#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bmo h GLU 2 N 0.00 0.00 -6.71 2.12 5.08 -2.03 -3.45 114.58 109.59 3bmo h GLU 2 Ca 0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 3bmo h GLU 2 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3bmo h GLU 2 CO 0.00 0.00 0.44 0.00 -1.00 0.00 0.00 179.01 178.45 3bmo s ALA 3 N -3.25 3.36 1.01 3.43 0.00 -1.26 -5.03 121.76 120.02 3bmo s ALA 3 Ca 0.04 0.78 -0.13 0.00 0.00 0.00 0.00 51.96 52.65 3bmo s ALA 3 Cb 0.10 -3.31 0.19 0.00 0.00 0.00 0.00 23.12 20.10 3bmo s ALA 3 CO 0.72 -0.09 1.10 -1.25 0.00 0.00 0.00 175.76 176.24 3bmo s PRO 4 N -0.83 0.35 0.03 0.00 0.04 -1.26 -4.75 135.00 128.58 3bmo s PRO 4 Ca 0.46 0.46 0.03 0.00 0.04 0.00 0.00 61.00 61.99 3bmo s PRO 4 Cb -0.29 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 3bmo s PRO 4 CO 0.36 -2.77 -0.09 0.00 0.04 0.00 0.00 177.00 174.53 3bmo s ALA 5 N -2.99 0.76 0.04 8.56 0.00 -1.26 -0.84 121.76 126.03 3bmo s ALA 5 Ca 0.65 -0.67 0.03 0.00 0.00 0.00 0.00 51.96 51.98 3bmo s ALA 5 Cb -0.18 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 3bmo s ALA 5 CO 0.57 0.10 -0.10 0.00 0.00 0.00 0.00 175.76 176.33 3bmo s ALA 6 N -0.91 0.81 -0.17 0.00 0.00 0.44 -0.52 121.76 121.41 3bmo s ALA 6 Ca -0.03 -0.72 -0.07 0.00 0.00 0.00 0.00 51.96 51.14 3bmo s ALA 6 Cb -0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 3bmo s ALA 6 CO 0.01 0.10 0.05 0.08 0.00 0.00 0.00 175.76 176.00 3bmo s VAL 7 N -0.99 4.69 -0.17 0.00 1.01 -0.10 -0.66 120.40 124.18 3bmo s VAL 7 Ca -0.03 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.88 3bmo s VAL 7 Cb -0.08 -3.10 0.02 0.00 0.00 0.00 0.00 36.38 33.22 3bmo s VAL 7 CO 0.01 0.47 -0.16 -0.69 0.00 0.00 0.00 175.10 174.73 3bmo s VAL 8 N 0.28 1.76 0.36 2.92 1.01 -0.75 -0.48 120.40 125.50 3bmo s VAL 8 Ca 0.03 -0.80 -0.22 0.00 0.00 0.00 0.00 61.98 60.99 3bmo s VAL 8 Cb -0.12 -1.65 -0.10 0.00 0.00 0.00 0.00 36.38 34.50 3bmo s VAL 8 CO 0.01 0.45 0.90 0.42 0.00 0.00 0.00 175.10 176.87 3bmo s THR 9 N 1.40 4.38 -1.31 3.92 -4.23 -0.68 -1.90 115.64 117.22 3bmo s THR 9 Ca 0.04 1.53 -0.06 0.00 -1.18 0.00 0.00 61.69 62.02 3bmo s THR 9 Cb -0.13 -3.78 0.01 0.00 1.34 0.00 0.00 72.50 69.94 3bmo s THR 9 CO -0.11 -0.08 1.09 0.61 -0.54 0.00 0.00 174.62 175.59 3bmo n GLY 10 N -0.03 -0.47 0.60 3.99 0.00 -1.05 -2.84 105.19 105.39 3bmo n GLY 10 Ca 0.04 0.20 0.13 0.00 0.00 0.00 0.00 46.02 46.39 3bmo n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bmo n ALA 11 N -4.66 2.60 0.07 4.61 0.00 -0.18 -4.14 120.51 118.81 3bmo n ALA 11 Ca -0.10 -0.52 -0.04 0.00 0.00 0.00 0.00 53.44 52.78 3bmo n ALA 11 Cb 0.60 -1.05 0.17 0.00 0.00 0.00 0.00 19.45 19.17 3bmo n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bmo h ALA 12 N 4.40 0.99 -2.31 0.00 0.00 -1.88 -2.88 119.26 117.57 3bmo h ALA 12 Ca 0.00 -0.45 -0.23 0.00 0.00 0.00 0.00 54.91 54.23 3bmo h ALA 12 Cb 0.65 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.20 3bmo h ALA 12 CO 0.00 0.63 -0.67 0.15 0.00 0.00 0.00 179.25 179.37 3bmo s LYS 13 N -4.07 0.96 6.77 0.00 1.02 -1.26 -4.51 119.74 118.65 3bmo s LYS 13 Ca -0.05 -1.44 0.00 0.00 0.02 0.00 0.00 55.97 54.50 3bmo s LYS 13 Cb 0.13 -0.06 0.00 0.00 -0.52 0.00 0.00 37.83 37.38 3bmo s LYS 13 CO 0.79 -0.15 0.00 0.54 -0.92 0.00 0.00 175.35 175.61 3bmo n ARG 14 N -0.13 0.00 -0.12 1.68 1.74 -1.26 -1.96 116.66 116.61 3bmo n ARG 14 Ca -0.08 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.89 3bmo n ARG 14 Cb 0.63 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 32.04 3bmo n ARG 14 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3bmo h ILE 15 N 0.00 1.28 -0.85 0.55 2.04 -1.91 -2.22 117.51 116.40 3bmo h ILE 15 Ca 0.00 -1.14 0.03 0.00 1.00 0.00 0.00 64.86 64.75 3bmo h ILE 15 Cb 0.00 1.32 -0.05 0.00 -0.74 0.00 0.00 36.82 37.35 3bmo h ILE 15 CO 0.00 0.37 0.55 1.23 0.00 0.00 0.00 178.15 180.30 3bmo h GLY 16 N 0.45 1.23 0.98 5.37 0.00 -1.68 -0.75 103.07 108.66 3bmo h GLY 16 Ca 0.09 -0.42 0.01 0.00 0.00 0.00 0.00 47.33 47.01 3bmo h GLY 16 CO 0.03 0.36 0.16 -0.09 0.00 0.00 0.00 176.54 177.00 3bmo h ARG 17 N 1.06 0.32 -0.46 4.80 2.43 -1.16 -0.34 114.38 121.02 3bmo h ARG 17 Ca 0.34 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.45 3bmo h ARG 17 Cb 0.00 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3bmo h ARG 17 CO -0.11 0.21 0.12 0.00 -1.51 0.00 0.00 179.97 178.67 3bmo h ALA 18 N 1.10 1.34 0.09 2.80 0.00 -0.77 -0.70 119.26 123.11 3bmo h ALA 18 Ca 0.10 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3bmo h ALA 18 Cb -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3bmo h ALA 18 CO -0.03 0.47 -0.04 0.82 0.00 0.00 0.00 179.25 180.47 3bmo h ILE 19 N 0.68 1.03 -0.61 0.00 2.04 -0.86 -1.05 117.51 118.74 3bmo h ILE 19 Ca 0.15 -0.43 0.10 0.00 1.00 0.00 0.00 64.86 65.68 3bmo h ILE 19 Cb 0.25 1.30 -0.07 0.00 -0.74 0.00 0.00 36.82 37.56 3bmo h ILE 19 CO -0.00 0.11 0.21 0.00 0.00 0.00 0.00 178.15 178.46 3bmo h ALA 20 N 0.57 0.77 -0.31 1.87 0.00 -0.80 -0.03 119.26 121.34 3bmo h ALA 20 Ca -0.01 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3bmo h ALA 20 Cb 0.27 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3bmo h ALA 20 CO 0.02 -0.21 0.12 0.28 0.00 0.00 0.00 179.25 179.46 3bmo h VAL 21 N 0.38 1.18 -0.46 0.00 2.07 -1.00 -0.74 116.25 117.68 3bmo h VAL 21 Ca 0.31 -0.56 -0.11 0.00 0.82 0.00 0.00 66.70 67.16 3bmo h VAL 21 Cb 0.39 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3bmo h VAL 21 CO -0.32 0.19 -0.14 0.50 0.02 0.00 0.00 177.57 177.83 3bmo h LYS 22 N 0.35 0.87 -0.35 1.57 3.64 -0.88 0.16 116.57 121.92 3bmo h LYS 22 Ca 0.10 -0.31 -0.00 0.00 -1.27 0.00 0.00 60.65 59.16 3bmo h LYS 22 Cb 0.19 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 3bmo h LYS 22 CO -0.01 0.95 0.20 -0.07 -2.27 0.00 0.00 179.45 178.25 3bmo h LEU 23 N 0.77 0.44 -0.42 5.20 3.38 -0.89 -0.98 115.31 122.82 3bmo h LEU 23 Ca 0.12 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3bmo h LEU 23 Cb 0.65 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3bmo h LEU 23 CO 0.05 0.38 0.28 -0.74 0.09 0.00 0.00 178.44 178.50 3bmo h HIS 24 N 0.45 0.52 -0.07 1.13 2.76 -0.74 -1.40 115.15 117.80 3bmo h HIS 24 Ca 0.13 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.33 3bmo h HIS 24 Cb 0.04 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 28.82 3bmo h HIS 24 CO -0.03 0.33 0.05 1.96 -1.30 0.00 0.00 177.93 178.94 3bmo h GLN 25 N 0.56 0.00 0.00 5.26 4.20 -0.36 -1.69 115.11 123.08 3bmo h GLN 25 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3bmo h GLN 25 Cb -0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.72 3bmo h GLN 25 CO -0.04 0.00 -0.05 2.41 -0.67 0.00 0.00 178.83 180.48 3bmo n THR 26 N -4.36 0.22 0.00 -0.54 -1.04 -0.40 -4.91 114.28 103.25 3bmo n THR 26 Ca -0.01 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 3bmo n THR 26 Cb 0.16 -0.48 0.00 0.00 -1.82 0.00 0.00 70.33 68.19 3bmo n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3bmo n GLY 27 N 1.43 1.10 3.82 3.41 0.00 -0.64 -5.08 105.19 109.23 3bmo n GLY 27 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 3bmo n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bmo s TYR 28 N -2.00 3.33 0.21 1.61 1.51 -0.59 -4.37 117.35 117.04 3bmo s TYR 28 Ca 0.00 1.59 -0.16 0.00 -1.01 0.00 0.00 57.07 57.48 3bmo s TYR 28 Cb 0.00 -2.83 -0.08 0.00 -0.11 0.00 0.00 41.96 38.94 3bmo s TYR 28 CO 0.00 -0.08 0.65 1.03 -1.11 0.00 0.00 175.55 176.04 3bmo s ARG 29 N -3.10 4.09 -0.02 -0.62 0.52 -0.02 -4.13 118.95 115.66 3bmo s ARG 29 Ca 0.61 0.66 0.04 0.00 -0.52 0.00 0.00 55.73 56.51 3bmo s ARG 29 Cb -0.10 -2.83 -0.00 0.00 0.52 0.00 0.00 34.95 32.54 3bmo s ARG 29 CO 0.14 0.39 -0.13 0.08 0.02 0.00 0.00 175.30 175.80 3bmo s VAL 30 N -1.58 1.04 -0.34 3.52 1.01 0.30 -0.42 120.40 123.94 3bmo s VAL 30 Ca 0.43 -0.53 -0.15 0.00 0.00 0.00 0.00 61.98 61.72 3bmo s VAL 30 Cb -0.15 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.33 3bmo s VAL 30 CO 0.20 0.30 0.38 -0.69 0.00 0.00 0.00 175.10 175.29 3bmo s VAL 31 N -0.08 5.15 -0.73 2.92 1.01 0.16 -1.63 120.40 127.21 3bmo s VAL 31 Ca 0.01 0.13 -0.19 0.00 0.00 0.00 0.00 61.98 61.93 3bmo s VAL 31 Cb -0.08 -3.82 0.12 0.00 0.00 0.00 0.00 36.38 32.60 3bmo s VAL 31 CO 0.00 -0.08 0.86 -0.63 0.00 0.00 0.00 175.10 175.26 3bmo s ILE 32 N 2.06 4.85 0.30 2.22 1.01 0.42 -1.81 121.20 130.25 3bmo s ILE 32 Ca 0.13 -1.29 -0.27 0.00 0.00 0.00 0.00 60.65 59.22 3bmo s ILE 32 Cb -0.16 -4.59 -0.10 0.00 0.01 0.00 0.00 42.46 37.62 3bmo s ILE 32 CO 0.12 -1.26 0.95 -2.28 0.00 0.00 0.00 174.94 172.47 3bmo s HIS 33 N 2.50 3.75 0.17 3.97 5.65 -0.80 -1.44 115.29 129.08 3bmo s HIS 33 Ca 0.20 1.81 -0.10 0.00 0.25 0.00 0.00 55.06 57.22 3bmo s HIS 33 Cb -0.16 -2.96 -0.00 0.00 -1.18 0.00 0.00 32.58 28.27 3bmo s HIS 33 CO 0.00 0.21 0.31 1.52 -0.65 0.00 0.00 174.74 176.13 3bmo s TYR 34 N -1.48 0.32 0.00 3.88 1.13 -0.70 -1.02 117.35 119.49 3bmo s TYR 34 Ca 0.48 -0.69 0.00 0.00 -1.41 0.00 0.00 57.07 55.45 3bmo s TYR 34 Cb -0.21 0.00 0.00 0.00 -1.10 0.00 0.00 41.96 40.65 3bmo s TYR 34 CO 0.27 -0.74 0.00 1.58 -2.51 0.00 0.00 175.55 174.15 3bmo n HIS 35 N -0.23 0.00 0.11 -3.49 -0.00 -1.26 -0.90 115.22 109.45 3bmo n HIS 35 Ca -0.08 0.00 0.09 0.00 0.46 0.00 0.00 57.72 58.19 3bmo n HIS 35 Cb 0.63 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 30.36 3bmo n HIS 35 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 3bmo n ASN 36 N -2.33 0.79 -3.65 0.26 3.02 -1.26 -4.73 115.26 107.35 3bmo n ASN 36 Ca 0.00 -0.12 -0.41 0.00 -0.03 0.00 0.00 54.58 54.01 3bmo n ASN 36 Cb 0.00 1.73 0.01 0.00 -0.61 0.00 0.00 39.78 40.91 3bmo n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3bmo n SER 37 N -2.04 7.19 -0.11 6.41 7.64 -1.26 -4.77 113.62 126.68 3bmo n SER 37 Ca -0.02 -3.33 -0.09 0.00 1.01 0.00 0.00 58.87 56.43 3bmo n SER 37 Cb 0.45 -1.31 -0.02 0.00 -1.01 0.00 0.00 64.21 62.32 3bmo n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bmo h ALA 38 N 4.77 0.44 -0.50 -0.43 0.00 -1.97 -1.02 119.26 120.54 3bmo h ALA 38 Ca 0.55 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.37 3bmo h ALA 38 Cb 0.40 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3bmo h ALA 38 CO 1.40 0.01 0.30 1.49 0.00 0.00 0.00 179.25 182.45 3bmo h GLU 39 N 0.41 0.59 -0.52 0.00 4.81 -1.99 0.07 114.58 117.94 3bmo h GLU 39 Ca 0.12 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.20 3bmo h GLU 39 Cb 0.13 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3bmo h GLU 39 CO -0.01 0.39 -0.11 0.00 -0.73 0.00 0.00 179.01 178.54 3bmo h ALA 40 N 1.22 0.82 -0.34 2.92 0.00 -1.87 -0.67 119.26 121.35 3bmo h ALA 40 Ca 0.20 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3bmo h ALA 40 Cb 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3bmo h ALA 40 CO -0.09 0.66 0.17 0.00 0.00 0.00 0.00 179.25 179.99 3bmo h ALA 41 N 0.99 0.43 -0.69 0.00 0.00 -0.77 -1.58 119.26 117.65 3bmo h ALA 41 Ca 0.14 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3bmo h ALA 41 Cb 0.66 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3bmo h ALA 41 CO 0.05 -0.01 0.14 0.28 0.00 0.00 0.00 179.25 179.71 3bmo h VAL 42 N 0.41 1.26 -0.61 0.00 2.07 -0.88 -0.87 116.25 117.62 3bmo h VAL 42 Ca 0.12 -1.00 0.02 0.00 0.82 0.00 0.00 66.70 66.65 3bmo h VAL 42 Cb 0.11 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 3bmo h VAL 42 CO -0.02 0.38 0.38 -1.28 0.02 0.00 0.00 177.57 177.06 3bmo h SER 43 N 1.05 0.63 -0.12 0.57 0.87 -0.96 0.62 113.55 116.22 3bmo h SER 43 Ca 0.21 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 3bmo h SER 43 Cb 0.41 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.22 3bmo h SER 43 CO 0.01 0.45 0.04 0.25 -0.53 0.00 0.00 176.83 177.04 3bmo h LEU 44 N 0.76 0.16 -0.44 2.23 5.85 -0.96 -1.32 115.31 121.59 3bmo h LEU 44 Ca 0.24 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.82 3bmo h LEU 44 Cb -0.00 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 3bmo h LEU 44 CO -0.09 0.31 0.20 0.00 -0.34 0.00 0.00 178.44 178.52 3bmo h ALA 45 N 0.87 0.54 -0.90 1.25 0.00 -0.77 -0.19 119.26 120.07 3bmo h ALA 45 Ca 0.04 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3bmo h ALA 45 Cb 0.20 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3bmo h ALA 45 CO -0.00 -0.16 0.59 -0.44 0.00 0.00 0.00 179.25 179.24 3bmo h ASP 46 N 0.41 1.04 -0.35 0.00 3.32 -0.78 0.91 116.42 120.96 3bmo h ASP 46 Ca 0.19 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 3bmo h ASP 46 Cb 0.12 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3bmo h ASP 46 CO -0.15 0.76 0.10 -0.33 -1.72 0.00 0.00 179.24 177.90 3bmo h GLU 47 N 1.22 0.55 -0.51 3.56 5.08 -0.53 -1.11 114.58 122.84 3bmo h GLU 47 Ca 0.33 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.46 3bmo h GLU 47 Cb -0.13 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 3bmo h GLU 47 CO -0.07 0.58 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.35 3bmo h LEU 48 N 0.42 0.94 -1.09 1.33 3.38 -0.69 -2.40 115.31 117.20 3bmo h LEU 48 Ca 0.11 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 3bmo h LEU 48 Cb 0.27 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3bmo h LEU 48 CO -0.00 1.05 -0.39 0.78 0.09 0.00 0.00 178.44 179.97 3bmo h ASN 49 N 0.85 0.00 -0.63 -0.43 2.35 -0.73 -1.00 115.58 115.99 3bmo h ASN 49 Ca 0.14 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 3bmo h ASN 49 Cb 0.64 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.98 3bmo h ASN 49 CO 0.04 0.39 0.34 0.50 -1.65 0.00 0.00 177.43 177.05 3bmo h LYS 50 N 0.00 0.88 0.06 0.81 3.64 -0.96 -2.71 116.57 118.30 3bmo h LYS 50 Ca -0.00 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3bmo h LYS 50 Cb 0.81 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3bmo h LYS 50 CO 0.05 0.68 -0.03 1.49 -2.27 0.00 0.00 179.45 179.37 3bmo h GLU 51 N 0.86 -0.08 -3.08 1.90 4.57 -0.92 -3.43 114.58 114.39 3bmo h GLU 51 Ca 0.22 0.01 -0.34 0.00 -1.18 0.00 0.00 59.36 58.06 3bmo h GLU 51 Cb 0.06 0.02 -0.37 0.00 -0.16 0.00 0.00 28.75 28.29 3bmo h GLU 51 CO -0.03 0.11 -0.68 1.03 -1.18 0.00 0.00 179.01 178.26 3bmo s ARG 52 N -5.44 0.02 0.37 1.92 0.52 -0.43 -5.13 118.95 110.80 3bmo s ARG 52 Ca -0.14 0.37 -0.28 0.00 -0.52 0.00 0.00 55.73 55.16 3bmo s ARG 52 Cb 0.04 -0.69 -0.11 0.00 0.52 0.00 0.00 34.95 34.71 3bmo s ARG 52 CO 0.65 -0.41 1.43 0.43 0.02 0.00 0.00 175.30 177.42 3bmo n SER 53 N 5.31 3.50 -3.12 0.23 7.64 -1.03 -3.20 113.62 122.95 3bmo n SER 53 Ca -0.05 1.22 -0.20 0.00 1.01 0.00 0.00 58.87 60.85 3bmo n SER 53 Cb 0.50 -1.59 0.07 0.00 -1.01 0.00 0.00 64.21 62.18 3bmo n SER 53 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3bmo n ASN 54 N 0.49 -5.59 -0.03 6.43 5.03 -1.26 -4.91 115.26 115.42 3bmo n ASN 54 Ca 0.02 -0.46 0.00 0.00 0.87 0.00 0.00 54.58 55.02 3bmo n ASN 54 Cb 0.38 -4.34 0.00 0.00 -1.02 0.00 0.00 39.78 34.80 3bmo n ASN 54 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 3bmo n THR 55 N -4.59 0.02 -3.83 3.41 -2.24 -1.19 -5.03 114.28 100.83 3bmo n THR 55 Ca -0.00 -0.51 -0.12 0.00 -2.27 0.00 0.00 64.05 61.14 3bmo n THR 55 Cb 0.55 1.00 -0.13 0.00 -2.10 0.00 0.00 70.33 69.66 3bmo n THR 55 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bmo s ALA 56 N -0.09 -0.25 0.10 6.98 0.00 -1.26 -0.54 121.76 126.71 3bmo s ALA 56 Ca 0.01 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.30 3bmo s ALA 56 Cb 0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 3bmo s ALA 56 CO 0.01 -0.06 -0.03 0.14 0.00 0.00 0.00 175.76 175.82 3bmo s VAL 57 N 0.18 0.47 0.18 0.00 -7.23 -0.64 -4.91 120.40 108.44 3bmo s VAL 57 Ca -0.01 -1.90 0.07 0.00 -1.81 0.00 0.00 61.98 58.33 3bmo s VAL 57 Cb -0.02 -1.73 -0.04 0.00 0.56 0.00 0.00 36.38 35.15 3bmo s VAL 57 CO -0.00 -0.81 0.04 0.68 -0.31 0.00 0.00 175.10 174.69 3bmo s VAL 58 N -3.78 3.90 -0.16 1.32 -7.23 -1.26 -0.43 120.40 112.77 3bmo s VAL 58 Ca 0.13 -1.38 -0.04 0.00 -1.81 0.00 0.00 61.98 58.88 3bmo s VAL 58 Cb 0.07 -2.99 0.07 0.00 0.56 0.00 0.00 36.38 34.09 3bmo s VAL 58 CO -0.05 -0.14 0.21 0.00 -0.31 0.00 0.00 175.10 174.81 3bmo s GLN 60 N 2.33 4.42 -0.23 0.00 -0.44 -1.26 -1.72 119.66 122.75 3bmo s GLN 60 Ca 0.05 0.93 -0.27 0.00 -2.50 0.00 0.00 55.36 53.57 3bmo s GLN 60 Cb -0.14 -3.34 0.10 0.00 -1.64 0.00 0.00 33.01 27.99 3bmo s GLN 60 CO -0.10 0.36 0.90 0.00 0.50 0.00 0.00 175.29 176.95 3bmo s ALA 61 N -0.25 -1.89 0.02 1.58 0.00 -0.08 -4.95 121.76 116.20 3bmo s ALA 61 Ca 0.35 1.81 -0.25 0.00 0.00 0.00 0.00 51.96 53.87 3bmo s ALA 61 Cb -0.20 -1.08 -0.05 0.00 0.00 0.00 0.00 23.12 21.79 3bmo s ALA 61 CO 0.21 -0.29 0.78 0.34 0.00 0.00 0.00 175.76 176.79 3bmo s ASP 62 N -0.11 7.19 0.00 0.00 -1.08 -1.26 -4.21 116.67 117.20 3bmo s ASP 62 Ca -0.00 1.42 0.15 0.00 -0.52 0.00 0.00 52.55 53.60 3bmo s ASP 62 Cb -0.04 -2.47 0.39 0.00 -1.46 0.00 0.00 42.92 39.34 3bmo s ASP 62 CO -0.01 -0.03 1.31 0.18 0.52 0.00 0.00 175.17 177.13 3bmo n LEU 63 N 3.08 3.16 -4.65 -1.34 4.77 -1.26 -4.95 117.00 115.81 3bmo n LEU 63 Ca -0.01 -1.87 -0.44 0.00 -0.03 0.00 0.00 56.01 53.65 3bmo n LEU 63 Cb 0.50 -0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 3bmo n LEU 63 CO 0.48 0.77 0.82 0.41 -1.33 0.00 0.00 177.39 178.54 3bmo n THR 64 N 0.91 1.68 -1.95 -5.08 -1.04 -1.26 -3.10 114.28 104.44 3bmo n THR 64 Ca 0.15 -0.42 -0.41 0.00 -2.04 0.00 0.00 64.05 61.33 3bmo n THR 64 Cb 0.48 -1.34 -0.01 0.00 -1.82 0.00 0.00 70.33 67.64 3bmo n THR 64 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3bmo s ASN 65 N -0.22 6.56 0.08 8.00 2.47 -0.18 -4.72 114.94 126.93 3bmo s ASN 65 Ca 0.60 2.83 -0.26 0.00 0.42 0.00 0.00 52.86 56.46 3bmo s ASN 65 Cb -0.64 -2.65 0.09 0.00 -1.45 0.00 0.00 41.25 36.60 3bmo s ASN 65 CO 0.58 -0.73 1.16 -0.94 -3.72 0.00 0.00 177.10 173.44 3bmo s SER 66 N -0.03 -0.01 0.10 -4.21 1.04 -1.26 -4.84 113.70 104.48 3bmo s SER 66 Ca 0.55 -0.42 0.22 0.00 0.48 0.00 0.00 55.95 56.78 3bmo s SER 66 Cb -0.43 0.33 0.88 0.00 0.10 0.00 0.00 66.02 66.89 3bmo s SER 66 CO 0.53 -0.64 1.68 0.59 0.98 0.00 0.00 173.24 176.38 3bmo n ASN 67 N -1.03 0.30 -0.29 7.02 3.02 -1.26 -2.39 115.26 120.63 3bmo n ASN 67 Ca -0.01 0.56 0.11 0.00 -0.03 0.00 0.00 54.58 55.21 3bmo n ASN 67 Cb 0.60 -0.63 0.10 0.00 -0.61 0.00 0.00 39.78 39.23 3bmo n ASN 67 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3bmo n VAL 68 N -1.82 0.00 -0.25 2.41 0.24 -1.26 -4.52 118.33 113.14 3bmo n VAL 68 Ca 0.04 -0.15 -0.01 0.00 -2.04 0.00 0.00 64.34 62.18 3bmo n VAL 68 Cb 0.26 0.89 0.11 0.00 -1.47 0.00 0.00 33.84 33.64 3bmo n VAL 68 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 3bmo h LEU 69 N 1.43 0.58 -0.65 1.34 5.85 -1.76 -0.70 115.31 121.40 3bmo h LEU 69 Ca 0.00 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.83 3bmo h LEU 69 Cb 0.62 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 3bmo h LEU 69 CO 0.00 0.36 0.33 -0.65 -0.34 0.00 0.00 178.44 178.14 3bmo h PRO 70 N 0.71 0.57 -0.61 5.25 0.11 -1.79 0.64 132.00 136.87 3bmo h PRO 70 Ca 0.32 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.37 3bmo h PRO 70 Cb 0.22 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.18 3bmo h PRO 70 CO -0.20 0.38 0.29 0.00 -0.21 0.00 0.00 178.00 178.26 3bmo h ALA 71 N 1.38 0.79 -0.51 -0.75 0.00 -1.63 -0.84 119.26 117.70 3bmo h ALA 71 Ca 0.31 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3bmo h ALA 71 Cb 0.27 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3bmo h ALA 71 CO -0.23 0.36 0.28 0.77 0.00 0.00 0.00 179.25 180.43 3bmo h SER 72 N 0.84 0.43 -0.53 0.00 0.02 -0.45 -1.00 113.55 112.85 3bmo h SER 72 Ca 0.21 0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 61.06 3bmo h SER 72 Cb 0.12 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 3bmo h SER 72 CO -0.03 0.30 -0.11 0.00 -1.14 0.00 0.00 176.83 175.86 3bmo h GLU 74 N 0.89 0.98 -0.33 0.00 4.81 -0.92 -2.56 114.58 117.45 3bmo h GLU 74 Ca 0.14 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.21 3bmo h GLU 74 Cb 0.68 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 3bmo h GLU 74 CO 0.05 0.65 -0.21 0.93 -0.73 0.00 0.00 179.01 179.69 3bmo h GLU 75 N 1.01 0.63 -0.18 1.92 4.39 -0.85 -0.27 114.58 121.23 3bmo h GLU 75 Ca 0.39 -0.24 -0.00 0.00 0.34 0.00 0.00 59.36 59.85 3bmo h GLU 75 Cb 0.19 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 3bmo h GLU 75 CO -0.18 0.80 0.10 0.82 -1.16 0.00 0.00 179.01 179.39 3bmo h ILE 76 N 0.56 1.11 -0.37 3.13 2.04 -0.98 0.12 117.51 123.12 3bmo h ILE 76 Ca 0.08 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 3bmo h ILE 76 Cb 0.67 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 3bmo h ILE 76 CO 0.05 0.10 0.19 0.40 0.00 0.00 0.00 178.15 178.89 3bmo h ILE 77 N 0.18 1.16 -0.87 -0.67 1.08 -1.34 -2.54 117.51 114.51 3bmo h ILE 77 Ca 0.06 -0.43 0.07 0.00 -0.39 0.00 0.00 64.86 64.18 3bmo h ILE 77 Cb 0.08 0.76 -0.06 0.00 -3.07 0.00 0.00 36.82 34.53 3bmo h ILE 77 CO -0.01 0.16 0.57 0.78 -0.69 0.00 0.00 178.15 178.96 3bmo h ASN 78 N 0.47 0.85 -0.75 1.72 2.35 -0.81 -1.29 115.58 118.12 3bmo h ASN 78 Ca 0.13 0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.91 3bmo h ASN 78 Cb 0.09 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.24 3bmo h ASN 78 CO -0.02 0.54 0.49 0.28 -1.65 0.00 0.00 177.43 177.07 3bmo h SER 79 N 0.96 0.81 -0.22 5.81 0.02 -0.32 0.29 113.55 120.89 3bmo h SER 79 Ca 0.38 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.29 3bmo h SER 79 Cb 0.24 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 3bmo h SER 79 CO -0.14 0.56 0.05 0.00 -1.14 0.00 0.00 176.83 176.16 3bmo h PHE 81 N 0.17 1.11 -0.73 0.00 0.04 -1.09 -0.03 116.94 116.41 3bmo h PHE 81 Ca 0.07 -0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.78 3bmo h PHE 81 Cb 0.28 -0.36 -0.03 0.00 2.20 0.00 0.00 35.95 38.04 3bmo h PHE 81 CO 0.01 0.74 0.26 0.00 -0.60 0.00 0.00 178.31 178.72 3bmo h ARG 82 N 1.15 1.12 -0.01 1.51 3.08 -0.35 0.89 114.38 121.77 3bmo h ARG 82 Ca 0.30 -0.23 -0.22 0.00 0.07 0.00 0.00 59.98 59.90 3bmo h ARG 82 Cb -0.04 -0.17 0.02 0.00 0.08 0.00 0.00 29.97 29.85 3bmo h ARG 82 CO -0.06 0.94 -0.86 0.00 -1.07 0.00 0.00 179.97 178.93 3bmo h ALA 83 N 1.13 0.12 0.00 0.04 0.00 -1.10 -3.41 119.26 116.04 3bmo h ALA 83 Ca 0.24 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3bmo h ALA 83 Cb 0.27 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3bmo h ALA 83 CO -0.01 0.56 0.00 1.19 0.00 0.00 0.00 179.25 180.99 3bmo n PHE 84 N -4.00 0.00 -1.00 0.00 3.72 -0.04 -5.03 117.46 111.11 3bmo n PHE 84 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 3bmo n PHE 84 Cb 0.79 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.33 3bmo n PHE 84 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3bmo n GLY 85 N 0.35 0.69 3.59 1.37 0.00 0.30 -4.32 105.19 107.18 3bmo n GLY 85 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3bmo n GLY 85 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3bmo s ARG 86 N -0.00 0.80 -0.27 1.61 1.70 -1.26 -4.94 118.95 116.58 3bmo s ARG 86 Ca 0.00 -0.35 -0.01 0.00 -0.47 0.00 0.00 55.73 54.90 3bmo s ARG 86 Cb 0.00 0.33 0.13 0.00 -0.57 0.00 0.00 34.95 34.84 3bmo s ARG 86 CO 0.00 -0.35 0.32 0.00 -1.08 0.00 0.00 175.30 174.18 3bmo n ASP 88 N 5.33 0.67 -3.90 0.00 9.92 0.32 -4.97 116.55 123.91 3bmo n ASP 88 Ca -0.02 0.30 -0.15 0.00 -0.53 0.00 0.00 54.79 54.38 3bmo n ASP 88 Cb 0.48 0.20 -0.15 0.00 -0.64 0.00 0.00 41.12 41.01 3bmo n ASP 88 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3bmo s VAL 89 N -2.57 0.24 -0.12 2.53 1.01 -0.93 -1.64 120.40 118.92 3bmo s VAL 89 Ca -0.07 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.84 3bmo s VAL 89 Cb 0.07 -0.24 0.01 0.00 0.00 0.00 0.00 36.38 36.23 3bmo s VAL 89 CO 0.82 0.09 -0.17 -0.22 0.00 0.00 0.00 175.10 175.62 3bmo s LEU 90 N 0.17 1.82 -0.28 3.92 2.96 -0.91 -0.92 118.68 125.45 3bmo s LEU 90 Ca -0.01 -0.48 -0.04 0.00 -0.22 0.00 0.00 54.13 53.38 3bmo s LEU 90 Cb -0.04 -1.20 0.02 0.00 0.50 0.00 0.00 46.19 45.48 3bmo s LEU 90 CO -0.00 0.02 0.00 -0.69 -1.32 0.00 0.00 176.35 174.36 3bmo s VAL 91 N 1.00 3.29 -0.87 1.68 1.01 0.36 -0.87 120.40 126.01 3bmo s VAL 91 Ca -0.05 -0.98 -0.18 0.00 0.00 0.00 0.00 61.98 60.77 3bmo s VAL 91 Cb -0.15 -2.72 0.14 0.00 0.00 0.00 0.00 36.38 33.66 3bmo s VAL 91 CO -0.03 0.10 1.01 0.20 0.00 0.00 0.00 175.10 176.38 3bmo s ASN 92 N 1.37 6.60 -0.15 3.32 0.01 0.16 -1.68 114.94 124.57 3bmo s ASN 92 Ca 0.00 -2.07 0.05 0.00 -0.71 0.00 0.00 52.86 50.12 3bmo s ASN 92 Cb -0.17 -2.35 -0.12 0.00 0.41 0.00 0.00 41.25 39.01 3bmo s ASN 92 CO -0.01 -0.99 -0.08 -3.20 -1.51 0.00 0.00 177.10 171.31 3bmo n ASN 93 N 6.06 2.46 -4.64 -1.22 5.15 -1.25 -1.14 115.26 120.68 3bmo n ASN 93 Ca 0.18 -0.06 -0.44 0.00 -0.60 0.00 0.00 54.58 53.66 3bmo n ASN 93 Cb 0.48 0.10 -0.01 0.00 -0.53 0.00 0.00 39.78 39.82 3bmo n ASN 93 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3bmo n ALA 94 N -2.80 0.45 -3.60 5.20 0.00 -1.13 -4.90 120.51 113.72 3bmo n ALA 94 Ca -0.26 0.38 -0.03 0.00 0.00 0.00 0.00 53.44 53.53 3bmo n ALA 94 Cb 0.84 -2.12 -0.06 0.00 0.00 0.00 0.00 19.45 18.11 3bmo n ALA 94 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3bmo s SER 95 N -0.44 -0.77 0.16 0.00 0.15 -1.26 -4.49 113.70 107.04 3bmo s SER 95 Ca 0.57 1.16 -0.27 0.00 0.70 0.00 0.00 55.95 58.11 3bmo s SER 95 Cb -0.64 1.53 -0.08 0.00 -1.71 0.00 0.00 66.02 65.12 3bmo s SER 95 CO 0.61 -0.18 0.84 0.00 1.20 0.00 0.00 173.24 175.71 3bmo s ALA 96 N 1.89 3.39 -0.23 5.45 0.00 -1.26 -5.05 121.76 125.94 3bmo s ALA 96 Ca -0.08 0.44 -0.03 0.00 0.00 0.00 0.00 51.96 52.29 3bmo s ALA 96 Cb -0.06 -3.06 0.11 0.00 0.00 0.00 0.00 23.12 20.11 3bmo s ALA 96 CO -0.18 0.20 0.27 0.12 0.00 0.00 0.00 175.76 176.17 3bmo s PHE 97 N -0.83 -0.43 0.01 0.00 5.36 -1.26 -4.86 117.98 115.97 3bmo s PHE 97 Ca 0.39 0.29 -0.28 0.00 -0.96 0.00 0.00 56.93 56.37 3bmo s PHE 97 Cb -0.23 -0.29 0.09 0.00 -0.34 0.00 0.00 43.02 42.25 3bmo s PHE 97 CO 0.28 -0.68 0.81 1.52 -1.46 0.00 0.00 175.22 175.68 3bmo s TYR 98 N 2.38 -0.43 0.47 10.12 -0.85 -1.26 -5.16 117.35 122.61 3bmo s TYR 98 Ca 0.09 0.40 -0.22 0.00 -0.52 0.00 0.00 57.07 56.82 3bmo s TYR 98 Cb -0.15 0.52 -0.08 0.00 0.38 0.00 0.00 41.96 42.63 3bmo s TYR 98 CO -0.16 -0.60 1.12 -1.25 -1.52 0.00 0.00 175.55 173.13 3bmo s PRO 99 N -2.79 3.76 -0.46 -3.49 0.04 -1.26 -4.73 135.00 126.07 3bmo s PRO 99 Ca 0.01 1.63 0.05 0.00 0.04 0.00 0.00 61.00 62.74 3bmo s PRO 99 Cb -0.01 -2.31 0.19 0.00 0.04 0.00 0.00 34.50 32.41 3bmo s PRO 99 CO -0.06 -0.51 0.43 0.25 0.04 0.00 0.00 177.00 177.14 3bmo n THR 100 N -0.63 -0.51 -1.76 1.26 -2.24 0.95 -4.99 114.28 106.36 3bmo n THR 100 Ca 0.08 -3.86 -0.40 0.00 -2.27 0.00 0.00 64.05 57.60 3bmo n THR 100 Cb 0.50 -1.82 0.02 0.00 -2.10 0.00 0.00 70.33 66.93 3bmo n THR 100 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3bmo n PRO 101 N 2.27 2.15 0.10 -0.78 -0.02 -1.22 -4.39 135.00 133.11 3bmo n PRO 101 Ca 0.27 0.77 -0.04 0.00 -2.02 0.00 0.00 63.50 62.47 3bmo n PRO 101 Cb 0.47 -2.63 0.12 0.00 -0.02 0.00 0.00 33.50 31.44 3bmo n PRO 101 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3bmo h LEU 102 N 2.13 0.17 -6.01 2.45 3.38 -2.01 -3.51 115.31 111.90 3bmo h LEU 102 Ca -0.51 -0.10 -0.57 0.00 0.09 0.00 0.00 57.88 56.78 3bmo h LEU 102 Cb 1.28 -0.05 -0.41 0.00 0.09 0.00 0.00 40.66 41.57 3bmo h LEU 102 CO 0.60 0.77 -0.86 1.33 0.09 0.00 0.00 178.44 180.37 3bmo n VAL 103 N -3.81 0.95 -0.26 1.22 0.24 -1.26 -5.26 118.33 110.14 3bmo n VAL 103 Ca -0.02 -4.70 0.00 0.00 -2.04 0.00 0.00 64.34 57.58 3bmo n VAL 103 Cb 0.65 -1.82 0.00 0.00 -1.47 0.00 0.00 33.84 31.20 3bmo n VAL 103 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3bmo n GLY 113 N 0.93 -1.84 3.80 7.63 0.00 -1.26 -5.19 105.19 109.25 3bmo n GLY 113 Ca 0.26 -1.98 -0.38 0.00 0.00 0.00 0.00 46.02 43.92 3bmo n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bmo s LYS 114 N 0.00 4.39 0.74 1.61 1.02 -1.26 -5.05 119.74 121.19 3bmo s LYS 114 Ca 0.00 0.99 -0.12 0.00 0.02 0.00 0.00 55.97 56.85 3bmo s LYS 114 Cb 0.00 -3.06 0.04 0.00 -0.52 0.00 0.00 37.83 34.29 3bmo s LYS 114 CO 0.00 0.49 1.11 0.95 -0.92 0.00 0.00 175.35 176.98 3bmo s THR 115 N -1.34 3.09 0.34 2.17 -4.23 -1.26 -4.86 115.64 109.55 3bmo s THR 115 Ca 0.39 0.42 0.02 0.00 -1.18 0.00 0.00 61.69 61.34 3bmo s THR 115 Cb -0.20 -2.88 0.22 0.00 1.34 0.00 0.00 72.50 70.99 3bmo s THR 115 CO 0.23 -0.40 1.95 1.62 -0.54 0.00 0.00 174.62 177.48 3bmo h VAL 116 N -0.73 1.18 -0.46 2.29 3.04 -1.99 -1.67 116.25 117.90 3bmo h VAL 116 Ca -0.45 -0.49 -0.05 0.00 -1.01 0.00 0.00 66.70 64.71 3bmo h VAL 116 Cb 1.25 0.46 -0.02 0.00 -2.01 0.00 0.00 31.29 30.97 3bmo h VAL 116 CO 0.51 0.20 0.08 1.05 -1.01 0.00 0.00 177.57 178.41 3bmo h GLU 117 N 0.77 0.71 -0.61 4.17 9.09 -1.99 0.71 114.58 127.42 3bmo h GLU 117 Ca 0.19 -0.14 -0.06 0.00 0.05 0.00 0.00 59.36 59.40 3bmo h GLU 117 Cb 0.06 -0.11 -0.02 0.00 -1.65 0.00 0.00 28.75 27.03 3bmo h GLU 117 CO -0.03 0.67 0.15 1.15 0.05 0.00 0.00 179.01 181.00 3bmo h THR 118 N 0.68 1.25 -0.47 -1.06 2.02 -1.73 -1.19 112.91 112.42 3bmo h THR 118 Ca 0.15 -0.91 -0.02 0.00 0.77 0.00 0.00 66.41 66.40 3bmo h THR 118 Cb 0.30 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 3bmo h THR 118 CO 0.00 0.34 0.21 1.56 0.37 0.00 0.00 175.52 178.00 3bmo h GLN 119 N 0.89 0.69 -0.16 6.66 4.20 -0.64 0.53 115.11 127.27 3bmo h GLN 119 Ca 0.19 -0.11 0.04 0.00 0.06 0.00 0.00 58.65 58.83 3bmo h GLN 119 Cb 0.35 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.98 3bmo h GLN 119 CO 0.00 0.60 -0.07 0.28 -0.67 0.00 0.00 178.83 178.97 3bmo h VAL 120 N 0.61 0.76 -0.54 -0.54 2.07 -0.80 0.34 116.25 118.16 3bmo h VAL 120 Ca 0.16 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.70 3bmo h VAL 120 Cb 0.15 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3bmo h VAL 120 CO -0.02 0.00 0.33 0.00 0.02 0.00 0.00 177.57 177.90 3bmo h ALA 121 N 1.09 0.69 0.11 1.67 0.00 -0.71 -0.61 119.26 121.50 3bmo h ALA 121 Ca 0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3bmo h ALA 121 Cb 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3bmo h ALA 121 CO -0.19 0.05 -0.05 0.93 0.00 0.00 0.00 179.25 179.99 3bmo h GLU 122 N 0.66 -0.14 -0.09 0.00 5.08 -0.76 -0.08 114.58 119.24 3bmo h GLU 122 Ca 0.21 0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.46 3bmo h GLU 122 Cb 0.00 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3bmo h GLU 122 CO -0.09 0.33 -0.41 -0.07 -1.00 0.00 0.00 179.01 177.77 3bmo h LEU 123 N -0.68 0.52 -0.13 1.33 3.38 -0.85 -1.68 115.31 117.19 3bmo h LEU 123 Ca -0.01 -0.63 -0.24 0.00 0.09 0.00 0.00 57.88 57.09 3bmo h LEU 123 Cb 0.53 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.13 3bmo h LEU 123 CO 0.02 1.07 -0.96 0.40 0.09 0.00 0.00 178.44 179.06 3bmo h ILE 124 N 0.01 1.37 0.70 1.22 1.08 -1.28 -2.97 117.51 117.65 3bmo h ILE 124 Ca -0.02 -2.39 -0.03 0.00 -0.39 0.00 0.00 64.86 62.03 3bmo h ILE 124 Cb 1.05 2.40 -0.00 0.00 -3.07 0.00 0.00 36.82 37.20 3bmo h ILE 124 CO 0.08 0.72 -0.40 1.23 -0.69 0.00 0.00 178.15 179.09 3bmo h GLY 125 N 1.03 -1.11 0.94 5.37 0.00 -1.24 0.24 103.07 108.30 3bmo h GLY 125 Ca -0.09 0.45 -0.03 0.00 0.00 0.00 0.00 47.33 47.65 3bmo h GLY 125 CO 0.17 -0.39 0.13 -0.91 0.00 0.00 0.00 176.54 175.54 3bmo h THR 126 N -1.03 1.22 0.00 4.70 1.35 -1.23 0.21 112.91 118.12 3bmo h THR 126 Ca -0.09 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 3bmo h THR 126 Cb 0.82 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 3bmo h THR 126 CO 0.11 0.26 -0.48 0.78 -0.25 0.00 0.00 175.52 175.94 3bmo h ASN 127 N 0.54 0.00 0.00 5.36 2.35 -1.59 -3.39 115.58 118.85 3bmo h ASN 127 Ca 0.14 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3bmo h ASN 127 Cb 0.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.64 3bmo h ASN 127 CO -0.00 0.06 0.00 0.00 -1.65 0.00 0.00 177.43 175.83 3bmo n ALA 128 N -1.90 2.66 -0.08 -0.83 0.00 -0.55 -4.45 120.51 115.36 3bmo n ALA 128 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.36 3bmo n ALA 128 Cb 0.46 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.87 3bmo n ALA 128 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3bmo h ILE 129 N 0.00 1.28 -0.26 0.00 2.04 -0.80 -1.55 117.51 118.22 3bmo h ILE 129 Ca 0.00 -1.04 -0.01 0.00 1.00 0.00 0.00 64.86 64.82 3bmo h ILE 129 Cb 0.00 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 3bmo h ILE 129 CO 0.00 0.32 0.14 0.00 0.00 0.00 0.00 178.15 178.62 3bmo h ALA 130 N 0.77 0.34 -0.83 1.87 0.00 -0.82 0.08 119.26 120.66 3bmo h ALA 130 Ca 0.06 -0.07 0.15 0.00 0.00 0.00 0.00 54.91 55.06 3bmo h ALA 130 Cb 0.50 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.09 3bmo h ALA 130 CO 0.02 -0.13 0.41 -1.35 0.00 0.00 0.00 179.25 178.20 3bmo h PRO 131 N 0.31 0.55 -0.08 0.00 0.11 -1.74 0.15 132.00 131.31 3bmo h PRO 131 Ca 0.09 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.17 3bmo h PRO 131 Cb 0.07 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.05 3bmo h PRO 131 CO -0.01 0.37 0.05 0.35 -0.21 0.00 0.00 178.00 178.54 3bmo h PHE 132 N 0.57 0.11 -0.51 0.65 3.57 -0.54 -0.68 116.94 120.10 3bmo h PHE 132 Ca 0.46 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.88 3bmo h PHE 132 Cb 0.68 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 3bmo h PHE 132 CO -0.11 0.13 0.00 -0.07 -2.23 0.00 0.00 178.31 176.03 3bmo h LEU 133 N 0.05 0.89 -0.87 0.59 3.38 -0.42 0.07 115.31 118.99 3bmo h LEU 133 Ca 0.03 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.70 3bmo h LEU 133 Cb 0.06 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 3bmo h LEU 133 CO -0.00 0.98 0.58 -0.07 0.09 0.00 0.00 178.44 180.01 3bmo h LEU 134 N 0.77 1.01 -0.15 1.67 3.38 -0.69 -0.25 115.31 121.04 3bmo h LEU 134 Ca 0.15 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3bmo h LEU 134 Cb 0.52 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3bmo h LEU 134 CO 0.03 0.73 0.10 0.74 0.09 0.00 0.00 178.44 180.13 3bmo h THR 135 N 1.19 1.04 -0.18 0.22 2.02 -0.74 0.11 112.91 116.57 3bmo h THR 135 Ca 0.32 -0.08 0.03 0.00 0.77 0.00 0.00 66.41 67.44 3bmo h THR 135 Cb -0.13 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 3bmo h THR 135 CO -0.07 0.04 0.00 -0.03 0.37 0.00 0.00 175.52 175.84 3bmo h MET 136 N 0.21 0.06 -0.55 6.66 1.85 -0.60 -0.93 114.93 121.63 3bmo h MET 136 Ca 0.06 -0.00 -0.08 0.00 -0.61 0.00 0.00 59.70 59.07 3bmo h MET 136 Cb -0.02 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 31.97 3bmo h MET 136 CO -0.01 0.04 0.03 0.77 -0.40 0.00 0.00 176.91 177.34 3bmo h SER 137 N 0.06 0.88 0.04 1.39 0.02 -0.88 -0.15 113.55 114.91 3bmo h SER 137 Ca 0.08 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 60.81 3bmo h SER 137 Cb 0.10 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.40 3bmo h SER 137 CO -0.14 0.92 -0.02 0.15 -1.14 0.00 0.00 176.83 176.60 3bmo h PHE 138 N 0.85 -0.06 -0.38 3.45 3.04 -0.59 -2.43 116.94 120.82 3bmo h PHE 138 Ca 0.16 -0.00 -0.10 0.00 3.98 0.00 0.00 57.97 62.01 3bmo h PHE 138 Cb 0.46 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.98 3bmo h PHE 138 CO 0.03 -0.04 -0.16 0.00 -2.02 0.00 0.00 178.31 176.12 3bmo h ALA 139 N 0.90 0.53 -0.06 2.41 0.00 -0.87 -2.94 119.26 119.23 3bmo h ALA 139 Ca -0.00 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 3bmo h ALA 139 Cb 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3bmo h ALA 139 CO 0.00 0.45 -0.24 1.96 0.00 0.00 0.00 179.25 181.43 3bmo h GLN 140 N 0.57 0.09 0.00 0.00 4.20 -0.93 -1.39 115.11 117.66 3bmo h GLN 140 Ca 0.09 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3bmo h GLN 140 Cb 0.70 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.47 3bmo h GLN 140 CO 0.05 0.33 0.00 0.54 -0.67 0.00 0.00 178.83 179.08 3bmo n ARG 141 N -4.22 0.01 -0.40 1.46 5.12 -0.93 -5.11 116.66 112.60 3bmo n ARG 141 Ca -0.02 0.05 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 3bmo n ARG 141 Cb 0.32 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.12 3bmo n ARG 141 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3bmo n GLN 142 N -1.49 1.34 -0.71 5.56 1.13 -0.53 -5.06 117.38 117.61 3bmo n GLN 142 Ca 0.06 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.12 3bmo n GLN 142 Cb 0.30 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.65 3bmo n GLN 142 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3bmo n ASN 153 N -1.80 -0.84 -4.74 1.08 2.85 -1.26 -4.98 115.26 105.57 3bmo n ASN 153 Ca 0.00 -0.47 -0.38 0.00 -0.11 0.00 0.00 54.58 53.61 3bmo n ASN 153 Cb 0.00 -0.08 -0.06 0.00 1.24 0.00 0.00 39.78 40.89 3bmo n ASN 153 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3bmo s LEU 154 N 0.00 4.34 0.13 1.20 1.43 -1.26 -4.83 118.68 119.69 3bmo s LEU 154 Ca 0.00 0.99 -0.19 0.00 -1.03 0.00 0.00 54.13 53.90 3bmo s LEU 154 Cb 0.00 -2.82 0.05 0.00 0.03 0.00 0.00 46.19 43.45 3bmo s LEU 154 CO 0.00 0.03 0.47 -0.94 0.23 0.00 0.00 176.35 176.14 3bmo s SER 155 N 0.30 -0.35 -0.02 2.29 1.04 -0.65 -1.96 113.70 114.34 3bmo s SER 155 Ca 0.29 -0.19 0.07 0.00 0.48 0.00 0.00 55.95 56.61 3bmo s SER 155 Cb -0.17 0.51 -0.02 0.00 0.10 0.00 0.00 66.02 66.45 3bmo s SER 155 CO 0.14 -0.88 -0.24 -0.63 0.98 0.00 0.00 173.24 172.60 3bmo s ILE 156 N -3.71 1.92 -0.09 -1.02 1.01 0.31 -2.15 121.20 117.47 3bmo s ILE 156 Ca 0.02 -1.04 0.01 0.00 0.00 0.00 0.00 60.65 59.64 3bmo s ILE 156 Cb 0.01 -1.59 0.02 0.00 0.01 0.00 0.00 42.46 40.91 3bmo s ILE 156 CO -0.12 0.54 -0.10 -0.69 0.00 0.00 0.00 174.94 174.57 3bmo s VAL 157 N -0.57 1.11 -0.20 2.92 1.01 -0.05 -1.36 120.40 123.26 3bmo s VAL 157 Ca 0.09 -0.40 -0.09 0.00 0.00 0.00 0.00 61.98 61.59 3bmo s VAL 157 Cb -0.09 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 3bmo s VAL 157 CO -0.01 0.37 0.10 0.20 0.00 0.00 0.00 175.10 175.76 3bmo s ASN 158 N 1.21 5.81 -0.50 3.32 0.01 0.06 -0.67 114.94 124.19 3bmo s ASN 158 Ca -0.04 0.09 -0.27 0.00 -0.71 0.00 0.00 52.86 51.93 3bmo s ASN 158 Cb -0.14 -2.02 0.03 0.00 0.41 0.00 0.00 41.25 39.53 3bmo s ASN 158 CO -0.03 0.13 1.06 -0.76 -1.51 0.00 0.00 177.10 175.99 3bmo s LEU 159 N 0.63 3.77 0.00 0.60 2.01 -0.29 -1.30 118.68 124.10 3bmo s LEU 159 Ca 0.05 0.21 0.00 0.00 0.01 0.00 0.00 54.13 54.40 3bmo s LEU 159 Cb -0.13 -3.30 0.00 0.00 0.01 0.00 0.00 46.19 42.78 3bmo s LEU 159 CO 0.01 -1.23 0.00 0.00 1.01 0.00 0.00 176.35 176.14 3bmo s ASP 161 N -1.00 -1.07 0.41 0.00 -1.08 -1.26 -4.30 116.67 108.37 3bmo s ASP 161 Ca 0.00 1.30 0.29 0.00 -0.52 0.00 0.00 52.55 53.62 3bmo s ASP 161 Cb 0.00 2.14 1.45 0.00 -1.46 0.00 0.00 42.92 45.05 3bmo s ASP 161 CO 0.00 -0.23 1.87 0.00 0.52 0.00 0.00 175.17 177.33 3bmo h ALA 162 N 8.02 1.00 -0.65 3.66 0.00 -0.79 -2.95 119.26 127.56 3bmo h ALA 162 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3bmo h ALA 162 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3bmo h ALA 162 CO 0.15 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 178.07 3bmo n MET 163 N -2.54 3.63 0.21 0.00 2.81 -1.26 -4.61 117.12 115.36 3bmo n MET 163 Ca -0.01 -2.81 0.14 0.00 -1.81 0.00 0.00 57.70 53.21 3bmo n MET 163 Cb 0.11 -1.87 0.75 0.00 -0.71 0.00 0.00 33.22 31.51 3bmo n MET 163 CO 0.00 0.00 0.00 -0.39 1.51 0.00 0.00 175.97 177.09 3bmo h VAL 164 N 4.08 0.72 -0.02 2.03 -1.51 -1.92 -0.91 116.25 118.73 3bmo h VAL 164 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3bmo h VAL 164 Cb 1.41 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 31.48 3bmo h VAL 164 CO 0.22 0.00 -0.14 0.47 -1.23 0.00 0.00 177.57 176.88 3bmo n ASP 165 N -4.18 1.89 -3.19 4.19 8.00 -1.26 -4.33 116.55 117.67 3bmo n ASP 165 Ca 0.00 -1.50 -0.22 0.00 0.71 0.00 0.00 54.79 53.79 3bmo n ASP 165 Cb 0.24 0.12 -0.05 0.00 -0.02 0.00 0.00 41.12 41.40 3bmo n ASP 165 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3bmo n GLN 166 N 0.27 0.97 0.00 -1.24 6.02 -0.37 -5.27 117.38 117.76 3bmo n GLN 166 Ca 0.14 -3.40 0.00 0.00 -0.01 0.00 0.00 57.00 53.74 3bmo n GLN 166 Cb 0.44 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.21 3bmo n GLN 166 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3bmo n PRO 167 N 0.88 0.00 -4.47 -1.09 -0.04 -1.08 -4.89 135.00 124.31 3bmo n PRO 167 Ca 0.23 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.36 3bmo n PRO 167 Cb 0.57 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.91 3bmo n PRO 167 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 3bmo s MET 169 N 0.00 3.58 -0.64 0.54 1.75 -1.26 -5.02 119.30 118.25 3bmo s MET 169 Ca 0.00 -0.54 0.00 0.00 -1.25 0.00 0.00 55.69 53.90 3bmo s MET 169 Cb 0.00 -2.85 0.00 0.00 2.84 0.00 0.00 34.83 34.82 3bmo s MET 169 CO 0.00 0.26 0.00 0.00 -0.65 0.00 0.00 175.02 174.63 3bmo n ALA 170 N 3.45 -0.12 -1.96 4.11 0.00 -1.26 -4.95 120.51 119.78 3bmo n ALA 170 Ca -0.18 0.09 -0.29 0.00 0.00 0.00 0.00 53.44 53.07 3bmo n ALA 170 Cb 0.53 -0.99 0.03 0.00 0.00 0.00 0.00 19.45 19.02 3bmo n ALA 170 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3bmo n PHE 171 N -3.11 3.02 -0.14 0.00 3.01 -1.26 -0.03 117.46 118.94 3bmo n PHE 171 Ca -0.07 -2.60 -0.09 0.00 1.01 0.00 0.00 57.45 55.71 3bmo n PHE 171 Cb 0.30 -0.61 -0.00 0.00 -0.01 0.00 0.00 39.48 39.16 3bmo n PHE 171 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3bmo h SER 172 N 2.31 0.56 -0.49 4.37 4.64 -1.92 -0.88 113.55 122.14 3bmo h SER 172 Ca 0.43 -0.14 -0.06 0.00 -0.47 0.00 0.00 61.79 61.55 3bmo h SER 172 Cb 1.10 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 63.02 3bmo h SER 172 CO 1.03 0.54 0.08 -0.07 -0.87 0.00 0.00 176.83 177.54 3bmo h LEU 173 N 0.55 0.78 -0.08 5.97 3.38 -1.89 0.20 115.31 124.22 3bmo h LEU 173 Ca 0.15 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 57.89 3bmo h LEU 173 Cb 0.13 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3bmo h LEU 173 CO -0.02 0.84 -0.14 0.22 0.09 0.00 0.00 178.44 179.44 3bmo h TYR 174 N 0.69 -0.34 -0.79 1.13 3.20 -1.81 -0.46 116.97 118.58 3bmo h TYR 174 Ca 0.15 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 3bmo h TYR 174 Cb 0.39 0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.79 3bmo h TYR 174 CO 0.03 -0.20 0.46 -0.97 -1.64 0.00 0.00 178.16 175.84 3bmo h ASN 175 N -0.19 0.97 -0.68 -2.11 -1.24 -0.84 -0.52 115.58 110.98 3bmo h ASN 175 Ca 0.08 -0.08 0.05 0.00 0.71 0.00 0.00 56.30 57.05 3bmo h ASN 175 Cb 0.29 -0.25 -0.05 0.00 0.73 0.00 0.00 38.32 39.04 3bmo h ASN 175 CO -0.19 0.77 0.39 0.24 -1.29 0.00 0.00 177.43 177.35 3bmo h MET 176 N 1.10 0.71 -0.46 6.67 2.86 -0.39 0.33 114.93 125.76 3bmo h MET 176 Ca 0.28 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.87 3bmo h MET 176 Cb -0.01 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.47 3bmo h MET 176 CO -0.05 0.47 0.26 0.78 1.06 0.00 0.00 176.91 179.43 3bmo h GLY 177 N 0.74 0.68 1.45 8.32 0.00 -0.13 0.07 103.07 114.20 3bmo h GLY 177 Ca 0.29 -0.30 -0.13 0.00 0.00 0.00 0.00 47.33 47.19 3bmo h GLY 177 CO -0.16 0.29 -0.40 0.50 0.00 0.00 0.00 176.54 176.78 3bmo h LYS 178 N 0.60 0.61 -0.54 4.80 1.79 -0.83 -0.90 116.57 122.09 3bmo h LYS 178 Ca 0.16 -0.31 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 3bmo h LYS 178 Cb 0.04 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.67 3bmo h LYS 178 CO -0.03 0.90 0.35 0.45 -1.08 0.00 0.00 179.45 180.04 3bmo h HIS 179 N 0.50 0.69 -0.62 -1.35 3.86 -0.74 -1.99 115.15 115.50 3bmo h HIS 179 Ca 0.04 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.27 3bmo h HIS 179 Cb 0.91 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 29.11 3bmo h HIS 179 CO 0.04 0.45 0.41 0.00 0.86 0.00 0.00 177.93 179.69 3bmo h ALA 180 N 1.19 1.56 -0.23 2.45 0.00 -0.53 -1.90 119.26 121.79 3bmo h ALA 180 Ca 0.20 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3bmo h ALA 180 Cb -0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3bmo h ALA 180 CO -0.04 0.41 -0.23 1.25 0.00 0.00 0.00 179.25 180.64 3bmo h LEU 181 N 0.84 0.43 -0.26 0.00 5.85 -0.61 0.80 115.31 122.36 3bmo h LEU 181 Ca 0.23 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3bmo h LEU 181 Cb -0.10 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 3bmo h LEU 181 CO -0.05 0.67 0.11 0.58 -0.34 0.00 0.00 178.44 179.41 3bmo h VAL 182 N 0.39 1.17 -0.77 1.05 2.07 -0.65 0.03 116.25 119.54 3bmo h VAL 182 Ca 0.06 -0.51 0.06 0.00 0.82 0.00 0.00 66.70 67.14 3bmo h VAL 182 Cb 0.62 1.01 -0.06 0.00 -1.52 0.00 0.00 31.29 31.35 3bmo h VAL 182 CO 0.04 0.17 0.45 1.23 0.02 0.00 0.00 177.57 179.49 3bmo h GLY 183 N 0.28 1.15 0.98 2.17 0.00 -0.86 -1.43 103.07 105.36 3bmo h GLY 183 Ca 0.09 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 3bmo h GLY 183 CO -0.01 0.20 0.25 -2.00 0.00 0.00 0.00 176.54 174.99 3bmo h LEU 184 N 0.82 0.74 -0.35 3.11 5.85 -0.62 0.53 115.31 125.40 3bmo h LEU 184 Ca 0.34 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.96 3bmo h LEU 184 Cb 0.20 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 3bmo h LEU 184 CO -0.18 0.68 0.12 0.74 -0.34 0.00 0.00 178.44 179.45 3bmo h THR 185 N 0.76 0.90 0.14 1.05 2.02 -0.19 0.16 112.91 117.75 3bmo h THR 185 Ca 0.19 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 3bmo h THR 185 Cb 0.15 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 3bmo h THR 185 CO -0.02 0.05 -0.07 1.56 0.37 0.00 0.00 175.52 177.41 3bmo h GLN 186 N 0.26 -0.18 -0.38 6.66 4.20 -1.15 -0.74 115.11 123.78 3bmo h GLN 186 Ca 0.16 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.88 3bmo h GLN 186 Cb 0.13 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 3bmo h GLN 186 CO -0.16 0.10 0.25 0.77 -0.67 0.00 0.00 178.83 179.12 3bmo h SER 187 N -0.45 0.44 -0.14 1.46 0.02 -0.70 -1.84 113.55 112.34 3bmo h SER 187 Ca -0.02 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.80 3bmo h SER 187 Cb 0.36 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3bmo h SER 187 CO 0.03 0.32 -0.32 0.00 -1.14 0.00 0.00 176.83 175.72 3bmo h ALA 188 N 1.14 0.88 -0.40 3.77 0.00 -0.74 -1.60 119.26 122.31 3bmo h ALA 188 Ca 0.14 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3bmo h ALA 188 Cb -0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3bmo h ALA 188 CO -0.03 0.63 0.24 0.00 0.00 0.00 0.00 179.25 180.09 3bmo h ALA 189 N 1.10 0.51 -0.11 0.00 0.00 -0.82 0.11 119.26 120.05 3bmo h ALA 189 Ca 0.06 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3bmo h ALA 189 Cb 0.82 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3bmo h ALA 189 CO 0.07 0.00 0.05 -0.07 0.00 0.00 0.00 179.25 179.30 3bmo h LEU 190 N 0.53 0.08 -0.22 0.00 3.38 -1.19 -2.25 115.31 115.65 3bmo h LEU 190 Ca 0.14 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.91 3bmo h LEU 190 Cb -0.01 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3bmo h LEU 190 CO -0.03 0.07 -0.92 -0.08 0.09 0.00 0.00 178.44 177.56 3bmo h GLU 191 N 0.12 0.26 0.00 1.13 4.81 -1.09 -3.30 114.58 116.52 3bmo h GLU 191 Ca 0.04 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 3bmo h GLU 191 Cb 0.01 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.47 3bmo h GLU 191 CO -0.03 1.02 -0.82 1.28 -0.73 0.00 0.00 179.01 179.73 3bmo n LEU 192 N -3.67 0.63 -0.27 1.64 4.77 0.36 -4.29 117.00 116.17 3bmo n LEU 192 Ca -0.05 0.03 0.08 0.00 -0.03 0.00 0.00 56.01 56.03 3bmo n LEU 192 Cb 0.83 -0.15 0.22 0.00 -2.33 0.00 0.00 43.42 41.99 3bmo n LEU 192 CO 0.49 0.04 0.98 0.00 -1.33 0.00 0.00 177.39 177.58 3bmo h ALA 193 N 2.65 1.11 0.00 -1.18 0.00 -1.47 -1.15 119.26 119.22 3bmo h ALA 193 Ca 0.00 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3bmo h ALA 193 Cb 0.68 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 3bmo h ALA 193 CO 0.00 -0.31 -0.00 -1.35 0.00 0.00 0.00 179.25 177.59 3bmo h PRO 194 N 0.35 0.00 -0.02 0.00 0.11 -1.80 -0.71 132.00 129.93 3bmo h PRO 194 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 3bmo h PRO 194 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 3bmo h PRO 194 CO -0.49 0.00 -0.01 0.66 -0.21 0.00 0.00 178.00 177.95 3bmo n TYR 195 N -3.17 0.00 -1.13 0.65 4.01 -0.46 -4.95 117.16 112.10 3bmo n TYR 195 Ca -0.03 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.66 3bmo n TYR 195 Cb 0.07 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.08 3bmo n TYR 195 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3bmo n GLY 196 N 1.21 0.73 3.53 2.72 0.00 -0.27 -5.01 105.19 108.10 3bmo n GLY 196 Ca 0.18 -0.74 -0.39 0.00 0.00 0.00 0.00 46.02 45.07 3bmo n GLY 196 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bmo s ILE 197 N -2.14 5.09 0.23 -0.61 1.01 -1.07 -4.13 121.20 119.58 3bmo s ILE 197 Ca 0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 60.65 60.47 3bmo s ILE 197 Cb 0.00 -3.50 -0.07 0.00 0.01 0.00 0.00 42.46 38.89 3bmo s ILE 197 CO 0.00 0.16 0.58 -0.13 0.00 0.00 0.00 174.94 175.55 3bmo s ARG 198 N 1.71 3.88 -0.09 2.79 0.52 -0.83 -3.65 118.95 123.28 3bmo s ARG 198 Ca 0.06 0.39 -0.03 0.00 -0.52 0.00 0.00 55.73 55.64 3bmo s ARG 198 Cb -0.16 -2.68 0.04 0.00 0.52 0.00 0.00 34.95 32.67 3bmo s ARG 198 CO 0.09 0.33 0.05 0.08 0.02 0.00 0.00 175.30 175.87 3bmo s VAL 199 N -1.77 0.10 0.31 3.52 1.01 -1.26 -0.53 120.40 121.77 3bmo s VAL 199 Ca 0.46 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.59 3bmo s VAL 199 Cb -0.12 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.78 3bmo s VAL 199 CO 0.20 0.06 0.20 0.20 0.00 0.00 0.00 175.10 175.76 3bmo s ASN 200 N 2.07 1.47 0.10 3.32 0.01 -0.47 0.10 114.94 121.54 3bmo s ASN 200 Ca 0.04 -1.62 0.04 0.00 -0.71 0.00 0.00 52.86 50.60 3bmo s ASN 200 Cb -0.13 0.47 -0.04 0.00 0.41 0.00 0.00 41.25 41.96 3bmo s ASN 200 CO -0.05 -0.95 -0.11 -0.83 -1.51 0.00 0.00 177.10 173.64 3bmo s GLY 201 N -3.36 0.87 -0.10 0.66 0.00 0.18 -0.76 107.32 104.81 3bmo s GLY 201 Ca 0.37 -1.19 0.04 0.00 0.00 0.00 0.00 44.72 43.94 3bmo s GLY 201 CO 0.20 -1.26 -0.23 0.14 0.00 0.00 0.00 173.10 171.96 3bmo s VAL 202 N -2.34 2.00 -0.49 1.40 1.01 -0.42 -0.82 120.40 120.73 3bmo s VAL 202 Ca 0.05 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.07 3bmo s VAL 202 Cb -0.03 -1.74 0.13 0.00 0.00 0.00 0.00 36.38 34.74 3bmo s VAL 202 CO 0.00 0.55 0.25 0.00 0.00 0.00 0.00 175.10 175.90 3bmo s ALA 203 N 0.43 3.27 0.77 5.51 0.00 0.07 -0.54 121.76 131.27 3bmo s ALA 203 Ca -0.17 -3.05 -0.12 0.00 0.00 0.00 0.00 51.96 48.62 3bmo s ALA 203 Cb -0.17 -2.26 0.06 0.00 0.00 0.00 0.00 23.12 20.75 3bmo s ALA 203 CO 0.07 -1.95 1.12 -2.14 0.00 0.00 0.00 175.76 172.87 3bmo s PRO 204 N 0.15 2.07 0.00 0.00 0.02 -1.26 -1.17 135.00 134.81 3bmo s PRO 204 Ca 0.15 1.39 0.00 0.00 0.02 0.00 0.00 61.00 62.56 3bmo s PRO 204 Cb -0.23 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.43 3bmo s PRO 204 CO -0.03 -1.81 0.00 0.41 -0.33 0.00 0.00 177.00 175.24 3bmo n GLY 205 N -0.51 0.39 3.46 0.52 0.00 -1.15 -0.32 105.19 107.57 3bmo n GLY 205 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 3bmo n GLY 205 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bmo s VAL 206 N 0.61 4.08 0.00 1.61 -7.23 -1.26 -4.82 120.40 113.40 3bmo s VAL 206 Ca 0.00 -0.26 0.00 0.00 -1.81 0.00 0.00 61.98 59.91 3bmo s VAL 206 Cb 0.00 -2.86 0.00 0.00 0.56 0.00 0.00 36.38 34.08 3bmo s VAL 206 CO 0.00 0.41 0.00 -0.24 -0.31 0.00 0.00 175.10 174.96 3bmo n SER 207 N 4.38 0.00 -4.68 4.85 2.88 -1.26 -1.20 113.62 118.59 3bmo n SER 207 Ca -0.17 0.00 -0.45 0.00 -1.33 0.00 0.00 58.87 56.92 3bmo n SER 207 Cb 0.52 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.94 3bmo n SER 207 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3bmo n LEU 208 N 0.00 3.64 -4.88 2.46 4.77 -1.24 -4.59 117.00 117.16 3bmo n LEU 208 Ca 0.00 0.99 -0.30 0.00 -0.03 0.00 0.00 56.01 56.67 3bmo n LEU 208 Cb 0.00 -1.45 0.01 0.00 -2.33 0.00 0.00 43.42 39.66 3bmo n LEU 208 CO 0.00 -0.00 0.65 -0.76 -1.33 0.00 0.00 177.39 175.94 3bmo s LEU 209 N 3.21 3.28 0.30 2.23 1.43 -1.26 -5.02 118.68 122.85 3bmo s LEU 209 Ca 0.87 1.22 -0.30 0.00 -1.03 0.00 0.00 54.13 54.89 3bmo s LEU 209 Cb -0.60 -4.20 -0.12 0.00 0.03 0.00 0.00 46.19 41.30 3bmo s LEU 209 CO 0.44 -0.88 1.56 -2.65 0.23 0.00 0.00 176.35 175.05 3bmo n PRO 210 N -2.66 2.63 0.04 1.29 -0.02 -1.26 -4.88 135.00 130.15 3bmo n PRO 210 Ca 0.05 0.93 -0.01 0.00 -2.02 0.00 0.00 63.50 62.45 3bmo n PRO 210 Cb 0.55 -2.69 0.28 0.00 -0.02 0.00 0.00 33.50 31.62 3bmo n PRO 210 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3bmo h VAL 211 N 3.24 1.22 -0.00 -1.45 3.04 -2.03 -1.78 116.25 118.49 3bmo h VAL 211 Ca -0.47 -1.01 0.00 0.00 -1.01 0.00 0.00 66.70 64.21 3bmo h VAL 211 Cb 1.23 1.20 0.00 0.00 -2.01 0.00 0.00 31.29 31.71 3bmo h VAL 211 CO 0.76 0.32 -0.16 0.00 -1.01 0.00 0.00 177.57 177.49 3bmo n ALA 212 N -2.48 2.72 -1.76 3.17 0.00 -1.26 -4.80 120.51 116.09 3bmo n ALA 212 Ca 0.00 -0.18 -0.42 0.00 0.00 0.00 0.00 53.44 52.84 3bmo n ALA 212 Cb 0.32 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 3bmo n ALA 212 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3bmo s MET 213 N -2.98 4.14 0.56 0.00 0.00 -0.67 -4.94 119.30 115.41 3bmo s MET 213 Ca 0.14 2.57 -0.21 0.00 0.00 0.00 0.00 55.69 58.18 3bmo s MET 213 Cb 0.19 -3.07 -0.04 0.00 0.00 0.00 0.00 34.83 31.90 3bmo s MET 213 CO 0.58 -0.71 1.35 0.20 0.00 0.00 0.00 175.02 176.44 3bmo s GLY 214 N 1.03 2.88 0.52 2.11 0.00 -1.26 -4.76 107.32 107.83 3bmo s GLY 214 Ca 0.72 1.31 0.16 0.00 0.00 0.00 0.00 44.72 46.91 3bmo s GLY 214 CO 0.35 1.81 2.15 0.83 0.00 0.00 0.00 173.10 178.25 3bmo h GLU 215 N 1.31 0.00 -0.81 2.90 4.39 -1.94 -0.04 114.58 120.39 3bmo h GLU 215 Ca -0.51 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.18 3bmo h GLU 215 Cb 1.31 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.92 3bmo h GLU 215 CO 0.57 0.00 0.45 1.49 -1.16 0.00 0.00 179.01 180.35 3bmo h GLU 216 N 0.00 1.13 -0.12 2.33 4.81 -1.99 0.14 114.58 120.87 3bmo h GLU 216 Ca 0.00 -0.13 -0.16 0.00 -0.13 0.00 0.00 59.36 58.94 3bmo h GLU 216 Cb 0.02 -0.22 0.01 0.00 0.63 0.00 0.00 28.75 29.18 3bmo h GLU 216 CO -0.00 0.83 -0.57 1.49 -0.73 0.00 0.00 179.01 180.03 3bmo h GLU 217 N 1.13 0.60 -0.55 1.92 4.81 -1.55 -2.75 114.58 118.18 3bmo h GLU 217 Ca 0.29 -0.48 0.10 0.00 -0.13 0.00 0.00 59.36 59.13 3bmo h GLU 217 Cb 0.02 0.10 -0.08 0.00 0.63 0.00 0.00 28.75 29.42 3bmo h GLU 217 CO -0.05 1.10 0.10 0.87 -0.73 0.00 0.00 179.01 180.31 3bmo h LYS 218 N 0.24 0.22 -0.07 1.92 1.57 -0.80 -2.42 116.57 117.23 3bmo h LYS 218 Ca -0.04 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 3bmo h LYS 218 Cb 1.21 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 3bmo h LYS 218 CO 0.12 0.15 -0.40 -0.44 -0.57 0.00 0.00 179.45 178.31 3bmo h ASP 219 N 0.23 0.15 -0.85 0.86 3.32 -0.70 -0.90 116.42 118.53 3bmo h ASP 219 Ca 0.28 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3bmo h ASP 219 Cb 0.41 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.87 3bmo h ASP 219 CO -0.38 0.54 0.54 0.11 -1.72 0.00 0.00 179.24 178.33 3bmo h LYS 220 N 0.13 1.14 -0.27 3.56 1.57 -1.13 -0.49 116.57 121.07 3bmo h LYS 220 Ca 0.01 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 3bmo h LYS 220 Cb 0.76 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 3bmo h LYS 220 CO 0.06 0.78 -0.03 -1.49 -0.57 0.00 0.00 179.45 178.20 3bmo h TRP 221 N 1.16 0.55 -0.76 -1.35 4.06 -1.14 -3.15 115.95 115.32 3bmo h TRP 221 Ca 0.31 -0.11 0.06 0.00 2.06 0.00 0.00 58.89 61.21 3bmo h TRP 221 Cb -0.09 -0.14 -0.06 0.00 -1.00 0.00 0.00 29.16 27.88 3bmo h TRP 221 CO -0.01 0.67 0.45 0.00 -3.56 0.00 0.00 178.44 176.00 3bmo h ARG 222 N 0.26 0.81 0.00 0.49 3.08 -0.95 -1.90 114.38 116.17 3bmo h ARG 222 Ca 0.07 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 3bmo h ARG 222 Cb 0.47 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 3bmo h ARG 222 CO 0.02 0.54 -0.03 0.00 -1.07 0.00 0.00 179.97 179.43 3bmo h ARG 223 N 0.84 0.00 0.00 0.04 3.08 -1.05 -2.24 114.38 115.05 3bmo h ARG 223 Ca 0.33 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.33 3bmo h ARG 223 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3bmo h ARG 223 CO -0.17 0.03 -0.25 0.87 -1.07 0.00 0.00 179.97 179.38 3bmo h LYS 224 N 0.00 0.00 -5.92 0.04 1.57 -1.35 -3.45 116.57 107.46 3bmo h LYS 224 Ca -0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 3bmo h LYS 224 Cb 0.08 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.29 3bmo h LYS 224 CO 0.00 0.25 0.48 0.08 -0.57 0.00 0.00 179.45 179.69 3bmo s VAL 225 N -3.75 4.67 0.25 0.50 1.01 -0.85 -4.77 120.40 117.45 3bmo s VAL 225 Ca -0.00 1.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.99 3bmo s VAL 225 Cb 0.11 -4.26 0.23 0.00 0.00 0.00 0.00 36.38 32.46 3bmo s VAL 225 CO 0.64 -0.46 1.84 -0.65 0.00 0.00 0.00 175.10 176.47 3bmo h PRO 226 N 8.43 0.90 -4.97 2.72 0.11 -1.82 -1.84 132.00 135.53 3bmo h PRO 226 Ca -0.24 -0.05 -0.71 0.00 0.11 0.00 0.00 66.00 65.11 3bmo h PRO 226 Cb 1.09 -0.20 -0.17 0.00 0.11 0.00 0.00 31.00 31.82 3bmo h PRO 226 CO 0.94 0.59 1.14 -1.17 -0.21 0.00 0.00 178.00 179.29 3bmo s LEU 227 N -10.23 4.96 0.00 2.35 2.96 -0.44 -4.26 118.68 114.02 3bmo s LEU 227 Ca -0.12 -2.47 0.00 0.00 -0.22 0.00 0.00 54.13 51.32 3bmo s LEU 227 Cb 0.19 -2.41 0.00 0.00 0.50 0.00 0.00 46.19 44.47 3bmo s LEU 227 CO 0.79 -0.94 0.00 0.61 -1.32 0.00 0.00 176.35 175.49 3bmo n GLY 228 N 4.91 0.73 3.91 7.98 0.00 -1.26 -4.40 105.19 117.06 3bmo n GLY 228 Ca 0.31 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.08 3bmo n GLY 228 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bmo n ARG 229 N -2.00 -3.75 -3.71 1.61 5.12 -0.69 -4.96 116.66 108.29 3bmo n ARG 229 Ca 0.00 0.46 -0.11 0.00 -1.93 0.00 0.00 57.85 56.27 3bmo n ARG 229 Cb 0.00 -4.74 -0.06 0.00 -1.16 0.00 0.00 32.46 26.50 3bmo n ARG 229 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 3bmo s ARG 230 N -6.44 0.94 0.65 5.56 1.70 -1.18 -4.46 118.95 115.72 3bmo s ARG 230 Ca 0.06 -0.62 -0.13 0.00 -0.47 0.00 0.00 55.73 54.57 3bmo s ARG 230 Cb -0.03 0.41 -0.01 0.00 -0.57 0.00 0.00 34.95 34.74 3bmo s ARG 230 CO 0.87 -0.33 1.06 -1.83 -1.08 0.00 0.00 175.30 173.99 3bmo s GLU 231 N -3.21 3.06 0.30 3.89 1.03 -1.26 -4.85 118.70 117.65 3bmo s GLU 231 Ca -0.01 1.09 -0.29 0.00 0.03 0.00 0.00 54.97 55.80 3bmo s GLU 231 Cb 0.01 -2.00 -0.10 0.00 -0.80 0.00 0.00 34.13 31.24 3bmo s GLU 231 CO -0.08 -1.01 1.25 0.00 -1.33 0.00 0.00 175.26 174.09 3bmo s ALA 232 N -2.75 3.48 0.84 -0.84 0.00 -0.34 -4.94 121.76 117.21 3bmo s ALA 232 Ca 0.61 1.14 -0.11 0.00 0.00 0.00 0.00 51.96 53.60 3bmo s ALA 232 Cb -0.15 -3.44 0.10 0.00 0.00 0.00 0.00 23.12 19.63 3bmo s ALA 232 CO 0.47 -0.49 1.10 -1.54 0.00 0.00 0.00 175.76 175.29 3bmo s SER 233 N -0.46 3.83 0.36 0.00 1.04 -1.26 -3.61 113.70 113.60 3bmo s SER 233 Ca 0.49 1.84 0.06 0.00 0.48 0.00 0.00 55.95 58.82 3bmo s SER 233 Cb -0.37 -2.46 0.69 0.00 0.10 0.00 0.00 66.02 63.98 3bmo s SER 233 CO 0.47 -2.46 1.91 0.00 0.98 0.00 0.00 173.24 174.14 3bmo h ALA 234 N -1.43 1.45 -0.40 5.32 0.00 -1.95 -2.65 119.26 119.60 3bmo h ALA 234 Ca -0.45 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.19 3bmo h ALA 234 Cb 1.25 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3bmo h ALA 234 CO 0.50 0.39 -0.12 0.93 0.00 0.00 0.00 179.25 180.94 3bmo h GLU 235 N 0.43 0.73 -0.65 0.00 3.07 -1.92 0.07 114.58 116.30 3bmo h GLU 235 Ca 0.09 -0.24 -0.08 0.00 -0.50 0.00 0.00 59.36 58.63 3bmo h GLU 235 Cb 0.30 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.12 3bmo h GLU 235 CO 0.01 0.82 0.08 1.96 -1.40 0.00 0.00 179.01 180.48 3bmo h GLN 236 N 0.66 1.09 -0.22 2.33 4.20 -1.85 0.18 115.11 121.51 3bmo h GLN 236 Ca 0.11 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.51 3bmo h GLN 236 Cb 0.59 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 3bmo h GLN 236 CO 0.04 1.01 0.09 0.82 -0.67 0.00 0.00 178.83 180.12 3bmo h ILE 237 N 1.01 1.16 -0.83 2.54 1.08 -1.25 -2.92 117.51 118.30 3bmo h ILE 237 Ca 0.19 -0.48 0.11 0.00 -0.39 0.00 0.00 64.86 64.30 3bmo h ILE 237 Cb 0.47 1.07 -0.06 0.00 -3.07 0.00 0.00 36.82 35.24 3bmo h ILE 237 CO 0.02 0.16 0.54 0.00 -0.69 0.00 0.00 178.15 178.17 3bmo h ALA 238 N 0.94 1.80 -0.88 1.87 0.00 -0.67 -2.16 119.26 120.16 3bmo h ALA 238 Ca 0.07 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3bmo h ALA 238 Cb 0.17 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3bmo h ALA 238 CO -0.01 0.01 0.58 -0.44 0.00 0.00 0.00 179.25 179.39 3bmo h ASP 239 N 0.71 0.96 -0.42 0.00 3.32 -0.77 0.50 116.42 120.72 3bmo h ASP 239 Ca 0.39 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.28 3bmo h ASP 239 Cb 0.55 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 3bmo h ASP 239 CO -0.16 0.66 -0.34 0.00 -1.72 0.00 0.00 179.24 177.69 3bmo h ALA 240 N 1.48 0.61 -0.34 3.45 0.00 -1.40 -1.71 119.26 121.35 3bmo h ALA 240 Ca 0.34 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3bmo h ALA 240 Cb -0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3bmo h ALA 240 CO -0.10 0.68 0.16 0.28 0.00 0.00 0.00 179.25 180.27 3bmo h VAL 241 N 0.80 1.17 -0.70 0.00 2.07 -1.14 -1.67 116.25 116.77 3bmo h VAL 241 Ca 0.08 -0.48 0.04 0.00 0.82 0.00 0.00 66.70 67.15 3bmo h VAL 241 Cb 0.93 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 3bmo h VAL 241 CO 0.09 0.18 0.43 0.40 0.02 0.00 0.00 177.57 178.68 3bmo h ILE 242 N 0.42 1.06 -0.19 4.57 1.08 -0.81 -1.52 117.51 122.12 3bmo h ILE 242 Ca 0.12 -0.28 0.03 0.00 -0.39 0.00 0.00 64.86 64.34 3bmo h ILE 242 Cb 0.13 0.16 -0.03 0.00 -3.07 0.00 0.00 36.82 34.01 3bmo h ILE 242 CO -0.01 0.15 -0.02 0.15 -0.69 0.00 0.00 178.15 177.73 3bmo h PHE 243 N 0.82 -0.05 0.00 1.37 3.57 -1.16 -2.43 116.94 119.07 3bmo h PHE 243 Ca 0.29 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.77 3bmo h PHE 243 Cb 0.07 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 3bmo h PHE 243 CO -0.05 -0.05 -0.16 -0.07 -2.23 0.00 0.00 178.31 175.75 3bmo h LEU 244 N 0.04 0.00 -0.00 0.59 3.38 -0.58 -1.85 115.31 116.88 3bmo h LEU 244 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3bmo h LEU 244 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3bmo h LEU 244 CO -0.17 0.16 -0.45 1.33 0.09 0.00 0.00 178.44 179.40 3bmo n VAL 245 N -3.99 0.00 -1.84 1.22 0.24 -0.64 -4.76 118.33 108.56 3bmo n VAL 245 Ca -0.02 -0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 61.98 3bmo n VAL 245 Cb 0.25 0.18 0.08 0.00 -1.47 0.00 0.00 33.84 32.89 3bmo n VAL 245 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3bmo s SER 246 N -3.00 4.62 0.44 -1.34 1.04 -0.70 -4.95 113.70 109.82 3bmo s SER 246 Ca 0.11 0.92 0.30 0.00 0.48 0.00 0.00 55.95 57.77 3bmo s SER 246 Cb 0.18 -1.51 1.47 0.00 0.10 0.00 0.00 66.02 66.26 3bmo s SER 246 CO 0.68 -1.84 1.92 1.23 0.98 0.00 0.00 173.24 176.21 3bmo h GLY 247 N -1.01 0.00 1.29 7.32 0.00 -1.91 -2.30 103.07 106.46 3bmo h GLY 247 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3bmo h GLY 247 CO 0.65 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.63 3bmo n SER 248 N -2.64 0.00 -0.17 0.19 7.64 -1.26 -3.21 113.62 114.17 3bmo n SER 248 Ca -0.00 -0.45 0.08 0.00 1.01 0.00 0.00 58.87 59.51 3bmo n SER 248 Cb 0.16 -0.15 0.12 0.00 -1.01 0.00 0.00 64.21 63.33 3bmo n SER 248 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bmo n ALA 249 N -1.15 2.27 0.54 -0.43 0.00 -0.86 -4.87 120.51 116.01 3bmo n ALA 249 Ca 0.16 -2.38 0.09 0.00 0.00 0.00 0.00 53.44 51.31 3bmo n ALA 249 Cb 0.15 -0.40 0.38 0.00 0.00 0.00 0.00 19.45 19.58 3bmo n ALA 249 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3bmo n GLN 250 N -1.17 0.04 -0.05 0.00 6.02 -1.20 -1.13 117.38 119.90 3bmo n GLN 250 Ca 0.13 0.25 0.11 0.00 -0.01 0.00 0.00 57.00 57.48 3bmo n GLN 250 Cb 0.66 -1.57 0.12 0.00 1.02 0.00 0.00 30.24 30.46 3bmo n GLN 250 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 3bmo n TYR 251 N -1.65 0.12 -3.18 1.08 9.36 -1.26 -4.94 117.16 116.69 3bmo n TYR 251 Ca 0.04 -0.07 -0.41 0.00 3.32 0.00 0.00 57.90 60.78 3bmo n TYR 251 Cb 0.21 -0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 38.84 3bmo n TYR 251 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 3bmo s ILE 252 N -1.71 4.98 -0.04 2.97 1.01 -0.28 -5.04 121.20 123.09 3bmo s ILE 252 Ca 0.28 0.67 -0.09 0.00 0.00 0.00 0.00 60.65 61.51 3bmo s ILE 252 Cb 0.19 -3.96 0.02 0.00 0.01 0.00 0.00 42.46 38.72 3bmo s ILE 252 CO 0.28 -0.13 0.21 0.28 0.00 0.00 0.00 174.94 175.58 3bmo s THR 253 N 2.49 0.04 -0.66 2.92 -1.32 -1.26 -4.67 115.64 113.18 3bmo s THR 253 Ca 0.22 -0.32 0.00 0.00 -1.21 0.00 0.00 61.69 60.38 3bmo s THR 253 Cb -0.15 -0.42 0.00 0.00 -1.51 0.00 0.00 72.50 70.42 3bmo s THR 253 CO 0.12 -0.18 0.00 0.61 -2.21 0.00 0.00 174.62 172.96 3bmo n GLY 254 N 2.13 0.85 3.75 6.08 0.00 0.11 -4.95 105.19 113.16 3bmo n GLY 254 Ca -0.18 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 44.92 3bmo n GLY 254 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bmo s SER 255 N -2.76 5.55 -0.22 1.61 0.01 -1.26 -4.81 113.70 111.83 3bmo s SER 255 Ca 0.00 0.16 -0.00 0.00 1.31 0.00 0.00 55.95 57.42 3bmo s SER 255 Cb 0.00 -1.59 0.02 0.00 0.21 0.00 0.00 66.02 64.66 3bmo s SER 255 CO 0.00 0.32 -0.12 -0.63 0.41 0.00 0.00 173.24 173.22 3bmo s ILE 256 N -1.08 2.55 -0.39 1.44 1.01 -1.26 -0.65 121.20 122.82 3bmo s ILE 256 Ca 0.19 -1.01 -0.22 0.00 0.00 0.00 0.00 60.65 59.61 3bmo s ILE 256 Cb -0.12 -2.23 0.01 0.00 0.01 0.00 0.00 42.46 40.14 3bmo s ILE 256 CO 0.09 0.32 0.73 -0.63 0.00 0.00 0.00 174.94 175.45 3bmo s ILE 257 N 1.30 4.77 0.18 2.92 1.01 -0.00 -4.90 121.20 126.48 3bmo s ILE 257 Ca 0.01 0.61 -0.30 0.00 0.00 0.00 0.00 60.65 60.97 3bmo s ILE 257 Cb -0.15 -4.19 -0.09 0.00 0.01 0.00 0.00 42.46 38.03 3bmo s ILE 257 CO -0.08 -0.48 1.33 -0.75 0.00 0.00 0.00 174.94 174.96 3bmo s LYS 258 N 3.00 4.37 -0.55 2.79 2.20 -1.26 -0.75 119.74 129.53 3bmo s LYS 258 Ca 0.28 2.07 0.05 0.00 -0.36 0.00 0.00 55.97 58.01 3bmo s LYS 258 Cb -0.13 -3.20 0.18 0.00 -1.51 0.00 0.00 37.83 33.17 3bmo s LYS 258 CO 0.18 -0.29 0.46 0.28 -0.36 0.00 0.00 175.35 175.61 3bmo n VAL 259 N 2.87 0.34 -0.67 4.02 0.31 -0.32 -4.88 118.33 119.99 3bmo n VAL 259 Ca 0.07 -4.24 0.00 0.00 -0.01 0.00 0.00 64.34 60.16 3bmo n VAL 259 Cb 0.43 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 3bmo n VAL 259 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3bmo n ASP 260 N 2.17 0.51 -1.62 4.52 5.75 -1.26 -2.95 116.55 123.68 3bmo n ASP 260 Ca 0.25 -1.18 -0.19 0.00 -0.01 0.00 0.00 54.79 53.65 3bmo n ASP 260 Cb 0.42 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.44 3bmo n ASP 260 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3bmo n GLY 261 N -0.09 1.69 1.66 6.12 0.00 -1.26 -1.39 105.19 111.92 3bmo n GLY 261 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3bmo n GLY 261 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bmo n GLY 262 N -0.40 0.78 0.30 -0.02 0.00 -1.26 -1.33 105.19 103.26 3bmo n GLY 262 Ca -0.20 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.88 3bmo n GLY 262 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3bmo h LEU 263 N 0.00 0.49 -0.50 0.99 5.85 -1.53 -1.15 115.31 119.46 3bmo h LEU 263 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3bmo h LEU 263 Cb 0.00 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.04 3bmo h LEU 263 CO 0.00 0.22 0.00 -1.54 -0.34 0.00 0.00 178.44 176.78 3bmo n SER 264 N -4.88 0.56 0.00 1.25 3.41 -1.26 -1.90 113.62 110.80 3bmo n SER 264 Ca 0.15 0.62 0.13 0.00 -0.26 0.00 0.00 58.87 59.52 3bmo n SER 264 Cb 0.39 -0.75 0.44 0.00 -0.26 0.00 0.00 64.21 64.04 3bmo n SER 264 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3bmo n LEU 265 N -2.10 0.25 -4.61 1.04 4.77 -0.44 -4.86 117.00 111.05 3bmo n LEU 265 Ca 0.03 0.28 -0.41 0.00 -0.03 0.00 0.00 56.01 55.87 3bmo n LEU 265 Cb 0.24 -0.38 -0.06 0.00 -2.33 0.00 0.00 43.42 40.90 3bmo n LEU 265 CO 0.20 0.05 0.48 -0.69 -1.33 0.00 0.00 177.39 176.10 3bmo s VAL 266 N -3.01 4.88 0.84 4.08 1.01 -0.80 -5.05 120.40 122.35 3bmo s VAL 266 Ca 0.12 1.05 -0.11 0.00 0.00 0.00 0.00 61.98 63.04 3bmo s VAL 266 Cb 0.18 -4.05 0.09 0.00 0.00 0.00 0.00 36.38 32.60 3bmo s VAL 266 CO 0.61 -0.16 1.09 -1.38 0.00 0.00 0.00 175.10 175.26 3bmo s HIS 267 N 2.74 2.48 -2.00 5.22 -3.43 -1.26 -5.09 115.29 113.96 3bmo s HIS 267 Ca 0.29 1.36 0.01 0.00 -0.80 0.00 0.00 55.06 55.92 3bmo s HIS 267 Cb -0.15 -3.11 0.07 0.00 -1.43 0.00 0.00 32.58 27.96 3bmo s HIS 267 CO 0.11 -2.09 0.56 0.00 -2.00 0.00 0.00 174.74 171.33