.03 0.00 0.27 0.00 0.00 38.32 38.52 3m49 h ASN 328 CO -0.00 1.29 0.29 -0.08 -0.37 0.00 0.00 177.43 178.56 3m49 h GLU 329 N 0.59 0.74 -0.43 6.67 4.81 -0.66 -2.11 114.58 124.19 3m49 h GLU 329 Ca -0.00 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3m49 h GLU 329 Cb 1.21 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 3m49 h GLU 329 CO 0.13 0.57 0.28 1.25 -0.73 0.00 0.00 179.01 180.50 3m49 h LEU 330 N 0.71 0.50 -0.57 1.64 5.85 -0.96 0.14 115.31 122.62 3m49 h LEU 330 Ca 0.19 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.90 3m49 h LEU 330 Cb 0.04 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 3m49 h LEU 330 CO -0.03 0.37 0.36 -0.61 -0.34 0.00 0.00 178.44 178.19 3m49 h GLN 331 N 0.58 0.70 -0.08 1.25 5.75 -1.15 -2.56 115.11 119.59 3m49 h GLN 331 Ca 0.16 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.61 3m49 h GLN 331 Cb -0.05 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 28.33 3m49 h GLN 331 CO -0.03 0.46 0.05 0.00 -2.65 0.00 0.00 178.83 176.66 3m49 h ALA 332 N 1.24 0.10 0.00 3.38 0.00 -1.12 -2.12 119.26 120.74 3m49 h ALA 332 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3m49 h ALA 332 Cb -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3m49 h ALA 332 CO -0.08 -0.39 0.00 0.00 0.00 0.00 0.00 179.25 178.78 3m49 n ALA 333 N -2.12 1.39 0.00 0.00 0.00 0.01 -1.44 120.51 118.35 3m49 n ALA 333 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3m49 n ALA 333 Cb 0.04 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.40 3m49 n ALA 333 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3m49 n ASN 335 N 1.13 0.00 -1.39 0.00 3.02 -0.80 -3.56 115.26 113.66 3m49 n ASN 335 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.42 3m49 n ASN 335 Cb 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 3m49 n ASN 335 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3m49 n GLY 336 N 0.00 0.01 3.72 7.41 0.00 -0.64 -5.01 105.19 110.67 3m49 n GLY 336 Ca 0.00 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 3m49 n GLY 336 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m49 s LEU 337 N -3.56 4.25 0.20 0.99 1.43 -0.52 -5.07 118.68 116.39 3m49 s LEU 337 Ca 0.00 0.67 -0.25 0.00 -1.03 0.00 0.00 54.13 53.52 3m49 s LEU 337 Cb 0.00 -2.57 -0.08 0.00 0.03 0.00 0.00 46.19 43.57 3m49 s LEU 337 CO 0.00 0.02 0.80 -0.76 0.23 0.00 0.00 176.35 176.63 3m49 s LEU 338 N 0.69 4.54 0.38 1.79 1.43 -1.26 -4.54 118.68 121.70 3m49 s LEU 338 Ca 0.22 1.65 -0.28 0.00 -1.03 0.00 0.00 54.13 54.69 3m49 s LEU 338 Cb -0.14 -3.43 -0.10 0.00 0.03 0.00 0.00 46.19 42.54 3m49 s LEU 338 CO 0.08 0.15 1.44 -2.84 0.23 0.00 0.00 176.35 175.41 3m49 s PRO 339 N -1.37 4.07 0.09 1.29 0.02 -1.26 -4.86 135.00 132.98 3m49 s PRO 339 Ca 0.39 2.47 -0.35 0.00 0.02 0.00 0.00 61.00 63.53 3m49 s PRO 339 Cb -0.22 -2.92 -0.14 0.00 0.02 0.00 0.00 34.50 31.24 3m49 s PRO 339 CO 0.26 -0.53 1.60 -1.91 -0.33 0.00 0.00 177.00 176.09 3m49 n GLU 340 N 0.39 1.98 -0.89 5.54 4.07 -1.26 -1.69 120.64 128.78 3m49 n GLU 340 Ca 0.02 0.72 0.00 0.00 -0.06 0.00 0.00 57.16 57.83 3m49 n GLU 340 Cb 0.40 -2.48 0.00 0.00 -0.06 0.00 0.00 31.44 29.30 3m49 n GLU 340 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3m49 n GLY 341 N 3.48 0.61 0.34 8.31 0.00 -1.26 -4.92 105.19 111.75 3m49 n GLY 341 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 3m49 n GLY 341 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 3m49 h TRP 342 N 0.00 0.33 0.00 1.61 5.08 -1.64 -1.89 115.95 119.44 3m49 h TRP 342 Ca 0.00 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.98 3m49 h TRP 342 Cb 0.00 -0.11 0.00 0.00 -3.00 0.00 0.00 29.16 26.05 3m49 h TRP 342 CO 0.00 0.17 0.00 1.05 -1.28 0.00 0.00 178.44 178.38 3m49 h GLU 343 N 0.33 0.00 0.00 0.12 9.09 -1.91 -2.96 114.58 119.25 3m49 h GLU 343 Ca 0.22 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.63 3m49 h GLU 343 Cb 0.43 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.53 3m49 h GLU 343 CO -0.05 0.00 0.00 1.96 0.05 0.00 0.00 179.01 180.97 3m49 h GLN 344 N 0.00 0.00 -0.00 1.06 1.08 -1.75 -1.66 115.11 113.84 3m49 h GLN 344 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3m49 h GLN 344 Cb 0.64 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.07 3m49 h GLN 344 CO 0.00 0.00 -0.03 -1.71 -0.95 0.00 0.00 178.83 176.14 3m49 n ASN 345 N -2.51 0.07 -4.82 1.46 5.15 -1.12 -4.94 115.26 108.55 3m49 n ASN 345 Ca -0.00 -0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.65 3m49 n ASN 345 Cb 0.14 -0.31 -0.05 0.00 -0.53 0.00 0.00 39.78 39.03 3m49 n ASN 345 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3m49 s LEU 346 N -2.70 3.85 0.84 1.20 1.43 -0.63 -4.89 118.68 117.77 3m49 s LEU 346 Ca 0.24 1.71 -0.11 0.00 -1.03 0.00 0.00 54.13 54.93 3m49 s LEU 346 Cb 0.20 -4.54 0.09 0.00 0.03 0.00 0.00 46.19 41.97 3m49 s LEU 346 CO 0.49 -0.51 1.09 -2.16 0.23 0.00 0.00 176.35 175.50 3m49 s PRO 347 N -3.40 1.76 -0.03 1.29 0.05 -1.26 -5.09 135.00 128.33 3m49 s PRO 347 Ca 0.62 0.82 0.01 0.00 0.05 0.00 0.00 61.00 62.51 3m49 s PRO 347 Cb -0.11 -1.87 0.01 0.00 0.05 0.00 0.00 34.50 32.59 3m49 s PRO 347 CO 0.19 -1.89 -0.04 0.99 0.05 0.00 0.00 177.00 176.30 3m49 s THR 348 N -3.01 0.40 -0.21 1.26 2.01 -1.26 -4.98 115.64 109.86 3m49 s THR 348 Ca 0.62 -0.10 -0.12 0.00 0.31 0.00 0.00 61.69 62.39 3m49 s THR 348 Cb -0.16 -0.42 -0.05 0.00 0.01 0.00 0.00 72.50 71.88 3m49 s THR 348 CO 0.56 0.17 0.22 -0.31 -0.69 0.00 0.00 174.62 174.57 3m49 s TYR 349 N 0.59 3.38 0.41 4.92 2.02 -1.26 -5.07 117.35 122.34 3m49 s TYR 349 Ca -0.07 0.40 -0.17 0.00 -0.37 0.00 0.00 57.07 56.86 3m49 s TYR 349 Cb -0.10 -2.30 -0.09 0.00 -0.40 0.00 0.00 41.96 39.07 3m49 s TYR 349 CO -0.00 0.15 0.87 -1.21 -1.57 0.00 0.00 175.55 173.79 3m49 s GLU 350 N 0.78 4.06 0.51 -0.62 0.41 -1.26 -4.90 118.70 117.68 3m49 s GLU 350 Ca 0.11 0.88 -0.22 0.00 -0.41 0.00 0.00 54.97 55.34 3m49 s GLU 350 Cb -0.13 -2.27 -0.07 0.00 -1.78 0.00 0.00 34.13 29.88 3m49 s GLU 350 CO 0.03 -0.03 1.10 1.28 -0.49 0.00 0.00 175.26 177.15 3m49 n LEU 351 N -0.83 3.79 -0.48 1.80 4.77 -1.26 -2.36 117.00 122.43 3m49 n LEU 351 Ca 0.05 0.95 -0.05 0.00 -0.03 0.00 0.00 56.01 56.93 3m49 n LEU 351 Cb 0.54 -1.43 -0.01 0.00 -2.33 0.00 0.00 43.42 40.18 3m49 n LEU 351 CO 0.41 -1.33 -0.06 0.61 -1.33 0.00 0.00 177.39 175.70 3m49 n GLY 352 N 1.09 0.50 3.39 -0.72 0.00 -1.26 -5.05 105.19 103.14 3m49 n GLY 352 Ca 0.11 -0.76 -0.23 0.00 0.00 0.00 0.00 46.02 45.14 3m49 n GLY 352 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3m49 s SER 353 N -2.87 3.08 0.01 1.61 1.04 -1.00 -5.04 113.70 110.53 3m49 s SER 353 Ca 0.00 -0.94 0.05 0.00 0.48 0.00 0.00 55.95 55.54 3m49 s SER 353 Cb 0.00 -0.21 -0.02 0.00 0.10 0.00 0.00 66.02 65.89 3m49 s SER 353 CO 0.00 -0.00 -0.14 -0.54 0.98 0.00 0.00 173.24 173.53 3m49 s LYS 354 N -3.11 1.07 -0.27 4.02 1.02 -1.26 -1.65 119.74 119.55 3m49 s LYS 354 Ca 0.22 -0.61 -0.22 0.00 0.02 0.00 0.00 55.97 55.38 3m49 s LYS 354 Cb -0.05 -1.06 0.08 0.00 -0.52 0.00 0.00 37.83 36.28 3m49 s LYS 354 CO 0.10 0.28 0.74 0.00 -0.92 0.00 0.00 175.35 175.55 3m49 s ALA 355 N -0.54 -1.85 0.44 5.17 0.00 -0.34 -4.86 121.76 119.78 3m49 s ALA 355 Ca 0.04 2.15 -0.24 0.00 0.00 0.00 0.00 51.96 53.91 3m49 s ALA 355 Cb -0.06 -1.30 -0.08 0.00 0.00 0.00 0.00 23.12 21.68 3m49 s ALA 355 CO 0.00 -0.34 1.23 0.00 0.00 0.00 0.00 175.76 176.65 3m49 s ALA 356 N 0.81 3.08 -0.03 0.00 0.00 -1.26 -1.05 121.76 123.30 3m49 s ALA 356 Ca -0.03 1.09 0.31 0.00 0.00 0.00 0.00 51.96 53.33 3m49 s ALA 356 Cb -0.05 -3.44 1.28 0.00 0.00 0.00 0.00 23.12 20.91 3m49 s ALA 356 CO -0.07 -0.78 1.92 1.79 0.00 0.00 0.00 175.76 178.63 3m49 h THR 357 N 2.09 0.00 -0.27 0.00 1.35 -1.75 -0.85 112.91 113.48 3m49 h THR 357 Ca -0.49 -0.46 -0.05 0.00 -0.55 0.00 0.00 66.41 64.86 3m49 h THR 357 Cb 1.25 1.40 -0.02 0.00 -1.73 0.00 0.00 68.15 69.05 3m49 h THR 357 CO 0.61 0.00 -0.04 0.08 -0.25 0.00 0.00 175.52 175.92 3m49 h ARG 358 N 0.00 0.41 0.08 4.72 0.11 -1.72 -0.94 114.38 117.05 3m49 h ARG 358 Ca 0.00 -0.09 -0.26 0.00 0.10 0.00 0.00 59.98 59.73 3m49 h ARG 358 Cb 0.49 -0.06 0.01 0.00 1.11 0.00 0.00 29.97 31.52 3m49 h ARG 358 CO 0.00 0.48 -1.13 -0.91 0.10 0.00 0.00 179.97 178.50 3m49 h ASN 359 N 0.40 0.59 -0.13 0.08 2.35 -1.45 -0.74 115.58 116.69 3m49 h ASN 359 Ca 0.09 -0.55 -0.10 0.00 -0.55 0.00 0.00 56.30 55.19 3m49 h ASN 359 Cb 0.33 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 3m49 h ASN 359 CO 0.01 1.38 -0.24 0.77 -1.65 0.00 0.00 177.43 177.70 3m49 h SER 360 N 0.19 0.57 -0.58 5.81 4.64 -1.39 -0.57 113.55 122.22 3m49 h SER 360 Ca -0.13 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3m49 h SER 360 Cb 1.81 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 63.71 3m49 h SER 360 CO 0.20 0.80 0.37 -1.28 -0.87 0.00 0.00 176.83 176.06 3m49 h SER 361 N 0.50 0.67 -0.64 4.97 0.87 -1.09 -0.45 113.55 118.38 3m49 h SER 361 Ca 0.07 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 3m49 h SER 361 Cb 0.68 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.44 3m49 h SER 361 CO 0.05 0.50 0.41 1.23 -0.53 0.00 0.00 176.83 178.49 3m49 h GLY 362 N 0.78 0.91 1.24 5.77 0.00 -0.73 0.23 103.07 111.26 3m49 h GLY 362 Ca 0.21 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 3m49 h GLY 362 CO -0.04 0.35 0.20 0.00 0.00 0.00 0.00 176.54 177.04 3m49 h ALA 363 N 1.22 1.15 -0.35 3.60 0.00 -0.75 -1.80 119.26 122.34 3m49 h ALA 363 Ca 0.23 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3m49 h ALA 363 Cb -0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3m49 h ALA 363 CO -0.05 0.59 -0.12 0.28 0.00 0.00 0.00 179.25 179.95 3m49 h VAL 364 N 0.93 1.28 -0.90 0.00 2.07 -0.56 -1.38 116.25 117.69 3m49 h VAL 364 Ca 0.21 -1.21 0.09 0.00 0.82 0.00 0.00 66.70 66.62 3m49 h VAL 364 Cb 0.27 1.34 -0.07 0.00 -1.52 0.00 0.00 31.29 31.30 3m49 h VAL 364 CO -0.01 0.40 0.55 0.40 0.02 0.00 0.00 177.57 178.92 3m49 h ILE 365 N 0.48 0.95 -0.03 4.57 2.04 -0.67 0.19 117.51 125.03 3m49 h ILE 365 Ca 0.08 -0.31 -0.16 0.00 1.00 0.00 0.00 64.86 65.47 3m49 h ILE 365 Cb 0.64 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 3m49 h ILE 365 CO 0.04 0.17 -0.69 0.78 0.00 0.00 0.00 178.15 178.45 3m49 h ASN 366 N 0.92 0.18 -0.38 1.72 2.35 -1.09 -0.32 115.58 118.95 3m49 h ASN 366 Ca 0.43 -0.12 -0.07 0.00 -0.55 0.00 0.00 56.30 55.99 3m49 h ASN 366 Cb 0.35 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 3m49 h ASN 366 CO -0.24 0.81 -0.04 0.00 -1.65 0.00 0.00 177.43 176.32 3m49 h ALA 367 N 1.19 0.52 -0.67 -0.83 0.00 -0.46 -3.03 119.26 115.98 3m49 h ALA 367 Ca -0.01 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 3m49 h ALA 367 Cb 1.22 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 3m49 h ALA 367 CO 0.10 0.33 0.22 0.82 0.00 0.00 0.00 179.25 180.72 3m49 h ILE 368 N 0.52 1.25 -0.66 0.00 2.04 -0.52 -2.57 117.51 117.57 3m49 h ILE 368 Ca 0.10 -0.84 0.07 0.00 1.00 0.00 0.00 64.86 65.19 3m49 h ILE 368 Cb 0.53 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 3m49 h ILE 368 CO 0.03 0.33 0.44 0.00 0.00 0.00 0.00 178.15 178.94 3m49 h ALA 369 N 1.09 1.80 -0.05 1.87 0.00 -1.01 0.26 119.26 123.22 3m49 h ALA 369 Ca 0.22 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.93 3m49 h ALA 369 Cb 0.28 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3m49 h ALA 369 CO -0.01 0.09 -0.75 0.93 0.00 0.00 0.00 179.25 179.51 3m49 h GLU 370 N 0.63 0.32 0.00 0.00 5.08 -1.37 -3.37 114.58 115.87 3m49 h GLU 370 Ca 0.29 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3m49 h GLU 370 Cb 0.32 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3m49 h GLU 370 CO -0.09 0.92 -0.92 -1.13 -1.00 0.00 0.00 179.01 176.79 3m49 n SER 371 N -3.80 0.93 -3.88 1.42 3.41 -0.55 -4.86 113.62 106.29 3m49 n SER 371 Ca -0.04 -0.61 -0.30 0.00 -0.26 0.00 0.00 58.87 57.65 3m49 n SER 371 Cb 0.72 1.17 -0.15 0.00 -0.26 0.00 0.00 64.21 65.69 3m49 n SER 371 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3m49 s VAL 372 N -2.50 1.60 0.21 -3.33 1.01 0.81 -4.71 120.40 113.49 3m49 s VAL 372 Ca 0.03 -1.88 0.36 0.00 0.00 0.00 0.00 61.98 60.48 3m49 s VAL 372 Cb 0.10 -2.19 0.38 0.00 0.00 0.00 0.00 36.38 34.67 3m49 s VAL 372 CO 0.58 -0.63 2.07 -0.65 0.00 0.00 0.00 175.10 176.47 3m49 h PRO 373 N 7.84 0.00 -0.16 2.72 0.11 -1.84 -2.86 132.00 137.82 3m49 h PRO 373 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 3m49 h PRO 373 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3m49 h PRO 373 CO 0.50 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.16 3m49 n SER 374 N -2.93 1.06 -4.74 -2.05 3.41 -1.26 -4.93 113.62 102.18 3m49 n SER 374 Ca -0.01 -1.82 -0.40 0.00 -0.26 0.00 0.00 58.87 56.37 3m49 n SER 374 Cb 0.20 -0.11 -0.05 0.00 -0.26 0.00 0.00 64.21 63.99 3m49 n SER 374 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3m49 s PHE 375 N -1.79 3.88 -0.27 7.33 5.99 -1.08 -0.44 117.98 131.61 3m49 s PHE 375 Ca 0.21 1.84 -0.11 0.00 0.00 0.00 0.00 56.93 58.88 3m49 s PHE 375 Cb 0.11 -3.04 0.11 0.00 0.00 0.00 0.00 43.02 40.19 3m49 s PHE 375 CO 0.16 0.25 0.61 0.12 -0.00 0.00 0.00 175.22 176.36 3m49 s PHE 376 N -0.66 -1.14 -0.05 10.12 5.36 -0.43 -4.91 117.98 126.27 3m49 s PHE 376 Ca 0.44 2.09 0.00 0.00 -0.96 0.00 0.00 56.93 58.50 3m49 s PHE 376 Cb -0.25 0.65 0.00 0.00 -0.34 0.00 0.00 43.02 43.08 3m49 s PHE 376 CO 0.32 -0.58 0.00 0.41 -1.46 0.00 0.00 175.22 173.91 3m49 n GLY 377 N 5.06 -1.21 0.00 13.12 0.00 -1.10 -2.77 105.19 118.30 3m49 n GLY 377 Ca -0.14 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.02 3m49 n GLY 377 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m49 n GLY 378 N -0.00 0.87 3.08 -0.02 0.00 -1.04 -1.23 105.19 106.84 3m49 n GLY 378 Ca 0.00 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.55 3m49 n GLY 378 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3m49 s SER 379 N 2.00 0.25 -1.41 1.61 0.15 -1.16 -0.91 113.70 114.23 3m49 s SER 379 Ca 0.00 -0.61 -0.13 0.00 0.70 0.00 0.00 55.95 55.91 3m49 s SER 379 Cb 0.00 0.20 0.07 0.00 -1.71 0.00 0.00 66.02 64.58 3m49 s SER 379 CO 0.00 -0.48 2.15 0.00 1.20 0.00 0.00 173.24 176.11 3m49 n ALA 380 N 0.82 5.55 -1.51 5.45 0.00 -0.49 -2.27 120.51 128.06 3m49 n ALA 380 Ca -0.19 -3.99 -0.14 0.00 0.00 0.00 0.00 53.44 49.11 3m49 n ALA 380 Cb 0.58 -3.38 -0.05 0.00 0.00 0.00 0.00 19.45 16.60 3m49 n ALA 380 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3m49 n ASP 381 N 5.41 -4.67 -1.42 0.00 2.03 -1.15 -4.49 116.55 112.26 3m49 n ASP 381 Ca 0.49 0.31 0.00 0.00 0.52 0.00 0.00 54.79 56.12 3m49 n ASP 381 Cb 0.38 -3.47 0.09 0.00 -0.72 0.00 0.00 41.12 37.41 3m49 n ASP 381 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3m49 n LEU 382 N -1.66 2.24 -0.17 -2.67 4.77 -1.26 -4.89 117.00 113.35 3m49 n LEU 382 Ca -0.14 -3.21 -0.04 0.00 -0.03 0.00 0.00 56.01 52.58 3m49 n LEU 382 Cb 0.48 -0.18 0.05 0.00 -2.33 0.00 0.00 43.42 41.45 3m49 n LEU 382 CO 0.21 1.12 1.02 0.00 -1.33 0.00 0.00 177.39 178.42 3m49 h ALA 383 N 1.38 0.66 -0.70 -1.18 0.00 -1.89 0.53 119.26 118.05 3m49 h ALA 383 Ca -0.05 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3m49 h ALA 383 Cb 1.44 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 3m49 h ALA 383 CO 0.16 -0.09 0.39 0.78 0.00 0.00 0.00 179.25 180.49 3m49 h GLY 384 N 0.50 1.03 1.32 0.00 0.00 -1.98 -0.70 103.07 103.25 3m49 h GLY 384 Ca 0.23 -0.46 -0.31 0.00 0.00 0.00 0.00 47.33 46.79 3m49 h GLY 384 CO -0.16 0.44 -1.33 1.76 0.00 0.00 0.00 176.54 177.25 3m49 h SER 385 N 0.96 0.79 1.47 0.19 0.02 -1.67 -3.25 113.55 112.05 3m49 h SER 385 Ca 0.25 -0.78 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 3m49 h SER 385 Cb 0.03 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.31 3m49 h SER 385 CO -0.04 1.60 0.00 0.78 -1.14 0.00 0.00 176.83 178.03 3m49 h ASN 386 N 0.19 0.00 -5.82 3.07 2.35 0.02 -3.48 115.58 111.91 3m49 h ASN 386 Ca -0.20 0.00 -0.38 0.00 -0.55 0.00 0.00 56.30 55.17 3m49 h ASN 386 Cb 2.02 0.00 0.13 0.00 0.05 0.00 0.00 38.32 40.52 3m49 h ASN 386 CO 0.25 0.00 -0.73 0.29 -1.65 0.00 0.00 177.43 175.58 3m49 n LYS 387 N -2.57 -7.05 0.00 0.81 4.76 -0.28 -4.82 118.16 109.02 3m49 n LYS 387 Ca 0.04 0.81 0.11 0.00 -2.87 0.00 0.00 58.31 56.40 3m49 n LYS 387 Cb 0.42 -5.80 0.07 0.00 -1.84 0.00 0.00 35.03 27.88 3m49 n LYS 387 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3m49 n THR 388 N -4.58 0.00 0.00 -0.18 -2.24 -1.16 -3.81 114.28 102.32 3m49 n THR 388 Ca -0.13 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 3m49 n THR 388 Cb 0.61 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 3m49 n THR 388 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3m49 n TYR 389 N -0.57 0.00 0.00 4.78 9.36 -1.26 -4.82 117.16 124.65 3m49 n TYR 389 Ca 0.09 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.31 3m49 n TYR 389 Cb 0.41 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.12 3m49 n TYR 389 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 3m49 n ASN 391 N 0.00 0.00 -1.41 2.98 5.03 -1.26 -4.77 115.26 115.82 3m49 n ASN 391 Ca 0.00 0.00 0.10 0.00 0.87 0.00 0.00 54.58 55.55 3m49 n ASN 391 Cb 0.00 0.00 0.33 0.00 -1.02 0.00 0.00 39.78 39.09 3m49 n ASN 391 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3m49 n ASN 392 N -0.22 4.31 -4.65 6.41 3.02 -1.26 -4.95 115.26 117.91 3m49 n ASN 392 Ca 0.00 -2.26 -0.24 0.00 -0.03 0.00 0.00 54.58 52.05 3m49 n ASN 392 Cb 0.00 -0.52 -0.08 0.00 -0.61 0.00 0.00 39.78 38.57 3m49 n ASN 392 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3m49 s GLU 393 N -1.48 2.14 0.55 3.52 0.41 -1.26 -5.13 118.70 117.45 3m49 s GLU 393 Ca 0.48 -1.69 0.03 0.00 -0.41 0.00 0.00 54.97 53.38 3m49 s GLU 393 Cb 0.29 -1.99 0.05 0.00 -1.78 0.00 0.00 34.13 30.70 3m49 s GLU 393 CO 0.27 0.14 0.77 0.15 -0.49 0.00 0.00 175.26 176.10 3m49 s LYS 394 N -3.74 2.46 0.13 1.61 1.02 -1.26 -4.88 119.74 115.08 3m49 s LYS 394 Ca 0.35 -0.98 -0.24 0.00 0.02 0.00 0.00 55.97 55.13 3m49 s LYS 394 Cb -0.01 -2.53 -0.07 0.00 -0.52 0.00 0.00 37.83 34.70 3m49 s LYS 394 CO 0.20 -0.74 0.73 -0.51 -0.92 0.00 0.00 175.35 174.10 3m49 s ASP 395 N -4.47 7.30 -0.40 2.83 1.01 -1.26 -1.59 116.67 120.09 3m49 s ASP 395 Ca 0.58 1.54 -0.29 0.00 0.71 0.00 0.00 52.55 55.09 3m49 s ASP 395 Cb -0.09 -2.46 0.01 0.00 1.01 0.00 0.00 42.92 41.38 3m49 s ASP 395 CO 0.38 0.20 1.34 0.12 0.21 0.00 0.00 175.17 177.43 3m49 s PHE 396 N -1.02 2.53 0.21 4.23 5.36 0.59 -4.00 117.98 125.88 3m49 s PHE 396 Ca 0.34 0.73 -0.04 0.00 -0.96 0.00 0.00 56.93 57.01 3m49 s PHE 396 Cb -0.22 -4.24 -0.03 0.00 -0.34 0.00 0.00 43.02 38.19 3m49 s PHE 396 CO 0.24 -1.80 0.20 0.95 -1.46 0.00 0.00 175.22 173.35 3m49 s THR 397 N 5.03 0.01 0.62 0.12 -4.23 -0.97 -4.68 115.64 111.54 3m49 s THR 397 Ca 0.58 -1.86 0.31 0.00 -1.18 0.00 0.00 61.69 59.54 3m49 s THR 397 Cb -0.13 -2.40 0.36 0.00 1.34 0.00 0.00 72.50 71.67 3m49 s THR 397 CO 0.30 -0.03 2.08 0.08 -0.54 0.00 0.00 174.62 176.52 3m49 h ARG 398 N 2.56 0.00 0.00 3.99 0.11 -1.81 -1.06 114.38 118.17 3m49 h ARG 398 Ca -0.34 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.74 3m49 h ARG 398 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 3m49 h ARG 398 CO 0.50 0.00 -1.10 -0.25 0.10 0.00 0.00 179.97 179.22 3m49 n ASP 399 N -3.49 0.68 -3.31 0.08 8.00 -1.26 -4.74 116.55 112.51 3m49 n ASP 399 Ca 0.01 -0.52 -0.10 0.00 0.71 0.00 0.00 54.79 54.89 3m49 n ASP 399 Cb 0.33 0.99 -0.05 0.00 -0.02 0.00 0.00 41.12 42.37 3m49 n ASP 399 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3m49 s ASP 400 N -3.52 0.22 0.00 -2.24 -1.08 -0.41 -4.99 116.67 104.66 3m49 s ASP 400 Ca 0.05 -1.19 0.24 0.00 -0.52 0.00 0.00 52.55 51.12 3m49 s ASP 400 Cb 0.15 1.07 1.14 0.00 -1.46 0.00 0.00 42.92 43.82 3m49 s ASP 400 CO 0.83 -0.24 1.77 -1.22 0.52 0.00 0.00 175.17 176.83 3m49 n TYR 401 N 4.43 0.00 0.73 -5.34 4.01 -1.19 -2.28 117.16 117.52 3m49 n TYR 401 Ca 0.10 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.97 3m49 n TYR 401 Cb 0.49 -0.34 0.44 0.00 -0.31 0.00 0.00 39.34 39.62 3m49 n TYR 401 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3m49 n SER 402 N -1.34 0.58 -4.77 7.72 3.41 -1.26 -4.15 113.62 113.81 3m49 n SER 402 Ca 0.10 0.49 -0.40 0.00 -0.26 0.00 0.00 58.87 58.80 3m49 n SER 402 Cb 0.21 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 3m49 n SER 402 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3m49 s GLY 403 N -3.41 2.93 0.03 5.00 0.00 -1.05 -4.90 107.32 105.92 3m49 s GLY 403 Ca 0.11 1.41 0.22 0.00 0.00 0.00 0.00 44.72 46.46 3m49 s GLY 403 CO 0.59 2.03 0.91 0.28 0.00 0.00 0.00 173.10 176.91 3m49 n LYS 404 N 0.09 0.30 -3.15 2.90 5.02 -0.62 -3.72 118.16 118.98 3m49 n LYS 404 Ca 0.04 -0.04 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 3m49 n LYS 404 Cb 0.42 -1.57 -0.07 0.00 -0.02 0.00 0.00 35.03 33.79 3m49 n LYS 404 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3m49 s ASN 405 N -3.87 6.48 -0.20 4.39 0.01 -0.67 -2.70 114.94 118.38 3m49 s ASN 405 Ca 0.02 0.45 -0.09 0.00 -0.71 0.00 0.00 52.86 52.54 3m49 s ASN 405 Cb 0.15 -2.31 -0.05 0.00 0.41 0.00 0.00 41.25 39.45 3m49 s ASN 405 CO 0.83 -0.42 0.11 -0.63 -1.51 0.00 0.00 177.10 175.48 3m49 s ILE 406 N 2.50 5.16 -0.63 0.60 1.01 -0.37 -0.30 121.20 129.18 3m49 s ILE 406 Ca 0.24 0.10 -0.13 0.00 0.00 0.00 0.00 60.65 60.86 3m49 s ILE 406 Cb -0.15 -3.35 0.16 0.00 0.01 0.00 0.00 42.46 39.13 3m49 s ILE 406 CO 0.11 0.44 0.55 0.26 0.00 0.00 0.00 174.94 176.30 3m49 s TRP 407 N 0.44 3.46 -0.15 3.97 0.52 -1.26 -2.99 118.94 122.93 3m49 s TRP 407 Ca 0.06 -1.75 0.29 0.00 0.02 0.00 0.00 56.10 54.73 3m49 s TRP 407 Cb -0.12 -3.70 0.97 0.00 -1.15 0.00 0.00 33.47 29.47 3m49 s TRP 407 CO -0.01 -0.99 1.83 1.88 0.02 0.00 0.00 176.95 179.68 3m49 h TYR 408 N 8.30 0.00 -0.46 -1.98 0.05 -1.84 -3.49 116.97 117.54 3m49 h TYR 408 Ca -0.13 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.67 3m49 h TYR 408 Cb 1.06 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.80 3m49 h TYR 408 CO 0.81 0.00 -0.03 0.41 -1.05 0.00 0.00 178.16 178.30 3m49 n GLY 409 N 0.45 -1.96 2.74 3.88 0.00 -1.26 -4.22 105.19 104.82 3m49 n GLY 409 Ca 0.02 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 3m49 n GLY 409 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3m49 n VAL 410 N -0.72 3.80 -3.13 1.61 0.31 -1.26 -2.96 118.33 115.99 3m49 n VAL 410 Ca 0.00 -3.42 -0.20 0.00 -0.01 0.00 0.00 64.34 60.71 3m49 n VAL 410 Cb 0.03 -2.52 -0.04 0.00 -0.91 0.00 0.00 33.84 30.40 3m49 n VAL 410 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3m49 n ARG 411 N 5.20 0.82 -0.11 5.55 1.74 -1.26 -5.00 116.66 123.60 3m49 n ARG 411 Ca 0.50 -3.08 -0.06 0.00 -0.77 0.00 0.00 57.85 54.44 3m49 n ARG 411 Cb 0.37 -1.39 0.02 0.00 -1.02 0.00 0.00 32.46 30.43 3m49 n ARG 411 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3m49 h GLU 412 N 3.60 0.34 -0.13 5.56 3.07 -1.91 -2.99 114.58 122.13 3m49 h GLU 412 Ca 0.05 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.88 3m49 h GLU 412 Cb 0.94 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.76 3m49 h GLU 412 CO 0.44 0.23 0.04 0.35 -1.40 0.00 0.00 179.01 178.67 3m49 h PHE 413 N 0.35 0.20 0.00 4.33 3.04 -1.92 -0.89 116.94 122.05 3m49 h PHE 413 Ca 0.17 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.10 3m49 h PHE 413 Cb 0.10 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.55 3m49 h PHE 413 CO -0.12 0.32 0.00 0.00 -2.02 0.00 0.00 178.31 176.50 3m49 n ALA 414 N -2.23 1.49 0.00 2.41 0.00 -1.13 -1.35 120.51 119.70 3m49 n ALA 414 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3m49 n ALA 414 Cb 0.14 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.47 3m49 n ALA 414 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m49 n GLY 416 N 1.12 0.00 0.26 0.00 0.00 -0.34 -0.17 105.19 106.07 3m49 n GLY 416 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3m49 n GLY 416 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m49 h ALA 417 N 0.00 0.58 0.00 4.61 0.00 -1.49 -2.80 119.26 120.16 3m49 h ALA 417 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3m49 h ALA 417 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3m49 h ALA 417 CO 0.00 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.87 3m49 n ALA 418 N -2.52 1.48 0.00 0.00 0.00 0.76 -1.98 120.51 118.25 3m49 n ALA 418 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3m49 n ALA 418 Cb 0.50 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.87 3m49 n ALA 418 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3m49 n ASN 420 N 1.09 0.00 -0.25 0.00 3.02 -1.06 -0.53 115.26 117.53 3m49 n ASN 420 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.50 3m49 n ASN 420 Cb 0.00 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.23 3m49 n ASN 420 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3m49 h GLY 421 N 0.00 1.00 0.96 7.41 0.00 -1.52 0.14 103.07 111.06 3m49 h GLY 421 Ca 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 3m49 h GLY 421 CO 0.00 0.38 0.19 -2.22 0.00 0.00 0.00 176.54 174.88 3m49 h ILE 422 N 0.96 1.15 -0.61 2.60 2.04 -0.90 -0.95 117.51 121.80 3m49 h ILE 422 Ca 0.26 -0.39 -0.09 0.00 1.00 0.00 0.00 64.86 65.64 3m49 h ILE 422 Cb -0.09 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 3m49 h ILE 422 CO -0.05 0.15 0.03 0.00 0.00 0.00 0.00 178.15 178.28 3m49 h ALA 423 N 1.05 0.90 -0.58 1.87 0.00 -1.74 -2.80 119.26 117.95 3m49 h ALA 423 Ca 0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3m49 h ALA 423 Cb 0.08 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3m49 h ALA 423 CO -0.02 0.66 0.29 -0.07 0.00 0.00 0.00 179.25 180.11 3m49 h LEU 424 N 0.97 0.73 -0.71 0.00 3.38 -0.50 -2.92 115.31 116.26 3m49 h LEU 424 Ca 0.18 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3m49 h LEU 424 Cb 0.51 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3m49 h LEU 424 CO 0.02 0.61 0.46 -0.74 0.09 0.00 0.00 178.44 178.88 3m49 h HIS 425 N 0.81 0.90 0.00 1.13 2.76 -0.90 -3.49 115.15 116.37 3m49 h HIS 425 Ca 0.20 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 3m49 h HIS 425 Cb 0.07 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 28.73 3m49 h HIS 425 CO 0.01 0.58 0.00 0.41 -1.30 0.00 0.00 177.93 177.63 3m49 n GLY 426 N -1.25 0.68 0.00 5.26 0.00 -1.10 -5.01 105.19 103.76 3m49 n GLY 426 Ca 0.06 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.47 3m49 n GLY 426 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m49 n GLY 427 N 0.93 2.02 3.07 -0.02 0.00 -1.23 -5.03 105.19 104.93 3m49 n GLY 427 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 3m49 n GLY 427 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m49 s LEU 428 N 0.00 2.20 -0.22 0.99 1.43 -1.26 -4.77 118.68 117.05 3m49 s LEU 428 Ca 0.00 -0.46 -0.07 0.00 -1.03 0.00 0.00 54.13 52.57 3m49 s LEU 428 Cb 0.00 -0.28 -0.03 0.00 0.03 0.00 0.00 46.19 45.91 3m49 s LEU 428 CO 0.00 -0.11 0.06 -0.54 0.23 0.00 0.00 176.35 175.99 3m49 s LYS 429 N -1.26 3.73 0.14 1.70 -0.14 0.42 -4.79 119.74 119.55 3m49 s LYS 429 Ca -0.05 -0.45 0.08 0.00 -1.36 0.00 0.00 55.97 54.19 3m49 s LYS 429 Cb -0.08 -3.25 -0.04 0.00 -1.68 0.00 0.00 37.83 32.78 3m49 s LYS 429 CO 0.01 -0.03 -0.18 -0.08 -0.76 0.00 0.00 175.35 174.31 3m49 s THR 430 N 1.18 1.67 0.13 2.17 -1.32 -1.26 -1.31 115.64 116.90 3m49 s THR 430 Ca 0.04 -1.77 -0.09 0.00 -1.21 0.00 0.00 61.69 58.66 3m49 s THR 430 Cb -0.14 -1.69 -0.01 0.00 -1.51 0.00 0.00 72.50 69.15 3m49 s THR 430 CO 0.03 -0.27 0.25 -0.72 -2.21 0.00 0.00 174.62 171.70 3m49 s TYR 431 N -1.83 0.30 -0.11 9.09 1.13 -1.11 -2.17 117.35 122.64 3m49 s TYR 431 Ca 0.12 -0.69 -0.14 0.00 -1.41 0.00 0.00 57.07 54.95 3m49 s TYR 431 Cb -0.07 -0.06 0.04 0.00 -1.10 0.00 0.00 41.96 40.77 3m49 s TYR 431 CO 0.05 -0.65 0.38 0.20 -2.51 0.00 0.00 175.55 173.02 3m49 s GLY 432 N -2.92 -0.27 0.06 5.49 0.00 -0.79 -2.50 107.32 106.38 3m49 s GLY 432 Ca 0.12 0.93 0.08 0.00 0.00 0.00 0.00 44.72 45.86 3m49 s GLY 432 CO -0.04 0.76 -0.21 -0.32 0.00 0.00 0.00 173.10 173.28 3m49 s GLY 433 N -0.19 1.54 0.36 0.20 0.00 -0.09 -0.45 107.32 108.69 3m49 s GLY 433 Ca -0.03 -1.26 -0.16 0.00 0.00 0.00 0.00 44.72 43.27 3m49 s GLY 433 CO 0.02 -1.17 0.74 -1.08 0.00 0.00 0.00 173.10 171.60 3m49 s THR 434 N -0.93 0.00 0.34 0.90 -1.32 -0.85 -1.40 115.64 112.38 3m49 s THR 434 Ca 0.14 -1.07 -0.29 0.00 -1.21 0.00 0.00 61.69 59.27 3m49 s THR 434 Cb -0.10 -2.65 -0.10 0.00 -1.51 0.00 0.00 72.50 68.13 3m49 s THR 434 CO 0.05 0.00 1.38 -0.36 -2.21 0.00 0.00 174.62 173.48 3m49 s PHE 435 N -2.77 2.90 0.33 9.09 0.08 -1.26 -2.46 117.98 123.89 3m49 s PHE 435 Ca 0.16 1.29 0.07 0.00 0.12 0.00 0.00 56.93 58.58 3m49 s PHE 435 Cb -0.05 -3.81 0.76 0.00 -0.57 0.00 0.00 43.02 39.35 3m49 s PHE 435 CO 0.11 -2.31 1.85 0.35 -0.10 0.00 0.00 175.22 175.12 3m49 h PHE 436 N 3.44 0.92 -0.03 0.36 3.57 -1.23 -0.27 116.94 123.69 3m49 h PHE 436 Ca -0.49 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.03 3m49 h PHE 436 Cb 1.23 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.68 3m49 h PHE 436 CO 0.55 0.33 -0.00 -0.24 -2.23 0.00 0.00 178.31 176.71 3m49 h VAL 437 N 0.76 1.03 -0.43 1.41 3.04 -1.82 -0.51 116.25 119.74 3m49 h VAL 437 Ca 0.48 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 66.06 3m49 h VAL 437 Cb 0.70 1.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.99 3m49 h VAL 437 CO -0.24 0.04 0.00 0.49 -1.01 0.00 0.00 177.57 176.85 3m49 n PHE 438 N -4.50 0.57 0.10 3.17 3.72 -0.12 -3.84 117.46 116.56 3m49 n PHE 438 Ca -0.02 -0.29 0.20 0.00 -0.05 0.00 0.00 57.45 57.28 3m49 n PHE 438 Cb 0.11 0.00 0.75 0.00 -0.94 0.00 0.00 39.48 39.40 3m49 n PHE 438 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3m49 h SER 439 N 2.76 0.00 0.12 4.37 4.64 -0.97 -1.11 113.55 123.35 3m49 h SER 439 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3m49 h SER 439 Cb 0.63 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3m49 h SER 439 CO 0.00 0.00 -0.13 0.44 -0.87 0.00 0.00 176.83 176.27 3m49 h ASP 440 N 0.00 0.02 0.42 4.97 3.32 -1.78 -2.05 116.42 121.32 3m49 h ASP 440 Ca 0.18 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 3m49 h ASP 440 Cb 0.92 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 3m49 h ASP 440 CO -0.00 0.14 -0.24 1.88 -1.72 0.00 0.00 179.24 179.30 3m49 h TYR 441 N 0.02 0.00 -0.33 4.55 -1.99 -1.50 -2.90 116.97 114.81 3m49 h TYR 441 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3m49 h TYR 441 Cb 0.23 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.96 3m49 h TYR 441 CO 0.00 0.24 0.00 1.47 -0.00 0.00 0.00 178.16 179.87 3m49 n LEU 442 N -3.86 3.07 -0.30 3.88 -0.00 -0.81 -3.79 117.00 115.19 3m49 n LEU 442 Ca -0.02 -2.16 0.11 0.00 -0.00 0.00 0.00 56.01 53.95 3m49 n LEU 442 Cb 0.33 -0.28 0.28 0.00 -0.00 0.00 0.00 43.42 43.75 3m49 n LEU 442 CO 0.35 0.72 1.05 -0.09 -0.00 0.00 0.00 177.39 179.42 3m49 h ARG 443 N 1.98 0.43 0.00 1.47 2.43 -1.24 -0.75 114.38 118.70 3m49 h ARG 443 Ca 0.00 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 3m49 h ARG 443 Cb 0.84 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 3m49 h ARG 443 CO 0.03 0.28 -0.18 -1.35 -1.51 0.00 0.00 179.97 177.25 3m49 h PRO 444 N 0.44 0.00 0.06 0.20 0.11 -1.86 -1.58 132.00 129.37 3m49 h PRO 444 Ca 0.53 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 66.39 3m49 h PRO 444 Cb 0.95 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.06 3m49 h PRO 444 CO -0.49 0.18 -1.09 0.00 -0.21 0.00 0.00 178.00 176.39 3m49 h ALA 445 N 1.82 0.22 -0.88 -0.75 0.00 -1.51 -2.42 119.26 115.76 3m49 h ALA 445 Ca -0.00 -0.78 0.02 0.00 0.00 0.00 0.00 54.91 54.15 3m49 h ALA 445 Cb 0.44 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 3m49 h ALA 445 CO 0.02 0.86 0.57 0.82 0.00 0.00 0.00 179.25 181.52 3m49 h ILE 446 N 0.17 1.18 -0.63 0.00 2.04 -1.13 -0.56 117.51 118.60 3m49 h ILE 446 Ca -0.11 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 3m49 h ILE 446 Cb 1.76 -0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 3m49 h ILE 446 CO 0.19 0.21 0.37 -0.09 0.00 0.00 0.00 178.15 178.82 3m49 h ARG 447 N 1.14 0.86 -0.27 2.37 2.43 -1.21 -0.57 114.38 119.13 3m49 h ARG 447 Ca 0.34 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.36 3m49 h ARG 447 Cb -0.06 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.30 3m49 h ARG 447 CO -0.09 0.63 -0.07 -0.07 -1.51 0.00 0.00 179.97 178.86 3m49 h LEU 448 N 0.85 0.41 -0.59 3.80 3.38 -1.12 -1.16 115.31 120.87 3m49 h LEU 448 Ca 0.22 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 3m49 h LEU 448 Cb 0.00 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3m49 h LEU 448 CO -0.04 0.52 0.15 0.00 0.09 0.00 0.00 178.44 179.16 3m49 h ALA 449 N 1.53 0.77 -0.56 1.53 0.00 -0.29 -2.98 119.26 119.25 3m49 h ALA 449 Ca 0.08 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 3m49 h ALA 449 Cb 0.38 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3m49 h ALA 449 CO 0.02 0.47 0.08 0.00 0.00 0.00 0.00 179.25 179.81 3m49 h ALA 450 N 1.03 0.75 0.00 0.00 0.00 -0.87 0.72 119.26 120.90 3m49 h ALA 450 Ca 0.18 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3m49 h ALA 450 Cb 0.34 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3m49 h ALA 450 CO 0.00 0.51 0.00 -0.11 0.00 0.00 0.00 179.25 179.65 3m49 n LEU 451 N -4.32 1.52 -2.60 0.00 7.94 -0.46 -4.71 117.00 114.37 3m49 n LEU 451 Ca 0.02 -0.76 -0.05 0.00 -1.11 0.00 0.00 56.01 54.12 3m49 n LEU 451 Cb 0.28 -0.29 0.06 0.00 0.53 0.00 0.00 43.42 44.00 3m49 n LEU 451 CO 0.42 0.26 0.55 0.00 -1.11 0.00 0.00 177.39 177.51 3m49 n GLN 453 N 0.61 0.75 -3.61 1.96 6.02 0.03 -5.05 117.38 118.08 3m49 n GLN 453 Ca 0.00 -1.21 -0.37 0.00 -0.01 0.00 0.00 57.00 55.42 3m49 n GLN 453 Cb 0.26 0.02 -0.09 0.00 1.02 0.00 0.00 30.24 31.46 3m49 n GLN 453 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3m49 s LEU 454 N -2.69 4.15 -1.15 1.08 1.43 0.01 -3.97 118.68 117.53 3m49 s LEU 454 Ca 0.12 0.23 -0.09 0.00 -1.03 0.00 0.00 54.13 53.36 3m49 s LEU 454 Cb 0.25 -2.19 -0.12 0.00 0.03 0.00 0.00 46.19 44.15 3m49 s LEU 454 CO -0.06 0.06 3.11 -0.81 0.23 0.00 0.00 176.35 178.88 3m49 n PRO 455 N 4.15 3.27 -2.30 1.29 -0.04 -1.26 -1.82 135.00 138.29 3m49 n PRO 455 Ca -0.14 -1.95 -0.29 0.00 -0.04 0.00 0.00 63.50 61.09 3m49 n PRO 455 Cb 0.52 -2.56 0.01 0.00 -0.04 0.00 0.00 33.50 31.42 3m49 n PRO 455 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3m49 s VAL 456 N 1.58 4.73 -0.11 0.52 -7.23 -1.26 -4.70 120.40 113.92 3m49 s VAL 456 Ca 0.68 0.46 0.02 0.00 -1.81 0.00 0.00 61.98 61.33 3m49 s VAL 456 Cb 0.22 -3.83 0.01 0.00 0.56 0.00 0.00 36.38 33.34 3m49 s VAL 456 CO -0.05 -0.94 -0.17 -0.89 -0.31 0.00 0.00 175.10 172.74 3m49 s THR 457 N -2.94 1.64 -0.16 5.32 2.01 -0.92 -0.96 115.64 119.62 3m49 s THR 457 Ca 0.51 -0.73 -0.11 0.00 0.31 0.00 0.00 61.69 61.67 3m49 s THR 457 Cb -0.11 -1.48 -0.05 0.00 0.01 0.00 0.00 72.50 70.88 3m49 s THR 457 CO 0.49 0.47 0.21 -0.31 -0.69 0.00 0.00 174.62 174.78 3m49 s TYR 458 N 0.88 3.48 -0.58 4.92 2.02 0.13 -1.89 117.35 126.31 3m49 s TYR 458 Ca -0.08 0.50 -0.10 0.00 -0.37 0.00 0.00 57.07 57.02 3m49 s TYR 458 Cb -0.15 -2.19 0.15 0.00 -0.40 0.00 0.00 41.96 39.37 3m49 s TYR 458 CO -0.00 0.38 0.47 0.08 -1.57 0.00 0.00 175.55 174.91 3m49 s VAL 459 N 0.04 4.56 -0.40 0.71 1.01 0.40 -0.71 120.40 126.02 3m49 s VAL 459 Ca 0.13 -2.08 -0.09 0.00 0.00 0.00 0.00 61.98 59.95 3m49 s VAL 459 Cb -0.12 -3.94 0.07 0.00 0.00 0.00 0.00 36.38 32.38 3m49 s VAL 459 CO 0.02 -0.86 0.23 -0.36 0.00 0.00 0.00 175.10 174.13 3m49 s PHE 460 N 0.91 3.33 0.58 5.22 0.08 -0.34 -2.00 117.98 125.77 3m49 s PHE 460 Ca 0.10 -1.50 0.09 0.00 0.12 0.00 0.00 56.93 55.74 3m49 s PHE 460 Cb -0.22 -2.81 0.09 0.00 -0.57 0.00 0.00 43.02 39.50 3m49 s PHE 460 CO -0.02 -0.82 0.72 0.25 -0.10 0.00 0.00 175.22 175.25 3m49 n THR 461 N 4.89 0.00 -3.44 0.64 -2.24 -1.03 -0.81 114.28 112.30 3m49 n THR 461 Ca -0.10 -2.02 -0.19 0.00 -2.27 0.00 0.00 64.05 59.47 3m49 n THR 461 Cb 0.43 -0.40 0.06 0.00 -2.10 0.00 0.00 70.33 68.33 3m49 n THR 461 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3m49 n HIS 462 N -2.17 -2.22 1.82 4.78 8.25 -0.63 -0.92 115.22 124.13 3m49 n HIS 462 Ca 0.12 0.80 0.15 0.00 -0.26 0.00 0.00 57.72 58.54 3m49 n HIS 462 Cb 0.61 -4.26 0.88 0.00 1.12 0.00 0.00 29.99 28.34 3m49 n HIS 462 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3m49 n ASP 463 N -3.08 0.00 -2.09 0.41 5.75 -0.88 -4.39 116.55 112.26 3m49 n ASP 463 Ca -0.16 -0.81 -0.06 0.00 -0.01 0.00 0.00 54.79 53.75 3m49 n ASP 463 Cb 0.64 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.68 3m49 n ASP 463 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3m49 n SER 464 N -1.05 -1.15 0.26 -1.12 3.41 -1.26 -4.56 113.62 108.15 3m49 n SER 464 Ca 0.21 -2.00 0.15 0.00 -0.26 0.00 0.00 58.87 56.97 3m49 n SER 464 Cb 0.13 1.97 0.79 0.00 -0.26 0.00 0.00 64.21 66.84 3m49 n SER 464 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 3m49 h ILE 465 N 1.59 0.00 0.00 -1.33 3.07 -1.90 -1.56 117.51 117.38 3m49 h ILE 465 Ca -0.18 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.23 3m49 h ILE 465 Cb 0.71 0.65 0.00 0.00 -0.27 0.00 0.00 36.82 37.91 3m49 h ILE 465 CO 0.24 0.00 0.19 0.00 -1.05 0.00 0.00 178.15 177.52 3m49 h ALA 466 N 1.70 1.19 -1.00 0.16 0.00 -1.94 -1.53 119.26 117.83 3m49 h ALA 466 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.10 3m49 h ALA 466 Cb 0.26 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.95 3m49 h ALA 466 CO 0.00 -0.19 0.61 0.28 0.00 0.00 0.00 179.25 179.96 3m49 h VAL 467 N 0.00 0.71 0.00 0.00 2.07 -1.62 -3.37 116.25 114.03 3m49 h VAL 467 Ca 0.00 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3m49 h VAL 467 Cb 0.37 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 3m49 h VAL 467 CO 0.00 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.34 3m49 n GLY 468 N -1.34 1.62 0.24 2.17 0.00 -0.58 -4.45 105.19 102.86 3m49 n GLY 468 Ca 0.23 -0.37 -0.01 0.00 0.00 0.00 0.00 46.02 45.86 3m49 n GLY 468 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3m49 h GLU 469 N 0.00 0.40 0.00 1.61 3.07 -1.62 -2.42 114.58 115.62 3m49 h GLU 469 Ca 0.00 -0.13 -0.00 0.00 -0.50 0.00 0.00 59.36 58.73 3m49 h GLU 469 Cb 0.00 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 27.87 3m49 h GLU 469 CO 0.00 0.59 -0.00 -0.44 -1.40 0.00 0.00 179.01 177.76 3m49 h ASP 470 N 0.37 0.00 -4.37 1.42 3.32 -1.88 -3.40 116.42 111.88 3m49 h ASP 470 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3m49 h ASP 470 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 3m49 h ASP 470 CO 0.04 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.17 3m49 n GLY 471 N -0.99 -2.25 0.23 2.75 0.00 -0.93 -4.45 105.19 99.57 3m49 n GLY 471 Ca -0.03 -1.69 0.03 0.00 0.00 0.00 0.00 46.02 44.33 3m49 n GLY 471 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3m49 h PRO 472 N 0.00 0.16 0.00 1.61 0.13 -1.80 -0.57 132.00 131.53 3m49 h PRO 472 Ca 0.00 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 3m49 h PRO 472 Cb 0.00 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.11 3m49 h PRO 472 CO 0.00 0.33 0.00 1.79 -0.23 0.00 0.00 178.00 179.89 3m49 h THR 473 N 0.15 0.00 -0.14 1.56 1.35 -1.96 -2.92 112.91 110.95 3m49 h THR 473 Ca 0.03 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 3m49 h THR 473 Cb 0.39 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 3m49 h THR 473 CO 0.03 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.71 3m49 n HIS 474 N -2.55 0.18 -3.94 4.73 8.25 -0.25 -4.95 115.22 116.69 3m49 n HIS 474 Ca -0.00 -0.36 -0.35 0.00 -0.26 0.00 0.00 57.72 56.75 3m49 n HIS 474 Cb 0.14 -0.03 -0.14 0.00 1.12 0.00 0.00 29.99 31.09 3m49 n HIS 474 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3m49 s GLU 475 N -0.86 2.65 0.46 -0.41 2.02 -1.05 -4.78 118.70 116.72 3m49 s GLU 475 Ca 0.11 -1.11 -0.25 0.00 0.02 0.00 0.00 54.97 53.74 3m49 s GLU 475 Cb 0.06 -3.06 -0.08 0.00 0.10 0.00 0.00 34.13 31.15 3m49 s GLU 475 CO 0.08 -0.50 1.44 -2.14 0.02 0.00 0.00 175.26 174.17 3m49 s PRO 476 N 1.29 3.63 0.18 0.39 0.02 -1.26 -4.74 135.00 134.51 3m49 s PRO 476 Ca -0.02 2.44 0.00 0.00 0.02 0.00 0.00 61.00 63.43 3m49 s PRO 476 Cb -0.18 -2.63 0.00 0.00 0.02 0.00 0.00 34.50 31.71 3m49 s PRO 476 CO -0.03 -0.87 0.00 -0.89 -0.33 0.00 0.00 177.00 174.88 3m49 n ILE 477 N -0.26 0.43 1.13 2.83 2.08 -1.26 -4.28 119.36 120.03 3m49 n ILE 477 Ca 0.05 0.14 0.12 0.00 0.56 0.00 0.00 62.75 63.63 3m49 n ILE 477 Cb 0.42 -0.95 0.21 0.00 -0.75 0.00 0.00 39.64 38.56 3m49 n ILE 477 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 3m49 n GLU 478 N -3.37 0.82 -0.20 0.38 0.00 -1.26 -0.92 120.64 116.10 3m49 n GLU 478 Ca 0.00 -0.57 0.06 0.00 0.00 0.00 0.00 57.16 56.64 3m49 n GLU 478 Cb 0.04 -1.49 0.33 0.00 0.00 0.00 0.00 31.44 30.32 3m49 n GLU 478 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 3m49 h GLN 479 N 1.40 0.79 0.11 3.44 7.50 -1.94 -1.28 115.11 125.13 3m49 h GLN 479 Ca 0.00 -0.05 -0.01 0.00 0.50 0.00 0.00 58.65 59.10 3m49 h GLN 479 Cb 0.59 -0.18 0.00 0.00 0.05 0.00 0.00 27.48 27.94 3m49 h GLN 479 CO 0.00 0.52 -0.05 -0.07 -1.50 0.00 0.00 178.83 177.73 3m49 h LEU 480 N 0.81 -0.12 -0.95 1.46 3.38 -1.97 -2.58 115.31 115.33 3m49 h LEU 480 Ca 0.32 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.13 3m49 h LEU 480 Cb 0.23 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 3m49 h LEU 480 CO -0.11 0.11 0.63 0.00 0.09 0.00 0.00 178.44 179.16 3m49 h ALA 481 N 0.50 1.23 -0.35 1.53 0.00 -1.77 0.42 119.26 120.82 3m49 h ALA 481 Ca -0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3m49 h ALA 481 Cb 0.30 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3m49 h ALA 481 CO 0.02 0.55 0.08 0.00 0.00 0.00 0.00 179.25 179.91 3m49 h ALA 482 N 1.37 1.49 0.12 0.00 0.00 -1.14 -1.60 119.26 119.50 3m49 h ALA 482 Ca 0.36 -0.14 -0.30 0.00 0.00 0.00 0.00 54.91 54.83 3m49 h ALA 482 Cb -0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3m49 h ALA 482 CO -0.10 0.38 -1.51 -0.07 0.00 0.00 0.00 179.25 177.95 3m49 h LEU 483 N 0.50 0.40 -1.72 0.00 3.38 -0.99 -3.34 115.31 113.54 3m49 h LEU 483 Ca 0.12 -0.54 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 3m49 h LEU 483 Cb 0.20 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3m49 h LEU 483 CO -0.00 1.44 -0.17 0.03 0.09 0.00 0.00 178.44 179.83 3m49 h ARG 484 N 0.07 0.00 -3.49 1.13 3.08 -0.57 -3.46 114.38 111.14 3m49 h ARG 484 Ca -0.23 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.15 3m49 h ARG 484 Cb 2.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.07 3m49 h ARG 484 CO 0.17 0.17 3.42 0.00 -1.07 0.00 0.00 179.97 182.66 3m49 n ALA 485 N -2.36 6.38 -2.50 0.04 0.00 -0.64 -4.99 120.51 116.45 3m49 n ALA 485 Ca -0.02 -3.54 -0.32 0.00 0.00 0.00 0.00 53.44 49.56 3m49 n ALA 485 Cb 0.27 -3.43 -0.12 0.00 0.00 0.00 0.00 19.45 16.17 3m49 n ALA 485 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3m49 s PRO 487 N 2.80 2.41 -1.31 0.00 0.02 -1.26 -5.10 135.00 132.56 3m49 s PRO 487 Ca 0.58 -0.77 -0.08 0.00 0.02 0.00 0.00 61.00 60.75 3m49 s PRO 487 Cb 0.16 -2.36 0.01 0.00 0.02 0.00 0.00 34.50 32.33 3m49 s PRO 487 CO -0.06 0.60 1.15 -1.71 -0.33 0.00 0.00 177.00 176.65 3m49 n ASN 488 N 1.98 -6.14 -4.02 2.53 5.15 -1.26 -4.82 115.26 108.69 3m49 n ASN 488 Ca -0.17 -0.52 -0.26 0.00 -0.60 0.00 0.00 54.58 53.03 3m49 n ASN 488 Cb 0.52 -4.90 -0.17 0.00 -0.53 0.00 0.00 39.78 34.71 3m49 n ASN 488 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3m49 s VAL 489 N -3.31 1.21 -0.11 3.44 1.01 -1.26 -4.11 120.40 117.26 3m49 s VAL 489 Ca 0.55 -0.49 -0.17 0.00 0.00 0.00 0.00 61.98 61.87 3m49 s VAL 489 Cb -0.24 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 3m49 s VAL 489 CO 0.71 0.38 0.45 -0.55 0.00 0.00 0.00 175.10 176.08 3m49 s SER 490 N 0.87 6.66 -0.22 3.32 0.15 -0.53 -4.93 113.70 119.03 3m49 s SER 490 Ca -0.10 0.79 0.02 0.00 0.70 0.00 0.00 55.95 57.35 3m49 s SER 490 Cb -0.15 -2.27 0.04 0.00 -1.71 0.00 0.00 66.02 61.93 3m49 s SER 490 CO 0.01 0.04 -0.16 -0.69 1.20 0.00 0.00 173.24 173.65 3m49 s VAL 491 N 0.45 2.13 -0.13 4.45 1.01 -1.26 -0.06 120.40 126.98 3m49 s VAL 491 Ca 0.24 -1.23 0.02 0.00 0.00 0.00 0.00 61.98 61.01 3m49 s VAL 491 Cb -0.15 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.19 3m49 s VAL 491 CO 0.10 0.29 -0.19 -0.63 0.00 0.00 0.00 175.10 174.67 3m49 s ILE 492 N 1.21 1.81 -0.63 2.22 1.01 -0.45 -4.29 121.20 122.08 3m49 s ILE 492 Ca -0.01 -0.82 0.04 0.00 0.00 0.00 0.00 60.65 59.86 3m49 s ILE 492 Cb -0.16 -1.63 0.15 0.00 0.01 0.00 0.00 42.46 40.84 3m49 s ILE 492 CO -0.09 0.50 0.39 -0.60 0.00 0.00 0.00 174.94 175.14 3m49 s ARG 493 N 0.96 2.26 0.45 2.79 3.52 -0.05 -0.92 118.95 127.97 3m49 s ARG 493 Ca -0.05 -3.04 -0.24 0.00 -0.13 0.00 0.00 55.73 52.27 3m49 s ARG 493 Cb -0.15 -3.39 -0.07 0.00 -1.56 0.00 0.00 34.95 29.78 3m49 s ARG 493 CO -0.03 -1.21 1.29 -1.25 -0.81 0.00 0.00 175.30 173.29 3m49 s PRO 494 N -0.95 3.71 0.27 5.12 0.04 -1.25 -2.08 135.00 139.86 3m49 s PRO 494 Ca 0.21 2.10 0.23 0.00 0.04 0.00 0.00 61.00 63.59 3m49 s PRO 494 Cb -0.14 -2.55 0.27 0.00 0.04 0.00 0.00 34.50 32.12 3m49 s PRO 494 CO -0.09 -0.69 1.37 0.00 0.04 0.00 0.00 177.00 177.62 3m49 h ALA 495 N 2.22 0.74 -2.04 8.56 0.00 -1.90 -3.37 119.26 123.47 3m49 h ALA 495 Ca -0.50 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.43 3m49 h ALA 495 Cb 1.26 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 3m49 h ALA 495 CO 0.61 0.00 0.10 -0.40 0.00 0.00 0.00 179.25 179.56 3m49 n ASP 496 N -2.68 -0.49 -0.19 0.00 5.75 -1.26 -4.59 116.55 113.08 3m49 n ASP 496 Ca 0.03 -1.31 -0.05 0.00 -0.01 0.00 0.00 54.79 53.45 3m49 n ASP 496 Cb 0.51 0.81 0.05 0.00 -1.03 0.00 0.00 41.12 41.46 3m49 n ASP 496 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3m49 h GLY 497 N 0.48 0.80 1.11 6.12 0.00 -1.86 -1.57 103.07 108.13 3m49 h GLY 497 Ca -0.07 -0.25 -0.13 0.00 0.00 0.00 0.00 47.33 46.87 3m49 h GLY 497 CO 0.10 0.20 -0.22 3.43 0.00 0.00 0.00 176.54 180.04 3m49 h ASN 498 N 0.66 1.02 -0.22 0.19 2.35 -1.92 -2.19 115.58 115.47 3m49 h ASN 498 Ca 0.23 -0.40 -0.04 0.00 -0.55 0.00 0.00 56.30 55.54 3m49 h ASN 498 Cb 0.04 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 3m49 h ASN 498 CO -0.11 1.19 0.04 -0.33 -1.65 0.00 0.00 177.43 176.57 3m49 h GLU 499 N 0.84 0.46 -0.02 0.81 5.08 -1.78 -2.10 114.58 117.87 3m49 h GLU 499 Ca 0.11 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 3m49 h GLU 499 Cb 0.81 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 3m49 h GLU 499 CO 0.07 0.46 -0.55 0.66 -1.00 0.00 0.00 179.01 178.66 3m49 h SER 500 N 0.45 0.07 -0.26 1.42 4.64 -0.85 0.24 113.55 119.26 3m49 h SER 500 Ca 0.10 -0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.33 3m49 h SER 500 Cb 0.24 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 3m49 h SER 500 CO 0.00 0.60 -0.06 0.58 -0.87 0.00 0.00 176.83 177.09 3m49 h VAL 501 N 0.05 1.28 -0.89 0.95 2.07 -0.79 -1.56 116.25 117.36 3m49 h VAL 501 Ca -0.00 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 3m49 h VAL 501 Cb 0.98 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 32.16 3m49 h VAL 501 CO 0.07 0.34 0.52 0.00 0.02 0.00 0.00 177.57 178.52 3m49 h ALA 502 N 0.77 1.13 -0.60 1.67 0.00 -1.26 -1.13 119.26 119.84 3m49 h ALA 502 Ca 0.07 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3m49 h ALA 502 Cb 0.53 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3m49 h ALA 502 CO 0.03 0.60 0.21 0.00 0.00 0.00 0.00 179.25 180.09 3m49 h ALA 503 N 1.28 0.79 -0.63 0.00 0.00 -0.77 -0.97 119.26 118.96 3m49 h ALA 503 Ca 0.32 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3m49 h ALA 503 Cb -0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3m49 h ALA 503 CO -0.06 0.43 0.06 -1.49 0.00 0.00 0.00 179.25 178.20 3m49 h TRP 504 N 0.85 1.15 -0.77 0.00 4.06 -1.04 -0.33 115.95 119.87 3m49 h TRP 504 Ca 0.20 -0.18 0.03 0.00 2.06 0.00 0.00 58.89 61.00 3m49 h TRP 504 Cb 0.25 -0.31 -0.05 0.00 -1.00 0.00 0.00 29.16 28.06 3m49 h TRP 504 CO 0.02 0.99 0.49 -0.09 -3.56 0.00 0.00 178.44 176.28 3m49 h ARG 505 N 0.98 0.92 -0.22 0.49 2.43 -0.79 0.77 114.38 118.95 3m49 h ARG 505 Ca 0.19 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 59.17 3m49 h ARG 505 Cb 0.49 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3m49 h ARG 505 CO 0.02 0.61 -0.41 -0.07 -1.51 0.00 0.00 179.97 178.61 3m49 h LEU 506 N 0.94 0.56 -0.22 3.80 3.38 -0.72 -1.76 115.31 121.28 3m49 h LEU 506 Ca 0.31 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3m49 h LEU 506 Cb 0.02 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3m49 h LEU 506 CO -0.12 0.90 0.09 0.00 0.09 0.00 0.00 178.44 179.41 3m49 h ALA 507 N 1.12 0.29 -0.06 1.53 0.00 -0.52 -2.66 119.26 118.96 3m49 h ALA 507 Ca 0.04 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 3m49 h ALA 507 Cb 0.90 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3m49 h ALA 507 CO 0.08 -0.12 -0.34 1.25 0.00 0.00 0.00 179.25 180.11 3m49 h LEU 508 N 0.21 0.13 0.00 0.00 5.85 -0.65 -2.84 115.31 118.01 3m49 h LEU 508 Ca 0.07 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3m49 h LEU 508 Cb 0.17 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3m49 h LEU 508 CO -0.01 0.47 -0.12 -0.62 -0.34 0.00 0.00 178.44 177.82 3m49 n GLU 509 N -4.10 0.12 -1.69 1.25 1.02 -0.68 -4.89 120.64 111.66 3m49 n GLU 509 Ca -0.02 0.08 -0.40 0.00 -0.02 0.00 0.00 57.16 56.80 3m49 n GLU 509 Cb 0.41 -1.62 0.02 0.00 -0.02 0.00 0.00 31.44 30.23 3m49 n GLU 509 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3m49 n SER 510 N -1.82 2.30 0.00 1.62 2.88 -1.01 -4.92 113.62 112.67 3m49 n SER 510 Ca 0.06 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 3m49 n SER 510 Cb 0.38 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.35 3m49 n SER 510 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3m49 n THR 511 N -0.49 0.00 -1.37 2.46 -2.24 -1.26 -4.78 114.28 106.60 3m49 n THR 511 Ca 0.08 -0.04 0.01 0.00 -2.27 0.00 0.00 64.05 61.82 3m49 n THR 511 Cb 0.41 0.53 0.01 0.00 -2.10 0.00 0.00 70.33 69.18 3m49 n THR 511 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3m49 n ASN 512 N -1.40 0.32 -3.59 3.42 0.23 -1.26 -4.44 115.26 108.54 3m49 n ASN 512 Ca 0.00 -1.67 -0.16 0.00 -0.53 0.00 0.00 54.58 52.22 3m49 n ASN 512 Cb 0.00 -0.12 -0.07 0.00 -2.08 0.00 0.00 39.78 37.51 3m49 n ASN 512 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 3m49 s LYS 513 N -0.29 0.91 0.60 -3.83 -2.85 -1.25 -4.32 119.74 108.71 3m49 s LYS 513 Ca 0.02 0.52 -0.16 0.00 -1.00 0.00 0.00 55.97 55.35 3m49 s LYS 513 Cb 0.02 0.43 -0.03 0.00 -2.06 0.00 0.00 37.83 36.20 3m49 s LYS 513 CO 0.00 -0.22 1.08 -1.25 0.10 0.00 0.00 175.35 175.06 3m49 s PRO 514 N -0.53 3.21 -0.10 1.78 0.04 -0.76 -4.09 135.00 134.54 3m49 s PRO 514 Ca -0.06 1.29 0.01 0.00 0.04 0.00 0.00 61.00 62.28 3m49 s PRO 514 Cb -0.02 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.52 3m49 s PRO 514 CO 0.06 -0.91 -0.12 0.99 0.04 0.00 0.00 177.00 177.05 3m49 s THR 515 N -2.35 1.27 -0.31 1.26 2.01 -0.13 -1.45 115.64 115.94 3m49 s THR 515 Ca 0.65 -0.49 -0.11 0.00 0.31 0.00 0.00 61.69 62.05 3m49 s THR 515 Cb -0.18 -1.19 -0.03 0.00 0.01 0.00 0.00 72.50 71.11 3m49 s THR 515 CO 0.36 0.40 0.19 0.00 -0.69 0.00 0.00 174.62 174.89 3m49 s ALA 516 N 1.14 3.45 -0.25 7.40 0.00 0.92 -0.69 121.76 133.73 3m49 s ALA 516 Ca -0.05 -1.26 -0.15 0.00 0.00 0.00 0.00 51.96 50.50 3m49 s ALA 516 Cb -0.14 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.43 3m49 s ALA 516 CO -0.03 -0.77 0.37 -0.51 0.00 0.00 0.00 175.76 174.82 3m49 s LEU 517 N 1.71 4.07 -0.27 0.00 1.43 0.12 -1.34 118.68 124.40 3m49 s LEU 517 Ca 0.06 0.35 -0.06 0.00 -1.03 0.00 0.00 54.13 53.45 3m49 s LEU 517 Cb -0.17 -2.44 -0.00 0.00 0.03 0.00 0.00 46.19 43.61 3m49 s LEU 517 CO 0.09 -0.15 0.04 -0.69 0.23 0.00 0.00 176.35 175.88 3m49 s VAL 518 N 1.83 3.80 0.09 -1.59 1.01 -0.09 -1.20 120.40 124.25 3m49 s VAL 518 Ca 0.16 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.61 3m49 s VAL 518 Cb -0.15 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 3m49 s VAL 518 CO 0.09 0.21 -0.14 -0.76 0.00 0.00 0.00 175.10 174.50 3m49 s LEU 519 N 1.50 2.33 0.24 3.92 1.43 0.01 -3.91 118.68 124.20 3m49 s LEU 519 Ca 0.04 -0.69 -0.06 0.00 -1.03 0.00 0.00 54.13 52.38 3m49 s LEU 519 Cb -0.16 -0.51 -0.06 0.00 0.03 0.00 0.00 46.19 45.49 3m49 s LEU 519 CO 0.01 -0.11 0.51 0.42 0.23 0.00 0.00 176.35 177.41 3m49 s THR 520 N -1.64 5.03 0.07 5.49 -4.23 -1.26 -1.60 115.64 117.50 3m49 s THR 520 Ca 0.02 0.18 -0.10 0.00 -1.18 0.00 0.00 61.69 60.61 3m49 s THR 520 Cb -0.08 -3.67 -0.28 0.00 1.34 0.00 0.00 72.50 69.81 3m49 s THR 520 CO 0.02 -0.16 1.14 -0.09 -0.54 0.00 0.00 174.62 174.99 3m49 h ARG 521 N 2.21 0.49 -6.33 3.99 2.43 -1.92 -2.36 114.38 112.89 3m49 h ARG 521 Ca -0.47 -0.69 -0.54 0.00 -0.81 0.00 0.00 59.98 57.47 3m49 h ARG 521 Cb 1.18 0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.94 3m49 h ARG 521 CO 0.68 1.30 -0.23 1.14 -1.51 0.00 0.00 179.97 181.35 3m49 s GLN 522 N -2.91 3.62 0.34 0.20 0.00 -1.26 -4.80 119.66 114.85 3m49 s GLN 522 Ca -0.07 -0.08 -0.29 0.00 -0.00 0.00 0.00 55.36 54.93 3m49 s GLN 522 Cb 0.06 -2.75 -0.11 0.00 0.00 0.00 0.00 33.01 30.22 3m49 s GLN 522 CO 0.91 0.34 1.39 -0.51 0.00 0.00 0.00 175.29 177.42 3m49 s ASP 523 N -2.87 6.60 0.10 12.60 1.01 -1.26 -4.08 116.67 128.76 3m49 s ASP 523 Ca 0.42 2.82 0.10 0.00 0.71 0.00 0.00 52.55 56.61 3m49 s ASP 523 Cb -0.11 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.13 3m49 s ASP 523 CO 0.27 -0.68 -0.26 -0.76 0.21 0.00 0.00 175.17 173.95 3m49 s LEU 524 N -1.74 2.26 0.44 1.23 1.43 -0.22 -4.79 118.68 117.30 3m49 s LEU 524 Ca 0.52 -0.68 -0.21 0.00 -1.03 0.00 0.00 54.13 52.72 3m49 s LEU 524 Cb -0.43 -1.22 -0.10 0.00 0.03 0.00 0.00 46.19 44.47 3m49 s LEU 524 CO 0.56 0.20 0.97 -2.16 0.23 0.00 0.00 176.35 176.14 3m49 s PRO 525 N -1.73 4.16 0.04 1.29 0.04 -1.26 -1.20 135.00 136.34 3m49 s PRO 525 Ca 0.13 1.18 -0.31 0.00 0.04 0.00 0.00 61.00 62.04 3m49 s PRO 525 Cb -0.10 -2.19 -0.06 0.00 0.04 0.00 0.00 34.50 32.19 3m49 s PRO 525 CO 0.04 -0.09 1.31 0.99 0.04 0.00 0.00 177.00 179.29 3m49 s THR 526 N -2.12 3.78 -0.07 1.26 2.01 -0.66 -4.78 115.64 115.06 3m49 s THR 526 Ca 0.63 1.23 -0.22 0.00 0.31 0.00 0.00 61.69 63.63 3m49 s THR 526 Cb -0.11 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 3m49 s THR 526 CO 0.15 0.06 0.65 -0.76 -0.69 0.00 0.00 174.62 174.02 3m49 s LEU 527 N 1.60 4.32 0.25 4.42 1.43 -1.26 -4.65 118.68 124.79 3m49 s LEU 527 Ca 0.61 1.12 -0.04 0.00 -1.03 0.00 0.00 54.13 54.79 3m49 s LEU 527 Cb -0.31 -3.00 0.36 0.00 0.03 0.00 0.00 46.19 43.27 3m49 s LEU 527 CO 0.28 -0.08 1.86 -0.33 0.23 0.00 0.00 176.35 178.31 3m49 h GLU 528 N 6.67 0.99 0.00 1.70 5.08 -1.94 -2.29 114.58 124.78 3m49 h GLU 528 Ca -0.41 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3m49 h GLU 528 Cb 1.19 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.22 3m49 h GLU 528 CO 0.75 0.65 0.00 0.41 -1.00 0.00 0.00 179.01 179.82 3m49 n GLY 529 N -1.34 -1.45 0.14 -3.84 0.00 -1.26 -2.69 105.19 94.76 3m49 n GLY 529 Ca 0.13 0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.29 3m49 n GLY 529 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m49 n ALA 530 N -1.76 4.37 -0.05 4.61 0.00 -0.88 -4.68 120.51 122.12 3m49 n ALA 530 Ca 0.04 -0.60 -0.15 0.00 0.00 0.00 0.00 53.44 52.73 3m49 n ALA 530 Cb 0.31 -0.79 -0.07 0.00 0.00 0.00 0.00 19.45 18.90 3m49 n ALA 530 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3m49 h LYS 531 N 0.69 0.52 -5.92 0.00 1.63 -1.29 -3.37 116.57 108.83 3m49 h LYS 531 Ca 0.00 -0.35 -0.60 0.00 -0.85 0.00 0.00 60.65 58.85 3m49 h LYS 531 Cb 0.57 0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 32.19 3m49 h LYS 531 CO 0.00 0.96 -0.19 -0.51 -3.45 0.00 0.00 179.45 176.26 3m49 s ASP 532 N -6.50 6.77 -1.48 4.20 1.01 -1.26 -4.32 116.67 115.08 3m49 s ASP 532 Ca -0.13 0.91 -0.07 0.00 0.71 0.00 0.00 52.55 53.97 3m49 s ASP 532 Cb 0.06 -2.26 0.01 0.00 1.01 0.00 0.00 42.92 41.75 3m49 s ASP 532 CO 0.81 0.24 0.85 -0.67 0.21 0.00 0.00 175.17 176.61 3m49 n ASP 533 N 2.31 -6.11 -0.21 0.27 2.03 -1.26 -4.89 116.55 108.68 3m49 n ASP 533 Ca -0.12 -0.41 -0.04 0.00 0.52 0.00 0.00 54.79 54.74 3m49 n ASP 533 Cb 0.52 -4.89 0.06 0.00 -0.72 0.00 0.00 41.12 36.10 3m49 n ASP 533 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 3m49 h THR 534 N -1.92 1.06 -0.23 5.18 2.02 -1.75 -1.88 112.91 115.38 3m49 h THR 534 Ca -0.55 -0.25 0.02 0.00 0.77 0.00 0.00 66.41 66.41 3m49 h THR 534 Cb 1.37 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 3m49 h THR 534 CO 0.57 0.13 0.08 0.22 0.37 0.00 0.00 175.52 176.89 3m49 h TYR 535 N 0.73 0.14 -0.19 3.16 3.20 -1.90 0.23 116.97 122.34 3m49 h TYR 535 Ca 0.25 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.05 3m49 h TYR 535 Cb 0.04 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 3m49 h TYR 535 CO -0.06 0.07 -0.24 0.93 -1.64 0.00 0.00 178.16 177.22 3m49 h GLU 536 N 0.19 0.35 0.13 1.82 4.39 -1.89 -0.27 114.58 119.30 3m49 h GLU 536 Ca 0.10 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 3m49 h GLU 536 Cb 0.07 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 3m49 h GLU 536 CO -0.10 0.57 -0.06 0.87 -1.16 0.00 0.00 179.01 179.13 3m49 h LYS 537 N 0.32 -0.17 -0.46 2.33 1.57 -0.85 -3.00 116.57 116.31 3m49 h LYS 537 Ca 0.05 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 3m49 h LYS 537 Cb 0.59 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 3m49 h LYS 537 CO 0.04 0.16 -0.03 0.28 -0.57 0.00 0.00 179.45 179.33 3m49 h VAL 538 N -0.52 1.24 -0.45 0.50 2.07 -0.88 -2.02 116.25 116.19 3m49 h VAL 538 Ca -0.02 -1.03 0.12 0.00 0.82 0.00 0.00 66.70 66.59 3m49 h VAL 538 Cb 0.41 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3m49 h VAL 538 CO 0.03 0.36 0.32 0.00 0.02 0.00 0.00 177.57 178.30 3m49 h ALA 539 N 1.25 2.37 0.00 1.67 0.00 -1.06 0.38 119.26 123.87 3m49 h ALA 539 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3m49 h ALA 539 Cb 0.48 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3m49 h ALA 539 CO 0.02 -0.49 0.00 1.63 0.00 0.00 0.00 179.25 180.41 3m49 n LYS 540 N -4.42 0.14 0.00 0.00 4.76 -0.76 -4.82 118.16 113.06 3m49 n LYS 540 Ca 0.08 0.23 0.00 0.00 -2.87 0.00 0.00 58.31 55.74 3m49 n LYS 540 Cb 0.50 -1.71 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 3m49 n LYS 540 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3m49 n GLY 541 N 0.81 1.78 3.03 0.72 0.00 0.12 -3.33 105.19 108.32 3m49 n GLY 541 Ca 0.05 -0.28 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 3m49 n GLY 541 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m49 s ALA 542 N -0.22 -0.15 0.18 4.61 0.00 -1.26 -1.26 121.76 123.65 3m49 s ALA 542 Ca 0.00 -0.18 -0.18 0.00 0.00 0.00 0.00 51.96 51.60 3m49 s ALA 542 Cb 0.00 0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.21 3m49 s ALA 542 CO 0.00 -0.15 0.52 1.52 0.00 0.00 0.00 175.76 177.66 3m49 s TYR 543 N -1.02 -0.18 -0.48 0.00 1.13 -0.51 -5.00 117.35 111.29 3m49 s TYR 543 Ca -0.11 -0.15 -0.29 0.00 -1.41 0.00 0.00 57.07 55.12 3m49 s TYR 543 Cb -0.07 0.41 0.03 0.00 -1.10 0.00 0.00 41.96 41.23 3m49 s TYR 543 CO 0.00 -0.89 1.12 0.08 -2.51 0.00 0.00 175.55 173.35 3m49 s VAL 544 N -3.85 4.23 -0.11 -3.49 1.01 -1.26 -1.49 120.40 115.43 3m49 s VAL 544 Ca 0.07 1.19 0.15 0.00 0.00 0.00 0.00 61.98 63.40 3m49 s VAL 544 Cb -0.01 -4.59 -0.08 0.00 0.00 0.00 0.00 36.38 31.70 3m49 s VAL 544 CO -0.05 -0.99 1.05 1.62 0.00 0.00 0.00 175.10 176.73 3m49 h VAL 545 N 6.22 0.72 -2.09 2.92 3.04 -1.19 -3.44 116.25 122.42 3m49 h VAL 545 Ca -0.23 -2.20 -0.26 0.00 -1.01 0.00 0.00 66.70 63.00 3m49 h VAL 545 Cb 1.06 2.23 -0.32 0.00 -2.01 0.00 0.00 31.29 32.25 3m49 h VAL 545 CO 1.12 0.41 -0.58 -0.55 -1.01 0.00 0.00 177.57 176.96 3m49 s SER 546 N -6.08 1.08 0.63 3.17 0.15 -0.94 -4.03 113.70 107.68 3m49 s SER 546 Ca -0.00 -0.37 -0.16 0.00 0.70 0.00 0.00 55.95 56.11 3m49 s SER 546 Cb 0.08 0.72 -0.02 0.00 -1.71 0.00 0.00 66.02 65.10 3m49 s SER 546 CO 0.79 -0.35 1.12 0.00 1.20 0.00 0.00 173.24 176.00 3m49 s ALA 547 N 2.43 2.52 0.76 5.45 0.00 -1.26 -0.63 121.76 131.02 3m49 s ALA 547 Ca 0.10 0.64 -0.11 0.00 0.00 0.00 0.00 51.96 52.58 3m49 s ALA 547 Cb -0.14 -3.34 0.05 0.00 0.00 0.00 0.00 23.12 19.69 3m49 s ALA 547 CO -0.25 -1.15 1.09 -1.54 0.00 0.00 0.00 175.76 173.91 3m49 s SER 548 N -2.33 4.88 0.03 0.00 1.04 -1.25 -4.80 113.70 111.28 3m49 s SER 548 Ca 0.69 1.32 -0.19 0.00 0.48 0.00 0.00 55.95 58.25 3m49 s SER 548 Cb -0.22 -2.10 -0.18 0.00 0.10 0.00 0.00 66.02 63.62 3m49 s SER 548 CO 0.37 -1.72 1.22 0.11 0.98 0.00 0.00 173.24 174.21 3m49 h LYS 549 N -0.92 0.43 -7.34 4.02 1.57 -1.91 -3.45 116.57 108.98 3m49 h LYS 549 Ca -0.46 -0.34 -0.51 0.00 -1.87 0.00 0.00 60.65 57.48 3m49 h LYS 549 Cb 1.25 0.06 0.06 0.00 0.08 0.00 0.00 32.23 33.69 3m49 h LYS 549 CO 0.60 0.97 0.41 0.15 -0.57 0.00 0.00 179.45 181.00 3m49 s LYS 550 N -3.73 3.59 0.20 3.15 1.02 -1.26 -4.96 119.74 117.74 3m49 s LYS 550 Ca -0.13 0.79 -0.10 0.00 0.02 0.00 0.00 55.97 56.55 3m49 s LYS 550 Cb 0.05 -2.08 0.13 0.00 -0.52 0.00 0.00 37.83 35.41 3m49 s LYS 550 CO 0.80 -0.58 1.79 1.49 -0.92 0.00 0.00 175.35 177.94 3m49 h GLU 551 N -0.19 1.02 -4.70 1.68 4.22 -2.03 -3.38 114.58 111.20 3m49 h GLU 551 Ca -0.44 -0.14 -0.69 0.00 0.08 0.00 0.00 59.36 58.16 3m49 h GLU 551 Cb 1.19 -0.19 -0.28 0.00 0.50 0.00 0.00 28.75 29.97 3m49 h GLU 551 CO 0.61 0.79 -0.61 0.99 -2.18 0.00 0.00 179.01 178.62 3m49 s THR 552 N -5.74 3.86 0.71 0.32 2.01 -1.26 -5.03 115.64 110.51 3m49 s THR 552 Ca -0.13 -1.02 -0.15 0.00 0.31 0.00 0.00 61.69 60.70 3m49 s THR 552 Cb 0.14 -3.14 0.03 0.00 0.01 0.00 0.00 72.50 69.55 3m49 s THR 552 CO 0.80 -0.12 1.21 0.00 -0.69 0.00 0.00 174.62 175.82 3m49 s ALA 553 N 1.43 2.17 0.17 7.40 0.00 -1.26 -4.95 121.76 126.72 3m49 s ALA 553 Ca -0.01 0.92 -0.03 0.00 0.00 0.00 0.00 51.96 52.84 3m49 s ALA 553 Cb -0.19 -3.48 0.04 0.00 0.00 0.00 0.00 23.12 19.50 3m49 s ALA 553 CO 0.03 -1.81 1.43 -0.44 0.00 0.00 0.00 175.76 174.97 3m49 h ASP 554 N -0.15 0.54 -4.86 0.00 3.32 -0.91 -3.47 116.42 110.89 3m49 h ASP 554 Ca -0.48 -0.35 -0.10 0.00 0.02 0.00 0.00 57.03 56.12 3m49 h ASP 554 Cb 1.30 -0.16 -0.20 0.00 0.22 0.00 0.00 39.33 40.49 3m49 h ASP 554 CO 0.50 1.09 -0.15 -0.69 -1.72 0.00 0.00 179.24 178.27 3m49 s VAL 555 N -3.67 0.04 -0.18 -1.35 1.01 -1.18 -4.67 120.40 110.41 3m49 s VAL 555 Ca -0.06 -0.30 -0.04 0.00 0.00 0.00 0.00 61.98 61.58 3m49 s VAL 555 Cb 0.10 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 3m49 s VAL 555 CO 0.85 -0.17 -0.04 -0.63 0.00 0.00 0.00 175.10 175.11 3m49 s ILE 556 N -1.11 3.68 -0.21 2.22 1.01 -0.34 -1.24 121.20 125.22 3m49 s ILE 556 Ca -0.11 -0.42 -0.14 0.00 0.00 0.00 0.00 60.65 59.98 3m49 s ILE 556 Cb -0.04 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.76 3m49 s ILE 556 CO 0.05 0.46 0.30 -0.76 0.00 0.00 0.00 174.94 175.00 3m49 s LEU 557 N 0.77 4.15 -0.09 2.97 1.43 0.93 -0.81 118.68 128.03 3m49 s LEU 557 Ca -0.02 0.38 -0.00 0.00 -1.03 0.00 0.00 54.13 53.46 3m49 s LEU 557 Cb -0.15 -2.36 -0.03 0.00 0.03 0.00 0.00 46.19 43.69 3m49 s LEU 557 CO 0.02 -0.01 -0.06 -0.76 0.23 0.00 0.00 176.35 175.78 3m49 s LEU 558 N 1.12 3.21 0.19 1.79 1.02 0.40 -0.31 118.68 126.11 3m49 s LEU 558 Ca 0.15 -0.03 -0.16 0.00 0.02 0.00 0.00 54.13 54.10 3m49 s LEU 558 Cb -0.14 -1.72 0.02 0.00 0.02 0.00 0.00 46.19 44.37 3m49 s LEU 558 CO 0.06 0.32 0.50 0.00 0.02 0.00 0.00 176.35 177.25 3m49 s ALA 559 N -0.55 -0.82 0.09 4.21 0.00 -0.59 -0.10 121.76 124.00 3m49 s ALA 559 Ca 0.08 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 51.74 3m49 s ALA 559 Cb -0.12 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 3m49 s ALA 559 CO 0.02 -0.79 -0.06 0.95 0.00 0.00 0.00 175.76 175.88 3m49 s THR 560 N -3.89 0.61 0.00 0.00 -4.23 -1.24 -4.28 115.64 102.61 3m49 s THR 560 Ca 0.10 -1.88 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 3m49 s THR 560 Cb -0.01 -1.61 0.00 0.00 1.34 0.00 0.00 72.50 72.23 3m49 s THR 560 CO -0.02 -0.87 0.00 0.61 -0.54 0.00 0.00 174.62 173.79 3m49 n GLY 561 N 0.05 2.64 0.02 3.99 0.00 -0.88 -1.23 105.19 109.77 3m49 n GLY 561 Ca -0.13 -0.13 0.04 0.00 0.00 0.00 0.00 46.02 45.80 3m49 n GLY 561 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3m49 n SER 562 N 1.47 0.06 -0.04 1.61 3.41 -1.26 -2.13 113.62 116.75 3m49 n SER 562 Ca 0.00 0.52 0.13 0.00 -0.26 0.00 0.00 58.87 59.26 3m49 n SER 562 Cb 0.00 -0.53 0.34 0.00 -0.26 0.00 0.00 64.21 63.75 3m49 n SER 562 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3m49 n GLU 563 N -1.58 0.15 -0.14 4.33 4.71 -0.37 -4.19 120.64 123.55 3m49 n GLU 563 Ca 0.01 -0.08 -0.11 0.00 -0.01 0.00 0.00 57.16 56.98 3m49 n GLU 563 Cb 0.08 -1.50 -0.01 0.00 -1.01 0.00 0.00 31.44 29.00 3m49 n GLU 563 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3m49 h VAL 564 N 0.19 1.28 -0.87 2.62 2.07 -1.48 -0.66 116.25 119.39 3m49 h VAL 564 Ca 0.00 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.26 3m49 h VAL 564 Cb 0.49 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 3m49 h VAL 564 CO 0.00 0.42 0.52 0.77 0.02 0.00 0.00 177.57 179.30 3m49 h SER 565 N 0.65 1.05 -0.46 0.57 4.64 -1.79 -0.65 113.55 117.55 3m49 h SER 565 Ca 0.10 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.34 3m49 h SER 565 Cb 0.68 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 3m49 h SER 565 CO 0.05 0.81 0.22 0.25 -0.87 0.00 0.00 176.83 177.28 3m49 h LEU 566 N 1.20 0.62 -1.03 5.97 5.85 -1.66 -1.63 115.31 124.63 3m49 h LEU 566 Ca 0.31 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 3m49 h LEU 566 Cb -0.04 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 3m49 h LEU 566 CO -0.06 0.58 0.32 0.00 -0.34 0.00 0.00 178.44 178.95 3m49 h ALA 567 N 1.06 1.24 -0.40 1.25 0.00 -0.51 -0.08 119.26 121.82 3m49 h ALA 567 Ca 0.16 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3m49 h ALA 567 Cb 0.14 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3m49 h ALA 567 CO -0.02 0.57 0.06 0.28 0.00 0.00 0.00 179.25 180.14 3m49 h VAL 568 N 1.00 1.24 -0.92 0.00 2.07 -0.81 0.46 116.25 119.29 3m49 h VAL 568 Ca 0.24 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 3m49 h VAL 568 Cb 0.13 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 3m49 h VAL 568 CO -0.03 0.30 0.57 -0.33 0.02 0.00 0.00 177.57 178.10 3m49 h GLU 569 N 0.52 1.24 -0.48 1.57 4.39 -0.99 -2.21 114.58 118.63 3m49 h GLU 569 Ca 0.12 -0.10 -0.07 0.00 0.34 0.00 0.00 59.36 59.65 3m49 h GLU 569 Cb 0.39 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 3m49 h GLU 569 CO 0.01 0.86 0.01 0.00 -1.16 0.00 0.00 179.01 178.73 3m49 h ALA 570 N 1.31 1.13 -0.69 3.43 0.00 -0.73 -2.16 119.26 121.55 3m49 h ALA 570 Ca 0.33 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3m49 h ALA 570 Cb -0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3m49 h ALA 570 CO -0.06 0.56 0.46 0.37 0.00 0.00 0.00 179.25 180.57 3m49 h GLN 571 N 0.74 0.90 -0.15 0.00 4.15 -0.36 0.13 115.11 120.52 3m49 h GLN 571 Ca 0.15 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.51 3m49 h GLN 571 Cb 0.43 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 3m49 h GLN 571 CO 0.02 0.60 0.10 0.87 -1.93 0.00 0.00 178.83 178.48 3m49 h LYS 572 N 0.93 0.20 -0.20 1.69 1.57 -1.15 -1.36 116.57 118.25 3m49 h LYS 572 Ca 0.25 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.95 3m49 h LYS 572 Cb -0.10 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 3m49 h LYS 572 CO -0.06 0.13 -0.19 0.00 -0.57 0.00 0.00 179.45 178.76 3m49 h ALA 573 N 1.06 1.30 -0.43 3.86 0.00 -1.10 -2.63 119.26 121.32 3m49 h ALA 573 Ca 0.06 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 3m49 h ALA 573 Cb -0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3m49 h ALA 573 CO -0.02 0.47 -0.20 -0.07 0.00 0.00 0.00 179.25 179.43 3m49 h LEU 574 N 0.32 0.87 -1.34 0.00 3.38 -0.49 -3.13 115.31 114.91 3m49 h LEU 574 Ca 0.06 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 3m49 h LEU 574 Cb 0.53 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3m49 h LEU 574 CO 0.03 1.04 -0.21 0.00 0.09 0.00 0.00 178.44 179.40 3m49 h ALA 575 N 1.02 1.46 -0.43 1.53 0.00 -0.88 -0.49 119.26 121.47 3m49 h ALA 575 Ca 0.11 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3m49 h ALA 575 Cb 0.73 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3m49 h ALA 575 CO 0.06 0.39 0.20 0.28 0.00 0.00 0.00 179.25 180.17 3m49 h VAL 576 N 0.16 1.15 -0.50 0.00 2.07 -1.46 -1.93 116.25 115.75 3m49 h VAL 576 Ca 0.03 -0.44 -0.09 0.00 0.82 0.00 0.00 66.70 67.02 3m49 h VAL 576 Cb 0.47 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 30.80 3m49 h VAL 576 CO 0.03 0.18 0.12 0.47 0.02 0.00 0.00 177.57 178.39 3m49 n ASP 577 N -4.39 4.29 -0.31 0.57 10.43 -0.32 -4.90 116.55 121.92 3m49 n ASP 577 Ca 0.03 -2.81 -0.04 0.00 2.57 0.00 0.00 54.79 54.54 3m49 n ASP 577 Cb 0.13 -0.67 -0.02 0.00 1.84 0.00 0.00 41.12 42.40 3m49 n ASP 577 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3m49 n GLY 578 N 0.18 0.67 3.46 0.44 0.00 -0.72 -5.01 105.19 104.21 3m49 n GLY 578 Ca 0.26 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 3m49 n GLY 578 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m49 s VAL 579 N -2.01 4.45 -0.53 1.61 1.01 -0.47 -4.99 120.40 119.47 3m49 s VAL 579 Ca 0.00 -0.20 -0.17 0.00 0.00 0.00 0.00 61.98 61.61 3m49 s VAL 579 Cb 0.00 -3.13 0.10 0.00 0.00 0.00 0.00 36.38 33.35 3m49 s VAL 579 CO 0.00 0.27 0.53 -0.62 0.00 0.00 0.00 175.10 175.28 3m49 s ASP 580 N 1.63 6.18 -0.07 3.32 2.15 -1.26 -2.70 116.67 125.91 3m49 s ASP 580 Ca 0.06 -1.47 -0.03 0.00 0.43 0.00 0.00 52.55 51.54 3m49 s ASP 580 Cb -0.16 -2.23 -0.04 0.00 -0.30 0.00 0.00 42.92 40.20 3m49 s ASP 580 CO 0.05 -0.85 0.09 0.00 -0.17 0.00 0.00 175.17 174.28 3m49 s ALA 581 N 1.96 3.63 0.16 3.66 0.00 -1.26 -0.12 121.76 129.79 3m49 s ALA 581 Ca 0.07 -0.76 -0.10 0.00 0.00 0.00 0.00 51.96 51.16 3m49 s ALA 581 Cb -0.26 -1.71 -0.07 0.00 0.00 0.00 0.00 23.12 21.09 3m49 s ALA 581 CO 0.06 0.64 0.49 0.45 0.00 0.00 0.00 175.76 177.39 3m49 s SER 582 N -1.24 6.66 -0.14 0.00 0.15 -0.37 -3.78 113.70 114.97 3m49 s SER 582 Ca 0.17 0.88 0.01 0.00 0.70 0.00 0.00 55.95 57.72 3m49 s SER 582 Cb -0.12 -2.21 -0.00 0.00 -1.71 0.00 0.00 66.02 61.98 3m49 s SER 582 CO 0.07 0.05 -0.17 -0.69 1.20 0.00 0.00 173.24 173.70 3m49 s VAL 583 N -1.60 2.51 -0.18 4.45 1.01 0.20 -0.05 120.40 126.74 3m49 s VAL 583 Ca 0.41 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 3m49 s VAL 583 Cb -0.13 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.20 3m49 s VAL 583 CO 0.20 0.53 -0.09 -0.69 0.00 0.00 0.00 175.10 175.05 3m49 s VAL 584 N 0.69 3.13 0.25 2.92 1.01 0.58 -0.65 120.40 128.33 3m49 s VAL 584 Ca -0.08 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.30 3m49 s VAL 584 Cb -0.16 -2.38 0.05 0.00 0.00 0.00 0.00 36.38 33.90 3m49 s VAL 584 CO 0.02 0.47 0.35 -0.24 0.00 0.00 0.00 175.10 175.70 3m49 n SER 585 N 4.31 0.44 0.00 3.32 2.88 -0.56 -1.54 113.62 122.47 3m49 n SER 585 Ca -0.18 -1.38 0.00 0.00 -1.33 0.00 0.00 58.87 55.98 3m49 n SER 585 Cb 0.51 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.75 3m49 n SER 585 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3m49 n PRO 587 N -1.65 0.00 -4.08 -1.46 -0.04 -0.84 -1.42 135.00 125.52 3m49 n PRO 587 Ca 0.06 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.35 3m49 n PRO 587 Cb 0.20 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.61 3m49 n PRO 587 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3m49 n SER 588 N -0.17 -1.11 0.00 3.54 2.88 -0.39 -0.88 113.62 117.50 3m49 n SER 588 Ca 0.00 -3.01 0.00 0.00 -1.33 0.00 0.00 58.87 54.53 3m49 n SER 588 Cb 0.00 2.21 0.00 0.00 -0.75 0.00 0.00 64.21 65.67 3m49 n SER 588 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3m49 n ASP 590 N -1.65 0.00 0.02 -3.46 5.68 -1.26 -1.84 116.55 114.04 3m49 n ASP 590 Ca 0.03 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.28 3m49 n ASP 590 Cb 0.59 0.00 0.17 0.00 -1.14 0.00 0.00 41.12 40.75 3m49 n ASP 590 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 3m49 h ARG 591 N 0.00 0.47 -0.33 0.11 3.08 -1.91 -3.01 114.38 112.78 3m49 h ARG 591 Ca 0.00 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 59.81 3m49 h ARG 591 Cb 0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3m49 h ARG 591 CO 0.00 0.74 0.06 0.35 -1.07 0.00 0.00 179.97 180.05 3m49 h PHE 592 N 0.40 0.58 -0.10 3.04 3.57 -1.36 -2.72 116.94 120.36 3m49 h PHE 592 Ca 0.05 -0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.50 3m49 h PHE 592 Cb 0.77 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.35 3m49 h PHE 592 CO 0.03 0.62 0.10 0.93 -2.23 0.00 0.00 178.31 177.75 3m49 h GLU 593 N 0.38 0.00 0.00 1.11 4.39 -1.81 -0.41 114.58 118.24 3m49 h GLU 593 Ca 0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 3m49 h GLU 593 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 3m49 h GLU 593 CO 0.01 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.86 3m49 n ALA 594 N -2.37 2.46 -1.91 3.43 0.00 -1.03 -4.91 120.51 116.19 3m49 n ALA 594 Ca -0.00 -0.14 -0.28 0.00 0.00 0.00 0.00 53.44 53.01 3m49 n ALA 594 Cb 0.21 -1.48 0.09 0.00 0.00 0.00 0.00 19.45 18.27 3m49 n ALA 594 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3m49 s GLN 595 N -2.57 1.95 0.70 0.00 -1.52 -0.17 -5.03 119.66 113.03 3m49 s GLN 595 Ca 0.28 -0.04 -0.11 0.00 -1.95 0.00 0.00 55.36 53.54 3m49 s GLN 595 Cb 0.20 -2.01 0.01 0.00 -0.22 0.00 0.00 33.01 30.99 3m49 s GLN 595 CO 0.45 -1.54 1.06 0.95 -0.25 0.00 0.00 175.29 175.97 3m49 s THR 596 N -3.49 3.95 0.26 -0.19 -4.23 -1.26 -4.85 115.64 105.81 3m49 s THR 596 Ca 0.62 0.63 -0.05 0.00 -1.18 0.00 0.00 61.69 61.71 3m49 s THR 596 Cb -0.10 -3.39 0.26 0.00 1.34 0.00 0.00 72.50 70.61 3m49 s THR 596 CO 0.48 -0.83 1.92 0.00 -0.54 0.00 0.00 174.62 175.65 3m49 h ALA 597 N -0.74 1.31 -0.47 3.99 0.00 -1.97 -1.28 119.26 120.10 3m49 h ALA 597 Ca -0.44 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.43 3m49 h ALA 597 Cb 1.22 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 3m49 h ALA 597 CO 0.57 0.61 0.29 1.49 0.00 0.00 0.00 179.25 182.22 3m49 h GLU 598 N 1.32 0.56 -0.24 0.00 4.81 -1.99 -0.47 114.58 118.57 3m49 h GLU 598 Ca 0.38 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.56 3m49 h GLU 598 Cb -0.09 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 3m49 h GLU 598 CO -0.10 0.37 0.10 -0.92 -0.73 0.00 0.00 179.01 177.73 3m49 h TYR 599 N 0.58 0.37 -0.78 0.92 3.20 -1.69 -2.42 116.97 117.15 3m49 h TYR 599 Ca 0.18 -0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.04 3m49 h TYR 599 Cb -0.01 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.11 3m49 h TYR 599 CO -0.06 0.39 0.51 0.87 -1.64 0.00 0.00 178.16 178.22 3m49 h LYS 600 N 0.24 0.99 -0.14 1.82 1.57 -1.10 -1.19 116.57 118.76 3m49 h LYS 600 Ca 0.08 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3m49 h LYS 600 Cb 0.17 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3m49 h LYS 600 CO -0.01 0.65 0.05 1.49 -0.57 0.00 0.00 179.45 181.07 3m49 h GLU 601 N 1.02 0.19 0.00 3.15 4.57 -0.94 0.78 114.58 123.34 3m49 h GLU 601 Ca 0.29 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.39 3m49 h GLU 601 Cb -0.07 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 3m49 h GLU 601 CO -0.08 0.16 -0.32 0.66 -1.18 0.00 0.00 179.01 178.25 3m49 h SER 602 N 0.19 0.00 0.05 1.04 4.64 -0.72 -2.73 113.55 116.03 3m49 h SER 602 Ca 0.05 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.03 3m49 h SER 602 Cb 0.04 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.10 3m49 h SER 602 CO -0.01 0.32 -1.87 0.52 -0.87 0.00 0.00 176.83 174.92 3m49 n VAL 603 N -3.35 1.64 -3.70 0.95 0.31 -0.87 -4.71 118.33 108.59 3m49 n VAL 603 Ca 0.01 -0.40 -0.27 0.00 -0.01 0.00 0.00 64.34 63.66 3m49 n VAL 603 Cb 0.54 -1.82 -0.11 0.00 -0.91 0.00 0.00 33.84 31.54 3m49 n VAL 603 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3m49 n LEU 604 N -3.87 2.53 -4.71 7.52 4.77 0.21 -4.94 117.00 118.51 3m49 n LEU 604 Ca -0.36 -5.11 -0.43 0.00 -0.03 0.00 0.00 56.01 50.07 3m49 n LEU 604 Cb 0.90 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 3m49 n LEU 604 CO 0.28 1.84 1.28 -2.65 -1.33 0.00 0.00 177.39 176.82 3m49 n PRO 605 N 1.84 2.60 0.30 3.23 -0.02 -1.03 -4.52 135.00 137.40 3m49 n PRO 605 Ca 0.23 0.93 0.15 0.00 -2.02 0.00 0.00 63.50 62.80 3m49 n PRO 605 Cb 0.39 -2.74 0.90 0.00 -0.02 0.00 0.00 33.50 32.03 3m49 n PRO 605 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3m49 h LYS 606 N 5.91 0.00 0.00 -0.52 2.10 -1.93 -1.10 116.57 121.03 3m49 h LYS 606 Ca -0.45 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.17 3m49 h LYS 606 Cb 1.22 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.55 3m49 h LYS 606 CO 0.89 0.00 -0.18 0.00 -2.00 0.00 0.00 179.45 178.17 3m49 h ALA 607 N 2.00 1.00 -2.05 0.07 0.00 -1.97 -3.39 119.26 114.91 3m49 h ALA 607 Ca -0.00 -0.16 -0.69 0.00 0.00 0.00 0.00 54.91 54.06 3m49 h ALA 607 Cb 0.01 -0.03 -0.19 0.00 0.00 0.00 0.00 17.79 17.59 3m49 h ALA 607 CO 0.00 0.22 0.05 0.08 0.00 0.00 0.00 179.25 179.60 3m49 s VAL 608 N -3.60 4.87 -1.81 0.00 1.01 -0.42 -4.88 120.40 115.58 3m49 s VAL 608 Ca 0.01 -0.64 0.20 0.00 0.00 0.00 0.00 61.98 61.56 3m49 s VAL 608 Cb 0.09 -4.34 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 3m49 s VAL 608 CO 0.62 -0.88 1.00 0.35 0.00 0.00 0.00 175.10 176.19 3m49 n THR 609 N 5.59 0.00 -2.78 3.92 -2.24 -1.26 -4.77 114.28 112.73 3m49 n THR 609 Ca -0.07 -0.28 -0.43 0.00 -2.27 0.00 0.00 64.05 61.00 3m49 n THR 609 Cb 0.45 1.23 -0.04 0.00 -2.10 0.00 0.00 70.33 69.86 3m49 n THR 609 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3m49 s LYS 610 N -2.30 3.30 -0.03 -0.78 -0.14 -1.26 -4.08 119.74 114.45 3m49 s LYS 610 Ca 0.16 -0.30 0.01 0.00 -1.36 0.00 0.00 55.97 54.49 3m49 s LYS 610 Cb 0.16 -4.09 0.02 0.00 -1.68 0.00 0.00 37.83 32.24 3m49 s LYS 610 CO 0.52 -1.64 -0.04 1.03 -0.76 0.00 0.00 175.35 174.47 3m49 s ARG 611 N 4.28 0.65 -0.13 1.68 0.52 -1.26 -1.20 118.95 123.49 3m49 s ARG 611 Ca 0.31 -0.08 -0.01 0.00 -0.52 0.00 0.00 55.73 55.44 3m49 s ARG 611 Cb -0.12 -0.69 0.03 0.00 0.52 0.00 0.00 34.95 34.69 3m49 s ARG 611 CO 0.18 -0.06 -0.05 0.12 0.02 0.00 0.00 175.30 175.50 3m49 s PHE 612 N 0.78 1.45 -0.02 -0.53 2.19 0.01 -1.28 117.98 120.58 3m49 s PHE 612 Ca -0.10 -0.81 -0.03 0.00 0.33 0.00 0.00 56.93 56.32 3m49 s PHE 612 Cb -0.13 -1.21 -0.04 0.00 -1.31 0.00 0.00 43.02 40.34 3m49 s PHE 612 CO -0.00 -0.54 0.17 0.00 1.83 0.00 0.00 175.22 176.68 3m49 s ALA 613 N 1.72 3.92 -0.08 11.12 0.00 -0.59 -0.45 121.76 137.41 3m49 s ALA 613 Ca 0.03 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.22 3m49 s ALA 613 Cb -0.14 -1.87 0.03 0.00 0.00 0.00 0.00 23.12 21.14 3m49 s ALA 613 CO -0.08 0.73 -0.02 0.42 0.00 0.00 0.00 175.76 176.82 3m49 s ILE 614 N -1.29 0.50 0.00 0.00 1.01 0.86 -0.33 121.20 121.94 3m49 s ILE 614 Ca 0.26 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.94 3m49 s ILE 614 Cb -0.13 -0.62 0.00 0.00 0.01 0.00 0.00 42.46 41.72 3m49 s ILE 614 CO 0.17 0.28 0.00 1.21 0.00 0.00 0.00 174.94 176.60 3m49 n GLU 615 N 5.02 0.00 -0.66 2.79 2.13 -0.90 -3.64 120.64 125.38 3m49 n GLU 615 Ca -0.09 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.81 3m49 n GLU 615 Cb 0.50 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.19 3m49 n GLU 615 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3m49 n GLY 617 N 0.00 -1.81 3.57 8.31 0.00 -1.26 -4.16 105.19 109.85 3m49 n GLY 617 Ca 0.00 -1.35 -0.38 0.00 0.00 0.00 0.00 46.02 44.29 3m49 n GLY 617 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m49 n ALA 618 N -2.04 -0.22 0.41 4.61 0.00 -0.09 -1.11 120.51 122.07 3m49 n ALA 618 Ca -0.00 0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.58 3m49 n ALA 618 Cb 0.30 -2.02 0.42 0.00 0.00 0.00 0.00 19.45 18.15 3m49 n ALA 618 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3m49 h THR 619 N 0.47 0.00 -1.71 0.00 1.35 -1.93 -3.44 112.91 107.65 3m49 h THR 619 Ca -0.47 -0.55 -0.69 0.00 -0.55 0.00 0.00 66.41 64.15 3m49 h THR 619 Cb 1.37 1.49 0.04 0.00 -1.73 0.00 0.00 68.15 69.32 3m49 h THR 619 CO 0.50 0.00 0.67 0.33 -0.25 0.00 0.00 175.52 176.77 3m49 n PHE 620 N -2.61 1.81 0.00 4.73 -0.00 -1.26 -1.78 117.46 118.35 3m49 n PHE 620 Ca 0.03 0.53 0.00 0.00 -0.00 0.00 0.00 57.45 58.01 3m49 n PHE 620 Cb 0.38 -2.41 0.00 0.00 -0.00 0.00 0.00 39.48 37.45 3m49 n PHE 620 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3m49 n GLY 621 N 3.27 2.51 0.23 7.13 0.00 -1.26 -4.83 105.19 112.24 3m49 n GLY 621 Ca 0.21 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.36 3m49 n GLY 621 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3m49 h TRP 622 N 0.00 0.00 0.00 1.61 4.06 -1.70 -3.17 115.95 116.76 3m49 h TRP 622 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3m49 h TRP 622 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 3m49 h TRP 622 CO 0.00 0.09 0.00 0.72 -3.56 0.00 0.00 178.44 175.69 3m49 n HIS 623 N -3.16 0.03 0.08 0.49 8.25 -1.26 -1.00 115.22 118.65 3m49 n HIS 623 Ca 0.02 0.01 0.05 0.00 -0.26 0.00 0.00 57.72 57.54 3m49 n HIS 623 Cb 0.45 -0.52 0.49 0.00 1.12 0.00 0.00 29.99 31.54 3m49 n HIS 623 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 3m49 h ARG 624 N 0.00 0.37 0.00 -0.41 9.65 -1.93 -1.30 114.38 120.76 3m49 h ARG 624 Ca 0.00 -0.02 -0.32 0.00 -1.10 0.00 0.00 59.98 58.54 3m49 h ARG 624 Cb 0.29 -0.08 -0.06 0.00 -1.39 0.00 0.00 29.97 28.73 3m49 h ARG 624 CO 0.00 0.25 -2.19 0.66 2.80 0.00 0.00 179.97 181.48 3m49 n TYR 625 N -4.49 0.00 0.05 2.20 4.01 -0.17 -4.65 117.16 114.11 3m49 n TYR 625 Ca 0.01 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.81 3m49 n TYR 625 Cb 0.07 -0.83 -0.07 0.00 -0.31 0.00 0.00 39.34 38.20 3m49 n TYR 625 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 3m49 n VAL 626 N -2.90 0.77 -1.98 -0.72 0.24 -0.68 -4.98 118.33 108.08 3m49 n VAL 626 Ca -0.33 -0.61 0.03 0.00 -2.04 0.00 0.00 64.34 61.39 3m49 n VAL 626 Cb 0.97 -0.44 -0.01 0.00 -1.47 0.00 0.00 33.84 32.90 3m49 n VAL 626 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3m49 n GLY 627 N 1.30 -2.02 0.23 7.63 0.00 -0.49 -2.15 105.19 109.69 3m49 n GLY 627 Ca -0.06 -1.39 -0.01 0.00 0.00 0.00 0.00 46.02 44.57 3m49 n GLY 627 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3m49 h LEU 628 N 0.00 0.32 -0.25 0.99 3.38 -1.95 -3.09 115.31 114.71 3m49 h LEU 628 Ca 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3m49 h LEU 628 Cb 0.20 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3m49 h LEU 628 CO 0.00 0.56 -0.42 -0.62 0.09 0.00 0.00 178.44 178.06 3m49 n GLU 629 N -4.16 0.41 -0.48 1.13 1.02 -1.26 -4.92 120.64 112.38 3m49 n GLU 629 Ca -0.01 -0.25 0.00 0.00 -0.02 0.00 0.00 57.16 56.89 3m49 n GLU 629 Cb 0.37 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 3m49 n GLU 629 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3m49 n GLY 630 N 1.43 0.97 3.62 0.62 0.00 -0.91 -4.72 105.19 106.20 3m49 n GLY 630 Ca 0.08 -1.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.06 3m49 n GLY 630 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3m49 s ASP 631 N -1.00 -0.15 -0.02 1.61 2.15 -0.41 -4.89 116.67 113.96 3m49 s ASP 631 Ca 0.00 -0.79 0.00 0.00 0.43 0.00 0.00 52.55 52.19 3m49 s ASP 631 Cb 0.00 0.61 0.03 0.00 -0.30 0.00 0.00 42.92 43.26 3m49 s ASP 631 CO 0.00 -1.16 0.03 -0.69 -0.17 0.00 0.00 175.17 173.18 3m49 s VAL 632 N -3.97 -0.05 -0.52 1.11 1.01 -1.26 -1.54 120.40 115.19 3m49 s VAL 632 Ca 0.18 0.21 -0.16 0.00 0.00 0.00 0.00 61.98 62.20 3m49 s VAL 632 Cb -0.02 -0.09 0.10 0.00 0.00 0.00 0.00 36.38 36.38 3m49 s VAL 632 CO 0.06 0.09 0.48 -0.22 0.00 0.00 0.00 175.10 175.52 3m49 s LEU 633 N 1.05 5.83 0.00 3.92 2.96 0.55 -4.95 118.68 128.03 3m49 s LEU 633 Ca -0.09 -1.53 0.00 0.00 -0.22 0.00 0.00 54.13 52.30 3m49 s LEU 633 Cb -0.13 -2.22 0.00 0.00 0.50 0.00 0.00 46.19 44.34 3m49 s LEU 633 CO -0.03 -0.80 0.00 0.61 -1.32 0.00 0.00 176.35 174.81 3m49 n GLY 634 N 5.23 6.42 2.74 7.98 0.00 -1.26 -2.12 105.19 124.17 3m49 n GLY 634 Ca -0.13 -1.70 -0.25 0.00 0.00 0.00 0.00 46.02 43.94 3m49 n GLY 634 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3m49 s ILE 635 N 0.12 0.35 -0.21 -0.61 1.01 -0.26 -4.86 121.20 116.73 3m49 s ILE 635 Ca 0.00 -0.10 0.13 0.00 0.00 0.00 0.00 60.65 60.67 3m49 s ILE 635 Cb 0.00 -0.67 0.43 0.00 0.01 0.00 0.00 42.46 42.23 3m49 s ILE 635 CO 0.00 0.05 1.30 0.47 0.00 0.00 0.00 174.94 176.76 3m49 n ASP 636 N 5.14 2.26 -4.26 3.58 8.00 -1.26 -3.01 116.55 127.00 3m49 n ASP 636 Ca -0.07 -3.62 -0.20 0.00 0.71 0.00 0.00 54.79 51.60 3m49 n ASP 636 Cb 0.49 -0.54 -0.10 0.00 -0.02 0.00 0.00 41.12 40.95 3m49 n ASP 636 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3m49 s THR 637 N -3.13 0.72 0.96 -3.53 -4.23 -1.26 -5.10 115.64 100.07 3m49 s THR 637 Ca 0.39 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.76 3m49 s THR 637 Cb 0.36 -2.61 0.17 0.00 1.34 0.00 0.00 72.50 71.77 3m49 s THR 637 CO -0.02 0.00 1.19 -0.36 -0.54 0.00 0.00 174.62 174.89 3m49 s PHE 638 N -3.48 1.97 0.00 3.99 0.08 -1.26 -4.97 117.98 114.32 3m49 s PHE 638 Ca 0.34 0.64 0.00 0.00 0.12 0.00 0.00 56.93 58.03 3m49 s PHE 638 Cb 0.07 -3.61 0.00 0.00 -0.57 0.00 0.00 43.02 38.91 3m49 s PHE 638 CO 0.15 -2.64 0.00 0.41 -0.10 0.00 0.00 175.22 173.05 3m49 n GLY 639 N -2.53 1.31 3.51 4.36 0.00 -1.26 -5.06 105.19 105.52 3m49 n GLY 639 Ca 0.10 -1.62 -0.10 0.00 0.00 0.00 0.00 46.02 44.40 3m49 n GLY 639 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m49 s ALA 640 N -3.60 -0.92 -0.41 4.61 0.00 -1.26 -4.56 121.76 115.62 3m49 s ALA 640 Ca 0.00 -0.22 -0.14 0.00 0.00 0.00 0.00 51.96 51.59 3m49 s ALA 640 Cb 0.00 0.85 0.02 0.00 0.00 0.00 0.00 23.12 23.99 3m49 s ALA 640 CO 0.00 -0.80 0.29 0.45 0.00 0.00 0.00 175.76 175.70 3m49 s SER 641 N -2.87 6.06 -0.18 0.00 0.15 -1.26 -3.93 113.70 111.67 3m49 s SER 641 Ca 0.09 -0.92 -0.35 0.00 0.70 0.00 0.00 55.95 55.47 3m49 s SER 641 Cb -0.01 -2.14 0.14 0.00 -1.71 0.00 0.00 66.02 62.30 3m49 s SER 641 CO -0.03 -0.44 1.31 0.00 1.20 0.00 0.00 173.24 175.27 3m49 s ALA 642 N 1.66 -2.20 0.28 5.45 0.00 -1.12 -4.93 121.76 120.91 3m49 s ALA 642 Ca 0.05 1.47 -0.28 0.00 0.00 0.00 0.00 51.96 53.19 3m49 s ALA 642 Cb -0.19 -0.08 -0.14 0.00 0.00 0.00 0.00 23.12 22.70 3m49 s ALA 642 CO 0.10 -0.71 1.02 -2.30 0.00 0.00 0.00 175.76 173.86 3m49 n PRO 643 N -0.18 1.34 -0.37 0.00 -0.02 -1.26 -1.72 135.00 132.80 3m49 n PRO 643 Ca -0.01 0.47 -0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3m49 n PRO 643 Cb 0.59 -1.85 0.14 0.00 -0.02 0.00 0.00 33.50 32.36 3m49 n PRO 643 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3m49 h GLY 644 N 2.11 1.43 1.39 -1.23 0.00 -1.83 -1.84 103.07 103.09 3m49 h GLY 644 Ca -0.40 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.41 3m49 h GLY 644 CO 0.61 0.46 0.31 0.83 0.00 0.00 0.00 176.54 178.75 3m49 h GLU 645 N 1.29 0.80 -0.29 4.80 5.08 -1.89 -2.50 114.58 121.87 3m49 h GLU 645 Ca 0.38 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.64 3m49 h GLU 645 Cb -0.06 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 3m49 h GLU 645 CO -0.11 0.60 0.09 -0.22 -1.00 0.00 0.00 179.01 178.38 3m49 h LYS 646 N 0.81 0.46 -1.08 2.33 1.63 -1.70 -1.57 116.57 117.45 3m49 h LYS 646 Ca 0.21 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 3m49 h LYS 646 Cb 0.04 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.60 3m49 h LYS 646 CO -0.03 0.51 0.00 -0.89 -3.45 0.00 0.00 179.45 175.58 3m49 n ILE 647 N -4.71 0.07 0.00 2.00 5.41 -0.94 -0.94 119.36 120.24 3m49 n ILE 647 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.73 3m49 n ILE 647 Cb 0.16 -0.33 0.00 0.00 -0.71 0.00 0.00 39.64 38.76 3m49 n ILE 647 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 3m49 n GLU 649 N 0.71 0.00 0.10 0.38 2.13 -0.59 -0.36 120.64 123.01 3m49 n GLU 649 Ca 0.00 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.84 3m49 n GLU 649 Cb 0.05 0.00 0.37 0.00 0.27 0.00 0.00 31.44 32.13 3m49 n GLU 649 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3m49 h GLU 650 N 0.00 0.29 -0.04 5.31 4.39 -1.31 -1.89 114.58 121.34 3m49 h GLU 650 Ca 0.00 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3m49 h GLU 650 Cb 0.00 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 3m49 h GLU 650 CO 0.00 0.41 0.00 0.66 -1.16 0.00 0.00 179.01 178.92 3m49 n TYR 651 N -4.28 0.05 -0.33 4.33 4.02 0.52 -4.90 117.16 116.57 3m49 n TYR 651 Ca -0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 3m49 n TYR 651 Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.58 3m49 n TYR 651 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3m49 n GLY 652 N 0.87 0.83 2.80 2.72 0.00 -0.71 -4.99 105.19 106.70 3m49 n GLY 652 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3m49 n GLY 652 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3m49 n PHE 653 N -2.31 2.89 -4.17 1.61 3.72 -1.26 -4.44 117.46 113.50 3m49 n PHE 653 Ca 0.00 -2.80 -0.13 0.00 -0.05 0.00 0.00 57.45 54.47 3m49 n PHE 653 Cb 0.00 -1.96 -0.10 0.00 -0.94 0.00 0.00 39.48 36.47 3m49 n PHE 653 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3m49 s THR 654 N 0.31 0.82 0.17 4.37 -4.23 -1.26 -4.59 115.64 111.24 3m49 s THR 654 Ca 0.42 -1.77 -0.14 0.00 -1.18 0.00 0.00 61.69 59.02 3m49 s THR 654 Cb 0.11 -1.49 0.05 0.00 1.34 0.00 0.00 72.50 72.51 3m49 s THR 654 CO -0.01 -0.71 1.80 0.58 -0.54 0.00 0.00 174.62 175.74 3m49 h VAL 655 N 3.29 1.02 -0.45 2.29 2.07 -1.90 -1.34 116.25 121.22 3m49 h VAL 655 Ca -0.36 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.04 3m49 h VAL 655 Cb 1.18 0.44 -0.06 0.00 -1.52 0.00 0.00 31.29 31.34 3m49 h VAL 655 CO 0.58 0.10 0.14 -0.08 0.02 0.00 0.00 177.57 178.33 3m49 h GLU 656 N 0.53 0.28 -0.47 1.57 4.81 -1.97 -0.47 114.58 118.87 3m49 h GLU 656 Ca 0.20 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.28 3m49 h GLU 656 Cb 0.05 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3m49 h GLU 656 CO -0.11 0.19 -0.22 -0.97 -0.73 0.00 0.00 179.01 177.17 3m49 h ASN 657 N 0.29 1.01 -0.14 1.04 -1.24 -1.75 -1.77 115.58 113.02 3m49 h ASN 657 Ca 0.22 -0.40 0.00 0.00 0.71 0.00 0.00 56.30 56.83 3m49 h ASN 657 Cb 0.24 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.01 3m49 h ASN 657 CO -0.24 1.18 0.09 0.58 -1.29 0.00 0.00 177.43 177.75 3m49 h VAL 658 N 0.83 1.04 -0.46 2.57 2.07 -0.83 -1.47 116.25 119.99 3m49 h VAL 658 Ca 0.10 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.59 3m49 h VAL 658 Cb 0.80 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 3m49 h VAL 658 CO 0.07 0.04 0.21 0.58 0.02 0.00 0.00 177.57 178.49 3m49 h VAL 659 N 0.18 0.92 -0.36 2.57 2.07 -0.97 -0.81 116.25 119.85 3m49 h VAL 659 Ca 0.05 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 67.46 3m49 h VAL 659 Cb -0.01 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 3m49 h VAL 659 CO -0.01 0.08 0.18 -0.09 0.02 0.00 0.00 177.57 177.74 3m49 h ARG 660 N 0.41 0.36 -0.01 1.57 2.43 -1.15 -1.87 114.38 116.12 3m49 h ARG 660 Ca 0.21 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.22 3m49 h ARG 660 Cb 0.15 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 3m49 h ARG 660 CO -0.17 0.24 -0.60 0.87 -1.51 0.00 0.00 179.97 178.80 3m49 h LYS 661 N 0.37 0.05 -0.35 0.20 1.57 -0.68 -1.71 116.57 116.01 3m49 h LYS 661 Ca 0.15 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.82 3m49 h LYS 661 Cb 0.06 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3m49 h LYS 661 CO -0.11 0.64 -0.08 0.28 -0.57 0.00 0.00 179.45 179.61 3m49 h VAL 662 N 0.04 1.28 -0.56 0.50 2.07 -0.93 -3.12 116.25 115.54 3m49 h VAL 662 Ca -0.01 -1.14 -0.07 0.00 0.82 0.00 0.00 66.70 66.31 3m49 h VAL 662 Cb 1.07 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 3m49 h VAL 662 CO 0.08 0.38 0.09 0.11 0.02 0.00 0.00 177.57 178.25 3m49 h LYS 663 N 0.47 0.92 -1.53 1.57 1.57 -1.08 -2.39 116.57 116.09 3m49 h LYS 663 Ca 0.09 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3m49 h LYS 663 Cb 0.59 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3m49 h LYS 663 CO 0.03 0.89 0.00 0.39 -0.57 0.00 0.00 179.45 180.19 3m49 n GLU 664 N -4.35 0.00 0.00 3.15 1.02 -0.67 -5.12 120.64 114.68 3m49 n GLU 664 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 3m49 n GLU 664 Cb 0.27 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 3m49 n GLU 664 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59