#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bb1 n ARG 9 N 0.00 2.74 -0.77 1.45 1.85 -1.25 -4.94 116.66 115.74 3bb1 n ARG 9 Ca 0.00 0.00 0.09 0.00 -1.00 0.00 0.00 57.85 56.94 3bb1 n ARG 9 Cb 0.00 -0.75 -0.03 0.00 -1.05 0.00 0.00 32.46 30.63 3bb1 n ARG 9 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3bb1 n GLY 10 N 1.70 -1.00 2.56 2.89 0.00 -1.26 -4.63 105.19 105.44 3bb1 n GLY 10 Ca 0.00 -0.53 -0.14 0.00 0.00 0.00 0.00 46.02 45.35 3bb1 n GLY 10 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3bb1 n TRP 11 N -2.53 1.35 0.33 1.61 -0.00 -1.22 -4.71 117.44 112.27 3bb1 n TRP 11 Ca -0.00 -3.07 0.12 0.00 -0.00 0.00 0.00 57.50 54.55 3bb1 n TRP 11 Cb 0.58 -0.35 0.54 0.00 -0.00 0.00 0.00 31.31 32.08 3bb1 n TRP 11 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 3bb1 h SER 12 N 2.95 0.00 0.43 5.87 4.64 -1.88 -1.95 113.55 123.60 3bb1 h SER 12 Ca -0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.24 3bb1 h SER 12 Cb 1.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 3bb1 h SER 12 CO 0.55 0.00 -0.35 1.23 -0.87 0.00 0.00 176.83 177.40 3bb1 h GLY 13 N 1.63 0.00 -0.43 -0.77 0.00 -1.80 0.24 103.07 101.94 3bb1 h GLY 13 Ca 0.00 0.00 0.28 0.00 0.00 0.00 0.00 47.33 47.61 3bb1 h GLY 13 CO 0.00 0.00 0.45 -2.22 0.00 0.00 0.00 176.54 174.77 3bb1 h ILE 14 N 0.00 0.34 -0.03 2.60 2.04 -1.53 0.35 117.51 121.29 3bb1 h ILE 14 Ca -0.00 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.75 3bb1 h ILE 14 Cb 0.65 -0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 3bb1 h ILE 14 CO 0.04 0.06 0.05 0.78 0.00 0.00 0.00 178.15 179.09 3bb1 h ASN 15 N 0.32 0.00 -0.01 1.72 4.21 -0.70 -1.15 115.58 119.98 3bb1 h ASN 15 Ca 0.65 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.16 3bb1 h ASN 15 Cb 1.39 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.59 3bb1 h ASN 15 CO -0.60 0.00 -0.04 0.35 -1.29 0.00 0.00 177.43 175.85 3bb1 n THR 16 N -3.48 0.00 -2.05 2.81 -2.24 0.11 -4.89 114.28 104.54 3bb1 n THR 16 Ca -0.02 -0.35 -0.32 0.00 -2.27 0.00 0.00 64.05 61.09 3bb1 n THR 16 Cb 0.13 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 3bb1 n THR 16 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3bb1 s PHE 17 N -2.05 3.34 0.20 4.78 0.08 -0.44 -5.02 117.98 118.88 3bb1 s PHE 17 Ca 0.32 1.42 -0.30 0.00 0.12 0.00 0.00 56.93 58.49 3bb1 s PHE 17 Cb 0.20 -2.84 -0.16 0.00 -0.57 0.00 0.00 43.02 39.66 3bb1 s PHE 17 CO 0.34 -0.76 0.89 0.00 -0.10 0.00 0.00 175.22 175.59 3bb1 n ALA 18 N -2.23 -1.57 -0.14 5.36 0.00 -1.26 -4.69 120.51 115.97 3bb1 n ALA 18 Ca 0.07 0.45 0.13 0.00 0.00 0.00 0.00 53.44 54.08 3bb1 n ALA 18 Cb 0.54 -1.86 0.47 0.00 0.00 0.00 0.00 19.45 18.60 3bb1 n ALA 18 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3bb1 h PRO 19 N 2.12 0.46 -0.56 0.00 0.13 -1.92 0.52 132.00 132.75 3bb1 h PRO 19 Ca -0.38 -0.03 0.04 0.00 -0.87 0.00 0.00 66.00 64.76 3bb1 h PRO 19 Cb 1.38 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 32.37 3bb1 h PRO 19 CO 0.62 0.31 0.32 0.00 -0.23 0.00 0.00 178.00 179.02 3bb1 h ALA 20 N 1.66 0.73 -0.54 -0.56 0.00 -1.88 -1.20 119.26 117.46 3bb1 h ALA 20 Ca 0.33 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.14 3bb1 h ALA 20 Cb 0.63 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3bb1 h ALA 20 CO -0.11 0.02 -0.04 1.15 0.00 0.00 0.00 179.25 180.27 3bb1 h THR 21 N 0.62 1.27 -0.37 0.00 2.02 -1.72 -3.16 112.91 111.57 3bb1 h THR 21 Ca 0.24 -1.17 0.04 0.00 0.77 0.00 0.00 66.41 66.29 3bb1 h THR 21 Cb 0.08 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 3bb1 h THR 21 CO -0.13 0.42 0.13 1.56 0.37 0.00 0.00 175.52 177.87 3bb1 h GLN 22 N 0.86 0.28 0.01 6.66 4.20 0.07 -1.01 115.11 126.18 3bb1 h GLN 22 Ca 0.15 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.87 3bb1 h GLN 22 Cb 0.59 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.25 3bb1 h GLN 22 CO 0.04 0.19 -0.37 1.15 -0.67 0.00 0.00 178.83 179.16 3bb1 h THR 23 N 0.29 0.22 -0.49 -0.54 2.02 -1.25 0.23 112.91 113.39 3bb1 h THR 23 Ca 0.17 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.34 3bb1 h THR 23 Cb 0.14 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 3bb1 h THR 23 CO -0.16 0.00 0.28 0.11 0.37 0.00 0.00 175.52 176.12 3bb1 h LYS 24 N -0.53 0.68 -0.84 6.66 1.57 -1.49 1.00 116.57 123.61 3bb1 h LYS 24 Ca 0.05 -0.07 0.09 0.00 -1.87 0.00 0.00 60.65 58.86 3bb1 h LYS 24 Cb 0.61 -0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.71 3bb1 h LYS 24 CO -0.29 0.51 0.49 1.25 -0.57 0.00 0.00 179.45 180.84 3bb1 h LEU 25 N 0.65 0.71 0.01 2.94 6.46 -0.71 -0.69 115.31 124.69 3bb1 h LEU 25 Ca 0.17 0.05 -0.23 0.00 -0.12 0.00 0.00 57.88 57.75 3bb1 h LEU 25 Cb 0.02 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 39.84 3bb1 h LEU 25 CO -0.03 0.41 -1.06 -0.07 -0.62 0.00 0.00 178.44 177.06 3bb1 h LEU 26 N 0.82 0.14 -0.73 2.25 3.38 0.82 -1.69 115.31 120.31 3bb1 h LEU 26 Ca 0.40 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 3bb1 h LEU 26 Cb 0.36 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3bb1 h LEU 26 CO -0.24 1.11 0.37 -0.33 0.09 0.00 0.00 178.44 179.44 3bb1 h GLU 27 N 0.03 1.04 -0.34 1.13 4.39 -0.51 -1.22 114.58 119.10 3bb1 h GLU 27 Ca -0.05 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.50 3bb1 h GLU 27 Cb 1.81 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 30.25 3bb1 h GLU 27 CO 0.15 0.79 0.18 -0.07 -1.16 0.00 0.00 179.01 178.90 3bb1 h LEU 28 N 1.02 0.44 -1.77 1.33 3.38 -0.94 0.92 115.31 119.69 3bb1 h LEU 28 Ca 0.25 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.13 3bb1 h LEU 28 Cb 0.08 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3bb1 h LEU 28 CO -0.04 0.42 0.17 -0.07 0.09 0.00 0.00 178.44 179.01 3bb1 h LEU 29 N 0.43 0.27 -0.41 1.67 3.38 -1.07 0.21 115.31 119.79 3bb1 h LEU 29 Ca 0.12 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 3bb1 h LEU 29 Cb 0.09 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3bb1 h LEU 29 CO -0.02 0.19 -0.10 1.23 0.09 0.00 0.00 178.44 179.83 3bb1 h GLY 30 N 0.31 0.86 0.21 0.83 0.00 -0.75 -2.16 103.07 102.37 3bb1 h GLY 30 Ca 0.10 -0.71 0.08 0.00 0.00 0.00 0.00 47.33 46.80 3bb1 h GLY 30 CO -0.02 0.65 -0.06 -0.57 0.00 0.00 0.00 176.54 176.54 3bb1 h ASN 31 N 0.61 -0.30 -0.21 0.19 -0.00 0.11 0.21 115.58 116.20 3bb1 h ASN 31 Ca 0.10 0.12 -0.04 0.00 -0.00 0.00 0.00 56.30 56.48 3bb1 h ASN 31 Cb 0.63 0.23 -0.01 0.00 -0.00 0.00 0.00 38.32 39.17 3bb1 h ASN 31 CO 0.04 -0.10 -0.03 -0.07 -0.00 0.00 0.00 177.43 177.27 3bb1 h LEU 32 N 0.05 0.39 -0.12 0.34 3.38 -1.12 -2.34 115.31 115.89 3bb1 h LEU 32 Ca 0.21 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.87 3bb1 h LEU 32 Cb 0.32 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 3bb1 h LEU 32 CO -0.40 0.65 -0.12 0.11 0.09 0.00 0.00 178.44 178.77 3bb1 h LYS 33 N 0.13 -0.14 -0.78 1.13 1.79 -0.71 0.64 116.57 118.64 3bb1 h LYS 33 Ca 0.06 0.01 0.18 0.00 -2.18 0.00 0.00 60.65 58.72 3bb1 h LYS 33 Cb 0.46 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.10 3bb1 h LYS 33 CO 0.02 -0.09 0.53 1.96 -1.08 0.00 0.00 179.45 180.79 3bb1 h GLN 34 N -0.14 0.26 -0.69 3.15 4.20 -0.69 -0.84 115.11 120.35 3bb1 h GLN 34 Ca 0.08 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3bb1 h GLN 34 Cb 0.26 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.98 3bb1 h GLN 34 CO -0.21 0.17 0.00 0.39 -0.67 0.00 0.00 178.83 178.52 3bb1 n GLU 35 N -4.44 3.19 -2.14 1.46 -0.58 0.14 -4.91 120.64 113.36 3bb1 n GLU 35 Ca 0.16 -1.92 -0.15 0.00 -0.42 0.00 0.00 57.16 54.83 3bb1 n GLU 35 Cb 0.67 -1.86 -0.02 0.00 -0.57 0.00 0.00 31.44 29.65 3bb1 n GLU 35 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3bb1 n ASP 36 N 0.48 -4.56 -4.20 1.62 8.00 -0.32 -4.98 116.55 112.58 3bb1 n ASP 36 Ca 0.17 0.05 -0.41 0.00 0.71 0.00 0.00 54.79 55.31 3bb1 n ASP 36 Cb 0.76 -3.65 -0.06 0.00 -0.02 0.00 0.00 41.12 38.14 3bb1 n ASP 36 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3bb1 s VAL 37 N -2.71 4.56 -2.03 2.53 1.01 -0.74 -4.95 120.40 118.07 3bb1 s VAL 37 Ca 0.00 -2.73 0.30 0.00 0.00 0.00 0.00 61.98 59.55 3bb1 s VAL 37 Cb 0.00 -3.89 0.72 0.00 0.00 0.00 0.00 36.38 33.21 3bb1 s VAL 37 CO 0.00 -0.94 2.03 0.59 0.00 0.00 0.00 175.10 176.78 3bb1 n ASN 38 N 3.71 0.46 -3.55 3.32 3.02 -1.26 -3.89 115.26 117.06 3bb1 n ASN 38 Ca 0.10 -1.00 -0.11 0.00 -0.03 0.00 0.00 54.58 53.54 3bb1 n ASN 38 Cb 0.42 -0.03 -0.05 0.00 -0.61 0.00 0.00 39.78 39.51 3bb1 n ASN 38 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3bb1 s SER 39 N -2.12 -0.40 -0.02 6.41 1.04 -1.26 -1.34 113.70 116.01 3bb1 s SER 39 Ca 0.41 0.35 0.02 0.00 0.48 0.00 0.00 55.95 57.21 3bb1 s SER 39 Cb 0.21 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.69 3bb1 s SER 39 CO 0.38 -0.44 -0.08 -0.76 0.98 0.00 0.00 173.24 173.33 3bb1 s LEU 40 N -1.43 1.78 -0.27 2.42 1.02 -0.48 -4.94 118.68 116.78 3bb1 s LEU 40 Ca -0.01 -0.16 -0.01 0.00 0.02 0.00 0.00 54.13 53.97 3bb1 s LEU 40 Cb -0.01 -0.49 0.05 0.00 0.02 0.00 0.00 46.19 45.76 3bb1 s LEU 40 CO 0.00 0.06 -0.05 -0.89 0.02 0.00 0.00 176.35 175.49 3bb1 s THR 41 N 0.20 2.75 -0.20 5.49 2.01 -1.26 -0.96 115.64 123.67 3bb1 s THR 41 Ca -0.03 -1.34 -0.04 0.00 0.31 0.00 0.00 61.69 60.59 3bb1 s THR 41 Cb -0.08 -2.53 -0.02 0.00 0.01 0.00 0.00 72.50 69.89 3bb1 s THR 41 CO 0.00 0.01 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.27 3bb1 s ILE 42 N 1.24 3.58 -0.30 1.82 1.01 0.56 -0.62 121.20 128.48 3bb1 s ILE 42 Ca -0.04 -0.44 -0.12 0.00 0.00 0.00 0.00 60.65 60.04 3bb1 s ILE 42 Cb -0.19 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 3bb1 s ILE 42 CO -0.03 0.44 0.24 -0.22 0.00 0.00 0.00 174.94 175.37 3bb1 s LEU 43 N 1.15 4.19 -0.22 2.97 2.96 -0.43 -1.18 118.68 128.13 3bb1 s LEU 43 Ca 0.02 -0.10 -0.08 0.00 -0.22 0.00 0.00 54.13 53.75 3bb1 s LEU 43 Cb -0.15 -2.18 -0.04 0.00 0.50 0.00 0.00 46.19 44.32 3bb1 s LEU 43 CO -0.00 -0.14 0.09 0.54 -1.32 0.00 0.00 176.35 175.52 3bb1 s VAL 44 N 1.81 4.81 0.20 1.68 0.11 -0.25 -0.64 120.40 128.12 3bb1 s VAL 44 Ca 0.08 -0.01 0.02 0.00 -2.93 0.00 0.00 61.98 59.14 3bb1 s VAL 44 Cb -0.16 -3.22 -0.05 0.00 -1.53 0.00 0.00 36.38 31.42 3bb1 s VAL 44 CO 0.11 0.39 0.01 -0.04 -3.33 0.00 0.00 175.10 172.24 3bb1 s MET 45 N 0.97 1.20 0.00 1.54 -1.94 -0.07 -3.53 119.30 117.46 3bb1 s MET 45 Ca 0.05 -1.59 0.00 0.00 -1.71 0.00 0.00 55.69 52.44 3bb1 s MET 45 Cb -0.14 -0.34 0.00 0.00 2.01 0.00 0.00 34.83 36.37 3bb1 s MET 45 CO 0.03 -0.14 0.00 0.41 -0.01 0.00 0.00 175.02 175.31 3bb1 n GLY 46 N -0.31 -1.77 3.42 -0.03 0.00 -1.26 -0.01 105.19 105.24 3bb1 n GLY 46 Ca -0.05 -1.21 -0.31 0.00 0.00 0.00 0.00 46.02 44.45 3bb1 n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bb1 s LYS 47 N -1.83 -2.42 0.24 1.61 1.02 -1.26 -1.74 119.74 115.37 3bb1 s LYS 47 Ca 0.00 -0.07 -0.10 0.00 0.02 0.00 0.00 55.97 55.82 3bb1 s LYS 47 Cb 0.00 -1.46 -0.07 0.00 -0.52 0.00 0.00 37.83 35.78 3bb1 s LYS 47 CO 0.00 -4.50 0.57 0.20 -0.92 0.00 0.00 175.35 170.70 3bb1 s GLY 48 N -3.61 2.25 -1.31 -3.33 0.00 -1.26 -4.28 107.32 95.77 3bb1 s GLY 48 Ca 0.70 -0.27 0.00 0.00 0.00 0.00 0.00 44.72 45.15 3bb1 s GLY 48 CO 0.56 -0.13 0.00 0.61 0.00 0.00 0.00 173.10 174.14 3bb1 n GLY 49 N -0.24 -0.21 0.29 0.20 0.00 -1.26 -4.93 105.19 99.05 3bb1 n GLY 49 Ca 0.01 -0.25 0.08 0.00 0.00 0.00 0.00 46.02 45.86 3bb1 n GLY 49 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3bb1 n VAL 50 N -3.97 0.00 0.00 1.61 0.24 -1.26 -5.00 118.33 109.94 3bb1 n VAL 50 Ca -0.18 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 3bb1 n VAL 50 Cb 0.63 1.15 0.00 0.00 -1.47 0.00 0.00 33.84 34.16 3bb1 n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3bb1 n GLY 51 N 1.26 1.64 0.47 7.63 0.00 -1.26 -4.50 105.19 110.44 3bb1 n GLY 51 Ca 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 3bb1 n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bb1 h LYS 52 N 0.00 -0.96 -0.10 1.61 1.57 -1.93 -0.31 116.57 116.45 3bb1 h LYS 52 Ca 0.00 0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3bb1 h LYS 52 Cb 0.00 0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 3bb1 h LYS 52 CO 0.00 -0.64 0.03 0.77 -0.57 0.00 0.00 179.45 179.05 3bb1 h SER 53 N -0.99 0.15 -1.16 0.86 0.02 -1.91 0.29 113.55 110.81 3bb1 h SER 53 Ca -0.07 -0.19 0.33 0.00 -0.84 0.00 0.00 61.79 61.02 3bb1 h SER 53 Cb 0.84 -0.04 -0.08 0.00 0.14 0.00 0.00 62.40 63.27 3bb1 h SER 53 CO -0.01 0.30 0.79 0.28 -1.14 0.00 0.00 176.83 177.05 3bb1 h SER 54 N -0.01 0.23 0.09 3.07 0.02 -1.89 0.16 113.55 115.22 3bb1 h SER 54 Ca 0.03 0.05 -0.21 0.00 -0.84 0.00 0.00 61.79 60.82 3bb1 h SER 54 Cb 0.20 0.02 0.02 0.00 0.14 0.00 0.00 62.40 62.79 3bb1 h SER 54 CO -0.00 0.01 -0.90 0.74 -1.14 0.00 0.00 176.83 175.55 3bb1 h THR 55 N 0.18 1.41 -0.89 -2.27 2.02 0.49 -2.27 112.91 111.58 3bb1 h THR 55 Ca 0.62 -2.37 0.04 0.00 0.77 0.00 0.00 66.41 65.47 3bb1 h THR 55 Cb 2.01 2.85 -0.06 0.00 -1.74 0.00 0.00 68.15 71.22 3bb1 h THR 55 CO -0.19 0.69 0.57 0.58 0.37 0.00 0.00 175.52 177.55 3bb1 h VAL 56 N -0.07 1.12 -0.22 3.16 2.07 0.13 -0.67 116.25 121.77 3bb1 h VAL 56 Ca -0.14 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 3bb1 h VAL 56 Cb 1.64 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3bb1 h VAL 56 CO 0.17 0.20 0.01 0.78 0.02 0.00 0.00 177.57 178.75 3bb1 h ASN 57 N 1.09 0.36 -0.51 0.57 2.35 -0.81 0.83 115.58 119.46 3bb1 h ASN 57 Ca 0.36 -0.29 0.08 0.00 -0.55 0.00 0.00 56.30 55.90 3bb1 h ASN 57 Cb 0.04 -0.10 -0.07 0.00 0.05 0.00 0.00 38.32 38.25 3bb1 h ASN 57 CO -0.13 0.57 0.14 0.28 -1.65 0.00 0.00 177.43 176.64 3bb1 h SER 58 N 0.15 0.09 0.34 5.81 0.02 -1.07 0.57 113.55 119.46 3bb1 h SER 58 Ca 0.06 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 3bb1 h SER 58 Cb 0.38 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.01 3bb1 h SER 58 CO 0.01 0.07 -0.17 0.40 -1.14 0.00 0.00 176.83 176.01 3bb1 h ILE 59 N 0.30 0.67 -0.20 3.27 2.04 -0.87 -3.10 117.51 119.63 3bb1 h ILE 59 Ca 0.25 -0.28 -0.06 0.00 1.00 0.00 0.00 64.86 65.77 3bb1 h ILE 59 Cb 0.32 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3bb1 h ILE 59 CO -0.30 0.06 -0.14 0.40 0.00 0.00 0.00 178.15 178.17 3bb1 h ILE 60 N -0.62 1.20 0.00 -0.67 1.08 -0.65 -3.46 117.51 114.40 3bb1 h ILE 60 Ca -0.05 -0.89 0.00 0.00 -0.39 0.00 0.00 64.86 63.53 3bb1 h ILE 60 Cb 0.45 1.21 0.00 0.00 -3.07 0.00 0.00 36.82 35.41 3bb1 h ILE 60 CO 0.08 0.28 0.00 0.61 -0.69 0.00 0.00 178.15 178.43 3bb1 n GLY 61 N -0.77 0.70 3.34 5.37 0.00 0.20 -3.92 105.19 110.10 3bb1 n GLY 61 Ca -0.00 -0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 3bb1 n GLY 61 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bb1 s GLU 62 N -0.62 1.49 -1.01 1.61 2.02 -1.18 -4.53 118.70 116.47 3bb1 s GLU 62 Ca 0.00 -1.82 -0.13 0.00 0.02 0.00 0.00 54.97 53.04 3bb1 s GLU 62 Cb 0.00 -0.33 0.22 0.00 0.10 0.00 0.00 34.13 34.12 3bb1 s GLU 62 CO 0.00 -0.31 1.06 1.03 0.02 0.00 0.00 175.26 177.06 3bb1 s ARG 63 N -3.97 3.89 -0.03 1.61 0.52 -1.26 -4.40 118.95 115.31 3bb1 s ARG 63 Ca 0.37 -2.63 0.21 0.00 -0.52 0.00 0.00 55.73 53.16 3bb1 s ARG 63 Cb 0.07 -4.66 -0.32 0.00 0.52 0.00 0.00 34.95 30.56 3bb1 s ARG 63 CO 0.14 -1.44 0.50 1.55 0.02 0.00 0.00 175.30 176.08 3bb1 n VAL 64 N 3.90 0.00 -4.20 3.52 3.14 -1.26 -4.94 118.33 118.49 3bb1 n VAL 64 Ca 0.23 -0.44 -0.17 0.00 -2.96 0.00 0.00 64.34 61.00 3bb1 n VAL 64 Cb 0.44 0.11 -0.13 0.00 -1.06 0.00 0.00 33.84 33.20 3bb1 n VAL 64 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 3bb1 s VAL 65 N -3.41 0.77 0.30 1.55 -7.23 -1.26 -5.11 120.40 106.00 3bb1 s VAL 65 Ca -0.06 -0.89 -0.29 0.00 -1.81 0.00 0.00 61.98 58.93 3bb1 s VAL 65 Cb 0.14 -0.74 -0.10 0.00 0.56 0.00 0.00 36.38 36.24 3bb1 s VAL 65 CO 0.87 -0.12 1.17 -0.44 -0.31 0.00 0.00 175.10 176.27 3bb1 s SER 66 N -1.13 7.07 0.33 4.85 0.01 -1.26 -4.92 113.70 118.66 3bb1 s SER 66 Ca -0.03 2.40 0.07 0.00 1.31 0.00 0.00 55.95 59.71 3bb1 s SER 66 Cb -0.08 -2.63 -0.02 0.00 0.21 0.00 0.00 66.02 63.50 3bb1 s SER 66 CO 0.01 -0.29 0.34 0.27 0.41 0.00 0.00 173.24 173.97 3bb1 s ILE 67 N -1.17 3.69 -0.20 1.44 -4.36 -1.26 -4.87 121.20 114.46 3bb1 s ILE 67 Ca 0.47 -1.27 -0.08 0.00 -0.26 0.00 0.00 60.65 59.51 3bb1 s ILE 67 Cb -0.34 -3.25 0.09 0.00 1.25 0.00 0.00 42.46 40.21 3bb1 s ILE 67 CO 0.45 -0.17 0.44 -0.94 0.24 0.00 0.00 174.94 174.96 3bb1 s SER 68 N -4.04 -0.38 0.00 4.36 1.04 -1.26 -5.03 113.70 108.39 3bb1 s SER 68 Ca 0.42 1.03 0.21 0.00 0.48 0.00 0.00 55.95 58.09 3bb1 s SER 68 Cb -0.07 1.32 0.77 0.00 0.10 0.00 0.00 66.02 68.14 3bb1 s SER 68 CO 0.28 -0.22 1.56 -0.81 0.98 0.00 0.00 173.24 175.02 3bb1 n PRO 69 N 5.17 1.72 0.06 4.02 -0.05 -1.26 -4.69 135.00 139.98 3bb1 n PRO 69 Ca -0.12 -1.08 0.00 0.00 -0.05 0.00 0.00 63.50 62.26 3bb1 n PRO 69 Cb 0.51 -1.40 0.00 0.00 -0.05 0.00 0.00 33.50 32.56 3bb1 n PRO 69 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 3bb1 n PHE 70 N 0.30 -0.77 0.00 0.54 3.72 -1.26 -5.12 117.46 114.86 3bb1 n PHE 70 Ca 0.16 0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.70 3bb1 n PHE 70 Cb 0.33 0.24 0.00 0.00 -0.94 0.00 0.00 39.48 39.11 3bb1 n PHE 70 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3bb1 n GLN 71 N -3.28 0.00 0.00 -1.08 10.64 -1.26 -5.15 117.38 117.24 3bb1 n GLN 71 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 3bb1 n GLN 71 Cb 0.09 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.47 3bb1 n GLN 71 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 3bb1 n SER 72 N 0.00 0.00 -0.11 2.61 7.64 -1.26 -4.95 113.62 117.55 3bb1 n SER 72 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 3bb1 n SER 72 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 3bb1 n SER 72 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3bb1 h GLU 73 N 0.00 -0.03 0.00 1.43 4.39 -2.00 -3.44 114.58 114.93 3bb1 h GLU 73 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3bb1 h GLU 73 Cb 0.00 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 3bb1 h GLU 73 CO 0.00 -0.02 0.00 0.41 -1.16 0.00 0.00 179.01 178.24 3bb1 n GLY 74 N -1.09 0.00 0.22 -3.84 0.00 -1.26 -4.88 105.19 94.34 3bb1 n GLY 74 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 3bb1 n GLY 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bb1 h PRO 75 N 0.00 0.12 -4.28 1.61 0.13 -2.00 -3.50 132.00 124.08 3bb1 h PRO 75 Ca 0.00 -0.01 -0.63 0.00 -0.87 0.00 0.00 66.00 64.50 3bb1 h PRO 75 Cb 0.00 -0.03 0.01 0.00 0.13 0.00 0.00 31.00 31.11 3bb1 h PRO 75 CO 0.00 0.08 0.51 0.54 -0.23 0.00 0.00 178.00 178.90 3bb1 n ARG 76 N -5.26 0.00 -1.67 0.86 1.74 -1.26 -3.68 116.66 107.39 3bb1 n ARG 76 Ca 0.08 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.80 3bb1 n ARG 76 Cb 0.32 -1.07 0.07 0.00 -1.02 0.00 0.00 32.46 30.76 3bb1 n ARG 76 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3bb1 s PRO 77 N 2.22 2.46 -0.02 5.56 0.04 -1.26 -4.82 135.00 139.18 3bb1 s PRO 77 Ca 0.75 1.87 0.03 0.00 0.04 0.00 0.00 61.00 63.69 3bb1 s PRO 77 Cb -1.07 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 31.61 3bb1 s PRO 77 CO 0.58 -1.61 -0.10 0.08 0.04 0.00 0.00 177.00 175.99 3bb1 s VAL 78 N -1.71 0.81 -0.37 -0.36 1.01 -0.57 -4.98 120.40 114.24 3bb1 s VAL 78 Ca 0.78 -0.39 -0.09 0.00 0.00 0.00 0.00 61.98 62.28 3bb1 s VAL 78 Cb -0.32 -0.71 0.04 0.00 0.00 0.00 0.00 36.38 35.38 3bb1 s VAL 78 CO 0.41 0.25 0.17 -0.32 0.00 0.00 0.00 175.10 175.61 3bb1 s MET 79 N 0.10 2.72 -0.29 2.72 1.75 -1.26 -0.25 119.30 124.79 3bb1 s MET 79 Ca -0.02 -1.15 -0.17 0.00 -1.25 0.00 0.00 55.69 53.11 3bb1 s MET 79 Cb -0.08 -3.64 -0.02 0.00 2.84 0.00 0.00 34.83 33.93 3bb1 s MET 79 CO 0.00 -0.71 0.45 0.08 -0.65 0.00 0.00 175.02 174.19 3bb1 s VAL 80 N 1.49 5.10 -0.14 10.11 1.01 -0.20 -4.94 120.40 132.83 3bb1 s VAL 80 Ca 0.01 0.58 -0.01 0.00 0.00 0.00 0.00 61.98 62.55 3bb1 s VAL 80 Cb -0.20 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 3bb1 s VAL 80 CO 0.05 0.03 -0.11 -0.44 0.00 0.00 0.00 175.10 174.62 3bb1 s SER 81 N 1.65 4.15 0.06 3.32 0.01 -1.26 -1.17 113.70 120.45 3bb1 s SER 81 Ca 0.18 -0.29 0.01 0.00 1.31 0.00 0.00 55.95 57.15 3bb1 s SER 81 Cb -0.16 -1.64 -0.03 0.00 0.21 0.00 0.00 66.02 64.40 3bb1 s SER 81 CO 0.11 0.16 -0.06 -0.13 0.41 0.00 0.00 173.24 173.73 3bb1 s ARG 82 N 0.36 0.63 0.01 12.44 1.81 -0.17 -3.86 118.95 130.16 3bb1 s ARG 82 Ca -0.10 -1.01 -0.04 0.00 -1.72 0.00 0.00 55.73 52.86 3bb1 s ARG 82 Cb -0.16 -0.15 -0.01 0.00 -0.45 0.00 0.00 34.95 34.18 3bb1 s ARG 82 CO 0.05 -0.01 0.07 -1.54 -0.68 0.00 0.00 175.30 173.19 3bb1 s SER 83 N -2.27 0.11 -0.30 0.23 1.04 -1.26 0.07 113.70 111.32 3bb1 s SER 83 Ca -0.01 -0.31 -0.12 0.00 0.48 0.00 0.00 55.95 55.99 3bb1 s SER 83 Cb -0.02 0.16 0.15 0.00 0.10 0.00 0.00 66.02 66.41 3bb1 s SER 83 CO -0.03 -0.33 0.82 -0.60 0.98 0.00 0.00 173.24 174.09 3bb1 s ARG 84 N -1.35 0.43 -0.89 4.02 6.06 0.74 -3.41 118.95 124.55 3bb1 s ARG 84 Ca -0.15 1.07 -0.04 0.00 -2.50 0.00 0.00 55.73 54.11 3bb1 s ARG 84 Cb -0.08 0.65 0.00 0.00 0.06 0.00 0.00 34.95 35.58 3bb1 s ARG 84 CO 0.00 -0.16 0.58 0.00 -2.50 0.00 0.00 175.30 173.22 3bb1 n ALA 85 N 5.21 -0.72 0.00 6.12 0.00 -1.26 -1.91 120.51 127.96 3bb1 n ALA 85 Ca -0.10 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3bb1 n ALA 85 Cb 0.51 -3.17 0.00 0.00 0.00 0.00 0.00 19.45 16.79 3bb1 n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bb1 n GLY 86 N -1.34 2.30 3.87 0.00 0.00 -1.26 -4.94 105.19 103.81 3bb1 n GLY 86 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 3bb1 n GLY 86 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3bb1 s PHE 87 N -2.27 3.63 -0.14 1.61 5.36 -0.80 -4.85 117.98 120.52 3bb1 s PHE 87 Ca 0.00 0.66 0.02 0.00 -0.96 0.00 0.00 56.93 56.65 3bb1 s PHE 87 Cb 0.00 -2.04 0.00 0.00 -0.34 0.00 0.00 43.02 40.64 3bb1 s PHE 87 CO 0.00 0.68 -0.20 0.99 -1.46 0.00 0.00 175.22 175.23 3bb1 s THR 88 N -1.12 2.27 -0.22 0.12 2.01 -0.45 -0.18 115.64 118.07 3bb1 s THR 88 Ca 0.21 -0.92 -0.10 0.00 0.31 0.00 0.00 61.69 61.19 3bb1 s THR 88 Cb -0.14 -1.92 -0.05 0.00 0.01 0.00 0.00 72.50 70.41 3bb1 s THR 88 CO 0.10 0.54 0.15 -0.22 -0.69 0.00 0.00 174.62 174.49 3bb1 s LEU 89 N 0.69 4.13 -0.24 4.42 2.96 0.11 -1.38 118.68 129.37 3bb1 s LEU 89 Ca -0.09 0.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.98 3bb1 s LEU 89 Cb -0.16 -2.09 0.04 0.00 0.50 0.00 0.00 46.19 44.48 3bb1 s LEU 89 CO 0.01 0.11 -0.12 0.20 -1.32 0.00 0.00 176.35 175.23 3bb1 s ASN 90 N 0.80 4.10 -0.10 3.68 0.01 -0.13 -1.00 114.94 122.30 3bb1 s ASN 90 Ca 0.07 -1.10 0.04 0.00 -0.71 0.00 0.00 52.86 51.16 3bb1 s ASN 90 Cb -0.13 -1.56 -0.00 0.00 0.41 0.00 0.00 41.25 39.97 3bb1 s ASN 90 CO 0.02 -0.13 -0.24 -0.51 -1.51 0.00 0.00 177.10 174.73 3bb1 s ILE 91 N 1.20 2.09 -0.26 0.60 2.07 -0.32 -0.33 121.20 126.26 3bb1 s ILE 91 Ca -0.03 -1.01 -0.00 0.00 -1.41 0.00 0.00 60.65 58.19 3bb1 s ILE 91 Cb -0.18 -1.79 0.04 0.00 0.13 0.00 0.00 42.46 40.66 3bb1 s ILE 91 CO -0.07 0.56 -0.07 -0.63 -1.91 0.00 0.00 174.94 172.83 3bb1 s ILE 92 N 0.29 2.69 0.14 2.00 1.01 -0.32 -1.04 121.20 125.97 3bb1 s ILE 92 Ca -0.17 -1.25 -0.19 0.00 0.00 0.00 0.00 60.65 59.04 3bb1 s ILE 92 Cb -0.18 -2.44 -0.07 0.00 0.01 0.00 0.00 42.46 39.78 3bb1 s ILE 92 CO 0.08 0.09 0.62 -0.62 0.00 0.00 0.00 174.94 175.11 3bb1 s ASP 93 N 1.25 7.03 0.11 3.58 2.15 0.65 -1.09 116.67 130.35 3bb1 s ASP 93 Ca -0.03 1.28 0.05 0.00 0.43 0.00 0.00 52.55 54.28 3bb1 s ASP 93 Cb -0.18 -2.37 -0.04 0.00 -0.30 0.00 0.00 42.92 40.04 3bb1 s ASP 93 CO -0.04 0.16 -0.12 0.42 -0.17 0.00 0.00 175.17 175.42 3bb1 s THR 94 N -1.31 1.10 0.50 1.71 -4.23 -1.23 -1.51 115.64 110.68 3bb1 s THR 94 Ca 0.35 -1.66 -0.22 0.00 -1.18 0.00 0.00 61.69 58.98 3bb1 s THR 94 Cb -0.18 -1.42 -0.06 0.00 1.34 0.00 0.00 72.50 72.18 3bb1 s THR 94 CO 0.20 -0.49 1.22 -2.16 -0.54 0.00 0.00 174.62 172.85 3bb1 s PRO 95 N -2.72 3.47 0.36 3.99 0.04 -1.24 -4.90 135.00 133.99 3bb1 s PRO 95 Ca 0.07 1.90 -0.27 0.00 0.04 0.00 0.00 61.00 62.74 3bb1 s PRO 95 Cb -0.04 -2.29 -0.12 0.00 0.04 0.00 0.00 34.50 32.10 3bb1 s PRO 95 CO 0.01 -0.83 1.25 0.41 0.04 0.00 0.00 177.00 177.89 3bb1 n GLY 96 N 0.52 0.47 0.18 0.56 0.00 -1.26 -4.77 105.19 100.90 3bb1 n GLY 96 Ca 0.09 0.28 0.14 0.00 0.00 0.00 0.00 46.02 46.53 3bb1 n GLY 96 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3bb1 h LEU 97 N 2.35 0.00 -9.28 0.99 3.38 -1.60 -3.46 115.31 107.70 3bb1 h LEU 97 Ca -0.46 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 56.84 3bb1 h LEU 97 Cb 1.29 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.89 3bb1 h LEU 97 CO 0.61 0.00 -0.65 -0.63 0.09 0.00 0.00 178.44 177.87 3bb1 s ILE 98 N -3.32 4.11 -0.04 1.22 1.09 -1.26 -0.43 121.20 122.57 3bb1 s ILE 98 Ca 0.06 -0.45 -0.01 0.00 -1.10 0.00 0.00 60.65 59.15 3bb1 s ILE 98 Cb 0.09 -2.77 0.03 0.00 -1.06 0.00 0.00 42.46 38.75 3bb1 s ILE 98 CO 0.56 0.51 0.03 -0.70 -0.10 0.00 0.00 174.94 175.24 3bb1 s GLU 99 N -1.16 0.14 7.00 2.79 2.56 -0.19 -4.61 118.70 125.23 3bb1 s GLU 99 Ca 0.16 0.23 0.00 0.00 0.00 0.00 0.00 54.97 55.36 3bb1 s GLU 99 Cb -0.11 -0.56 0.00 0.00 2.00 0.00 0.00 34.13 35.46 3bb1 s GLU 99 CO 0.05 -0.26 0.00 0.41 -0.56 0.00 0.00 175.26 174.90 3bb1 n GLY 100 N 4.86 4.02 0.31 -1.50 0.00 -1.26 -1.69 105.19 109.94 3bb1 n GLY 100 Ca -0.12 0.14 0.04 0.00 0.00 0.00 0.00 46.02 46.07 3bb1 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bb1 n GLY 101 N 0.00 3.24 3.46 -0.02 0.00 -1.26 -4.99 105.19 105.62 3bb1 n GLY 101 Ca 0.00 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.41 3bb1 n GLY 101 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bb1 s TYR 102 N -1.39 2.32 0.21 1.61 2.02 -0.68 -4.96 117.35 116.48 3bb1 s TYR 102 Ca 0.16 -0.33 -0.32 0.00 -0.37 0.00 0.00 57.07 56.20 3bb1 s TYR 102 Cb 0.11 -1.07 -0.12 0.00 -0.40 0.00 0.00 41.96 40.48 3bb1 s TYR 102 CO 0.07 0.62 1.69 1.51 -1.57 0.00 0.00 175.55 177.87 3bb1 n ILE 103 N -0.26 0.10 -2.75 2.71 0.13 -1.26 -1.02 119.36 117.01 3bb1 n ILE 103 Ca -0.08 -0.03 -0.42 0.00 -1.10 0.00 0.00 62.75 61.12 3bb1 n ILE 103 Cb 0.58 -1.93 -0.03 0.00 -0.84 0.00 0.00 39.64 37.42 3bb1 n ILE 103 CO 0.00 0.00 0.00 0.21 2.80 0.00 0.00 176.55 179.56 3bb1 s ASN 104 N 1.07 6.28 0.36 9.51 3.84 0.42 -4.76 114.94 131.67 3bb1 s ASN 104 Ca 0.74 -1.07 0.09 0.00 0.21 0.00 0.00 52.86 52.83 3bb1 s ASN 104 Cb -0.52 -2.47 0.68 0.00 -0.55 0.00 0.00 41.25 38.39 3bb1 s ASN 104 CO 0.34 -1.50 1.85 0.44 -2.79 0.00 0.00 177.10 175.45 3bb1 h ASP 105 N 9.61 0.23 -0.34 -4.21 3.32 -1.92 -1.59 116.42 121.51 3bb1 h ASP 105 Ca -0.16 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 3bb1 h ASP 105 Cb 1.05 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 3bb1 h ASP 105 CO 1.23 0.46 0.16 -0.03 -1.72 0.00 0.00 179.24 179.34 3bb1 h MET 106 N 0.22 0.48 -0.67 3.56 4.05 -1.98 0.21 114.93 120.80 3bb1 h MET 106 Ca 0.04 -0.07 -0.07 0.00 -0.28 0.00 0.00 59.70 59.31 3bb1 h MET 106 Cb 0.51 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.19 3bb1 h MET 106 CO 0.03 0.44 0.13 0.00 0.23 0.00 0.00 176.91 177.75 3bb1 h ALA 107 N 1.02 0.89 -0.52 0.39 0.00 -1.87 -2.03 119.26 117.13 3bb1 h ALA 107 Ca 0.12 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 3bb1 h ALA 107 Cb 0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3bb1 h ALA 107 CO -0.01 0.64 -0.11 1.25 0.00 0.00 0.00 179.25 181.01 3bb1 h LEU 108 N 1.02 0.98 -0.28 0.00 5.85 -0.85 -2.39 115.31 119.65 3bb1 h LEU 108 Ca 0.21 -0.32 -0.20 0.00 0.84 0.00 0.00 57.88 58.40 3bb1 h LEU 108 Cb 0.41 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3bb1 h LEU 108 CO 0.01 1.10 -0.87 0.78 -0.34 0.00 0.00 178.44 179.11 3bb1 h ASN 109 N 0.87 0.34 -0.35 1.25 2.35 -0.51 -1.46 115.58 118.07 3bb1 h ASN 109 Ca 0.14 -0.27 0.02 0.00 -0.55 0.00 0.00 56.30 55.64 3bb1 h ASN 109 Cb 0.67 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.91 3bb1 h ASN 109 CO 0.05 1.06 0.19 0.40 -1.65 0.00 0.00 177.43 177.48 3bb1 h ILE 110 N 0.15 1.02 -0.66 2.81 2.04 -1.33 0.02 117.51 121.56 3bb1 h ILE 110 Ca -0.05 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3bb1 h ILE 110 Cb 1.49 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 3bb1 h ILE 110 CO 0.14 0.07 0.42 0.40 0.00 0.00 0.00 178.15 179.19 3bb1 h ILE 111 N 0.40 1.18 0.39 -0.67 2.04 -1.27 0.11 117.51 119.69 3bb1 h ILE 111 Ca 0.14 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 3bb1 h ILE 111 Cb 0.02 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.33 3bb1 h ILE 111 CO -0.07 0.18 -0.19 0.11 0.00 0.00 0.00 178.15 178.17 3bb1 h LYS 112 N 0.90 -0.51 -0.51 2.37 1.57 -0.95 -1.56 116.57 117.88 3bb1 h LYS 112 Ca 0.24 0.03 0.09 0.00 -1.87 0.00 0.00 60.65 59.14 3bb1 h LYS 112 Cb -0.08 0.12 -0.10 0.00 0.08 0.00 0.00 32.23 32.25 3bb1 h LYS 112 CO -0.05 -0.29 -0.38 0.77 -0.57 0.00 0.00 179.45 178.94 3bb1 h SER 113 N -0.62 -1.28 -0.17 0.86 0.02 -0.88 -1.81 113.55 109.67 3bb1 h SER 113 Ca -0.05 0.22 0.05 0.00 -0.84 0.00 0.00 61.79 61.17 3bb1 h SER 113 Cb 0.46 0.60 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 3bb1 h SER 113 CO 0.09 -0.33 0.14 0.15 -1.14 0.00 0.00 176.83 175.74 3bb1 h PHE 114 N -0.23 0.00 -0.33 3.45 3.04 -0.56 -1.56 116.94 120.75 3bb1 h PHE 114 Ca 0.19 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.14 3bb1 h PHE 114 Cb 0.56 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.07 3bb1 h PHE 114 CO -0.63 0.00 0.00 1.28 -2.02 0.00 0.00 178.31 176.94 3bb1 n LEU 115 N -4.23 3.30 -4.67 0.59 4.77 -0.60 -4.92 117.00 111.24 3bb1 n LEU 115 Ca 0.01 -1.67 -0.43 0.00 -0.03 0.00 0.00 56.01 53.89 3bb1 n LEU 115 Cb 0.27 -0.54 -0.02 0.00 -2.33 0.00 0.00 43.42 40.80 3bb1 n LEU 115 CO 0.32 0.47 0.98 -0.22 -1.33 0.00 0.00 177.39 177.62 3bb1 s LEU 116 N -1.40 4.19 0.00 2.23 2.96 -0.59 -2.43 118.68 123.64 3bb1 s LEU 116 Ca 0.29 1.62 0.00 0.00 -0.22 0.00 0.00 54.13 55.82 3bb1 s LEU 116 Cb 0.21 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.36 3bb1 s LEU 116 CO 0.11 -0.67 0.00 0.47 -1.32 0.00 0.00 176.35 174.94 3bb1 n ASP 117 N 6.08 -1.38 -4.93 3.68 8.00 0.62 -5.01 116.55 123.61 3bb1 n ASP 117 Ca 0.12 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.36 3bb1 n ASP 117 Cb 0.46 -0.24 0.03 0.00 -0.02 0.00 0.00 41.12 41.35 3bb1 n ASP 117 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3bb1 s LYS 118 N -0.00 2.94 -0.22 -1.24 1.02 -1.02 -4.77 119.74 116.45 3bb1 s LYS 118 Ca 0.00 -0.12 0.01 0.00 0.02 0.00 0.00 55.97 55.88 3bb1 s LYS 118 Cb 0.00 -2.33 0.03 0.00 -0.52 0.00 0.00 37.83 35.01 3bb1 s LYS 118 CO 0.00 -0.61 -0.15 0.99 -0.92 0.00 0.00 175.35 174.66 3bb1 s THR 119 N -2.90 2.23 -0.18 2.17 2.01 -1.26 -0.81 115.64 116.91 3bb1 s THR 119 Ca 0.53 -1.19 -0.29 0.00 0.31 0.00 0.00 61.69 61.05 3bb1 s THR 119 Cb -0.10 -2.10 -0.01 0.00 0.01 0.00 0.00 72.50 70.30 3bb1 s THR 119 CO 0.44 0.29 1.16 -0.63 -0.69 0.00 0.00 174.62 175.18 3bb1 s ILE 120 N 1.23 4.46 -0.19 1.82 1.01 0.93 -4.53 121.20 125.94 3bb1 s ILE 120 Ca -0.01 1.76 0.13 0.00 0.00 0.00 0.00 60.65 62.54 3bb1 s ILE 120 Cb -0.16 -4.14 -0.23 0.00 0.01 0.00 0.00 42.46 37.94 3bb1 s ILE 120 CO -0.09 -0.14 0.11 0.47 0.00 0.00 0.00 174.94 175.29 3bb1 n ASP 121 N 6.32 0.58 -3.81 3.58 8.00 0.21 -0.39 116.55 131.04 3bb1 n ASP 121 Ca 0.13 0.04 -0.14 0.00 0.71 0.00 0.00 54.79 55.53 3bb1 n ASP 121 Cb 0.46 0.51 -0.15 0.00 -0.02 0.00 0.00 41.12 41.92 3bb1 n ASP 121 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3bb1 s VAL 122 N -2.51 -0.04 -0.24 2.53 1.01 -1.11 -4.70 120.40 115.34 3bb1 s VAL 122 Ca -0.14 0.13 -0.09 0.00 0.00 0.00 0.00 61.98 61.88 3bb1 s VAL 122 Cb 0.07 -0.06 -0.04 0.00 0.00 0.00 0.00 36.38 36.35 3bb1 s VAL 122 CO 0.78 0.05 0.11 -0.22 0.00 0.00 0.00 175.10 175.83 3bb1 s LEU 123 N 0.65 3.76 -0.44 3.92 2.96 0.15 -1.31 118.68 128.37 3bb1 s LEU 123 Ca -0.05 -0.05 -0.10 0.00 -0.22 0.00 0.00 54.13 53.71 3bb1 s LEU 123 Cb -0.08 -2.01 0.09 0.00 0.50 0.00 0.00 46.19 44.70 3bb1 s LEU 123 CO -0.02 0.02 0.31 -0.22 -1.32 0.00 0.00 176.35 175.12 3bb1 s LEU 124 N 1.28 5.40 -0.29 -0.68 2.96 0.19 0.49 118.68 128.03 3bb1 s LEU 124 Ca 0.06 -1.63 -0.19 0.00 -0.22 0.00 0.00 54.13 52.15 3bb1 s LEU 124 Cb -0.14 -2.02 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 3bb1 s LEU 124 CO 0.05 -0.61 0.59 -0.47 -1.32 0.00 0.00 176.35 174.59 3bb1 s TYR 125 N 1.43 3.24 -0.18 5.38 5.04 0.41 -0.89 117.35 131.78 3bb1 s TYR 125 Ca 0.04 0.61 -0.11 0.00 -2.44 0.00 0.00 57.07 55.17 3bb1 s TYR 125 Cb -0.24 -2.89 -0.05 0.00 0.35 0.00 0.00 41.96 39.13 3bb1 s TYR 125 CO 0.02 -0.40 0.18 0.08 -1.34 0.00 0.00 175.55 174.09 3bb1 s VAL 126 N 2.50 5.38 0.00 3.14 1.01 0.99 -0.61 120.40 132.80 3bb1 s VAL 126 Ca 0.24 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.52 3bb1 s VAL 126 Cb -0.15 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.71 3bb1 s VAL 126 CO 0.11 0.43 0.00 -0.67 0.00 0.00 0.00 175.10 174.97 3bb1 n ASP 127 N 3.47 0.61 -4.20 3.32 -0.08 -0.90 -4.14 116.55 114.64 3bb1 n ASP 127 Ca -0.15 -0.51 -0.28 0.00 -1.51 0.00 0.00 54.79 52.34 3bb1 n ASP 127 Cb 0.52 0.00 -0.16 0.00 2.34 0.00 0.00 41.12 43.82 3bb1 n ASP 127 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 3bb1 s ARG 128 N -0.52 2.05 0.20 -0.67 3.52 -1.26 -1.39 118.95 120.89 3bb1 s ARG 128 Ca 0.00 -0.74 -0.10 0.00 -0.13 0.00 0.00 55.73 54.76 3bb1 s ARG 128 Cb 0.00 -1.79 0.25 0.00 -1.56 0.00 0.00 34.95 31.85 3bb1 s ARG 128 CO 0.00 0.33 1.78 1.25 -0.81 0.00 0.00 175.30 177.84 3bb1 h LEU 129 N 6.08 0.38 -5.52 -0.88 5.85 -0.93 -3.26 115.31 117.03 3bb1 h LEU 129 Ca -0.33 0.05 -0.72 0.00 0.84 0.00 0.00 57.88 57.72 3bb1 h LEU 129 Cb 1.17 -0.01 -0.20 0.00 0.37 0.00 0.00 40.66 41.98 3bb1 h LEU 129 CO 0.47 0.24 1.39 -0.90 -0.34 0.00 0.00 178.44 179.31 3bb1 n ASP 130 N -4.90 7.46 -4.51 1.25 5.75 -1.26 -4.84 116.55 115.50 3bb1 n ASP 130 Ca 0.08 -3.43 -0.30 0.00 -0.01 0.00 0.00 54.79 51.13 3bb1 n ASP 130 Cb 0.22 -1.23 -0.11 0.00 -1.03 0.00 0.00 41.12 38.97 3bb1 n ASP 130 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3bb1 s ALA 131 N -2.71 2.75 -0.69 2.12 0.00 -1.23 -5.05 121.76 116.95 3bb1 s ALA 131 Ca 0.50 -1.30 0.09 0.00 0.00 0.00 0.00 51.96 51.25 3bb1 s ALA 131 Cb 0.26 -0.73 -0.05 0.00 0.00 0.00 0.00 23.12 22.60 3bb1 s ALA 131 CO -0.18 0.61 0.52 0.66 0.00 0.00 0.00 175.76 177.36 3bb1 n TYR 132 N 0.86 0.00 -4.17 0.00 4.01 -1.26 -5.02 117.16 111.58 3bb1 n TYR 132 Ca -0.15 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.42 3bb1 n TYR 132 Cb 0.52 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.43 3bb1 n TYR 132 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3bb1 s ARG 133 N -1.57 0.72 0.05 -0.72 1.81 -1.26 -5.15 118.95 112.83 3bb1 s ARG 133 Ca 0.06 -0.81 0.02 0.00 -1.72 0.00 0.00 55.73 53.27 3bb1 s ARG 133 Cb 0.07 -0.65 -0.03 0.00 -0.45 0.00 0.00 34.95 33.89 3bb1 s ARG 133 CO 0.30 0.15 -0.07 0.14 -0.68 0.00 0.00 175.30 175.14 3bb1 s VAL 134 N -1.17 0.52 0.00 3.52 -7.23 -1.26 -5.07 120.40 109.71 3bb1 s VAL 134 Ca -0.04 -1.29 0.00 0.00 -1.81 0.00 0.00 61.98 58.85 3bb1 s VAL 134 Cb -0.09 -0.85 0.00 0.00 0.56 0.00 0.00 36.38 35.99 3bb1 s VAL 134 CO 0.01 -0.53 0.00 -0.90 -0.31 0.00 0.00 175.10 173.37 3bb1 n ASP 135 N 1.08 0.00 -0.35 4.85 5.75 -1.26 -5.02 116.55 121.60 3bb1 n ASP 135 Ca -0.20 -0.83 0.37 0.00 -0.01 0.00 0.00 54.79 54.12 3bb1 n ASP 135 Cb 0.56 0.00 0.75 0.00 -1.03 0.00 0.00 41.12 41.40 3bb1 n ASP 135 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3bb1 h ASN 136 N 0.00 0.00 -0.49 -1.12 -1.07 -1.99 -1.25 115.58 109.65 3bb1 h ASN 136 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.35 3bb1 h ASN 136 Cb 0.00 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.23 3bb1 h ASN 136 CO 0.00 0.00 0.24 0.25 0.07 0.00 0.00 177.43 177.99 3bb1 h LEU 137 N 0.00 0.64 -1.13 6.14 6.46 -1.95 0.99 115.31 126.46 3bb1 h LEU 137 Ca 0.60 -0.12 -0.08 0.00 -0.12 0.00 0.00 57.88 58.15 3bb1 h LEU 137 Cb 2.46 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 42.21 3bb1 h LEU 137 CO -0.01 0.58 -0.30 0.44 -0.62 0.00 0.00 178.44 178.53 3bb1 h ASP 138 N 0.65 0.23 -0.61 1.25 3.32 -1.64 -1.55 116.42 118.06 3bb1 h ASP 138 Ca 0.17 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 3bb1 h ASP 138 Cb 0.11 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 3bb1 h ASP 138 CO -0.02 0.53 0.18 0.11 -1.72 0.00 0.00 179.24 178.31 3bb1 h LYS 139 N 0.20 0.99 -0.05 3.56 1.57 -0.56 -2.99 116.57 119.29 3bb1 h LYS 139 Ca 0.03 -0.21 0.03 0.00 -1.87 0.00 0.00 60.65 58.63 3bb1 h LYS 139 Cb 0.64 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 3bb1 h LYS 139 CO 0.05 0.87 -0.12 1.25 -0.57 0.00 0.00 179.45 180.92 3bb1 h LEU 140 N 0.95 -0.36 0.08 2.94 6.46 0.12 -1.84 115.31 123.66 3bb1 h LEU 140 Ca 0.21 0.06 0.02 0.00 -0.12 0.00 0.00 57.88 58.05 3bb1 h LEU 140 Cb 0.31 0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.37 3bb1 h LEU 140 CO -0.00 -0.17 -0.24 0.58 -0.62 0.00 0.00 178.44 177.99 3bb1 h VAL 141 N -0.18 0.47 -0.74 1.05 2.07 -1.39 0.23 116.25 117.77 3bb1 h VAL 141 Ca 0.06 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.74 3bb1 h VAL 141 Cb 0.26 0.47 -0.11 0.00 -1.52 0.00 0.00 31.29 30.40 3bb1 h VAL 141 CO -0.16 0.00 0.21 0.00 0.02 0.00 0.00 177.57 177.64 3bb1 h ALA 142 N 0.38 0.98 0.21 1.67 0.00 -1.37 -1.22 119.26 119.92 3bb1 h ALA 142 Ca 0.04 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3bb1 h ALA 142 Cb 0.46 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3bb1 h ALA 142 CO -0.16 -0.31 -0.10 -0.22 0.00 0.00 0.00 179.25 178.46 3bb1 h LYS 143 N 0.31 -0.27 -0.87 0.00 3.64 -0.41 -0.64 116.57 118.33 3bb1 h LYS 143 Ca 0.41 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.94 3bb1 h LYS 143 Cb 0.69 0.06 -0.14 0.00 -0.41 0.00 0.00 32.23 32.44 3bb1 h LYS 143 CO -0.48 -0.11 -0.36 0.00 -2.27 0.00 0.00 179.45 176.23 3bb1 n ALA 144 N -2.27 -0.17 -0.06 5.00 0.00 0.72 0.63 120.51 124.36 3bb1 n ALA 144 Ca -0.09 0.85 -0.11 0.00 0.00 0.00 0.00 53.44 54.08 3bb1 n ALA 144 Cb 0.17 -0.35 -0.05 0.00 0.00 0.00 0.00 19.45 19.22 3bb1 n ALA 144 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3bb1 h ILE 145 N 0.00 1.25 -0.26 0.00 2.04 -1.15 -1.42 117.51 117.97 3bb1 h ILE 145 Ca 0.28 -0.84 0.02 0.00 1.00 0.00 0.00 64.86 65.32 3bb1 h ILE 145 Cb 0.50 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 3bb1 h ILE 145 CO -0.85 0.26 0.11 0.74 0.00 0.00 0.00 178.15 178.40 3bb1 h THR 146 N 0.11 0.96 -0.97 -0.27 2.02 0.65 -0.20 112.91 115.22 3bb1 h THR 146 Ca 0.06 -0.08 0.05 0.00 0.77 0.00 0.00 66.41 67.20 3bb1 h THR 146 Cb 0.38 0.70 -0.06 0.00 -1.74 0.00 0.00 68.15 67.43 3bb1 h THR 146 CO 0.01 0.04 0.63 0.44 0.37 0.00 0.00 175.52 177.01 3bb1 h ASP 147 N 0.24 1.02 -0.20 4.18 3.32 0.19 0.44 116.42 125.62 3bb1 h ASP 147 Ca 0.11 -0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.03 3bb1 h ASP 147 Cb 0.05 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.38 3bb1 h ASP 147 CO -0.09 0.68 -0.39 0.28 -1.72 0.00 0.00 179.24 177.99 3bb1 h SER 148 N 1.18 0.69 0.00 6.45 0.02 -0.31 -3.39 113.55 118.19 3bb1 h SER 148 Ca 0.40 -0.55 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 3bb1 h SER 148 Cb 0.09 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.43 3bb1 h SER 148 CO -0.14 1.11 0.00 0.49 -1.14 0.00 0.00 176.83 177.15 3bb1 n PHE 149 N -4.25 0.00 0.00 3.45 3.72 -0.18 -4.50 117.46 115.70 3bb1 n PHE 149 Ca -0.06 -0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.19 3bb1 n PHE 149 Cb 0.53 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 3bb1 n PHE 149 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3bb1 n GLY 150 N -0.15 -1.27 0.32 1.37 0.00 0.16 -4.37 105.19 101.25 3bb1 n GLY 150 Ca 0.00 -1.46 0.16 0.00 0.00 0.00 0.00 46.02 44.72 3bb1 n GLY 150 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bb1 h LYS 151 N 0.00 0.00 -0.04 1.61 1.57 -1.92 -1.39 116.57 116.40 3bb1 h LYS 151 Ca 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3bb1 h LYS 151 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 3bb1 h LYS 151 CO 0.00 0.00 0.05 0.78 -0.57 0.00 0.00 179.45 179.71 3bb1 h GLY 152 N 0.00 0.00 1.27 3.86 0.00 -1.94 -2.05 103.07 104.21 3bb1 h GLY 152 Ca 0.06 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.46 3bb1 h GLY 152 CO -0.00 0.00 0.33 1.19 0.00 0.00 0.00 176.54 178.06 3bb1 h ILE 153 N 0.00 0.94 0.00 2.60 2.10 -1.45 -2.39 117.51 119.31 3bb1 h ILE 153 Ca 0.02 -0.13 -0.01 0.00 1.08 0.00 0.00 64.86 65.83 3bb1 h ILE 153 Cb 0.12 0.55 -0.00 0.00 -1.09 0.00 0.00 36.82 36.39 3bb1 h ILE 153 CO -0.00 0.07 -0.03 -0.50 -1.08 0.00 0.00 178.15 176.60 3bb1 h TRP 154 N 0.37 0.00 0.00 2.19 4.06 -1.58 -1.01 115.95 119.98 3bb1 h TRP 154 Ca 0.22 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.17 3bb1 h TRP 154 Cb 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.54 3bb1 h TRP 154 CO -0.00 0.03 0.00 0.09 -3.56 0.00 0.00 178.44 175.00 3bb1 n ASN 155 N -3.15 0.00 -0.34 -3.49 3.02 -0.90 -2.52 115.26 107.88 3bb1 n ASN 155 Ca 0.00 -0.55 0.07 0.00 -0.03 0.00 0.00 54.58 54.07 3bb1 n ASN 155 Cb 0.32 -0.03 0.12 0.00 -0.61 0.00 0.00 39.78 39.58 3bb1 n ASN 155 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3bb1 n LYS 156 N -1.03 0.99 -3.92 3.52 4.76 -0.39 -4.86 118.16 117.24 3bb1 n LYS 156 Ca 0.14 -2.34 -0.36 0.00 -2.87 0.00 0.00 58.31 52.88 3bb1 n LYS 156 Cb 0.08 -1.22 -0.08 0.00 -1.84 0.00 0.00 35.03 31.97 3bb1 n LYS 156 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3bb1 s ALA 157 N -2.17 3.67 -0.09 7.82 0.00 -1.05 0.32 121.76 130.26 3bb1 s ALA 157 Ca 0.27 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.56 3bb1 s ALA 157 Cb 0.24 -1.96 -0.01 0.00 0.00 0.00 0.00 23.12 21.39 3bb1 s ALA 157 CO -0.01 0.40 -0.17 0.42 0.00 0.00 0.00 175.76 176.40 3bb1 s ILE 158 N -0.35 2.70 -0.14 0.00 1.01 0.18 -4.13 121.20 120.47 3bb1 s ILE 158 Ca 0.11 -0.81 -0.17 0.00 0.00 0.00 0.00 60.65 59.78 3bb1 s ILE 158 Cb -0.12 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 3bb1 s ILE 158 CO 0.01 0.55 0.41 0.54 0.00 0.00 0.00 174.94 176.46 3bb1 s VAL 159 N 0.03 5.23 -0.29 2.92 0.11 -0.05 -0.44 120.40 127.90 3bb1 s VAL 159 Ca -0.06 0.80 0.03 0.00 -2.93 0.00 0.00 61.98 59.83 3bb1 s VAL 159 Cb -0.15 -3.75 0.08 0.00 -1.53 0.00 0.00 36.38 31.03 3bb1 s VAL 159 CO 0.05 0.34 -0.04 0.00 -3.33 0.00 0.00 175.10 172.12 3bb1 s ALA 160 N 0.61 2.67 -0.38 1.54 0.00 0.22 0.50 121.76 126.92 3bb1 s ALA 160 Ca 0.22 -2.05 -0.22 0.00 0.00 0.00 0.00 51.96 49.91 3bb1 s ALA 160 Cb -0.14 -1.73 0.01 0.00 0.00 0.00 0.00 23.12 21.26 3bb1 s ALA 160 CO 0.08 -1.39 0.71 -0.51 0.00 0.00 0.00 175.76 174.65 3bb1 s LEU 161 N 1.04 4.23 0.00 0.00 1.43 -0.71 -2.12 118.68 122.55 3bb1 s LEU 161 Ca -0.01 0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 53.13 3bb1 s LEU 161 Cb -0.20 -2.90 0.15 0.00 0.03 0.00 0.00 46.19 43.28 3bb1 s LEU 161 CO -0.06 -0.71 0.76 0.35 0.23 0.00 0.00 176.35 176.92 3bb1 n THR 162 N 5.76 0.00 -3.72 5.49 -2.24 -0.48 -1.40 114.28 117.69 3bb1 n THR 162 Ca 0.01 -0.49 -0.23 0.00 -2.27 0.00 0.00 64.05 61.07 3bb1 n THR 162 Cb 0.48 -1.50 0.04 0.00 -2.10 0.00 0.00 70.33 67.25 3bb1 n THR 162 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3bb1 n HIS 163 N -3.41 -2.06 1.09 4.78 8.25 -1.08 -0.38 115.22 122.41 3bb1 n HIS 163 Ca 0.10 0.87 0.14 0.00 -0.26 0.00 0.00 57.72 58.57 3bb1 n HIS 163 Cb 0.36 -4.40 0.64 0.00 1.12 0.00 0.00 29.99 27.71 3bb1 n HIS 163 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bb1 n ALA 164 N -4.38 2.38 -2.89 -1.41 0.00 -0.01 -4.43 120.51 109.77 3bb1 n ALA 164 Ca -0.21 -0.11 -0.43 0.00 0.00 0.00 0.00 53.44 52.68 3bb1 n ALA 164 Cb 0.64 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 3bb1 n ALA 164 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3bb1 s GLN 165 N -2.90 3.38 -0.27 0.00 0.74 -1.26 -4.62 119.66 114.73 3bb1 s GLN 165 Ca 0.17 -1.35 -0.18 0.00 0.05 0.00 0.00 55.36 54.05 3bb1 s GLN 165 Cb 0.19 -4.64 0.07 0.00 1.10 0.00 0.00 33.01 29.73 3bb1 s GLN 165 CO 0.52 -1.80 0.68 0.12 -0.55 0.00 0.00 175.29 174.25 3bb1 s PHE 166 N 3.34 -0.94 -0.37 1.67 5.36 -1.26 -5.12 117.98 120.66 3bb1 s PHE 166 Ca 0.28 2.00 -0.14 0.00 -0.96 0.00 0.00 56.93 58.11 3bb1 s PHE 166 Cb -0.10 0.49 -0.00 0.00 -0.34 0.00 0.00 43.02 43.07 3bb1 s PHE 166 CO -0.01 -0.47 0.29 -1.12 -1.46 0.00 0.00 175.22 172.45 3bb1 s SER 167 N 1.20 6.10 0.52 6.13 0.01 -1.26 -4.97 113.70 121.43 3bb1 s SER 167 Ca -0.07 -0.61 -0.23 0.00 1.31 0.00 0.00 55.95 56.36 3bb1 s SER 167 Cb -0.05 -2.16 -0.06 0.00 0.21 0.00 0.00 66.02 63.96 3bb1 s SER 167 CO -0.13 -0.35 1.35 -2.84 0.41 0.00 0.00 173.24 171.68 3bb1 s PRO 168 N 1.76 3.32 0.73 12.44 0.02 -1.26 -4.99 135.00 147.01 3bb1 s PRO 168 Ca 0.07 2.21 -0.11 0.00 0.02 0.00 0.00 61.00 63.18 3bb1 s PRO 168 Cb -0.18 -2.35 0.03 0.00 0.02 0.00 0.00 34.50 32.02 3bb1 s PRO 168 CO 0.11 -1.04 1.08 -2.14 -0.33 0.00 0.00 177.00 174.67 3bb1 s PRO 169 N -2.79 2.67 -1.42 5.54 0.02 -1.26 -3.83 135.00 133.93 3bb1 s PRO 169 Ca 0.69 0.73 -0.08 0.00 0.02 0.00 0.00 61.00 62.35 3bb1 s PRO 169 Cb -0.40 -1.98 0.05 0.00 0.02 0.00 0.00 34.50 32.20 3bb1 s PRO 169 CO 0.48 -1.23 0.64 -0.25 -0.33 0.00 0.00 177.00 176.31 3bb1 n ASP 170 N -3.18 -4.84 -4.30 2.53 9.92 -1.26 -2.47 116.55 112.94 3bb1 n ASP 170 Ca 0.07 -0.42 -0.37 0.00 -0.53 0.00 0.00 54.79 53.54 3bb1 n ASP 170 Cb 0.55 -3.93 -0.05 0.00 -0.64 0.00 0.00 41.12 37.05 3bb1 n ASP 170 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3bb1 n GLY 171 N -1.41 -0.40 3.69 0.44 0.00 -1.25 -4.86 105.19 101.40 3bb1 n GLY 171 Ca -0.04 0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3bb1 n GLY 171 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3bb1 s LEU 172 N -7.25 4.29 0.18 0.99 2.96 -1.03 -4.92 118.68 113.90 3bb1 s LEU 172 Ca 0.68 1.88 -0.33 0.00 -0.22 0.00 0.00 54.13 56.14 3bb1 s LEU 172 Cb -0.38 -3.56 -0.14 0.00 0.50 0.00 0.00 46.19 42.61 3bb1 s LEU 172 CO 0.96 -0.60 1.40 -2.65 -1.32 0.00 0.00 176.35 174.13 3bb1 n PRO 173 N 5.17 1.77 -0.32 0.98 -0.02 -1.26 -4.47 135.00 136.85 3bb1 n PRO 173 Ca 0.11 0.63 0.17 0.00 -2.02 0.00 0.00 63.50 62.39 3bb1 n PRO 173 Cb 0.46 -2.29 0.34 0.00 -0.02 0.00 0.00 33.50 31.99 3bb1 n PRO 173 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3bb1 h TYR 174 N 4.59 0.28 -0.18 6.00 5.03 -1.93 -1.33 116.97 129.44 3bb1 h TYR 174 Ca -0.45 0.06 -0.22 0.00 2.58 0.00 0.00 58.73 60.70 3bb1 h TYR 174 Cb 1.29 0.03 0.01 0.00 1.55 0.00 0.00 36.73 39.61 3bb1 h TYR 174 CO 0.58 -0.34 -0.74 0.38 -1.32 0.00 0.00 178.16 176.73 3bb1 h ASP 175 N 0.10 0.95 -0.65 -2.11 3.04 -1.99 -1.90 116.42 113.86 3bb1 h ASP 175 Ca 0.62 -0.61 0.06 0.00 -3.24 0.00 0.00 57.03 53.86 3bb1 h ASP 175 Cb 1.35 -0.28 -0.06 0.00 -1.04 0.00 0.00 39.33 39.30 3bb1 h ASP 175 CO -0.78 1.41 0.35 -0.08 -2.04 0.00 0.00 179.24 178.10 3bb1 h GLU 176 N 0.55 0.63 -0.04 4.15 4.81 -1.63 0.12 114.58 123.17 3bb1 h GLU 176 Ca -0.04 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.18 3bb1 h GLU 176 Cb 1.36 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.57 3bb1 h GLU 176 CO 0.15 0.42 -0.12 0.35 -0.73 0.00 0.00 179.01 179.08 3bb1 h PHE 177 N 0.65 -0.31 -0.40 0.92 3.04 -1.27 -0.58 116.94 118.98 3bb1 h PHE 177 Ca 0.29 0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.29 3bb1 h PHE 177 Cb 0.20 0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.82 3bb1 h PHE 177 CO -0.09 -0.18 0.20 0.35 -2.02 0.00 0.00 178.31 176.57 3bb1 h PHE 178 N -0.19 0.36 -0.18 0.41 3.57 -0.58 0.15 116.94 120.49 3bb1 h PHE 178 Ca 0.06 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.61 3bb1 h PHE 178 Cb 0.27 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.86 3bb1 h PHE 178 CO -0.20 0.19 -0.05 1.03 -2.23 0.00 0.00 178.31 177.05 3bb1 h SER 179 N 0.40 -0.19 -0.32 0.41 0.87 -0.63 -0.98 113.55 113.10 3bb1 h SER 179 Ca 0.17 0.06 -0.08 0.00 -1.23 0.00 0.00 61.79 60.70 3bb1 h SER 179 Cb 0.08 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 3bb1 h SER 179 CO -0.12 -0.07 -0.13 0.11 -0.53 0.00 0.00 176.83 176.09 3bb1 h LYS 180 N -0.02 0.65 0.04 2.24 1.79 -0.62 -2.27 116.57 118.38 3bb1 h LYS 180 Ca 0.09 -0.27 0.02 0.00 -2.18 0.00 0.00 60.65 58.30 3bb1 h LYS 180 Cb 0.15 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.75 3bb1 h LYS 180 CO -0.19 0.86 -0.17 -0.09 -1.08 0.00 0.00 179.45 178.77 3bb1 h ARG 181 N 0.42 -0.29 -0.60 3.15 9.65 -0.65 -1.75 114.38 124.31 3bb1 h ARG 181 Ca 0.07 0.02 0.08 0.00 -1.10 0.00 0.00 59.98 59.06 3bb1 h ARG 181 Cb 0.65 0.07 -0.07 0.00 -1.39 0.00 0.00 29.97 29.23 3bb1 h ARG 181 CO 0.04 -0.19 0.24 0.77 2.80 0.00 0.00 179.97 183.63 3bb1 h SER 182 N -0.30 0.27 -0.12 -3.80 0.02 -1.18 -1.53 113.55 106.92 3bb1 h SER 182 Ca 0.04 0.07 0.03 0.00 -0.84 0.00 0.00 61.79 61.09 3bb1 h SER 182 Cb 0.35 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 3bb1 h SER 182 CO -0.13 0.17 -0.09 -0.08 -1.14 0.00 0.00 176.83 175.56 3bb1 h GLU 183 N 0.44 -0.09 0.29 3.45 4.81 -1.22 0.27 114.58 122.53 3bb1 h GLU 183 Ca 0.29 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.52 3bb1 h GLU 183 Cb 0.33 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.73 3bb1 h GLU 183 CO -0.27 -0.06 -0.14 0.00 -0.73 0.00 0.00 179.01 177.80 3bb1 h ALA 184 N 0.99 -0.39 -0.60 2.92 0.00 -0.90 -0.09 119.26 121.20 3bb1 h ALA 184 Ca 0.08 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.87 3bb1 h ALA 184 Cb 0.21 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 3bb1 h ALA 184 CO -0.18 -0.57 0.32 1.25 0.00 0.00 0.00 179.25 180.07 3bb1 h LEU 185 N -0.69 0.45 -0.96 0.00 5.85 -1.30 -0.86 115.31 117.81 3bb1 h LEU 185 Ca -0.04 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.74 3bb1 h LEU 185 Cb 0.47 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 3bb1 h LEU 185 CO 0.07 0.30 0.63 -0.07 -0.34 0.00 0.00 178.44 179.02 3bb1 h LEU 186 N 0.59 1.07 0.07 2.25 3.38 -0.84 -1.07 115.31 120.75 3bb1 h LEU 186 Ca 0.27 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.25 3bb1 h LEU 186 Cb 0.18 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 3bb1 h LEU 186 CO -0.18 0.75 -0.32 -0.61 0.09 0.00 0.00 178.44 178.17 3bb1 h GLN 187 N 1.25 -0.50 -0.63 1.13 5.75 0.40 -1.93 115.11 120.59 3bb1 h GLN 187 Ca 0.37 0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.86 3bb1 h GLN 187 Cb -0.07 0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.57 3bb1 h GLN 187 CO -0.10 -0.33 0.21 0.28 -2.65 0.00 0.00 178.83 176.23 3bb1 h VAL 188 N -0.52 1.23 -0.49 2.39 2.07 -1.22 -0.25 116.25 119.47 3bb1 h VAL 188 Ca 0.04 -0.79 -0.08 0.00 0.82 0.00 0.00 66.70 66.70 3bb1 h VAL 188 Cb 0.57 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3bb1 h VAL 188 CO -0.22 0.31 -0.01 0.58 0.02 0.00 0.00 177.57 178.24 3bb1 h VAL 189 N 0.92 1.26 -0.14 2.57 2.07 -1.02 -1.88 116.25 120.03 3bb1 h VAL 189 Ca 0.21 -1.09 -0.20 0.00 0.82 0.00 0.00 66.70 66.44 3bb1 h VAL 189 Cb 0.25 0.99 0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3bb1 h VAL 189 CO -0.01 0.38 -0.69 -0.09 0.02 0.00 0.00 177.57 177.18 3bb1 h ARG 190 N 0.73 0.71 -0.18 1.57 1.12 -0.90 -0.13 114.38 117.31 3bb1 h ARG 190 Ca 0.14 -0.58 0.05 0.00 -1.11 0.00 0.00 59.98 58.48 3bb1 h ARG 190 Cb 0.53 0.12 -0.06 0.00 -0.01 0.00 0.00 29.97 30.54 3bb1 h ARG 190 CO 0.03 1.19 -0.24 1.03 -3.11 0.00 0.00 179.97 178.87 3bb1 h SER 191 N 0.40 -0.75 0.91 -3.80 0.87 -1.01 0.09 113.55 110.26 3bb1 h SER 191 Ca -0.05 0.13 -0.07 0.00 -1.23 0.00 0.00 61.79 60.57 3bb1 h SER 191 Cb 1.33 0.34 -0.01 0.00 -0.44 0.00 0.00 62.40 63.62 3bb1 h SER 191 CO 0.14 -0.28 -0.33 1.23 -0.53 0.00 0.00 176.83 177.06 3bb1 h GLY 192 N -0.28 0.00 1.64 5.77 0.00 -1.28 -2.76 103.07 106.17 3bb1 h GLY 192 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 3bb1 h GLY 192 CO -0.34 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.20 3bb1 n ALA 193 N -2.27 2.38 -3.13 3.60 0.00 -0.07 -2.96 120.51 118.07 3bb1 n ALA 193 Ca 0.00 -0.13 -0.23 0.00 0.00 0.00 0.00 53.44 53.09 3bb1 n ALA 193 Cb 0.50 -1.46 0.02 0.00 0.00 0.00 0.00 19.45 18.51 3bb1 n ALA 193 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3bb1 n SER 194 N -1.32 -5.29 -4.81 0.00 7.64 -0.81 -4.92 113.62 104.11 3bb1 n SER 194 Ca 0.12 -0.31 -0.35 0.00 1.01 0.00 0.00 58.87 59.34 3bb1 n SER 194 Cb 0.24 -4.30 -0.06 0.00 -1.01 0.00 0.00 64.21 59.08 3bb1 n SER 194 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3bb1 s LEU 195 N -6.61 4.24 -0.86 -3.43 1.43 -0.05 -5.00 118.68 108.40 3bb1 s LEU 195 Ca 0.33 1.58 0.01 0.00 -1.03 0.00 0.00 54.13 55.02 3bb1 s LEU 195 Cb -0.16 -3.96 0.27 0.00 0.03 0.00 0.00 46.19 42.38 3bb1 s LEU 195 CO 0.41 -0.10 1.08 1.17 0.23 0.00 0.00 176.35 179.14 3bb1 n LYS 196 N 0.29 3.40 -0.32 1.70 4.81 -1.26 -4.61 118.16 122.18 3bb1 n LYS 196 Ca 0.01 -4.60 0.00 0.00 -0.87 0.00 0.00 58.31 52.85 3bb1 n LYS 196 Cb 0.51 -2.39 0.00 0.00 0.02 0.00 0.00 35.03 33.18 3bb1 n LYS 196 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3bb1 n LYS 197 N 1.21 0.00 0.00 1.64 5.02 -1.26 -5.23 118.16 119.54 3bb1 n LYS 197 Ca 0.27 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 3bb1 n LYS 197 Cb 0.37 -0.16 0.00 0.00 -0.02 0.00 0.00 35.03 35.22 3bb1 n LYS 197 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3bb1 n ALA 201 N -0.32 0.00 -1.39 7.82 0.00 -1.26 -5.19 120.51 120.17 3bb1 n ALA 201 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3bb1 n ALA 201 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3bb1 n ALA 201 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3bb1 n SER 202 N -0.66 0.00 0.00 0.00 3.41 -1.26 -5.11 113.62 110.00 3bb1 n SER 202 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3bb1 n SER 202 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3bb1 n SER 202 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3bb1 n ASP 203 N -0.63 0.00 -4.52 4.04 8.00 -1.26 -4.96 116.55 117.22 3bb1 n ASP 203 Ca 0.00 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.10 3bb1 n ASP 203 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 3bb1 n ASP 203 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3bb1 s ILE 204 N -0.42 5.26 0.54 0.53 1.01 -1.26 -5.00 121.20 121.85 3bb1 s ILE 204 Ca 0.00 -0.25 -0.19 0.00 0.00 0.00 0.00 60.65 60.21 3bb1 s ILE 204 Cb 0.00 -3.71 -0.06 0.00 0.01 0.00 0.00 42.46 38.70 3bb1 s ILE 204 CO 0.00 -0.02 1.11 -2.16 0.00 0.00 0.00 174.94 173.87 3bb1 s PRO 205 N 1.72 3.38 -0.15 2.79 0.05 -1.26 -4.84 135.00 136.69 3bb1 s PRO 205 Ca 0.06 1.55 -0.00 0.00 0.05 0.00 0.00 61.00 62.66 3bb1 s PRO 205 Cb -0.17 -2.02 -0.01 0.00 0.05 0.00 0.00 34.50 32.35 3bb1 s PRO 205 CO 0.10 -0.81 -0.14 0.08 0.05 0.00 0.00 177.00 176.28 3bb1 s VAL 206 N -1.85 2.81 0.26 -0.36 1.01 -1.26 -0.87 120.40 120.15 3bb1 s VAL 206 Ca 0.71 -0.72 0.10 0.00 0.00 0.00 0.00 61.98 62.07 3bb1 s VAL 206 Cb -0.22 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 3bb1 s VAL 206 CO 0.27 0.51 -0.01 0.68 0.00 0.00 0.00 175.10 176.55 3bb1 s VAL 207 N 0.76 3.44 -0.09 2.92 -7.23 0.18 -4.97 120.40 115.42 3bb1 s VAL 207 Ca -0.06 -1.90 -0.00 0.00 -1.81 0.00 0.00 61.98 58.21 3bb1 s VAL 207 Cb -0.15 -2.83 -0.03 0.00 0.56 0.00 0.00 36.38 33.92 3bb1 s VAL 207 CO 0.01 -0.36 -0.06 -0.76 -0.31 0.00 0.00 175.10 173.62 3bb1 s LEU 208 N -3.64 3.21 0.04 1.32 1.43 -1.26 -1.73 118.68 118.05 3bb1 s LEU 208 Ca 0.31 -0.03 0.06 0.00 -1.03 0.00 0.00 54.13 53.44 3bb1 s LEU 208 Cb -0.06 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 3bb1 s LEU 208 CO 0.20 0.33 -0.16 -0.63 0.23 0.00 0.00 176.35 176.31 3bb1 s ILE 209 N -0.58 1.29 -0.22 -0.59 1.01 -0.49 -4.84 121.20 116.77 3bb1 s ILE 209 Ca 0.09 -1.07 -0.03 0.00 0.00 0.00 0.00 60.65 59.63 3bb1 s ILE 209 Cb -0.12 -1.15 0.10 0.00 0.01 0.00 0.00 42.46 41.30 3bb1 s ILE 209 CO 0.02 0.06 0.23 -0.70 0.00 0.00 0.00 174.94 174.55 3bb1 s GLU 210 N -1.17 0.21 -0.08 2.79 2.56 -1.26 -0.83 118.70 120.91 3bb1 s GLU 210 Ca 0.03 0.14 0.12 0.00 0.00 0.00 0.00 54.97 55.26 3bb1 s GLU 210 Cb -0.08 -1.11 -0.24 0.00 2.00 0.00 0.00 34.13 34.70 3bb1 s GLU 210 CO 0.01 -0.72 0.50 0.09 -0.56 0.00 0.00 175.26 174.59 3bb1 n ASN 211 N 5.32 0.84 -3.61 -1.70 3.02 -1.26 -4.93 115.26 112.95 3bb1 n ASN 211 Ca -0.05 0.31 -0.48 0.00 -0.03 0.00 0.00 54.58 54.33 3bb1 n ASN 211 Cb 0.49 0.06 -0.07 0.00 -0.61 0.00 0.00 39.78 39.65 3bb1 n ASN 211 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3bb1 n SER 212 N -3.03 0.06 -0.28 6.41 2.88 -1.26 -4.81 113.62 113.59 3bb1 n SER 212 Ca -0.22 0.93 0.22 0.00 -1.33 0.00 0.00 58.87 58.47 3bb1 n SER 212 Cb 1.07 -0.73 0.54 0.00 -0.75 0.00 0.00 64.21 64.33 3bb1 n SER 212 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3bb1 h GLY 213 N 2.51 0.92 -2.81 0.46 0.00 -2.03 -2.52 103.07 99.59 3bb1 h GLY 213 Ca -0.40 -0.17 -0.20 0.00 0.00 0.00 0.00 47.33 46.56 3bb1 h GLY 213 CO 0.54 -0.06 0.25 0.54 0.00 0.00 0.00 176.54 177.81 3bb1 n ARG 214 N -4.52 1.93 -1.96 4.80 5.12 -1.26 -4.89 116.66 115.87 3bb1 n ARG 214 Ca 0.22 -1.50 -0.39 0.00 -1.93 0.00 0.00 57.85 54.26 3bb1 n ARG 214 Cb 0.82 -1.65 0.01 0.00 -1.16 0.00 0.00 32.46 30.48 3bb1 n ARG 214 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3bb1 s ASN 216 N -0.86 4.00 0.08 0.00 0.01 -1.26 -4.91 114.94 112.01 3bb1 s ASN 216 Ca 0.63 2.08 0.06 0.00 -0.71 0.00 0.00 52.86 54.92 3bb1 s ASN 216 Cb -0.38 -2.55 -0.03 0.00 0.41 0.00 0.00 41.25 38.69 3bb1 s ASN 216 CO 0.48 -2.38 -0.17 -0.54 -1.51 0.00 0.00 177.10 172.98 3bb1 s LYS 217 N -4.51 0.96 0.08 -0.60 1.02 -1.26 -1.46 119.74 113.97 3bb1 s LYS 217 Ca 0.66 -1.01 -0.00 0.00 0.02 0.00 0.00 55.97 55.64 3bb1 s LYS 217 Cb -0.22 -1.07 0.02 0.00 -0.52 0.00 0.00 37.83 36.04 3bb1 s LYS 217 CO 0.52 0.25 0.10 0.27 -0.92 0.00 0.00 175.35 175.57 3bb1 n ASN 218 N 1.30 0.09 0.16 2.83 0.23 0.12 -4.81 115.26 115.20 3bb1 n ASN 218 Ca -0.20 -1.09 0.04 0.00 -0.53 0.00 0.00 54.58 52.80 3bb1 n ASN 218 Cb 0.54 -0.07 0.46 0.00 -2.08 0.00 0.00 39.78 38.63 3bb1 n ASN 218 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3bb1 h ASP 219 N -0.09 0.15 -0.36 0.53 5.19 -2.01 -1.74 116.42 118.08 3bb1 h ASP 219 Ca -0.03 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 3bb1 h ASP 219 Cb 0.11 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.59 3bb1 h ASP 219 CO 0.03 0.26 0.00 -1.20 -3.12 0.00 0.00 179.24 175.21 3bb1 n SER 220 N -4.35 2.56 -1.48 6.45 7.64 -1.26 -4.88 113.62 118.30 3bb1 n SER 220 Ca -0.01 -2.17 -0.13 0.00 1.01 0.00 0.00 58.87 57.56 3bb1 n SER 220 Cb 0.22 -0.38 -0.01 0.00 -1.01 0.00 0.00 64.21 63.03 3bb1 n SER 220 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3bb1 n ASP 221 N 0.52 -4.21 -4.87 6.43 2.03 -0.65 -4.54 116.55 111.26 3bb1 n ASP 221 Ca 0.13 0.02 -0.33 0.00 0.52 0.00 0.00 54.79 55.14 3bb1 n ASP 221 Cb 0.47 -3.34 -0.05 0.00 -0.72 0.00 0.00 41.12 37.48 3bb1 n ASP 221 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3bb1 s GLU 222 N -4.52 3.85 -0.05 -0.67 2.02 -1.26 -4.45 118.70 113.62 3bb1 s GLU 222 Ca 0.00 0.33 -0.30 0.00 0.02 0.00 0.00 54.97 55.02 3bb1 s GLU 222 Cb 0.00 -2.71 -0.06 0.00 0.10 0.00 0.00 34.13 31.46 3bb1 s GLU 222 CO 0.00 0.36 1.67 0.15 0.02 0.00 0.00 175.26 177.46 3bb1 s LYS 223 N -2.60 4.18 0.11 1.61 1.02 -1.26 0.15 119.74 122.95 3bb1 s LYS 223 Ca 0.45 2.22 0.07 0.00 0.02 0.00 0.00 55.97 58.72 3bb1 s LYS 223 Cb -0.12 -3.99 -0.04 0.00 -0.52 0.00 0.00 37.83 33.15 3bb1 s LYS 223 CO 0.21 -0.85 -0.08 0.14 -0.92 0.00 0.00 175.35 173.84 3bb1 s VAL 224 N 4.05 3.48 0.58 3.17 -7.23 -0.54 -2.80 120.40 121.12 3bb1 s VAL 224 Ca 0.74 -1.25 -0.09 0.00 -1.81 0.00 0.00 61.98 59.57 3bb1 s VAL 224 Cb -0.34 -2.65 -0.03 0.00 0.56 0.00 0.00 36.38 33.92 3bb1 s VAL 224 CO 0.30 0.09 0.95 -0.76 -0.31 0.00 0.00 175.10 175.38 3bb1 s LEU 225 N -2.29 3.34 0.65 1.32 1.43 0.56 -4.32 118.68 119.37 3bb1 s LEU 225 Ca 0.23 1.23 0.32 0.00 -1.03 0.00 0.00 54.13 54.87 3bb1 s LEU 225 Cb -0.11 -4.23 1.72 0.00 0.03 0.00 0.00 46.19 43.60 3bb1 s LEU 225 CO 0.15 -0.81 1.99 -0.65 0.23 0.00 0.00 176.35 177.26 3bb1 h PRO 226 N -0.16 0.00 -0.02 1.29 0.11 -1.89 0.85 132.00 132.18 3bb1 h PRO 226 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3bb1 h PRO 226 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3bb1 h PRO 226 CO 0.62 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.68 3bb1 n ASN 227 N -3.08 1.00 0.00 -2.05 0.23 -1.26 -4.92 115.26 105.18 3bb1 n ASN 227 Ca -0.01 -1.35 0.00 0.00 -0.53 0.00 0.00 54.58 52.70 3bb1 n ASN 227 Cb 0.37 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.06 3bb1 n ASN 227 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3bb1 n GLY 228 N 1.11 0.90 3.74 4.83 0.00 0.29 -5.04 105.19 111.02 3bb1 n GLY 228 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 3bb1 n GLY 228 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bb1 s ILE 229 N -3.42 4.36 -0.35 -0.61 1.01 -1.26 -4.75 121.20 116.19 3bb1 s ILE 229 Ca 0.00 2.08 -0.29 0.00 0.00 0.00 0.00 60.65 62.44 3bb1 s ILE 229 Cb 0.00 -4.33 -0.01 0.00 0.01 0.00 0.00 42.46 38.14 3bb1 s ILE 229 CO 0.00 0.37 1.58 0.00 0.00 0.00 0.00 174.94 176.89 3bb1 s ALA 230 N -0.37 3.04 0.09 9.38 0.00 -1.26 -0.32 121.76 132.31 3bb1 s ALA 230 Ca 0.45 0.11 -0.15 0.00 0.00 0.00 0.00 51.96 52.37 3bb1 s ALA 230 Cb -0.24 -3.94 -0.11 0.00 0.00 0.00 0.00 23.12 18.82 3bb1 s ALA 230 CO 0.31 -2.37 1.37 0.11 0.00 0.00 0.00 175.76 175.17 3bb1 h TRP 231 N 11.42 0.82 -0.01 0.00 5.08 -1.85 -3.07 115.95 128.35 3bb1 h TRP 231 Ca -0.31 -0.28 0.03 0.00 1.08 0.00 0.00 58.89 59.41 3bb1 h TRP 231 Cb 1.14 -0.16 -0.06 0.00 -3.00 0.00 0.00 29.16 27.08 3bb1 h TRP 231 CO 0.95 1.04 -0.45 0.82 -1.28 0.00 0.00 178.44 179.51 3bb1 h ILE 232 N 0.38 0.11 -0.52 0.12 2.04 -1.90 0.31 117.51 118.04 3bb1 h ILE 232 Ca 0.02 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.96 3bb1 h ILE 232 Cb 0.95 0.11 -0.07 0.00 -0.74 0.00 0.00 36.82 37.07 3bb1 h ILE 232 CO 0.08 0.00 0.15 -0.65 0.00 0.00 0.00 178.15 177.73 3bb1 h PRO 233 N -0.60 0.29 -0.69 2.37 0.11 -1.91 0.11 132.00 131.67 3bb1 h PRO 233 Ca 0.04 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.20 3bb1 h PRO 233 Cb 0.68 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 31.68 3bb1 h PRO 233 CO -0.34 0.19 0.46 1.25 -0.21 0.00 0.00 178.00 179.36 3bb1 h HIS 234 N 0.30 0.70 0.12 0.65 2.76 -1.25 0.19 115.15 118.63 3bb1 h HIS 234 Ca 0.26 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.44 3bb1 h HIS 234 Cb 0.32 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.05 3bb1 h HIS 234 CO -0.20 0.37 -0.06 1.25 -1.30 0.00 0.00 177.93 177.99 3bb1 h LEU 235 N 0.69 -0.14 -1.42 0.26 5.85 0.19 -1.63 115.31 119.11 3bb1 h LEU 235 Ca 0.30 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 3bb1 h LEU 235 Cb 0.30 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3bb1 h LEU 235 CO -0.10 0.21 -0.17 0.58 -0.34 0.00 0.00 178.44 178.63 3bb1 h VAL 236 N -0.51 0.49 -0.06 1.05 2.07 0.19 0.37 116.25 119.85 3bb1 h VAL 236 Ca -0.02 -0.87 -0.08 0.00 0.82 0.00 0.00 66.70 66.56 3bb1 h VAL 236 Cb 0.41 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 3bb1 h VAL 236 CO 0.03 0.17 -0.26 -0.61 0.02 0.00 0.00 177.57 176.92 3bb1 h GLN 237 N 0.00 0.29 -0.41 1.57 4.15 -0.60 0.55 115.11 120.66 3bb1 h GLN 237 Ca -0.00 -0.22 0.04 0.00 0.77 0.00 0.00 58.65 59.24 3bb1 h GLN 237 Cb 0.59 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.28 3bb1 h GLN 237 CO 0.02 0.86 0.16 1.15 -1.93 0.00 0.00 178.83 179.10 3bb1 h THR 238 N -0.23 0.90 -0.68 2.39 2.02 -0.16 0.22 112.91 117.38 3bb1 h THR 238 Ca -0.01 -0.12 0.15 0.00 0.77 0.00 0.00 66.41 67.20 3bb1 h THR 238 Cb 0.90 0.54 -0.11 0.00 -1.74 0.00 0.00 68.15 67.74 3bb1 h THR 238 CO 0.05 0.06 0.04 0.40 0.37 0.00 0.00 175.52 176.45 3bb1 h ILE 239 N 0.34 0.46 -0.30 3.11 2.04 -0.97 0.15 117.51 122.34 3bb1 h ILE 239 Ca 0.18 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.98 3bb1 h ILE 239 Cb 0.15 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 3bb1 h ILE 239 CO -0.17 0.03 0.14 0.74 0.00 0.00 0.00 178.15 178.89 3bb1 h THR 240 N 0.15 1.15 -0.55 -0.27 2.02 0.15 0.83 112.91 116.39 3bb1 h THR 240 Ca 0.36 -0.44 -0.07 0.00 0.77 0.00 0.00 66.41 67.04 3bb1 h THR 240 Cb 0.61 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 3bb1 h THR 240 CO -0.55 0.16 0.05 -0.33 0.37 0.00 0.00 175.52 175.22 3bb1 h GLU 241 N 0.35 0.90 0.51 6.66 5.08 0.25 0.32 114.58 128.66 3bb1 h GLU 241 Ca 0.10 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 3bb1 h GLU 241 Cb 0.12 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.26 3bb1 h GLU 241 CO -0.01 0.86 -0.25 0.28 -1.00 0.00 0.00 179.01 178.89 3bb1 h VAL 242 N 0.85 0.31 -1.24 3.13 2.07 -0.35 -0.11 116.25 120.90 3bb1 h VAL 242 Ca 0.17 -0.45 0.37 0.00 0.82 0.00 0.00 66.70 67.61 3bb1 h VAL 242 Cb 0.42 0.44 -0.10 0.00 -1.52 0.00 0.00 31.29 30.53 3bb1 h VAL 242 CO 0.01 0.05 0.82 0.00 0.02 0.00 0.00 177.57 178.48 3bb1 h ALA 243 N -0.79 2.69 -0.40 1.67 0.00 0.11 0.80 119.26 123.34 3bb1 h ALA 243 Ca -0.07 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3bb1 h ALA 243 Cb 0.61 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3bb1 h ALA 243 CO 0.12 -1.19 0.00 1.28 0.00 0.00 0.00 179.25 179.45 3bb1 n LEU 244 N -4.54 4.46 0.00 0.00 4.77 0.06 -5.00 117.00 116.75 3bb1 n LEU 244 Ca 0.32 -2.86 -0.01 0.00 -0.03 0.00 0.00 56.01 53.43 3bb1 n LEU 244 Cb 1.25 -0.57 0.01 0.00 -2.33 0.00 0.00 43.42 41.78 3bb1 n LEU 244 CO 0.27 0.68 0.02 -0.46 -1.33 0.00 0.00 177.39 176.57 3bb1 n ASN 245 N 0.08 -1.03 0.01 -1.43 0.23 0.28 -4.92 115.26 108.47 3bb1 n ASN 245 Ca 0.23 -0.53 0.14 0.00 -0.53 0.00 0.00 54.58 53.89 3bb1 n ASN 245 Cb 0.95 -0.03 0.56 0.00 -2.08 0.00 0.00 39.78 39.18 3bb1 n ASN 245 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3bb1 n LYS 246 N -1.61 0.03 -4.00 -3.83 4.01 -1.26 -4.93 118.16 106.56 3bb1 n LYS 246 Ca 0.01 0.02 -0.22 0.00 -0.51 0.00 0.00 58.31 57.61 3bb1 n LYS 246 Cb 0.02 -1.53 -0.04 0.00 -0.51 0.00 0.00 35.03 32.97 3bb1 n LYS 246 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 3bb1 s SER 247 N -3.15 5.39 0.33 4.39 0.01 -1.26 -5.10 113.70 114.31 3bb1 s SER 247 Ca 0.13 -0.37 -0.08 0.00 1.31 0.00 0.00 55.95 56.95 3bb1 s SER 247 Cb 0.18 -1.21 -0.06 0.00 0.21 0.00 0.00 66.02 65.14 3bb1 s SER 247 CO 0.55 -0.16 0.64 -1.83 0.41 0.00 0.00 173.24 172.85 3bb1 s GLU 248 N -3.90 3.72 0.86 12.44 -1.05 -1.26 -5.03 118.70 124.48 3bb1 s GLU 248 Ca 0.36 0.24 -0.11 0.00 -0.15 0.00 0.00 54.97 55.31 3bb1 s GLU 248 Cb -0.07 -2.54 0.11 0.00 -0.44 0.00 0.00 34.13 31.19 3bb1 s GLU 248 CO 0.25 0.13 1.09 -1.12 0.95 0.00 0.00 175.26 176.56 3bb1 s SER 249 N -3.04 3.77 -0.24 0.83 0.01 -1.26 -4.90 113.70 108.87 3bb1 s SER 249 Ca 0.47 1.66 -0.07 0.00 1.31 0.00 0.00 55.95 59.32 3bb1 s SER 249 Cb -0.11 -2.33 -0.03 0.00 0.21 0.00 0.00 66.02 63.76 3bb1 s SER 249 CO 0.29 -2.48 0.07 -0.63 0.41 0.00 0.00 173.24 170.90 3bb1 s ILE 250 N -2.89 4.43 -0.22 1.44 -1.09 0.48 -4.96 121.20 118.39 3bb1 s ILE 250 Ca 0.63 -0.14 -0.14 0.00 -2.23 0.00 0.00 60.65 58.77 3bb1 s ILE 250 Cb -0.18 -3.06 -0.04 0.00 -1.58 0.00 0.00 42.46 37.60 3bb1 s ILE 250 CO 0.57 0.36 0.33 0.12 -1.23 0.00 0.00 174.94 175.09 3bb1 s PHE 251 N 1.35 3.35 -0.46 3.97 5.36 -1.26 -0.05 117.98 130.24 3bb1 s PHE 251 Ca 0.05 0.49 -0.10 0.00 -0.96 0.00 0.00 56.93 56.42 3bb1 s PHE 251 Cb -0.15 -2.46 0.11 0.00 -0.34 0.00 0.00 43.02 40.18 3bb1 s PHE 251 CO 0.04 -0.01 0.33 0.08 -1.46 0.00 0.00 175.22 174.20 3bb1 s VAL 252 N 1.32 4.30 0.42 3.12 1.01 0.01 -4.95 120.40 125.64 3bb1 s VAL 252 Ca 0.16 -1.65 0.07 0.00 0.00 0.00 0.00 61.98 60.55 3bb1 s VAL 252 Cb -0.14 -3.77 -0.06 0.00 0.00 0.00 0.00 36.38 32.40 3bb1 s VAL 252 CO 0.07 -0.71 0.08 1.51 0.00 0.00 0.00 175.10 176.05 3bb1 s ASP 253 N 2.59 4.11 0.34 3.32 -4.77 -1.26 0.23 116.67 121.23 3bb1 s ASP 253 Ca 0.05 -1.28 0.15 0.00 -3.30 0.00 0.00 52.55 48.16 3bb1 s ASP 253 Cb -0.26 -0.35 1.08 0.00 -1.09 0.00 0.00 42.92 42.30 3bb1 s ASP 253 CO 0.00 -0.53 1.67 0.07 0.70 0.00 0.00 175.17 177.09 3bb1 h LYS 254 N 1.59 0.34 -0.87 2.11 2.10 -1.98 0.50 116.57 120.37 3bb1 h LYS 254 Ca -0.43 -0.02 0.16 0.00 -2.00 0.00 0.00 60.65 58.36 3bb1 h LYS 254 Cb 1.25 -0.08 -0.10 0.00 -0.90 0.00 0.00 32.23 32.41 3bb1 h LYS 254 CO 0.76 0.22 0.44 -0.97 -2.00 0.00 0.00 179.45 177.91 3bb1 h ASN 255 N 0.35 0.51 0.51 7.07 -0.73 -1.97 0.10 115.58 121.43 3bb1 h ASN 255 Ca 0.72 0.10 -0.29 0.00 1.87 0.00 0.00 56.30 58.70 3bb1 h ASN 255 Cb 1.65 0.02 -0.02 0.00 0.27 0.00 0.00 38.32 40.24 3bb1 h ASN 255 CO -0.58 0.19 -1.53 0.25 -0.37 0.00 0.00 177.43 175.40 3bb1 h LEU 256 N 0.60 0.26 -0.23 0.34 5.85 -0.41 -3.26 115.31 118.46 3bb1 h LEU 256 Ca 0.49 -0.39 0.05 0.00 0.84 0.00 0.00 57.88 58.86 3bb1 h LEU 256 Cb 0.73 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.60 3bb1 h LEU 256 CO -0.39 1.33 -0.49 0.40 -0.34 0.00 0.00 178.44 178.95 3bb1 h ILE 257 N 0.05 0.06 0.00 4.05 1.08 -0.98 -3.44 117.51 118.33 3bb1 h ILE 257 Ca -0.23 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.24 3bb1 h ILE 257 Cb 1.98 0.06 0.00 0.00 -3.07 0.00 0.00 36.82 35.80 3bb1 h ILE 257 CO 0.14 0.00 0.00 0.47 -0.69 0.00 0.00 178.15 178.07