#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bfa s PRO 7 N 0.00 3.19 -0.04 5.55 0.04 -1.26 -4.81 135.00 137.67 2bfa s PRO 7 Ca 0.00 0.56 0.06 0.00 0.04 0.00 0.00 61.00 61.66 2bfa s PRO 7 Cb 0.00 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 2bfa s PRO 7 CO 0.00 -0.80 -0.22 0.08 0.04 0.00 0.00 177.00 176.10 2bfa s VAL 8 N -3.25 2.42 -0.06 -0.36 1.01 -1.26 -0.48 120.40 118.42 2bfa s VAL 8 Ca 0.56 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.63 2bfa s VAL 8 Cb -0.11 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 2bfa s VAL 8 CO 0.52 0.58 -0.21 0.00 0.00 0.00 0.00 175.10 175.99 2bfa s ALA 9 N -0.54 1.86 -0.28 5.51 0.00 0.04 -0.48 121.76 127.88 2bfa s ALA 9 Ca 0.07 -0.86 -0.09 0.00 0.00 0.00 0.00 51.96 51.08 2bfa s ALA 9 Cb -0.11 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.37 2bfa s ALA 9 CO 0.01 0.33 0.13 -1.17 0.00 0.00 0.00 175.76 175.05 2bfa s LEU 10 N 0.01 3.82 -0.25 0.00 2.96 0.18 -0.34 118.68 125.06 2bfa s LEU 10 Ca -0.06 -0.30 0.03 0.00 -0.22 0.00 0.00 54.13 53.58 2bfa s LEU 10 Cb -0.13 -1.99 0.06 0.00 0.50 0.00 0.00 46.19 44.62 2bfa s LEU 10 CO 0.04 -0.10 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.16 2bfa s VAL 11 N 1.64 2.14 0.41 1.68 1.01 -0.72 -0.29 120.40 126.27 2bfa s VAL 11 Ca 0.06 -1.55 -0.23 0.00 0.00 0.00 0.00 61.98 60.26 2bfa s VAL 11 Cb -0.16 -2.22 -0.10 0.00 0.00 0.00 0.00 36.38 33.90 2bfa s VAL 11 CO 0.06 0.03 1.00 0.42 0.00 0.00 0.00 175.10 176.61 2bfa s THR 12 N 1.13 4.02 -1.38 3.92 -4.23 -0.99 -1.33 115.64 116.77 2bfa s THR 12 Ca -0.07 1.42 -0.06 0.00 -1.18 0.00 0.00 61.69 61.79 2bfa s THR 12 Cb -0.19 -3.67 0.03 0.00 1.34 0.00 0.00 72.50 70.01 2bfa s THR 12 CO -0.06 -0.12 0.89 0.61 -0.54 0.00 0.00 174.62 175.40 2bfa n GLY 13 N -0.04 -0.40 0.36 3.99 0.00 -1.13 -2.71 105.19 105.26 2bfa n GLY 13 Ca 0.06 0.16 0.14 0.00 0.00 0.00 0.00 46.02 46.39 2bfa n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bfa n ALA 14 N -4.50 2.63 -0.21 4.61 0.00 -0.44 -4.08 120.51 118.52 2bfa n ALA 14 Ca -0.14 -0.39 -0.08 0.00 0.00 0.00 0.00 53.44 52.84 2bfa n ALA 14 Cb 0.61 -1.24 0.03 0.00 0.00 0.00 0.00 19.45 18.84 2bfa n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bfa h ALA 15 N 4.22 0.78 -4.29 0.00 0.00 -1.88 -2.66 119.26 115.44 2bfa h ALA 15 Ca 0.00 -0.20 -0.34 0.00 0.00 0.00 0.00 54.91 54.37 2bfa h ALA 15 Cb 0.39 -0.23 -0.09 0.00 0.00 0.00 0.00 17.79 17.87 2bfa h ALA 15 CO 0.00 0.45 -0.26 0.36 0.00 0.00 0.00 179.25 179.80 2bfa n LYS 16 N -4.40 0.55 0.00 0.00 2.85 -1.26 -4.51 118.16 111.38 2bfa n LYS 16 Ca 0.03 -2.85 0.00 0.00 -1.05 0.00 0.00 58.31 54.45 2bfa n LYS 16 Cb 0.21 2.56 0.00 0.00 -0.65 0.00 0.00 35.03 37.15 2bfa n LYS 16 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2bfa n ARG 17 N -0.57 0.00 -0.16 -1.58 1.74 -1.26 -1.81 116.66 113.03 2bfa n ARG 17 Ca 0.03 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.02 2bfa n ARG 17 Cb 0.56 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 32.00 2bfa n ARG 17 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2bfa h LEU 18 N 0.00 0.74 -0.32 0.55 3.38 -1.93 -2.47 115.31 115.26 2bfa h LEU 18 Ca 0.00 -0.27 0.06 0.00 0.09 0.00 0.00 57.88 57.76 2bfa h LEU 18 Cb 0.00 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.50 2bfa h LEU 18 CO 0.00 0.82 -0.04 1.23 0.09 0.00 0.00 178.44 180.55 2bfa h GLY 19 N 0.63 0.28 1.01 0.83 0.00 -1.55 0.17 103.07 104.44 2bfa h GLY 19 Ca 0.14 0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.53 2bfa h GLY 19 CO 0.01 -0.10 0.44 -0.09 0.00 0.00 0.00 176.54 176.81 2bfa h ARG 20 N 0.05 0.97 -0.73 4.80 2.43 -0.98 -0.60 114.38 120.32 2bfa h ARG 20 Ca 0.16 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 2bfa h ARG 20 Cb 0.22 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 2bfa h ARG 20 CO -0.29 0.68 0.29 1.03 -1.51 0.00 0.00 179.97 180.16 2bfa h SER 21 N 0.98 1.01 -0.43 -3.80 0.87 -0.89 0.69 113.55 111.98 2bfa h SER 21 Ca 0.26 -0.18 -0.04 0.00 -1.23 0.00 0.00 61.79 60.60 2bfa h SER 21 Cb -0.05 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.63 2bfa h SER 21 CO -0.05 0.91 0.10 0.40 -0.53 0.00 0.00 176.83 177.66 2bfa h ILE 22 N 1.05 1.23 -0.31 2.23 2.04 -0.28 0.20 117.51 123.68 2bfa h ILE 22 Ca 0.24 -0.81 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 2bfa h ILE 22 Cb 0.22 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 2bfa h ILE 22 CO -0.02 0.29 0.13 0.00 0.00 0.00 0.00 178.15 178.55 2bfa h ALA 23 N 0.96 0.40 -0.68 1.87 0.00 -0.88 -0.68 119.26 120.26 2bfa h ALA 23 Ca 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2bfa h ALA 23 Cb 0.33 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2bfa h ALA 23 CO 0.00 -0.01 0.39 0.93 0.00 0.00 0.00 179.25 180.56 2bfa h GLU 24 N 0.36 0.94 0.22 0.00 5.08 -0.70 0.00 114.58 120.49 2bfa h GLU 24 Ca 0.11 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2bfa h GLU 24 Cb 0.16 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2bfa h GLU 24 CO -0.01 0.69 -0.18 0.78 -1.00 0.00 0.00 179.01 179.29 2bfa h GLY 25 N 0.93 -0.42 1.02 -3.84 0.00 -0.23 -0.01 103.07 100.53 2bfa h GLY 25 Ca 0.24 0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.76 2bfa h GLY 25 CO -0.04 -0.18 0.45 1.41 0.00 0.00 0.00 176.54 178.18 2bfa h LEU 26 N -0.42 1.03 -0.93 3.11 3.38 -0.99 -2.54 115.31 117.96 2bfa h LEU 26 Ca -0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2bfa h LEU 26 Cb 0.37 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 2bfa h LEU 26 CO -0.02 0.83 0.56 -0.74 0.09 0.00 0.00 178.44 179.16 2bfa h HIS 27 N 1.15 1.23 0.00 1.13 2.76 -0.68 -0.56 115.15 120.17 2bfa h HIS 27 Ca 0.29 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.44 2bfa h HIS 27 Cb 0.03 -0.40 -0.00 0.00 1.55 0.00 0.00 27.41 28.58 2bfa h HIS 27 CO 0.00 0.82 -0.06 0.00 -1.30 0.00 0.00 177.93 177.39 2bfa h ALA 28 N 1.30 1.29 -0.00 5.26 0.00 -0.58 -0.22 119.26 126.31 2bfa h ALA 28 Ca 0.33 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2bfa h ALA 28 Cb -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2bfa h ALA 28 CO -0.06 0.08 -0.22 0.39 0.00 0.00 0.00 179.25 179.44 2bfa n GLU 29 N -3.59 0.56 0.00 0.00 -0.58 -0.27 -4.92 120.64 111.86 2bfa n GLU 29 Ca -0.02 -0.26 0.00 0.00 -0.42 0.00 0.00 57.16 56.46 2bfa n GLU 29 Cb 0.18 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 2bfa n GLU 29 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2bfa n GLY 30 N 1.36 0.79 3.77 0.62 0.00 -0.09 -5.09 105.19 106.54 2bfa n GLY 30 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 2bfa n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bfa s TYR 31 N -2.00 3.28 0.13 1.61 1.51 -0.91 -4.54 117.35 116.43 2bfa s TYR 31 Ca 0.00 1.59 -0.26 0.00 -1.01 0.00 0.00 57.07 57.39 2bfa s TYR 31 Cb 0.00 -3.38 -0.07 0.00 -0.11 0.00 0.00 41.96 38.40 2bfa s TYR 31 CO 0.00 -1.05 0.82 0.00 -1.11 0.00 0.00 175.55 174.21 2bfa s ALA 32 N -1.29 3.38 -0.10 3.71 0.00 0.37 -4.28 121.76 123.55 2bfa s ALA 32 Ca 0.51 0.40 0.04 0.00 0.00 0.00 0.00 51.96 52.91 2bfa s ALA 32 Cb -0.32 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.75 2bfa s ALA 32 CO 0.41 0.16 -0.23 0.08 0.00 0.00 0.00 175.76 176.18 2bfa s VAL 33 N -0.63 2.03 -0.47 0.00 1.01 0.28 -0.78 120.40 121.84 2bfa s VAL 33 Ca 0.39 -1.00 -0.18 0.00 0.00 0.00 0.00 61.98 61.19 2bfa s VAL 33 Cb -0.23 -1.76 0.05 0.00 0.00 0.00 0.00 36.38 34.44 2bfa s VAL 33 CO 0.26 0.55 0.52 0.00 0.00 0.00 0.00 175.10 176.44 2bfa s LEU 35 N 2.28 4.24 0.39 0.00 1.43 0.12 -1.75 118.68 125.39 2bfa s LEU 35 Ca 0.12 -0.29 -0.14 0.00 -1.03 0.00 0.00 54.13 52.79 2bfa s LEU 35 Cb -0.20 -2.87 -0.08 0.00 0.03 0.00 0.00 46.19 43.08 2bfa s LEU 35 CO 0.11 -1.07 0.80 -2.28 0.23 0.00 0.00 176.35 174.15 2bfa s HIS 36 N 3.57 3.42 0.19 0.29 5.65 -0.44 -1.37 115.29 126.59 2bfa s HIS 36 Ca 0.29 1.21 -0.19 0.00 0.25 0.00 0.00 55.06 56.62 2bfa s HIS 36 Cb -0.13 -2.56 0.04 0.00 -1.18 0.00 0.00 32.58 28.76 2bfa s HIS 36 CO 0.20 -0.07 0.56 1.52 -0.65 0.00 0.00 174.74 176.29 2bfa s TYR 37 N -2.26 -0.27 0.01 3.88 -0.85 -0.16 -1.32 117.35 116.37 2bfa s TYR 37 Ca 0.54 -0.04 -0.03 0.00 -0.52 0.00 0.00 57.07 57.02 2bfa s TYR 37 Cb -0.10 0.47 -0.01 0.00 0.38 0.00 0.00 41.96 42.70 2bfa s TYR 37 CO 0.25 -0.91 -0.05 1.58 -1.52 0.00 0.00 175.55 174.90 2bfa n HIS 38 N -0.35 0.00 -0.03 -3.49 -0.00 -1.26 -1.24 115.22 108.85 2bfa n HIS 38 Ca -0.12 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.61 2bfa n HIS 38 Cb 0.63 -0.08 -0.09 0.00 -0.00 0.00 0.00 29.99 30.45 2bfa n HIS 38 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2bfa n ARG 39 N -3.14 1.05 -1.63 1.57 1.74 -1.26 -4.72 116.66 110.27 2bfa n ARG 39 Ca -0.02 -0.07 -0.39 0.00 -0.77 0.00 0.00 57.85 56.60 2bfa n ARG 39 Cb 0.08 -1.29 -0.02 0.00 -1.02 0.00 0.00 32.46 30.21 2bfa n ARG 39 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2bfa n SER 40 N -2.12 8.37 -0.05 0.55 7.64 -1.26 -4.69 113.62 122.06 2bfa n SER 40 Ca -0.09 -2.85 -0.10 0.00 1.01 0.00 0.00 58.87 56.84 2bfa n SER 40 Cb 0.54 -1.46 -0.04 0.00 -1.01 0.00 0.00 64.21 62.24 2bfa n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bfa h ALA 41 N 4.76 0.26 -0.21 -0.43 0.00 -1.96 -1.69 119.26 119.99 2bfa h ALA 41 Ca 0.78 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.72 2bfa h ALA 41 Cb 0.31 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2bfa h ALA 41 CO 1.61 -0.25 -0.13 0.00 0.00 0.00 0.00 179.25 180.48 2bfa h ALA 42 N 1.05 0.03 -0.46 0.00 0.00 -2.00 -0.08 119.26 117.81 2bfa h ALA 42 Ca 0.07 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 2bfa h ALA 42 Cb -0.01 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2bfa h ALA 42 CO -0.01 -0.55 -0.09 0.93 0.00 0.00 0.00 179.25 179.52 2bfa h GLU 43 N -0.12 0.87 -0.21 0.00 3.07 -1.88 -0.99 114.58 115.30 2bfa h GLU 43 Ca 0.12 -0.32 0.01 0.00 -0.50 0.00 0.00 59.36 58.67 2bfa h GLU 43 Cb 0.30 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.14 2bfa h GLU 43 CO -0.29 0.96 0.11 0.00 -1.40 0.00 0.00 179.01 178.39 2bfa h ALA 44 N 0.88 0.26 -0.60 3.43 0.00 -0.90 0.10 119.26 122.43 2bfa h ALA 44 Ca 0.12 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2bfa h ALA 44 Cb 0.62 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2bfa h ALA 44 CO 0.04 -0.30 0.14 -0.91 0.00 0.00 0.00 179.25 178.23 2bfa h ASN 45 N 0.24 0.87 -0.76 0.00 2.35 -0.90 -0.39 115.58 116.99 2bfa h ASN 45 Ca 0.09 -0.17 -0.04 0.00 -0.55 0.00 0.00 56.30 55.63 2bfa h ASN 45 Cb 0.01 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 2bfa h ASN 45 CO -0.05 0.85 0.33 0.00 -1.65 0.00 0.00 177.43 176.91 2bfa h ALA 46 N 1.26 0.98 -0.37 -0.83 0.00 -0.78 0.15 119.26 119.68 2bfa h ALA 46 Ca 0.19 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2bfa h ALA 46 Cb 0.32 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2bfa h ALA 46 CO -0.00 0.58 0.06 1.25 0.00 0.00 0.00 179.25 181.14 2bfa h LEU 47 N 1.08 0.59 -0.42 0.00 5.85 -0.43 -1.66 115.31 120.32 2bfa h LEU 47 Ca 0.26 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.76 2bfa h LEU 47 Cb 0.17 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 2bfa h LEU 47 CO -0.03 0.70 0.19 -1.28 -0.34 0.00 0.00 178.44 177.68 2bfa h SER 48 N 0.46 0.26 -0.40 1.25 0.87 -0.80 -0.33 113.55 114.85 2bfa h SER 48 Ca 0.11 0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.73 2bfa h SER 48 Cb 0.36 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.27 2bfa h SER 48 CO 0.01 0.19 0.20 0.00 -0.53 0.00 0.00 176.83 176.69 2bfa h ALA 49 N 1.24 0.49 0.17 6.23 0.00 -0.74 0.33 119.26 126.98 2bfa h ALA 49 Ca 0.18 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2bfa h ALA 49 Cb 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2bfa h ALA 49 CO -0.15 -0.16 -0.13 1.15 0.00 0.00 0.00 179.25 179.96 2bfa h THR 50 N 0.40 0.72 -0.83 0.00 2.02 -0.79 0.04 112.91 114.48 2bfa h THR 50 Ca 0.17 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.32 2bfa h THR 50 Cb 0.08 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 2bfa h THR 50 CO -0.12 0.00 0.42 -0.07 0.37 0.00 0.00 175.52 176.12 2bfa h LEU 51 N -0.31 1.07 -0.61 2.58 3.38 -0.64 -1.66 115.31 119.13 2bfa h LEU 51 Ca -0.01 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.72 2bfa h LEU 51 Cb 0.27 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2bfa h LEU 51 CO -0.00 0.89 -0.15 0.78 0.09 0.00 0.00 178.44 180.05 2bfa h ASN 52 N 1.18 0.95 -0.84 -0.43 2.35 -0.15 -0.97 115.58 117.67 2bfa h ASN 52 Ca 0.29 -0.32 -0.03 0.00 -0.55 0.00 0.00 56.30 55.69 2bfa h ASN 52 Cb 0.09 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.16 2bfa h ASN 52 CO -0.04 1.09 0.42 0.00 -1.65 0.00 0.00 177.43 177.25 2bfa h ALA 53 N 0.99 1.14 -0.56 -0.83 0.00 -0.59 -2.03 119.26 117.38 2bfa h ALA 53 Ca 0.12 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2bfa h ALA 53 Cb 0.70 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2bfa h ALA 53 CO 0.05 0.66 -0.03 -0.09 0.00 0.00 0.00 179.25 179.84 2bfa h ARG 54 N 1.20 1.01 -1.93 0.00 2.43 -1.07 -3.42 114.38 112.60 2bfa h ARG 54 Ca 0.29 -0.34 -0.19 0.00 -0.81 0.00 0.00 59.98 58.94 2bfa h ARG 54 Cb 0.10 -0.08 -0.30 0.00 -0.42 0.00 0.00 29.97 29.26 2bfa h ARG 54 CO -0.04 1.02 -0.52 0.50 -1.51 0.00 0.00 179.97 179.42 2bfa s ARG 55 N -4.97 0.35 0.22 0.20 3.52 -0.39 -5.11 118.95 112.77 2bfa s ARG 55 Ca -0.12 0.36 -0.31 0.00 -0.13 0.00 0.00 55.73 55.53 2bfa s ARG 55 Cb 0.13 -0.52 -0.15 0.00 -1.56 0.00 0.00 34.95 32.85 2bfa s ARG 55 CO 0.85 -0.76 1.11 -2.30 -0.81 0.00 0.00 175.30 173.38 2bfa n PRO 56 N 5.35 1.28 -3.78 5.12 -0.02 -0.80 -2.57 135.00 139.59 2bfa n PRO 56 Ca -0.03 0.45 -0.24 0.00 -2.02 0.00 0.00 63.50 61.66 2bfa n PRO 56 Cb 0.50 -1.90 0.03 0.00 -0.02 0.00 0.00 33.50 32.10 2bfa n PRO 56 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2bfa n ASN 57 N 1.71 -2.31 -0.11 2.55 5.15 -1.26 -4.91 115.26 116.08 2bfa n ASN 57 Ca 0.13 -0.81 0.01 0.00 -0.60 0.00 0.00 54.58 53.30 2bfa n ASN 57 Cb 0.28 -3.96 0.02 0.00 -0.53 0.00 0.00 39.78 35.59 2bfa n ASN 57 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2bfa n SER 58 N -2.98 1.76 -3.60 1.20 3.41 -1.06 -4.98 113.62 107.37 2bfa n SER 58 Ca -0.19 -1.61 -0.15 0.00 -0.26 0.00 0.00 58.87 56.66 2bfa n SER 58 Cb 0.63 -0.03 -0.07 0.00 -0.26 0.00 0.00 64.21 64.49 2bfa n SER 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bfa s ALA 59 N -0.65 -1.78 0.10 7.33 0.00 -1.26 -0.56 121.76 124.94 2bfa s ALA 59 Ca 0.04 1.84 -0.06 0.00 0.00 0.00 0.00 51.96 53.78 2bfa s ALA 59 Cb 0.02 -0.87 -0.02 0.00 0.00 0.00 0.00 23.12 22.25 2bfa s ALA 59 CO 0.03 -0.35 0.14 0.96 0.00 0.00 0.00 175.76 176.54 2bfa s ILE 60 N -0.04 0.14 0.00 0.00 -4.36 -0.82 -4.89 121.20 111.23 2bfa s ILE 60 Ca -0.03 -1.49 0.07 0.00 -0.26 0.00 0.00 60.65 58.94 2bfa s ILE 60 Cb -0.04 -1.60 -0.02 0.00 1.25 0.00 0.00 42.46 42.05 2bfa s ILE 60 CO 0.03 -0.63 -0.23 0.42 0.24 0.00 0.00 174.94 174.78 2bfa s THR 61 N -3.93 1.80 -0.02 8.37 -4.23 -1.26 0.15 115.64 116.52 2bfa s THR 61 Ca 0.11 -1.05 0.02 0.00 -1.18 0.00 0.00 61.69 59.59 2bfa s THR 61 Cb 0.06 -1.51 0.01 0.00 1.34 0.00 0.00 72.50 72.39 2bfa s THR 61 CO -0.06 0.44 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.70 2bfa s VAL 62 N -0.61 0.61 -0.07 2.29 1.01 -0.47 -4.94 120.40 118.22 2bfa s VAL 62 Ca 0.09 -0.26 -0.07 0.00 0.00 0.00 0.00 61.98 61.74 2bfa s VAL 62 Cb -0.09 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 2bfa s VAL 62 CO -0.00 0.20 0.19 -1.58 0.00 0.00 0.00 175.10 173.91 2bfa s GLN 63 N 0.26 3.49 -0.29 2.72 -0.44 -1.26 -0.99 119.66 123.16 2bfa s GLN 63 Ca -0.03 -0.12 -0.16 0.00 -2.50 0.00 0.00 55.36 52.55 2bfa s GLN 63 Cb -0.08 -3.16 0.16 0.00 -1.64 0.00 0.00 33.01 28.29 2bfa s GLN 63 CO 0.00 0.73 1.04 0.00 0.50 0.00 0.00 175.29 177.56 2bfa s ALA 64 N -1.13 -2.40 -0.18 1.58 0.00 -0.37 -4.93 121.76 114.33 2bfa s ALA 64 Ca 0.20 2.15 -0.29 0.00 0.00 0.00 0.00 51.96 54.01 2bfa s ALA 64 Cb -0.13 -1.80 -0.00 0.00 0.00 0.00 0.00 23.12 21.19 2bfa s ALA 64 CO 0.09 -0.39 1.10 0.34 0.00 0.00 0.00 175.76 176.90 2bfa s ASP 65 N 1.37 7.08 0.00 0.00 -1.08 -1.26 -4.39 116.67 118.40 2bfa s ASP 65 Ca -0.08 1.52 0.20 0.00 -0.52 0.00 0.00 52.55 53.66 2bfa s ASP 65 Cb -0.03 -2.54 0.55 0.00 -1.46 0.00 0.00 42.92 39.43 2bfa s ASP 65 CO -0.14 -0.65 1.46 0.18 0.52 0.00 0.00 175.17 176.54 2bfa n LEU 66 N 6.07 3.33 -4.78 -1.34 4.77 -1.26 -4.93 117.00 118.87 2bfa n LEU 66 Ca 0.12 -1.65 -0.34 0.00 -0.03 0.00 0.00 56.01 54.11 2bfa n LEU 66 Cb 0.46 -0.41 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 2bfa n LEU 66 CO 0.53 0.83 0.76 -0.55 -1.33 0.00 0.00 177.39 177.63 2bfa s SER 67 N -1.04 5.53 -1.43 -1.43 0.15 -1.26 -2.40 113.70 111.81 2bfa s SER 67 Ca 0.42 2.06 -0.10 0.00 0.70 0.00 0.00 55.95 59.03 2bfa s SER 67 Cb 0.22 -2.56 -0.06 0.00 -1.71 0.00 0.00 66.02 61.90 2bfa s SER 67 CO 0.29 -1.35 2.64 -3.20 1.20 0.00 0.00 173.24 172.82 2bfa n ASN 68 N -1.77 7.00 -4.20 5.45 5.15 0.14 -4.79 115.26 122.24 2bfa n ASN 68 Ca 0.11 -2.57 -0.12 0.00 -0.60 0.00 0.00 54.58 51.39 2bfa n ASN 68 Cb 0.52 -1.47 -0.10 0.00 -0.53 0.00 0.00 39.78 38.19 2bfa n ASN 68 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2bfa s VAL 69 N 2.69 0.20 0.00 3.44 -7.23 -1.26 -4.85 120.40 113.40 2bfa s VAL 69 Ca 0.60 -1.96 -0.18 0.00 -1.81 0.00 0.00 61.98 58.63 2bfa s VAL 69 Cb 0.16 -2.29 -0.06 0.00 0.56 0.00 0.00 36.38 34.75 2bfa s VAL 69 CO -0.05 -0.24 0.51 0.00 -0.31 0.00 0.00 175.10 175.00 2bfa s ALA 70 N -4.00 3.59 0.53 1.32 0.00 -1.26 -3.90 121.76 118.05 2bfa s ALA 70 Ca 0.31 -0.09 0.04 0.00 0.00 0.00 0.00 51.96 52.22 2bfa s ALA 70 Cb 0.07 -2.58 0.02 0.00 0.00 0.00 0.00 23.12 20.64 2bfa s ALA 70 CO 0.07 0.32 0.27 0.95 0.00 0.00 0.00 175.76 177.37 2bfa s THR 71 N -0.64 1.48 0.18 0.00 -4.23 -0.35 -4.90 115.64 107.17 2bfa s THR 71 Ca 0.27 -1.66 -0.27 0.00 -1.18 0.00 0.00 61.69 58.86 2bfa s THR 71 Cb -0.18 -2.14 -0.08 0.00 1.34 0.00 0.00 72.50 71.45 2bfa s THR 71 CO 0.15 0.00 0.83 0.00 -0.54 0.00 0.00 174.62 175.06 2bfa s ALA 72 N -2.81 3.41 0.00 3.99 0.00 -1.26 -1.70 121.76 123.39 2bfa s ALA 72 Ca 0.24 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.65 2bfa s ALA 72 Cb -0.01 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 20.07 2bfa s ALA 72 CO 0.15 0.26 0.00 -0.35 0.00 0.00 0.00 175.76 175.82 2bfa n PRO 73 N 1.62 0.00 0.00 0.00 -0.04 -1.26 -4.79 135.00 130.52 2bfa n PRO 73 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 2bfa n PRO 73 Cb 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 2bfa n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bfa n ALA 81 N -3.00 -0.55 -1.76 0.55 0.00 -1.26 -5.08 120.51 109.40 2bfa n ALA 81 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 2bfa n ALA 81 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2bfa n ALA 81 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2bfa s PRO 82 N 0.00 4.46 -0.23 0.00 0.02 -1.26 -5.02 135.00 132.97 2bfa s PRO 82 Ca 0.00 1.98 -0.15 0.00 0.02 0.00 0.00 61.00 62.85 2bfa s PRO 82 Cb 0.00 -3.08 -0.04 0.00 0.02 0.00 0.00 34.50 31.40 2bfa s PRO 82 CO 0.00 -0.02 0.37 0.08 -0.33 0.00 0.00 177.00 177.10 2bfa s VAL 83 N -1.18 5.20 0.69 3.83 1.01 -0.69 -4.90 120.40 124.36 2bfa s VAL 83 Ca 0.48 0.62 -0.10 0.00 0.00 0.00 0.00 61.98 62.97 2bfa s VAL 83 Cb -0.35 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.35 2bfa s VAL 83 CO 0.46 0.23 1.06 0.42 0.00 0.00 0.00 175.10 177.26 2bfa s THR 84 N 1.53 3.36 0.24 3.92 -4.23 -1.26 -1.22 115.64 117.99 2bfa s THR 84 Ca 0.17 0.31 -0.06 0.00 -1.18 0.00 0.00 61.69 60.92 2bfa s THR 84 Cb -0.15 -3.42 0.22 0.00 1.34 0.00 0.00 72.50 70.49 2bfa s THR 84 CO 0.08 -0.52 1.87 0.25 -0.54 0.00 0.00 174.62 175.76 2bfa h LEU 85 N -0.58 1.11 0.36 4.79 5.85 -1.87 -1.89 115.31 123.08 2bfa h LEU 85 Ca -0.45 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.17 2bfa h LEU 85 Cb 1.26 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 2bfa h LEU 85 CO 0.63 0.88 -0.30 0.15 -0.34 0.00 0.00 178.44 179.46 2bfa h PHE 86 N 1.25 -0.81 -0.47 1.25 3.57 -1.94 0.18 116.94 119.96 2bfa h PHE 86 Ca 0.32 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.91 2bfa h PHE 86 Cb 0.01 0.31 -0.09 0.00 2.79 0.00 0.00 35.95 38.96 2bfa h PHE 86 CO 0.01 -0.44 -0.10 1.15 -2.23 0.00 0.00 178.31 176.69 2bfa h THR 87 N -0.67 0.54 -0.84 4.41 2.02 -1.91 0.41 112.91 116.86 2bfa h THR 87 Ca -0.03 -0.01 0.07 0.00 0.77 0.00 0.00 66.41 67.22 2bfa h THR 87 Cb 0.59 0.52 -0.06 0.00 -1.74 0.00 0.00 68.15 67.47 2bfa h THR 87 CO -0.02 0.00 0.55 0.03 0.37 0.00 0.00 175.52 176.45 2bfa h ARG 88 N 0.01 0.87 -0.23 6.66 3.08 -0.93 0.96 114.38 124.81 2bfa h ARG 88 Ca 0.23 -0.05 -0.18 0.00 0.07 0.00 0.00 59.98 60.05 2bfa h ARG 88 Cb 0.35 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2bfa h ARG 88 CO -0.48 0.57 -0.56 0.00 -1.07 0.00 0.00 179.97 178.44 2bfa h ALA 90 N 0.62 1.17 -0.00 0.00 0.00 0.53 -1.90 119.26 119.67 2bfa h ALA 90 Ca -0.01 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 2bfa h ALA 90 Cb 1.18 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2bfa h ALA 90 CO 0.12 0.63 -0.40 0.93 0.00 0.00 0.00 179.25 180.53 2bfa h GLU 91 N 1.11 0.00 0.00 0.00 5.08 -0.81 0.11 114.58 120.08 2bfa h GLU 91 Ca 0.27 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2bfa h GLU 91 Cb 0.13 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2bfa h GLU 91 CO -0.03 0.41 -0.00 1.25 -1.00 0.00 0.00 179.01 179.63 2bfa h LEU 92 N 0.00 -0.00 -0.50 1.33 7.12 -0.87 -0.05 115.31 122.34 2bfa h LEU 92 Ca -0.00 -0.09 -0.14 0.00 0.13 0.00 0.00 57.88 57.77 2bfa h LEU 92 Cb 0.72 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.84 2bfa h LEU 92 CO 0.05 0.09 -0.33 0.58 -0.13 0.00 0.00 178.44 178.70 2bfa h VAL 93 N -0.09 1.28 -0.92 1.05 2.07 -1.17 -3.01 116.25 115.46 2bfa h VAL 93 Ca -0.00 -1.49 0.02 0.00 0.82 0.00 0.00 66.70 66.05 2bfa h VAL 93 Cb 0.09 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 2bfa h VAL 93 CO 0.00 0.50 0.60 0.00 0.02 0.00 0.00 177.57 178.69 2bfa h ALA 94 N 0.89 1.19 -0.91 1.67 0.00 -0.63 -1.46 119.26 120.01 2bfa h ALA 94 Ca 0.07 -0.05 0.21 0.00 0.00 0.00 0.00 54.91 55.14 2bfa h ALA 94 Cb 0.90 -0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 2bfa h ALA 94 CO 0.08 0.50 0.60 0.00 0.00 0.00 0.00 179.25 180.44 2bfa h ALA 95 N 1.36 2.21 -0.10 0.00 0.00 -0.85 0.36 119.26 122.24 2bfa h ALA 95 Ca 0.35 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 2bfa h ALA 95 Cb -0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2bfa h ALA 95 CO -0.10 -0.51 -0.03 0.00 0.00 0.00 0.00 179.25 178.61 2bfa h TYR 97 N -0.14 1.09 -0.40 0.00 -1.99 -0.91 0.13 116.97 114.76 2bfa h TYR 97 Ca 0.02 -0.20 -0.06 0.00 2.00 0.00 0.00 58.73 60.50 2bfa h TYR 97 Cb 0.46 -0.28 -0.02 0.00 2.00 0.00 0.00 36.73 38.89 2bfa h TYR 97 CO 0.06 0.99 -0.00 1.15 -0.00 0.00 0.00 178.16 180.36 2bfa h THR 98 N 0.90 1.22 0.11 -2.88 2.02 -0.39 0.27 112.91 114.15 2bfa h THR 98 Ca 0.15 -0.88 -0.36 0.00 0.77 0.00 0.00 66.41 66.09 2bfa h THR 98 Cb 0.59 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 2bfa h THR 98 CO 0.04 0.31 -2.02 1.57 0.37 0.00 0.00 175.52 175.79 2bfa n HIS 99 N -4.25 1.14 -0.15 3.16 -0.00 -0.87 -4.62 115.22 109.63 2bfa n HIS 99 Ca 0.02 0.25 0.00 0.00 -0.00 0.00 0.00 57.72 57.99 2bfa n HIS 99 Cb 0.27 -1.15 0.00 0.00 -0.00 0.00 0.00 29.99 29.11 2bfa n HIS 99 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.34 177.25 2bfa n TRP 100 N -3.43 0.00 -1.32 1.57 8.01 0.45 -5.01 117.44 117.70 2bfa n TRP 100 Ca -0.32 0.00 -0.11 0.00 -1.31 0.00 0.00 57.50 55.76 2bfa n TRP 100 Cb 1.04 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 30.30 2bfa n TRP 100 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2bfa n GLY 101 N 0.24 1.24 3.59 6.99 0.00 0.94 -4.95 105.19 113.23 2bfa n GLY 101 Ca 0.00 -0.51 -0.06 0.00 0.00 0.00 0.00 46.02 45.45 2bfa n GLY 101 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2bfa s ARG 102 N -2.94 0.86 -0.29 1.61 1.70 -1.25 -4.89 118.95 113.76 2bfa s ARG 102 Ca 0.00 -0.39 0.02 0.00 -0.47 0.00 0.00 55.73 54.89 2bfa s ARG 102 Cb 0.00 0.35 0.16 0.00 -0.57 0.00 0.00 34.95 34.90 2bfa s ARG 102 CO 0.00 -0.39 0.43 0.00 -1.08 0.00 0.00 175.30 174.26 2bfa n ASP 104 N 5.36 1.39 -4.10 0.00 8.00 0.37 -4.92 116.55 122.65 2bfa n ASP 104 Ca 0.01 0.24 -0.24 0.00 0.71 0.00 0.00 54.79 55.51 2bfa n ASP 104 Cb 0.50 -0.31 -0.16 0.00 -0.02 0.00 0.00 41.12 41.13 2bfa n ASP 104 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2bfa s VAL 105 N -2.56 1.24 -0.12 2.53 1.01 -0.46 -1.62 120.40 120.42 2bfa s VAL 105 Ca -0.15 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.23 2bfa s VAL 105 Cb 0.07 -1.07 0.01 0.00 0.00 0.00 0.00 36.38 35.39 2bfa s VAL 105 CO 0.78 0.36 -0.17 -0.22 0.00 0.00 0.00 175.10 175.85 2bfa s LEU 106 N 0.06 1.85 -0.33 3.92 2.96 -0.70 0.49 118.68 126.93 2bfa s LEU 106 Ca -0.03 -0.48 -0.02 0.00 -0.22 0.00 0.00 54.13 53.38 2bfa s LEU 106 Cb -0.10 -1.20 0.07 0.00 0.50 0.00 0.00 46.19 45.45 2bfa s LEU 106 CO 0.01 0.04 0.05 -0.69 -1.32 0.00 0.00 176.35 174.44 2bfa s VAL 107 N 0.91 3.01 -1.01 1.68 1.01 0.60 -0.57 120.40 126.03 2bfa s VAL 107 Ca -0.07 -1.58 -0.23 0.00 0.00 0.00 0.00 61.98 60.09 2bfa s VAL 107 Cb -0.15 -2.83 0.05 0.00 0.00 0.00 0.00 36.38 33.45 2bfa s VAL 107 CO -0.01 -0.26 1.43 0.20 0.00 0.00 0.00 175.10 176.46 2bfa s ASN 108 N 1.35 6.49 -0.11 3.32 0.01 0.26 -2.36 114.94 123.91 2bfa s ASN 108 Ca -0.01 -1.44 0.06 0.00 -0.71 0.00 0.00 52.86 50.76 2bfa s ASN 108 Cb -0.20 -2.56 -0.11 0.00 0.41 0.00 0.00 41.25 38.78 2bfa s ASN 108 CO -0.02 -1.50 -0.01 -3.20 -1.51 0.00 0.00 177.10 170.85 2bfa n ASN 109 N 8.82 2.68 -4.66 -1.22 5.15 -1.25 -1.36 115.26 123.43 2bfa n ASN 109 Ca 0.32 -0.02 -0.44 0.00 -0.60 0.00 0.00 54.58 53.84 2bfa n ASN 109 Cb 0.51 0.45 -0.02 0.00 -0.53 0.00 0.00 39.78 40.20 2bfa n ASN 109 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2bfa n ALA 110 N -2.52 0.76 -3.58 5.20 0.00 -1.10 -4.88 120.51 114.38 2bfa n ALA 110 Ca -0.18 0.39 -0.02 0.00 0.00 0.00 0.00 53.44 53.63 2bfa n ALA 110 Cb 0.80 -2.19 -0.06 0.00 0.00 0.00 0.00 19.45 18.00 2bfa n ALA 110 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2bfa s SER 111 N -0.16 -0.57 0.40 0.00 0.15 -1.26 -4.39 113.70 107.87 2bfa s SER 111 Ca 0.61 0.88 -0.17 0.00 0.70 0.00 0.00 55.95 57.97 2bfa s SER 111 Cb -0.64 1.38 -0.09 0.00 -1.71 0.00 0.00 66.02 64.95 2bfa s SER 111 CO 0.57 -0.13 0.85 -0.44 1.20 0.00 0.00 173.24 175.29 2bfa s SER 112 N 1.70 6.77 -0.29 5.45 0.01 -1.26 -5.03 113.70 121.05 2bfa s SER 112 Ca -0.07 1.44 0.02 0.00 1.31 0.00 0.00 55.95 58.65 2bfa s SER 112 Cb -0.05 -2.44 0.17 0.00 0.21 0.00 0.00 66.02 63.91 2bfa s SER 112 CO -0.16 -0.35 0.45 0.12 0.41 0.00 0.00 173.24 173.71 2bfa s PHE 113 N -2.21 -1.18 0.16 2.43 5.36 -1.26 -4.90 117.98 116.38 2bfa s PHE 113 Ca 0.57 0.59 -0.20 0.00 -0.96 0.00 0.00 56.93 56.93 2bfa s PHE 113 Cb -0.10 -0.01 0.05 0.00 -0.34 0.00 0.00 43.02 42.62 2bfa s PHE 113 CO 0.20 -0.97 0.53 1.52 -1.46 0.00 0.00 175.22 175.05 2bfa s TYR 114 N 2.61 -0.36 0.40 10.12 -0.85 -1.26 -5.16 117.35 122.86 2bfa s TYR 114 Ca 0.11 0.09 -0.27 0.00 -0.52 0.00 0.00 57.07 56.48 2bfa s TYR 114 Cb -0.12 0.45 -0.09 0.00 0.38 0.00 0.00 41.96 42.57 2bfa s TYR 114 CO -0.27 -0.83 1.40 -2.14 -1.52 0.00 0.00 175.55 172.18 2bfa s PRO 115 N -3.79 3.95 -0.46 -3.49 0.02 -1.26 -4.78 135.00 125.19 2bfa s PRO 115 Ca 0.03 2.37 0.06 0.00 0.02 0.00 0.00 61.00 63.49 2bfa s PRO 115 Cb -0.00 -2.82 0.22 0.00 0.02 0.00 0.00 34.50 31.92 2bfa s PRO 115 CO -0.10 -0.58 0.49 0.25 -0.33 0.00 0.00 177.00 176.73 2bfa n THR 116 N 0.18 -0.25 -1.83 0.99 -2.24 0.11 -4.99 114.28 106.25 2bfa n THR 116 Ca 0.03 -4.06 -0.40 0.00 -2.27 0.00 0.00 64.05 57.35 2bfa n THR 116 Cb 0.41 -1.90 0.02 0.00 -2.10 0.00 0.00 70.33 66.76 2bfa n THR 116 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 2bfa s PRO 117 N -0.98 3.69 0.03 -0.78 0.02 -1.15 -4.18 135.00 131.64 2bfa s PRO 117 Ca 0.34 2.37 0.06 0.00 0.02 0.00 0.00 61.00 63.80 2bfa s PRO 117 Cb 0.11 -2.65 -0.23 0.00 0.02 0.00 0.00 34.50 31.75 2bfa s PRO 117 CO -0.13 -0.79 0.93 -0.07 -0.33 0.00 0.00 177.00 176.61 2bfa h LEU 118 N 2.32 0.10 -8.92 -5.54 3.38 -2.01 -3.45 115.31 101.20 2bfa h LEU 118 Ca -0.51 -0.15 -0.63 0.00 0.09 0.00 0.00 57.88 56.69 2bfa h LEU 118 Cb 1.26 -0.03 -0.20 0.00 0.09 0.00 0.00 40.66 41.79 2bfa h LEU 118 CO 0.61 1.12 -0.62 -0.76 0.09 0.00 0.00 178.44 178.88 2bfa s LEU 119 N -6.55 3.47 1.04 1.67 1.43 -1.26 -5.25 118.68 113.23 2bfa s LEU 119 Ca -0.04 -0.06 -0.15 0.00 -1.03 0.00 0.00 54.13 52.85 2bfa s LEU 119 Cb 0.08 -1.86 0.21 0.00 0.03 0.00 0.00 46.19 44.65 2bfa s LEU 119 CO 0.83 0.15 1.15 -0.13 0.23 0.00 0.00 176.35 178.58 2bfa s ARG 120 N 0.48 0.10 0.00 1.70 3.00 -1.26 -5.15 118.95 117.82 2bfa s ARG 120 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 55.73 55.80 2bfa s ARG 120 Cb -0.14 -1.74 0.00 0.00 0.00 0.00 0.00 34.95 33.08 2bfa s ARG 120 CO 0.02 -2.86 0.00 -3.47 0.00 0.00 0.00 175.30 168.99 2bfa n ASP 132 N -4.18 -0.04 -0.30 0.23 -0.08 -1.26 -5.18 116.55 105.74 2bfa n ASP 132 Ca 0.10 0.05 0.13 0.00 -1.51 0.00 0.00 54.79 53.55 2bfa n ASP 132 Cb 0.59 0.13 0.29 0.00 2.34 0.00 0.00 41.12 44.47 2bfa n ASP 132 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 2bfa h ARG 133 N 0.00 0.20 -0.09 -0.67 0.11 -2.06 -0.01 114.38 111.86 2bfa h ARG 133 Ca 0.00 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.05 2bfa h ARG 133 Cb 0.00 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 31.03 2bfa h ARG 133 CO 0.00 0.13 0.01 0.93 0.10 0.00 0.00 179.97 181.14 2bfa h GLU 134 N 0.21 0.16 0.00 0.08 5.08 -2.05 -2.66 114.58 115.39 2bfa h GLU 134 Ca 0.55 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.86 2bfa h GLU 134 Cb 1.10 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2bfa h GLU 134 CO -0.65 0.39 0.00 0.00 -1.00 0.00 0.00 179.01 177.75 2bfa h ALA 135 N 0.76 1.00 0.15 3.43 0.00 -1.50 0.00 119.26 123.10 2bfa h ALA 135 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.65 2bfa h ALA 135 Cb 0.31 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.11 2bfa h ALA 135 CO 0.00 0.00 -1.42 1.98 0.00 0.00 0.00 179.25 179.81 2bfa h MET 136 N 0.00 0.31 -0.01 0.00 -1.53 -0.90 -2.99 114.93 109.81 2bfa h MET 136 Ca 0.00 -0.54 -0.17 0.00 -3.44 0.00 0.00 59.70 55.55 2bfa h MET 136 Cb 0.22 0.20 -0.02 0.00 -0.55 0.00 0.00 31.60 31.46 2bfa h MET 136 CO 0.00 1.26 -0.78 0.93 0.14 0.00 0.00 176.91 178.46 2bfa h GLU 137 N -0.17 0.13 -0.16 0.39 4.39 -1.11 -2.37 114.58 115.68 2bfa h GLU 137 Ca -0.29 -0.13 -0.19 0.00 0.34 0.00 0.00 59.36 59.09 2bfa h GLU 137 Cb 1.86 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.55 2bfa h GLU 137 CO 0.12 0.84 -0.69 1.15 -1.16 0.00 0.00 179.01 179.27 2bfa h THR 138 N 0.08 1.32 -0.44 1.13 2.02 -1.16 -2.57 112.91 113.29 2bfa h THR 138 Ca -0.02 -1.96 -0.10 0.00 0.77 0.00 0.00 66.41 65.10 2bfa h THR 138 Cb 1.36 1.93 -0.01 0.00 -1.74 0.00 0.00 68.15 69.69 2bfa h THR 138 CO 0.11 0.61 -0.13 0.00 0.37 0.00 0.00 175.52 176.49 2bfa h ALA 139 N 0.77 0.61 0.31 6.16 0.00 -1.51 -0.63 119.26 124.98 2bfa h ALA 139 Ca -0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2bfa h ALA 139 Cb 1.28 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2bfa h ALA 139 CO 0.13 0.52 -0.15 1.15 0.00 0.00 0.00 179.25 180.91 2bfa h THR 140 N 0.70 0.70 -0.82 0.00 2.02 -1.42 0.57 112.91 114.66 2bfa h THR 140 Ca 0.11 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 2bfa h THR 140 Cb 0.67 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.76 2bfa h THR 140 CO 0.05 0.01 0.44 0.00 0.37 0.00 0.00 175.52 176.39 2bfa h ALA 141 N 0.27 1.23 0.24 6.16 0.00 -1.46 0.01 119.26 125.71 2bfa h ALA 141 Ca -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2bfa h ALA 141 Cb 0.32 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2bfa h ALA 141 CO 0.07 0.62 -0.11 0.22 0.00 0.00 0.00 179.25 180.04 2bfa h ASP 142 N 1.15 -0.27 -0.70 0.00 3.58 -0.73 0.11 116.42 119.56 2bfa h ASP 142 Ca 0.29 -0.25 -0.04 0.00 0.42 0.00 0.00 57.03 57.45 2bfa h ASP 142 Cb 0.04 0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.13 2bfa h ASP 142 CO -0.05 0.23 0.27 -0.07 -2.88 0.00 0.00 179.24 176.74 2bfa h LEU 143 N -0.91 0.98 -0.09 2.28 3.38 0.13 -2.34 115.31 118.73 2bfa h LEU 143 Ca -0.03 -0.18 -0.23 0.00 0.09 0.00 0.00 57.88 57.52 2bfa h LEU 143 Cb 0.50 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2bfa h LEU 143 CO 0.05 0.90 -1.03 -0.26 0.09 0.00 0.00 178.44 178.19 2bfa h PHE 144 N 1.01 0.44 0.83 1.13 -1.00 -1.09 -3.04 116.94 115.22 2bfa h PHE 144 Ca 0.23 -0.27 -0.04 0.00 2.81 0.00 0.00 57.97 60.70 2bfa h PHE 144 Cb 0.23 -0.04 0.01 0.00 3.61 0.00 0.00 35.95 39.76 2bfa h PHE 144 CO 0.02 1.14 -0.40 0.78 -1.61 0.00 0.00 178.31 178.24 2bfa h GLY 145 N 1.63 -1.16 1.00 -1.45 0.00 -0.80 0.04 103.07 102.33 2bfa h GLY 145 Ca -0.08 0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.66 2bfa h GLY 145 CO 0.17 -0.42 0.32 1.48 0.00 0.00 0.00 176.54 178.08 2bfa h SER 146 N -1.27 0.81 1.36 0.19 4.64 -1.06 0.40 113.55 118.62 2bfa h SER 146 Ca -0.11 -0.12 -0.11 0.00 -0.47 0.00 0.00 61.79 60.98 2bfa h SER 146 Cb 0.85 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.72 2bfa h SER 146 CO 0.19 0.70 -0.66 0.78 -0.87 0.00 0.00 176.83 176.97 2bfa h ASN 147 N 0.86 0.00 0.00 4.97 2.35 -1.61 -3.41 115.58 118.74 2bfa h ASN 147 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 2bfa h ASN 147 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 2bfa h ASN 147 CO -0.03 0.48 -0.02 0.00 -1.65 0.00 0.00 177.43 176.20 2bfa n ALA 148 N -2.25 3.00 -0.11 -0.83 0.00 -0.41 -4.53 120.51 115.38 2bfa n ALA 148 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2bfa n ALA 148 Cb 0.74 0.05 -0.03 0.00 0.00 0.00 0.00 19.45 20.21 2bfa n ALA 148 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2bfa h ILE 149 N 0.00 1.26 -0.14 0.00 2.04 -0.81 -1.53 117.51 118.34 2bfa h ILE 149 Ca 0.00 -0.99 0.01 0.00 1.00 0.00 0.00 64.86 64.88 2bfa h ILE 149 Cb 0.02 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2bfa h ILE 149 CO 0.00 0.32 0.06 0.00 0.00 0.00 0.00 178.15 178.53 2bfa h ALA 150 N 0.84 0.15 -0.91 1.87 0.00 -0.43 -1.32 119.26 119.46 2bfa h ALA 150 Ca 0.09 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.13 2bfa h ALA 150 Cb 0.47 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 2bfa h ALA 150 CO 0.02 -0.38 0.58 -1.35 0.00 0.00 0.00 179.25 178.12 2bfa h PRO 151 N 0.13 0.80 0.38 0.00 0.11 -1.72 0.46 132.00 132.17 2bfa h PRO 151 Ca 0.05 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 2bfa h PRO 151 Cb 0.02 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 30.95 2bfa h PRO 151 CO -0.04 0.53 -0.18 -0.92 -0.21 0.00 0.00 178.00 177.17 2bfa h TYR 152 N 0.83 -0.47 -0.78 0.65 3.20 -0.60 0.71 116.97 120.51 2bfa h TYR 152 Ca 0.44 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.30 2bfa h TYR 152 Cb 0.55 0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.94 2bfa h TYR 152 CO -0.00 -0.23 0.48 0.74 -1.64 0.00 0.00 178.16 177.51 2bfa h PHE 153 N -0.62 1.01 -0.58 -3.82 0.04 -0.53 0.40 116.94 112.84 2bfa h PHE 153 Ca -0.05 0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.73 2bfa h PHE 153 Cb 0.45 -0.33 -0.03 0.00 2.20 0.00 0.00 35.95 38.24 2bfa h PHE 153 CO -0.02 0.66 0.37 -0.07 -0.60 0.00 0.00 178.31 178.65 2bfa h LEU 154 N 1.06 0.64 -0.71 1.54 3.38 0.01 0.16 115.31 121.39 2bfa h LEU 154 Ca 0.28 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.18 2bfa h LEU 154 Cb -0.07 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 2bfa h LEU 154 CO -0.06 0.46 0.22 0.40 0.09 0.00 0.00 178.44 179.56 2bfa h ILE 155 N 0.76 1.26 0.02 1.22 2.04 -0.17 0.64 117.51 123.28 2bfa h ILE 155 Ca 0.22 -0.89 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 2bfa h ILE 155 Cb -0.06 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 2bfa h ILE 155 CO -0.06 0.35 -0.01 0.50 0.00 0.00 0.00 178.15 178.93 2bfa h LYS 156 N 1.04 -0.02 -0.52 2.37 3.64 -0.23 0.11 116.57 122.96 2bfa h LYS 156 Ca 0.23 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.62 2bfa h LYS 156 Cb 0.30 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 2bfa h LYS 156 CO -0.01 0.03 0.34 0.00 -2.27 0.00 0.00 179.45 177.54 2bfa h ALA 157 N 0.91 0.66 -0.28 5.00 0.00 -0.54 -0.09 119.26 124.93 2bfa h ALA 157 Ca -0.00 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.91 2bfa h ALA 157 Cb 0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2bfa h ALA 157 CO 0.00 0.08 0.08 0.35 0.00 0.00 0.00 179.25 179.77 2bfa h PHE 158 N 0.69 0.14 -0.43 0.00 3.04 -0.55 -2.27 116.94 117.56 2bfa h PHE 158 Ca 0.20 0.01 -0.06 0.00 3.98 0.00 0.00 57.97 62.10 2bfa h PHE 158 Cb -0.06 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.41 2bfa h PHE 158 CO -0.04 0.06 0.04 0.00 -2.02 0.00 0.00 178.31 176.34 2bfa h ALA 159 N 1.18 0.58 -0.73 2.41 0.00 -0.41 -2.81 119.26 119.48 2bfa h ALA 159 Ca 0.12 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.85 2bfa h ALA 159 Cb 0.10 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 2bfa h ALA 159 CO -0.14 0.34 0.43 1.25 0.00 0.00 0.00 179.25 181.12 2bfa h HIS 160 N 0.59 0.79 -0.65 0.00 -0.00 -0.82 0.95 115.15 116.01 2bfa h HIS 160 Ca 0.13 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.47 2bfa h HIS 160 Cb 0.43 -0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 27.57 2bfa h HIS 160 CO 0.03 0.39 0.20 0.00 -0.00 0.00 0.00 177.93 178.55 2bfa h ARG 161 N 0.79 1.02 -0.24 5.26 2.47 -1.32 -0.01 114.38 122.34 2bfa h ARG 161 Ca 0.32 -0.22 -0.03 0.00 -1.26 0.00 0.00 59.98 58.79 2bfa h ARG 161 Cb 0.17 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.34 2bfa h ARG 161 CO -0.17 0.89 0.04 0.28 0.56 0.00 0.00 179.97 181.57 2bfa h VAL 162 N 0.95 1.23 -0.98 2.04 2.07 -1.17 -2.27 116.25 118.12 2bfa h VAL 162 Ca 0.21 -0.76 0.02 0.00 0.82 0.00 0.00 66.70 66.99 2bfa h VAL 162 Cb 0.30 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 2bfa h VAL 162 CO -0.01 0.24 0.65 0.00 0.02 0.00 0.00 177.57 178.47 2bfa h ALA 163 N 0.85 1.32 0.00 1.67 0.00 -0.62 -1.64 119.26 120.84 2bfa h ALA 163 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2bfa h ALA 163 Cb 0.32 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2bfa h ALA 163 CO 0.00 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.29 2bfa n GLY 164 N -1.38 -1.25 3.73 0.00 0.00 -0.04 -4.68 105.19 101.57 2bfa n GLY 164 Ca 0.12 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 2bfa n GLY 164 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bfa s THR 165 N -3.06 4.94 0.27 2.61 2.01 -0.62 -5.03 115.64 116.76 2bfa s THR 165 Ca 0.09 1.49 -0.30 0.00 0.31 0.00 0.00 61.69 63.27 2bfa s THR 165 Cb 0.12 -4.05 -0.11 0.00 0.01 0.00 0.00 72.50 68.47 2bfa s THR 165 CO 0.39 0.30 1.60 -2.84 -0.69 0.00 0.00 174.62 173.38 2bfa s PRO 166 N 0.44 4.14 0.17 4.92 0.02 -1.26 -4.84 135.00 138.58 2bfa s PRO 166 Ca 0.37 2.55 -0.24 0.00 0.02 0.00 0.00 61.00 63.70 2bfa s PRO 166 Cb -0.19 -3.04 0.03 0.00 0.02 0.00 0.00 34.50 31.32 2bfa s PRO 166 CO 0.20 -0.63 1.39 0.00 -0.33 0.00 0.00 177.00 177.62 2bfa n ALA 167 N 2.54 -0.41 0.23 -1.55 0.00 -1.26 -0.36 120.51 119.69 2bfa n ALA 167 Ca 0.09 0.81 0.18 0.00 0.00 0.00 0.00 53.44 54.52 2bfa n ALA 167 Cb 0.37 -0.22 0.84 0.00 0.00 0.00 0.00 19.45 20.44 2bfa n ALA 167 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2bfa h LYS 168 N 0.00 0.00 -0.04 0.00 2.10 -2.02 -0.97 116.57 115.65 2bfa h LYS 168 Ca 0.20 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.85 2bfa h LYS 168 Cb 0.43 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 2bfa h LYS 168 CO -0.86 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 177.31 2bfa n HIS 169 N -3.41 0.01 -1.84 0.07 8.25 0.51 -4.99 115.22 113.81 2bfa n HIS 169 Ca 0.02 -0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.15 2bfa n HIS 169 Cb 0.40 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.54 2bfa n HIS 169 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2bfa s ARG 170 N -1.99 3.08 0.98 -0.41 0.52 -0.37 -4.96 118.95 115.80 2bfa s ARG 170 Ca 0.29 1.17 -0.12 0.00 -0.52 0.00 0.00 55.73 56.55 2bfa s ARG 170 Cb 0.20 -2.00 0.18 0.00 0.52 0.00 0.00 34.95 33.85 2bfa s ARG 170 CO 0.30 -1.00 1.09 0.20 0.02 0.00 0.00 175.30 175.92 2bfa s GLY 171 N -3.03 1.57 0.00 -3.53 0.00 -1.26 -4.98 107.32 96.10 2bfa s GLY 171 Ca 0.63 -0.32 0.15 0.00 0.00 0.00 0.00 44.72 45.17 2bfa s GLY 171 CO 0.43 0.27 1.13 -1.30 0.00 0.00 0.00 173.10 173.63 2bfa n THR 172 N -4.13 0.41 -2.93 0.90 -2.24 -1.26 -4.76 114.28 100.27 2bfa n THR 172 Ca 0.05 -0.71 -0.13 0.00 -2.27 0.00 0.00 64.05 61.00 2bfa n THR 172 Cb 0.57 0.98 -0.00 0.00 -2.10 0.00 0.00 70.33 69.77 2bfa n THR 172 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2bfa n ASN 173 N 0.86 -1.96 -4.69 3.42 5.15 -1.26 -5.08 115.26 111.68 2bfa n ASN 173 Ca 0.12 -2.99 -0.41 0.00 -0.60 0.00 0.00 54.58 50.70 2bfa n ASN 173 Cb 0.42 0.94 -0.04 0.00 -0.53 0.00 0.00 39.78 40.57 2bfa n ASN 173 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2bfa s TYR 174 N 0.17 3.52 -0.03 1.20 2.02 -1.26 -4.75 117.35 118.22 2bfa s TYR 174 Ca 0.33 1.32 -0.01 0.00 -0.37 0.00 0.00 57.07 58.34 2bfa s TYR 174 Cb 0.16 -2.95 0.03 0.00 -0.40 0.00 0.00 41.96 38.80 2bfa s TYR 174 CO -0.17 -0.08 0.06 0.45 -1.57 0.00 0.00 175.55 174.24 2bfa s SER 175 N 1.00 0.02 -0.17 2.29 0.15 -0.64 -2.00 113.70 114.35 2bfa s SER 175 Ca 0.40 0.11 0.00 0.00 0.70 0.00 0.00 55.95 57.16 2bfa s SER 175 Cb -0.18 0.01 0.01 0.00 -1.71 0.00 0.00 66.02 64.15 2bfa s SER 175 CO 0.17 -0.12 -0.16 -0.63 1.20 0.00 0.00 173.24 173.70 2bfa s ILE 176 N 1.01 2.49 -0.19 6.45 1.01 0.46 -1.71 121.20 130.72 2bfa s ILE 176 Ca -0.08 -0.81 -0.03 0.00 0.00 0.00 0.00 60.65 59.72 2bfa s ILE 176 Cb -0.12 -2.06 -0.02 0.00 0.01 0.00 0.00 42.46 40.28 2bfa s ILE 176 CO -0.03 0.51 -0.05 -0.63 0.00 0.00 0.00 174.94 174.74 2bfa s ILE 177 N 1.07 3.52 -0.31 2.92 -1.09 0.26 -1.40 121.20 126.18 2bfa s ILE 177 Ca -0.01 -0.46 -0.11 0.00 -2.23 0.00 0.00 60.65 57.84 2bfa s ILE 177 Cb -0.14 -2.57 -0.03 0.00 -1.58 0.00 0.00 42.46 38.14 2bfa s ILE 177 CO -0.05 0.45 0.19 0.20 -1.23 0.00 0.00 174.94 174.51 2bfa s ASN 178 N 1.00 5.86 -0.54 3.58 0.01 0.58 -0.57 114.94 124.86 2bfa s ASN 178 Ca 0.00 -0.31 -0.28 0.00 -0.71 0.00 0.00 52.86 51.56 2bfa s ASN 178 Cb -0.15 -2.08 0.00 0.00 0.41 0.00 0.00 41.25 39.43 2bfa s ASN 178 CO 0.00 -0.16 1.53 -0.04 -1.51 0.00 0.00 177.10 176.93 2bfa s MET 179 N 1.70 3.21 0.00 -0.60 -1.94 -0.47 -1.29 119.30 119.91 2bfa s MET 179 Ca 0.06 0.62 0.00 0.00 -1.71 0.00 0.00 55.69 54.66 2bfa s MET 179 Cb -0.17 -4.17 0.00 0.00 2.01 0.00 0.00 34.83 32.50 2bfa s MET 179 CO 0.09 -2.04 0.00 1.33 -0.01 0.00 0.00 175.02 174.39 2bfa n VAL 180 N 6.99 0.00 -3.70 -6.03 0.24 0.95 -4.92 118.33 111.87 2bfa n VAL 180 Ca 0.15 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.25 2bfa n VAL 180 Cb 0.49 -0.46 -0.18 0.00 -1.47 0.00 0.00 33.84 32.22 2bfa n VAL 180 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2bfa s ASP 181 N -0.89 1.16 0.59 -1.34 -1.08 -1.26 -4.09 116.67 109.76 2bfa s ASP 181 Ca 0.00 0.05 0.37 0.00 -0.52 0.00 0.00 52.55 52.45 2bfa s ASP 181 Cb 0.00 -0.19 1.71 0.00 -1.46 0.00 0.00 42.92 42.98 2bfa s ASP 181 CO 0.00 -0.23 2.11 0.00 0.52 0.00 0.00 175.17 177.57 2bfa h ALA 182 N 8.35 1.00 -0.17 3.66 0.00 -1.14 -3.18 119.26 127.79 2bfa h ALA 182 Ca -0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2bfa h ALA 182 Cb 1.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2bfa h ALA 182 CO 0.19 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 178.11 2bfa n MET 183 N -3.10 1.88 0.30 0.00 2.81 -1.26 -4.57 117.12 113.17 2bfa n MET 183 Ca -0.01 -1.81 0.18 0.00 -1.81 0.00 0.00 57.70 54.25 2bfa n MET 183 Cb 0.23 -1.38 0.90 0.00 -0.71 0.00 0.00 33.22 32.26 2bfa n MET 183 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 2bfa h THR 184 N 3.53 0.18 0.00 2.03 1.35 -1.95 -0.35 112.91 117.70 2bfa h THR 184 Ca 0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 2bfa h THR 184 Cb 0.80 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 2bfa h THR 184 CO 0.00 0.04 0.00 0.59 -0.25 0.00 0.00 175.52 175.90 2bfa n ASN 185 N -3.27 0.11 -3.38 5.36 3.02 -1.26 -3.24 115.26 112.60 2bfa n ASN 185 Ca -0.02 0.52 -0.26 0.00 -0.03 0.00 0.00 54.58 54.79 2bfa n ASN 185 Cb 0.20 -0.54 -0.08 0.00 -0.61 0.00 0.00 39.78 38.74 2bfa n ASN 185 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bfa n GLN 186 N -1.61 2.12 -1.45 3.52 6.02 -0.14 -5.10 117.38 120.74 2bfa n GLN 186 Ca 0.05 -4.35 -0.43 0.00 -0.01 0.00 0.00 57.00 52.26 2bfa n GLN 186 Cb 0.27 -2.03 -0.01 0.00 1.02 0.00 0.00 30.24 29.50 2bfa n GLN 186 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 2bfa n PRO 187 N 0.99 0.54 -2.85 -1.09 -0.02 -1.20 -4.90 135.00 126.46 2bfa n PRO 187 Ca 0.28 0.19 -0.42 0.00 -2.02 0.00 0.00 63.50 61.53 2bfa n PRO 187 Cb 0.44 -1.41 -0.04 0.00 -0.02 0.00 0.00 33.50 32.46 2bfa n PRO 187 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2bfa s LEU 188 N 2.04 4.04 -0.34 2.45 2.96 -1.26 -4.97 118.68 123.60 2bfa s LEU 188 Ca 0.62 0.70 -0.43 0.00 -0.22 0.00 0.00 54.13 54.81 2bfa s LEU 188 Cb -0.69 -3.21 -0.18 0.00 0.50 0.00 0.00 46.19 42.62 2bfa s LEU 188 CO 0.59 -0.73 1.64 -0.11 -1.32 0.00 0.00 176.35 176.42 2bfa n LEU 189 N 6.47 1.77 0.00 -0.68 7.94 -1.26 -1.78 117.00 129.47 2bfa n LEU 189 Ca 0.06 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.09 2bfa n LEU 189 Cb 0.48 -1.03 0.00 0.00 0.53 0.00 0.00 43.42 43.40 2bfa n LEU 189 CO 0.54 -0.69 0.00 0.61 -1.11 0.00 0.00 177.39 176.74 2bfa n GLY 190 N 3.92 0.65 2.42 -3.96 0.00 -1.26 -4.98 105.19 101.98 2bfa n GLY 190 Ca 0.28 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.00 2bfa n GLY 190 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2bfa n TYR 191 N -2.00 3.11 0.11 1.61 4.02 -0.73 0.08 117.16 123.36 2bfa n TYR 191 Ca 0.00 -2.69 -0.12 0.00 -0.01 0.00 0.00 57.90 55.07 2bfa n TYR 191 Cb 0.00 -0.60 -0.06 0.00 -0.02 0.00 0.00 39.34 38.66 2bfa n TYR 191 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 2bfa h THR 192 N 2.10 0.60 -0.12 -0.72 2.02 -1.82 0.01 112.91 114.97 2bfa h THR 192 Ca 0.42 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.62 2bfa h THR 192 Cb 0.89 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 2bfa h THR 192 CO 1.07 0.00 0.01 0.40 0.37 0.00 0.00 175.52 177.37 2bfa h ILE 193 N -0.34 0.93 -0.21 3.11 1.08 -1.90 0.29 117.51 120.48 2bfa h ILE 193 Ca 0.02 -0.02 0.04 0.00 -0.39 0.00 0.00 64.86 64.51 2bfa h ILE 193 Cb 0.36 0.87 -0.04 0.00 -3.07 0.00 0.00 36.82 34.93 2bfa h ILE 193 CO -0.09 0.01 -0.06 0.22 -0.69 0.00 0.00 178.15 177.54 2bfa h TYR 194 N 0.06 -0.13 -0.89 1.37 3.20 -1.83 0.22 116.97 118.97 2bfa h TYR 194 Ca 0.06 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.02 2bfa h TYR 194 Cb 0.06 0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.35 2bfa h TYR 194 CO -0.13 -0.10 0.55 1.15 -1.64 0.00 0.00 178.16 177.99 2bfa h THR 195 N -0.01 1.01 -0.14 1.81 2.02 -0.57 -0.63 112.91 116.40 2bfa h THR 195 Ca 0.10 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 2bfa h THR 195 Cb 0.17 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 2bfa h THR 195 CO -0.22 0.18 0.04 0.24 0.37 0.00 0.00 175.52 176.13 2bfa h MET 196 N 0.97 0.22 -0.95 6.66 2.86 0.28 -1.99 114.93 122.98 2bfa h MET 196 Ca 0.40 -0.05 0.09 0.00 -2.06 0.00 0.00 59.70 58.07 2bfa h MET 196 Cb 0.24 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.80 2bfa h MET 196 CO -0.20 0.37 0.61 0.00 1.06 0.00 0.00 176.91 178.75 2bfa h ALA 197 N 0.85 1.52 -0.49 6.32 0.00 0.10 0.67 119.26 128.23 2bfa h ALA 197 Ca 0.05 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2bfa h ALA 197 Cb 0.24 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2bfa h ALA 197 CO -0.00 0.30 -0.12 0.87 0.00 0.00 0.00 179.25 180.30 2bfa h LYS 198 N 1.02 0.93 -0.75 0.00 6.56 -0.98 -0.25 116.57 123.09 2bfa h LYS 198 Ca 0.43 -0.34 -0.02 0.00 -1.06 0.00 0.00 60.65 59.66 2bfa h LYS 198 Cb 0.31 -0.06 -0.04 0.00 -0.57 0.00 0.00 32.23 31.87 2bfa h LYS 198 CO -0.18 0.99 0.40 0.78 -2.06 0.00 0.00 179.45 179.37 2bfa h GLY 199 N 0.95 1.14 1.20 3.86 0.00 -0.40 -0.79 103.07 109.04 2bfa h GLY 199 Ca 0.13 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 2bfa h GLY 199 CO 0.05 0.51 0.29 0.00 0.00 0.00 0.00 176.54 177.39 2bfa h ALA 200 N 1.20 1.19 -0.32 3.60 0.00 -0.44 -1.43 119.26 123.06 2bfa h ALA 200 Ca 0.26 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2bfa h ALA 200 Cb 0.06 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2bfa h ALA 200 CO -0.04 0.59 -0.08 1.25 0.00 0.00 0.00 179.25 180.97 2bfa h LEU 201 N 1.01 0.51 -0.64 0.00 5.85 -0.31 0.47 115.31 122.20 2bfa h LEU 201 Ca 0.24 -0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 2bfa h LEU 201 Cb 0.18 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 2bfa h LEU 201 CO -0.02 0.64 0.09 -0.33 -0.34 0.00 0.00 178.44 178.48 2bfa h GLU 202 N 0.50 1.08 -0.55 1.25 5.08 -0.36 -1.35 114.58 120.22 2bfa h GLU 202 Ca 0.10 -0.30 -0.06 0.00 -1.00 0.00 0.00 59.36 58.10 2bfa h GLU 202 Cb 0.45 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2bfa h GLU 202 CO 0.02 1.00 0.09 0.78 -1.00 0.00 0.00 179.01 179.91 2bfa h GLY 203 N 0.99 0.98 1.02 -3.84 0.00 -0.60 -2.63 103.07 99.00 2bfa h GLY 203 Ca 0.19 -0.65 0.01 0.00 0.00 0.00 0.00 47.33 46.88 2bfa h GLY 203 CO 0.02 0.60 0.65 -2.00 0.00 0.00 0.00 176.54 175.81 2bfa h LEU 204 N 0.80 1.14 -0.22 3.11 5.85 -0.61 -0.49 115.31 124.90 2bfa h LEU 204 Ca 0.17 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.87 2bfa h LEU 204 Cb 0.40 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2bfa h LEU 204 CO 0.01 0.83 0.09 0.74 -0.34 0.00 0.00 178.44 179.77 2bfa h THR 205 N 1.35 0.96 -0.07 1.05 2.02 -0.91 0.28 112.91 117.59 2bfa h THR 205 Ca 0.36 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.46 2bfa h THR 205 Cb -0.15 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 67.01 2bfa h THR 205 CO -0.08 0.04 -0.03 0.03 0.37 0.00 0.00 175.52 175.85 2bfa h ARG 206 N 0.20 0.15 -0.06 6.66 3.08 -1.11 -1.56 114.38 121.74 2bfa h ARG 206 Ca 0.09 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 2bfa h ARG 206 Cb 0.05 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 2bfa h ARG 206 CO -0.08 0.49 0.03 1.03 -1.07 0.00 0.00 179.97 180.37 2bfa h SER 207 N -0.21 0.08 -0.38 7.04 0.87 -1.03 -2.49 113.55 117.43 2bfa h SER 207 Ca 0.02 -0.10 0.02 0.00 -1.23 0.00 0.00 61.79 60.49 2bfa h SER 207 Cb 0.44 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 2bfa h SER 207 CO 0.01 0.16 0.22 0.00 -0.53 0.00 0.00 176.83 176.69 2bfa h ALA 208 N 0.92 0.47 -0.42 6.23 0.00 -0.47 -1.17 119.26 124.83 2bfa h ALA 208 Ca 0.02 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.00 2bfa h ALA 208 Cb 0.10 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 2bfa h ALA 208 CO -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.13 2bfa h ALA 209 N 1.17 0.38 0.48 0.00 0.00 -1.20 0.14 119.26 120.23 2bfa h ALA 209 Ca 0.15 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2bfa h ALA 209 Cb 0.00 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2bfa h ALA 209 CO -0.07 -0.39 -0.23 1.25 0.00 0.00 0.00 179.25 179.81 2bfa h LEU 210 N 0.11 -0.55 -1.09 0.00 5.85 -1.09 -1.99 115.31 116.54 2bfa h LEU 210 Ca 0.21 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 2bfa h LEU 210 Cb 0.29 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 2bfa h LEU 210 CO -0.34 -0.32 0.14 -0.08 -0.34 0.00 0.00 178.44 177.50 2bfa h GLU 211 N -0.74 0.78 -0.01 1.25 4.81 -1.04 -2.95 114.58 116.68 2bfa h GLU 211 Ca -0.07 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 2bfa h GLU 211 Cb 0.54 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.80 2bfa h GLU 211 CO 0.11 0.70 -0.06 1.28 -0.73 0.00 0.00 179.01 180.31 2bfa n LEU 212 N -4.29 1.30 -0.19 1.64 4.77 0.46 -4.27 117.00 116.42 2bfa n LEU 212 Ca 0.04 -0.41 -0.02 0.00 -0.03 0.00 0.00 56.01 55.59 2bfa n LEU 212 Cb 0.21 -0.03 0.08 0.00 -2.33 0.00 0.00 43.42 41.35 2bfa n LEU 212 CO 0.39 0.22 1.01 0.00 -1.33 0.00 0.00 177.39 177.68 2bfa h ALA 213 N 4.17 0.72 -0.44 -1.18 0.00 -1.17 -1.80 119.26 119.56 2bfa h ALA 213 Ca 0.00 0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.09 2bfa h ALA 213 Cb 0.47 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2bfa h ALA 213 CO 0.00 -0.14 0.32 -1.35 0.00 0.00 0.00 179.25 178.08 2bfa h PRO 214 N 0.46 0.00 -0.39 0.00 0.11 -1.80 0.48 132.00 130.86 2bfa h PRO 214 Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.38 2bfa h PRO 214 Cb 0.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.36 2bfa h PRO 214 CO -0.23 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.84 2bfa n LEU 215 N -4.38 2.21 -2.74 2.35 4.77 -0.71 -4.92 117.00 113.58 2bfa n LEU 215 Ca 0.08 -1.08 -0.20 0.00 -0.03 0.00 0.00 56.01 54.78 2bfa n LEU 215 Cb 0.52 -0.26 0.01 0.00 -2.33 0.00 0.00 43.42 41.36 2bfa n LEU 215 CO 0.36 0.54 -0.13 0.00 -1.33 0.00 0.00 177.39 176.83 2bfa n GLN 216 N 0.70 -3.05 -3.38 3.23 6.02 0.17 -4.95 117.38 116.13 2bfa n GLN 216 Ca 0.15 0.81 -0.43 0.00 -0.01 0.00 0.00 57.00 57.51 2bfa n GLN 216 Cb 0.36 -5.53 -0.09 0.00 1.02 0.00 0.00 30.24 26.00 2bfa n GLN 216 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2bfa s ILE 217 N -2.97 5.16 0.26 5.09 1.01 -0.98 -4.18 121.20 124.59 2bfa s ILE 217 Ca 0.15 -0.52 -0.27 0.00 0.00 0.00 0.00 60.65 60.01 2bfa s ILE 217 Cb -0.07 -4.01 -0.09 0.00 0.01 0.00 0.00 42.46 38.30 2bfa s ILE 217 CO 0.18 -0.39 0.90 -0.13 0.00 0.00 0.00 174.94 175.50 2bfa s ARG 218 N 1.93 4.64 -0.12 2.79 0.52 -0.84 -4.25 118.95 123.62 2bfa s ARG 218 Ca 0.09 1.31 -0.01 0.00 -0.52 0.00 0.00 55.73 56.60 2bfa s ARG 218 Cb -0.18 -3.04 0.04 0.00 0.52 0.00 0.00 34.95 32.29 2bfa s ARG 218 CO 0.12 0.41 -0.01 0.08 0.02 0.00 0.00 175.30 175.92 2bfa s VAL 219 N -1.39 0.61 0.30 3.52 1.01 -1.26 -0.40 120.40 122.78 2bfa s VAL 219 Ca 0.44 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.23 2bfa s VAL 219 Cb -0.22 -0.84 -0.05 0.00 0.00 0.00 0.00 36.38 35.27 2bfa s VAL 219 CO 0.27 0.14 0.09 0.20 0.00 0.00 0.00 175.10 175.80 2bfa s ASN 220 N 1.86 1.73 0.07 3.32 0.01 -0.49 0.67 114.94 122.10 2bfa s ASN 220 Ca 0.03 -1.42 0.08 0.00 -0.71 0.00 0.00 52.86 50.84 2bfa s ASN 220 Cb -0.14 0.12 -0.03 0.00 0.41 0.00 0.00 41.25 41.61 2bfa s ASN 220 CO -0.07 -0.72 -0.22 -0.83 -1.51 0.00 0.00 177.10 173.76 2bfa s GLY 221 N -3.40 1.23 -0.13 0.66 0.00 0.35 -0.30 107.32 105.73 2bfa s GLY 221 Ca 0.36 -1.19 0.01 0.00 0.00 0.00 0.00 44.72 43.90 2bfa s GLY 221 CO 0.15 -1.14 -0.13 0.14 0.00 0.00 0.00 173.10 172.11 2bfa s VAL 222 N -0.96 1.44 -0.35 1.40 1.01 -0.41 -1.21 120.40 121.31 2bfa s VAL 222 Ca 0.08 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.51 2bfa s VAL 222 Cb -0.09 -1.35 0.10 0.00 0.00 0.00 0.00 36.38 35.03 2bfa s VAL 222 CO 0.03 0.43 0.08 -0.83 0.00 0.00 0.00 175.10 174.81 2bfa s GLY 223 N 1.33 1.92 0.90 4.51 0.00 -0.44 -0.03 107.32 115.51 2bfa s GLY 223 Ca 0.00 -2.44 -0.12 0.00 0.00 0.00 0.00 44.72 42.17 2bfa s GLY 223 CO -0.07 0.93 1.09 -4.14 0.00 0.00 0.00 173.10 170.91 2bfa s PRO 224 N 1.01 1.21 0.00 2.90 0.02 -1.26 -0.86 135.00 138.01 2bfa s PRO 224 Ca 0.08 0.79 0.00 0.00 0.02 0.00 0.00 61.00 61.89 2bfa s PRO 224 Cb -0.20 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.51 2bfa s PRO 224 CO -0.06 -2.27 0.00 0.41 -0.33 0.00 0.00 177.00 174.75 2bfa n GLY 225 N -1.14 -0.12 3.02 0.52 0.00 -1.17 -0.95 105.19 105.35 2bfa n GLY 225 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 2bfa n GLY 225 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bfa s LEU 226 N -3.22 3.15 -0.07 0.99 1.43 -1.26 -4.91 118.68 114.79 2bfa s LEU 226 Ca 0.00 -1.33 0.03 0.00 -1.03 0.00 0.00 54.13 51.81 2bfa s LEU 226 Cb 0.00 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 44.80 2bfa s LEU 226 CO 0.00 -0.21 -0.18 -0.44 0.23 0.00 0.00 176.35 175.76 2bfa s SER 227 N 1.20 2.32 -0.90 2.29 0.01 -1.26 0.42 113.70 117.78 2bfa s SER 227 Ca -0.08 -0.40 -0.11 0.00 1.31 0.00 0.00 55.95 56.67 2bfa s SER 227 Cb -0.20 -0.93 0.02 0.00 0.21 0.00 0.00 66.02 65.11 2bfa s SER 227 CO -0.05 0.11 0.59 1.33 0.41 0.00 0.00 173.24 175.63 2bfa n VAL 228 N 3.51 -2.85 -2.29 3.43 0.24 0.48 -4.85 118.33 116.00 2bfa n VAL 228 Ca -0.20 -0.19 -0.43 0.00 -2.04 0.00 0.00 64.34 61.49 2bfa n VAL 228 Cb 0.52 -2.50 -0.02 0.00 -1.47 0.00 0.00 33.84 30.37 2bfa n VAL 228 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2bfa s LEU 229 N -5.65 4.25 0.00 1.34 1.43 -1.26 -5.10 118.68 113.68 2bfa s LEU 229 Ca 0.15 1.90 0.08 0.00 -1.03 0.00 0.00 54.13 55.23 2bfa s LEU 229 Cb -0.09 -3.54 0.47 0.00 0.03 0.00 0.00 46.19 43.06 2bfa s LEU 229 CO 0.87 -0.78 0.89 0.52 0.23 0.00 0.00 176.35 178.08 2bfa n VAL 230 N 5.22 0.00 0.00 -1.59 0.31 -1.26 -5.12 118.33 115.89 2bfa n VAL 230 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 2bfa n VAL 230 Cb 0.44 -0.61 0.00 0.00 -0.91 0.00 0.00 33.84 32.76 2bfa n VAL 230 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2bfa n HIS 241 N -0.81 0.00 0.25 3.52 -0.00 -1.26 -5.28 115.22 111.64 2bfa n HIS 241 Ca 0.06 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.91 2bfa n HIS 241 Cb 0.03 0.00 0.64 0.00 -0.00 0.00 0.00 29.99 30.66 2bfa n HIS 241 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.34 176.41 2bfa h ARG 242 N 0.00 0.00 0.00 -0.41 0.11 -1.94 -2.65 114.38 109.49 2bfa h ARG 242 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2bfa h ARG 242 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2bfa h ARG 242 CO 0.00 0.14 0.00 -1.13 0.10 0.00 0.00 179.97 179.08 2bfa n SER 243 N -3.41 0.13 0.08 0.08 3.41 -1.26 -2.04 113.62 110.60 2bfa n SER 243 Ca -0.01 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.25 2bfa n SER 243 Cb 0.32 -0.56 0.23 0.00 -0.26 0.00 0.00 64.21 63.94 2bfa n SER 243 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2bfa h LYS 244 N 0.00 0.00 -6.26 4.33 1.79 -1.79 -3.45 116.57 111.19 2bfa h LYS 244 Ca 0.00 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.91 2bfa h LYS 244 Cb 0.32 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.94 2bfa h LYS 244 CO 0.00 0.00 1.08 0.08 -1.08 0.00 0.00 179.45 179.53 2bfa s VAL 245 N -3.15 3.75 0.22 0.50 1.01 -1.01 -4.89 120.40 116.82 2bfa s VAL 245 Ca 0.07 0.87 -0.08 0.00 0.00 0.00 0.00 61.98 62.84 2bfa s VAL 245 Cb 0.13 -3.68 0.17 0.00 0.00 0.00 0.00 36.38 33.00 2bfa s VAL 245 CO 0.69 -0.21 1.73 -0.65 0.00 0.00 0.00 175.10 176.66 2bfa h PRO 246 N 10.04 0.36 -5.87 2.72 0.11 -1.82 -2.50 132.00 135.03 2bfa h PRO 246 Ca -0.34 -0.02 -0.61 0.00 0.11 0.00 0.00 66.00 65.14 2bfa h PRO 246 Cb 1.15 -0.08 -0.11 0.00 0.11 0.00 0.00 31.00 32.07 2bfa h PRO 246 CO 0.98 0.23 0.44 -1.17 -0.21 0.00 0.00 178.00 178.27 2bfa s LEU 247 N -10.45 4.10 0.00 2.35 2.96 -0.51 -4.15 118.68 112.98 2bfa s LEU 247 Ca -0.13 0.40 0.00 0.00 -0.22 0.00 0.00 54.13 54.18 2bfa s LEU 247 Cb 0.18 -3.09 0.00 0.00 0.50 0.00 0.00 46.19 43.78 2bfa s LEU 247 CO 0.75 -0.77 0.00 -1.22 -1.32 0.00 0.00 176.35 173.79 2bfa n TYR 248 N 6.52 0.00 -3.67 5.38 4.01 -1.26 -4.03 117.16 124.11 2bfa n TYR 248 Ca 0.04 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.54 2bfa n TYR 248 Cb 0.48 -0.20 0.06 0.00 -0.31 0.00 0.00 39.34 39.37 2bfa n TYR 248 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2bfa n GLN 249 N -1.83 -6.46 -3.58 -0.72 3.00 -0.94 -4.98 117.38 101.86 2bfa n GLN 249 Ca 0.00 0.73 -0.12 0.00 -0.01 0.00 0.00 57.00 57.60 2bfa n GLN 249 Cb 0.00 -5.64 -0.05 0.00 0.00 0.00 0.00 30.24 24.55 2bfa n GLN 249 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.06 176.08 2bfa s ARG 250 N -6.14 1.07 0.92 -1.09 1.70 -0.87 -4.01 118.95 110.53 2bfa s ARG 250 Ca 0.38 -0.46 -0.12 0.00 -0.47 0.00 0.00 55.73 55.06 2bfa s ARG 250 Cb -0.18 0.48 0.14 0.00 -0.57 0.00 0.00 34.95 34.83 2bfa s ARG 250 CO 0.77 -0.41 1.09 0.16 -1.08 0.00 0.00 175.30 175.83 2bfa s ASP 251 N -2.41 3.23 0.55 -2.89 -4.77 -1.26 -4.86 116.67 104.26 2bfa s ASP 251 Ca -0.01 1.47 -0.04 0.00 -3.30 0.00 0.00 52.55 50.68 2bfa s ASP 251 Cb 0.00 -2.15 0.01 0.00 -1.09 0.00 0.00 42.92 39.69 2bfa s ASP 251 CO -0.08 -2.79 0.83 -0.94 0.70 0.00 0.00 175.17 172.90 2bfa s SER 252 N -3.36 5.59 0.58 2.11 1.04 0.17 -4.81 113.70 115.01 2bfa s SER 252 Ca 0.64 0.51 -0.05 0.00 0.48 0.00 0.00 55.95 57.53 2bfa s SER 252 Cb -0.18 -1.55 0.01 0.00 0.10 0.00 0.00 66.02 64.39 2bfa s SER 252 CO 0.57 -1.00 0.88 -0.94 0.98 0.00 0.00 173.24 173.73 2bfa s SER 253 N -4.30 5.61 0.17 7.02 1.04 -1.26 -0.39 113.70 121.60 2bfa s SER 253 Ca 0.53 0.66 -0.14 0.00 0.48 0.00 0.00 55.95 57.48 2bfa s SER 253 Cb -0.10 -1.68 0.07 0.00 0.10 0.00 0.00 66.02 64.41 2bfa s SER 253 CO 0.42 -1.03 1.83 0.00 0.98 0.00 0.00 173.24 175.45 2bfa h ALA 254 N -0.11 0.66 -0.72 5.32 0.00 -1.95 -2.74 119.26 119.72 2bfa h ALA 254 Ca -0.45 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.47 2bfa h ALA 254 Cb 1.26 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 2bfa h ALA 254 CO 0.60 0.09 0.47 0.00 0.00 0.00 0.00 179.25 180.41 2bfa h ALA 255 N 1.20 1.63 0.00 0.00 0.00 -1.94 0.43 119.26 120.57 2bfa h ALA 255 Ca 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2bfa h ALA 255 Cb -0.07 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.50 2bfa h ALA 255 CO -0.05 0.29 0.00 0.93 0.00 0.00 0.00 179.25 180.42 2bfa h GLU 256 N 0.83 0.00 0.00 0.00 5.08 -1.87 -0.66 114.58 117.95 2bfa h GLU 256 Ca 0.29 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.43 2bfa h GLU 256 Cb 0.12 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 2bfa h GLU 256 CO -0.09 0.00 -1.69 0.28 -1.00 0.00 0.00 179.01 176.51 2bfa n VAL 257 N -3.07 1.51 -0.21 3.13 0.31 -0.37 -4.51 118.33 115.12 2bfa n VAL 257 Ca -0.02 -0.10 0.13 0.00 -0.01 0.00 0.00 64.34 64.33 2bfa n VAL 257 Cb 0.13 -2.12 0.43 0.00 -0.91 0.00 0.00 33.84 31.37 2bfa n VAL 257 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2bfa h SER 258 N -1.00 0.54 -0.70 4.52 4.64 -0.87 0.35 113.55 121.03 2bfa h SER 258 Ca -0.34 0.03 0.08 0.00 -0.47 0.00 0.00 61.79 61.08 2bfa h SER 258 Cb 1.27 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 63.23 2bfa h SER 258 CO -0.21 0.28 0.46 0.44 -0.87 0.00 0.00 176.83 176.94 2bfa h ASP 259 N 0.58 0.59 -0.17 4.97 3.32 -1.36 0.64 116.42 124.99 2bfa h ASP 259 Ca 0.40 0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.31 2bfa h ASP 259 Cb 0.72 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 2bfa h ASP 259 CO -0.15 0.37 -0.41 0.58 -1.72 0.00 0.00 179.24 177.91 2bfa h VAL 260 N 0.67 1.29 -0.36 -1.35 2.07 -1.16 -1.02 116.25 116.39 2bfa h VAL 260 Ca 0.31 -1.59 -0.04 0.00 0.82 0.00 0.00 66.70 66.20 2bfa h VAL 260 Cb 0.34 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 2bfa h VAL 260 CO -0.10 0.51 0.07 0.58 0.02 0.00 0.00 177.57 178.65 2bfa h VAL 261 N 0.58 1.23 -0.38 2.57 2.07 -1.00 -1.57 116.25 119.75 2bfa h VAL 261 Ca 0.05 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 2bfa h VAL 261 Cb 0.95 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 2bfa h VAL 261 CO 0.09 0.27 0.23 0.40 0.02 0.00 0.00 177.57 178.58 2bfa h ILE 262 N 0.43 1.13 -0.88 4.57 5.03 -0.80 -2.34 117.51 124.65 2bfa h ILE 262 Ca 0.11 -0.29 0.01 0.00 -0.12 0.00 0.00 64.86 64.57 2bfa h ILE 262 Cb 0.33 0.63 -0.05 0.00 -3.03 0.00 0.00 36.82 34.70 2bfa h ILE 262 CO 0.00 0.13 0.58 0.15 -0.68 0.00 0.00 178.15 178.33 2bfa h PHE 263 N 0.50 1.10 0.00 1.37 3.57 -0.97 -1.45 116.94 121.06 2bfa h PHE 263 Ca 0.14 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 2bfa h PHE 263 Cb 0.00 -0.37 -0.00 0.00 2.79 0.00 0.00 35.95 38.37 2bfa h PHE 263 CO -0.04 0.68 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.62 2bfa h LEU 264 N 1.18 0.00 0.00 0.59 3.38 -0.96 -2.08 115.31 117.42 2bfa h LEU 264 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 2bfa h LEU 264 Cb -0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2bfa h LEU 264 CO -0.08 0.04 -0.65 0.00 0.09 0.00 0.00 178.44 177.84 2bfa s SER 266 N -4.38 5.24 0.53 0.00 1.04 -0.78 -4.92 113.70 110.43 2bfa s SER 266 Ca 0.06 1.83 0.35 0.00 0.48 0.00 0.00 55.95 58.66 2bfa s SER 266 Cb 0.13 -2.53 1.64 0.00 0.10 0.00 0.00 66.02 65.36 2bfa s SER 266 CO 0.73 -1.54 2.04 0.77 0.98 0.00 0.00 173.24 176.22 2bfa h SER 267 N -0.25 0.00 0.71 7.02 4.64 -1.92 -1.59 113.55 122.17 2bfa h SER 267 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2bfa h SER 267 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2bfa h SER 267 CO 0.55 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.80 2bfa n LYS 268 N -2.90 0.15 -0.71 4.77 5.02 -1.26 -2.17 118.16 121.06 2bfa n LYS 268 Ca -0.01 0.38 0.02 0.00 -2.02 0.00 0.00 58.31 56.68 2bfa n LYS 268 Cb 0.20 -1.79 0.27 0.00 -0.02 0.00 0.00 35.03 33.69 2bfa n LYS 268 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bfa n ALA 269 N -1.72 3.78 0.43 7.82 0.00 -0.60 -4.73 120.51 125.49 2bfa n ALA 269 Ca 0.03 -2.48 0.05 0.00 0.00 0.00 0.00 53.44 51.03 2bfa n ALA 269 Cb 0.23 -0.90 0.23 0.00 0.00 0.00 0.00 19.45 19.01 2bfa n ALA 269 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2bfa n LYS 270 N -0.49 0.11 0.00 0.00 2.85 -0.92 -1.69 118.16 118.01 2bfa n LYS 270 Ca 0.30 0.23 0.08 0.00 -1.05 0.00 0.00 58.31 57.87 2bfa n LYS 270 Cb 1.09 -1.50 0.02 0.00 -0.65 0.00 0.00 35.03 33.99 2bfa n LYS 270 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33 2bfa n TYR 271 N -1.33 0.00 -3.30 5.58 9.36 -1.26 -4.94 117.16 121.27 2bfa n TYR 271 Ca 0.04 0.00 -0.39 0.00 3.32 0.00 0.00 57.90 60.87 2bfa n TYR 271 Cb 0.08 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 38.72 2bfa n TYR 271 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 2bfa s ILE 272 N -1.70 5.13 -0.15 2.97 1.01 -0.68 -5.05 121.20 122.73 2bfa s ILE 272 Ca 0.15 0.85 -0.25 0.00 0.00 0.00 0.00 60.65 61.40 2bfa s ILE 272 Cb 0.13 -3.80 0.06 0.00 0.01 0.00 0.00 42.46 38.87 2bfa s ILE 272 CO 0.33 0.19 0.64 0.28 0.00 0.00 0.00 174.94 176.38 2bfa s THR 273 N 1.62 0.00 -0.56 2.92 -1.32 -1.26 -4.68 115.64 112.36 2bfa s THR 273 Ca 0.22 -0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.66 2bfa s THR 273 Cb -0.15 -0.92 0.00 0.00 -1.51 0.00 0.00 72.50 69.92 2bfa s THR 273 CO 0.09 -0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.09 2bfa n GLY 274 N 1.94 0.68 3.54 6.08 0.00 0.21 -4.95 105.19 112.70 2bfa n GLY 274 Ca -0.16 -0.79 -0.25 0.00 0.00 0.00 0.00 46.02 44.81 2bfa n GLY 274 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bfa s THR 275 N -2.21 1.26 0.01 2.61 -4.23 -1.26 -4.73 115.64 107.08 2bfa s THR 275 Ca 0.00 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.59 2bfa s THR 275 Cb 0.00 -2.67 -0.02 0.00 1.34 0.00 0.00 72.50 71.14 2bfa s THR 275 CO 0.00 0.00 -0.26 0.00 -0.54 0.00 0.00 174.62 173.82 2bfa s VAL 277 N -0.68 2.62 0.11 0.00 1.01 -0.35 -4.96 120.40 118.14 2bfa s VAL 277 Ca 0.10 -1.31 -0.30 0.00 0.00 0.00 0.00 61.98 60.47 2bfa s VAL 277 Cb -0.10 -2.43 -0.06 0.00 0.00 0.00 0.00 36.38 33.80 2bfa s VAL 277 CO 0.00 0.07 1.08 -0.54 0.00 0.00 0.00 175.10 175.71 2bfa s LYS 278 N 1.23 4.57 -0.62 2.72 1.02 -1.26 -1.32 119.74 126.07 2bfa s LYS 278 Ca -0.04 1.64 0.06 0.00 0.02 0.00 0.00 55.97 57.65 2bfa s LYS 278 Cb -0.18 -3.34 0.24 0.00 -0.52 0.00 0.00 37.83 34.02 2bfa s LYS 278 CO -0.04 -0.01 0.68 0.28 -0.92 0.00 0.00 175.35 175.35 2bfa n VAL 279 N 3.09 1.88 -0.36 3.17 0.31 -0.04 -4.87 118.33 121.51 2bfa n VAL 279 Ca 0.05 -5.02 0.00 0.00 -0.01 0.00 0.00 64.34 59.36 2bfa n VAL 279 Cb 0.47 -2.09 0.00 0.00 -0.91 0.00 0.00 33.84 31.32 2bfa n VAL 279 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2bfa n ASP 280 N 1.08 1.01 -2.44 4.52 5.75 -1.26 -3.02 116.55 122.20 2bfa n ASP 280 Ca 0.28 -1.37 -0.18 0.00 -0.01 0.00 0.00 54.79 53.50 2bfa n ASP 280 Cb 0.42 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.50 2bfa n ASP 280 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bfa n GLY 281 N -0.18 -0.50 1.66 6.12 0.00 -1.26 -1.66 105.19 109.36 2bfa n GLY 281 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2bfa n GLY 281 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bfa n GLY 282 N -0.97 0.60 0.37 -0.02 0.00 -1.26 -1.42 105.19 102.49 2bfa n GLY 282 Ca -0.21 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.79 2bfa n GLY 282 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2bfa h TYR 283 N 0.00 1.23 0.00 1.61 3.20 -1.66 -1.40 116.97 119.95 2bfa h TYR 283 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2bfa h TYR 283 Cb 0.00 -0.41 0.00 0.00 1.54 0.00 0.00 36.73 37.86 2bfa h TYR 283 CO 0.00 0.75 0.00 -1.13 -1.64 0.00 0.00 178.16 176.14 2bfa n SER 284 N -4.42 0.00 -0.16 -2.11 3.41 -1.26 -1.81 113.62 107.27 2bfa n SER 284 Ca 0.12 -0.47 0.12 0.00 -0.26 0.00 0.00 58.87 58.38 2bfa n SER 284 Cb 0.04 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.19 2bfa n SER 284 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2bfa n LEU 285 N -0.98 0.99 -4.91 1.04 4.77 -0.53 -4.98 117.00 112.41 2bfa n LEU 285 Ca 0.11 -0.29 -0.28 0.00 -0.03 0.00 0.00 56.01 55.53 2bfa n LEU 285 Cb 0.05 -0.13 0.03 0.00 -2.33 0.00 0.00 43.42 41.04 2bfa n LEU 285 CO 0.08 0.21 0.56 0.42 -1.33 0.00 0.00 177.39 177.33 2bfa s THR 286 N -2.75 3.93 0.23 -5.08 -4.23 -0.75 -5.11 115.64 101.88 2bfa s THR 286 Ca 0.16 0.17 0.05 0.00 -1.18 0.00 0.00 61.69 60.89 2bfa s THR 286 Cb 0.18 -3.56 -0.05 0.00 1.34 0.00 0.00 72.50 70.41 2bfa s THR 286 CO 0.65 -0.61 -0.06 -0.13 -0.54 0.00 0.00 174.62 173.93 2bfa s ARG 287 N -5.01 1.36 0.00 3.99 0.52 -1.26 -5.14 118.95 113.41 2bfa s ARG 287 Ca 0.53 -1.66 0.19 0.00 -0.52 0.00 0.00 55.73 54.27 2bfa s ARG 287 Cb -0.11 -0.86 1.12 0.00 0.52 0.00 0.00 34.95 35.63 2bfa s ARG 287 CO 0.47 0.01 1.51 0.00 0.02 0.00 0.00 175.30 177.31