#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m49 s SER 4 N 0.00 5.03 0.36 0.26 1.04 -1.26 -4.90 113.70 114.23 3m49 s SER 4 Ca 0.00 1.90 0.05 0.00 0.48 0.00 0.00 55.95 58.39 3m49 s SER 4 Cb 0.00 -2.54 0.67 0.00 0.10 0.00 0.00 66.02 64.26 3m49 s SER 4 CO 0.00 -1.68 1.92 -0.29 0.98 0.00 0.00 173.24 174.17 3m49 h ILE 5 N -0.30 1.17 -0.17 -1.02 6.09 -1.99 -2.11 117.51 119.18 3m49 h ILE 5 Ca -0.46 -0.65 0.03 0.00 -1.37 0.00 0.00 64.86 62.41 3m49 h ILE 5 Cb 1.24 0.86 -0.03 0.00 0.47 0.00 0.00 36.82 39.36 3m49 h ILE 5 CO 0.54 0.23 -0.01 -0.33 -3.07 0.00 0.00 178.15 175.51 3m49 h GLU 6 N 0.50 0.04 -0.48 2.19 3.07 -1.99 -0.02 114.58 117.88 3m49 h GLU 6 Ca 0.11 -0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.90 3m49 h GLU 6 Cb 0.24 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 3m49 h GLU 6 CO 0.00 0.03 0.02 0.37 -1.40 0.00 0.00 179.01 178.03 3m49 h GLN 7 N 0.04 0.79 -0.38 2.33 5.75 -1.88 -1.09 115.11 120.67 3m49 h GLN 7 Ca 0.08 -0.20 -0.04 0.00 -0.15 0.00 0.00 58.65 58.34 3m49 h GLN 7 Cb 0.11 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.54 3m49 h GLN 7 CO -0.15 0.78 0.09 1.25 -2.65 0.00 0.00 178.83 178.15 3m49 h LEU 8 N 0.74 0.59 -0.59 -2.39 5.85 -1.03 -0.24 115.31 118.23 3m49 h LEU 8 Ca 0.15 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 3m49 h LEU 8 Cb 0.42 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 3m49 h LEU 8 CO 0.02 0.67 0.33 0.28 -0.34 0.00 0.00 178.44 179.39 3m49 h SER 9 N 0.47 0.73 -0.29 1.25 0.02 -0.71 0.08 113.55 115.11 3m49 h SER 9 Ca 0.12 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3m49 h SER 9 Cb 0.32 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 3m49 h SER 9 CO 0.00 0.61 0.16 0.40 -1.14 0.00 0.00 176.83 176.86 3m49 h ILE 10 N 0.80 1.12 0.00 3.27 2.04 -1.04 -1.04 117.51 122.66 3m49 h ILE 10 Ca 0.21 -0.32 -0.06 0.00 1.00 0.00 0.00 64.86 65.68 3m49 h ILE 10 Cb 0.04 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 3m49 h ILE 10 CO -0.03 0.12 -0.30 0.78 0.00 0.00 0.00 178.15 178.72 3m49 h ASN 11 N 0.35 0.00 -0.37 1.72 2.35 -0.77 -1.65 115.58 117.22 3m49 h ASN 11 Ca 0.10 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 3m49 h ASN 11 Cb 0.06 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 3m49 h ASN 11 CO -0.02 0.30 0.11 0.74 -1.65 0.00 0.00 177.43 176.91 3m49 h THR 12 N 0.00 1.21 -0.66 2.81 2.02 -0.52 0.23 112.91 118.00 3m49 h THR 12 Ca -0.00 -0.70 0.08 0.00 0.77 0.00 0.00 66.41 66.56 3m49 h THR 12 Cb 0.66 0.98 -0.06 0.00 -1.74 0.00 0.00 68.15 67.98 3m49 h THR 12 CO 0.04 0.24 0.33 0.40 0.37 0.00 0.00 175.52 176.90 3m49 h ILE 13 N 0.44 0.88 -0.24 3.11 2.04 -0.62 -0.66 117.51 122.46 3m49 h ILE 13 Ca 0.12 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 3m49 h ILE 13 Cb 0.26 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 3m49 h ILE 13 CO -0.00 0.11 0.03 0.03 0.00 0.00 0.00 178.15 178.31 3m49 h ARG 14 N 0.58 0.41 -0.14 2.37 3.08 -0.93 -2.18 114.38 117.57 3m49 h ARG 14 Ca 0.32 -0.12 -0.17 0.00 0.07 0.00 0.00 59.98 60.08 3m49 h ARG 14 Cb 0.30 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 3m49 h ARG 14 CO -0.24 0.55 -0.64 1.79 -1.07 0.00 0.00 179.97 180.37 3m49 h THR 15 N 0.20 1.34 -0.62 2.04 1.35 -0.73 -1.64 112.91 114.85 3m49 h THR 15 Ca 0.07 -1.94 -0.01 0.00 -0.55 0.00 0.00 66.41 63.98 3m49 h THR 15 Cb 0.35 1.92 -0.03 0.00 -1.73 0.00 0.00 68.15 68.66 3m49 h THR 15 CO 0.01 0.60 0.33 -0.07 -0.25 0.00 0.00 175.52 176.13 3m49 h LEU 16 N 0.37 0.78 -0.04 3.87 3.38 -1.12 0.84 115.31 123.39 3m49 h LEU 16 Ca -0.01 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3m49 h LEU 16 Cb 1.20 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 3m49 h LEU 16 CO 0.12 0.66 0.02 0.28 0.09 0.00 0.00 178.44 179.60 3m49 h SER 17 N 0.84 0.05 -0.14 -0.43 0.02 -1.21 -0.79 113.55 111.89 3m49 h SER 17 Ca 0.22 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3m49 h SER 17 Cb 0.06 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 3m49 h SER 17 CO -0.03 0.11 0.08 0.40 -1.14 0.00 0.00 176.83 176.25 3m49 h ILE 18 N -0.02 1.02 -0.79 3.27 2.04 -1.14 -1.41 117.51 120.49 3m49 h ILE 18 Ca 0.01 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 3m49 h ILE 18 Cb 0.07 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 3m49 h ILE 18 CO -0.00 0.03 0.45 0.44 0.00 0.00 0.00 178.15 179.07 3m49 h ASP 19 N 0.17 0.97 -0.39 1.72 3.32 -0.76 0.36 116.42 121.81 3m49 h ASP 19 Ca 0.05 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 56.94 3m49 h ASP 19 Cb -0.01 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 3m49 h ASP 19 CO -0.02 0.77 -0.03 0.00 -1.72 0.00 0.00 179.24 178.24 3m49 h ALA 20 N 1.24 1.07 -0.23 3.45 0.00 -0.94 -0.64 119.26 123.21 3m49 h ALA 20 Ca 0.28 -0.28 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 3m49 h ALA 20 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3m49 h ALA 20 CO -0.05 0.58 -0.62 0.82 0.00 0.00 0.00 179.25 179.98 3m49 h ILE 21 N 0.74 1.28 -0.22 0.00 2.04 -0.94 -2.01 117.51 118.40 3m49 h ILE 21 Ca 0.14 -1.82 0.05 0.00 1.00 0.00 0.00 64.86 64.23 3m49 h ILE 21 Cb 0.49 1.80 -0.05 0.00 -0.74 0.00 0.00 36.82 38.31 3m49 h ILE 21 CO 0.02 0.58 -0.12 -0.33 0.00 0.00 0.00 178.15 178.31 3m49 h GLU 22 N 0.58 -0.10 -0.62 2.37 4.39 -0.74 0.27 114.58 120.73 3m49 h GLU 22 Ca -0.01 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 3m49 h GLU 22 Cb 1.24 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.89 3m49 h GLU 22 CO 0.13 -0.06 0.33 -0.22 -1.16 0.00 0.00 179.01 178.03 3m49 h LYS 23 N -0.10 0.86 0.00 2.33 3.64 -1.06 -1.77 116.57 120.47 3m49 h LYS 23 Ca 0.12 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3m49 h LYS 23 Cb 0.28 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3m49 h LYS 23 CO -0.28 0.66 0.00 0.00 -2.27 0.00 0.00 179.45 177.56 3m49 h ALA 24 N 1.16 1.00 -5.72 5.00 0.00 -1.19 -3.47 119.26 116.04 3m49 h ALA 24 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.71 3m49 h ALA 24 Cb 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.75 3m49 h ALA 24 CO -0.03 0.00 -0.63 -1.71 0.00 0.00 0.00 179.25 176.88 3m49 n ASN 25 N -2.80 -3.92 -3.56 0.00 5.15 0.07 -4.94 115.26 105.25 3m49 n ASN 25 Ca 0.02 -0.53 -0.16 0.00 -0.60 0.00 0.00 54.58 53.31 3m49 n ASN 25 Cb 0.32 -3.21 -0.06 0.00 -0.53 0.00 0.00 39.78 36.29 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 -2.88 -0.65 0.00 1.20 0.15 -1.11 -4.86 113.70 105.55 3m49 s SER 26 Ca 0.49 0.91 0.00 0.00 0.70 0.00 0.00 55.95 58.04 3m49 s SER 26 Cb -0.25 0.80 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 3m49 s SER 26 CO 0.60 -0.46 0.00 0.61 1.20 0.00 0.00 173.24 175.18 3m49 n GLY 27 N 1.46 0.99 3.04 9.45 0.00 -1.26 -4.63 105.19 114.24 3m49 n GLY 27 Ca -0.17 -2.32 -0.31 0.00 0.00 0.00 0.00 46.02 43.22 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 -1.06 3.47 -0.20 1.61 3.76 -1.26 -2.70 115.29 118.90 3m49 s HIS 28 Ca 0.00 -2.63 0.22 0.00 -0.15 0.00 0.00 55.06 52.51 3m49 s HIS 28 Cb 0.00 -2.38 -0.07 0.00 1.11 0.00 0.00 32.58 31.24 3m49 s HIS 28 CO 0.00 -0.91 0.92 -0.35 -0.85 0.00 0.00 174.74 173.55 3m49 n PRO 29 N 4.36 0.61 0.00 8.40 -0.04 -1.24 -4.51 135.00 142.57 3m49 n PRO 29 Ca -0.06 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 3m49 n PRO 29 Cb 0.42 -1.76 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 3m49 n PRO 29 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3m49 n GLY 30 N 1.20 0.16 0.59 0.55 0.00 0.28 -4.70 105.19 103.27 3m49 n GLY 30 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.26 -0.81 0.00 1.61 -0.02 -1.26 -1.25 135.00 133.53 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 0.03 -1.11 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 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 -0.06 0.00 0.13 -1.23 0.00 -1.26 -1.16 105.19 101.62 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 3.77 -0.22 4.61 0.00 -1.26 -4.45 120.51 122.96 3m49 n ALA 35 Ca 0.00 -0.47 0.02 0.00 0.00 0.00 0.00 53.44 52.99 3m49 n ALA 35 Cb 0.00 -0.98 0.12 0.00 0.00 0.00 0.00 19.45 18.59 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 3.29 0.67 0.00 0.00 0.00 -1.52 -1.08 119.26 120.62 3m49 h ALA 36 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3m49 h ALA 36 Cb 0.54 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3m49 h ALA 36 CO 0.00 -0.39 0.00 -2.30 0.00 0.00 0.00 179.25 176.56 3m49 n PRO 37 N -5.27 0.20 0.00 0.00 -0.02 -1.26 -0.57 135.00 128.07 3m49 n PRO 37 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3m49 n PRO 37 Cb 0.38 -1.24 0.00 0.00 -0.02 0.00 0.00 33.50 32.63 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 0.63 0.00 -0.18 3.55 0.00 -0.41 -1.71 120.51 122.39 3m49 n ALA 39 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 3m49 n ALA 39 Cb 0.07 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.59 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 0.42 0.22 0.00 3.20 -1.07 0.56 116.97 120.31 3m49 h TYR 40 Ca 0.00 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 3m49 h TYR 40 Cb 0.00 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.16 3m49 h TYR 40 CO 0.00 0.17 -0.11 1.15 -1.64 0.00 0.00 178.16 177.73 3m49 h THR 41 N 0.45 0.81 -0.13 1.81 2.02 -1.57 -1.03 112.91 115.27 3m49 h THR 41 Ca 0.25 -0.16 0.05 0.00 0.77 0.00 0.00 66.41 67.32 3m49 h THR 41 Cb 0.22 0.91 -0.05 0.00 -1.74 0.00 0.00 68.15 67.49 3m49 h THR 41 CO -0.21 0.04 -0.21 0.25 0.37 0.00 0.00 175.52 175.75 3m49 h LEU 42 N -0.38 -0.65 -0.81 2.58 5.85 -1.80 -0.04 115.31 120.06 3m49 h LEU 42 Ca -0.03 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 3m49 h LEU 42 Cb 0.29 0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 3m49 h LEU 42 CO 0.05 -0.26 0.39 -0.25 -0.34 0.00 0.00 178.44 178.03 3m49 h TRP 43 N -0.27 1.18 0.00 1.25 2.91 -0.65 -2.53 115.95 117.84 3m49 h TRP 43 Ca 0.10 -0.06 0.00 0.00 1.13 0.00 0.00 58.89 60.06 3m49 h TRP 43 Cb 0.41 -0.36 0.00 0.00 -0.51 0.00 0.00 29.16 28.70 3m49 h TRP 43 CO -0.31 0.86 -1.84 0.25 -1.03 0.00 0.00 178.44 176.36 3m49 n THR 44 N -4.34 0.00 0.09 2.65 -2.24 -0.41 -4.60 114.28 105.43 3m49 n THR 44 Ca 0.08 -0.42 0.05 0.00 -2.27 0.00 0.00 64.05 61.49 3m49 n THR 44 Cb 0.14 0.09 -0.08 0.00 -2.10 0.00 0.00 70.33 68.38 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 -2.14 0.94 -2.54 -0.78 6.02 -0.03 -4.69 117.38 114.15 3m49 n GLN 45 Ca -0.03 -0.08 -0.17 0.00 -0.01 0.00 0.00 57.00 56.71 3m49 n GLN 45 Cb 0.49 -1.20 0.02 0.00 1.02 0.00 0.00 30.24 30.56 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 -1.75 2.22 -3.49 1.08 3.72 -0.95 -5.03 117.46 113.25 3m49 n PHE 46 Ca -0.01 -2.80 -0.05 0.00 -0.05 0.00 0.00 57.45 54.54 3m49 n PHE 46 Cb 0.25 -0.24 -0.07 0.00 -0.94 0.00 0.00 39.48 38.48 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 -3.40 0.42 -0.06 -1.08 2.36 -1.26 -5.06 119.74 111.65 3m49 s LYS 48 Ca 0.38 0.98 -0.30 0.00 -2.55 0.00 0.00 55.97 54.47 3m49 s LYS 48 Cb 0.42 0.26 0.07 0.00 -1.05 0.00 0.00 37.83 37.52 3m49 s LYS 48 CO -0.06 -0.41 0.68 -3.38 1.55 0.00 0.00 175.35 173.73 3m49 s HIS 49 N 2.69 -0.66 -0.34 4.03 -3.43 -1.26 -1.08 115.29 115.24 3m49 s HIS 49 Ca 0.05 1.17 0.01 0.00 -0.80 0.00 0.00 55.06 55.49 3m49 s HIS 49 Cb -0.13 0.40 0.09 0.00 -1.43 0.00 0.00 32.58 31.50 3m49 s HIS 49 CO -0.16 -0.59 0.06 1.21 -2.00 0.00 0.00 174.74 173.26 3m49 s ASN 50 N -1.09 4.88 0.47 7.38 3.84 -1.26 -3.91 114.94 125.24 3m49 s ASN 50 Ca -0.10 -1.88 0.22 0.00 0.21 0.00 0.00 52.86 51.31 3m49 s ASN 50 Cb -0.00 -1.69 1.23 0.00 -0.55 0.00 0.00 41.25 40.24 3m49 s ASN 50 CO 0.09 -0.38 1.90 -0.65 -2.79 0.00 0.00 177.10 175.28 3m49 h PRO 51 N 7.81 0.23 0.00 0.43 0.11 -1.87 0.63 132.00 139.35 3m49 h PRO 51 Ca -0.11 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.98 3m49 h PRO 51 Cb 1.04 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3m49 h PRO 51 CO 0.56 0.15 0.00 -0.91 -0.21 0.00 0.00 178.00 177.59 3m49 h ASN 52 N 0.23 0.00 -2.25 -2.05 4.21 -1.93 -3.36 115.58 110.44 3m49 h ASN 52 Ca 0.40 0.00 -0.58 0.00 1.21 0.00 0.00 56.30 57.33 3m49 h ASN 52 Cb 1.22 0.00 -0.39 0.00 -1.12 0.00 0.00 38.32 38.03 3m49 h ASN 52 CO -0.09 0.00 -0.99 -3.20 -1.29 0.00 0.00 177.43 171.86 3m49 n ASN 53 N -2.83 0.26 0.00 5.81 5.15 0.19 -4.99 115.26 118.85 3m49 n ASN 53 Ca 0.03 -2.62 0.05 0.00 -0.60 0.00 0.00 54.58 51.44 3m49 n ASN 53 Cb 0.41 -0.61 0.21 0.00 -0.53 0.00 0.00 39.78 39.27 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 0.00 -0.38 1.20 -0.04 -1.06 -1.67 135.00 135.12 3m49 n PRO 54 Ca 0.26 0.33 0.11 0.00 -0.04 0.00 0.00 63.50 64.15 3m49 n PRO 54 Cb 0.49 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.75 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 -1.50 1.12 -1.70 0.52 -2.24 -1.26 -4.76 114.28 104.46 3m49 n THR 55 Ca 0.02 -1.04 -0.61 0.00 -2.27 0.00 0.00 64.05 60.15 3m49 n THR 55 Cb 0.12 0.44 -0.08 0.00 -2.10 0.00 0.00 70.33 68.71 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 1.40 1.79 0.08 4.78 -0.00 -0.67 -4.81 117.44 120.01 3m49 n TRP 56 Ca 0.23 0.83 0.05 0.00 -0.00 0.00 0.00 57.50 58.60 3m49 n TRP 56 Cb 0.63 -2.33 0.47 0.00 -0.00 0.00 0.00 31.31 30.08 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 5.81 0.36 -0.54 5.87 3.57 -1.94 -2.53 116.94 127.54 3m49 h PHE 57 Ca -0.46 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.04 3m49 h PHE 57 Cb 1.35 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.97 3m49 h PHE 57 CO 0.69 0.26 0.00 -1.71 -2.23 0.00 0.00 178.31 175.32 3m49 n ASN 58 N -4.46 4.93 -4.75 0.41 5.15 -1.26 -4.98 115.26 110.30 3m49 n ASN 58 Ca 0.01 -2.72 -0.35 0.00 -0.60 0.00 0.00 54.58 50.92 3m49 n ASN 58 Cb 0.10 -0.60 0.06 0.00 -0.53 0.00 0.00 39.78 38.81 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 -2.34 2.65 0.30 1.20 1.70 -0.96 -4.68 118.95 116.82 3m49 s ARG 59 Ca 0.50 1.69 -0.29 0.00 -0.47 0.00 0.00 55.73 57.15 3m49 s ARG 59 Cb 0.36 -1.90 -0.10 0.00 -0.57 0.00 0.00 34.95 32.73 3m49 s ARG 59 CO 0.18 -1.43 1.41 -0.51 -1.08 0.00 0.00 175.30 173.87 3m49 s ASP 60 N -2.00 6.63 0.23 -2.89 1.01 -0.24 -4.71 116.67 114.70 3m49 s ASP 60 Ca 0.74 2.75 -0.04 0.00 0.71 0.00 0.00 52.55 56.71 3m49 s ASP 60 Cb -0.27 -2.64 -0.05 0.00 1.01 0.00 0.00 42.92 40.97 3m49 s ASP 60 CO 0.39 -0.68 0.47 -0.13 0.21 0.00 0.00 175.17 175.43 3m49 s ARG 61 N -1.15 3.61 -0.02 8.23 1.81 -0.56 -4.86 118.95 126.02 3m49 s ARG 61 Ca 0.55 -0.08 0.00 0.00 -1.72 0.00 0.00 55.73 54.48 3m49 s ARG 61 Cb -0.42 -2.74 0.03 0.00 -0.45 0.00 0.00 34.95 31.37 3m49 s ARG 61 CO 0.50 0.33 0.02 0.12 -0.68 0.00 0.00 175.30 175.59 3m49 s PHE 62 N -1.91 0.15 -0.16 -0.53 5.36 -1.26 -0.71 117.98 118.92 3m49 s PHE 62 Ca 0.42 0.08 0.01 0.00 -0.96 0.00 0.00 56.93 56.48 3m49 s PHE 62 Cb -0.11 -0.32 0.02 0.00 -0.34 0.00 0.00 43.02 42.27 3m49 s PHE 62 CO 0.28 -0.11 -0.17 0.08 -1.46 0.00 0.00 175.22 173.84 3m49 s VAL 63 N 1.10 1.79 -0.98 3.12 1.01 -0.16 -4.20 120.40 122.08 3m49 s VAL 63 Ca -0.09 -0.77 -0.19 0.00 0.00 0.00 0.00 61.98 60.93 3m49 s VAL 63 Cb -0.13 -1.65 0.12 0.00 0.00 0.00 0.00 36.38 34.72 3m49 s VAL 63 CO -0.02 0.50 1.22 -0.22 0.00 0.00 0.00 175.10 176.58 3m49 s LEU 64 N 1.38 4.76 0.23 3.92 0.20 -1.26 -1.77 118.68 126.14 3m49 s LEU 64 Ca 0.04 -2.04 -0.02 0.00 0.69 0.00 0.00 54.13 52.80 3m49 s LEU 64 Cb -0.13 -2.43 0.25 0.00 -0.43 0.00 0.00 46.19 43.45 3m49 s LEU 64 CO -0.11 -1.11 1.66 -1.28 -0.29 0.00 0.00 176.35 175.21 3m49 h SER 65 N 8.81 0.70 -0.24 3.68 0.87 -1.20 -3.06 113.55 123.11 3m49 h SER 65 Ca 0.19 -0.25 -0.69 0.00 -1.23 0.00 0.00 61.79 59.81 3m49 h SER 65 Cb 1.00 -0.19 -0.05 0.00 -0.44 0.00 0.00 62.40 62.73 3m49 h SER 65 CO 1.18 0.91 2.82 0.00 -0.53 0.00 0.00 176.83 181.22 3m49 n ALA 66 N -2.50 4.86 0.29 6.23 0.00 -0.99 -4.43 120.51 123.97 3m49 n ALA 66 Ca 0.00 -3.84 0.14 0.00 0.00 0.00 0.00 53.44 49.74 3m49 n ALA 66 Cb 0.42 -3.56 0.85 0.00 0.00 0.00 0.00 19.45 17.16 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 10.95 0.00 2.00 0.00 0.00 -1.85 -1.87 103.07 112.30 3m49 h GLY 67 Ca 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.85 3m49 h GLY 67 CO 1.76 0.00 -0.03 1.12 0.00 0.00 0.00 176.54 179.40 3m49 h HIS 68 N 0.00 0.00 0.00 5.60 2.07 -1.86 -2.57 115.15 118.39 3m49 h HIS 68 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3m49 h HIS 68 Cb 0.05 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.03 3m49 h HIS 68 CO 0.00 0.03 0.00 0.41 -3.07 0.00 0.00 177.93 175.30 3m49 n GLY 69 N -1.29 1.60 2.11 6.13 0.00 -0.70 -4.39 105.19 108.65 3m49 n GLY 69 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 0.65 0.00 0.00 1.61 3.41 -0.97 -3.56 113.62 114.76 3m49 n SER 70 Ca 0.00 -0.96 0.00 0.00 -0.26 0.00 0.00 58.87 57.65 3m49 n SER 70 Cb 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 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 2.06 0.00 -0.08 1.04 7.94 -1.26 -1.24 117.00 125.46 3m49 n LEU 72 Ca 0.00 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.79 3m49 n LEU 72 Cb 0.00 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.91 3m49 n LEU 72 CO 0.05 0.00 0.79 0.25 -1.11 0.00 0.00 177.39 177.37 3m49 h LEU 73 N 0.00 0.39 -1.06 -1.96 5.85 -1.99 -2.42 115.31 114.12 3m49 h LEU 73 Ca 0.00 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 3m49 h LEU 73 Cb 0.00 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 3m49 h LEU 73 CO 0.00 0.56 0.21 1.88 -0.34 0.00 0.00 178.44 180.76 3m49 h TYR 74 N 0.21 0.90 0.16 1.25 0.05 -1.50 0.02 116.97 118.05 3m49 h TYR 74 Ca 0.07 -0.06 -0.00 0.00 0.05 0.00 0.00 58.73 58.79 3m49 h TYR 74 Cb 0.34 -0.27 -0.00 0.00 1.01 0.00 0.00 36.73 37.81 3m49 h TYR 74 CO 0.02 0.71 -0.10 0.77 -1.05 0.00 0.00 178.16 178.51 3m49 h SER 75 N 0.87 -0.25 -0.57 3.88 0.02 -1.80 -0.21 113.55 115.48 3m49 h SER 75 Ca 0.20 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.19 3m49 h SER 75 Cb 0.21 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 3m49 h SER 75 CO -0.01 -0.16 0.36 -0.07 -1.14 0.00 0.00 176.83 175.80 3m49 h LEU 76 N -0.25 0.61 -0.07 5.07 3.38 -1.01 -0.08 115.31 122.95 3m49 h LEU 76 Ca -0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3m49 h LEU 76 Cb 0.21 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3m49 h LEU 76 CO 0.01 0.43 0.05 -0.07 0.09 0.00 0.00 178.44 178.95 3m49 h LEU 77 N 0.73 0.09 -0.02 1.67 3.38 -0.86 -1.47 115.31 118.82 3m49 h LEU 77 Ca 0.22 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3m49 h LEU 77 Cb -0.03 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3m49 h LEU 77 CO -0.07 0.09 0.01 -0.74 0.09 0.00 0.00 178.44 177.82 3m49 h HIS 78 N 0.08 0.02 0.00 1.13 2.76 -0.84 -1.34 115.15 116.97 3m49 h HIS 78 Ca 0.03 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.16 3m49 h HIS 78 Cb 0.01 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 3m49 h HIS 78 CO -0.07 0.02 -0.20 -0.07 -1.30 0.00 0.00 177.93 176.31 3m49 h LEU 79 N 0.03 0.00 0.00 0.26 3.38 -0.89 -2.54 115.31 115.55 3m49 h LEU 79 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3m49 h LEU 79 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3m49 h LEU 79 CO -0.00 0.20 -0.25 -1.20 0.09 0.00 0.00 178.44 177.27 3m49 n SER 80 N -4.01 0.34 0.00 -0.43 7.64 -0.56 -4.70 113.62 111.90 3m49 n SER 80 Ca -0.02 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.05 3m49 n SER 80 Cb 0.28 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 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 1.46 0.93 3.73 0.23 0.00 -0.96 -4.56 105.19 106.02 3m49 n GLY 81 Ca 0.06 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 2.36 -0.71 1.61 2.02 -0.53 -4.63 117.35 115.47 3m49 s TYR 82 Ca 0.00 1.36 -0.06 0.00 -0.37 0.00 0.00 57.07 58.00 3m49 s TYR 82 Cb 0.00 -3.13 -0.09 0.00 -0.40 0.00 0.00 41.96 38.33 3m49 s TYR 82 CO 0.00 -2.26 2.32 -3.47 -1.57 0.00 0.00 175.55 170.57 3m49 n ASP 83 N -3.81 4.86 -3.90 2.29 2.03 -1.26 -4.63 116.55 112.12 3m49 n ASP 83 Ca 0.08 -2.29 -0.30 0.00 0.52 0.00 0.00 54.79 52.81 3m49 n ASP 83 Cb 0.54 -1.09 -0.16 0.00 -0.72 0.00 0.00 41.12 39.70 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 2.75 1.31 0.00 5.18 1.01 -1.26 -4.53 120.40 124.86 3m49 s VAL 84 Ca 0.44 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.40 3m49 s VAL 84 Cb 0.14 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.93 3m49 s VAL 84 CO -0.03 -0.07 0.00 0.35 0.00 0.00 0.00 175.10 175.35 3m49 n THR 85 N 4.76 0.00 0.00 3.92 -2.24 -1.26 -4.28 114.28 115.18 3m49 n THR 85 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 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 -0.06 3.42 2.03 -1.26 -1.60 116.55 119.09 3m49 n ASP 87 Ca 0.00 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.23 3m49 n ASP 87 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 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 0.05 -0.93 1.67 3.32 -1.96 -1.88 116.42 116.70 3m49 h ASP 88 Ca 0.00 0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.14 3m49 h ASP 88 Cb 0.00 0.03 -0.06 0.00 0.22 0.00 0.00 39.33 39.52 3m49 h ASP 88 CO 0.00 0.06 0.60 -0.07 -1.72 0.00 0.00 179.24 178.11 3m49 h LEU 89 N 0.17 0.94 0.00 1.55 4.07 -1.66 0.39 115.31 120.76 3m49 h LEU 89 Ca 0.11 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.07 3m49 h LEU 89 Cb 0.09 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.63 3m49 h LEU 89 CO -0.12 0.60 0.00 0.29 -1.08 0.00 0.00 178.44 178.13 3m49 n LYS 90 N -4.49 0.17 -0.52 1.13 5.02 -0.86 -2.45 118.16 116.16 3m49 n LYS 90 Ca 0.14 0.14 0.04 0.00 -2.02 0.00 0.00 58.31 56.61 3m49 n LYS 90 Cb 0.19 -1.50 0.20 0.00 -0.02 0.00 0.00 35.03 33.91 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 -1.36 2.68 -4.64 4.39 3.02 0.11 -4.89 115.26 114.58 3m49 n ASN 91 Ca 0.07 -3.46 -0.50 0.00 -0.03 0.00 0.00 54.58 50.66 3m49 n ASN 91 Cb 0.17 -0.55 -0.05 0.00 -0.61 0.00 0.00 39.78 38.73 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 -1.03 1.90 -1.23 3.10 7.35 -1.03 -1.76 117.46 124.77 3m49 n PHE 92 Ca 0.24 0.44 -0.08 0.00 -0.76 0.00 0.00 57.45 57.30 3m49 n PHE 92 Cb 0.86 -2.45 -0.03 0.00 0.35 0.00 0.00 39.48 38.21 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 3.51 -1.04 -3.99 -4.13 1.74 0.09 -4.68 116.66 108.15 3m49 n ARG 93 Ca 0.19 0.70 -0.26 0.00 -0.77 0.00 0.00 57.85 57.71 3m49 n ARG 93 Cb 0.23 -4.70 -0.04 0.00 -1.02 0.00 0.00 32.46 26.93 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 -2.35 3.26 -0.03 5.56 -1.52 -0.72 -4.88 119.66 118.97 3m49 s GLN 94 Ca 0.00 -0.70 -0.37 0.00 -1.95 0.00 0.00 55.36 52.34 3m49 s GLN 94 Cb 0.00 -2.85 -0.15 0.00 -0.22 0.00 0.00 33.01 29.79 3m49 s GLN 94 CO 0.00 0.50 1.57 1.87 -0.25 0.00 0.00 175.29 178.99 3m49 n TRP 95 N -0.54 1.92 -0.90 0.91 -0.00 -1.26 -1.35 117.44 116.21 3m49 n TRP 95 Ca -0.08 0.45 0.00 0.00 -0.00 0.00 0.00 57.50 57.88 3m49 n TRP 95 Cb 0.54 -2.45 0.00 0.00 -0.00 0.00 0.00 31.31 29.40 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 3.42 0.45 3.83 5.87 0.00 -1.26 -5.01 105.19 112.49 3m49 n GLY 96 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.30 5.09 0.00 1.61 1.04 -0.46 -4.93 113.70 113.75 3m49 s SER 97 Ca 0.00 1.39 0.11 0.00 0.48 0.00 0.00 55.95 57.94 3m49 s SER 97 Cb 0.00 -2.21 0.46 0.00 0.10 0.00 0.00 66.02 64.37 3m49 s SER 97 CO 0.00 -1.60 1.33 0.29 0.98 0.00 0.00 173.24 174.24 3m49 n LYS 98 N -3.20 1.41 -3.22 4.02 5.02 -1.26 -4.31 118.16 116.62 3m49 n LYS 98 Ca 0.07 -0.64 -0.25 0.00 -2.02 0.00 0.00 58.31 55.47 3m49 n LYS 98 Cb 0.55 -1.22 -0.06 0.00 -0.02 0.00 0.00 35.03 34.28 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 -0.05 1.42 -1.17 -0.18 -2.24 -1.26 -4.65 114.28 106.16 3m49 n THR 99 Ca 0.10 -4.93 -0.31 0.00 -2.27 0.00 0.00 64.05 56.64 3m49 n THR 99 Cb 0.18 -1.62 0.11 0.00 -2.10 0.00 0.00 70.33 66.89 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 -2.40 2.01 0.37 -0.78 0.04 -1.26 -0.73 135.00 132.24 3m49 s PRO 100 Ca 0.41 1.29 0.14 0.00 0.04 0.00 0.00 61.00 62.88 3m49 s PRO 100 Cb 0.22 -1.86 0.98 0.00 0.04 0.00 0.00 34.50 33.87 3m49 s PRO 100 CO -0.08 -1.85 1.79 0.78 0.04 0.00 0.00 177.00 177.69 3m49 h GLY 101 N -1.20 1.32 -3.89 0.56 0.00 -1.94 -3.40 103.07 94.52 3m49 h GLY 101 Ca -0.44 -0.25 -0.65 0.00 0.00 0.00 0.00 47.33 45.99 3m49 h GLY 101 CO 0.49 -0.08 -0.85 0.30 0.00 0.00 0.00 176.54 176.40 3m49 s HIS 102 N -5.60 2.18 0.25 5.60 3.76 -1.26 -4.59 115.29 115.63 3m49 s HIS 102 Ca -0.09 -0.39 -0.31 0.00 -0.15 0.00 0.00 55.06 54.12 3m49 s HIS 102 Cb 0.25 -1.17 -0.12 0.00 1.11 0.00 0.00 32.58 32.64 3m49 s HIS 102 CO 0.79 0.32 1.58 -2.30 -0.85 0.00 0.00 174.74 174.28 3m49 n PRO 103 N 0.88 2.51 -3.93 8.40 -0.02 -1.26 -4.91 135.00 136.66 3m49 n PRO 103 Ca -0.18 0.90 -0.30 0.00 -2.02 0.00 0.00 63.50 61.90 3m49 n PRO 103 Cb 0.53 -2.66 -0.16 0.00 -0.02 0.00 0.00 33.50 31.20 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 -0.03 1.58 0.35 -0.52 2.02 -1.26 -2.60 118.70 118.24 3m49 s GLU 104 Ca 0.68 -1.03 -0.29 0.00 0.02 0.00 0.00 54.97 54.36 3m49 s GLU 104 Cb -0.55 -2.59 -0.12 0.00 0.10 0.00 0.00 34.13 30.97 3m49 s GLU 104 CO 0.45 -0.63 1.46 0.98 0.02 0.00 0.00 175.26 177.54 3m49 n TYR 105 N 4.66 2.77 0.00 1.61 9.36 -1.26 -1.97 117.16 132.33 3m49 n TYR 105 Ca -0.11 0.43 0.00 0.00 3.32 0.00 0.00 57.90 61.54 3m49 n TYR 105 Cb 0.44 -2.52 0.00 0.00 -0.63 0.00 0.00 39.34 36.63 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 0.94 2.69 0.00 2.98 0.00 -1.26 -4.81 105.19 105.73 3m49 n GLY 106 Ca 0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.83 -4.97 115.22 113.54 3m49 n HIS 107 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.32 3m49 n HIS 107 Cb 0.00 -0.10 -0.15 0.00 1.12 0.00 0.00 29.99 30.86 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 -2.40 -0.08 0.23 1.59 2.01 -1.20 -4.77 115.64 111.02 3m49 s THR 108 Ca 0.02 0.22 -0.32 0.00 0.31 0.00 0.00 61.69 61.92 3m49 s THR 108 Cb 0.09 -0.21 -0.13 0.00 0.01 0.00 0.00 72.50 72.26 3m49 s THR 108 CO 0.52 0.09 1.50 0.00 -0.69 0.00 0.00 174.62 176.04 3m49 n ALA 109 N 4.37 1.56 -0.22 7.40 0.00 -1.26 -2.21 120.51 130.14 3m49 n ALA 109 Ca -0.24 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3m49 n ALA 109 Cb 0.51 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.62 3m49 n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m49 n GLY 110 N 2.56 1.59 3.65 0.00 0.00 -1.26 -4.78 105.19 106.94 3m49 n GLY 110 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.88 4.79 -0.25 1.61 1.01 -0.94 -4.94 120.40 118.81 3m49 s VAL 111 Ca 0.00 1.67 0.21 0.00 0.00 0.00 0.00 61.98 63.86 3m49 s VAL 111 Cb 0.00 -4.17 0.04 0.00 0.00 0.00 0.00 36.38 32.25 3m49 s VAL 111 CO 0.00 -0.12 1.13 0.44 0.00 0.00 0.00 175.10 176.55 3m49 h ASP 112 N 7.66 0.00 -4.66 3.32 3.32 -1.91 -3.40 116.42 120.75 3m49 h ASP 112 Ca -0.22 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.75 3m49 h ASP 112 Cb 1.08 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.43 3m49 h ASP 112 CO 0.90 0.12 0.02 0.00 -1.72 0.00 0.00 179.24 178.57 3m49 s ALA 113 N -3.24 -1.45 0.02 3.45 0.00 -1.26 -4.92 121.76 114.35 3m49 s ALA 113 Ca 0.01 1.20 -0.29 0.00 0.00 0.00 0.00 51.96 52.88 3m49 s ALA 113 Cb 0.08 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 3m49 s ALA 113 CO 0.77 -0.32 0.94 0.99 0.00 0.00 0.00 175.76 178.14 3m49 s THR 114 N -0.74 4.82 0.23 0.00 2.01 -1.26 -4.23 115.64 116.47 3m49 s THR 114 Ca -0.08 1.97 0.03 0.00 0.31 0.00 0.00 61.69 63.92 3m49 s THR 114 Cb -0.03 -4.28 -0.01 0.00 0.01 0.00 0.00 72.50 68.19 3m49 s THR 114 CO 0.06 0.21 0.11 0.35 -0.69 0.00 0.00 174.62 174.66 3m49 n THR 115 N 3.63 0.00 0.00 -0.82 -2.24 -1.07 -4.90 114.28 108.88 3m49 n THR 115 Ca 0.04 -1.43 0.00 0.00 -2.27 0.00 0.00 64.05 60.39 3m49 n THR 115 Cb 0.51 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 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 0.19 3.69 3.62 3.38 0.00 -1.26 -4.36 105.19 110.45 3m49 n GLY 116 Ca -0.01 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 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 3.78 0.70 1.61 0.02 -1.26 -4.81 135.00 135.03 3m49 s PRO 117 Ca 0.00 1.31 -0.16 0.00 0.02 0.00 0.00 61.00 62.17 3m49 s PRO 117 Cb 0.00 -3.97 0.02 0.00 0.02 0.00 0.00 34.50 30.57 3m49 s PRO 117 CO 0.00 -1.31 1.21 -0.51 -0.33 0.00 0.00 177.00 176.07 3m49 s LEU 118 N 4.98 3.40 0.00 -5.54 1.43 -1.26 -2.91 118.68 118.77 3m49 s LEU 118 Ca 0.63 2.37 0.00 0.00 -1.03 0.00 0.00 54.13 56.10 3m49 s LEU 118 Cb -0.19 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.44 3m49 s LEU 118 CO 0.27 -2.10 0.00 0.61 0.23 0.00 0.00 176.35 175.37 3m49 n GLY 119 N 0.42 2.07 0.15 -3.19 0.00 -1.26 -4.84 105.19 98.55 3m49 n GLY 119 Ca 0.14 -0.39 0.01 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 -0.07 1.61 4.20 -1.88 -3.03 115.11 115.94 3m49 h GLN 120 Ca 0.00 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.74 3m49 h GLN 120 Cb 0.00 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 3m49 h GLN 120 CO 0.00 0.53 -0.09 0.78 -0.67 0.00 0.00 178.83 179.38 3m49 h GLY 121 N 2.03 -0.04 0.72 3.46 0.00 -1.82 0.30 103.07 107.72 3m49 h GLY 121 Ca -0.01 0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.47 3m49 h GLY 121 CO 0.07 -0.10 0.13 -2.22 0.00 0.00 0.00 176.54 174.42 3m49 h ILE 122 N -0.13 0.91 -0.29 2.60 2.04 -1.89 -1.01 117.51 119.75 3m49 h ILE 122 Ca 0.06 -0.10 -0.08 0.00 1.00 0.00 0.00 64.86 65.74 3m49 h ILE 122 Cb 0.21 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 3m49 h ILE 122 CO -0.15 0.05 -0.18 0.00 0.00 0.00 0.00 178.15 177.88 3m49 h ALA 123 N 1.22 1.15 -0.51 1.87 0.00 -1.33 -1.29 119.26 120.37 3m49 h ALA 123 Ca 0.16 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3m49 h ALA 123 Cb 0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3m49 h ALA 123 CO -0.15 0.53 0.24 1.15 0.00 0.00 0.00 179.25 181.02 3m49 h THR 124 N 0.47 1.20 -0.87 0.00 2.02 -0.15 -2.83 112.91 112.75 3m49 h THR 124 Ca 0.08 -0.57 0.01 0.00 0.77 0.00 0.00 66.41 66.69 3m49 h THR 124 Cb 0.58 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 3m49 h THR 124 CO 0.04 0.22 0.58 0.00 0.37 0.00 0.00 175.52 176.73 3m49 h ALA 125 N 1.08 1.38 -0.65 6.16 0.00 -0.74 -1.60 119.26 124.89 3m49 h ALA 125 Ca 0.18 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3m49 h ALA 125 Cb 0.13 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 3m49 h ALA 125 CO -0.02 0.58 0.39 0.28 0.00 0.00 0.00 179.25 180.47 3m49 h VAL 126 N 1.18 1.04 0.00 0.00 2.07 -1.05 -0.63 116.25 118.86 3m49 h VAL 126 Ca 0.32 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.58 3m49 h VAL 126 Cb -0.13 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 29.87 3m49 h VAL 126 CO -0.07 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.27 3m49 n GLY 127 N -1.28 0.18 0.83 2.17 0.00 -0.60 -4.68 105.19 101.81 3m49 n GLY 127 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 0.86 -0.17 0.00 4.61 0.00 -0.25 -3.52 120.51 122.04 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 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.44 0.00 -0.19 0.00 0.00 -1.26 -2.07 120.51 116.55 3m49 n ALA 131 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 3m49 n ALA 131 Cb 0.09 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.63 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 0.37 -0.18 0.00 4.22 -1.95 0.12 114.58 117.16 3m49 h GLU 132 Ca 0.00 -0.02 -0.18 0.00 0.08 0.00 0.00 59.36 59.24 3m49 h GLU 132 Cb 0.00 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 3m49 h GLU 132 CO 0.00 0.25 -0.62 0.00 -2.18 0.00 0.00 179.01 176.46 3m49 h ARG 133 N 0.38 0.63 -0.27 1.92 2.47 -1.81 -0.74 114.38 116.96 3m49 h ARG 133 Ca 0.29 -0.43 -0.01 0.00 -1.26 0.00 0.00 59.98 58.57 3m49 h ARG 133 Cb 0.35 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.72 3m49 h ARG 133 CO -0.29 1.05 0.15 1.25 0.56 0.00 0.00 179.97 182.68 3m49 h HIS 134 N 0.46 0.37 -0.47 3.04 2.76 -1.64 -0.98 115.15 118.69 3m49 h HIS 134 Ca -0.01 -0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.06 3m49 h HIS 134 Cb 1.19 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 30.02 3m49 h HIS 134 CO 0.06 0.32 -0.05 -0.07 -1.30 0.00 0.00 177.93 176.88 3m49 h LEU 135 N 0.32 0.87 -0.49 0.26 3.38 -0.73 -1.09 115.31 117.81 3m49 h LEU 135 Ca 0.09 -0.33 0.06 0.00 0.09 0.00 0.00 57.88 57.79 3m49 h LEU 135 Cb 0.07 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 3m49 h LEU 135 CO -0.01 0.99 0.21 0.00 0.09 0.00 0.00 178.44 179.72 3m49 h ALA 136 N 0.90 0.62 -0.74 1.53 0.00 -1.01 -0.31 119.26 120.25 3m49 h ALA 136 Ca 0.13 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 3m49 h ALA 136 Cb 0.58 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3m49 h ALA 136 CO 0.03 -0.16 0.22 0.00 0.00 0.00 0.00 179.25 179.34 3m49 h ALA 137 N 1.30 0.99 -0.23 0.00 0.00 -0.79 -0.61 119.26 119.93 3m49 h ALA 137 Ca 0.23 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 3m49 h ALA 137 Cb 0.20 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3m49 h ALA 137 CO -0.20 0.67 -0.55 0.87 0.00 0.00 0.00 179.25 180.04 3m49 h LYS 138 N 1.11 0.69 0.00 0.00 1.57 -0.77 -3.40 116.57 115.77 3m49 h LYS 138 Ca 0.24 -0.44 -0.22 0.00 -1.87 0.00 0.00 60.65 58.36 3m49 h LYS 138 Cb 0.32 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.64 3m49 h LYS 138 CO -0.01 1.06 -1.84 0.66 -0.57 0.00 0.00 179.45 178.75 3m49 n TYR 139 N -3.98 0.00 -1.94 -1.35 4.01 -0.17 -4.99 117.16 108.75 3m49 n TYR 139 Ca -0.04 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.29 3m49 n TYR 139 Cb 0.62 -0.59 -0.01 0.00 -0.31 0.00 0.00 39.34 39.04 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 -4.78 6.53 -0.02 7.72 0.01 -0.24 -4.88 114.94 119.26 3m49 s ASN 140 Ca -0.10 2.89 0.00 0.00 -0.71 0.00 0.00 52.86 54.94 3m49 s ASN 140 Cb 0.04 -2.66 0.03 0.00 0.41 0.00 0.00 41.25 39.07 3m49 s ASN 140 CO 0.45 -0.73 0.02 -0.13 -1.51 0.00 0.00 177.10 175.20 3m49 s ARG 141 N -1.85 0.11 6.64 -0.60 1.81 -1.03 -4.93 118.95 119.11 3m49 s ARG 141 Ca 0.52 0.13 0.00 0.00 -1.72 0.00 0.00 55.73 54.66 3m49 s ARG 141 Cb -0.44 -0.34 0.00 0.00 -0.45 0.00 0.00 34.95 33.72 3m49 s ARG 141 CO 0.58 -0.15 0.00 -0.25 -0.68 0.00 0.00 175.30 174.80 3m49 n ASP 142 N 4.11 0.00 -0.55 0.23 8.00 -1.26 -0.16 116.55 126.92 3m49 n ASP 142 Ca -0.27 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.31 3m49 n ASP 142 Cb 0.51 0.00 0.27 0.00 -0.02 0.00 0.00 41.12 41.88 3m49 n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3m49 n ALA 143 N 11.29 2.49 -2.95 2.24 0.00 -1.26 -4.60 120.51 127.73 3m49 n ALA 143 Ca 0.00 -0.53 -0.44 0.00 0.00 0.00 0.00 53.44 52.47 3m49 n ALA 143 Cb 0.00 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.69 3.36 -1.37 0.00 2.02 0.77 -4.90 117.35 115.54 3m49 s TYR 144 Ca 0.27 -1.85 -0.12 0.00 -0.37 0.00 0.00 57.07 55.01 3m49 s TYR 144 Cb 0.14 -4.29 0.10 0.00 -0.40 0.00 0.00 41.96 37.51 3m49 s TYR 144 CO 0.21 -1.42 2.07 0.27 -1.57 0.00 0.00 175.55 175.11 3m49 n ASN 145 N 5.95 4.59 -0.24 2.29 6.94 -1.26 -2.45 115.26 131.07 3m49 n ASN 145 Ca 0.31 -2.97 -0.08 0.00 -0.02 0.00 0.00 54.58 51.82 3m49 n ASN 145 Cb 0.45 -1.56 0.04 0.00 -2.36 0.00 0.00 39.78 36.35 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 3.83 1.26 -3.65 1.53 1.08 -1.90 -3.37 117.51 116.30 3m49 h ILE 146 Ca 0.49 -0.98 -0.69 0.00 -0.39 0.00 0.00 64.86 63.29 3m49 h ILE 146 Cb 0.62 0.60 -0.28 0.00 -3.07 0.00 0.00 36.82 34.69 3m49 h ILE 146 CO 1.76 0.37 -0.60 -0.69 -0.69 0.00 0.00 178.15 178.29 3m49 s VAL 147 N -5.29 3.89 -0.40 1.67 1.01 -1.26 -4.86 120.40 115.17 3m49 s VAL 147 Ca -0.12 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 60.90 3m49 s VAL 147 Cb 0.14 -3.15 0.18 0.00 0.00 0.00 0.00 36.38 33.56 3m49 s VAL 147 CO 0.84 -0.11 0.75 -0.62 0.00 0.00 0.00 175.10 175.96 3m49 s ASP 148 N 1.44 -1.22 0.32 3.32 -1.08 -1.26 -4.54 116.67 113.65 3m49 s ASP 148 Ca -0.00 -0.69 -0.13 0.00 -0.52 0.00 0.00 52.55 51.21 3m49 s ASP 148 Cb -0.19 1.56 0.02 0.00 -1.46 0.00 0.00 42.92 42.85 3m49 s ASP 148 CO 0.03 -0.13 0.62 -1.38 0.52 0.00 0.00 175.17 174.83 3m49 s HIS 149 N 1.79 0.36 0.33 -5.34 -3.43 -1.26 -4.99 115.29 102.75 3m49 s HIS 149 Ca 0.17 -0.80 0.07 0.00 -0.80 0.00 0.00 55.06 53.70 3m49 s HIS 149 Cb -0.02 0.42 -0.03 0.00 -1.43 0.00 0.00 32.58 31.53 3m49 s HIS 149 CO -0.09 -1.26 0.31 0.71 -2.00 0.00 0.00 174.74 172.41 3m49 s TYR 150 N -3.23 2.93 -0.13 0.38 1.51 -1.26 -4.94 117.35 112.61 3m49 s TYR 150 Ca 0.20 -0.29 -0.00 0.00 -1.01 0.00 0.00 57.07 55.97 3m49 s TYR 150 Cb -0.03 -1.81 0.03 0.00 -0.11 0.00 0.00 41.96 40.05 3m49 s TYR 150 CO 0.12 0.17 -0.07 0.99 -1.11 0.00 0.00 175.55 175.66 3m49 s THR 151 N -2.29 1.07 0.17 -0.71 2.01 -0.18 -1.49 115.64 114.21 3m49 s THR 151 Ca 0.41 -0.42 0.09 0.00 0.31 0.00 0.00 61.69 62.08 3m49 s THR 151 Cb -0.06 -1.14 -0.04 0.00 0.01 0.00 0.00 72.50 71.26 3m49 s THR 151 CO 0.27 0.28 -0.13 -0.31 -0.69 0.00 0.00 174.62 174.04 3m49 s TYR 152 N 1.68 2.57 0.04 4.92 1.51 0.11 -1.28 117.35 126.89 3m49 s TYR 152 Ca 0.03 -0.25 -0.09 0.00 -1.01 0.00 0.00 57.07 55.76 3m49 s TYR 152 Cb -0.14 -1.28 0.00 0.00 -0.11 0.00 0.00 41.96 40.43 3m49 s TYR 152 CO -0.08 0.48 0.18 0.00 -1.11 0.00 0.00 175.55 175.02 3m49 s ALA 153 N -1.57 -0.32 -0.08 3.71 0.00 -0.86 -0.99 121.76 121.65 3m49 s ALA 153 Ca 0.23 -0.31 0.04 0.00 0.00 0.00 0.00 51.96 51.92 3m49 s ALA 153 Cb -0.09 0.28 -0.01 0.00 0.00 0.00 0.00 23.12 23.30 3m49 s ALA 153 CO 0.13 -0.36 -0.22 0.42 0.00 0.00 0.00 175.76 175.74 3m49 s ILE 154 N -2.56 2.29 0.18 0.00 1.01 -0.73 -0.39 121.20 121.00 3m49 s ILE 154 Ca -0.05 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 59.65 3m49 s ILE 154 Cb -0.01 -1.87 -0.05 0.00 0.01 0.00 0.00 42.46 40.54 3m49 s ILE 154 CO -0.04 0.56 0.02 0.00 0.00 0.00 0.00 174.94 175.48 3m49 n GLY 156 N -0.25 4.15 0.26 0.00 0.00 -1.26 -0.83 105.19 107.27 3m49 n GLY 156 Ca -0.05 -2.12 -0.06 0.00 0.00 0.00 0.00 46.02 43.78 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 0.04 0.78 -0.71 1.61 3.32 -1.89 -2.88 116.42 116.69 3m49 h ASP 157 Ca -0.01 -0.07 0.09 0.00 0.02 0.00 0.00 57.03 57.06 3m49 h ASP 157 Cb 0.03 -0.20 -0.07 0.00 0.22 0.00 0.00 39.33 39.31 3m49 h ASP 157 CO 0.02 0.62 0.35 1.23 -1.72 0.00 0.00 179.24 179.74 3m49 h GLY 158 N 0.87 1.06 0.45 2.75 0.00 -1.96 -1.08 103.07 105.16 3m49 h GLY 158 Ca 0.23 -0.22 0.14 0.00 0.00 0.00 0.00 47.33 47.48 3m49 h GLY 158 CO -0.04 0.05 0.60 -0.55 0.00 0.00 0.00 176.54 176.60 3m49 h ASP 159 N 0.60 0.76 -0.78 0.19 3.32 -1.87 -3.10 116.42 115.53 3m49 h ASP 159 Ca 0.35 0.05 -0.41 0.00 0.02 0.00 0.00 57.03 57.04 3m49 h ASP 159 Cb 0.37 -0.10 -0.15 0.00 0.22 0.00 0.00 39.33 39.67 3m49 h ASP 159 CO -0.27 0.38 0.25 0.18 -1.72 0.00 0.00 179.24 178.06 3m49 n LEU 160 N -4.60 6.24 -0.74 1.55 4.77 -0.41 -4.17 117.00 119.63 3m49 n LEU 160 Ca 0.19 -3.78 0.00 0.00 -0.03 0.00 0.00 56.01 52.39 3m49 n LEU 160 Cb 0.45 -1.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 3m49 n LEU 160 CO 0.28 1.64 0.00 -0.62 -1.33 0.00 0.00 177.39 177.36 3m49 n GLU 162 N 1.10 0.00 0.08 3.23 -0.58 -1.17 -4.85 120.64 118.45 3m49 n GLU 162 Ca 0.44 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 57.27 3m49 n GLU 162 Cb 0.62 -0.31 0.55 0.00 -0.57 0.00 0.00 31.44 31.73 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 0.87 0.29 1.88 0.62 0.00 -1.95 -2.46 103.07 102.31 3m49 h GLY 163 Ca 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.18 3m49 h GLY 163 CO 0.00 0.08 -0.18 -0.24 0.00 0.00 0.00 176.54 176.20 3m49 h VAL 164 N 0.25 1.18 -0.02 4.60 3.04 -1.91 -1.13 116.25 122.26 3m49 h VAL 164 Ca 0.13 -0.83 -0.18 0.00 -1.01 0.00 0.00 66.70 64.81 3m49 h VAL 164 Cb 0.20 1.32 -0.01 0.00 -2.01 0.00 0.00 31.29 30.79 3m49 h VAL 164 CO -0.03 0.25 -0.78 0.77 -1.01 0.00 0.00 177.57 176.77 3m49 h SER 165 N 0.14 0.24 -0.14 3.17 4.64 -1.60 -1.75 113.55 118.25 3m49 h SER 165 Ca 0.03 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.16 3m49 h SER 165 Cb 0.41 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 3m49 h SER 165 CO 0.03 0.93 0.05 0.00 -0.87 0.00 0.00 176.83 176.96 3m49 h ALA 166 N 1.06 0.18 -0.16 5.18 0.00 -1.29 -1.10 119.26 123.13 3m49 h ALA 166 Ca -0.03 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.80 3m49 h ALA 166 Cb 1.37 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 3m49 h ALA 166 CO 0.12 -0.22 -0.07 0.93 0.00 0.00 0.00 179.25 180.01 3m49 h GLU 167 N 0.05 -0.05 -0.45 0.00 5.08 -1.18 -1.72 114.58 116.30 3m49 h GLU 167 Ca 0.04 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3m49 h GLU 167 Cb 0.20 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3m49 h GLU 167 CO -0.00 -0.04 0.11 0.00 -1.00 0.00 0.00 179.01 178.08 3m49 h ALA 168 N 1.08 1.35 -0.18 3.43 0.00 -1.22 -1.49 119.26 122.25 3m49 h ALA 168 Ca 0.09 -0.17 -0.19 0.00 0.00 0.00 0.00 54.91 54.63 3m49 h ALA 168 Cb 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3m49 h ALA 168 CO -0.19 0.46 -0.66 0.77 0.00 0.00 0.00 179.25 179.63 3m49 h SER 169 N 0.65 0.78 -0.37 0.00 0.02 -0.97 0.83 113.55 114.50 3m49 h SER 169 Ca 0.15 -0.47 0.01 0.00 -0.84 0.00 0.00 61.79 60.64 3m49 h SER 169 Cb 0.25 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 3m49 h SER 169 CO -0.00 1.24 0.24 -1.28 -1.14 0.00 0.00 176.83 175.88 3m49 h SER 170 N 0.49 0.41 -0.46 3.07 0.87 -1.07 -1.88 113.55 114.97 3m49 h SER 170 Ca -0.02 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.48 3m49 h SER 170 Cb 1.26 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 63.10 3m49 h SER 170 CO 0.13 0.29 0.07 0.25 -0.53 0.00 0.00 176.83 177.05 3m49 h LEU 171 N 0.49 0.74 -1.01 2.23 5.85 -1.10 -2.00 115.31 120.51 3m49 h LEU 171 Ca 0.14 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 3m49 h LEU 171 Cb -0.04 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 3m49 h LEU 171 CO -0.04 0.81 0.24 0.00 -0.34 0.00 0.00 178.44 179.11 3m49 h ALA 172 N 0.95 1.22 -0.37 1.25 0.00 -0.71 -1.26 119.26 120.34 3m49 h ALA 172 Ca 0.14 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 3m49 h ALA 172 Cb 0.39 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3m49 h ALA 172 CO 0.01 0.57 -0.38 0.00 0.00 0.00 0.00 179.25 179.44 3m49 h ALA 173 N 1.33 0.54 -0.83 0.00 0.00 -1.23 -1.85 119.26 117.22 3m49 h ALA 173 Ca 0.22 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3m49 h ALA 173 Cb 0.20 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3m49 h ALA 173 CO -0.02 0.64 0.49 1.25 0.00 0.00 0.00 179.25 181.62 3m49 h HIS 174 N 0.72 1.10 -0.00 0.00 6.17 -0.83 -1.19 115.15 121.11 3m49 h HIS 174 Ca 0.06 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.13 3m49 h HIS 174 Cb 0.98 -0.36 0.00 0.00 2.52 0.00 0.00 27.41 30.55 3m49 h HIS 174 CO 0.07 0.74 -0.03 1.28 0.71 0.00 0.00 177.93 180.70 3m49 n LEU 175 N -4.37 0.37 -3.64 0.26 4.77 -0.53 -4.61 117.00 109.26 3m49 n LEU 175 Ca 0.09 -0.04 -0.22 0.00 -0.03 0.00 0.00 56.01 55.80 3m49 n LEU 175 Cb 0.07 -0.09 0.04 0.00 -2.33 0.00 0.00 43.42 41.11 3m49 n LEU 175 CO 0.38 0.06 -0.06 0.00 -1.33 0.00 0.00 177.39 176.44 3m49 n GLN 176 N -0.83 -3.92 -2.50 3.23 6.02 -0.45 -4.30 117.38 114.63 3m49 n GLN 176 Ca 0.19 0.62 -0.43 0.00 -0.01 0.00 0.00 57.00 57.37 3m49 n GLN 176 Cb 0.21 -5.06 0.00 0.00 1.02 0.00 0.00 30.24 26.41 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 -4.13 5.50 0.00 1.08 4.77 -0.89 -4.59 117.00 118.74 3m49 n LEU 177 Ca -0.24 -4.15 0.07 0.00 -0.03 0.00 0.00 56.01 51.66 3m49 n LEU 177 Cb 0.66 -1.68 0.37 0.00 -2.33 0.00 0.00 43.42 40.44 3m49 n LEU 177 CO 0.67 0.57 0.72 0.61 -1.33 0.00 0.00 177.39 178.63 3m49 n GLY 178 N 4.62 -0.85 0.65 -0.72 0.00 -1.25 -2.19 105.19 105.45 3m49 n GLY 178 Ca 0.46 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.54 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 -1.34 1.89 -3.40 1.61 1.74 -1.26 -4.72 116.66 111.18 3m49 n ARG 179 Ca 0.06 -1.30 -0.38 0.00 -0.77 0.00 0.00 57.85 55.46 3m49 n ARG 179 Cb 0.14 -1.47 -0.08 0.00 -1.02 0.00 0.00 32.46 30.03 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 -1.95 4.11 -0.12 0.55 2.96 -0.93 -1.02 118.68 122.29 3m49 s LEU 180 Ca 0.35 0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 54.66 3m49 s LEU 180 Cb 0.21 -2.47 0.03 0.00 0.50 0.00 0.00 46.19 44.46 3m49 s LEU 180 CO 0.32 -0.11 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.50 3m49 s VAL 181 N 1.59 0.88 -0.18 1.68 1.01 -0.40 -1.43 120.40 123.55 3m49 s VAL 181 Ca 0.17 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 61.84 3m49 s VAL 181 Cb -0.15 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 3m49 s VAL 181 CO 0.08 0.27 -0.08 -0.69 0.00 0.00 0.00 175.10 174.68 3m49 s VAL 182 N 1.76 3.27 -0.25 2.92 1.01 0.76 -2.03 120.40 127.84 3m49 s VAL 182 Ca 0.04 -0.56 -0.16 0.00 0.00 0.00 0.00 61.98 61.31 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 0.48 0.40 -0.76 0.00 0.00 0.00 175.10 175.14 3m49 s LEU 183 N 0.90 4.08 -0.40 3.92 1.43 0.47 -0.62 118.68 128.46 3m49 s LEU 183 Ca -0.02 0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 53.36 3m49 s LEU 183 Cb -0.15 -2.48 0.05 0.00 0.03 0.00 0.00 46.19 43.64 3m49 s LEU 183 CO 0.00 -0.16 0.25 -0.47 0.23 0.00 0.00 176.35 176.21 3m49 s TYR 184 N 1.83 3.27 -0.75 0.29 5.04 0.46 -1.21 117.35 126.28 3m49 s TYR 184 Ca 0.17 -1.10 -0.26 0.00 -2.44 0.00 0.00 57.07 53.44 3m49 s TYR 184 Cb -0.15 -2.67 0.00 0.00 0.35 0.00 0.00 41.96 39.48 3m49 s TYR 184 CO 0.09 -0.72 1.63 0.34 -1.34 0.00 0.00 175.55 175.55 3m49 s ASP 185 N 1.84 5.69 -0.51 4.32 2.15 -0.01 -0.47 116.67 129.69 3m49 s ASP 185 Ca 0.03 -0.28 -0.12 0.00 0.43 0.00 0.00 52.55 52.60 3m49 s ASP 185 Cb -0.21 -2.55 0.13 0.00 -0.30 0.00 0.00 42.92 39.99 3m49 s ASP 185 CO 0.06 -2.15 0.42 -0.55 -0.17 0.00 0.00 175.17 172.77 3m49 s SER 186 N 6.27 5.91 0.00 -0.34 0.15 -0.30 -4.19 113.70 121.21 3m49 s SER 186 Ca 0.54 -1.88 0.00 0.00 0.70 0.00 0.00 55.95 55.31 3m49 s SER 186 Cb -0.09 -2.09 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 3m49 s SER 186 CO 0.12 -0.76 0.67 -0.46 1.20 0.00 0.00 173.24 174.01 3m49 n ASN 187 N 5.03 1.21 -0.00 5.45 0.23 -1.26 -2.09 115.26 123.82 3m49 n ASN 187 Ca -0.10 -1.43 -0.00 0.00 -0.53 0.00 0.00 54.58 52.52 3m49 n ASN 187 Cb 0.40 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 38.10 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 -0.22 -4.28 -4.08 0.53 8.00 -1.26 -4.58 116.55 110.66 3m49 n ASP 188 Ca 0.00 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.25 3m49 n ASP 188 Cb 0.19 -1.79 -0.16 0.00 -0.02 0.00 0.00 41.12 39.34 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 -1.58 1.25 0.48 0.53 1.09 -1.26 -1.53 121.20 120.18 3m49 s ILE 189 Ca 0.00 -0.59 0.02 0.00 -1.10 0.00 0.00 60.65 58.98 3m49 s ILE 189 Cb 0.00 -1.09 0.02 0.00 -1.06 0.00 0.00 42.46 40.33 3m49 s ILE 189 CO 0.00 0.37 0.20 -1.54 -0.10 0.00 0.00 174.94 173.87 3m49 n SER 190 N 3.38 2.91 -0.36 3.58 3.41 -0.33 -4.82 113.62 121.39 3m49 n SER 190 Ca -0.20 -2.86 0.07 0.00 -0.26 0.00 0.00 58.87 55.62 3m49 n SER 190 Cb 0.53 0.13 0.23 0.00 -0.26 0.00 0.00 64.21 64.84 3m49 n SER 190 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3m49 h LEU 191 N 0.00 0.92 -0.67 1.04 6.46 -1.99 -2.46 115.31 118.62 3m49 h LEU 191 Ca -0.35 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.46 3m49 h LEU 191 Cb 1.16 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.95 3m49 h LEU 191 CO 0.56 0.49 -0.07 0.47 -0.62 0.00 0.00 178.44 179.27 3m49 n ASP 192 N -4.62 1.11 0.00 1.25 8.00 -1.26 -4.89 116.55 116.14 3m49 n ASP 192 Ca 0.19 -1.20 0.00 0.00 0.71 0.00 0.00 54.79 54.49 3m49 n ASP 192 Cb 0.34 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 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 1.21 0.57 3.69 0.44 0.00 -0.93 -5.04 105.19 105.13 3m49 n GLY 193 Ca 0.17 -1.61 -0.44 0.00 0.00 0.00 0.00 46.02 44.14 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 3.68 -0.30 1.61 10.43 -1.26 -1.19 116.55 129.52 3m49 n ASP 194 Ca 0.00 1.03 0.20 0.00 2.57 0.00 0.00 54.79 58.59 3m49 n ASP 194 Cb 0.00 -1.50 0.47 0.00 1.84 0.00 0.00 41.12 41.94 3m49 n ASP 194 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 3m49 h LEU 195 N 7.43 0.50 0.00 0.64 5.85 -1.59 -0.29 115.31 127.85 3m49 h LEU 195 Ca -0.45 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.34 3m49 h LEU 195 Cb 1.23 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.25 3m49 h LEU 195 CO 0.93 0.15 0.00 -0.46 -0.34 0.00 0.00 178.44 178.72 3m49 n ASN 196 N -4.62 0.00 0.18 1.25 0.23 -1.25 -0.69 115.26 110.36 3m49 n ASN 196 Ca 0.23 -0.18 0.13 0.00 -0.53 0.00 0.00 54.58 54.24 3m49 n ASN 196 Cb 0.76 -0.04 0.38 0.00 -2.08 0.00 0.00 39.78 38.80 3m49 n ASN 196 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 3m49 h ARG 197 N 0.00 0.00 0.00 -3.83 2.47 -1.41 -3.40 114.38 108.21 3m49 h ARG 197 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3m49 h ARG 197 Cb 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 3m49 h ARG 197 CO 0.00 0.00 0.00 -1.13 0.56 0.00 0.00 179.97 179.40 3m49 n SER 198 N -2.68 0.00 -3.55 7.04 3.41 -0.28 -5.10 113.62 112.47 3m49 n SER 198 Ca 0.04 -0.61 -0.19 0.00 -0.26 0.00 0.00 58.87 57.84 3m49 n SER 198 Cb 0.42 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.22 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 -0.17 0.00 7.33 5.99 0.14 -4.99 117.98 126.28 3m49 s PHE 199 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 56.93 57.13 3m49 s PHE 199 Cb 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 43.02 42.62 3m49 s PHE 199 CO 0.00 -0.52 0.52 -1.13 -0.00 0.00 0.00 175.22 174.08 3m49 n SER 200 N 5.31 0.39 -4.71 6.13 3.41 -1.26 -3.85 113.62 119.03 3m49 n SER 200 Ca -0.06 -1.17 -0.30 0.00 -0.26 0.00 0.00 58.87 57.08 3m49 n SER 200 Cb 0.49 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.58 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 -0.17 1.38 -0.61 4.33 -1.05 -1.26 -4.96 118.70 116.35 3m49 s GLU 201 Ca 0.00 1.02 -0.23 0.00 -0.15 0.00 0.00 54.97 55.61 3m49 s GLU 201 Cb 0.00 -1.81 0.06 0.00 -0.44 0.00 0.00 34.13 31.94 3m49 s GLU 201 CO 0.00 -2.21 0.95 0.45 0.95 0.00 0.00 175.26 175.40 3m49 s SER 202 N -3.25 6.24 0.16 0.83 0.15 -1.26 -4.90 113.70 111.66 3m49 s SER 202 Ca 0.63 -0.71 -0.13 0.00 0.70 0.00 0.00 55.95 56.45 3m49 s SER 202 Cb -0.19 -2.42 0.05 0.00 -1.71 0.00 0.00 66.02 61.75 3m49 s SER 202 CO 0.57 -1.34 1.70 0.58 1.20 0.00 0.00 173.24 175.95 3m49 h VAL 203 N 5.99 1.23 -0.63 4.45 2.07 -1.99 -1.35 116.25 126.01 3m49 h VAL 203 Ca -0.28 -0.74 0.07 0.00 0.82 0.00 0.00 66.70 66.57 3m49 h VAL 203 Cb 1.07 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 31.49 3m49 h VAL 203 CO 1.14 0.28 0.31 -0.08 0.02 0.00 0.00 177.57 179.24 3m49 h GLU 204 N 0.73 0.55 -0.08 1.57 4.81 -1.99 -0.21 114.58 119.95 3m49 h GLU 204 Ca 0.17 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.23 3m49 h GLU 204 Cb 0.25 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3m49 h GLU 204 CO -0.01 0.37 -0.56 -0.44 -0.73 0.00 0.00 179.01 177.63 3m49 h ASP 205 N 0.57 0.29 -0.21 1.04 3.32 -1.88 -1.17 116.42 118.38 3m49 h ASP 205 Ca 0.29 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 3m49 h ASP 205 Cb 0.25 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3m49 h ASP 205 CO -0.22 0.79 0.08 -0.09 -1.72 0.00 0.00 179.24 178.08 3m49 h ARG 206 N 0.20 0.32 -0.74 3.56 2.43 -0.75 -1.30 114.38 118.10 3m49 h ARG 206 Ca -0.00 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.05 3m49 h ARG 206 Cb 1.05 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.52 3m49 h ARG 206 CO 0.09 0.40 0.24 1.88 -1.51 0.00 0.00 179.97 181.07 3m49 h TYR 207 N 0.18 1.17 -0.59 2.20 -1.99 -0.88 -1.45 116.97 115.61 3m49 h TYR 207 Ca 0.07 -0.11 -0.01 0.00 2.00 0.00 0.00 58.73 60.68 3m49 h TYR 207 Cb 0.20 -0.34 -0.03 0.00 2.00 0.00 0.00 36.73 38.56 3m49 h TYR 207 CO -0.00 0.91 0.31 0.87 -0.00 0.00 0.00 178.16 180.25 3m49 h LYS 208 N 1.09 0.82 -0.44 4.88 1.57 -1.14 -1.15 116.57 122.18 3m49 h LYS 208 Ca 0.24 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 3m49 h LYS 208 Cb 0.29 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 3m49 h LYS 208 CO -0.01 0.61 0.06 0.00 -0.57 0.00 0.00 179.45 179.54 3m49 h ALA 209 N 1.52 1.27 -0.46 3.86 0.00 -0.41 -2.25 119.26 122.79 3m49 h ALA 209 Ca 0.21 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3m49 h ALA 209 Cb 0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3m49 h ALA 209 CO -0.03 0.50 -0.07 1.88 0.00 0.00 0.00 179.25 181.53 3m49 h TYR 210 N 0.66 0.88 0.00 0.00 0.05 -0.77 -3.46 116.97 114.32 3m49 h TYR 210 Ca 0.14 -0.15 0.00 0.00 0.05 0.00 0.00 58.73 58.77 3m49 h TYR 210 Cb 0.33 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 37.84 3m49 h TYR 210 CO 0.02 0.84 0.00 0.41 -1.05 0.00 0.00 178.16 178.38 3m49 n GLY 211 N -0.49 1.94 3.85 3.88 0.00 -0.85 -4.65 105.19 108.88 3m49 n GLY 211 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.94 3.40 0.09 1.61 0.52 -0.48 -4.60 118.94 117.53 3m49 s TRP 212 Ca 0.00 1.19 -0.30 0.00 0.02 0.00 0.00 56.10 57.01 3m49 s TRP 212 Cb 0.00 -2.53 -0.06 0.00 -1.15 0.00 0.00 33.47 29.73 3m49 s TRP 212 CO 0.00 0.02 1.07 -1.14 0.02 0.00 0.00 176.95 176.92 3m49 s GLN 213 N -3.24 4.57 -0.10 4.98 0.74 -0.23 -4.21 119.66 122.17 3m49 s GLN 213 Ca 0.54 1.61 0.03 0.00 0.05 0.00 0.00 55.36 57.58 3m49 s GLN 213 Cb -0.10 -3.36 0.01 0.00 1.10 0.00 0.00 33.01 30.66 3m49 s GLN 213 CO 0.21 -0.01 -0.19 0.08 -0.55 0.00 0.00 175.29 174.83 3m49 s VAL 214 N 0.43 1.70 -0.08 1.34 1.01 -1.26 -1.07 120.40 122.47 3m49 s VAL 214 Ca 0.52 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.73 3m49 s VAL 214 Cb -0.26 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.62 3m49 s VAL 214 CO 0.31 0.48 -0.16 -0.63 0.00 0.00 0.00 175.10 175.10 3m49 s ILE 215 N 0.64 1.44 -0.16 2.22 1.01 -0.24 -5.00 121.20 121.11 3m49 s ILE 215 Ca -0.13 -0.66 -0.10 0.00 0.00 0.00 0.00 60.65 59.76 3m49 s ILE 215 Cb -0.16 -1.29 -0.05 0.00 0.01 0.00 0.00 42.46 40.97 3m49 s ILE 215 CO 0.04 0.42 0.17 -0.60 0.00 0.00 0.00 174.94 174.97 3m49 s ARG 216 N 0.57 3.98 -0.31 2.79 3.52 -1.26 -0.63 118.95 127.60 3m49 s ARG 216 Ca -0.16 -0.12 -0.04 0.00 -0.13 0.00 0.00 55.73 55.28 3m49 s ARG 216 Cb -0.16 -3.35 0.04 0.00 -1.56 0.00 0.00 34.95 29.92 3m49 s ARG 216 CO 0.05 0.44 0.04 0.08 -0.81 0.00 0.00 175.30 175.11 3m49 s VAL 217 N -0.07 3.34 0.32 7.11 1.01 0.75 -4.95 120.40 127.92 3m49 s VAL 217 Ca 0.12 -1.23 0.08 0.00 0.00 0.00 0.00 61.98 60.94 3m49 s VAL 217 Cb -0.12 -2.89 0.07 0.00 0.00 0.00 0.00 36.38 33.44 3m49 s VAL 217 CO 0.01 -0.11 1.76 -0.33 0.00 0.00 0.00 175.10 176.43 3m49 h GLU 218 N 8.10 0.23 -4.34 2.72 4.39 -1.89 -0.86 114.58 122.92 3m49 h GLU 218 Ca -0.23 -0.09 -0.63 0.00 0.34 0.00 0.00 59.36 58.75 3m49 h GLU 218 Cb 1.07 -0.01 -0.39 0.00 -0.10 0.00 0.00 28.75 29.32 3m49 h GLU 218 CO 0.56 0.54 -0.75 0.34 -1.16 0.00 0.00 179.01 178.55 3m49 s ASP 219 N -6.88 4.39 0.39 1.42 3.68 -1.26 -4.50 116.67 113.91 3m49 s ASP 219 Ca -0.05 -1.79 0.25 0.00 2.13 0.00 0.00 52.55 53.10 3m49 s ASP 219 Cb 0.14 -1.34 1.36 0.00 -1.45 0.00 0.00 42.92 41.63 3m49 s ASP 219 CO 0.76 -0.35 1.76 1.23 0.13 0.00 0.00 175.17 178.70 3m49 h GLY 220 N 7.81 0.00 0.62 2.66 0.00 -1.02 -0.15 103.07 112.99 3m49 h GLY 220 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3m49 h GLY 220 CO 0.48 0.00 -0.35 0.70 0.00 0.00 0.00 176.54 177.37 3m49 n ASN 221 N -2.40 0.76 -4.44 0.19 3.02 -1.26 -4.64 115.26 106.50 3m49 n ASN 221 Ca -0.02 -0.58 -0.44 0.00 -0.03 0.00 0.00 54.58 53.51 3m49 n ASN 221 Cb 0.07 0.17 -0.03 0.00 -0.61 0.00 0.00 39.78 39.38 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 -2.72 6.37 0.43 6.41 3.68 -0.07 -4.88 116.67 125.90 3m49 s ASP 222 Ca 0.19 -1.53 0.24 0.00 2.13 0.00 0.00 52.55 53.57 3m49 s ASP 222 Cb 0.19 -2.39 0.85 0.00 -1.45 0.00 0.00 42.92 40.12 3m49 s ASP 222 CO 0.60 -1.22 1.79 0.16 0.13 0.00 0.00 175.17 176.63 3m49 h ILE 223 N 5.89 0.52 -0.34 4.11 3.07 -1.85 -2.07 117.51 126.84 3m49 h ILE 223 Ca -0.10 -1.17 -0.13 0.00 1.55 0.00 0.00 64.86 65.01 3m49 h ILE 223 Cb 1.05 1.82 -0.01 0.00 -0.27 0.00 0.00 36.82 39.41 3m49 h ILE 223 CO 1.13 0.22 -0.32 -0.33 -1.05 0.00 0.00 178.15 177.80 3m49 h GLU 224 N 0.00 0.74 -0.37 0.16 5.08 -1.97 0.12 114.58 118.34 3m49 h GLU 224 Ca -0.00 -0.34 -0.16 0.00 -1.00 0.00 0.00 59.36 57.86 3m49 h GLU 224 Cb 0.80 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 3m49 h GLU 224 CO 0.03 0.96 -0.39 0.00 -1.00 0.00 0.00 179.01 178.61 3m49 h ALA 225 N 1.02 0.60 -0.62 3.43 0.00 -1.87 -1.70 119.26 120.13 3m49 h ALA 225 Ca 0.07 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 3m49 h ALA 225 Cb 0.84 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3m49 h ALA 225 CO 0.07 0.68 0.20 0.82 0.00 0.00 0.00 179.25 181.02 3m49 h ILE 226 N 0.74 1.24 -0.81 0.00 2.04 -1.15 -1.62 117.51 117.95 3m49 h ILE 226 Ca 0.06 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.08 3m49 h ILE 226 Cb 0.98 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 3m49 h ILE 226 CO 0.09 0.31 0.43 0.00 0.00 0.00 0.00 178.15 178.98 3m49 h ALA 227 N 1.07 1.05 -0.73 1.87 0.00 -0.67 -1.81 119.26 120.04 3m49 h ALA 227 Ca 0.20 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3m49 h ALA 227 Cb 0.27 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3m49 h ALA 227 CO -0.01 0.58 0.37 0.87 0.00 0.00 0.00 179.25 181.06 3m49 h LYS 228 N 1.14 1.03 -0.37 0.00 1.57 -0.96 -1.48 116.57 117.50 3m49 h LYS 228 Ca 0.28 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 3m49 h LYS 228 Cb 0.07 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 3m49 h LYS 228 CO -0.04 0.78 0.04 0.00 -0.57 0.00 0.00 179.45 179.66 3m49 h ALA 229 N 1.37 0.50 -0.73 3.86 0.00 -0.78 -0.92 119.26 122.57 3m49 h ALA 229 Ca 0.26 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3m49 h ALA 229 Cb 0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3m49 h ALA 229 CO -0.04 0.22 0.26 0.82 0.00 0.00 0.00 179.25 180.52 3m49 h ILE 230 N 0.47 1.25 -0.38 0.00 2.04 -1.12 0.16 117.51 119.93 3m49 h ILE 230 Ca 0.11 -0.84 -0.03 0.00 1.00 0.00 0.00 64.86 65.10 3m49 h ILE 230 Cb 0.39 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 3m49 h ILE 230 CO 0.01 0.33 0.11 -0.08 0.00 0.00 0.00 178.15 178.53 3m49 h GLU 231 N 1.07 0.60 -0.75 2.37 4.81 -1.12 -0.70 114.58 120.85 3m49 h GLU 231 Ca 0.24 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3m49 h GLU 231 Cb 0.25 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 3m49 h GLU 231 CO -0.01 0.62 0.45 1.49 -0.73 0.00 0.00 179.01 180.82 3m49 h GLU 232 N 0.47 1.02 -0.11 1.92 4.81 -0.83 -1.56 114.58 120.30 3m49 h GLU 232 Ca 0.12 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3m49 h GLU 232 Cb 0.27 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3m49 h GLU 232 CO -0.00 0.72 0.06 0.00 -0.73 0.00 0.00 179.01 179.07 3m49 h ALA 233 N 1.45 0.14 -0.21 2.92 0.00 -0.14 -2.85 119.26 120.56 3m49 h ALA 233 Ca 0.27 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3m49 h ALA 233 Cb -0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3m49 h ALA 233 CO -0.05 -0.34 -0.13 0.87 0.00 0.00 0.00 179.25 179.60 3m49 h LYS 234 N 0.10 0.35 0.00 0.00 1.57 -0.89 -2.55 116.57 115.15 3m49 h LYS 234 Ca 0.04 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 3m49 h LYS 234 Cb 0.05 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3m49 h LYS 234 CO -0.01 0.49 -0.20 0.00 -0.57 0.00 0.00 179.45 179.17 3m49 h ALA 235 N 1.54 1.43 -2.06 3.86 0.00 -1.07 -3.40 119.26 119.57 3m49 h ALA 235 Ca 0.06 -0.18 -0.63 0.00 0.00 0.00 0.00 54.91 54.16 3m49 h ALA 235 Cb 0.44 -0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.07 3m49 h ALA 235 CO 0.03 0.25 0.33 0.34 0.00 0.00 0.00 179.25 180.20 3m49 s ASP 236 N -6.60 6.40 0.01 0.00 -1.08 -0.96 -4.92 116.67 109.52 3m49 s ASP 236 Ca -0.03 -0.14 0.23 0.00 -0.52 0.00 0.00 52.55 52.10 3m49 s ASP 236 Cb 0.14 -2.38 0.22 0.00 -1.46 0.00 0.00 42.92 39.44 3m49 s ASP 236 CO 0.65 -0.90 1.20 -0.62 0.52 0.00 0.00 175.17 176.02 3m49 n GLU 237 N 6.68 0.05 -0.00 4.34 1.02 -1.26 -4.32 120.64 127.14 3m49 n GLU 237 Ca 0.02 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.26 3m49 n GLU 237 Cb 0.48 -1.52 -0.14 0.00 -0.02 0.00 0.00 31.44 30.24 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 -1.58 0.37 -4.73 3.49 5.02 -1.26 -3.88 118.16 115.59 3m49 n LYS 238 Ca 0.04 -0.09 -0.24 0.00 -2.02 0.00 0.00 58.31 56.00 3m49 n LYS 238 Cb 0.35 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.71 3m49 n LYS 238 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3m49 s ARG 239 N -3.22 1.37 0.61 1.97 0.52 -1.26 -4.38 118.95 114.57 3m49 s ARG 239 Ca 0.00 -0.55 -0.19 0.00 -0.52 0.00 0.00 55.73 54.47 3m49 s ARG 239 Cb 0.15 -1.28 -0.03 0.00 0.52 0.00 0.00 34.95 34.31 3m49 s ARG 239 CO 0.88 0.29 1.27 -1.25 0.02 0.00 0.00 175.30 176.51 3m49 s PRO 240 N -0.21 2.81 -0.06 3.54 0.04 -1.17 -4.19 135.00 135.75 3m49 s PRO 240 Ca 0.03 2.00 0.04 0.00 0.04 0.00 0.00 61.00 63.11 3m49 s PRO 240 Cb -0.08 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 3m49 s PRO 240 CO 0.00 -1.38 -0.18 0.99 0.04 0.00 0.00 177.00 176.47 3m49 s THR 241 N -1.45 2.68 -0.21 1.26 2.01 -0.51 -1.06 115.64 118.36 3m49 s THR 241 Ca 0.79 -0.85 -0.04 0.00 0.31 0.00 0.00 61.69 61.90 3m49 s THR 241 Cb -0.35 -2.03 -0.01 0.00 0.01 0.00 0.00 72.50 70.11 3m49 s THR 241 CO 0.38 0.57 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.62 3m49 s LEU 242 N -0.34 2.96 -0.40 4.42 2.96 -0.23 -0.17 118.68 127.87 3m49 s LEU 242 Ca 0.03 -0.34 -0.09 0.00 -0.22 0.00 0.00 54.13 53.51 3m49 s LEU 242 Cb -0.12 -1.75 0.07 0.00 0.50 0.00 0.00 46.19 44.89 3m49 s LEU 242 CO 0.02 0.02 0.23 -0.63 -1.32 0.00 0.00 176.35 174.67 3m49 s ILE 243 N 1.23 4.20 -0.41 6.68 1.01 0.21 -1.08 121.20 133.04 3m49 s ILE 243 Ca 0.03 -1.30 -0.27 0.00 0.00 0.00 0.00 60.65 59.11 3m49 s ILE 243 Cb -0.14 -3.52 0.02 0.00 0.01 0.00 0.00 42.46 38.83 3m49 s ILE 243 CO -0.01 -0.43 0.98 -0.70 0.00 0.00 0.00 174.94 174.78 3m49 s GLU 244 N 1.43 3.75 -0.35 2.79 2.12 0.19 -0.40 118.70 128.23 3m49 s GLU 244 Ca 0.02 0.50 -0.10 0.00 0.36 0.00 0.00 54.97 55.75 3m49 s GLU 244 Cb -0.22 -3.85 0.02 0.00 0.26 0.00 0.00 34.13 30.34 3m49 s GLU 244 CO 0.03 -1.10 0.18 0.08 -0.54 0.00 0.00 175.26 173.90 3m49 s VAL 245 N 3.75 4.49 -0.49 3.70 1.01 0.37 -0.17 120.40 133.06 3m49 s VAL 245 Ca 0.40 -0.77 -0.29 0.00 0.00 0.00 0.00 61.98 61.33 3m49 s VAL 245 Cb -0.11 -3.45 0.03 0.00 0.00 0.00 0.00 36.38 32.85 3m49 s VAL 245 CO 0.23 -0.15 1.13 -0.13 0.00 0.00 0.00 175.10 176.19 3m49 s ARG 246 N 1.55 3.68 0.41 2.72 1.81 -0.33 -1.15 118.95 127.65 3m49 s ARG 246 Ca 0.02 0.49 0.07 0.00 -1.72 0.00 0.00 55.73 54.59 3m49 s ARG 246 Cb -0.19 -3.93 -0.07 0.00 -0.45 0.00 0.00 34.95 30.31 3m49 s ARG 246 CO 0.06 -1.42 0.05 0.95 -0.68 0.00 0.00 175.30 174.26 3m49 s THR 247 N 4.50 2.06 -0.27 0.02 -4.23 -0.89 -0.53 115.64 116.30 3m49 s THR 247 Ca 0.47 -1.93 -0.09 0.00 -1.18 0.00 0.00 61.69 58.96 3m49 s THR 247 Cb -0.07 -2.99 -0.03 0.00 1.34 0.00 0.00 72.50 70.75 3m49 s THR 247 CO 0.31 0.00 0.13 -0.89 -0.54 0.00 0.00 174.62 173.62 3m49 s THR 248 N -2.69 4.68 0.33 3.99 2.01 -1.26 -4.34 115.64 118.36 3m49 s THR 248 Ca 0.36 -0.14 -0.29 0.00 0.31 0.00 0.00 61.69 61.93 3m49 s THR 248 Cb 0.08 -3.26 -0.11 0.00 0.01 0.00 0.00 72.50 69.23 3m49 s THR 248 CO 0.19 0.24 1.54 0.00 -0.69 0.00 0.00 174.62 175.90 3m49 n ILE 249 N 4.98 1.48 -2.26 1.82 3.06 -1.26 -1.67 119.36 125.50 3m49 n ILE 249 Ca -0.15 -0.37 -0.20 0.00 -2.50 0.00 0.00 62.75 59.53 3m49 n ILE 249 Cb 0.51 -1.96 -0.02 0.00 0.54 0.00 0.00 39.64 38.71 3m49 n ILE 249 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3m49 n GLY 250 N 1.37 -0.09 3.58 4.50 0.00 -0.38 -0.49 105.19 113.68 3m49 n GLY 250 Ca 0.05 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.65 1.33 0.00 1.61 7.35 -0.67 -1.69 117.46 121.74 3m49 n PHE 251 Ca -0.23 0.69 0.00 0.00 -0.76 0.00 0.00 57.45 57.15 3m49 n PHE 251 Cb 0.67 -2.29 0.00 0.00 0.35 0.00 0.00 39.48 38.22 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 2.24 2.37 3.61 7.13 0.00 -1.26 -4.75 105.19 114.52 3m49 n GLY 252 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.05 6.69 0.29 1.61 0.15 -0.68 -4.27 113.70 117.43 3m49 s SER 253 Ca 0.00 0.57 0.02 0.00 0.70 0.00 0.00 55.95 57.25 3m49 s SER 253 Cb 0.00 -2.52 0.61 0.00 -1.71 0.00 0.00 66.02 62.40 3m49 s SER 253 CO 0.00 -1.09 1.80 -0.65 1.20 0.00 0.00 173.24 174.50 3m49 h PRO 254 N 8.84 0.83 0.00 5.44 0.11 -1.88 -2.41 132.00 142.92 3m49 h PRO 254 Ca -0.23 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3m49 h PRO 254 Cb 1.06 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3m49 h PRO 254 CO 1.07 0.55 -1.21 0.09 -0.21 0.00 0.00 178.00 178.29 3m49 n ASN 255 N -4.71 0.93 -0.00 -2.05 3.02 -1.26 -4.62 115.26 106.57 3m49 n ASN 255 Ca 0.20 -0.50 0.02 0.00 -0.03 0.00 0.00 54.58 54.27 3m49 n ASN 255 Cb 0.44 1.34 -0.04 0.00 -0.61 0.00 0.00 39.78 40.91 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 -1.69 0.21 -1.64 3.52 5.02 -1.21 -4.97 118.16 117.40 3m49 n LYS 256 Ca 0.00 -0.04 -0.44 0.00 -2.02 0.00 0.00 58.31 55.81 3m49 n LYS 256 Cb 0.34 -1.12 -0.02 0.00 -0.02 0.00 0.00 35.03 34.21 3m49 n LYS 256 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3m49 n SER 257 N -1.68 2.14 -0.19 4.39 3.41 -0.91 -1.80 113.62 118.98 3m49 n SER 257 Ca -0.01 1.18 -0.03 0.00 -0.26 0.00 0.00 58.87 59.75 3m49 n SER 257 Cb 0.14 -1.38 -0.01 0.00 -0.26 0.00 0.00 64.21 62.70 3m49 n SER 257 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3m49 n GLY 258 N 1.36 0.51 3.25 5.00 0.00 0.35 -4.99 105.19 110.66 3m49 n GLY 258 Ca 0.09 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.40 1.08 0.50 1.61 1.02 -0.75 -4.98 119.74 116.82 3m49 s LYS 259 Ca 0.00 -1.07 0.34 0.00 0.02 0.00 0.00 55.97 55.26 3m49 s LYS 259 Cb 0.00 -1.26 1.74 0.00 -0.52 0.00 0.00 37.83 37.79 3m49 s LYS 259 CO 0.00 0.30 2.03 0.66 -0.92 0.00 0.00 175.35 177.41 3m49 h SER 260 N 4.26 0.00 -0.40 2.83 4.64 -1.84 -2.24 113.55 120.81 3m49 h SER 260 Ca -0.44 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 60.99 3m49 h SER 260 Cb 1.18 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 3m49 h SER 260 CO 0.40 0.00 0.29 0.00 -0.87 0.00 0.00 176.83 176.66 3m49 h ALA 261 N 2.03 2.34 -0.01 5.18 0.00 -1.90 -1.07 119.26 125.84 3m49 h ALA 261 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3m49 h ALA 261 Cb 0.11 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3m49 h ALA 261 CO 0.00 -0.50 -0.26 -1.13 0.00 0.00 0.00 179.25 177.37 3m49 n SER 262 N -4.36 0.90 0.26 0.00 3.41 -0.84 -4.42 113.62 108.57 3m49 n SER 262 Ca 0.07 -0.78 -0.15 0.00 -0.26 0.00 0.00 58.87 57.75 3m49 n SER 262 Cb 0.48 0.11 -0.08 0.00 -0.26 0.00 0.00 64.21 64.47 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 1.01 -0.61 0.00 7.33 6.17 -1.33 0.82 115.15 128.53 3m49 h HIS 263 Ca 0.00 -0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.06 3m49 h HIS 263 Cb 0.49 0.20 -0.01 0.00 2.52 0.00 0.00 27.41 30.60 3m49 h HIS 263 CO 0.00 -0.29 -0.31 0.41 0.71 0.00 0.00 177.93 178.45 3m49 n GLY 264 N -0.68 2.55 3.13 5.26 0.00 -1.26 -3.77 105.19 110.41 3m49 n GLY 264 Ca -0.11 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 3m49 n GLY 264 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3m49 s SER 265 N -1.92 1.08 0.58 1.61 0.01 -1.10 -4.52 113.70 109.44 3m49 s SER 265 Ca 0.16 -0.82 -0.19 0.00 1.31 0.00 0.00 55.95 56.41 3m49 s SER 265 Cb 0.15 0.06 -0.05 0.00 0.21 0.00 0.00 66.02 66.39 3m49 s SER 265 CO 0.00 -0.34 1.05 -2.65 0.41 0.00 0.00 173.24 171.71 3m49 n PRO 266 N 0.58 1.08 -0.28 12.44 -0.02 -1.23 -4.29 135.00 143.27 3m49 n PRO 266 Ca -0.16 0.41 0.03 0.00 -2.02 0.00 0.00 63.50 61.75 3m49 n PRO 266 Cb 0.58 -2.24 0.17 0.00 -0.02 0.00 0.00 33.50 31.98 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 0.74 0.62 0.00 2.45 3.38 -1.92 -3.49 115.31 117.08 3m49 h LEU 267 Ca -0.49 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3m49 h LEU 267 Cb 1.35 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3m49 h LEU 267 CO 0.52 0.35 0.00 0.61 0.09 0.00 0.00 178.44 180.01 3m49 n GLY 268 N -1.32 2.50 0.23 0.83 0.00 -1.26 -4.56 105.19 101.62 3m49 n GLY 268 Ca 0.13 -1.91 -0.14 0.00 0.00 0.00 0.00 46.02 44.11 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 0.59 -0.51 1.61 2.07 -1.99 -1.66 116.25 116.36 3m49 h VAL 269 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 3m49 h VAL 269 Cb 0.00 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 3m49 h VAL 269 CO 0.00 0.00 0.15 -0.33 0.02 0.00 0.00 177.57 177.41 3m49 h GLU 270 N -0.45 0.80 -0.35 1.57 4.39 -2.01 -2.88 114.58 115.65 3m49 h GLU 270 Ca -0.01 -0.18 -0.08 0.00 0.34 0.00 0.00 59.36 59.43 3m49 h GLU 270 Cb 0.39 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 3m49 h GLU 270 CO -0.01 0.75 -0.11 1.49 -1.16 0.00 0.00 179.01 179.97 3m49 h GLU 271 N 0.70 0.61 -0.85 2.33 4.57 -1.79 -2.46 114.58 117.69 3m49 h GLU 271 Ca 0.16 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3m49 h GLU 271 Cb 0.29 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.78 3m49 h GLU 271 CO -0.00 0.70 0.54 1.15 -1.18 0.00 0.00 179.01 180.22 3m49 h THR 272 N 0.56 1.23 -0.08 0.32 2.02 -1.18 -0.19 112.91 115.59 3m49 h THR 272 Ca 0.10 -0.47 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 3m49 h THR 272 Cb 0.52 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.93 3m49 h THR 272 CO 0.03 0.23 0.04 0.11 0.37 0.00 0.00 175.52 176.30 3m49 h LYS 273 N 1.16 0.11 -1.00 6.66 1.57 -1.28 -0.52 116.57 123.28 3m49 h LYS 273 Ca 0.31 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 59.11 3m49 h LYS 273 Cb -0.08 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.15 3m49 h LYS 273 CO -0.06 0.18 0.66 -0.07 -0.57 0.00 0.00 179.45 179.58 3m49 h LEU 274 N 0.02 1.10 -0.04 2.94 3.38 -1.14 -0.06 115.31 121.51 3m49 h LEU 274 Ca 0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3m49 h LEU 274 Cb 0.10 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3m49 h LEU 274 CO -0.00 0.76 0.01 0.74 0.09 0.00 0.00 178.44 180.04 3m49 h THR 275 N 1.28 1.21 -0.45 0.22 2.02 -0.89 -1.18 112.91 115.13 3m49 h THR 275 Ca 0.39 -0.64 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 3m49 h THR 275 Cb -0.02 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 3m49 h THR 275 CO -0.12 0.17 0.21 0.11 0.37 0.00 0.00 175.52 176.27 3m49 h LYS 276 N -0.18 0.62 -0.82 6.66 1.57 -0.80 -0.05 116.57 123.57 3m49 h LYS 276 Ca 0.01 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3m49 h LYS 276 Cb 0.27 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 3m49 h LYS 276 CO 0.00 0.48 0.42 0.93 -0.57 0.00 0.00 179.45 180.71 3m49 h GLU 277 N 0.62 1.15 -0.53 3.15 5.08 -0.86 0.93 114.58 124.12 3m49 h GLU 277 Ca 0.16 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 3m49 h GLU 277 Cb 0.07 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 3m49 h GLU 277 CO -0.02 0.87 0.12 0.00 -1.00 0.00 0.00 179.01 178.97 3m49 h ALA 278 N 1.30 1.22 0.00 3.43 0.00 0.23 -2.34 119.26 123.11 3m49 h ALA 278 Ca 0.28 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3m49 h ALA 278 Cb 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3m49 h ALA 278 CO -0.04 0.54 0.00 0.66 0.00 0.00 0.00 179.25 180.41 3m49 n TYR 279 N -4.27 0.00 -3.13 0.00 0.53 -0.56 -4.86 117.16 104.86 3m49 n TYR 279 Ca 0.04 0.00 -0.22 0.00 -1.02 0.00 0.00 57.90 56.69 3m49 n TYR 279 Cb 0.23 -0.08 0.02 0.00 -1.03 0.00 0.00 39.34 38.48 3m49 n TYR 279 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3m49 n ALA 280 N -1.08 -1.00 -2.55 -0.72 0.00 -0.88 -4.94 120.51 109.34 3m49 n ALA 280 Ca 0.20 0.20 -0.43 0.00 0.00 0.00 0.00 53.44 53.41 3m49 n ALA 280 Cb 0.14 -3.36 -0.06 0.00 0.00 0.00 0.00 19.45 16.17 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 -3.06 3.04 -1.58 0.00 -0.11 0.30 -4.93 118.94 112.60 3m49 s TRP 281 Ca 0.33 0.22 0.14 0.00 1.22 0.00 0.00 56.10 58.02 3m49 s TRP 281 Cb -0.16 -3.52 0.21 0.00 -1.50 0.00 0.00 33.47 28.50 3m49 s TRP 281 CO 0.41 -0.89 1.08 0.25 -4.62 0.00 0.00 176.95 173.18 3m49 n THR 282 N 5.98 0.34 -1.68 5.86 -2.24 -1.26 -4.47 114.28 116.81 3m49 n THR 282 Ca 0.02 -0.67 -0.43 0.00 -2.27 0.00 0.00 64.05 60.69 3m49 n THR 282 Cb 0.48 1.03 -0.03 0.00 -2.10 0.00 0.00 70.33 69.70 3m49 n THR 282 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3m49 n ALA 283 N 0.80 1.88 0.51 6.98 0.00 -1.26 -4.87 120.51 124.56 3m49 n ALA 283 Ca 0.11 0.31 0.13 0.00 0.00 0.00 0.00 53.44 53.99 3m49 n ALA 283 Cb 0.40 -2.56 0.29 0.00 0.00 0.00 0.00 19.45 17.58 3m49 n ALA 283 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3m49 h GLU 284 N 8.54 0.00 -6.09 0.00 4.11 -2.03 -3.45 114.58 115.67 3m49 h GLU 284 Ca -0.47 0.00 -0.67 0.00 0.07 0.00 0.00 59.36 58.29 3m49 h GLU 284 Cb 1.23 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.33 3m49 h GLU 284 CO 0.94 0.00 -0.65 -0.65 0.07 0.00 0.00 179.01 178.73 3m49 s GLN 285 N -3.15 2.85 0.67 1.06 -0.21 -1.26 -5.10 119.66 114.52 3m49 s GLN 285 Ca 0.08 -0.53 -0.15 0.00 0.02 0.00 0.00 55.36 54.79 3m49 s GLN 285 Cb 0.11 -2.70 0.01 0.00 1.00 0.00 0.00 33.01 31.43 3m49 s GLN 285 CO 0.65 0.66 1.14 -0.51 -2.12 0.00 0.00 175.29 175.11 3m49 s ASP 286 N -1.17 4.87 -1.29 5.90 -0.00 -1.26 -3.64 116.67 120.07 3m49 s ASP 286 Ca 0.16 2.12 -0.06 0.00 -0.00 0.00 0.00 52.55 54.77 3m49 s ASP 286 Cb -0.11 -2.56 0.01 0.00 -0.00 0.00 0.00 42.92 40.25 3m49 s ASP 286 CO 0.06 -1.80 1.12 0.49 -0.00 0.00 0.00 175.17 175.03 3m49 n PHE 287 N -2.43 -2.64 -3.55 4.23 3.01 -1.26 -4.96 117.46 109.85 3m49 n PHE 287 Ca 0.11 0.98 -0.37 0.00 1.01 0.00 0.00 57.45 59.18 3m49 n PHE 287 Cb 0.51 -5.02 -0.06 0.00 -0.01 0.00 0.00 39.48 34.90 3m49 n PHE 287 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 3m49 s HIS 288 N -3.33 3.58 -0.06 1.38 2.46 -1.24 -5.07 115.29 113.01 3m49 s HIS 288 Ca 0.39 0.76 -0.01 0.00 0.47 0.00 0.00 55.06 56.68 3m49 s HIS 288 Cb -0.17 -2.28 0.03 0.00 -0.13 0.00 0.00 32.58 30.02 3m49 s HIS 288 CO 0.72 0.45 -0.02 0.08 -2.47 0.00 0.00 174.74 173.51 3m49 s VAL 289 N -0.30 0.44 0.44 0.89 1.01 -1.26 -4.88 120.40 116.74 3m49 s VAL 289 Ca 0.20 0.03 -0.23 0.00 0.00 0.00 0.00 61.98 61.97 3m49 s VAL 289 Cb -0.14 -0.55 -0.08 0.00 0.00 0.00 0.00 36.38 35.60 3m49 s VAL 289 CO 0.08 0.25 1.13 0.00 0.00 0.00 0.00 175.10 176.56 3m49 s ALA 290 N 1.60 3.02 0.45 5.51 0.00 -1.26 -4.92 121.76 126.16 3m49 s ALA 290 Ca -0.00 0.87 0.11 0.00 0.00 0.00 0.00 51.96 52.94 3m49 s ALA 290 Cb -0.13 -3.35 1.02 0.00 0.00 0.00 0.00 23.12 20.66 3m49 s ALA 290 CO -0.04 -0.53 2.08 1.49 0.00 0.00 0.00 175.76 178.76 3m49 h GLU 291 N 2.20 0.34 0.00 0.00 4.57 -2.00 -0.91 114.58 118.78 3m49 h GLU 291 Ca -0.49 -0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 57.62 3m49 h GLU 291 Cb 1.24 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.74 3m49 h GLU 291 CO 0.61 0.23 -0.22 1.05 -1.18 0.00 0.00 179.01 179.50 3m49 h GLU 292 N 0.35 0.00 -0.01 1.92 4.11 -1.99 -0.63 114.58 118.33 3m49 h GLU 292 Ca 0.12 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.55 3m49 h GLU 292 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3m49 h GLU 292 CO -0.03 0.22 -0.02 0.28 0.07 0.00 0.00 179.01 179.53 3m49 h VAL 293 N 0.00 1.45 -0.87 -1.06 2.07 -1.54 -1.89 116.25 114.40 3m49 h VAL 293 Ca -0.00 -1.36 0.13 0.00 0.82 0.00 0.00 66.70 66.28 3m49 h VAL 293 Cb 0.53 2.35 -0.09 0.00 -1.52 0.00 0.00 31.29 32.57 3m49 h VAL 293 CO 0.03 0.36 0.49 1.88 0.02 0.00 0.00 177.57 180.34 3m49 h TYR 294 N -0.53 0.87 -0.49 1.57 0.05 -1.23 -1.54 116.97 115.67 3m49 h TYR 294 Ca 0.00 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.76 3m49 h TYR 294 Cb 0.60 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 38.06 3m49 h TYR 294 CO 0.12 0.28 0.09 1.49 -1.05 0.00 0.00 178.16 179.09 3m49 h GLU 295 N 0.74 0.76 -0.25 4.88 4.57 -1.10 0.42 114.58 124.59 3m49 h GLU 295 Ca 0.45 -0.16 0.01 0.00 -1.18 0.00 0.00 59.36 58.48 3m49 h GLU 295 Cb 0.55 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.02 3m49 h GLU 295 CO -0.31 0.71 0.15 -0.97 -1.18 0.00 0.00 179.01 177.41 3m49 h ASN 296 N 0.73 0.25 -0.44 1.04 -0.00 -0.44 -0.82 115.58 115.90 3m49 h ASN 296 Ca 0.16 0.00 -0.11 0.00 -0.00 0.00 0.00 56.30 56.35 3m49 h ASN 296 Cb 0.32 -0.05 -0.02 0.00 -0.00 0.00 0.00 38.32 38.57 3m49 h ASN 296 CO 0.00 0.18 -0.13 -0.26 -0.00 0.00 0.00 177.43 177.23 3m49 h PHE 297 N 0.31 1.01 -0.31 0.67 0.04 -1.18 -1.53 116.94 115.96 3m49 h PHE 297 Ca 0.10 -0.21 0.03 0.00 2.80 0.00 0.00 57.97 60.69 3m49 h PHE 297 Cb -0.01 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 37.86 3m49 h PHE 297 CO -0.07 0.97 0.13 -0.09 -0.60 0.00 0.00 178.31 178.65 3m49 h ARG 298 N 0.81 0.27 -0.27 1.51 2.43 -0.57 0.17 114.38 118.74 3m49 h ARG 298 Ca 0.13 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.18 3m49 h ARG 298 Cb 0.66 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 3m49 h ARG 298 CO 0.05 0.18 -0.24 0.87 -1.51 0.00 0.00 179.97 179.31 3m49 h LYS 299 N 0.27 0.64 0.00 0.20 1.57 -1.11 -0.15 116.57 118.00 3m49 h LYS 299 Ca 0.14 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3m49 h LYS 299 Cb 0.09 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3m49 h LYS 299 CO -0.12 0.93 -0.75 1.79 -0.57 0.00 0.00 179.45 180.72 3m49 h THR 300 N 0.36 0.00 0.00 -0.16 1.35 -1.15 -3.32 112.91 110.00 3m49 h THR 300 Ca 0.05 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 3m49 h THR 300 Cb 0.80 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 3m49 h THR 300 CO 0.06 0.00 -0.07 0.52 -0.25 0.00 0.00 175.52 175.78 3m49 n VAL 301 N -2.56 1.25 -0.03 6.82 0.31 0.58 -4.62 118.33 120.08 3m49 n VAL 301 Ca 0.02 0.39 -0.11 0.00 -0.01 0.00 0.00 64.34 64.62 3m49 n VAL 301 Cb 0.51 -1.64 -0.06 0.00 -0.91 0.00 0.00 33.84 31.75 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 -0.07 0.20 -0.05 5.55 4.20 -1.12 0.41 115.11 124.23 3m49 h GLN 302 Ca 0.00 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 3m49 h GLN 302 Cb 0.07 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 3m49 h GLN 302 CO 0.00 0.30 -0.06 -0.44 -0.67 0.00 0.00 178.83 177.96 3m49 h ASP 303 N 0.05 0.14 -0.68 1.46 3.32 -1.20 -0.34 116.42 119.17 3m49 h ASP 303 Ca 0.04 -0.51 0.12 0.00 0.02 0.00 0.00 57.03 56.71 3m49 h ASP 303 Cb 0.18 -0.04 -0.09 0.00 0.22 0.00 0.00 39.33 39.60 3m49 h ASP 303 CO -0.00 0.62 0.25 0.58 -1.72 0.00 0.00 179.24 178.97 3m49 h VAL 304 N -0.33 0.69 -0.13 -1.35 2.07 -1.65 -1.02 116.25 114.53 3m49 h VAL 304 Ca 0.01 -0.14 -0.22 0.00 0.82 0.00 0.00 66.70 67.17 3m49 h VAL 304 Cb 0.58 0.25 0.01 0.00 -1.52 0.00 0.00 31.29 30.61 3m49 h VAL 304 CO 0.01 0.07 -0.79 1.23 0.02 0.00 0.00 177.57 178.11 3m49 h GLY 305 N 0.40 0.82 0.69 2.17 0.00 -0.78 -1.27 103.07 105.11 3m49 h GLY 305 Ca 0.36 -1.18 0.03 0.00 0.00 0.00 0.00 47.33 46.55 3m49 h GLY 305 CO -0.37 1.05 0.00 0.83 0.00 0.00 0.00 176.54 178.04 3m49 h GLU 306 N 0.50 0.06 -0.40 4.80 5.08 -0.85 -0.62 114.58 123.15 3m49 h GLU 306 Ca -0.06 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3m49 h GLU 306 Cb 1.42 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.63 3m49 h GLU 306 CO 0.16 0.04 0.27 1.15 -1.00 0.00 0.00 179.01 179.63 3m49 h THR 307 N 0.07 1.10 -0.61 1.13 2.02 -1.09 -1.55 112.91 113.98 3m49 h THR 307 Ca 0.09 -0.19 -0.05 0.00 0.77 0.00 0.00 66.41 67.04 3m49 h THR 307 Cb 0.12 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 3m49 h THR 307 CO -0.16 0.10 0.17 0.00 0.37 0.00 0.00 175.52 176.00 3m49 h ALA 308 N 1.15 0.80 -0.25 6.16 0.00 -1.06 -1.51 119.26 124.55 3m49 h ALA 308 Ca 0.15 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3m49 h ALA 308 Cb -0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3m49 h ALA 308 CO -0.04 0.49 -0.26 0.37 0.00 0.00 0.00 179.25 179.81 3m49 h GLN 309 N 0.87 0.49 -0.34 0.00 4.15 -0.94 -1.40 115.11 117.94 3m49 h GLN 309 Ca 0.19 -0.19 -0.08 0.00 0.77 0.00 0.00 58.65 59.34 3m49 h GLN 309 Cb 0.32 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 3m49 h GLN 309 CO -0.00 0.71 -0.11 0.00 -1.93 0.00 0.00 178.83 177.50 3m49 h ALA 310 N 1.29 0.47 -0.73 3.38 0.00 -1.03 0.27 119.26 122.91 3m49 h ALA 310 Ca 0.06 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3m49 h ALA 310 Cb 0.68 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3m49 h ALA 310 CO 0.05 0.34 0.38 0.93 0.00 0.00 0.00 179.25 180.95 3m49 h GLU 311 N 0.45 1.03 -0.56 0.00 5.08 -1.14 -1.45 114.58 118.00 3m49 h GLU 311 Ca 0.08 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3m49 h GLU 311 Cb 0.62 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 3m49 h GLU 311 CO 0.04 0.79 0.32 2.35 -1.00 0.00 0.00 179.01 181.51 3m49 h TRP 312 N 1.01 0.74 -0.68 4.33 7.01 -1.08 -2.75 115.95 124.53 3m49 h TRP 312 Ca 0.25 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.28 3m49 h TRP 312 Cb 0.07 -0.24 -0.04 0.00 -2.10 0.00 0.00 29.16 26.85 3m49 h TRP 312 CO 0.00 0.52 0.42 -0.91 -2.79 0.00 0.00 178.44 175.69 3m49 h ASN 313 N 0.75 0.68 0.00 2.65 2.35 -0.60 0.65 115.58 122.06 3m49 h ASN 313 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3m49 h ASN 313 Cb 0.01 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.24 3m49 h ASN 313 CO -0.04 0.47 0.00 0.41 -1.65 0.00 0.00 177.43 176.62 3m49 n THR 314 N -4.69 0.00 0.00 2.81 -1.04 -0.58 -1.80 114.28 108.98 3m49 n THR 314 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 3m49 n THR 314 Cb 0.10 -0.07 0.00 0.00 -1.82 0.00 0.00 70.33 68.54 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 0.51 0.00 -0.15 -4.42 7.94 0.22 -2.13 117.00 118.98 3m49 n LEU 316 Ca 0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.82 3m49 n LEU 316 Cb 0.01 0.00 0.01 0.00 0.53 0.00 0.00 43.42 43.97 3m49 n LEU 316 CO 0.00 0.00 1.06 1.23 -1.11 0.00 0.00 177.39 178.57 3m49 h GLY 317 N 0.00 0.63 0.87 -3.96 0.00 -1.62 -0.18 103.07 98.81 3m49 h GLY 317 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 3m49 h GLY 317 CO 0.00 0.23 0.05 -2.09 0.00 0.00 0.00 176.54 174.73 3m49 h GLU 318 N 0.60 0.17 -0.69 4.80 4.81 -1.71 -2.75 114.58 119.82 3m49 h GLU 318 Ca 0.16 -0.03 0.14 0.00 -0.13 0.00 0.00 59.36 59.50 3m49 h GLU 318 Cb -0.07 -0.03 -0.10 0.00 0.63 0.00 0.00 28.75 29.19 3m49 h GLU 318 CO -0.03 0.28 0.17 -0.92 -0.73 0.00 0.00 179.01 177.78 3m49 h TYR 319 N 0.03 0.27 -0.00 0.92 3.20 -1.81 -1.78 116.97 117.80 3m49 h TYR 319 Ca 0.04 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 3m49 h TYR 319 Cb 0.17 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 3m49 h TYR 319 CO -0.02 -0.05 -0.09 0.00 -1.64 0.00 0.00 178.16 176.37 3m49 h ALA 320 N 1.55 1.84 -0.21 1.82 0.00 -0.79 0.35 119.26 123.83 3m49 h ALA 320 Ca 0.38 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 55.06 3m49 h ALA 320 Cb 0.60 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3m49 h ALA 320 CO -0.46 0.12 -0.46 1.96 0.00 0.00 0.00 179.25 180.41 3m49 h GLN 321 N 0.01 0.52 0.10 0.00 4.20 -1.05 -2.40 115.11 116.50 3m49 h GLN 321 Ca 0.00 -0.29 -0.28 0.00 0.06 0.00 0.00 58.65 58.14 3m49 h GLN 321 Cb 0.16 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 3m49 h GLN 321 CO 0.01 0.88 -1.34 0.00 -0.67 0.00 0.00 178.83 177.71 3m49 h ALA 322 N 1.08 0.22 -2.06 3.87 0.00 -1.08 -3.41 119.26 117.88 3m49 h ALA 322 Ca 0.03 -1.00 -0.57 0.00 0.00 0.00 0.00 54.91 53.37 3m49 h ALA 322 Cb 0.97 0.11 -0.40 0.00 0.00 0.00 0.00 17.79 18.47 3m49 h ALA 322 CO 0.09 1.10 -0.96 0.66 0.00 0.00 0.00 179.25 180.13 3m49 n TYR 323 N -3.46 0.89 -0.23 0.00 4.02 0.11 -4.98 117.16 113.51 3m49 n TYR 323 Ca -0.11 -3.75 -0.08 0.00 -0.01 0.00 0.00 57.90 53.95 3m49 n TYR 323 Cb 1.02 -0.42 0.03 0.00 -0.02 0.00 0.00 39.34 39.96 3m49 n TYR 323 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3m49 h PRO 324 N 3.93 1.08 0.40 -0.72 0.13 -1.65 -0.45 132.00 134.72 3m49 h PRO 324 Ca 0.11 -0.29 -0.01 0.00 -0.87 0.00 0.00 66.00 64.94 3m49 h PRO 324 Cb 0.82 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 3m49 h PRO 324 CO 0.58 0.99 -0.29 1.49 -0.23 0.00 0.00 178.00 180.54 3m49 h GLU 325 N 0.99 -0.66 -0.40 0.86 4.81 -1.94 0.12 114.58 118.37 3m49 h GLU 325 Ca 0.20 0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.54 3m49 h GLU 325 Cb 0.44 0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.91 3m49 h GLU 325 CO 0.01 -0.44 0.04 -0.07 -0.73 0.00 0.00 179.01 177.82 3m49 h LEU 326 N -0.68 -0.08 -0.84 1.64 4.07 -1.95 -0.55 115.31 116.92 3m49 h LEU 326 Ca -0.04 0.08 -0.05 0.00 0.08 0.00 0.00 57.88 57.95 3m49 h LEU 326 Cb 0.58 0.13 -0.03 0.00 1.08 0.00 0.00 40.66 42.42 3m49 h LEU 326 CO 0.01 -0.01 0.27 0.00 -1.08 0.00 0.00 178.44 177.64 3m49 h ALA 327 N 1.33 1.07 -0.75 1.53 0.00 -0.89 0.68 119.26 122.23 3m49 h ALA 327 Ca 0.20 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3m49 h ALA 327 Cb 0.26 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3m49 h ALA 327 CO -0.29 0.65 0.27 -0.91 0.00 0.00 0.00 179.25 178.97 3m49 h ASN 328 N 1.09 1.04 -0.45 0.00 2.35 -0.39 -1.04 115.58 118.19 3m49 h ASN 328 Ca 0.25 -0.17 -0.04 0.00 -0.55 0.00 0.00 56.30 55.79 3m49 h ASN 328 Cb 0.25 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 3m49 h ASN 328 CO -0.02 0.95 0.14 -0.08 -1.65 0.00 0.00 177.43 176.77 3m49 h GLU 329 N 1.09 0.70 -0.34 0.81 4.81 -0.62 -1.73 114.58 119.30 3m49 h GLU 329 Ca 0.25 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3m49 h GLU 329 Cb 0.25 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 3m49 h GLU 329 CO -0.02 0.68 0.15 1.25 -0.73 0.00 0.00 179.01 180.35 3m49 h LEU 330 N 0.59 0.45 -0.57 1.64 5.85 -0.73 0.02 115.31 122.56 3m49 h LEU 330 Ca 0.15 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.75 3m49 h LEU 330 Cb 0.27 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 3m49 h LEU 330 CO -0.00 0.47 0.34 -0.61 -0.34 0.00 0.00 178.44 178.30 3m49 h GLN 331 N 0.41 0.66 -0.41 1.25 5.75 -1.05 -2.50 115.11 119.22 3m49 h GLN 331 Ca 0.12 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.55 3m49 h GLN 331 Cb 0.14 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 3m49 h GLN 331 CO -0.01 0.44 0.16 0.00 -2.65 0.00 0.00 178.83 176.76 3m49 h ALA 332 N 1.26 0.53 0.00 3.38 0.00 -1.11 -2.63 119.26 120.69 3m49 h ALA 332 Ca 0.23 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3m49 h ALA 332 Cb 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3m49 h ALA 332 CO -0.11 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.29 3m49 n ALA 333 N -2.31 1.80 0.00 0.00 0.00 -0.03 -1.31 120.51 118.66 3m49 n ALA 333 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3m49 n ALA 333 Cb 0.15 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 1.42 0.00 -0.88 0.00 3.02 -0.99 -3.48 115.26 114.36 3m49 n ASN 335 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.45 3m49 n ASN 335 Cb 0.08 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.22 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 0.90 3.77 7.41 0.00 -0.69 -4.99 105.19 111.58 3m49 n GLY 336 Ca 0.00 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.48 4.45 0.12 0.99 1.43 -0.43 -5.06 118.68 117.69 3m49 s LEU 337 Ca 0.00 1.26 -0.15 0.00 -1.03 0.00 0.00 54.13 54.21 3m49 s LEU 337 Cb 0.00 -3.00 -0.07 0.00 0.03 0.00 0.00 46.19 43.16 3m49 s LEU 337 CO 0.00 0.12 0.53 -0.76 0.23 0.00 0.00 176.35 176.46 3m49 s LEU 338 N -0.36 4.38 0.36 1.79 1.43 -1.26 -4.46 118.68 120.56 3m49 s LEU 338 Ca 0.32 1.07 -0.29 0.00 -1.03 0.00 0.00 54.13 54.21 3m49 s LEU 338 Cb -0.19 -3.12 -0.11 0.00 0.03 0.00 0.00 46.19 42.79 3m49 s LEU 338 CO 0.19 0.15 1.51 -2.65 0.23 0.00 0.00 176.35 175.79 3m49 n PRO 339 N 1.04 2.68 -1.67 1.29 -0.02 -1.26 -4.89 135.00 132.17 3m49 n PRO 339 Ca -0.07 0.94 -0.48 0.00 -2.02 0.00 0.00 63.50 61.87 3m49 n PRO 339 Cb 0.52 -2.69 -0.05 0.00 -0.02 0.00 0.00 33.50 31.26 3m49 n PRO 339 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3m49 n GLU 340 N 0.87 1.98 -0.98 -0.52 4.07 -1.26 -1.55 120.64 123.24 3m49 n GLU 340 Ca 0.03 0.72 0.00 0.00 -0.06 0.00 0.00 57.16 57.85 3m49 n GLU 340 Cb 0.38 -2.49 0.00 0.00 -0.06 0.00 0.00 31.44 29.27 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 3.66 0.65 0.34 8.31 0.00 -1.26 -4.91 105.19 111.97 3m49 n GLY 341 Ca 0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.35 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 0.16 0.00 1.61 5.08 -1.60 -1.59 115.95 119.60 3m49 h TRP 342 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3m49 h TRP 342 Cb 0.00 -0.05 0.00 0.00 -3.00 0.00 0.00 29.16 26.11 3m49 h TRP 342 CO 0.00 0.08 0.00 1.05 -1.28 0.00 0.00 178.44 178.29 3m49 h GLU 343 N 0.15 0.00 -0.15 0.12 9.09 -1.91 -3.01 114.58 118.87 3m49 h GLU 343 Ca 0.19 0.00 0.04 0.00 0.05 0.00 0.00 59.36 59.65 3m49 h GLU 343 Cb 0.56 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.66 3m49 h GLU 343 CO -0.03 0.00 0.19 1.96 0.05 0.00 0.00 179.01 181.18 3m49 h GLN 344 N 0.00 0.00 0.00 1.06 1.08 -1.70 -2.06 115.11 113.49 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 0.61 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 3m49 h GLN 344 CO 0.00 0.00 0.00 -1.71 -0.95 0.00 0.00 178.83 176.17 3m49 n ASN 345 N -3.72 0.00 -4.81 1.46 5.15 -1.14 -4.92 115.26 107.28 3m49 n ASN 345 Ca 0.01 0.50 -0.33 0.00 -0.60 0.00 0.00 54.58 54.16 3m49 n ASN 345 Cb 0.30 -0.50 -0.03 0.00 -0.53 0.00 0.00 39.78 39.02 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 -3.00 3.76 0.83 1.20 1.43 -0.78 -4.89 118.68 117.23 3m49 s LEU 346 Ca 0.11 1.82 -0.11 0.00 -1.03 0.00 0.00 54.13 54.92 3m49 s LEU 346 Cb 0.16 -4.54 0.09 0.00 0.03 0.00 0.00 46.19 41.92 3m49 s LEU 346 CO 0.43 -0.77 1.09 -2.16 0.23 0.00 0.00 176.35 175.17 3m49 s PRO 347 N -3.52 1.84 -0.02 1.29 0.04 -1.26 -5.09 135.00 128.29 3m49 s PRO 347 Ca 0.65 0.75 0.01 0.00 0.04 0.00 0.00 61.00 62.45 3m49 s PRO 347 Cb -0.14 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.53 3m49 s PRO 347 CO 0.24 -1.82 -0.04 0.99 0.04 0.00 0.00 177.00 176.41 3m49 s THR 348 N -3.06 0.45 -0.21 1.26 2.01 -1.26 -4.97 115.64 109.85 3m49 s THR 348 Ca 0.62 -0.15 -0.09 0.00 0.31 0.00 0.00 61.69 62.38 3m49 s THR 348 Cb -0.16 -0.44 -0.04 0.00 0.01 0.00 0.00 72.50 71.87 3m49 s THR 348 CO 0.55 0.17 0.11 -0.31 -0.69 0.00 0.00 174.62 174.45 3m49 s TYR 349 N 0.44 3.28 0.46 4.92 2.02 -1.26 -5.07 117.35 122.13 3m49 s TYR 349 Ca -0.05 0.11 -0.16 0.00 -0.37 0.00 0.00 57.07 56.60 3m49 s TYR 349 Cb -0.09 -2.18 -0.08 0.00 -0.40 0.00 0.00 41.96 39.21 3m49 s TYR 349 CO -0.00 0.09 0.91 -1.21 -1.57 0.00 0.00 175.55 173.76 3m49 s GLU 350 N 0.76 3.97 0.39 -0.62 0.41 -1.26 -4.89 118.70 117.46 3m49 s GLU 350 Ca 0.06 0.86 -0.25 0.00 -0.41 0.00 0.00 54.97 55.22 3m49 s GLU 350 Cb -0.13 -2.23 -0.11 0.00 -1.78 0.00 0.00 34.13 29.88 3m49 s GLU 350 CO 0.02 -0.14 1.09 1.28 -0.49 0.00 0.00 175.26 177.02 3m49 n LEU 351 N -1.23 2.84 0.00 1.80 4.77 -1.26 -2.11 117.00 121.81 3m49 n LEU 351 Ca 0.05 1.09 0.00 0.00 -0.03 0.00 0.00 56.01 57.12 3m49 n LEU 351 Cb 0.54 -1.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.24 3m49 n LEU 351 CO 0.44 -1.21 0.00 0.61 -1.33 0.00 0.00 177.39 175.91 3m49 n GLY 352 N 1.08 0.98 3.93 -0.72 0.00 -1.26 -5.05 105.19 104.15 3m49 n GLY 352 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.01 6.19 -0.03 1.61 1.04 -0.90 -4.96 113.70 113.65 3m49 s SER 353 Ca 0.00 0.06 0.05 0.00 0.48 0.00 0.00 55.95 56.54 3m49 s SER 353 Cb 0.00 -1.80 -0.01 0.00 0.10 0.00 0.00 66.02 64.31 3m49 s SER 353 CO 0.00 -0.02 -0.18 -0.54 0.98 0.00 0.00 173.24 173.48 3m49 s LYS 354 N -3.66 1.64 -0.21 4.02 1.02 -1.26 -1.59 119.74 119.70 3m49 s LYS 354 Ca 0.34 -0.65 -0.18 0.00 0.02 0.00 0.00 55.97 55.49 3m49 s LYS 354 Cb -0.10 -1.51 0.06 0.00 -0.52 0.00 0.00 37.83 35.76 3m49 s LYS 354 CO 0.28 0.34 0.55 0.00 -0.92 0.00 0.00 175.35 175.61 3m49 s ALA 355 N -0.25 -1.38 0.44 5.17 0.00 -0.41 -4.89 121.76 120.43 3m49 s ALA 355 Ca 0.03 1.62 -0.24 0.00 0.00 0.00 0.00 51.96 53.37 3m49 s ALA 355 Cb -0.09 -0.95 -0.08 0.00 0.00 0.00 0.00 23.12 22.01 3m49 s ALA 355 CO 0.00 -0.27 1.17 0.00 0.00 0.00 0.00 175.76 176.67 3m49 s ALA 356 N 0.47 3.05 -0.16 0.00 0.00 -1.26 -1.12 121.76 122.73 3m49 s ALA 356 Ca -0.01 0.96 0.29 0.00 0.00 0.00 0.00 51.96 53.20 3m49 s ALA 356 Cb -0.04 -3.39 1.13 0.00 0.00 0.00 0.00 23.12 20.82 3m49 s ALA 356 CO -0.02 -0.63 1.86 1.79 0.00 0.00 0.00 175.76 178.77 3m49 h THR 357 N 2.05 0.00 -0.19 0.00 1.35 -1.76 -0.81 112.91 113.55 3m49 h THR 357 Ca -0.49 -0.48 -0.06 0.00 -0.55 0.00 0.00 66.41 64.83 3m49 h THR 357 Cb 1.24 1.41 -0.01 0.00 -1.73 0.00 0.00 68.15 69.06 3m49 h THR 357 CO 0.61 0.00 -0.13 0.08 -0.25 0.00 0.00 175.52 175.83 3m49 h ARG 358 N 0.00 0.31 0.18 4.72 0.11 -1.77 -0.33 114.38 117.60 3m49 h ARG 358 Ca 0.00 -0.08 -0.30 0.00 0.10 0.00 0.00 59.98 59.70 3m49 h ARG 358 Cb 0.53 -0.04 0.02 0.00 1.11 0.00 0.00 29.97 31.59 3m49 h ARG 358 CO 0.00 0.44 -1.37 -0.91 0.10 0.00 0.00 179.97 178.23 3m49 h ASN 359 N 0.29 0.61 -0.49 0.08 2.35 -1.45 -1.03 115.58 115.94 3m49 h ASN 359 Ca 0.06 -0.66 -0.09 0.00 -0.55 0.00 0.00 56.30 55.05 3m49 h ASN 359 Cb 0.41 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 3m49 h ASN 359 CO 0.02 1.52 -0.04 0.77 -1.65 0.00 0.00 177.43 178.05 3m49 h SER 360 N 0.11 0.92 -0.48 5.81 4.64 -1.38 -0.13 113.55 123.04 3m49 h SER 360 Ca -0.20 -0.26 0.04 0.00 -0.47 0.00 0.00 61.79 60.90 3m49 h SER 360 Cb 2.06 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 63.87 3m49 h SER 360 CO 0.23 1.00 0.25 -1.28 -0.87 0.00 0.00 176.83 176.16 3m49 h SER 361 N 0.86 0.37 -0.71 4.97 0.87 -1.01 -0.85 113.55 118.05 3m49 h SER 361 Ca 0.15 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.69 3m49 h SER 361 Cb 0.56 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.44 3m49 h SER 361 CO 0.03 0.26 0.28 1.23 -0.53 0.00 0.00 176.83 178.10 3m49 h GLY 362 N 0.49 1.15 1.06 5.77 0.00 -0.86 0.13 103.07 110.81 3m49 h GLY 362 Ca 0.21 -0.62 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 3m49 h GLY 362 CO -0.14 0.58 0.45 0.00 0.00 0.00 0.00 176.54 177.44 3m49 h ALA 363 N 1.26 1.16 -0.17 3.60 0.00 -0.67 -2.05 119.26 122.39 3m49 h ALA 363 Ca 0.24 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3m49 h ALA 363 Cb 0.21 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3m49 h ALA 363 CO -0.02 0.66 -0.08 0.28 0.00 0.00 0.00 179.25 180.09 3m49 h VAL 364 N 1.22 1.31 -0.80 0.00 2.07 -0.57 -1.51 116.25 117.98 3m49 h VAL 364 Ca 0.30 -1.13 0.18 0.00 0.82 0.00 0.00 66.70 66.87 3m49 h VAL 364 Cb 0.06 1.70 -0.11 0.00 -1.52 0.00 0.00 31.29 31.42 3m49 h VAL 364 CO -0.04 0.34 0.26 0.40 0.02 0.00 0.00 177.57 178.54 3m49 h ILE 365 N 0.03 0.52 -0.09 4.57 2.04 -0.65 0.25 117.51 124.17 3m49 h ILE 365 Ca 0.04 -0.12 -0.14 0.00 1.00 0.00 0.00 64.86 65.64 3m49 h ILE 365 Cb 0.56 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 3m49 h ILE 365 CO 0.02 0.06 -0.58 0.78 0.00 0.00 0.00 178.15 178.44 3m49 h ASN 366 N 0.34 0.33 -0.52 1.72 2.35 -1.23 -1.26 115.58 117.31 3m49 h ASN 366 Ca 0.46 -0.18 -0.07 0.00 -0.55 0.00 0.00 56.30 55.97 3m49 h ASN 366 Cb 0.81 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 39.07 3m49 h ASN 366 CO -0.51 0.83 0.07 0.00 -1.65 0.00 0.00 177.43 176.18 3m49 h ALA 367 N 1.17 0.69 -0.70 -0.83 0.00 -0.18 -2.96 119.26 116.44 3m49 h ALA 367 Ca -0.00 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 3m49 h ALA 367 Cb 1.08 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 3m49 h ALA 367 CO 0.09 0.45 0.15 0.82 0.00 0.00 0.00 179.25 180.76 3m49 h ILE 368 N 0.75 1.26 -0.68 0.00 2.04 -0.43 -2.54 117.51 117.92 3m49 h ILE 368 Ca 0.16 -1.01 0.08 0.00 1.00 0.00 0.00 64.86 65.09 3m49 h ILE 368 Cb 0.42 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 3m49 h ILE 368 CO 0.01 0.38 0.45 0.00 0.00 0.00 0.00 178.15 178.99 3m49 h ALA 369 N 1.08 1.82 -0.10 1.87 0.00 -1.20 0.51 119.26 123.23 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 0.40 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3m49 h ALA 369 CO 0.01 0.06 -0.71 1.49 0.00 0.00 0.00 179.25 180.10 3m49 h GLU 370 N 0.62 0.47 0.00 0.00 4.81 -1.31 -3.38 114.58 115.79 3m49 h GLU 370 Ca 0.30 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3m49 h GLU 370 Cb 0.37 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.82 3m49 h GLU 370 CO -0.10 1.00 -0.69 -1.13 -0.73 0.00 0.00 179.01 177.36 3m49 n SER 371 N -3.87 0.85 -3.85 1.04 3.41 -0.71 -4.87 113.62 105.63 3m49 n SER 371 Ca -0.04 -0.62 -0.30 0.00 -0.26 0.00 0.00 58.87 57.64 3m49 n SER 371 Cb 0.69 1.09 -0.15 0.00 -0.26 0.00 0.00 64.21 65.58 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 -2.15 1.41 0.34 -3.33 1.01 0.17 -4.73 120.40 113.11 3m49 s VAL 372 Ca 0.03 -1.70 0.35 0.00 0.00 0.00 0.00 61.98 60.66 3m49 s VAL 372 Cb 0.08 -2.02 0.38 0.00 0.00 0.00 0.00 36.38 34.82 3m49 s VAL 372 CO 0.45 -0.59 2.11 -0.65 0.00 0.00 0.00 175.10 176.42 3m49 h PRO 373 N 7.92 0.00 -0.02 2.72 0.11 -1.84 -2.77 132.00 138.12 3m49 h PRO 373 Ca -0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.00 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 0.48 0.04 0.00 -1.13 -0.21 0.00 0.00 178.00 177.18 3m49 n SER 374 N -3.23 0.26 -4.75 -2.05 3.41 -1.26 -4.92 113.62 101.08 3m49 n SER 374 Ca -0.01 -1.34 -0.41 0.00 -0.26 0.00 0.00 58.87 56.85 3m49 n SER 374 Cb 0.23 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.13 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 -1.98 3.52 -0.29 7.33 5.99 -1.04 -0.76 117.98 130.75 3m49 s PHE 375 Ca 0.34 1.60 -0.11 0.00 0.00 0.00 0.00 56.93 58.77 3m49 s PHE 375 Cb 0.16 -3.34 0.12 0.00 0.00 0.00 0.00 43.02 39.97 3m49 s PHE 375 CO 0.27 -0.78 0.65 0.12 -0.00 0.00 0.00 175.22 175.48 3m49 s PHE 376 N -0.73 -1.29 -0.04 10.12 5.36 -0.52 -4.90 117.98 125.98 3m49 s PHE 376 Ca 0.47 2.28 -0.19 0.00 -0.96 0.00 0.00 56.93 58.54 3m49 s PHE 376 Cb -0.32 0.77 0.06 0.00 -0.34 0.00 0.00 43.02 43.19 3m49 s PHE 376 CO 0.39 -0.64 0.85 0.41 -1.46 0.00 0.00 175.22 174.77 3m49 n GLY 377 N 5.25 0.28 0.00 13.12 0.00 -1.13 -2.59 105.19 120.12 3m49 n GLY 377 Ca -0.13 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.61 1.21 3.09 -0.02 0.00 -1.09 -1.32 105.19 106.45 3m49 n GLY 378 Ca 0.04 -0.54 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 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 0.66 -1.30 1.61 0.15 -1.19 -0.72 113.70 114.91 3m49 s SER 379 Ca 0.00 -0.86 -0.13 0.00 0.70 0.00 0.00 55.95 55.66 3m49 s SER 379 Cb 0.00 0.13 0.13 0.00 -1.71 0.00 0.00 66.02 64.57 3m49 s SER 379 CO 0.00 -0.46 1.79 0.00 1.20 0.00 0.00 173.24 175.76 3m49 n ALA 380 N 0.51 4.64 -2.01 5.45 0.00 -0.71 -2.17 120.51 126.22 3m49 n ALA 380 Ca -0.16 -4.14 -0.21 0.00 0.00 0.00 0.00 53.44 48.93 3m49 n ALA 380 Cb 0.59 -3.21 -0.05 0.00 0.00 0.00 0.00 19.45 16.78 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 5.57 -5.66 -1.38 0.00 4.64 -1.15 -4.55 116.55 114.01 3m49 n ASP 381 Ca 0.43 0.24 0.01 0.00 -1.38 0.00 0.00 54.79 54.09 3m49 n ASP 381 Cb 0.40 -4.85 0.10 0.00 -1.04 0.00 0.00 41.12 35.73 3m49 n ASP 381 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 3m49 n LEU 382 N -2.70 2.25 -0.34 -2.67 4.77 -1.26 -4.88 117.00 112.17 3m49 n LEU 382 Ca -0.23 -3.22 -0.03 0.00 -0.03 0.00 0.00 56.01 52.50 3m49 n LEU 382 Cb 0.68 -0.19 0.09 0.00 -2.33 0.00 0.00 43.42 41.67 3m49 n LEU 382 CO 0.30 1.13 1.24 0.00 -1.33 0.00 0.00 177.39 178.73 3m49 h ALA 383 N 1.35 1.15 -0.59 -1.18 0.00 -1.89 0.31 119.26 118.42 3m49 h ALA 383 Ca -0.05 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3m49 h ALA 383 Cb 1.43 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 3m49 h ALA 383 CO 0.16 0.56 0.19 0.78 0.00 0.00 0.00 179.25 180.94 3m49 h GLY 384 N 1.23 0.98 1.32 0.00 0.00 -1.98 -1.05 103.07 103.57 3m49 h GLY 384 Ca 0.33 -0.58 -0.31 0.00 0.00 0.00 0.00 47.33 46.77 3m49 h GLY 384 CO -0.07 0.54 -1.47 1.76 0.00 0.00 0.00 176.54 177.30 3m49 h SER 385 N 0.84 0.53 1.42 0.19 0.02 -1.83 -3.30 113.55 111.42 3m49 h SER 385 Ca 0.19 -0.64 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3m49 h SER 385 Cb 0.28 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3m49 h SER 385 CO -0.01 1.52 0.00 0.78 -1.14 0.00 0.00 176.83 177.98 3m49 h ASN 386 N 0.09 0.00 -5.92 3.07 2.35 -0.39 -3.48 115.58 111.30 3m49 h ASN 386 Ca -0.23 0.00 -0.41 0.00 -0.55 0.00 0.00 56.30 55.12 3m49 h ASN 386 Cb 2.05 0.00 0.11 0.00 0.05 0.00 0.00 38.32 40.52 3m49 h ASN 386 CO 0.20 0.00 -0.71 0.29 -1.65 0.00 0.00 177.43 175.56 3m49 n LYS 387 N -2.57 -7.24 0.00 0.81 4.76 -0.41 -4.81 118.16 108.70 3m49 n LYS 387 Ca 0.04 0.78 0.12 0.00 -2.87 0.00 0.00 58.31 56.38 3m49 n LYS 387 Cb 0.41 -5.78 0.22 0.00 -1.84 0.00 0.00 35.03 28.04 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 -4.82 0.00 0.00 -0.18 -2.24 -1.17 -3.77 114.28 102.10 3m49 n THR 388 Ca -0.03 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3m49 n THR 388 Cb 0.57 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 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 -0.89 0.00 0.00 4.78 9.36 -1.26 -4.82 117.16 124.33 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 0.36 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.07 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 -1.64 2.98 3.02 -1.26 -4.78 115.26 113.57 3m49 n ASN 391 Ca 0.00 0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.64 3m49 n ASN 391 Cb 0.00 0.00 0.37 0.00 -0.61 0.00 0.00 39.78 39.54 3m49 n ASN 391 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3m49 n ASN 392 N -0.25 5.03 -4.45 6.41 3.02 -1.26 -4.96 115.26 118.80 3m49 n ASN 392 Ca 0.00 -2.63 -0.23 0.00 -0.03 0.00 0.00 54.58 51.70 3m49 n ASN 392 Cb 0.00 -0.61 -0.10 0.00 -0.61 0.00 0.00 39.78 38.46 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 -2.18 1.60 0.70 3.52 0.41 -1.26 -5.14 118.70 116.35 3m49 s GLU 393 Ca 0.52 -1.77 -0.02 0.00 -0.41 0.00 0.00 54.97 53.29 3m49 s GLU 393 Cb 0.36 -1.48 0.10 0.00 -1.78 0.00 0.00 34.13 31.33 3m49 s GLU 393 CO 0.21 0.20 0.98 0.15 -0.49 0.00 0.00 175.26 176.30 3m49 s LYS 394 N -3.61 1.85 0.09 1.61 1.02 -1.26 -4.87 119.74 114.58 3m49 s LYS 394 Ca 0.29 -0.87 -0.18 0.00 0.02 0.00 0.00 55.97 55.23 3m49 s LYS 394 Cb -0.01 -2.30 -0.07 0.00 -0.52 0.00 0.00 37.83 34.93 3m49 s LYS 394 CO 0.13 -1.34 0.56 -0.51 -0.92 0.00 0.00 175.35 173.27 3m49 s ASP 395 N -4.65 6.99 -0.49 2.83 1.01 -1.26 -1.61 116.67 119.48 3m49 s ASP 395 Ca 0.64 1.20 -0.28 0.00 0.71 0.00 0.00 52.55 54.82 3m49 s ASP 395 Cb -0.07 -2.34 0.01 0.00 1.01 0.00 0.00 42.92 41.53 3m49 s ASP 395 CO 0.44 0.22 1.43 0.12 0.21 0.00 0.00 175.17 177.59 3m49 s PHE 396 N -1.22 2.32 0.24 4.23 5.36 0.33 -3.95 117.98 125.29 3m49 s PHE 396 Ca 0.32 0.58 0.01 0.00 -0.96 0.00 0.00 56.93 56.87 3m49 s PHE 396 Cb -0.18 -4.35 -0.04 0.00 -0.34 0.00 0.00 43.02 38.11 3m49 s PHE 396 CO 0.19 -1.99 0.14 0.95 -1.46 0.00 0.00 175.22 173.05 3m49 s THR 397 N 5.86 0.15 0.59 0.12 -4.23 -0.92 -4.67 115.64 112.55 3m49 s THR 397 Ca 0.57 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.37 3m49 s THR 397 Cb -0.12 -2.53 0.36 0.00 1.34 0.00 0.00 72.50 71.55 3m49 s THR 397 CO 0.29 0.00 2.11 0.08 -0.54 0.00 0.00 174.62 176.56 3m49 h ARG 398 N 2.47 0.00 0.00 3.99 0.11 -1.82 -1.46 114.38 117.68 3m49 h ARG 398 Ca -0.35 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.73 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 0.53 0.00 -0.86 -0.25 0.10 0.00 0.00 179.97 179.49 3m49 n ASP 399 N -3.78 0.72 -3.24 0.08 8.00 -1.26 -4.75 116.55 112.32 3m49 n ASP 399 Ca 0.01 -0.55 -0.03 0.00 0.71 0.00 0.00 54.79 54.93 3m49 n ASP 399 Cb 0.30 0.73 -0.03 0.00 -0.02 0.00 0.00 41.12 42.10 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 -3.23 -0.85 0.00 -2.24 2.15 -0.56 -5.00 116.67 106.94 3m49 s ASP 400 Ca 0.08 -0.74 0.22 0.00 0.43 0.00 0.00 52.55 52.53 3m49 s ASP 400 Cb 0.16 1.63 1.08 0.00 -0.30 0.00 0.00 42.92 45.48 3m49 s ASP 400 CO 0.80 -0.23 1.70 -1.22 -0.17 0.00 0.00 175.17 176.06 3m49 n TYR 401 N 4.64 0.00 0.49 -5.34 4.01 -1.18 -2.16 117.16 117.61 3m49 n TYR 401 Ca 0.09 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.96 3m49 n TYR 401 Cb 0.53 -0.32 0.34 0.00 -0.31 0.00 0.00 39.34 39.59 3m49 n TYR 401 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3m49 h SER 402 N 0.00 0.00 -3.93 7.72 4.64 -1.85 -3.36 113.55 116.77 3m49 h SER 402 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 3m49 h SER 402 Cb 0.23 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 62.44 3m49 h SER 402 CO 0.00 0.00 0.76 0.61 -0.87 0.00 0.00 176.83 177.33 3m49 n GLY 403 N 1.19 1.16 0.05 -0.77 0.00 -1.08 -4.90 105.19 100.83 3m49 n GLY 403 Ca 0.05 0.28 0.11 0.00 0.00 0.00 0.00 46.02 46.46 3m49 n GLY 403 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3m49 n LYS 404 N 0.29 0.55 -2.99 1.61 5.02 -0.63 -3.63 118.16 118.39 3m49 n LYS 404 Ca 0.02 -0.04 -0.42 0.00 -2.02 0.00 0.00 58.31 55.85 3m49 n LYS 404 Cb 0.39 -1.65 -0.05 0.00 -0.02 0.00 0.00 35.03 33.70 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 -4.69 6.52 -0.14 4.39 0.01 -0.68 -2.82 114.94 117.53 3m49 s ASN 405 Ca -0.03 0.30 -0.14 0.00 -0.71 0.00 0.00 52.86 52.28 3m49 s ASN 405 Cb 0.12 -2.38 -0.05 0.00 0.41 0.00 0.00 41.25 39.36 3m49 s ASN 405 CO 0.84 -0.71 0.32 -0.63 -1.51 0.00 0.00 177.10 175.41 3m49 s ILE 406 N 3.03 5.28 -0.61 0.60 1.01 -0.44 -0.51 121.20 129.56 3m49 s ILE 406 Ca 0.30 0.61 -0.13 0.00 0.00 0.00 0.00 60.65 61.43 3m49 s ILE 406 Cb -0.13 -3.66 0.15 0.00 0.01 0.00 0.00 42.46 38.83 3m49 s ILE 406 CO 0.17 0.40 0.53 0.26 0.00 0.00 0.00 174.94 176.30 3m49 s TRP 407 N 0.37 3.45 -0.33 3.97 0.52 -1.26 -3.16 118.94 122.49 3m49 s TRP 407 Ca 0.18 -1.72 0.27 0.00 0.02 0.00 0.00 56.10 54.85 3m49 s TRP 407 Cb -0.13 -3.69 0.93 0.00 -1.15 0.00 0.00 33.47 29.42 3m49 s TRP 407 CO 0.05 -0.99 1.79 1.88 0.02 0.00 0.00 176.95 179.70 3m49 h TYR 408 N 8.35 0.00 -0.84 -1.98 0.05 -1.83 -3.49 116.97 117.23 3m49 h TYR 408 Ca -0.15 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.64 3m49 h TYR 408 Cb 1.07 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.81 3m49 h TYR 408 CO 0.79 0.00 -0.01 0.41 -1.05 0.00 0.00 178.16 178.31 3m49 n GLY 409 N 0.52 -1.63 3.02 3.88 0.00 -1.26 -4.29 105.19 105.43 3m49 n GLY 409 Ca 0.03 -1.25 -0.43 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.87 4.18 -3.02 1.61 0.31 -1.26 -2.93 118.33 116.35 3m49 n VAL 410 Ca 0.00 -4.26 -0.16 0.00 -0.01 0.00 0.00 64.34 59.91 3m49 n VAL 410 Cb 0.01 -2.42 -0.00 0.00 -0.91 0.00 0.00 33.84 30.52 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 4.86 0.87 -0.08 5.55 1.74 -1.26 -5.01 116.66 123.33 3m49 n ARG 411 Ca 0.41 -2.76 -0.09 0.00 -0.77 0.00 0.00 57.85 54.64 3m49 n ARG 411 Cb 0.39 -1.39 -0.02 0.00 -1.02 0.00 0.00 32.46 30.42 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 3.48 0.37 -0.13 5.56 3.07 -1.91 -3.07 114.58 121.95 3m49 h GLU 412 Ca 0.01 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3m49 h GLU 412 Cb 0.98 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.80 3m49 h GLU 412 CO 0.39 0.28 0.06 0.35 -1.40 0.00 0.00 179.01 178.69 3m49 h PHE 413 N 0.35 0.18 0.00 4.33 3.04 -1.93 -0.79 116.94 122.13 3m49 h PHE 413 Ca 0.10 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.04 3m49 h PHE 413 Cb 0.00 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.46 3m49 h PHE 413 CO -0.05 0.22 0.00 0.00 -2.02 0.00 0.00 178.31 176.46 3m49 n ALA 414 N -2.18 1.68 0.00 2.41 0.00 -1.16 -1.22 120.51 120.04 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 0.08 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 1.38 0.00 0.22 0.00 0.00 -0.30 -0.12 105.19 106.37 3m49 n GLY 416 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.71 0.00 4.61 0.00 -1.44 -2.58 119.26 120.57 3m49 h ALA 417 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3m49 h ALA 417 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3m49 h ALA 417 CO 0.00 0.68 0.00 0.00 0.00 0.00 0.00 179.25 179.93 3m49 n ALA 418 N -2.52 1.75 0.00 0.00 0.00 0.82 -1.85 120.51 118.71 3m49 n ALA 418 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3m49 n ALA 418 Cb 0.58 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 1.03 0.00 -0.29 0.00 3.02 -0.97 -0.68 115.26 117.37 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 0.10 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.34 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 1.19 0.97 7.41 0.00 -1.50 0.12 103.07 111.26 3m49 h GLY 421 Ca 0.00 -0.56 0.01 0.00 0.00 0.00 0.00 47.33 46.78 3m49 h GLY 421 CO 0.00 0.53 0.16 -2.22 0.00 0.00 0.00 176.54 175.02 3m49 h ILE 422 N 1.10 1.05 -0.48 2.60 2.04 -0.94 -0.96 117.51 121.91 3m49 h ILE 422 Ca 0.28 -0.12 -0.08 0.00 1.00 0.00 0.00 64.86 65.94 3m49 h ILE 422 Cb 0.06 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 3m49 h ILE 422 CO -0.04 0.06 -0.04 0.00 0.00 0.00 0.00 178.15 178.13 3m49 h ALA 423 N 1.11 1.04 -0.63 1.87 0.00 -1.73 -2.91 119.26 118.00 3m49 h ALA 423 Ca 0.10 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 3m49 h ALA 423 Cb -0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3m49 h ALA 423 CO -0.04 0.59 0.16 -0.07 0.00 0.00 0.00 179.25 179.90 3m49 h LEU 424 N 0.76 0.94 -0.67 0.00 3.38 -0.50 -2.96 115.31 116.26 3m49 h LEU 424 Ca 0.14 -0.23 0.09 0.00 0.09 0.00 0.00 57.88 57.97 3m49 h LEU 424 Cb 0.51 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.94 3m49 h LEU 424 CO 0.03 0.92 0.32 -0.74 0.09 0.00 0.00 178.44 179.06 3m49 h HIS 425 N 0.92 0.57 0.00 1.13 2.76 -0.98 -3.49 115.15 116.06 3m49 h HIS 425 Ca 0.20 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.40 3m49 h HIS 425 Cb 0.34 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.15 3m49 h HIS 425 CO 0.02 0.20 0.00 0.41 -1.30 0.00 0.00 177.93 177.27 3m49 n GLY 426 N -1.30 0.72 0.00 5.26 0.00 -1.12 -5.02 105.19 103.74 3m49 n GLY 426 Ca 0.10 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 0.94 0.26 2.89 -0.02 0.00 -1.23 -5.02 105.19 103.02 3m49 n GLY 427 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 2.04 -0.24 0.99 1.43 -1.26 -4.77 118.68 116.87 3m49 s LEU 428 Ca 0.00 -0.08 -0.09 0.00 -1.03 0.00 0.00 54.13 52.93 3m49 s LEU 428 Cb 0.00 0.01 -0.04 0.00 0.03 0.00 0.00 46.19 46.19 3m49 s LEU 428 CO 0.00 -0.05 0.12 -0.54 0.23 0.00 0.00 176.35 176.12 3m49 s LYS 429 N -0.23 3.91 0.15 1.70 -0.14 0.06 -4.77 119.74 120.43 3m49 s LYS 429 Ca -0.02 -0.35 0.08 0.00 -1.36 0.00 0.00 55.97 54.31 3m49 s LYS 429 Cb -0.02 -3.44 -0.04 0.00 -1.68 0.00 0.00 37.83 32.65 3m49 s LYS 429 CO -0.00 -0.01 -0.18 -0.08 -0.76 0.00 0.00 175.35 174.32 3m49 s THR 430 N 1.21 1.71 0.09 2.17 -1.32 -1.26 -1.44 115.64 116.80 3m49 s THR 430 Ca 0.06 -1.83 -0.08 0.00 -1.21 0.00 0.00 61.69 58.63 3m49 s THR 430 Cb -0.14 -1.75 -0.01 0.00 -1.51 0.00 0.00 72.50 69.09 3m49 s THR 430 CO 0.05 -0.30 0.16 -0.72 -2.21 0.00 0.00 174.62 171.60 3m49 s TYR 431 N -1.96 0.23 -0.08 9.09 1.13 -1.07 -2.24 117.35 122.44 3m49 s TYR 431 Ca 0.13 -0.67 -0.10 0.00 -1.41 0.00 0.00 57.07 55.02 3m49 s TYR 431 Cb -0.06 -0.11 0.02 0.00 -1.10 0.00 0.00 41.96 40.71 3m49 s TYR 431 CO 0.06 -0.53 0.28 0.20 -2.51 0.00 0.00 175.55 173.04 3m49 s GLY 432 N -2.88 -0.18 0.09 5.49 0.00 -0.62 -2.65 107.32 106.56 3m49 s GLY 432 Ca 0.06 0.64 0.08 0.00 0.00 0.00 0.00 44.72 45.51 3m49 s GLY 432 CO -0.10 0.51 -0.18 -0.32 0.00 0.00 0.00 173.10 173.02 3m49 s GLY 433 N -0.22 1.65 0.34 0.20 0.00 0.10 -0.72 107.32 108.66 3m49 s GLY 433 Ca -0.03 -1.29 -0.17 0.00 0.00 0.00 0.00 44.72 43.22 3m49 s GLY 433 CO 0.01 -1.24 0.74 -1.08 0.00 0.00 0.00 173.10 171.53 3m49 s THR 434 N -1.07 0.00 0.41 0.90 -1.32 -0.84 -1.74 115.64 111.99 3m49 s THR 434 Ca 0.17 -1.04 -0.26 0.00 -1.21 0.00 0.00 61.69 59.34 3m49 s THR 434 Cb -0.11 -2.50 -0.09 0.00 -1.51 0.00 0.00 72.50 68.29 3m49 s THR 434 CO 0.08 0.00 1.40 -0.36 -2.21 0.00 0.00 174.62 173.53 3m49 s PHE 435 N -3.04 2.63 0.38 9.09 0.08 -1.26 -2.53 117.98 123.33 3m49 s PHE 435 Ca 0.15 1.29 0.06 0.00 0.12 0.00 0.00 56.93 58.55 3m49 s PHE 435 Cb -0.05 -3.86 0.78 0.00 -0.57 0.00 0.00 43.02 39.32 3m49 s PHE 435 CO 0.10 -2.63 1.99 0.35 -0.10 0.00 0.00 175.22 174.92 3m49 h PHE 436 N 2.67 0.69 -0.16 0.36 3.57 -1.21 -0.43 116.94 122.43 3m49 h PHE 436 Ca -0.50 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.06 3m49 h PHE 436 Cb 1.25 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 3m49 h PHE 436 CO 0.52 0.38 0.11 -0.24 -2.23 0.00 0.00 178.31 176.86 3m49 h VAL 437 N 0.70 0.93 -0.44 1.41 3.04 -1.82 -1.11 116.25 118.96 3m49 h VAL 437 Ca 0.27 -0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.95 3m49 h VAL 437 Cb 0.18 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 30.38 3m49 h VAL 437 CO -0.08 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 176.97 3m49 n PHE 438 N -4.49 0.58 -0.07 3.17 3.72 -0.18 -3.70 117.46 116.48 3m49 n PHE 438 Ca 0.01 -0.29 0.24 0.00 -0.05 0.00 0.00 57.45 57.35 3m49 n PHE 438 Cb 0.23 0.00 0.70 0.00 -0.94 0.00 0.00 39.48 39.48 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 3.03 0.00 -0.51 4.37 4.64 -1.13 -1.24 113.55 122.71 3m49 h SER 439 Ca 0.00 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.41 3m49 h SER 439 Cb 0.69 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.75 3m49 h SER 439 CO 0.00 0.00 0.35 0.44 -0.87 0.00 0.00 176.83 176.75 3m49 h ASP 440 N 0.00 0.27 0.87 4.97 3.32 -1.78 -1.92 116.42 122.16 3m49 h ASP 440 Ca 0.32 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.32 3m49 h ASP 440 Cb 1.30 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 3m49 h ASP 440 CO -0.00 0.17 -0.29 1.88 -1.72 0.00 0.00 179.24 179.28 3m49 h TYR 441 N 0.31 0.00 -0.25 4.55 -1.99 -1.52 -3.00 116.97 115.07 3m49 h TYR 441 Ca 0.23 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.96 3m49 h TYR 441 Cb 0.52 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.25 3m49 h TYR 441 CO -0.00 0.29 0.00 1.47 -0.00 0.00 0.00 178.16 179.92 3m49 n LEU 442 N -3.47 3.63 -0.32 3.88 -0.00 -0.76 -3.82 117.00 116.14 3m49 n LEU 442 Ca -0.00 -2.86 0.05 0.00 -0.00 0.00 0.00 56.01 53.20 3m49 n LEU 442 Cb 0.46 -0.49 0.20 0.00 -0.00 0.00 0.00 43.42 43.60 3m49 n LEU 442 CO 0.35 0.68 1.17 -0.09 -0.00 0.00 0.00 177.39 179.50 3m49 h ARG 443 N 1.70 0.82 0.00 1.47 2.43 -1.31 -1.17 114.38 118.31 3m49 h ARG 443 Ca 0.00 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.08 3m49 h ARG 443 Cb 1.30 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.66 3m49 h ARG 443 CO 0.17 0.54 -0.20 -1.35 -1.51 0.00 0.00 179.97 177.63 3m49 h PRO 444 N 0.84 0.00 0.06 0.20 0.11 -1.86 -1.47 132.00 129.89 3m49 h PRO 444 Ca 0.45 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 66.31 3m49 h PRO 444 Cb 0.46 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 3m49 h PRO 444 CO -0.27 0.20 -1.07 0.00 -0.21 0.00 0.00 178.00 176.64 3m49 h ALA 445 N 1.80 0.27 -0.93 -0.75 0.00 -1.59 -2.57 119.26 115.48 3m49 h ALA 445 Ca -0.00 -0.80 0.02 0.00 0.00 0.00 0.00 54.91 54.13 3m49 h ALA 445 Cb 0.52 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 3m49 h ALA 445 CO 0.03 0.93 0.61 0.82 0.00 0.00 0.00 179.25 181.63 3m49 h ILE 446 N 0.12 1.20 -0.81 0.00 2.04 -0.85 -0.72 117.51 118.49 3m49 h ILE 446 Ca -0.10 -0.42 -0.04 0.00 1.00 0.00 0.00 64.86 65.31 3m49 h ILE 446 Cb 1.76 -0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 3m49 h ILE 446 CO 0.18 0.22 0.37 -0.09 0.00 0.00 0.00 178.15 178.82 3m49 h ARG 447 N 1.21 1.19 -0.07 2.37 2.43 -1.19 -0.68 114.38 119.64 3m49 h ARG 447 Ca 0.36 -0.19 -0.13 0.00 -0.81 0.00 0.00 59.98 59.20 3m49 h ARG 447 Cb -0.07 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.26 3m49 h ARG 447 CO -0.10 0.93 -0.54 -0.07 -1.51 0.00 0.00 179.97 178.69 3m49 h LEU 448 N 1.17 0.23 -0.71 3.80 3.38 -1.04 -1.09 115.31 121.04 3m49 h LEU 448 Ca 0.28 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3m49 h LEU 448 Cb 0.16 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3m49 h LEU 448 CO -0.03 0.72 0.36 0.00 0.09 0.00 0.00 178.44 179.58 3m49 h ALA 449 N 1.28 0.92 -0.44 1.53 0.00 -0.52 -2.98 119.26 119.06 3m49 h ALA 449 Ca 0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3m49 h ALA 449 Cb 1.00 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3m49 h ALA 449 CO 0.08 0.47 0.01 0.00 0.00 0.00 0.00 179.25 179.81 3m49 h ALA 450 N 1.18 0.59 0.00 0.00 0.00 -0.95 0.73 119.26 120.80 3m49 h ALA 450 Ca 0.25 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3m49 h ALA 450 Cb 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3m49 h ALA 450 CO -0.03 0.36 0.00 -0.11 0.00 0.00 0.00 179.25 179.47 3m49 n LEU 451 N -4.41 0.82 -2.47 0.00 7.94 -0.43 -4.72 117.00 113.72 3m49 n LEU 451 Ca -0.00 -0.41 -0.03 0.00 -1.11 0.00 0.00 56.01 54.46 3m49 n LEU 451 Cb 0.29 -0.20 0.02 0.00 0.53 0.00 0.00 43.42 44.06 3m49 n LEU 451 CO 0.41 0.15 0.55 0.00 -1.11 0.00 0.00 177.39 177.39 3m49 n GLN 453 N 0.56 0.43 -3.62 1.96 6.02 0.08 -5.06 117.38 117.74 3m49 n GLN 453 Ca 0.00 -0.82 -0.36 0.00 -0.01 0.00 0.00 57.00 55.81 3m49 n GLN 453 Cb 0.15 0.03 -0.08 0.00 1.02 0.00 0.00 30.24 31.36 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 -2.16 4.18 -1.50 1.08 1.43 -0.20 -4.04 118.68 117.47 3m49 s LEU 454 Ca 0.06 0.28 -0.09 0.00 -1.03 0.00 0.00 54.13 53.36 3m49 s LEU 454 Cb 0.14 -2.21 -0.00 0.00 0.03 0.00 0.00 46.19 44.15 3m49 s LEU 454 CO -0.03 0.09 2.66 -0.81 0.23 0.00 0.00 176.35 178.49 3m49 n PRO 455 N 3.91 3.88 -2.52 1.29 -0.04 -1.26 -1.83 135.00 138.42 3m49 n PRO 455 Ca -0.14 -2.68 -0.27 0.00 -0.04 0.00 0.00 63.50 60.37 3m49 n PRO 455 Cb 0.52 -2.81 0.01 0.00 -0.04 0.00 0.00 33.50 31.18 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 1.21 4.53 -0.11 0.52 -7.23 -1.26 -4.69 120.40 113.36 3m49 s VAL 456 Ca 0.61 0.18 0.01 0.00 -1.81 0.00 0.00 61.98 60.98 3m49 s VAL 456 Cb 0.17 -3.74 0.02 0.00 0.56 0.00 0.00 36.38 33.39 3m49 s VAL 456 CO -0.07 -0.76 -0.13 -0.89 -0.31 0.00 0.00 175.10 172.94 3m49 s THR 457 N -2.84 1.37 -0.16 5.32 2.01 -0.95 -1.08 115.64 119.30 3m49 s THR 457 Ca 0.50 -0.55 -0.13 0.00 0.31 0.00 0.00 61.69 61.81 3m49 s THR 457 Cb -0.10 -1.27 -0.05 0.00 0.01 0.00 0.00 72.50 71.09 3m49 s THR 457 CO 0.45 0.42 0.26 -0.31 -0.69 0.00 0.00 174.62 174.75 3m49 s TYR 458 N 1.11 3.46 -0.59 4.92 2.02 -0.18 -1.59 117.35 126.50 3m49 s TYR 458 Ca -0.05 0.55 -0.12 0.00 -0.37 0.00 0.00 57.07 57.09 3m49 s TYR 458 Cb -0.14 -2.29 0.15 0.00 -0.40 0.00 0.00 41.96 39.27 3m49 s TYR 458 CO -0.03 0.27 0.51 0.08 -1.57 0.00 0.00 175.55 174.81 3m49 s VAL 459 N 0.37 4.82 -0.44 0.71 1.01 0.10 -0.61 120.40 126.37 3m49 s VAL 459 Ca 0.15 -1.97 -0.09 0.00 0.00 0.00 0.00 61.98 60.06 3m49 s VAL 459 Cb -0.13 -4.09 0.10 0.00 0.00 0.00 0.00 36.38 32.26 3m49 s VAL 459 CO 0.03 -0.88 0.30 -0.36 0.00 0.00 0.00 175.10 174.20 3m49 s PHE 460 N 1.02 3.37 0.58 5.22 0.08 -0.26 -1.98 117.98 126.00 3m49 s PHE 460 Ca 0.09 -1.65 0.09 0.00 0.12 0.00 0.00 56.93 55.58 3m49 s PHE 460 Cb -0.23 -3.20 0.10 0.00 -0.57 0.00 0.00 43.02 39.11 3m49 s PHE 460 CO -0.02 -0.91 0.80 0.25 -0.10 0.00 0.00 175.22 175.24 3m49 n THR 461 N 4.93 0.00 -3.45 0.64 -2.24 -1.05 -0.60 114.28 112.52 3m49 n THR 461 Ca -0.09 -1.85 -0.18 0.00 -2.27 0.00 0.00 64.05 59.66 3m49 n THR 461 Cb 0.42 -0.56 0.07 0.00 -2.10 0.00 0.00 70.33 68.15 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 -2.28 -2.20 1.25 4.78 8.25 -0.50 -0.87 115.22 123.65 3m49 n HIS 462 Ca 0.16 0.86 0.12 0.00 -0.26 0.00 0.00 57.72 58.60 3m49 n HIS 462 Cb 0.58 -4.52 0.65 0.00 1.12 0.00 0.00 29.99 27.82 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 -3.11 0.00 -1.87 0.41 5.75 -0.90 -4.42 116.55 112.41 3m49 n ASP 463 Ca -0.21 -0.21 -0.05 0.00 -0.01 0.00 0.00 54.79 54.31 3m49 n ASP 463 Cb 0.65 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 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 -1.23 -0.89 0.31 -1.12 3.41 -1.26 -4.50 113.62 108.35 3m49 n SER 464 Ca 0.13 -1.80 0.18 0.00 -0.26 0.00 0.00 58.87 57.13 3m49 n SER 464 Cb 0.18 1.53 0.98 0.00 -0.26 0.00 0.00 64.21 66.64 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 1.46 0.00 -0.07 -1.33 3.07 -1.89 -1.62 117.51 117.13 3m49 h ILE 465 Ca -0.14 0.00 0.02 0.00 1.55 0.00 0.00 64.86 66.29 3m49 h ILE 465 Cb 0.56 0.79 -0.00 0.00 -0.27 0.00 0.00 36.82 37.91 3m49 h ILE 465 CO 0.19 0.00 0.20 0.00 -1.05 0.00 0.00 178.15 177.49 3m49 h ALA 466 N 1.71 1.41 -0.95 0.16 0.00 -1.95 -1.30 119.26 118.34 3m49 h ALA 466 Ca 0.00 -0.00 0.20 0.00 0.00 0.00 0.00 54.91 55.10 3m49 h ALA 466 Cb 0.28 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.97 3m49 h ALA 466 CO 0.00 -0.24 0.54 0.28 0.00 0.00 0.00 179.25 179.83 3m49 h VAL 467 N 0.00 0.64 0.00 0.00 2.07 -1.62 -3.37 116.25 113.97 3m49 h VAL 467 Ca 0.03 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.33 3m49 h VAL 467 Cb 0.43 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 3m49 h VAL 467 CO -0.00 0.12 0.00 0.61 0.02 0.00 0.00 177.57 178.32 3m49 n GLY 468 N -1.32 1.45 0.25 2.17 0.00 -0.49 -4.44 105.19 102.80 3m49 n GLY 468 Ca 0.23 -0.49 0.04 0.00 0.00 0.00 0.00 46.02 45.80 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 0.17 0.00 1.61 3.07 -1.54 -2.13 114.58 115.76 3m49 h GLU 469 Ca 0.00 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3m49 h GLU 469 Cb 0.00 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 27.88 3m49 h GLU 469 CO 0.00 0.26 -0.00 -0.44 -1.40 0.00 0.00 179.01 177.43 3m49 h ASP 470 N 0.17 0.00 -4.38 1.42 3.32 -1.87 -3.40 116.42 111.69 3m49 h ASP 470 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3m49 h ASP 470 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3m49 h ASP 470 CO 0.01 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.15 3m49 n GLY 471 N -0.78 -2.17 0.23 2.75 0.00 -0.82 -4.47 105.19 99.94 3m49 n GLY 471 Ca -0.02 -1.69 0.08 0.00 0.00 0.00 0.00 46.02 44.40 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 0.00 0.00 1.61 0.13 -1.80 -1.10 132.00 130.84 3m49 h PRO 472 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3m49 h PRO 472 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3m49 h PRO 472 CO 0.00 0.21 0.00 0.25 -0.23 0.00 0.00 178.00 178.23 3m49 n THR 473 N -3.87 0.89 -0.03 1.56 -2.24 -1.26 -2.74 114.28 106.59 3m49 n THR 473 Ca -0.02 0.22 0.02 0.00 -2.27 0.00 0.00 64.05 62.00 3m49 n THR 473 Cb 0.30 -1.06 0.04 0.00 -2.10 0.00 0.00 70.33 67.52 3m49 n THR 473 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3m49 n HIS 474 N -1.86 0.13 -3.98 4.78 8.25 -0.44 -4.95 115.22 117.15 3m49 n HIS 474 Ca 0.03 -0.42 -0.34 0.00 -0.26 0.00 0.00 57.72 56.73 3m49 n HIS 474 Cb 0.21 -0.04 -0.14 0.00 1.12 0.00 0.00 29.99 31.14 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 -0.89 2.55 0.46 -0.41 2.02 -1.07 -4.78 118.70 116.58 3m49 s GLU 475 Ca 0.07 -1.16 -0.25 0.00 0.02 0.00 0.00 54.97 53.65 3m49 s GLU 475 Cb 0.04 -3.00 -0.08 0.00 0.10 0.00 0.00 34.13 31.18 3m49 s GLU 475 CO 0.05 -0.51 1.43 -2.14 0.02 0.00 0.00 175.26 174.11 3m49 s PRO 476 N 1.24 3.63 0.16 0.39 0.02 -1.26 -4.74 135.00 134.44 3m49 s PRO 476 Ca -0.04 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.41 3m49 s PRO 476 Cb -0.18 -2.62 0.00 0.00 0.02 0.00 0.00 34.50 31.71 3m49 s PRO 476 CO -0.04 -0.87 0.00 -0.89 -0.33 0.00 0.00 177.00 174.87 3m49 n ILE 477 N -0.27 0.44 1.19 2.83 2.08 -1.26 -4.29 119.36 120.08 3m49 n ILE 477 Ca 0.06 0.15 0.13 0.00 0.56 0.00 0.00 62.75 63.64 3m49 n ILE 477 Cb 0.42 -0.99 0.26 0.00 -0.75 0.00 0.00 39.64 38.58 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 -3.33 1.61 -0.11 0.38 0.00 -1.26 -1.19 120.64 116.74 3m49 n GLU 478 Ca 0.00 -1.17 -0.02 0.00 0.00 0.00 0.00 57.16 55.96 3m49 n GLU 478 Cb 0.05 -1.48 0.21 0.00 0.00 0.00 0.00 31.44 30.22 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 2.86 0.79 0.26 3.44 7.50 -1.94 -1.97 115.11 126.05 3m49 h GLN 479 Ca 0.00 -0.16 -0.01 0.00 0.50 0.00 0.00 58.65 58.98 3m49 h GLN 479 Cb 0.71 -0.12 -0.00 0.00 0.05 0.00 0.00 27.48 28.12 3m49 h GLN 479 CO 0.00 0.72 -0.15 -0.07 -1.50 0.00 0.00 178.83 177.83 3m49 h LEU 480 N 0.76 -0.36 -0.77 1.46 3.38 -1.97 -2.48 115.31 115.33 3m49 h LEU 480 Ca 0.17 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.19 3m49 h LEU 480 Cb 0.30 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 3m49 h LEU 480 CO 0.00 -0.24 0.48 0.00 0.09 0.00 0.00 178.44 178.77 3m49 h ALA 481 N 0.35 1.01 -0.61 1.53 0.00 -1.80 0.16 119.26 119.91 3m49 h ALA 481 Ca -0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3m49 h ALA 481 Cb 0.31 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3m49 h ALA 481 CO 0.03 0.28 0.31 0.00 0.00 0.00 0.00 179.25 179.87 3m49 h ALA 482 N 1.33 1.40 0.16 0.00 0.00 -1.22 -1.06 119.26 119.88 3m49 h ALA 482 Ca 0.31 -0.11 -0.31 0.00 0.00 0.00 0.00 54.91 54.80 3m49 h ALA 482 Cb 0.03 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.59 3m49 h ALA 482 CO -0.12 0.48 -1.43 -0.07 0.00 0.00 0.00 179.25 178.11 3m49 h LEU 483 N 0.85 0.54 -2.22 0.00 3.38 -1.04 -3.32 115.31 113.50 3m49 h LEU 483 Ca 0.21 -0.63 -0.00 0.00 0.09 0.00 0.00 57.88 57.55 3m49 h LEU 483 Cb 0.06 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 3m49 h LEU 483 CO -0.03 1.51 -0.01 0.03 0.09 0.00 0.00 178.44 180.03 3m49 h ARG 484 N 0.09 0.00 -3.39 1.13 3.08 -0.12 -3.46 114.38 111.72 3m49 h ARG 484 Ca -0.21 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.14 3m49 h ARG 484 Cb 2.05 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 32.08 3m49 h ARG 484 CO 0.21 0.01 3.41 0.00 -1.07 0.00 0.00 179.97 182.52 3m49 n ALA 485 N -2.43 6.64 -2.51 0.04 0.00 -0.45 -4.99 120.51 116.82 3m49 n ALA 485 Ca -0.03 -3.74 -0.32 0.00 0.00 0.00 0.00 53.44 49.35 3m49 n ALA 485 Cb 0.09 -3.39 -0.12 0.00 0.00 0.00 0.00 19.45 16.03 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 2.28 2.39 -1.43 0.00 0.02 -1.26 -5.10 135.00 131.90 3m49 s PRO 487 Ca 0.59 -0.79 -0.08 0.00 0.02 0.00 0.00 61.00 60.73 3m49 s PRO 487 Cb 0.16 -2.36 0.02 0.00 0.02 0.00 0.00 34.50 32.34 3m49 s PRO 487 CO -0.07 0.59 1.00 -1.71 -0.33 0.00 0.00 177.00 176.48 3m49 n ASN 488 N 1.85 -6.17 -4.09 2.53 5.15 -1.26 -4.81 115.26 108.46 3m49 n ASN 488 Ca -0.16 -0.49 -0.28 0.00 -0.60 0.00 0.00 54.58 53.05 3m49 n ASN 488 Cb 0.52 -4.89 -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 -3.27 1.55 -0.14 3.44 1.01 -1.26 -4.08 120.40 117.64 3m49 s VAL 489 Ca 0.52 -0.70 -0.19 0.00 0.00 0.00 0.00 61.98 61.61 3m49 s VAL 489 Cb -0.23 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 3m49 s VAL 489 CO 0.64 0.45 0.53 -0.55 0.00 0.00 0.00 175.10 176.16 3m49 s SER 490 N 0.75 6.69 -0.25 3.32 0.15 -0.43 -4.93 113.70 119.00 3m49 s SER 490 Ca -0.11 0.82 -0.02 0.00 0.70 0.00 0.00 55.95 57.34 3m49 s SER 490 Cb -0.16 -2.31 0.02 0.00 -1.71 0.00 0.00 66.02 61.87 3m49 s SER 490 CO 0.02 -0.09 -0.04 -0.69 1.20 0.00 0.00 173.24 173.64 3m49 s VAL 491 N 1.03 2.99 -0.13 4.45 1.01 -1.26 0.19 120.40 128.68 3m49 s VAL 491 Ca 0.27 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 61.27 3m49 s VAL 491 Cb -0.16 -2.53 0.01 0.00 0.00 0.00 0.00 36.38 33.71 3m49 s VAL 491 CO 0.11 0.18 -0.19 -0.63 0.00 0.00 0.00 175.10 174.57 3m49 s ILE 492 N 1.34 1.85 -0.61 2.22 1.01 -0.32 -4.29 121.20 122.39 3m49 s ILE 492 Ca 0.00 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 59.84 3m49 s ILE 492 Cb -0.17 -1.65 0.15 0.00 0.01 0.00 0.00 42.46 40.80 3m49 s ILE 492 CO -0.04 0.51 0.38 -0.60 0.00 0.00 0.00 174.94 175.19 3m49 s ARG 493 N 0.93 2.26 0.43 2.79 3.52 -0.02 -0.84 118.95 128.02 3m49 s ARG 493 Ca -0.06 -2.92 -0.24 0.00 -0.13 0.00 0.00 55.73 52.39 3m49 s ARG 493 Cb -0.15 -3.42 -0.08 0.00 -1.56 0.00 0.00 34.95 29.74 3m49 s ARG 493 CO -0.03 -1.19 1.20 -1.25 -0.81 0.00 0.00 175.30 173.22 3m49 s PRO 494 N -0.75 3.86 0.18 5.12 0.04 -1.26 -2.32 135.00 139.88 3m49 s PRO 494 Ca 0.20 1.87 0.25 0.00 0.04 0.00 0.00 61.00 63.36 3m49 s PRO 494 Cb -0.17 -2.55 0.46 0.00 0.04 0.00 0.00 34.50 32.28 3m49 s PRO 494 CO -0.07 -0.49 1.46 0.00 0.04 0.00 0.00 177.00 177.94 3m49 h ALA 495 N 2.32 0.73 -2.33 8.56 0.00 -1.90 -3.39 119.26 123.25 3m49 h ALA 495 Ca -0.49 0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.50 3m49 h ALA 495 Cb 1.25 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3m49 h ALA 495 CO 0.61 0.00 0.37 -0.40 0.00 0.00 0.00 179.25 179.83 3m49 n ASP 496 N -2.28 -1.27 -0.18 0.00 5.75 -1.26 -4.59 116.55 112.71 3m49 n ASP 496 Ca 0.04 -1.71 -0.04 0.00 -0.01 0.00 0.00 54.79 53.06 3m49 n ASP 496 Cb 0.45 2.07 0.06 0.00 -1.03 0.00 0.00 41.12 42.68 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 1.36 0.78 1.02 6.12 0.00 -1.86 -1.72 103.07 108.77 3m49 h GLY 497 Ca -0.20 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 46.86 3m49 h GLY 497 CO 0.26 0.14 0.07 3.43 0.00 0.00 0.00 176.54 180.44 3m49 h ASN 498 N 0.57 0.89 -0.56 0.19 -0.26 -1.92 -1.81 115.58 112.67 3m49 h ASN 498 Ca 0.24 -0.27 0.01 0.00 -0.56 0.00 0.00 56.30 55.72 3m49 h ASN 498 Cb 0.12 -0.24 -0.03 0.00 -1.06 0.00 0.00 38.32 37.12 3m49 h ASN 498 CO -0.15 0.94 0.37 -0.33 -1.06 0.00 0.00 177.43 177.20 3m49 h GLU 499 N 0.82 0.73 -0.11 0.81 5.08 -1.80 -1.84 114.58 118.26 3m49 h GLU 499 Ca 0.17 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.36 3m49 h GLU 499 Cb 0.43 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3m49 h GLU 499 CO 0.01 0.48 -0.48 0.66 -1.00 0.00 0.00 179.01 178.68 3m49 h SER 500 N 0.75 0.31 -0.21 1.42 4.64 -0.76 0.88 113.55 120.57 3m49 h SER 500 Ca 0.21 -0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.35 3m49 h SER 500 Cb -0.07 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 3m49 h SER 500 CO -0.05 0.74 0.03 0.58 -0.87 0.00 0.00 176.83 177.27 3m49 h VAL 501 N 0.23 1.23 -0.94 0.95 2.07 -0.73 -1.23 116.25 117.83 3m49 h VAL 501 Ca 0.01 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.77 3m49 h VAL 501 Cb 0.94 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.98 3m49 h VAL 501 CO 0.08 0.24 0.60 0.00 0.02 0.00 0.00 177.57 178.50 3m49 h ALA 502 N 0.83 1.29 -0.52 1.67 0.00 -1.00 -1.90 119.26 119.63 3m49 h ALA 502 Ca 0.06 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3m49 h ALA 502 Cb 0.33 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3m49 h ALA 502 CO 0.01 0.64 0.19 0.00 0.00 0.00 0.00 179.25 180.08 3m49 h ALA 503 N 1.38 0.68 -0.72 0.00 0.00 -0.57 -0.98 119.26 119.05 3m49 h ALA 503 Ca 0.34 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3m49 h ALA 503 Cb -0.11 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 3m49 h ALA 503 CO -0.07 0.31 0.31 -1.49 0.00 0.00 0.00 179.25 178.32 3m49 h TRP 504 N 0.71 1.05 -0.08 0.00 4.06 -0.98 0.29 115.95 121.00 3m49 h TRP 504 Ca 0.17 -0.06 0.00 0.00 2.06 0.00 0.00 58.89 61.07 3m49 h TRP 504 Cb 0.23 -0.32 -0.00 0.00 -1.00 0.00 0.00 29.16 28.07 3m49 h TRP 504 CO 0.01 0.78 0.05 -0.09 -3.56 0.00 0.00 178.44 175.63 3m49 h ARG 505 N 1.03 0.09 -0.96 0.49 2.43 -0.81 0.98 114.38 117.63 3m49 h ARG 505 Ca 0.24 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.43 3m49 h ARG 505 Cb 0.15 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.63 3m49 h ARG 505 CO -0.03 0.06 0.64 -0.07 -1.51 0.00 0.00 179.97 179.06 3m49 h LEU 506 N 0.09 1.09 -0.28 3.80 3.38 -0.86 -0.59 115.31 121.94 3m49 h LEU 506 Ca 0.03 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3m49 h LEU 506 Cb -0.01 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3m49 h LEU 506 CO -0.01 0.78 0.03 0.00 0.09 0.00 0.00 178.44 179.32 3m49 h ALA 507 N 1.41 0.38 -0.08 1.53 0.00 -0.48 -2.63 119.26 119.38 3m49 h ALA 507 Ca 0.36 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3m49 h ALA 507 Cb -0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3m49 h ALA 507 CO -0.09 0.09 -0.36 1.25 0.00 0.00 0.00 179.25 180.14 3m49 h LEU 508 N 0.29 0.16 0.00 0.00 5.85 -0.53 -2.74 115.31 118.33 3m49 h LEU 508 Ca 0.08 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3m49 h LEU 508 Cb 0.38 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.36 3m49 h LEU 508 CO 0.01 0.52 -0.02 -0.62 -0.34 0.00 0.00 178.44 177.99 3m49 n GLU 509 N -4.08 0.00 -1.71 1.25 1.02 -0.25 -4.89 120.64 111.98 3m49 n GLU 509 Ca -0.01 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.74 3m49 n GLU 509 Cb 0.43 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.38 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 -1.51 2.26 0.00 1.62 2.88 -1.00 -4.93 113.62 112.94 3m49 n SER 510 Ca 0.07 0.97 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 3m49 n SER 510 Cb 0.34 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.28 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 -1.02 0.00 -1.33 2.46 -2.24 -1.26 -4.78 114.28 106.11 3m49 n THR 511 Ca 0.10 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 3m49 n THR 511 Cb 0.44 0.51 0.00 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 -1.26 0.00 -3.64 3.42 2.04 -1.26 -4.42 115.26 110.14 3m49 n ASN 512 Ca 0.00 -1.25 -0.15 0.00 -0.44 0.00 0.00 54.58 52.74 3m49 n ASN 512 Cb 0.00 -0.05 -0.07 0.00 -2.53 0.00 0.00 39.78 37.12 3m49 n ASN 512 CO 0.00 0.00 0.00 -1.59 -0.44 0.00 0.00 177.26 175.23 3m49 s LYS 513 N 0.00 0.83 0.60 -3.83 -2.85 -1.26 -4.34 119.74 108.90 3m49 s LYS 513 Ca 0.00 0.29 -0.17 0.00 -1.00 0.00 0.00 55.97 55.09 3m49 s LYS 513 Cb 0.00 0.39 -0.03 0.00 -2.06 0.00 0.00 37.83 36.13 3m49 s LYS 513 CO 0.00 -0.21 1.10 -1.25 0.10 0.00 0.00 175.35 175.08 3m49 s PRO 514 N -0.78 3.14 -0.12 1.78 0.04 -0.76 -4.15 135.00 134.15 3m49 s PRO 514 Ca -0.08 1.40 0.02 0.00 0.04 0.00 0.00 61.00 62.37 3m49 s PRO 514 Cb -0.03 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.53 3m49 s PRO 514 CO 0.06 -0.98 -0.18 0.99 0.04 0.00 0.00 177.00 176.93 3m49 s THR 515 N -2.20 1.70 -0.33 1.26 2.01 -0.25 -1.31 115.64 116.53 3m49 s THR 515 Ca 0.68 -0.77 -0.13 0.00 0.31 0.00 0.00 61.69 61.78 3m49 s THR 515 Cb -0.20 -1.53 -0.02 0.00 0.01 0.00 0.00 72.50 70.76 3m49 s THR 515 CO 0.35 0.48 0.26 0.00 -0.69 0.00 0.00 174.62 175.02 3m49 s ALA 516 N 0.90 3.51 -0.20 7.40 0.00 0.13 -1.01 121.76 132.49 3m49 s ALA 516 Ca -0.07 -1.27 -0.17 0.00 0.00 0.00 0.00 51.96 50.45 3m49 s ALA 516 Cb -0.15 -2.67 -0.04 0.00 0.00 0.00 0.00 23.12 20.26 3m49 s ALA 516 CO -0.01 -0.90 0.44 -0.51 0.00 0.00 0.00 175.76 174.78 3m49 s LEU 517 N 1.80 4.15 -0.27 0.00 1.43 0.22 -1.18 118.68 124.83 3m49 s LEU 517 Ca 0.08 0.57 -0.05 0.00 -1.03 0.00 0.00 54.13 53.69 3m49 s LEU 517 Cb -0.17 -2.59 0.01 0.00 0.03 0.00 0.00 46.19 43.47 3m49 s LEU 517 CO 0.11 -0.12 0.04 -0.69 0.23 0.00 0.00 176.35 175.91 3m49 s VAL 518 N 1.46 3.69 0.13 -1.59 1.01 -0.02 -1.10 120.40 123.98 3m49 s VAL 518 Ca 0.21 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.55 3m49 s VAL 518 Cb -0.15 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 3m49 s VAL 518 CO 0.09 0.17 -0.14 -0.76 0.00 0.00 0.00 175.10 174.45 3m49 s LEU 519 N 1.47 2.42 0.17 3.92 1.43 0.24 -3.98 118.68 124.34 3m49 s LEU 519 Ca 0.03 -0.84 -0.05 0.00 -1.03 0.00 0.00 54.13 52.23 3m49 s LEU 519 Cb -0.17 -0.55 -0.06 0.00 0.03 0.00 0.00 46.19 45.44 3m49 s LEU 519 CO 0.00 -0.16 0.41 0.42 0.23 0.00 0.00 176.35 177.26 3m49 s THR 520 N -2.27 5.12 0.09 5.49 -4.23 -1.26 -1.41 115.64 117.17 3m49 s THR 520 Ca 0.10 0.10 -0.13 0.00 -1.18 0.00 0.00 61.69 60.58 3m49 s THR 520 Cb -0.04 -3.63 -0.20 0.00 1.34 0.00 0.00 72.50 69.97 3m49 s THR 520 CO 0.03 -0.00 1.24 -0.09 -0.54 0.00 0.00 174.62 175.26 3m49 h ARG 521 N 2.70 0.74 -6.42 3.99 2.43 -1.92 -2.63 114.38 113.26 3m49 h ARG 521 Ca -0.46 -0.71 -0.52 0.00 -0.81 0.00 0.00 59.98 57.49 3m49 h ARG 521 Cb 1.17 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.89 3m49 h ARG 521 CO 0.72 1.29 -0.20 1.14 -1.51 0.00 0.00 179.97 181.41 3m49 s GLN 522 N -3.50 3.58 0.37 0.20 0.00 -1.26 -4.81 119.66 114.24 3m49 s GLN 522 Ca -0.10 -0.13 -0.27 0.00 -0.00 0.00 0.00 55.36 54.86 3m49 s GLN 522 Cb 0.08 -2.70 -0.09 0.00 0.00 0.00 0.00 33.01 30.30 3m49 s GLN 522 CO 0.91 0.25 1.27 -0.51 0.00 0.00 0.00 175.29 177.22 3m49 s ASP 523 N -3.27 6.56 0.13 12.60 1.01 -1.26 -4.12 116.67 128.31 3m49 s ASP 523 Ca 0.42 2.59 0.11 0.00 0.71 0.00 0.00 52.55 56.37 3m49 s ASP 523 Cb -0.11 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.15 3m49 s ASP 523 CO 0.30 -0.67 -0.26 -0.76 0.21 0.00 0.00 175.17 173.99 3m49 s LEU 524 N -2.17 2.32 0.50 1.23 1.43 -0.28 -4.80 118.68 116.91 3m49 s LEU 524 Ca 0.54 -0.74 -0.19 0.00 -1.03 0.00 0.00 54.13 52.70 3m49 s LEU 524 Cb -0.37 -1.19 -0.08 0.00 0.03 0.00 0.00 46.19 44.59 3m49 s LEU 524 CO 0.48 0.17 1.02 -2.16 0.23 0.00 0.00 176.35 176.09 3m49 s PRO 525 N -2.04 3.78 -0.01 1.29 0.04 -1.26 -1.29 135.00 135.52 3m49 s PRO 525 Ca 0.13 1.25 -0.30 0.00 0.04 0.00 0.00 61.00 62.12 3m49 s PRO 525 Cb -0.10 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 3m49 s PRO 525 CO 0.06 -0.43 1.11 0.99 0.04 0.00 0.00 177.00 178.76 3m49 s THR 526 N -2.17 4.43 -0.08 1.26 2.01 -0.62 -4.76 115.64 115.71 3m49 s THR 526 Ca 0.65 1.74 -0.20 0.00 0.31 0.00 0.00 61.69 64.20 3m49 s THR 526 Cb -0.14 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.20 3m49 s THR 526 CO 0.24 0.08 0.55 -0.76 -0.69 0.00 0.00 174.62 174.04 3m49 s LEU 527 N 1.45 4.32 0.28 4.42 1.43 -1.26 -4.61 118.68 124.72 3m49 s LEU 527 Ca 0.55 0.98 -0.03 0.00 -1.03 0.00 0.00 54.13 54.60 3m49 s LEU 527 Cb -0.24 -2.83 0.41 0.00 0.03 0.00 0.00 46.19 43.56 3m49 s LEU 527 CO 0.26 0.00 1.94 -0.33 0.23 0.00 0.00 176.35 178.45 3m49 h GLU 528 N 6.46 1.14 0.00 1.70 5.08 -1.94 -2.45 114.58 124.56 3m49 h GLU 528 Ca -0.42 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 3m49 h GLU 528 Cb 1.19 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.18 3m49 h GLU 528 CO 0.74 0.75 0.00 0.41 -1.00 0.00 0.00 179.01 179.91 3m49 n GLY 529 N -1.39 -1.36 0.36 -3.84 0.00 -1.25 -2.87 105.19 94.82 3m49 n GLY 529 Ca 0.11 -0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.47 3.57 -0.08 4.61 0.00 -0.94 -4.68 120.51 121.53 3m49 n ALA 530 Ca 0.07 -0.58 -0.13 0.00 0.00 0.00 0.00 53.44 52.80 3m49 n ALA 530 Cb 0.29 -0.68 -0.05 0.00 0.00 0.00 0.00 19.45 19.00 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 1.75 0.52 -5.98 0.00 1.63 -1.38 -3.37 116.57 109.74 3m49 h LYS 531 Ca 0.00 -0.26 -0.62 0.00 -0.85 0.00 0.00 60.65 58.92 3m49 h LYS 531 Cb 0.62 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.20 3m49 h LYS 531 CO 0.00 0.84 -0.25 -0.51 -3.45 0.00 0.00 179.45 176.08 3m49 s ASP 532 N -6.30 6.73 -1.66 4.20 1.01 -1.26 -4.29 116.67 115.11 3m49 s ASP 532 Ca -0.13 0.87 -0.02 0.00 0.71 0.00 0.00 52.55 53.98 3m49 s ASP 532 Cb 0.07 -2.22 0.00 0.00 1.01 0.00 0.00 42.92 41.79 3m49 s ASP 532 CO 0.79 0.31 0.30 -0.67 0.21 0.00 0.00 175.17 176.11 3m49 n ASP 533 N 1.70 -5.99 -0.30 0.27 2.03 -1.26 -4.88 116.55 108.13 3m49 n ASP 533 Ca -0.14 -0.15 -0.03 0.00 0.52 0.00 0.00 54.79 55.00 3m49 n ASP 533 Cb 0.53 -4.90 0.09 0.00 -0.72 0.00 0.00 41.12 36.12 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 -0.68 1.16 -0.33 5.18 2.02 -1.75 -1.66 112.91 116.86 3m49 h THR 534 Ca -0.51 -0.36 0.03 0.00 0.77 0.00 0.00 66.41 66.34 3m49 h THR 534 Cb 1.36 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 3m49 h THR 534 CO 0.57 0.19 0.15 0.22 0.37 0.00 0.00 175.52 177.03 3m49 h TYR 535 N 1.05 0.28 -0.27 3.16 3.20 -1.90 -0.68 116.97 121.82 3m49 h TYR 535 Ca 0.32 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.10 3m49 h TYR 535 Cb -0.04 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 3m49 h TYR 535 CO -0.02 0.15 -0.27 0.93 -1.64 0.00 0.00 178.16 177.31 3m49 h GLU 536 N 0.32 0.54 -0.04 1.82 4.39 -1.80 0.67 114.58 120.47 3m49 h GLU 536 Ca 0.14 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 3m49 h GLU 536 Cb 0.06 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 3m49 h GLU 536 CO -0.11 0.76 0.00 0.87 -1.16 0.00 0.00 179.01 179.37 3m49 h LYS 537 N 0.47 0.08 -0.28 2.33 1.57 -1.04 -2.98 116.57 116.72 3m49 h LYS 537 Ca 0.06 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.70 3m49 h LYS 537 Cb 0.71 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 3m49 h LYS 537 CO 0.05 0.36 -0.32 0.28 -0.57 0.00 0.00 179.45 179.25 3m49 h VAL 538 N -0.21 1.28 -0.47 0.50 2.07 -1.00 -2.18 116.25 116.24 3m49 h VAL 538 Ca 0.01 -1.43 0.14 0.00 0.82 0.00 0.00 66.70 66.24 3m49 h VAL 538 Cb 0.32 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 3m49 h VAL 538 CO 0.00 0.46 0.37 0.00 0.02 0.00 0.00 177.57 178.42 3m49 h ALA 539 N 1.16 2.35 0.00 1.67 0.00 -0.85 0.23 119.26 123.82 3m49 h ALA 539 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3m49 h ALA 539 Cb 0.79 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3m49 h ALA 539 CO 0.06 -0.61 0.00 1.63 0.00 0.00 0.00 179.25 180.33 3m49 n LYS 540 N -4.19 0.08 0.00 0.00 4.76 -0.82 -4.83 118.16 113.16 3m49 n LYS 540 Ca 0.08 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 3m49 n LYS 540 Cb 0.58 -1.60 0.00 0.00 -1.84 0.00 0.00 35.03 32.17 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 1.32 1.75 3.11 0.72 0.00 0.07 -3.12 105.19 109.04 3m49 n GLY 541 Ca 0.06 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.41 0.13 4.61 0.00 -1.26 -1.38 121.76 123.23 3m49 s ALA 542 Ca 0.00 0.08 -0.19 0.00 0.00 0.00 0.00 51.96 51.86 3m49 s ALA 542 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 23.12 23.17 3m49 s ALA 542 CO 0.00 -0.19 0.47 1.52 0.00 0.00 0.00 175.76 177.56 3m49 s TYR 543 N -1.01 -0.32 -0.50 0.00 1.13 -0.69 -5.00 117.35 110.96 3m49 s TYR 543 Ca -0.11 0.07 -0.28 0.00 -1.41 0.00 0.00 57.07 55.34 3m49 s TYR 543 Cb -0.06 0.35 0.02 0.00 -1.10 0.00 0.00 41.96 41.17 3m49 s TYR 543 CO 0.02 -0.74 1.33 0.08 -2.51 0.00 0.00 175.55 173.73 3m49 s VAL 544 N -3.65 3.93 -0.10 -3.49 1.01 -1.26 -0.91 120.40 115.94 3m49 s VAL 544 Ca 0.01 0.88 0.14 0.00 0.00 0.00 0.00 61.98 63.02 3m49 s VAL 544 Cb 0.01 -4.44 -0.08 0.00 0.00 0.00 0.00 36.38 31.88 3m49 s VAL 544 CO -0.11 -1.04 1.12 1.62 0.00 0.00 0.00 175.10 176.69 3m49 h VAL 545 N 6.35 0.83 -2.25 2.92 3.04 -1.23 -3.44 116.25 122.47 3m49 h VAL 545 Ca -0.26 -2.32 -0.30 0.00 -1.01 0.00 0.00 66.70 62.80 3m49 h VAL 545 Cb 1.09 2.32 -0.34 0.00 -2.01 0.00 0.00 31.29 32.35 3m49 h VAL 545 CO 1.14 0.47 -0.61 -0.55 -1.01 0.00 0.00 177.57 177.01 3m49 s SER 546 N -6.19 1.40 0.64 3.17 0.15 -0.88 -3.96 113.70 108.03 3m49 s SER 546 Ca 0.00 -0.44 -0.16 0.00 0.70 0.00 0.00 55.95 56.05 3m49 s SER 546 Cb 0.08 0.54 -0.01 0.00 -1.71 0.00 0.00 66.02 64.92 3m49 s SER 546 CO 0.79 -0.36 1.14 0.00 1.20 0.00 0.00 173.24 176.01 3m49 s ALA 547 N 2.37 2.47 0.86 5.45 0.00 -1.26 -0.42 121.76 131.23 3m49 s ALA 547 Ca 0.09 0.70 -0.11 0.00 0.00 0.00 0.00 51.96 52.64 3m49 s ALA 547 Cb -0.15 -3.36 0.11 0.00 0.00 0.00 0.00 23.12 19.72 3m49 s ALA 547 CO -0.23 -1.26 1.09 -1.54 0.00 0.00 0.00 175.76 173.82 3m49 s SER 548 N -2.22 3.81 0.04 0.00 1.04 -1.24 -4.77 113.70 110.35 3m49 s SER 548 Ca 0.70 1.48 -0.18 0.00 0.48 0.00 0.00 55.95 58.44 3m49 s SER 548 Cb -0.24 -2.18 -0.18 0.00 0.10 0.00 0.00 66.02 63.53 3m49 s SER 548 CO 0.38 -2.43 1.23 0.11 0.98 0.00 0.00 173.24 173.52 3m49 h LYS 549 N -1.40 0.51 -7.09 4.02 1.79 -1.91 -3.45 116.57 109.04 3m49 h LYS 549 Ca -0.48 -0.41 -0.48 0.00 -2.18 0.00 0.00 60.65 57.10 3m49 h LYS 549 Cb 1.27 0.08 0.01 0.00 -1.58 0.00 0.00 32.23 32.02 3m49 h LYS 549 CO 0.55 1.03 0.30 0.15 -1.08 0.00 0.00 179.45 180.40 3m49 s LYS 550 N -3.70 3.89 0.43 3.15 1.02 -1.26 -4.97 119.74 118.30 3m49 s LYS 550 Ca -0.13 0.80 0.10 0.00 0.02 0.00 0.00 55.97 56.76 3m49 s LYS 550 Cb 0.05 -2.21 0.95 0.00 -0.52 0.00 0.00 37.83 36.10 3m49 s LYS 550 CO 0.82 -0.20 2.05 0.93 -0.92 0.00 0.00 175.35 178.03 3m49 h GLU 551 N 1.00 0.32 -4.80 1.68 5.08 -2.03 -3.36 114.58 112.47 3m49 h GLU 551 Ca -0.47 -0.03 -0.68 0.00 -1.00 0.00 0.00 59.36 57.18 3m49 h GLU 551 Cb 1.19 -0.07 -0.33 0.00 0.50 0.00 0.00 28.75 30.04 3m49 h GLU 551 CO 0.62 0.26 -0.72 0.99 -1.00 0.00 0.00 179.01 179.16 3m49 s THR 552 N -5.20 2.85 0.69 1.13 2.01 -1.26 -5.07 115.64 110.79 3m49 s THR 552 Ca -0.07 -1.37 -0.15 0.00 0.31 0.00 0.00 61.69 60.41 3m49 s THR 552 Cb 0.17 -2.62 0.01 0.00 0.01 0.00 0.00 72.50 70.08 3m49 s THR 552 CO 0.71 -0.05 1.15 0.00 -0.69 0.00 0.00 174.62 175.74 3m49 s ALA 553 N 1.24 2.33 0.19 7.40 0.00 -1.26 -4.95 121.76 126.70 3m49 s ALA 553 Ca -0.05 0.69 0.01 0.00 0.00 0.00 0.00 51.96 52.60 3m49 s ALA 553 Cb -0.19 -3.38 0.09 0.00 0.00 0.00 0.00 23.12 19.63 3m49 s ALA 553 CO -0.02 -1.51 1.45 -0.44 0.00 0.00 0.00 175.76 175.24 3m49 h ASP 554 N -0.08 0.38 -5.00 0.00 3.32 -1.19 -3.47 116.42 110.37 3m49 h ASP 554 Ca -0.47 -0.25 -0.10 0.00 0.02 0.00 0.00 57.03 56.23 3m49 h ASP 554 Cb 1.27 -0.11 -0.19 0.00 0.22 0.00 0.00 39.33 40.52 3m49 h ASP 554 CO 0.52 0.99 -0.15 0.54 -1.72 0.00 0.00 179.24 179.42 3m49 s VAL 555 N -3.55 0.05 -0.17 -1.35 0.11 -1.15 -4.65 120.40 109.69 3m49 s VAL 555 Ca -0.05 -0.40 -0.03 0.00 -2.93 0.00 0.00 61.98 58.57 3m49 s VAL 555 Cb 0.11 -0.77 -0.02 0.00 -1.53 0.00 0.00 36.38 34.16 3m49 s VAL 555 CO 0.83 -0.22 -0.04 -0.63 -3.33 0.00 0.00 175.10 171.71 3m49 s ILE 556 N -1.61 3.71 -0.25 7.04 1.01 -0.21 -1.19 121.20 129.70 3m49 s ILE 556 Ca -0.11 -0.41 -0.11 0.00 0.00 0.00 0.00 60.65 60.02 3m49 s ILE 556 Cb -0.03 -2.64 -0.05 0.00 0.01 0.00 0.00 42.46 39.75 3m49 s ILE 556 CO 0.04 0.47 0.20 -0.76 0.00 0.00 0.00 174.94 174.88 3m49 s LEU 557 N 0.66 4.09 -0.10 2.97 1.43 0.89 -0.76 118.68 127.87 3m49 s LEU 557 Ca -0.03 0.12 -0.01 0.00 -1.03 0.00 0.00 54.13 53.18 3m49 s LEU 557 Cb -0.15 -2.16 -0.03 0.00 0.03 0.00 0.00 46.19 43.89 3m49 s LEU 557 CO 0.02 0.02 -0.04 -0.76 0.23 0.00 0.00 176.35 175.82 3m49 s LEU 558 N 1.28 3.31 0.20 1.79 1.02 -0.20 -0.23 118.68 125.84 3m49 s LEU 558 Ca 0.09 -0.01 -0.14 0.00 0.02 0.00 0.00 54.13 54.08 3m49 s LEU 558 Cb -0.14 -1.76 0.01 0.00 0.02 0.00 0.00 46.19 44.32 3m49 s LEU 558 CO 0.06 0.30 0.45 0.00 0.02 0.00 0.00 176.35 177.19 3m49 s ALA 559 N -0.42 -0.56 0.10 4.21 0.00 -0.67 -0.23 121.76 124.19 3m49 s ALA 559 Ca 0.07 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.50 3m49 s ALA 559 Cb -0.12 0.89 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 3m49 s ALA 559 CO 0.02 -0.78 -0.02 0.95 0.00 0.00 0.00 175.76 175.93 3m49 s THR 560 N -3.93 0.45 0.00 0.00 -4.23 -1.24 -4.32 115.64 102.38 3m49 s THR 560 Ca 0.14 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 3m49 s THR 560 Cb 0.00 -1.76 0.00 0.00 1.34 0.00 0.00 72.50 72.08 3m49 s THR 560 CO 0.00 -0.78 0.00 0.61 -0.54 0.00 0.00 174.62 173.91 3m49 n GLY 561 N -0.04 2.66 0.09 3.99 0.00 -0.98 -1.01 105.19 109.90 3m49 n GLY 561 Ca -0.11 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 45.94 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 1.48 0.30 -0.06 1.61 3.41 -1.26 -1.97 113.62 117.14 3m49 n SER 562 Ca 0.00 0.63 0.12 0.00 -0.26 0.00 0.00 58.87 59.36 3m49 n SER 562 Cb 0.00 -0.67 0.18 0.00 -0.26 0.00 0.00 64.21 63.46 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 -1.90 0.17 -0.12 4.33 4.71 -0.18 -4.10 120.64 123.55 3m49 n GLU 563 Ca -0.01 -0.11 -0.10 0.00 -0.01 0.00 0.00 57.16 56.93 3m49 n GLU 563 Cb 0.03 -1.50 -0.02 0.00 -1.01 0.00 0.00 31.44 28.94 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 0.27 1.23 -0.97 2.62 2.07 -1.40 -0.44 116.25 119.63 3m49 h VAL 564 Ca 0.00 -0.79 0.03 0.00 0.82 0.00 0.00 66.70 66.75 3m49 h VAL 564 Cb 0.51 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 3m49 h VAL 564 CO 0.00 0.27 0.64 0.77 0.02 0.00 0.00 177.57 179.27 3m49 h SER 565 N 0.41 1.08 -0.51 0.57 4.64 -1.78 -0.45 113.55 117.50 3m49 h SER 565 Ca 0.11 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3m49 h SER 565 Cb 0.33 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 3m49 h SER 565 CO 0.00 0.75 0.30 0.25 -0.87 0.00 0.00 176.83 177.27 3m49 h LEU 566 N 1.26 0.63 -0.83 5.97 5.85 -1.67 -1.48 115.31 125.04 3m49 h LEU 566 Ca 0.38 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 59.03 3m49 h LEU 566 Cb -0.05 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 3m49 h LEU 566 CO -0.11 0.51 0.51 0.00 -0.34 0.00 0.00 178.44 179.01 3m49 h ALA 567 N 1.14 1.05 -0.56 1.25 0.00 -0.18 0.15 119.26 122.11 3m49 h ALA 567 Ca 0.18 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3m49 h ALA 567 Cb 0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3m49 h ALA 567 CO -0.03 0.50 0.02 0.28 0.00 0.00 0.00 179.25 180.02 3m49 h VAL 568 N 1.13 1.26 -0.57 0.00 2.07 -0.85 -0.26 116.25 119.03 3m49 h VAL 568 Ca 0.30 -1.09 0.05 0.00 0.82 0.00 0.00 66.70 66.77 3m49 h VAL 568 Cb -0.06 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 3m49 h VAL 568 CO -0.06 0.39 0.31 -0.33 0.02 0.00 0.00 177.57 177.90 3m49 h GLU 569 N 0.87 0.57 -0.33 1.57 3.07 -0.94 -2.11 114.58 117.28 3m49 h GLU 569 Ca 0.16 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 58.92 3m49 h GLU 569 Cb 0.51 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.28 3m49 h GLU 569 CO 0.02 0.38 -0.07 0.00 -1.40 0.00 0.00 179.01 177.95 3m49 h ALA 570 N 1.29 1.26 -0.29 3.43 0.00 -0.55 -1.90 119.26 122.50 3m49 h ALA 570 Ca 0.25 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3m49 h ALA 570 Cb 0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3m49 h ALA 570 CO -0.15 0.49 0.17 0.37 0.00 0.00 0.00 179.25 180.13 3m49 h GLN 571 N 0.52 0.40 -0.60 0.00 4.15 -0.60 0.11 115.11 119.09 3m49 h GLN 571 Ca 0.10 -0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.53 3m49 h GLN 571 Cb 0.44 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.00 3m49 h GLN 571 CO 0.02 0.33 0.33 -0.22 -1.93 0.00 0.00 178.83 177.36 3m49 h LYS 572 N 0.37 0.61 -0.40 1.69 3.64 -1.05 -0.92 116.57 120.49 3m49 h LYS 572 Ca 0.11 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 3m49 h LYS 572 Cb 0.03 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3m49 h LYS 572 CO -0.02 0.40 -0.06 0.00 -2.27 0.00 0.00 179.45 177.50 3m49 h ALA 573 N 1.31 0.55 -0.69 5.00 0.00 -1.02 -2.91 119.26 121.50 3m49 h ALA 573 Ca 0.26 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3m49 h ALA 573 Cb 0.14 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3m49 h ALA 573 CO -0.16 0.39 0.39 -0.07 0.00 0.00 0.00 179.25 179.81 3m49 h LEU 574 N 0.58 0.83 -0.89 0.00 3.38 -0.45 -2.71 115.31 116.05 3m49 h LEU 574 Ca 0.11 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3m49 h LEU 574 Cb 0.57 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 3m49 h LEU 574 CO 0.03 0.66 0.48 0.00 0.09 0.00 0.00 178.44 179.70 3m49 h ALA 575 N 1.48 1.15 -0.11 1.53 0.00 -0.87 0.94 119.26 123.38 3m49 h ALA 575 Ca 0.25 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3m49 h ALA 575 Cb -0.01 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 3m49 h ALA 575 CO -0.04 0.66 0.07 0.28 0.00 0.00 0.00 179.25 180.23 3m49 h VAL 576 N 1.26 0.98 -0.58 0.00 2.07 -1.36 -0.53 116.25 118.09 3m49 h VAL 576 Ca 0.31 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.81 3m49 h VAL 576 Cb 0.04 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3m49 h VAL 576 CO -0.05 0.01 0.00 0.47 0.02 0.00 0.00 177.57 178.02 3m49 n ASP 577 N -4.52 4.20 0.00 0.57 8.00 -0.40 -4.91 116.55 119.49 3m49 n ASP 577 Ca -0.01 -2.36 0.00 0.00 0.71 0.00 0.00 54.79 53.13 3m49 n ASP 577 Cb 0.14 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 3m49 n ASP 577 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3m49 n GLY 578 N 1.09 0.43 3.43 0.44 0.00 -0.21 -5.04 105.19 105.33 3m49 n GLY 578 Ca 0.23 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.00 3.77 -0.47 1.61 1.01 0.19 -4.98 120.40 119.52 3m49 s VAL 579 Ca 0.00 -0.38 -0.14 0.00 0.00 0.00 0.00 61.98 61.46 3m49 s VAL 579 Cb 0.00 -2.69 0.08 0.00 0.00 0.00 0.00 36.38 33.78 3m49 s VAL 579 CO 0.00 0.45 0.39 -0.62 0.00 0.00 0.00 175.10 175.31 3m49 s ASP 580 N 0.92 6.06 -0.01 3.32 2.15 -1.26 -2.51 116.67 125.33 3m49 s ASP 580 Ca 0.00 -1.43 -0.00 0.00 0.43 0.00 0.00 52.55 51.54 3m49 s ASP 580 Cb -0.14 -2.15 -0.04 0.00 -0.30 0.00 0.00 42.92 40.29 3m49 s ASP 580 CO 0.01 -0.66 0.07 0.00 -0.17 0.00 0.00 175.17 174.43 3m49 s ALA 581 N 1.59 3.55 -0.03 3.66 0.00 -1.26 -0.53 121.76 128.75 3m49 s ALA 581 Ca 0.04 -0.87 -0.10 0.00 0.00 0.00 0.00 51.96 51.03 3m49 s ALA 581 Cb -0.25 -1.56 -0.05 0.00 0.00 0.00 0.00 23.12 21.26 3m49 s ALA 581 CO 0.05 0.68 0.30 0.45 0.00 0.00 0.00 175.76 177.24 3m49 s SER 582 N -1.65 6.60 -0.16 0.00 0.15 -0.33 -3.70 113.70 114.61 3m49 s SER 582 Ca 0.22 0.72 -0.02 0.00 0.70 0.00 0.00 55.95 57.57 3m49 s SER 582 Cb -0.12 -2.16 -0.01 0.00 -1.71 0.00 0.00 66.02 62.02 3m49 s SER 582 CO 0.13 0.32 -0.09 -0.69 1.20 0.00 0.00 173.24 174.11 3m49 s VAL 583 N -1.14 3.31 -0.17 4.45 1.01 0.45 -0.07 120.40 128.24 3m49 s VAL 583 Ca 0.23 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 3m49 s VAL 583 Cb -0.14 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 3m49 s VAL 583 CO 0.12 0.49 -0.07 -0.69 0.00 0.00 0.00 175.10 174.94 3m49 s VAL 584 N 0.70 3.40 0.19 2.92 1.01 0.68 -0.73 120.40 128.57 3m49 s VAL 584 Ca -0.04 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.42 3m49 s VAL 584 Cb -0.15 -2.49 0.04 0.00 0.00 0.00 0.00 36.38 33.78 3m49 s VAL 584 CO 0.02 0.48 0.26 -0.24 0.00 0.00 0.00 175.10 175.62 3m49 n SER 585 N 3.96 0.39 0.00 3.32 2.88 -0.09 -1.68 113.62 122.40 3m49 n SER 585 Ca -0.18 -1.32 0.00 0.00 -1.33 0.00 0.00 58.87 56.04 3m49 n SER 585 Cb 0.52 -0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 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 -1.47 0.00 -4.22 -1.46 -0.04 -0.83 -1.70 135.00 125.29 3m49 n PRO 587 Ca 0.04 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.33 3m49 n PRO 587 Cb 0.16 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.55 3m49 n PRO 587 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3m49 s SER 588 N -0.59 1.36 0.00 3.54 0.15 -0.48 -0.84 113.70 116.84 3m49 s SER 588 Ca 0.00 -1.66 0.00 0.00 0.70 0.00 0.00 55.95 54.99 3m49 s SER 588 Cb 0.00 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 3m49 s SER 588 CO 0.00 -1.13 0.00 -0.90 1.20 0.00 0.00 173.24 172.41 3m49 n ASP 590 N -1.45 0.00 0.07 5.45 5.68 -1.26 -1.94 116.55 123.10 3m49 n ASP 590 Ca 0.05 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.31 3m49 n ASP 590 Cb 0.62 0.00 0.18 0.00 -1.14 0.00 0.00 41.12 40.78 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 0.31 -0.52 0.11 3.08 -1.91 -2.77 114.38 112.67 3m49 h ARG 591 Ca 0.00 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 59.80 3m49 h ARG 591 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3m49 h ARG 591 CO 0.00 0.69 -0.02 0.35 -1.07 0.00 0.00 179.97 179.92 3m49 h PHE 592 N 0.25 1.03 0.00 3.04 3.57 -1.33 -2.82 116.94 120.68 3m49 h PHE 592 Ca 0.02 -0.19 -0.01 0.00 3.53 0.00 0.00 57.97 61.32 3m49 h PHE 592 Cb 0.88 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.36 3m49 h PHE 592 CO 0.02 0.95 -0.06 0.93 -2.23 0.00 0.00 178.31 177.92 3m49 h GLU 593 N 0.81 0.00 0.00 1.11 4.39 -1.77 -1.24 114.58 117.88 3m49 h GLU 593 Ca 0.15 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.85 3m49 h GLU 593 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 3m49 h GLU 593 CO 0.03 0.06 0.00 0.00 -1.16 0.00 0.00 179.01 177.95 3m49 n ALA 594 N -2.40 2.39 -1.91 3.43 0.00 -1.07 -4.90 120.51 116.06 3m49 n ALA 594 Ca -0.03 -0.12 -0.29 0.00 0.00 0.00 0.00 53.44 53.00 3m49 n ALA 594 Cb 0.15 -1.47 0.06 0.00 0.00 0.00 0.00 19.45 18.19 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 -2.75 2.58 0.76 0.00 -1.52 -0.47 -5.04 119.66 113.23 3m49 s GLN 595 Ca 0.22 0.30 -0.12 0.00 -1.95 0.00 0.00 55.36 53.81 3m49 s GLN 595 Cb 0.19 -2.02 0.06 0.00 -0.22 0.00 0.00 33.01 31.01 3m49 s GLN 595 CO 0.48 -1.18 1.12 0.95 -0.25 0.00 0.00 175.29 176.41 3m49 s THR 596 N -3.39 2.92 0.35 -0.19 -4.23 -1.26 -4.82 115.64 105.01 3m49 s THR 596 Ca 0.59 0.35 0.02 0.00 -1.18 0.00 0.00 61.69 61.47 3m49 s THR 596 Cb -0.11 -2.77 0.25 0.00 1.34 0.00 0.00 72.50 71.21 3m49 s THR 596 CO 0.50 -0.34 1.99 0.00 -0.54 0.00 0.00 174.62 176.24 3m49 h ALA 597 N -0.85 1.52 -0.20 3.99 0.00 -1.97 -1.15 119.26 120.60 3m49 h ALA 597 Ca -0.45 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3m49 h ALA 597 Cb 1.25 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3m49 h ALA 597 CO 0.50 0.43 0.13 1.49 0.00 0.00 0.00 179.25 181.79 3m49 h GLU 598 N 0.83 0.26 -0.17 0.00 4.81 -1.99 -0.08 114.58 118.23 3m49 h GLU 598 Ca 0.22 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 3m49 h GLU 598 Cb -0.05 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 3m49 h GLU 598 CO -0.04 0.17 0.09 -0.92 -0.73 0.00 0.00 179.01 177.58 3m49 h TYR 599 N 0.27 0.24 -0.81 0.92 3.20 -1.74 -2.38 116.97 116.67 3m49 h TYR 599 Ca 0.07 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.99 3m49 h TYR 599 Cb -0.03 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.11 3m49 h TYR 599 CO -0.07 0.23 0.50 0.87 -1.64 0.00 0.00 178.16 178.05 3m49 h LYS 600 N 0.18 0.89 -0.41 1.82 1.57 -1.00 -0.83 116.57 118.79 3m49 h LYS 600 Ca 0.06 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3m49 h LYS 600 Cb 0.07 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 3m49 h LYS 600 CO -0.01 0.59 0.16 1.49 -0.57 0.00 0.00 179.45 181.11 3m49 h GLU 601 N 0.92 0.59 0.00 3.15 4.57 -0.85 0.11 114.58 123.07 3m49 h GLU 601 Ca 0.35 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.42 3m49 h GLU 601 Cb 0.13 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.61 3m49 h GLU 601 CO -0.16 0.50 -0.12 0.66 -1.18 0.00 0.00 179.01 178.71 3m49 h SER 602 N 0.59 0.00 0.03 1.04 4.64 -0.62 -2.21 113.55 117.01 3m49 h SER 602 Ca 0.14 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.08 3m49 h SER 602 Cb 0.13 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.17 3m49 h SER 602 CO -0.01 0.12 -2.21 0.52 -0.87 0.00 0.00 176.83 174.38 3m49 n VAL 603 N -3.58 1.57 -3.65 0.95 0.31 -0.46 -4.68 118.33 108.79 3m49 n VAL 603 Ca -0.02 -0.45 -0.27 0.00 -0.01 0.00 0.00 64.34 63.59 3m49 n VAL 603 Cb 0.25 -1.71 -0.10 0.00 -0.91 0.00 0.00 33.84 31.36 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 -3.77 2.76 -4.68 7.52 4.77 0.27 -4.92 117.00 118.96 3m49 n LEU 604 Ca -0.43 -5.18 -0.44 0.00 -0.03 0.00 0.00 56.01 49.93 3m49 n LEU 604 Cb 0.93 -0.52 -0.02 0.00 -2.33 0.00 0.00 43.42 41.48 3m49 n LEU 604 CO 0.22 1.89 1.00 -0.81 -1.33 0.00 0.00 177.39 178.36 3m49 n PRO 605 N 1.64 2.07 0.28 3.23 -0.04 -0.83 -4.57 135.00 136.77 3m49 n PRO 605 Ca 0.24 0.73 0.15 0.00 -0.04 0.00 0.00 63.50 64.59 3m49 n PRO 605 Cb 0.39 -2.38 0.83 0.00 -0.04 0.00 0.00 33.50 32.30 3m49 n PRO 605 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 3m49 h LYS 606 N 3.92 0.00 0.00 0.54 2.10 -1.94 -2.07 116.57 119.12 3m49 h LYS 606 Ca -0.45 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.18 3m49 h LYS 606 Cb 1.28 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.60 3m49 h LYS 606 CO 0.73 0.07 -0.11 0.00 -2.00 0.00 0.00 179.45 178.15 3m49 h ALA 607 N 1.93 1.03 -2.21 0.07 0.00 -1.97 -3.39 119.26 114.72 3m49 h ALA 607 Ca -0.00 -0.10 -0.72 0.00 0.00 0.00 0.00 54.91 54.09 3m49 h ALA 607 Cb 0.26 -0.02 -0.21 0.00 0.00 0.00 0.00 17.79 17.82 3m49 h ALA 607 CO 0.01 0.13 -0.19 0.08 0.00 0.00 0.00 179.25 179.28 3m49 s VAL 608 N -3.70 5.10 -0.88 0.00 1.01 -0.78 -4.88 120.40 116.27 3m49 s VAL 608 Ca 0.01 -0.89 0.22 0.00 0.00 0.00 0.00 61.98 61.31 3m49 s VAL 608 Cb 0.10 -4.20 -0.19 0.00 0.00 0.00 0.00 36.38 32.09 3m49 s VAL 608 CO 0.59 -0.68 0.96 0.35 0.00 0.00 0.00 175.10 176.31 3m49 n THR 609 N 5.35 0.02 -2.56 3.92 -2.24 -1.26 -4.77 114.28 112.74 3m49 n THR 609 Ca -0.10 -0.07 -0.41 0.00 -2.27 0.00 0.00 64.05 61.20 3m49 n THR 609 Cb 0.44 0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 69.36 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 -3.06 3.24 -0.01 -0.78 -0.14 -1.26 -4.11 119.74 113.62 3m49 s LYS 610 Ca 0.07 -0.17 0.02 0.00 -1.36 0.00 0.00 55.97 54.53 3m49 s LYS 610 Cb 0.16 -4.15 -0.00 0.00 -1.68 0.00 0.00 37.83 32.15 3m49 s LYS 610 CO 0.84 -2.06 -0.08 1.03 -0.76 0.00 0.00 175.35 174.31 3m49 s ARG 611 N 5.57 0.73 -0.11 1.68 0.52 -1.26 -1.05 118.95 125.03 3m49 s ARG 611 Ca 0.36 -0.28 -0.03 0.00 -0.52 0.00 0.00 55.73 55.26 3m49 s ARG 611 Cb -0.08 -0.70 0.04 0.00 0.52 0.00 0.00 34.95 34.73 3m49 s ARG 611 CO 0.17 0.15 0.05 0.12 0.02 0.00 0.00 175.30 175.81 3m49 s PHE 612 N -0.06 0.37 0.01 -0.53 2.19 0.06 -1.38 117.98 118.64 3m49 s PHE 612 Ca 0.01 -0.19 -0.03 0.00 0.33 0.00 0.00 56.93 57.05 3m49 s PHE 612 Cb -0.05 -0.70 -0.04 0.00 -1.31 0.00 0.00 43.02 40.92 3m49 s PHE 612 CO -0.00 -0.39 0.21 0.00 1.83 0.00 0.00 175.22 176.87 3m49 s ALA 613 N 2.07 3.94 -0.08 11.12 0.00 -0.56 -1.04 121.76 137.21 3m49 s ALA 613 Ca 0.03 -0.73 -0.01 0.00 0.00 0.00 0.00 51.96 51.25 3m49 s ALA 613 Cb -0.14 -1.92 0.03 0.00 0.00 0.00 0.00 23.12 21.09 3m49 s ALA 613 CO -0.06 0.74 -0.02 0.42 0.00 0.00 0.00 175.76 176.84 3m49 s ILE 614 N -1.36 0.56 0.00 0.00 1.01 0.68 -0.23 121.20 121.86 3m49 s ILE 614 Ca 0.29 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.95 3m49 s ILE 614 Cb -0.13 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.67 3m49 s ILE 614 CO 0.20 0.29 0.00 1.21 0.00 0.00 0.00 174.94 176.64 3m49 n GLU 615 N 5.09 0.00 -0.52 2.79 2.13 -0.80 -3.64 120.64 125.69 3m49 n GLU 615 Ca -0.09 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.81 3m49 n GLU 615 Cb 0.50 0.00 -0.02 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 -2.09 3.63 8.31 0.00 -1.26 -4.13 105.19 109.64 3m49 n GLY 617 Ca 0.00 -1.38 -0.40 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.38 0.37 0.37 4.61 0.00 -0.33 -0.03 120.51 124.11 3m49 n ALA 618 Ca 0.00 0.14 0.14 0.00 0.00 0.00 0.00 53.44 53.72 3m49 n ALA 618 Cb 0.24 -2.12 0.47 0.00 0.00 0.00 0.00 19.45 18.04 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 1.20 0.00 -1.72 0.00 1.35 -1.93 -3.44 112.91 108.37 3m49 h THR 619 Ca -0.47 -0.52 -0.69 0.00 -0.55 0.00 0.00 66.41 64.18 3m49 h THR 619 Cb 1.34 1.45 0.02 0.00 -1.73 0.00 0.00 68.15 69.23 3m49 h THR 619 CO 0.55 0.00 0.88 0.33 -0.25 0.00 0.00 175.52 177.02 3m49 n PHE 620 N -2.69 2.05 0.00 4.73 -0.00 -1.26 -1.78 117.46 118.51 3m49 n PHE 620 Ca 0.03 0.40 0.00 0.00 -0.00 0.00 0.00 57.45 57.88 3m49 n PHE 620 Cb 0.35 -2.50 0.00 0.00 -0.00 0.00 0.00 39.48 37.34 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 3.95 2.59 0.20 7.13 0.00 -1.26 -4.83 105.19 112.97 3m49 n GLY 621 Ca 0.24 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.69 -3.17 115.95 116.75 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 0.24 0.00 0.45 -3.56 0.00 0.00 178.44 175.57 3m49 h HIS 623 N 0.00 0.00 -0.02 0.49 3.86 -1.91 0.15 115.15 117.71 3m49 h HIS 623 Ca -0.00 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 3m49 h HIS 623 Cb 0.99 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.46 3m49 h HIS 623 CO 0.00 0.00 0.01 -0.09 0.86 0.00 0.00 177.93 178.71 3m49 h ARG 624 N 0.00 0.00 0.00 2.45 2.43 -1.93 -1.52 114.38 115.81 3m49 h ARG 624 Ca 0.00 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.86 3m49 h ARG 624 Cb 0.20 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.69 3m49 h ARG 624 CO 0.00 0.00 -2.16 0.66 -1.51 0.00 0.00 179.97 176.96 3m49 n TYR 625 N -4.44 0.00 0.33 2.20 4.01 -0.04 -4.60 117.16 114.62 3m49 n TYR 625 Ca -0.03 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.83 3m49 n TYR 625 Cb 0.11 -0.81 0.07 0.00 -0.31 0.00 0.00 39.34 38.40 3m49 n TYR 625 CO 0.00 0.00 0.00 -0.39 -0.46 0.00 0.00 176.86 176.01 3m49 h VAL 626 N 0.00 0.00 -1.25 -0.72 -1.51 -1.37 -3.49 116.25 107.92 3m49 h VAL 626 Ca -0.46 -0.75 0.00 0.00 -1.23 0.00 0.00 66.70 64.26 3m49 h VAL 626 Cb 1.84 1.26 0.00 0.00 -2.13 0.00 0.00 31.29 32.27 3m49 h VAL 626 CO -0.03 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.92 3m49 n GLY 627 N 1.26 -1.28 0.10 5.19 0.00 -0.57 -1.66 105.19 108.23 3m49 n GLY 627 Ca 0.01 -1.14 -0.03 0.00 0.00 0.00 0.00 46.02 44.86 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 0.00 0.00 0.99 4.07 -1.95 -3.16 115.31 115.26 3m49 h LEU 628 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3m49 h LEU 628 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 3m49 h LEU 628 CO 0.00 0.77 -0.47 -0.62 -1.08 0.00 0.00 178.44 177.04 3m49 n GLU 629 N -3.56 0.20 -0.37 1.13 1.02 -1.26 -4.93 120.64 112.87 3m49 n GLU 629 Ca -0.00 0.07 -0.00 0.00 -0.02 0.00 0.00 57.16 57.21 3m49 n GLU 629 Cb 0.76 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 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 1.38 -0.09 3.47 0.62 0.00 -0.66 -4.74 105.19 105.17 3m49 n GLY 630 Ca 0.04 -1.83 -0.10 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.07 -0.05 -0.00 1.61 2.15 -0.48 -4.91 116.67 113.92 3m49 s ASP 631 Ca 0.01 -0.90 -0.00 0.00 0.43 0.00 0.00 52.55 52.09 3m49 s ASP 631 Cb -0.00 0.52 0.01 0.00 -0.30 0.00 0.00 42.92 43.14 3m49 s ASP 631 CO 0.01 -1.02 0.01 0.54 -0.17 0.00 0.00 175.17 174.53 3m49 s VAL 632 N -4.00 -0.01 -0.52 1.11 0.11 -1.26 -1.49 120.40 114.33 3m49 s VAL 632 Ca 0.21 0.05 -0.14 0.00 -2.93 0.00 0.00 61.98 59.16 3m49 s VAL 632 Cb 0.01 -0.03 0.13 0.00 -1.53 0.00 0.00 36.38 34.96 3m49 s VAL 632 CO 0.05 0.02 0.46 -0.22 -3.33 0.00 0.00 175.10 172.09 3m49 s LEU 633 N 0.26 6.08 0.00 2.54 2.96 0.68 -4.95 118.68 126.25 3m49 s LEU 633 Ca -0.02 -1.82 0.00 0.00 -0.22 0.00 0.00 54.13 52.07 3m49 s LEU 633 Cb -0.03 -2.17 0.00 0.00 0.50 0.00 0.00 46.19 44.49 3m49 s LEU 633 CO -0.01 -0.82 0.00 0.61 -1.32 0.00 0.00 176.35 174.81 3m49 n GLY 634 N 5.17 6.24 2.71 7.98 0.00 -1.26 -1.90 105.19 124.12 3m49 n GLY 634 Ca -0.13 -1.68 -0.26 0.00 0.00 0.00 0.00 46.02 43.96 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 0.44 0.30 -0.21 -0.61 1.01 0.95 -4.85 121.20 118.23 3m49 s ILE 635 Ca 0.00 -0.26 0.14 0.00 0.00 0.00 0.00 60.65 60.53 3m49 s ILE 635 Cb 0.00 -0.76 0.48 0.00 0.01 0.00 0.00 42.46 42.19 3m49 s ILE 635 CO 0.00 -0.11 1.38 0.47 0.00 0.00 0.00 174.94 176.68 3m49 n ASP 636 N 5.14 3.04 -4.47 3.58 8.00 -1.26 -2.88 116.55 127.70 3m49 n ASP 636 Ca -0.08 -3.34 -0.27 0.00 0.71 0.00 0.00 54.79 51.82 3m49 n ASP 636 Cb 0.48 -0.56 -0.09 0.00 -0.02 0.00 0.00 41.12 40.93 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 -3.00 1.17 0.95 -3.53 -4.23 -1.26 -5.09 115.64 100.65 3m49 s THR 637 Ca 0.41 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.79 3m49 s THR 637 Cb 0.36 -2.54 0.16 0.00 1.34 0.00 0.00 72.50 71.81 3m49 s THR 637 CO 0.04 0.00 1.16 -0.36 -0.54 0.00 0.00 174.62 174.92 3m49 s PHE 638 N -3.05 2.16 0.00 3.99 0.08 -1.26 -4.96 117.98 114.93 3m49 s PHE 638 Ca 0.25 0.74 0.00 0.00 0.12 0.00 0.00 56.93 58.03 3m49 s PHE 638 Cb 0.05 -3.49 0.00 0.00 -0.57 0.00 0.00 43.02 39.01 3m49 s PHE 638 CO 0.12 -2.58 0.00 0.41 -0.10 0.00 0.00 175.22 173.08 3m49 n GLY 639 N -2.28 1.39 3.61 4.36 0.00 -1.26 -5.06 105.19 105.95 3m49 n GLY 639 Ca 0.08 -1.63 -0.10 0.00 0.00 0.00 0.00 46.02 44.38 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 -3.52 -1.46 -0.38 4.61 0.00 -1.26 -4.56 121.76 115.20 3m49 s ALA 640 Ca 0.00 0.17 -0.13 0.00 0.00 0.00 0.00 51.96 52.01 3m49 s ALA 640 Cb 0.00 0.85 0.01 0.00 0.00 0.00 0.00 23.12 23.98 3m49 s ALA 640 CO 0.00 -0.88 0.24 0.45 0.00 0.00 0.00 175.76 175.57 3m49 s SER 641 N -2.82 5.92 -0.12 0.00 0.15 -1.26 -3.94 113.70 111.63 3m49 s SER 641 Ca 0.06 -0.80 -0.33 0.00 0.70 0.00 0.00 55.95 55.57 3m49 s SER 641 Cb -0.03 -2.10 0.13 0.00 -1.71 0.00 0.00 66.02 62.32 3m49 s SER 641 CO -0.04 -0.36 1.27 0.00 1.20 0.00 0.00 173.24 175.30 3m49 s ALA 642 N 1.64 -2.18 0.29 5.45 0.00 -1.12 -4.91 121.76 120.92 3m49 s ALA 642 Ca 0.04 1.22 -0.29 0.00 0.00 0.00 0.00 51.96 52.93 3m49 s ALA 642 Cb -0.19 0.07 -0.13 0.00 0.00 0.00 0.00 23.12 22.87 3m49 s ALA 642 CO 0.09 -0.81 1.18 -2.30 0.00 0.00 0.00 175.76 173.92 3m49 n PRO 643 N -0.27 1.71 -0.30 0.00 -0.02 -1.26 -1.44 135.00 133.41 3m49 n PRO 643 Ca -0.03 0.60 -0.01 0.00 -2.02 0.00 0.00 63.50 62.04 3m49 n PRO 643 Cb 0.60 -2.10 0.17 0.00 -0.02 0.00 0.00 33.50 32.15 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 2.64 1.25 1.35 -1.23 0.00 -1.83 -1.59 103.07 103.67 3m49 h GLY 644 Ca -0.43 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 46.42 3m49 h GLY 644 CO 0.64 0.46 0.31 0.83 0.00 0.00 0.00 176.54 178.79 3m49 h GLU 645 N 1.21 0.85 -0.49 4.80 5.08 -1.89 -2.33 114.58 121.80 3m49 h GLU 645 Ca 0.33 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.54 3m49 h GLU 645 Cb -0.14 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 28.93 3m49 h GLU 645 CO -0.07 0.64 0.12 -0.22 -1.00 0.00 0.00 179.01 178.48 3m49 h LYS 646 N 0.85 0.79 -1.53 2.33 1.63 -1.66 -1.73 116.57 117.25 3m49 h LYS 646 Ca 0.21 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 3m49 h LYS 646 Cb 0.05 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.58 3m49 h LYS 646 CO -0.03 0.76 0.00 -0.89 -3.45 0.00 0.00 179.45 175.84 3m49 n ILE 647 N -4.47 0.27 0.00 2.00 5.41 -0.88 -1.07 119.36 120.63 3m49 n ILE 647 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.76 3m49 n ILE 647 Cb 0.22 -0.60 0.00 0.00 -0.71 0.00 0.00 39.64 38.56 3m49 n ILE 647 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3m49 n GLU 649 N 0.79 0.00 0.11 0.38 1.02 -0.65 -0.33 120.64 121.96 3m49 n GLU 649 Ca 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.16 3m49 n GLU 649 Cb 0.14 0.00 0.39 0.00 -0.02 0.00 0.00 31.44 31.96 3m49 n GLU 649 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3m49 h GLU 650 N 0.00 0.26 -0.18 3.49 4.39 -1.37 -1.96 114.58 119.21 3m49 h GLU 650 Ca 0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 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 0.37 0.00 0.66 -1.16 0.00 0.00 179.01 178.88 3m49 n TYR 651 N -4.29 0.24 -0.35 4.33 4.02 0.55 -4.91 117.16 116.75 3m49 n TYR 651 Ca -0.01 -0.12 0.00 0.00 -0.01 0.00 0.00 57.90 57.77 3m49 n TYR 651 Cb 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.57 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 1.03 0.82 2.83 2.72 0.00 -0.74 -4.99 105.19 106.87 3m49 n GLY 652 Ca 0.14 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.35 2.82 -4.18 1.61 3.72 -1.26 -4.48 117.46 113.33 3m49 n PHE 653 Ca 0.00 -2.77 -0.14 0.00 -0.05 0.00 0.00 57.45 54.49 3m49 n PHE 653 Cb 0.00 -1.87 -0.11 0.00 -0.94 0.00 0.00 39.48 36.57 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 -0.10 0.95 0.19 4.37 -4.23 -1.26 -4.59 115.64 110.97 3m49 s THR 654 Ca 0.40 -1.71 -0.12 0.00 -1.18 0.00 0.00 61.69 59.09 3m49 s THR 654 Cb 0.10 -1.43 0.10 0.00 1.34 0.00 0.00 72.50 72.61 3m49 s THR 654 CO 0.00 -0.60 1.76 0.58 -0.54 0.00 0.00 174.62 175.82 3m49 h VAL 655 N 3.44 0.86 -0.58 2.29 2.07 -1.90 -1.20 116.25 121.22 3m49 h VAL 655 Ca -0.37 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.05 3m49 h VAL 655 Cb 1.19 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 3m49 h VAL 655 CO 0.55 0.08 0.32 -0.08 0.02 0.00 0.00 177.57 178.45 3m49 h GLU 656 N 0.42 0.60 -0.30 1.57 4.81 -1.96 -0.00 114.58 119.70 3m49 h GLU 656 Ca 0.25 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.26 3m49 h GLU 656 Cb 0.24 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 3m49 h GLU 656 CO -0.23 0.39 -0.52 -0.97 -0.73 0.00 0.00 179.01 176.96 3m49 h ASN 657 N 0.61 0.97 -0.34 1.04 -1.24 -1.75 -1.76 115.58 113.11 3m49 h ASN 657 Ca 0.25 -0.50 0.02 0.00 0.71 0.00 0.00 56.30 56.77 3m49 h ASN 657 Cb 0.12 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 38.87 3m49 h ASN 657 CO -0.15 1.30 0.19 0.58 -1.29 0.00 0.00 177.43 178.06 3m49 h VAL 658 N 0.68 1.03 -0.17 2.57 2.07 -0.62 -1.52 116.25 120.29 3m49 h VAL 658 Ca 0.02 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.42 3m49 h VAL 658 Cb 1.12 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 3m49 h VAL 658 CO 0.12 0.07 0.07 0.58 0.02 0.00 0.00 177.57 178.43 3m49 h VAL 659 N 0.39 0.98 -0.51 2.57 2.07 -0.92 -0.61 116.25 120.23 3m49 h VAL 659 Ca 0.14 -0.06 0.07 0.00 0.82 0.00 0.00 66.70 67.67 3m49 h VAL 659 Cb 0.01 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 30.52 3m49 h VAL 659 CO -0.07 0.03 0.17 -0.09 0.02 0.00 0.00 177.57 177.63 3m49 h ARG 660 N 0.17 0.33 -0.18 1.57 2.43 -1.09 -1.17 114.38 116.45 3m49 h ARG 660 Ca 0.07 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.06 3m49 h ARG 660 Cb 0.02 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3m49 h ARG 660 CO -0.06 0.22 -0.57 0.87 -1.51 0.00 0.00 179.97 178.92 3m49 h LYS 661 N 0.34 0.55 0.01 0.20 1.57 -0.93 -2.04 116.57 116.27 3m49 h LYS 661 Ca 0.25 -0.36 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3m49 h LYS 661 Cb 0.28 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3m49 h LYS 661 CO -0.26 0.97 -0.00 0.28 -0.57 0.00 0.00 179.45 179.86 3m49 h VAL 662 N 0.42 1.04 -0.66 0.50 2.07 -0.82 -2.66 116.25 116.13 3m49 h VAL 662 Ca 0.00 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.45 3m49 h VAL 662 Cb 1.12 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 3m49 h VAL 662 CO 0.11 0.03 0.44 0.11 0.02 0.00 0.00 177.57 178.28 3m49 h LYS 663 N -0.07 0.66 -1.10 1.57 1.57 -1.14 -2.67 116.57 115.39 3m49 h LYS 663 Ca -0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3m49 h LYS 663 Cb 0.07 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3m49 h LYS 663 CO 0.00 0.44 0.00 0.39 -0.57 0.00 0.00 179.45 179.71 3m49 n GLU 664 N -4.48 0.05 0.00 3.15 1.02 -0.78 -5.11 120.64 114.50 3m49 n GLU 664 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 3m49 n GLU 664 Cb 0.22 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 3m49 n GLU 664 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59