#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bb1 n VAL 8 N 0.00 -0.10 -0.35 2.28 0.31 -1.26 -4.26 118.33 114.95 3bb1 n VAL 8 Ca 0.00 0.54 -0.12 0.00 -0.01 0.00 0.00 64.34 64.75 3bb1 n VAL 8 Cb 0.00 -0.79 0.01 0.00 -0.91 0.00 0.00 33.84 32.15 3bb1 n VAL 8 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3bb1 n ARG 9 N -4.07 0.00 -2.19 5.55 1.74 -1.19 -3.43 116.66 113.08 3bb1 n ARG 9 Ca 0.06 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.76 3bb1 n ARG 9 Cb 0.20 -0.34 -0.01 0.00 -1.02 0.00 0.00 32.46 31.30 3bb1 n ARG 9 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3bb1 s GLY 10 N -0.34 2.83 -1.44 -0.13 0.00 -1.26 -0.25 107.32 106.74 3bb1 s GLY 10 Ca 0.14 1.03 -0.11 0.00 0.00 0.00 0.00 44.72 45.78 3bb1 s GLY 10 CO 0.28 1.52 2.31 1.87 0.00 0.00 0.00 173.10 179.07 3bb1 n TRP 11 N -0.32 3.08 -0.33 1.90 -0.00 -0.69 -4.73 117.44 116.35 3bb1 n TRP 11 Ca 0.06 -2.94 0.19 0.00 -0.00 0.00 0.00 57.50 54.82 3bb1 n TRP 11 Cb 0.47 -2.33 0.38 0.00 -0.00 0.00 0.00 31.31 29.83 3bb1 n TRP 11 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 177.69 178.46 3bb1 h SER 12 N 5.60 -0.09 0.02 5.87 0.02 -1.89 -2.99 113.55 120.09 3bb1 h SER 12 Ca 0.60 0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 61.80 3bb1 h SER 12 Cb 0.53 0.36 -0.00 0.00 0.14 0.00 0.00 62.40 63.43 3bb1 h SER 12 CO 1.77 -0.32 -0.01 1.23 -1.14 0.00 0.00 176.83 178.35 3bb1 h GLY 13 N 0.07 0.00 2.00 -3.77 0.00 -1.82 -0.80 103.07 98.76 3bb1 h GLY 13 Ca 0.66 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.98 3bb1 h GLY 13 CO -0.80 0.00 -0.09 1.19 0.00 0.00 0.00 176.54 176.84 3bb1 h ILE 14 N 0.00 0.26 0.00 2.60 2.10 -1.69 0.21 117.51 120.99 3bb1 h ILE 14 Ca -0.00 -0.71 0.00 0.00 1.08 0.00 0.00 64.86 65.23 3bb1 h ILE 14 Cb 0.03 1.56 0.00 0.00 -1.09 0.00 0.00 36.82 37.32 3bb1 h ILE 14 CO 0.00 0.09 0.00 0.59 -1.08 0.00 0.00 178.15 177.75 3bb1 n ASN 15 N -3.26 0.40 0.12 2.19 3.02 -0.30 -2.73 115.26 114.70 3bb1 n ASN 15 Ca 0.00 0.62 0.08 0.00 -0.03 0.00 0.00 54.58 55.25 3bb1 n ASN 15 Cb 0.33 -0.70 0.03 0.00 -0.61 0.00 0.00 39.78 38.83 3bb1 n ASN 15 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3bb1 h THR 16 N 0.00 0.20 -3.84 3.41 1.35 -0.72 -3.47 112.91 109.84 3bb1 h THR 16 Ca 0.00 -1.34 -0.47 0.00 -0.55 0.00 0.00 66.41 64.06 3bb1 h THR 16 Cb 0.25 1.83 0.17 0.00 -1.73 0.00 0.00 68.15 68.68 3bb1 h THR 16 CO 0.00 0.11 0.17 -0.36 -0.25 0.00 0.00 175.52 175.19 3bb1 s PHE 17 N -3.20 1.92 0.23 4.73 0.08 -1.11 -4.97 117.98 115.66 3bb1 s PHE 17 Ca 0.01 1.25 -0.30 0.00 0.12 0.00 0.00 56.93 58.02 3bb1 s PHE 17 Cb 0.08 -3.18 -0.09 0.00 -0.57 0.00 0.00 43.02 39.26 3bb1 s PHE 17 CO 0.76 -2.95 1.23 0.00 -0.10 0.00 0.00 175.22 174.16 3bb1 s ALA 18 N -2.77 3.47 0.29 5.36 0.00 -1.26 -4.77 121.76 122.07 3bb1 s ALA 18 Ca 0.66 1.04 0.01 0.00 0.00 0.00 0.00 51.96 53.66 3bb1 s ALA 18 Cb -0.21 -3.43 0.70 0.00 0.00 0.00 0.00 23.12 20.19 3bb1 s ALA 18 CO 0.59 -0.43 1.60 -1.35 0.00 0.00 0.00 175.76 176.18 3bb1 h PRO 19 N 4.76 0.07 -0.93 0.00 0.11 -1.94 0.54 132.00 134.61 3bb1 h PRO 19 Ca -0.46 -0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.78 3bb1 h PRO 19 Cb 1.22 -0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.23 3bb1 h PRO 19 CO 0.73 0.05 0.59 0.00 -0.21 0.00 0.00 178.00 179.16 3bb1 h ALA 20 N 1.88 1.70 0.00 -0.75 0.00 -1.99 -1.22 119.26 118.88 3bb1 h ALA 20 Ca 0.56 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 55.30 3bb1 h ALA 20 Cb 1.14 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3bb1 h ALA 20 CO -0.81 0.06 -1.04 1.15 0.00 0.00 0.00 179.25 178.62 3bb1 h THR 21 N 0.82 1.12 -0.40 0.00 2.02 -0.42 -2.26 112.91 113.79 3bb1 h THR 21 Ca 0.46 -2.71 -0.01 0.00 0.77 0.00 0.00 66.41 64.92 3bb1 h THR 21 Cb 0.61 2.52 -0.02 0.00 -1.74 0.00 0.00 68.15 69.51 3bb1 h THR 21 CO -0.23 0.64 0.21 1.56 0.37 0.00 0.00 175.52 178.07 3bb1 h GLN 22 N 0.00 0.57 -0.44 6.66 4.20 -0.19 -1.49 115.11 124.43 3bb1 h GLN 22 Ca -0.08 -0.08 -0.08 0.00 0.06 0.00 0.00 58.65 58.47 3bb1 h GLN 22 Cb 1.66 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 29.32 3bb1 h GLN 22 CO 0.09 0.49 -0.06 1.15 -0.67 0.00 0.00 178.83 179.83 3bb1 h THR 23 N 0.52 1.27 -0.95 -0.54 2.02 -1.29 0.24 112.91 114.18 3bb1 h THR 23 Ca 0.14 -1.14 -0.00 0.00 0.77 0.00 0.00 66.41 66.18 3bb1 h THR 23 Cb 0.09 1.11 -0.05 0.00 -1.74 0.00 0.00 68.15 67.57 3bb1 h THR 23 CO -0.02 0.39 0.59 0.11 0.37 0.00 0.00 175.52 176.96 3bb1 h LYS 24 N 0.65 1.28 -0.01 6.66 1.57 -1.28 -2.67 116.57 122.77 3bb1 h LYS 24 Ca 0.12 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3bb1 h LYS 24 Cb 0.57 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 3bb1 h LYS 24 CO 0.03 0.88 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.72 3bb1 h LEU 25 N 1.31 0.02 -0.98 2.94 3.38 -1.07 -2.64 115.31 118.27 3bb1 h LEU 25 Ca 0.34 -0.54 0.19 0.00 0.09 0.00 0.00 57.88 57.96 3bb1 h LEU 25 Cb -0.08 -0.01 -0.11 0.00 0.09 0.00 0.00 40.66 40.56 3bb1 h LEU 25 CO -0.07 0.56 0.58 -0.07 0.09 0.00 0.00 178.44 179.53 3bb1 h LEU 26 N -0.52 0.74 0.24 1.67 3.38 -0.88 0.42 115.31 120.37 3bb1 h LEU 26 Ca 0.00 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3bb1 h LEU 26 Cb 0.55 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3bb1 h LEU 26 CO 0.00 0.26 -0.21 -0.33 0.09 0.00 0.00 178.44 178.26 3bb1 h GLU 27 N 0.74 -0.42 -0.90 1.13 5.08 -1.51 -1.36 114.58 117.33 3bb1 h GLU 27 Ca 0.57 0.03 0.19 0.00 -1.00 0.00 0.00 59.36 59.14 3bb1 h GLU 27 Cb 0.87 0.10 -0.11 0.00 0.50 0.00 0.00 28.75 30.11 3bb1 h GLU 27 CO -0.39 -0.28 0.47 -0.07 -1.00 0.00 0.00 179.01 177.74 3bb1 h LEU 28 N -0.44 0.52 -2.22 1.33 3.38 -0.57 2.88 115.31 120.19 3bb1 h LEU 28 Ca -0.03 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3bb1 h LEU 28 Cb 0.37 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3bb1 h LEU 28 CO -0.01 0.15 -0.06 -0.07 0.09 0.00 0.00 178.44 178.54 3bb1 h LEU 29 N 0.57 0.00 0.22 1.67 4.07 -0.28 -2.03 115.31 119.53 3bb1 h LEU 29 Ca 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.48 3bb1 h LEU 29 Cb 0.88 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.62 3bb1 h LEU 29 CO -0.43 0.06 -0.10 1.23 -1.08 0.00 0.00 178.44 178.11 3bb1 h GLY 30 N 0.42 -0.30 2.00 0.83 0.00 0.62 -2.15 103.07 104.48 3bb1 h GLY 30 Ca -0.00 0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.44 3bb1 h GLY 30 CO 0.01 -0.11 -0.00 3.45 0.00 0.00 0.00 176.54 179.89 3bb1 h ASN 31 N -0.76 0.00 0.05 0.19 -0.00 -0.89 0.27 115.58 114.44 3bb1 h ASN 31 Ca -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.27 3bb1 h ASN 31 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.54 3bb1 h ASN 31 CO 0.05 0.00 -0.03 0.25 -0.00 0.00 0.00 177.43 177.70 3bb1 h LEU 32 N 0.00 -0.06 -1.24 6.14 6.46 -1.50 -3.31 115.31 121.79 3bb1 h LEU 32 Ca -0.00 -0.56 -0.07 0.00 -0.12 0.00 0.00 57.88 57.12 3bb1 h LEU 32 Cb 0.02 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 39.95 3bb1 h LEU 32 CO 0.00 0.57 -0.29 0.50 -0.62 0.00 0.00 178.44 178.60 3bb1 h LYS 33 N -0.74 0.14 0.01 1.25 3.64 0.08 -0.06 116.57 120.88 3bb1 h LYS 33 Ca -0.01 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 3bb1 h LYS 33 Cb 0.62 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 3bb1 h LYS 33 CO 0.01 0.43 -0.25 0.37 -2.27 0.00 0.00 179.45 177.74 3bb1 h GLN 34 N 0.13 -0.31 -2.06 1.90 4.15 -0.94 -3.34 115.11 114.64 3bb1 h GLN 34 Ca 0.02 0.02 -0.63 0.00 0.77 0.00 0.00 58.65 58.83 3bb1 h GLN 34 Cb 0.59 0.07 -0.39 0.00 0.21 0.00 0.00 27.48 27.95 3bb1 h GLN 34 CO 0.04 -0.20 -0.37 -0.85 -1.93 0.00 0.00 178.83 175.52 3bb1 n GLU 35 N -3.86 3.53 -3.60 1.69 0.28 -0.05 -4.38 120.64 114.24 3bb1 n GLU 35 Ca -0.04 -4.67 -0.29 0.00 -0.16 0.00 0.00 57.16 52.00 3bb1 n GLU 35 Cb 0.18 -2.27 -0.14 0.00 1.43 0.00 0.00 31.44 30.64 3bb1 n GLU 35 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 3bb1 s ASP 36 N -3.11 3.63 -0.02 -1.84 -1.08 -1.26 -5.03 116.67 107.96 3bb1 s ASP 36 Ca 0.48 -1.61 -0.18 0.00 -0.52 0.00 0.00 52.55 50.71 3bb1 s ASP 36 Cb 0.31 -0.56 -0.10 0.00 -1.46 0.00 0.00 42.92 41.11 3bb1 s ASP 36 CO -0.17 -0.40 0.80 0.58 0.52 0.00 0.00 175.17 176.49 3bb1 h VAL 37 N 6.17 0.00 -0.24 1.11 2.07 -1.64 -3.48 116.25 120.25 3bb1 h VAL 37 Ca -0.13 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 66.94 3bb1 h VAL 37 Cb 1.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3bb1 h VAL 37 CO 0.43 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.61 3bb1 n ASN 38 N -5.01 2.50 -4.19 0.57 3.02 -1.26 -4.89 115.26 106.00 3bb1 n ASN 38 Ca -0.08 -1.84 -0.11 0.00 -0.03 0.00 0.00 54.58 52.51 3bb1 n ASN 38 Cb 0.26 -0.15 -0.10 0.00 -0.61 0.00 0.00 39.78 39.18 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 -1.59 0.19 0.04 6.41 1.04 -1.26 -2.32 113.70 116.20 3bb1 s SER 39 Ca 0.35 -1.34 0.01 0.00 0.48 0.00 0.00 55.95 55.45 3bb1 s SER 39 Cb 0.20 0.36 -0.03 0.00 0.10 0.00 0.00 66.02 66.66 3bb1 s SER 39 CO 0.29 -0.82 -0.06 -0.76 0.98 0.00 0.00 173.24 172.88 3bb1 s LEU 40 N -3.13 2.29 -0.08 2.42 1.02 -1.10 -4.97 118.68 115.13 3bb1 s LEU 40 Ca 0.35 -0.60 0.04 0.00 0.02 0.00 0.00 54.13 53.94 3bb1 s LEU 40 Cb 0.07 -0.03 -0.00 0.00 0.02 0.00 0.00 46.19 46.25 3bb1 s LEU 40 CO 0.09 -0.29 -0.22 -0.89 0.02 0.00 0.00 176.35 175.06 3bb1 s THR 41 N -1.79 1.88 -0.14 5.49 2.01 -1.26 -2.11 115.64 119.72 3bb1 s THR 41 Ca -0.09 -0.93 -0.00 0.00 0.31 0.00 0.00 61.69 60.98 3bb1 s THR 41 Cb -0.07 -1.62 -0.01 0.00 0.01 0.00 0.00 72.50 70.80 3bb1 s THR 41 CO -0.01 0.52 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.67 3bb1 s ILE 42 N 0.24 2.93 -0.33 1.82 1.01 0.20 -1.68 121.20 125.39 3bb1 s ILE 42 Ca -0.14 -0.70 -0.11 0.00 0.00 0.00 0.00 60.65 59.71 3bb1 s ILE 42 Cb -0.16 -2.23 -0.01 0.00 0.01 0.00 0.00 42.46 40.07 3bb1 s ILE 42 CO 0.07 0.52 0.19 -0.22 0.00 0.00 0.00 174.94 175.49 3bb1 s LEU 43 N 0.50 4.31 -0.24 2.97 2.96 0.84 -0.43 118.68 129.58 3bb1 s LEU 43 Ca -0.09 -0.53 -0.10 0.00 -0.22 0.00 0.00 54.13 53.19 3bb1 s LEU 43 Cb -0.16 -2.05 -0.05 0.00 0.50 0.00 0.00 46.19 44.43 3bb1 s LEU 43 CO 0.04 -0.23 0.15 -0.69 -1.32 0.00 0.00 176.35 174.31 3bb1 s VAL 44 N 1.65 5.28 0.01 1.68 1.01 -0.36 -0.52 120.40 129.15 3bb1 s VAL 44 Ca 0.05 0.15 -0.14 0.00 0.00 0.00 0.00 61.98 62.04 3bb1 s VAL 44 Cb -0.17 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.76 3bb1 s VAL 44 CO 0.08 0.34 0.30 -0.04 0.00 0.00 0.00 175.10 175.78 3bb1 s MET 45 N 1.12 0.72 0.00 2.72 -1.94 -0.04 -3.80 119.30 118.08 3bb1 s MET 45 Ca 0.07 -0.32 0.00 0.00 -1.71 0.00 0.00 55.69 53.74 3bb1 s MET 45 Cb -0.14 0.31 0.00 0.00 2.01 0.00 0.00 34.83 37.02 3bb1 s MET 45 CO 0.05 -0.21 0.00 0.41 -0.01 0.00 0.00 175.02 175.26 3bb1 n GLY 46 N 1.01 -0.87 3.64 -0.03 0.00 -1.26 -0.88 105.19 106.80 3bb1 n GLY 46 Ca -0.20 -1.18 -0.30 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.00 -0.73 0.30 1.61 1.02 -1.26 -2.21 119.74 116.47 3bb1 s LYS 47 Ca 0.00 0.03 -0.29 0.00 0.02 0.00 0.00 55.97 55.73 3bb1 s LYS 47 Cb 0.00 -1.65 -0.09 0.00 -0.52 0.00 0.00 37.83 35.57 3bb1 s LYS 47 CO 0.00 -3.40 1.11 0.20 -0.92 0.00 0.00 175.35 172.34 3bb1 s GLY 48 N -3.88 3.02 -0.58 -3.33 0.00 -1.26 -3.98 107.32 97.32 3bb1 s GLY 48 Ca 0.70 0.90 0.00 0.00 0.00 0.00 0.00 44.72 46.32 3bb1 s GLY 48 CO 0.56 1.49 0.00 0.61 0.00 0.00 0.00 173.10 175.76 3bb1 n GLY 49 N 1.06 0.80 0.29 0.20 0.00 -1.26 -4.89 105.19 101.40 3bb1 n GLY 49 Ca -0.00 -0.68 0.12 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.81 0.00 0.00 1.61 0.24 -1.26 -4.95 118.33 111.17 3bb1 n VAL 50 Ca -0.05 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 3bb1 n VAL 50 Cb 0.20 0.80 0.00 0.00 -1.47 0.00 0.00 33.84 33.37 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 1.41 1.36 0.50 7.63 0.00 -1.26 -4.34 105.19 110.48 3bb1 n GLY 51 Ca 0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.21 -0.47 1.61 1.57 -1.92 -2.57 116.57 113.58 3bb1 h LYS 52 Ca 0.00 0.08 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 3bb1 h LYS 52 Cb 0.00 0.28 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 3bb1 h LYS 52 CO 0.00 -0.81 0.31 0.77 -0.57 0.00 0.00 179.45 179.15 3bb1 h SER 53 N -1.26 0.43 -0.55 0.86 0.02 -1.92 0.11 113.55 111.24 3bb1 h SER 53 Ca -0.13 -0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.74 3bb1 h SER 53 Cb 0.97 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.39 3bb1 h SER 53 CO 0.21 0.29 0.04 0.28 -1.14 0.00 0.00 176.83 176.51 3bb1 h SER 54 N 0.49 0.92 0.03 3.07 0.02 -1.90 -1.18 113.55 115.00 3bb1 h SER 54 Ca 0.19 -0.29 -0.11 0.00 -0.84 0.00 0.00 61.79 60.75 3bb1 h SER 54 Cb 0.15 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3bb1 h SER 54 CO -0.05 0.97 -0.32 0.74 -1.14 0.00 0.00 176.83 177.03 3bb1 h THR 55 N 0.83 1.28 -0.16 -2.27 2.02 -0.41 0.41 112.91 114.61 3bb1 h THR 55 Ca 0.16 -1.39 0.01 0.00 0.77 0.00 0.00 66.41 65.96 3bb1 h THR 55 Cb 0.48 1.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 3bb1 h THR 55 CO 0.02 0.43 0.07 0.58 0.37 0.00 0.00 175.52 176.99 3bb1 h VAL 56 N 0.37 0.98 -0.61 3.16 2.07 -0.86 -2.56 116.25 118.80 3bb1 h VAL 56 Ca 0.05 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3bb1 h VAL 56 Cb 0.75 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 3bb1 h VAL 56 CO 0.06 0.03 0.35 0.78 0.02 0.00 0.00 177.57 178.81 3bb1 h ASN 57 N 0.15 0.74 0.36 0.57 2.35 -0.20 -1.28 115.58 118.28 3bb1 h ASN 57 Ca 0.07 -0.08 -0.17 0.00 -0.55 0.00 0.00 56.30 55.57 3bb1 h ASN 57 Cb 0.03 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 3bb1 h ASN 57 CO -0.06 0.61 -0.69 0.77 -1.65 0.00 0.00 177.43 176.40 3bb1 h SER 58 N 0.82 0.35 -0.76 5.81 4.64 -0.90 0.49 113.55 123.99 3bb1 h SER 58 Ca 0.22 -0.22 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 3bb1 h SER 58 Cb 0.01 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 61.97 3bb1 h SER 58 CO -0.04 0.93 0.36 0.40 -0.87 0.00 0.00 176.83 177.62 3bb1 h ILE 59 N 0.20 1.25 0.00 0.95 1.08 -1.27 -2.97 117.51 116.75 3bb1 h ILE 59 Ca -0.02 -0.70 0.00 0.00 -0.39 0.00 0.00 64.86 63.75 3bb1 h ILE 59 Cb 1.24 0.29 0.00 0.00 -3.07 0.00 0.00 36.82 35.29 3bb1 h ILE 59 CO 0.11 0.29 -0.06 0.40 -0.69 0.00 0.00 178.15 178.20 3bb1 h ILE 60 N 1.08 0.00 0.00 -0.67 1.08 -0.77 -3.47 117.51 114.75 3bb1 h ILE 60 Ca 0.26 -0.75 0.00 0.00 -0.39 0.00 0.00 64.86 63.99 3bb1 h ILE 60 Cb 0.13 1.71 0.00 0.00 -3.07 0.00 0.00 36.82 35.59 3bb1 h ILE 60 CO -0.03 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.04 3bb1 n GLY 61 N 1.21 0.51 3.56 5.37 0.00 0.12 -3.75 105.19 112.21 3bb1 n GLY 61 Ca 0.05 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 3bb1 n GLY 61 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3bb1 s GLU 62 N -0.04 0.69 -1.03 1.61 -1.05 -0.96 -4.61 118.70 113.31 3bb1 s GLU 62 Ca 0.00 0.14 -0.23 0.00 -0.15 0.00 0.00 54.97 54.73 3bb1 s GLU 62 Cb 0.00 0.32 -0.01 0.00 -0.44 0.00 0.00 34.13 34.00 3bb1 s GLU 62 CO 0.00 -0.22 1.77 1.03 0.95 0.00 0.00 175.26 178.79 3bb1 s ARG 63 N -1.25 3.03 -0.26 -4.83 0.52 -1.26 -4.57 118.95 110.34 3bb1 s ARG 63 Ca -0.03 -0.90 -0.14 0.00 -0.52 0.00 0.00 55.73 54.14 3bb1 s ARG 63 Cb -0.00 -5.24 -0.15 0.00 0.52 0.00 0.00 34.95 30.08 3bb1 s ARG 63 CO 0.02 -2.99 -0.19 1.33 0.02 0.00 0.00 175.30 173.50 3bb1 n VAL 64 N 7.39 1.54 -2.94 3.52 0.24 -1.26 -4.88 118.33 121.92 3bb1 n VAL 64 Ca 0.40 -0.33 -0.36 0.00 -2.04 0.00 0.00 64.34 62.01 3bb1 n VAL 64 Cb 0.48 -1.88 -0.06 0.00 -1.47 0.00 0.00 33.84 30.91 3bb1 n VAL 64 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 3bb1 s VAL 65 N -2.48 4.40 0.59 3.34 -7.23 -1.26 -5.05 120.40 112.72 3bb1 s VAL 65 Ca -0.36 1.54 -0.16 0.00 -1.81 0.00 0.00 61.98 61.19 3bb1 s VAL 65 Cb 0.12 -3.92 -0.03 0.00 0.56 0.00 0.00 36.38 33.11 3bb1 s VAL 65 CO 0.53 0.15 1.07 -0.94 -0.31 0.00 0.00 175.10 175.61 3bb1 s SER 66 N -1.66 5.71 -0.41 4.85 1.04 -1.26 -4.93 113.70 117.03 3bb1 s SER 66 Ca 0.47 1.88 0.09 0.00 0.48 0.00 0.00 55.95 58.87 3bb1 s SER 66 Cb -0.17 -2.54 0.34 0.00 0.10 0.00 0.00 66.02 63.74 3bb1 s SER 66 CO 0.22 -1.22 0.89 2.30 0.98 0.00 0.00 173.24 176.41 3bb1 n ILE 67 N -1.97 -0.10 -1.47 -1.02 -6.64 -1.26 -4.89 119.36 102.01 3bb1 n ILE 67 Ca 0.09 -3.27 -0.49 0.00 -1.77 0.00 0.00 62.75 57.31 3bb1 n ILE 67 Cb 0.53 0.48 -0.04 0.00 -1.44 0.00 0.00 39.64 39.17 3bb1 n ILE 67 CO 0.00 0.00 0.00 -0.24 -1.77 0.00 0.00 176.55 174.54 3bb1 n SER 68 N 0.32 -0.31 -1.48 7.28 2.88 -1.26 -4.93 113.62 116.13 3bb1 n SER 68 Ca 0.17 1.14 0.10 0.00 -1.33 0.00 0.00 58.87 58.95 3bb1 n SER 68 Cb 0.68 -1.04 0.34 0.00 -0.75 0.00 0.00 64.21 63.43 3bb1 n SER 68 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3bb1 n PRO 69 N 1.12 3.34 0.00 -1.46 -0.04 -1.26 -4.62 135.00 132.08 3bb1 n PRO 69 Ca 0.16 -2.68 0.00 0.00 -0.04 0.00 0.00 63.50 60.95 3bb1 n PRO 69 Cb 0.24 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 31.92 3bb1 n PRO 69 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3bb1 n PHE 70 N 1.22 0.00 -3.72 0.54 3.72 -1.26 -5.13 117.46 112.83 3bb1 n PHE 70 Ca 0.24 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.60 3bb1 n PHE 70 Cb 0.78 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.31 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 -1.85 0.21 -0.06 -1.08 10.64 -1.26 -5.16 117.38 118.82 3bb1 n GLN 71 Ca 0.00 -0.84 -0.02 0.00 -1.83 0.00 0.00 57.00 54.32 3bb1 n GLN 71 Cb 0.43 0.80 -0.01 0.00 -0.86 0.00 0.00 30.24 30.60 3bb1 n GLN 71 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 3bb1 h SER 72 N 0.59 0.00 0.00 2.61 0.87 -2.00 -3.43 113.55 112.19 3bb1 h SER 72 Ca -0.08 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.17 3bb1 h SER 72 Cb 0.35 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.26 3bb1 h SER 72 CO 0.11 0.57 -2.17 1.21 -0.53 0.00 0.00 176.83 176.02 3bb1 n GLU 73 N -4.60 1.08 0.00 2.24 2.13 -1.26 -4.91 120.64 115.32 3bb1 n GLU 73 Ca -0.03 0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3bb1 n GLU 73 Cb 0.10 -1.43 0.00 0.00 0.27 0.00 0.00 31.44 30.38 3bb1 n GLU 73 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3bb1 n GLY 74 N 2.09 0.00 0.00 8.31 0.00 -1.26 -4.91 105.19 109.42 3bb1 n GLY 74 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3bb1 n GLY 74 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3bb1 n PRO 75 N 0.00 0.00 -3.98 1.61 -0.02 -1.26 -5.14 135.00 126.22 3bb1 n PRO 75 Ca 0.00 0.23 -0.23 0.00 -2.02 0.00 0.00 63.50 61.48 3bb1 n PRO 75 Cb 0.00 -0.47 -0.03 0.00 -0.02 0.00 0.00 33.50 32.98 3bb1 n PRO 75 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3bb1 s ARG 76 N -0.98 3.38 0.66 -0.52 3.03 -1.26 -4.52 118.95 118.74 3bb1 s ARG 76 Ca 0.00 -0.72 -0.17 0.00 2.03 0.00 0.00 55.73 56.87 3bb1 s ARG 76 Cb 0.00 -2.89 0.00 0.00 -1.03 0.00 0.00 34.95 31.04 3bb1 s ARG 76 CO 0.00 0.47 1.20 -2.14 -1.13 0.00 0.00 175.30 173.70 3bb1 s PRO 77 N -3.62 2.56 -0.04 3.89 0.02 -1.26 -4.78 135.00 131.77 3bb1 s PRO 77 Ca 0.34 1.77 -0.05 0.00 0.02 0.00 0.00 61.00 63.08 3bb1 s PRO 77 Cb -0.10 -1.88 0.01 0.00 0.02 0.00 0.00 34.50 32.55 3bb1 s PRO 77 CO 0.28 -1.51 0.13 0.14 -0.33 0.00 0.00 177.00 175.70 3bb1 s VAL 78 N -1.82 0.02 -0.16 3.83 -7.23 -0.65 -4.99 120.40 109.39 3bb1 s VAL 78 Ca 0.75 -0.17 -0.04 0.00 -1.81 0.00 0.00 61.98 60.71 3bb1 s VAL 78 Cb -0.29 -0.24 -0.03 0.00 0.56 0.00 0.00 36.38 36.38 3bb1 s VAL 78 CO 0.40 -0.10 -0.03 -0.32 -0.31 0.00 0.00 175.10 174.74 3bb1 s MET 79 N -0.28 3.67 -0.17 4.82 1.75 -1.26 -0.68 119.30 127.15 3bb1 s MET 79 Ca -0.04 -0.52 -0.03 0.00 -1.25 0.00 0.00 55.69 53.86 3bb1 s MET 79 Cb -0.03 -2.95 -0.02 0.00 2.84 0.00 0.00 34.83 34.68 3bb1 s MET 79 CO 0.00 0.20 -0.07 0.08 -0.65 0.00 0.00 175.02 174.59 3bb1 s VAL 80 N 0.47 3.47 -0.17 10.11 1.01 0.11 -4.83 120.40 130.57 3bb1 s VAL 80 Ca -0.03 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.46 3bb1 s VAL 80 Cb -0.14 -2.52 0.03 0.00 0.00 0.00 0.00 36.38 33.75 3bb1 s VAL 80 CO 0.03 0.48 -0.10 -0.44 0.00 0.00 0.00 175.10 175.06 3bb1 s SER 81 N 0.71 2.94 0.02 3.32 0.01 -1.26 -0.95 113.70 118.48 3bb1 s SER 81 Ca -0.03 -0.66 0.08 0.00 1.31 0.00 0.00 55.95 56.65 3bb1 s SER 81 Cb -0.15 -1.11 -0.02 0.00 0.21 0.00 0.00 66.02 64.95 3bb1 s SER 81 CO 0.02 -0.12 -0.23 -0.13 0.41 0.00 0.00 173.24 173.18 3bb1 s ARG 82 N 1.50 1.70 0.23 12.44 1.81 -0.16 -3.15 118.95 133.33 3bb1 s ARG 82 Ca 0.02 -0.95 0.07 0.00 -1.72 0.00 0.00 55.73 53.15 3bb1 s ARG 82 Cb -0.15 -1.77 -0.04 0.00 -0.45 0.00 0.00 34.95 32.55 3bb1 s ARG 82 CO -0.09 0.47 0.13 -1.54 -0.68 0.00 0.00 175.30 173.59 3bb1 s SER 83 N -0.94 5.27 -0.30 0.23 1.04 0.66 -0.15 113.70 119.51 3bb1 s SER 83 Ca 0.09 -0.32 -0.16 0.00 0.48 0.00 0.00 55.95 56.04 3bb1 s SER 83 Cb -0.09 -1.27 0.19 0.00 0.10 0.00 0.00 66.02 64.95 3bb1 s SER 83 CO 0.01 -0.00 1.16 -0.60 0.98 0.00 0.00 173.24 174.79 3bb1 s ARG 84 N -3.61 0.16 -1.33 4.02 6.06 0.45 -1.70 118.95 122.99 3bb1 s ARG 84 Ca 0.32 0.27 -0.07 0.00 -2.50 0.00 0.00 55.73 53.75 3bb1 s ARG 84 Cb -0.08 0.03 0.04 0.00 0.06 0.00 0.00 34.95 35.01 3bb1 s ARG 84 CO 0.23 -0.03 0.45 0.00 -2.50 0.00 0.00 175.30 173.45 3bb1 n ALA 85 N 3.31 -1.00 0.00 6.12 0.00 -1.26 0.12 120.51 127.80 3bb1 n ALA 85 Ca -0.18 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3bb1 n ALA 85 Cb 0.57 -2.91 0.00 0.00 0.00 0.00 0.00 19.45 17.11 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 -1.22 2.88 3.79 0.00 0.00 -1.26 -5.01 105.19 104.37 3bb1 n GLY 86 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.03 3.81 -0.08 1.61 5.36 0.12 -4.87 117.98 121.89 3bb1 s PHE 87 Ca 0.00 1.37 0.01 0.00 -0.96 0.00 0.00 56.93 57.35 3bb1 s PHE 87 Cb 0.00 -2.62 -0.03 0.00 -0.34 0.00 0.00 43.02 40.04 3bb1 s PHE 87 CO 0.00 0.50 -0.09 0.99 -1.46 0.00 0.00 175.22 175.16 3bb1 s THR 88 N -0.86 3.49 -0.16 0.12 2.01 -0.98 -0.41 115.64 118.85 3bb1 s THR 88 Ca 0.32 -0.54 -0.07 0.00 0.31 0.00 0.00 61.69 61.70 3bb1 s THR 88 Cb -0.20 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.83 3bb1 s THR 88 CO 0.21 0.57 0.08 -0.22 -0.69 0.00 0.00 174.62 174.58 3bb1 s LEU 89 N -0.47 3.99 -0.27 4.42 2.96 0.79 -2.70 118.68 127.41 3bb1 s LEU 89 Ca 0.07 0.21 0.03 0.00 -0.22 0.00 0.00 54.13 54.21 3bb1 s LEU 89 Cb -0.12 -1.99 0.07 0.00 0.50 0.00 0.00 46.19 44.64 3bb1 s LEU 89 CO 0.02 0.26 -0.08 0.20 -1.32 0.00 0.00 176.35 175.43 3bb1 s ASN 90 N -0.13 4.40 -0.23 3.68 0.01 -0.90 -0.99 114.94 120.78 3bb1 s ASN 90 Ca 0.08 -1.47 -0.12 0.00 -0.71 0.00 0.00 52.86 50.64 3bb1 s ASN 90 Cb -0.12 -1.50 -0.05 0.00 0.41 0.00 0.00 41.25 40.00 3bb1 s ASN 90 CO 0.01 -0.22 0.22 -0.63 -1.51 0.00 0.00 177.10 174.97 3bb1 s ILE 91 N 1.12 5.31 -0.29 0.60 -1.09 -0.13 -0.63 121.20 126.10 3bb1 s ILE 91 Ca -0.06 0.32 -0.11 0.00 -2.23 0.00 0.00 60.65 58.57 3bb1 s ILE 91 Cb -0.20 -3.56 -0.04 0.00 -1.58 0.00 0.00 42.46 37.08 3bb1 s ILE 91 CO -0.06 0.31 0.19 -0.63 -1.23 0.00 0.00 174.94 173.52 3bb1 s ILE 92 N 1.19 5.17 0.03 2.92 1.01 0.42 0.06 121.20 132.00 3bb1 s ILE 92 Ca 0.10 0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.78 3bb1 s ILE 92 Cb -0.14 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 3bb1 s ILE 92 CO 0.06 0.19 0.11 -0.62 0.00 0.00 0.00 174.94 174.69 3bb1 s ASP 93 N 1.73 5.84 0.01 3.58 2.15 0.15 -1.22 116.67 128.90 3bb1 s ASP 93 Ca 0.07 0.15 -0.11 0.00 0.43 0.00 0.00 52.55 53.09 3bb1 s ASP 93 Cb -0.16 -1.69 0.01 0.00 -0.30 0.00 0.00 42.92 40.78 3bb1 s ASP 93 CO 0.10 0.23 0.21 0.42 -0.17 0.00 0.00 175.17 175.96 3bb1 s THR 94 N -1.32 0.08 0.91 1.71 -4.23 -1.25 -1.64 115.64 109.90 3bb1 s THR 94 Ca 0.27 -0.66 -0.12 0.00 -1.18 0.00 0.00 61.69 60.01 3bb1 s THR 94 Cb -0.12 -0.60 0.13 0.00 1.34 0.00 0.00 72.50 73.25 3bb1 s THR 94 CO 0.19 -0.36 1.09 -2.84 -0.54 0.00 0.00 174.62 172.16 3bb1 s PRO 95 N -1.62 1.17 0.24 3.99 0.02 -1.26 -4.90 135.00 132.63 3bb1 s PRO 95 Ca -0.12 0.84 -0.30 0.00 0.02 0.00 0.00 61.00 61.43 3bb1 s PRO 95 Cb -0.05 -1.80 -0.10 0.00 0.02 0.00 0.00 34.50 32.57 3bb1 s PRO 95 CO 0.01 -2.30 1.48 0.20 -0.33 0.00 0.00 177.00 176.06 3bb1 s GLY 96 N -3.37 2.16 0.11 0.52 0.00 -1.26 -4.75 107.32 100.73 3bb1 s GLY 96 Ca 0.64 1.36 0.26 0.00 0.00 0.00 0.00 44.72 46.97 3bb1 s GLY 96 CO 0.57 2.37 1.80 1.04 0.00 0.00 0.00 173.10 178.88 3bb1 n LEU 97 N 2.62 0.41 -4.59 0.66 4.77 -0.94 -4.74 117.00 115.18 3bb1 n LEU 97 Ca 0.08 0.55 -0.32 0.00 -0.03 0.00 0.00 56.01 56.29 3bb1 n LEU 97 Cb 0.40 -0.43 -0.10 0.00 -2.33 0.00 0.00 43.42 40.95 3bb1 n LEU 97 CO 0.61 -0.15 -0.39 -0.63 -1.33 0.00 0.00 177.39 175.50 3bb1 s ILE 98 N -3.07 3.63 -0.29 -0.08 -1.09 -1.26 0.56 121.20 119.59 3bb1 s ILE 98 Ca 0.11 -0.80 -0.19 0.00 -2.23 0.00 0.00 60.65 57.54 3bb1 s ILE 98 Cb 0.14 -2.58 0.15 0.00 -1.58 0.00 0.00 42.46 38.60 3bb1 s ILE 98 CO 0.52 0.38 1.07 -0.70 -1.23 0.00 0.00 174.94 174.98 3bb1 s GLU 99 N -1.45 0.34 2.73 2.79 2.56 -0.38 -4.36 118.70 120.93 3bb1 s GLU 99 Ca 0.17 0.52 0.00 0.00 0.00 0.00 0.00 54.97 55.66 3bb1 s GLU 99 Cb -0.11 0.10 0.00 0.00 2.00 0.00 0.00 34.13 36.12 3bb1 s GLU 99 CO 0.08 -0.06 0.00 0.41 -0.56 0.00 0.00 175.26 175.13 3bb1 n GLY 100 N 3.07 0.92 2.61 -1.50 0.00 -1.26 -2.30 105.19 106.73 3bb1 n GLY 100 Ca -0.16 -0.75 -0.37 0.00 0.00 0.00 0.00 46.02 44.73 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 5.71 3.34 -0.02 0.00 -1.26 -4.96 105.19 108.00 3bb1 n GLY 101 Ca 0.00 -2.39 -0.18 0.00 0.00 0.00 0.00 46.02 43.45 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 -3.95 1.60 0.47 1.61 2.02 -0.97 -4.99 117.35 113.14 3bb1 s TYR 102 Ca 0.59 -1.27 -0.22 0.00 -0.37 0.00 0.00 57.07 55.79 3bb1 s TYR 102 Cb 0.48 -0.91 -0.08 0.00 -0.40 0.00 0.00 41.96 41.05 3bb1 s TYR 102 CO -0.21 -0.41 1.10 0.42 -1.57 0.00 0.00 175.55 174.88 3bb1 s ILE 103 N -3.63 3.42 -1.01 2.71 -1.09 -1.26 -1.24 121.20 119.10 3bb1 s ILE 103 Ca 0.36 0.99 -0.16 0.00 -2.23 0.00 0.00 60.65 59.61 3bb1 s ILE 103 Cb 0.06 -3.47 0.16 0.00 -1.58 0.00 0.00 42.46 37.63 3bb1 s ILE 103 CO 0.16 -0.09 1.18 0.21 -1.23 0.00 0.00 174.94 175.18 3bb1 s ASN 104 N -1.63 6.80 0.14 3.58 3.04 0.19 -4.72 114.94 122.35 3bb1 s ASN 104 Ca 0.65 -2.45 -0.20 0.00 0.04 0.00 0.00 52.86 50.90 3bb1 s ASN 104 Cb -0.23 -2.37 0.01 0.00 -1.54 0.00 0.00 41.25 37.12 3bb1 s ASN 104 CO 0.28 -0.89 1.68 0.44 -3.04 0.00 0.00 177.10 175.57 3bb1 h ASP 105 N 8.15 -0.34 -0.74 -4.21 3.32 -1.92 0.25 116.42 120.93 3bb1 h ASP 105 Ca 0.20 0.09 0.10 0.00 0.02 0.00 0.00 57.03 57.44 3bb1 h ASP 105 Cb 0.97 0.20 -0.07 0.00 0.22 0.00 0.00 39.33 40.65 3bb1 h ASP 105 CO 1.11 -0.13 0.38 -0.03 -1.72 0.00 0.00 179.24 178.86 3bb1 h MET 106 N -0.06 0.62 -0.41 3.56 1.85 -1.99 0.31 114.93 118.81 3bb1 h MET 106 Ca 0.13 -0.04 -0.04 0.00 -0.61 0.00 0.00 59.70 59.14 3bb1 h MET 106 Cb 0.25 -0.14 -0.02 0.00 0.43 0.00 0.00 31.60 32.12 3bb1 h MET 106 CO -0.29 0.41 0.10 0.00 -0.40 0.00 0.00 176.91 176.73 3bb1 h ALA 107 N 1.44 0.54 -0.83 0.39 0.00 -1.62 -1.18 119.26 118.01 3bb1 h ALA 107 Ca 0.37 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.10 3bb1 h ALA 107 Cb 0.39 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3bb1 h ALA 107 CO -0.27 0.23 0.54 1.25 0.00 0.00 0.00 179.25 181.00 3bb1 h LEU 108 N 0.53 0.93 0.14 0.00 5.85 0.11 0.54 115.31 123.41 3bb1 h LEU 108 Ca 0.13 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3bb1 h LEU 108 Cb 0.32 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.13 3bb1 h LEU 108 CO 0.00 0.66 -0.07 0.78 -0.34 0.00 0.00 178.44 179.48 3bb1 h ASN 109 N 1.09 -0.16 -0.37 1.25 2.35 -0.28 0.12 115.58 119.58 3bb1 h ASN 109 Ca 0.31 -0.16 0.07 0.00 -0.55 0.00 0.00 56.30 55.97 3bb1 h ASN 109 Cb -0.08 0.04 -0.06 0.00 0.05 0.00 0.00 38.32 38.27 3bb1 h ASN 109 CO -0.08 0.07 0.01 0.40 -1.65 0.00 0.00 177.43 176.17 3bb1 h ILE 110 N -0.39 0.73 -0.08 2.81 2.04 -1.02 -0.39 117.51 121.21 3bb1 h ILE 110 Ca -0.02 -0.04 0.04 0.00 1.00 0.00 0.00 64.86 65.85 3bb1 h ILE 110 Cb 0.31 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 36.94 3bb1 h ILE 110 CO 0.03 0.02 -0.28 0.40 0.00 0.00 0.00 178.15 178.32 3bb1 h ILE 111 N 0.11 0.35 -0.14 -0.67 2.04 -0.54 -2.54 117.51 116.12 3bb1 h ILE 111 Ca 0.18 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.08 3bb1 h ILE 111 Cb 0.25 0.35 -0.07 0.00 -0.74 0.00 0.00 36.82 36.62 3bb1 h ILE 111 CO -0.30 0.00 -0.48 0.11 0.00 0.00 0.00 178.15 177.48 3bb1 h LYS 112 N -0.38 -0.52 -0.83 2.37 1.57 -0.15 -0.97 116.57 117.66 3bb1 h LYS 112 Ca 0.09 0.04 0.15 0.00 -1.87 0.00 0.00 60.65 59.05 3bb1 h LYS 112 Cb 0.51 0.12 -0.15 0.00 0.08 0.00 0.00 32.23 32.79 3bb1 h LYS 112 CO -0.30 -0.35 -0.27 0.43 -0.57 0.00 0.00 179.45 178.40 3bb1 n SER 113 N -5.44 -0.42 0.12 0.86 7.64 -0.21 -1.08 113.62 115.09 3bb1 n SER 113 Ca -0.05 1.44 0.01 0.00 1.01 0.00 0.00 58.87 61.28 3bb1 n SER 113 Cb 0.37 -0.38 0.33 0.00 -1.01 0.00 0.00 64.21 63.52 3bb1 n SER 113 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 3bb1 h PHE 114 N 0.00 0.23 -0.04 1.43 3.04 -0.77 -1.96 116.94 118.88 3bb1 h PHE 114 Ca 0.34 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.25 3bb1 h PHE 114 Cb 0.55 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 39.00 3bb1 h PHE 114 CO -0.69 0.45 0.00 1.28 -2.02 0.00 0.00 178.31 177.34 3bb1 n LEU 115 N -4.17 0.31 -4.69 0.59 7.99 -0.24 -4.80 117.00 111.99 3bb1 n LEU 115 Ca -0.01 -0.13 -0.42 0.00 -0.01 0.00 0.00 56.01 55.43 3bb1 n LEU 115 Cb 0.35 -0.02 -0.03 0.00 -0.11 0.00 0.00 43.42 43.61 3bb1 n LEU 115 CO 0.39 0.07 1.04 -0.22 -1.51 0.00 0.00 177.39 177.16 3bb1 s LEU 116 N -1.46 4.30 0.00 2.23 2.96 -0.74 -0.85 118.68 125.12 3bb1 s LEU 116 Ca 0.24 1.98 0.00 0.00 -0.22 0.00 0.00 54.13 56.13 3bb1 s LEU 116 Cb 0.11 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.24 3bb1 s LEU 116 CO 0.18 -0.65 0.00 0.47 -1.32 0.00 0.00 176.35 175.03 3bb1 n ASP 117 N 5.22 -1.66 -4.74 3.68 8.00 0.10 -5.02 116.55 122.14 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 0.45 -1.20 0.09 0.00 -0.02 0.00 0.00 41.12 40.44 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 -0.52 1.84 -0.08 -1.24 1.02 -0.03 -4.86 119.74 115.87 3bb1 s LYS 118 Ca 0.00 -0.48 0.01 0.00 0.02 0.00 0.00 55.97 55.52 3bb1 s LYS 118 Cb 0.00 -2.16 0.02 0.00 -0.52 0.00 0.00 37.83 35.17 3bb1 s LYS 118 CO 0.00 -1.46 -0.07 0.99 -0.92 0.00 0.00 175.35 173.89 3bb1 s THR 119 N -3.31 0.86 -0.34 2.17 2.01 -1.26 -0.82 115.64 114.94 3bb1 s THR 119 Ca 0.64 -0.25 -0.14 0.00 0.31 0.00 0.00 61.69 62.25 3bb1 s THR 119 Cb -0.08 -0.86 -0.01 0.00 0.01 0.00 0.00 72.50 71.55 3bb1 s THR 119 CO 0.46 0.32 0.28 -0.63 -0.69 0.00 0.00 174.62 174.36 3bb1 s ILE 120 N 1.26 5.25 -0.10 1.82 1.01 -1.10 -4.45 121.20 124.88 3bb1 s ILE 120 Ca -0.04 -0.15 0.08 0.00 0.00 0.00 0.00 60.65 60.55 3bb1 s ILE 120 Cb -0.14 -3.76 -0.24 0.00 0.01 0.00 0.00 42.46 38.34 3bb1 s ILE 120 CO -0.02 -0.05 0.44 0.47 0.00 0.00 0.00 174.94 175.78 3bb1 n ASP 121 N 5.20 1.08 -3.75 3.58 8.00 -0.68 -2.01 116.55 127.97 3bb1 n ASP 121 Ca -0.11 0.27 -0.12 0.00 0.71 0.00 0.00 54.79 55.53 3bb1 n ASP 121 Cb 0.49 -0.09 -0.12 0.00 -0.02 0.00 0.00 41.12 41.38 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 -2.57 -0.02 -0.29 2.53 1.01 -0.81 -4.66 120.40 115.59 3bb1 s VAL 122 Ca -0.11 0.09 -0.09 0.00 0.00 0.00 0.00 61.98 61.87 3bb1 s VAL 122 Cb 0.07 -0.37 -0.01 0.00 0.00 0.00 0.00 36.38 36.07 3bb1 s VAL 122 CO 0.80 0.04 0.12 -0.22 0.00 0.00 0.00 175.10 175.84 3bb1 s LEU 123 N 0.80 3.88 -0.51 3.92 2.96 -0.72 -0.12 118.68 128.89 3bb1 s LEU 123 Ca -0.06 -0.44 -0.18 0.00 -0.22 0.00 0.00 54.13 53.24 3bb1 s LEU 123 Cb -0.07 -1.97 0.07 0.00 0.50 0.00 0.00 46.19 44.72 3bb1 s LEU 123 CO -0.05 -0.14 0.58 -0.22 -1.32 0.00 0.00 176.35 175.20 3bb1 s LEU 124 N 1.60 5.19 -0.57 -0.68 2.96 0.32 -0.79 118.68 126.72 3bb1 s LEU 124 Ca 0.05 -1.09 -0.22 0.00 -0.22 0.00 0.00 54.13 52.66 3bb1 s LEU 124 Cb -0.16 -2.37 0.06 0.00 0.50 0.00 0.00 46.19 44.22 3bb1 s LEU 124 CO 0.05 -0.86 0.83 -0.47 -1.32 0.00 0.00 176.35 174.58 3bb1 s TYR 125 N 2.39 2.86 0.23 5.38 6.14 -0.29 -0.86 117.35 133.20 3bb1 s TYR 125 Ca 0.12 -0.39 0.01 0.00 0.64 0.00 0.00 57.07 57.45 3bb1 s TYR 125 Cb -0.21 -3.96 -0.04 0.00 0.42 0.00 0.00 41.96 38.17 3bb1 s TYR 125 CO 0.10 -1.32 0.40 0.08 0.64 0.00 0.00 175.55 175.45 3bb1 s VAL 126 N 3.47 5.21 -0.16 3.14 1.01 -0.06 -0.25 120.40 132.77 3bb1 s VAL 126 Ca 0.22 -0.52 -0.34 0.00 0.00 0.00 0.00 61.98 61.34 3bb1 s VAL 126 Cb -0.17 -3.78 0.14 0.00 0.00 0.00 0.00 36.38 32.58 3bb1 s VAL 126 CO 0.14 -0.26 1.31 -0.62 0.00 0.00 0.00 175.10 175.67 3bb1 s ASP 127 N -3.46 -0.06 0.26 3.32 -1.08 -0.82 -4.50 116.67 110.33 3bb1 s ASP 127 Ca 0.38 -0.04 -0.18 0.00 -0.52 0.00 0.00 52.55 52.19 3bb1 s ASP 127 Cb -0.10 0.09 -0.09 0.00 -1.46 0.00 0.00 42.92 41.36 3bb1 s ASP 127 CO 0.30 -0.16 0.73 -0.13 0.52 0.00 0.00 175.17 176.44 3bb1 s ARG 128 N -2.26 4.18 0.05 4.34 0.52 -1.26 -0.89 118.95 123.63 3bb1 s ARG 128 Ca 0.12 0.82 -0.19 0.00 -0.52 0.00 0.00 55.73 55.96 3bb1 s ARG 128 Cb 0.02 -2.73 -0.14 0.00 0.52 0.00 0.00 34.95 32.62 3bb1 s ARG 128 CO -0.04 0.31 1.32 1.25 0.02 0.00 0.00 175.30 178.16 3bb1 h LEU 129 N 3.03 0.52 -3.93 2.53 5.85 -1.06 -3.36 115.31 118.89 3bb1 h LEU 129 Ca -0.48 -0.54 -0.17 0.00 0.84 0.00 0.00 57.88 57.53 3bb1 h LEU 129 Cb 1.19 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 42.00 3bb1 h LEU 129 CO 0.65 0.96 -0.35 -0.90 -0.34 0.00 0.00 178.44 178.46 3bb1 n ASP 130 N -4.40 5.17 -4.41 1.25 5.75 -1.26 -4.76 116.55 113.88 3bb1 n ASP 130 Ca -0.06 -2.46 -0.27 0.00 -0.01 0.00 0.00 54.79 51.98 3bb1 n ASP 130 Cb 0.46 -1.38 -0.12 0.00 -1.03 0.00 0.00 41.12 39.05 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 0.95 2.49 -0.28 2.12 0.00 -1.26 -5.05 121.76 120.72 3bb1 s ALA 131 Ca 0.61 -1.59 0.06 0.00 0.00 0.00 0.00 51.96 51.03 3bb1 s ALA 131 Cb 0.29 -0.34 -0.06 0.00 0.00 0.00 0.00 23.12 23.01 3bb1 s ALA 131 CO 0.00 0.46 0.26 0.66 0.00 0.00 0.00 175.76 177.14 3bb1 n TYR 132 N 0.46 0.00 -4.30 0.00 4.01 -1.26 -5.02 117.16 111.05 3bb1 n TYR 132 Ca -0.14 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.40 3bb1 n TYR 132 Cb 0.55 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.45 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 -1.50 0.90 -0.08 -0.72 1.81 -1.26 -5.13 118.95 112.96 3bb1 s ARG 133 Ca 0.02 -0.82 0.04 0.00 -1.72 0.00 0.00 55.73 53.26 3bb1 s ARG 133 Cb 0.04 -0.90 -0.01 0.00 -0.45 0.00 0.00 34.95 33.63 3bb1 s ARG 133 CO 0.23 0.22 -0.21 0.08 -0.68 0.00 0.00 175.30 174.93 3bb1 s VAL 134 N -0.98 2.37 0.17 3.52 1.01 -1.26 -5.08 120.40 120.16 3bb1 s VAL 134 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.05 3bb1 s VAL 134 Cb -0.08 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.39 3bb1 s VAL 134 CO 0.02 0.56 0.22 -0.90 0.00 0.00 0.00 175.10 175.00 3bb1 n ASP 135 N 3.12 -0.60 -0.43 3.32 5.68 -1.26 -5.03 116.55 121.34 3bb1 n ASP 135 Ca -0.18 -1.97 0.37 0.00 -0.50 0.00 0.00 54.79 52.51 3bb1 n ASP 135 Cb 0.52 1.16 0.68 0.00 -1.14 0.00 0.00 41.12 42.35 3bb1 n ASP 135 CO 0.00 0.00 0.00 -1.13 -1.33 0.00 0.00 177.20 174.74 3bb1 h ASN 136 N 0.98 0.17 -0.20 -1.12 -1.24 -1.99 -0.56 115.58 111.62 3bb1 h ASN 136 Ca -0.13 0.06 -0.04 0.00 0.71 0.00 0.00 56.30 56.90 3bb1 h ASN 136 Cb 0.59 0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.67 3bb1 h ASN 136 CO 0.18 -0.04 0.01 -0.07 -1.29 0.00 0.00 177.43 176.22 3bb1 h LEU 137 N 0.11 0.43 -0.04 0.34 3.38 -1.96 1.60 115.31 119.17 3bb1 h LEU 137 Ca 0.72 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.60 3bb1 h LEU 137 Cb 2.49 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 43.13 3bb1 h LEU 137 CO -0.20 0.49 -0.08 0.44 0.09 0.00 0.00 178.44 179.18 3bb1 h ASP 138 N 0.45 0.14 -0.62 -0.43 3.32 -1.52 -2.83 116.42 114.92 3bb1 h ASP 138 Ca 0.10 -0.57 0.12 0.00 0.02 0.00 0.00 57.03 56.71 3bb1 h ASP 138 Cb 0.28 -0.04 -0.12 0.00 0.22 0.00 0.00 39.33 39.67 3bb1 h ASP 138 CO 0.01 0.68 -0.17 0.50 -1.72 0.00 0.00 179.24 178.54 3bb1 h LYS 139 N -0.40 -0.01 -0.76 3.56 3.64 -0.92 -1.55 116.57 120.13 3bb1 h LYS 139 Ca 0.00 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 3bb1 h LYS 139 Cb 0.65 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.43 3bb1 h LYS 139 CO 0.02 -0.01 0.50 -0.07 -2.27 0.00 0.00 179.45 177.62 3bb1 h LEU 140 N -0.01 0.78 -0.23 5.20 3.38 0.23 -1.56 115.31 123.11 3bb1 h LEU 140 Ca 0.30 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.22 3bb1 h LEU 140 Cb 0.46 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3bb1 h LEU 140 CO -0.65 0.53 -0.02 0.58 0.09 0.00 0.00 178.44 178.97 3bb1 h VAL 141 N 0.91 1.27 -0.54 1.22 2.07 -1.03 -0.76 116.25 119.38 3bb1 h VAL 141 Ca 0.31 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 3bb1 h VAL 141 Cb 0.09 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 3bb1 h VAL 141 CO -0.09 0.30 0.26 0.00 0.02 0.00 0.00 177.57 178.06 3bb1 h ALA 142 N 0.78 0.70 -0.34 1.67 0.00 -1.11 -0.64 119.26 120.32 3bb1 h ALA 142 Ca 0.06 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.90 3bb1 h ALA 142 Cb 0.45 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 3bb1 h ALA 142 CO 0.02 0.26 0.06 -0.22 0.00 0.00 0.00 179.25 179.37 3bb1 h LYS 143 N 0.73 0.18 -0.03 0.00 3.64 -1.16 0.22 116.57 120.15 3bb1 h LYS 143 Ca 0.19 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.43 3bb1 h LYS 143 Cb 0.11 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 3bb1 h LYS 143 CO -0.02 0.12 -0.58 0.00 -2.27 0.00 0.00 179.45 176.70 3bb1 h ALA 144 N 1.26 0.99 -0.04 5.00 0.00 -0.76 0.23 119.26 125.94 3bb1 h ALA 144 Ca 0.16 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3bb1 h ALA 144 Cb 0.19 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3bb1 h ALA 144 CO -0.22 0.72 -0.02 0.82 0.00 0.00 0.00 179.25 180.55 3bb1 h ILE 145 N 0.07 1.32 -0.76 0.00 2.04 -0.49 -2.56 117.51 117.13 3bb1 h ILE 145 Ca -0.00 -0.98 0.01 0.00 1.00 0.00 0.00 64.86 64.89 3bb1 h ILE 145 Cb 1.04 1.89 -0.04 0.00 -0.74 0.00 0.00 36.82 38.97 3bb1 h ILE 145 CO 0.08 0.26 0.50 0.74 0.00 0.00 0.00 178.15 179.73 3bb1 h THR 146 N -0.30 1.18 -0.04 -0.27 2.02 -0.39 -1.56 112.91 113.56 3bb1 h THR 146 Ca 0.01 -0.35 0.01 0.00 0.77 0.00 0.00 66.41 66.85 3bb1 h THR 146 Cb 0.43 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.92 3bb1 h THR 146 CO 0.01 0.18 0.04 0.44 0.37 0.00 0.00 175.52 176.56 3bb1 h ASP 147 N 1.01 0.00 0.01 4.18 3.32 -0.49 0.99 116.42 125.44 3bb1 h ASP 147 Ca 0.28 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.95 3bb1 h ASP 147 Cb -0.10 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.38 3bb1 h ASP 147 CO -0.07 0.00 -2.43 -1.20 -1.72 0.00 0.00 179.24 173.82 3bb1 n SER 148 N -3.97 1.17 0.00 6.45 7.64 -0.90 -4.66 113.62 119.36 3bb1 n SER 148 Ca -0.02 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.79 3bb1 n SER 148 Cb 0.13 0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 3bb1 n SER 148 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3bb1 n PHE 149 N -3.06 0.00 0.00 1.43 3.72 -0.64 -4.30 117.46 114.61 3bb1 n PHE 149 Ca -0.40 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.00 3bb1 n PHE 149 Cb 1.06 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.60 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 0.02 -0.25 0.57 1.37 0.00 0.34 -4.51 105.19 102.74 3bb1 n GLY 150 Ca 0.00 -1.47 0.35 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.96 1.61 1.57 -1.84 -0.16 116.57 116.78 3bb1 h LYS 151 Ca 0.00 0.00 0.24 0.00 -1.87 0.00 0.00 60.65 59.02 3bb1 h LYS 151 Cb 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.24 3bb1 h LYS 151 CO 0.00 0.00 0.64 0.78 -0.57 0.00 0.00 179.45 180.30 3bb1 h GLY 152 N 0.00 0.82 2.00 3.86 0.00 -1.95 -2.84 103.07 104.95 3bb1 h GLY 152 Ca 0.60 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.73 3bb1 h GLY 152 CO -0.01 -0.04 -0.21 1.19 0.00 0.00 0.00 176.54 177.47 3bb1 h ILE 153 N 0.33 0.96 0.00 2.60 2.10 -1.25 -2.20 117.51 120.05 3bb1 h ILE 153 Ca 0.51 -0.76 0.00 0.00 1.08 0.00 0.00 64.86 65.68 3bb1 h ILE 153 Cb 1.40 1.43 0.00 0.00 -1.09 0.00 0.00 36.82 38.57 3bb1 h ILE 153 CO -0.18 0.20 0.00 -0.50 -1.08 0.00 0.00 178.15 176.59 3bb1 h TRP 154 N 0.00 0.00 0.00 2.19 4.06 -1.73 0.15 115.95 120.62 3bb1 h TRP 154 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3bb1 h TRP 154 Cb 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.58 3bb1 h TRP 154 CO 0.00 0.00 0.00 0.09 -3.56 0.00 0.00 178.44 174.97 3bb1 n ASN 155 N -2.72 0.00 -0.12 -3.49 3.02 -0.83 -3.00 115.26 108.12 3bb1 n ASN 155 Ca 0.01 -0.72 0.01 0.00 -0.03 0.00 0.00 54.58 53.86 3bb1 n ASN 155 Cb 0.28 -0.07 0.02 0.00 -0.61 0.00 0.00 39.78 39.40 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 -1.07 1.65 -3.44 3.52 4.76 0.49 -4.81 118.16 119.26 3bb1 n LYS 156 Ca 0.20 -1.26 -0.31 0.00 -2.87 0.00 0.00 58.31 54.07 3bb1 n LYS 156 Cb 0.13 -1.05 -0.05 0.00 -1.84 0.00 0.00 35.03 32.22 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 -0.71 3.62 -0.02 7.82 0.00 -1.09 -1.76 121.76 129.63 3bb1 s ALA 157 Ca 0.04 -0.40 0.01 0.00 0.00 0.00 0.00 51.96 51.61 3bb1 s ALA 157 Cb 0.02 -2.34 0.01 0.00 0.00 0.00 0.00 23.12 20.81 3bb1 s ALA 157 CO 0.03 0.47 -0.03 0.42 0.00 0.00 0.00 175.76 176.65 3bb1 s ILE 158 N -1.86 0.30 -0.31 0.00 1.01 0.03 -4.39 121.20 115.99 3bb1 s ILE 158 Ca 0.45 -0.08 -0.20 0.00 0.00 0.00 0.00 60.65 60.82 3bb1 s ILE 158 Cb -0.11 -0.32 -0.01 0.00 0.01 0.00 0.00 42.46 42.03 3bb1 s ILE 158 CO 0.24 0.13 0.64 -0.69 0.00 0.00 0.00 174.94 175.26 3bb1 s VAL 159 N 0.43 4.92 -0.21 2.92 1.01 -0.98 -1.14 120.40 127.36 3bb1 s VAL 159 Ca -0.05 0.87 -0.14 0.00 0.00 0.00 0.00 61.98 62.67 3bb1 s VAL 159 Cb -0.08 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 3bb1 s VAL 159 CO -0.01 -0.16 0.30 0.00 0.00 0.00 0.00 175.10 175.24 3bb1 s ALA 160 N 2.64 3.58 -0.28 5.51 0.00 0.66 0.24 121.76 134.11 3bb1 s ALA 160 Ca 0.26 -0.67 -0.05 0.00 0.00 0.00 0.00 51.96 51.50 3bb1 s ALA 160 Cb -0.15 -2.50 0.02 0.00 0.00 0.00 0.00 23.12 20.49 3bb1 s ALA 160 CO 0.12 -0.24 0.03 -0.51 0.00 0.00 0.00 175.76 175.16 3bb1 s LEU 161 N 1.17 3.63 0.00 0.00 1.43 0.30 -1.95 118.68 123.26 3bb1 s LEU 161 Ca 0.14 -0.79 -0.08 0.00 -1.03 0.00 0.00 54.13 52.37 3bb1 s LEU 161 Cb -0.14 -1.80 0.16 0.00 0.03 0.00 0.00 46.19 44.44 3bb1 s LEU 161 CO 0.06 -0.17 1.02 0.35 0.23 0.00 0.00 176.35 177.84 3bb1 n THR 162 N 4.79 0.00 -4.02 5.49 -2.24 -0.07 -0.58 114.28 117.65 3bb1 n THR 162 Ca -0.15 -1.06 -0.28 0.00 -2.27 0.00 0.00 64.05 60.29 3bb1 n THR 162 Cb 0.47 -1.32 -0.03 0.00 -2.10 0.00 0.00 70.33 67.35 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 -3.18 -1.56 0.55 4.78 8.25 -1.21 -0.53 115.22 122.32 3bb1 n HIS 163 Ca 0.14 0.66 0.13 0.00 -0.26 0.00 0.00 57.72 58.39 3bb1 n HIS 163 Cb 0.50 -3.46 0.40 0.00 1.12 0.00 0.00 29.99 28.55 3bb1 n HIS 163 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bb1 h ALA 164 N 0.86 1.00 -2.13 -1.41 0.00 -1.40 -3.40 119.26 112.78 3bb1 h ALA 164 Ca -0.64 0.00 -0.73 0.00 0.00 0.00 0.00 54.91 53.53 3bb1 h ALA 164 Cb 1.38 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.97 3bb1 h ALA 164 CO 0.63 0.00 0.76 -1.14 0.00 0.00 0.00 179.25 179.49 3bb1 s GLN 165 N -3.15 3.77 -0.25 0.00 0.74 -1.26 -4.62 119.66 114.89 3bb1 s GLN 165 Ca 0.09 -2.25 -0.23 0.00 0.05 0.00 0.00 55.36 53.02 3bb1 s GLN 165 Cb 0.11 -4.81 0.07 0.00 1.10 0.00 0.00 33.01 29.48 3bb1 s GLN 165 CO 0.58 -1.61 0.67 0.12 -0.55 0.00 0.00 175.29 174.50 3bb1 s PHE 166 N 1.49 -0.74 -0.43 1.67 2.19 -1.26 -5.09 117.98 115.81 3bb1 s PHE 166 Ca 0.32 1.79 -0.21 0.00 0.33 0.00 0.00 56.93 59.16 3bb1 s PHE 166 Cb -0.06 0.25 0.02 0.00 -1.31 0.00 0.00 43.02 41.92 3bb1 s PHE 166 CO -0.07 -0.35 0.69 -1.12 1.83 0.00 0.00 175.22 176.20 3bb1 s SER 167 N 0.36 6.37 0.70 6.13 0.01 -1.26 -4.97 113.70 121.04 3bb1 s SER 167 Ca -0.00 -0.17 -0.16 0.00 1.31 0.00 0.00 55.95 56.92 3bb1 s SER 167 Cb -0.05 -2.34 -0.01 0.00 0.21 0.00 0.00 66.02 63.83 3bb1 s SER 167 CO 0.01 -0.79 0.93 -2.65 0.41 0.00 0.00 173.24 171.15 3bb1 n PRO 168 N 6.38 0.55 -2.27 12.44 -0.02 -1.26 -4.98 135.00 145.83 3bb1 n PRO 168 Ca -0.00 0.24 -0.27 0.00 -2.02 0.00 0.00 63.50 61.45 3bb1 n PRO 168 Cb 0.48 -2.18 0.17 0.00 -0.02 0.00 0.00 33.50 31.94 3bb1 n PRO 168 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3bb1 s PRO 169 N -3.20 0.90 -0.11 0.52 0.04 -1.26 -4.07 135.00 127.82 3bb1 s PRO 169 Ca 0.73 -0.89 0.00 0.00 0.04 0.00 0.00 61.00 60.88 3bb1 s PRO 169 Cb -0.36 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.12 3bb1 s PRO 169 CO 0.50 -2.11 0.00 -0.25 0.04 0.00 0.00 177.00 175.19 3bb1 n ASP 170 N -3.40 -5.72 -0.72 6.66 9.92 -1.26 -1.56 116.55 120.47 3bb1 n ASP 170 Ca 0.17 0.03 -0.09 0.00 -0.53 0.00 0.00 54.79 54.36 3bb1 n ASP 170 Cb 0.60 -3.31 -0.04 0.00 -0.64 0.00 0.00 41.12 37.73 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 0.59 0.91 3.70 0.44 0.00 -1.26 -4.97 105.19 104.61 3bb1 n GLY 171 Ca -0.01 -0.02 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 3bb1 n GLY 171 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bb1 n LEU 172 N -1.07 3.68 -4.76 0.99 4.77 -0.60 -4.94 117.00 115.08 3bb1 n LEU 172 Ca -0.09 1.08 -0.40 0.00 -0.03 0.00 0.00 56.01 56.57 3bb1 n LEU 172 Cb 0.57 -1.52 -0.04 0.00 -2.33 0.00 0.00 43.42 40.10 3bb1 n LEU 172 CO 0.14 -0.02 0.83 -2.16 -1.33 0.00 0.00 177.39 174.85 3bb1 s PRO 173 N 0.80 4.59 0.18 3.23 0.05 -1.26 -4.42 135.00 138.17 3bb1 s PRO 173 Ca 0.75 1.88 -0.14 0.00 0.05 0.00 0.00 61.00 63.54 3bb1 s PRO 173 Cb -0.57 -3.17 0.18 0.00 0.05 0.00 0.00 34.50 30.99 3bb1 s PRO 173 CO 0.37 0.14 1.21 0.98 0.05 0.00 0.00 177.00 179.75 3bb1 n TYR 174 N 1.13 0.01 -0.23 0.56 9.36 -1.26 -0.74 117.16 126.01 3bb1 n TYR 174 Ca -0.01 0.96 -0.07 0.00 3.32 0.00 0.00 57.90 62.10 3bb1 n TYR 174 Cb 0.44 -0.79 0.04 0.00 -0.63 0.00 0.00 39.34 38.40 3bb1 n TYR 174 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 3bb1 h ASP 175 N 0.00 0.86 -0.68 2.98 3.32 -1.95 -1.82 116.42 119.13 3bb1 h ASP 175 Ca 0.27 -0.16 0.01 0.00 0.02 0.00 0.00 57.03 57.16 3bb1 h ASP 175 Cb 0.46 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 3bb1 h ASP 175 CO -0.77 0.79 0.45 -0.08 -1.72 0.00 0.00 179.24 177.90 3bb1 h GLU 176 N 0.88 0.88 0.77 3.56 4.57 -1.31 -0.87 114.58 123.07 3bb1 h GLU 176 Ca 0.21 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.30 3bb1 h GLU 176 Cb 0.19 -0.20 0.01 0.00 -0.16 0.00 0.00 28.75 28.59 3bb1 h GLU 176 CO -0.02 0.58 -0.37 0.35 -1.18 0.00 0.00 179.01 178.37 3bb1 h PHE 177 N 0.91 -0.96 -0.66 0.92 3.04 -1.09 -1.92 116.94 117.19 3bb1 h PHE 177 Ca 0.25 -0.02 0.13 0.00 3.98 0.00 0.00 57.97 62.31 3bb1 h PHE 177 Cb -0.10 0.32 -0.10 0.00 2.56 0.00 0.00 35.95 38.64 3bb1 h PHE 177 CO -0.03 -0.58 0.15 0.35 -2.02 0.00 0.00 178.31 176.18 3bb1 h PHE 178 N -1.22 0.24 -0.39 0.41 3.57 -1.34 0.15 116.94 118.36 3bb1 h PHE 178 Ca -0.11 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.41 3bb1 h PHE 178 Cb 0.81 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.53 3bb1 h PHE 178 CO -0.00 -0.05 0.15 1.03 -2.23 0.00 0.00 178.31 177.21 3bb1 h SER 179 N 0.27 0.55 -0.01 0.41 0.87 -1.15 0.16 113.55 114.65 3bb1 h SER 179 Ca 0.36 -0.18 -0.08 0.00 -1.23 0.00 0.00 61.79 60.66 3bb1 h SER 179 Cb 0.56 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 3bb1 h SER 179 CO -0.45 0.59 -0.20 0.11 -0.53 0.00 0.00 176.83 176.35 3bb1 h LYS 180 N 0.49 0.37 0.04 2.24 1.57 -0.38 -2.62 116.57 118.28 3bb1 h LYS 180 Ca 0.13 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3bb1 h LYS 180 Cb 0.21 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3bb1 h LYS 180 CO -0.01 0.56 -0.02 -0.09 -0.57 0.00 0.00 179.45 179.32 3bb1 h ARG 181 N 0.34 -0.05 -0.85 3.15 2.43 -0.44 -2.04 114.38 116.91 3bb1 h ARG 181 Ca 0.06 0.00 0.21 0.00 -0.81 0.00 0.00 59.98 59.44 3bb1 h ARG 181 Cb 0.55 0.01 -0.15 0.00 -0.42 0.00 0.00 29.97 29.96 3bb1 h ARG 181 CO 0.04 0.58 0.03 0.77 -1.51 0.00 0.00 179.97 179.87 3bb1 h SER 182 N -0.74 -0.37 -0.11 -3.80 0.02 -0.70 0.18 113.55 108.03 3bb1 h SER 182 Ca -0.01 0.23 -0.19 0.00 -0.84 0.00 0.00 61.79 60.99 3bb1 h SER 182 Cb 0.65 0.39 0.01 0.00 0.14 0.00 0.00 62.40 63.59 3bb1 h SER 182 CO 0.01 -0.23 -0.65 -0.08 -1.14 0.00 0.00 176.83 174.73 3bb1 h GLU 183 N 0.09 0.64 -0.18 3.45 4.81 -1.51 -0.56 114.58 121.31 3bb1 h GLU 183 Ca 0.49 -0.54 0.05 0.00 -0.13 0.00 0.00 59.36 59.23 3bb1 h GLU 183 Cb 0.93 0.12 -0.07 0.00 0.63 0.00 0.00 28.75 30.36 3bb1 h GLU 183 CO -0.76 1.16 -0.30 0.00 -0.73 0.00 0.00 179.01 178.38 3bb1 h ALA 184 N 0.49 -0.30 -0.26 2.92 0.00 -0.57 -2.15 119.26 119.38 3bb1 h ALA 184 Ca -0.05 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 3bb1 h ALA 184 Cb 1.30 0.59 -0.00 0.00 0.00 0.00 0.00 17.79 19.68 3bb1 h ALA 184 CO 0.13 -0.76 -0.34 1.25 0.00 0.00 0.00 179.25 179.53 3bb1 h LEU 185 N -0.35 0.75 -1.52 0.00 5.85 -0.42 -2.91 115.31 116.70 3bb1 h LEU 185 Ca 0.11 -0.50 -0.05 0.00 0.84 0.00 0.00 57.88 58.28 3bb1 h LEU 185 Cb 0.52 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3bb1 h LEU 185 CO -0.37 1.10 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.51 3bb1 h LEU 186 N 0.42 0.00 -0.35 2.25 3.38 -1.10 -1.27 115.31 118.63 3bb1 h LEU 186 Ca 0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3bb1 h LEU 186 Cb 0.92 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 3bb1 h LEU 186 CO 0.08 0.25 0.10 0.06 0.09 0.00 0.00 178.44 179.02 3bb1 h GLN 187 N 0.00 0.56 0.00 1.13 -0.00 -1.18 -1.54 115.11 114.08 3bb1 h GLN 187 Ca -0.00 -0.13 -0.16 0.00 -0.00 0.00 0.00 58.65 58.36 3bb1 h GLN 187 Cb 0.49 -0.08 -0.02 0.00 -0.00 0.00 0.00 27.48 27.87 3bb1 h GLN 187 CO 0.03 0.59 -0.78 -0.24 -0.00 0.00 0.00 178.83 178.44 3bb1 h VAL 188 N 0.42 1.40 0.79 1.86 3.04 -1.45 0.28 116.25 122.59 3bb1 h VAL 188 Ca 0.11 -2.81 -0.04 0.00 -1.01 0.00 0.00 66.70 62.95 3bb1 h VAL 188 Cb 0.28 2.59 0.01 0.00 -2.01 0.00 0.00 31.29 32.15 3bb1 h VAL 188 CO -0.00 0.76 -0.38 0.58 -1.01 0.00 0.00 177.57 177.52 3bb1 h VAL 189 N 0.00 0.03 -0.72 1.51 2.07 -1.27 0.54 116.25 118.41 3bb1 h VAL 189 Ca -0.01 -0.21 0.15 0.00 0.82 0.00 0.00 66.70 67.46 3bb1 h VAL 189 Cb 1.52 0.04 -0.10 0.00 -1.52 0.00 0.00 31.29 31.23 3bb1 h VAL 189 CO 0.10 0.00 0.19 0.03 0.02 0.00 0.00 177.57 177.91 3bb1 h ARG 190 N -1.27 0.28 0.19 1.57 3.08 -1.29 0.25 114.38 117.20 3bb1 h ARG 190 Ca -0.11 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 3bb1 h ARG 190 Cb 0.82 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.81 3bb1 h ARG 190 CO 0.18 0.19 -0.09 1.03 -1.07 0.00 0.00 179.97 180.20 3bb1 h SER 191 N 0.29 -0.22 0.00 7.04 0.87 -0.46 -1.90 113.55 119.17 3bb1 h SER 191 Ca 0.40 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.91 3bb1 h SER 191 Cb 0.67 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 3bb1 h SER 191 CO -0.48 -0.08 0.08 1.23 -0.53 0.00 0.00 176.83 177.04 3bb1 h GLY 192 N -0.34 0.00 1.03 5.77 0.00 -0.49 -3.40 103.07 105.64 3bb1 h GLY 192 Ca -0.03 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.12 3bb1 h GLY 192 CO 0.04 0.00 -1.41 0.00 0.00 0.00 0.00 176.54 175.17 3bb1 h ALA 193 N 1.84 0.67 -2.05 3.60 0.00 0.28 -3.02 119.26 120.56 3bb1 h ALA 193 Ca 0.00 -0.90 -0.66 0.00 0.00 0.00 0.00 54.91 53.35 3bb1 h ALA 193 Cb 0.16 0.29 -0.38 0.00 0.00 0.00 0.00 17.79 17.86 3bb1 h ALA 193 CO 0.00 0.98 -0.14 -1.13 0.00 0.00 0.00 179.25 178.96 3bb1 n SER 194 N -2.92 4.89 -0.02 0.00 3.41 -1.26 -4.70 113.62 113.03 3bb1 n SER 194 Ca -0.10 -3.53 -0.13 0.00 -0.26 0.00 0.00 58.87 54.85 3bb1 n SER 194 Cb 0.86 -0.82 -0.09 0.00 -0.26 0.00 0.00 64.21 63.90 3bb1 n SER 194 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3bb1 h LEU 195 N 4.14 0.07 0.00 1.04 -0.00 -1.76 -3.47 115.31 115.33 3bb1 h LEU 195 Ca 0.22 -0.44 0.00 0.00 -0.00 0.00 0.00 57.88 57.66 3bb1 h LEU 195 Cb 0.57 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.21 3bb1 h LEU 195 CO 0.97 0.50 0.00 0.29 -0.00 0.00 0.00 178.44 180.20 3bb1 n LYS 196 N -4.82 0.00 -0.07 1.13 4.01 -1.25 -4.71 118.16 112.44 3bb1 n LYS 196 Ca -0.08 0.00 0.23 0.00 -0.51 0.00 0.00 58.31 57.95 3bb1 n LYS 196 Cb 0.25 0.00 0.44 0.00 -0.51 0.00 0.00 35.03 35.21 3bb1 n LYS 196 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 3bb1 h LYS 197 N 0.00 0.00 0.00 1.97 1.57 -1.96 -3.41 116.57 114.74 3bb1 h LYS 197 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3bb1 h LYS 197 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3bb1 h LYS 197 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.63 3bb1 n ASP 198 N -3.20 0.00 -2.41 0.86 9.92 -1.26 -5.15 116.55 115.31 3bb1 n ASP 198 Ca 0.17 0.01 -0.09 0.00 -0.53 0.00 0.00 54.79 54.35 3bb1 n ASP 198 Cb 1.28 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 41.80 3bb1 n ASP 198 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3bb1 n ALA 199 N -1.76 -1.39 0.00 2.24 0.00 -1.26 -5.12 120.51 113.21 3bb1 n ALA 199 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3bb1 n ALA 199 Cb 0.00 -2.66 0.00 0.00 0.00 0.00 0.00 19.45 16.79 3bb1 n ALA 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bb1 n ALA 201 N -2.55 0.00 0.08 0.00 0.00 -1.26 -4.93 120.51 111.84 3bb1 n ALA 201 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.25 3bb1 n ALA 201 Cb 0.58 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.95 3bb1 n ALA 201 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3bb1 h SER 202 N 0.00 -0.23 0.00 0.00 0.87 -2.02 -3.49 113.55 108.68 3bb1 h SER 202 Ca 0.00 -0.29 -0.08 0.00 -1.23 0.00 0.00 61.79 60.19 3bb1 h SER 202 Cb 0.00 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 3bb1 h SER 202 CO 0.00 0.28 -1.40 -0.67 -0.53 0.00 0.00 176.83 174.51 3bb1 n ASP 203 N -4.97 3.41 -4.81 6.23 2.03 -1.26 -4.73 116.55 112.45 3bb1 n ASP 203 Ca -0.08 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 54.92 3bb1 n ASP 203 Cb 0.26 0.88 0.06 0.00 -0.72 0.00 0.00 41.12 41.59 3bb1 n ASP 203 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3bb1 s ILE 204 N -2.27 3.83 0.95 5.18 -1.09 -1.26 -5.09 121.20 121.46 3bb1 s ILE 204 Ca -0.03 0.63 -0.12 0.00 -2.23 0.00 0.00 60.65 58.90 3bb1 s ILE 204 Cb 0.03 -3.28 0.16 0.00 -1.58 0.00 0.00 42.46 37.79 3bb1 s ILE 204 CO 0.27 -0.75 1.09 -2.16 -1.23 0.00 0.00 174.94 172.16 3bb1 s PRO 205 N -4.90 0.81 -0.03 2.79 0.04 -1.26 -4.89 135.00 127.56 3bb1 s PRO 205 Ca 0.59 0.82 -0.00 0.00 0.04 0.00 0.00 61.00 62.45 3bb1 s PRO 205 Cb -0.15 -1.76 0.03 0.00 0.04 0.00 0.00 34.50 32.66 3bb1 s PRO 205 CO 0.53 -2.55 0.02 0.08 0.04 0.00 0.00 177.00 175.12 3bb1 s VAL 206 N -2.86 0.10 0.26 -0.36 1.01 -1.26 -2.31 120.40 114.98 3bb1 s VAL 206 Ca 0.65 0.18 0.10 0.00 0.00 0.00 0.00 61.98 62.91 3bb1 s VAL 206 Cb -0.19 -0.24 -0.05 0.00 0.00 0.00 0.00 36.38 35.89 3bb1 s VAL 206 CO 0.58 0.16 -0.17 0.68 0.00 0.00 0.00 175.10 176.34 3bb1 s VAL 207 N 1.37 2.21 -0.17 2.92 -7.23 0.14 -4.95 120.40 114.70 3bb1 s VAL 207 Ca -0.05 -2.33 -0.02 0.00 -1.81 0.00 0.00 61.98 57.77 3bb1 s VAL 207 Cb -0.13 -2.23 -0.01 0.00 0.56 0.00 0.00 36.38 34.56 3bb1 s VAL 207 CO -0.03 -0.45 -0.09 -0.76 -0.31 0.00 0.00 175.10 173.46 3bb1 s LEU 208 N -3.45 2.84 0.12 1.32 1.43 -1.26 -0.54 118.68 119.14 3bb1 s LEU 208 Ca 0.28 -0.33 0.07 0.00 -1.03 0.00 0.00 54.13 53.12 3bb1 s LEU 208 Cb -0.03 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 3bb1 s LEU 208 CO 0.12 0.10 -0.09 -0.63 0.23 0.00 0.00 176.35 176.08 3bb1 s ILE 209 N 0.77 3.38 -0.37 -0.59 1.09 0.26 -4.84 121.20 120.90 3bb1 s ILE 209 Ca -0.04 -1.33 0.01 0.00 -1.10 0.00 0.00 60.65 58.19 3bb1 s ILE 209 Cb -0.15 -2.60 0.15 0.00 -1.06 0.00 0.00 42.46 38.80 3bb1 s ILE 209 CO 0.01 0.06 0.24 -0.70 -0.10 0.00 0.00 174.94 174.46 3bb1 s GLU 210 N -2.35 0.66 0.40 2.79 -6.30 -1.26 -1.34 118.70 111.30 3bb1 s GLU 210 Ca 0.22 -1.54 0.29 0.00 -2.50 0.00 0.00 54.97 51.43 3bb1 s GLU 210 Cb -0.11 -1.36 1.29 0.00 0.00 0.00 0.00 34.13 33.95 3bb1 s GLU 210 CO 0.14 -1.25 1.86 -0.91 0.02 0.00 0.00 175.26 175.12 3bb1 h ASN 211 N 6.66 0.00 -2.43 -1.70 2.35 -1.98 -3.44 115.58 115.05 3bb1 h ASN 211 Ca 0.11 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.33 3bb1 h ASN 211 Cb 0.95 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.36 3bb1 h ASN 211 CO 0.30 0.00 1.15 -0.24 -1.65 0.00 0.00 177.43 176.99 3bb1 n SER 212 N -2.58 4.06 -0.27 5.81 2.88 -1.26 -4.82 113.62 117.44 3bb1 n SER 212 Ca 0.01 0.96 0.08 0.00 -1.33 0.00 0.00 58.87 58.59 3bb1 n SER 212 Cb 0.20 -1.53 0.22 0.00 -0.75 0.00 0.00 64.21 62.35 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 9.25 1.11 -7.24 0.46 0.00 -2.04 -3.33 103.07 101.26 3bb1 h GLY 213 Ca -0.48 0.01 -0.56 0.00 0.00 0.00 0.00 47.33 46.30 3bb1 h GLY 213 CO 0.95 -0.29 1.26 0.50 0.00 0.00 0.00 176.54 178.96 3bb1 s ARG 214 N -6.02 3.33 0.01 4.80 0.52 -1.26 -4.96 118.95 115.37 3bb1 s ARG 214 Ca -0.13 -0.62 -0.00 0.00 -0.52 0.00 0.00 55.73 54.46 3bb1 s ARG 214 Cb 0.23 -4.77 -0.01 0.00 0.52 0.00 0.00 34.95 30.92 3bb1 s ARG 214 CO 0.76 -2.25 -0.01 0.00 0.02 0.00 0.00 175.30 173.82 3bb1 n ASN 216 N 1.97 4.52 0.34 0.00 5.03 -1.26 -4.91 115.26 120.95 3bb1 n ASN 216 Ca -0.21 -2.88 -0.15 0.00 0.87 0.00 0.00 54.58 52.22 3bb1 n ASN 216 Cb 0.56 -1.73 -0.07 0.00 -1.02 0.00 0.00 39.78 37.52 3bb1 n ASN 216 CO 0.00 0.00 0.00 -0.78 -1.83 0.00 0.00 177.26 174.65 3bb1 h ASP 221 N 7.74 -0.92 0.00 6.41 1.82 -1.95 0.67 116.42 130.19 3bb1 h ASP 221 Ca 0.43 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 57.11 3bb1 h ASP 221 Cb 0.85 0.26 0.00 0.00 0.68 0.00 0.00 39.33 41.13 3bb1 h ASP 221 CO 1.48 -0.57 0.00 -1.84 -1.61 0.00 0.00 179.24 176.69 3bb1 n GLU 222 N -4.71 0.00 -2.30 0.28 0.28 -1.26 -4.82 120.64 108.11 3bb1 n GLU 222 Ca -0.11 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.46 3bb1 n GLU 222 Cb 0.38 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.23 3bb1 n GLU 222 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 3bb1 s LYS 223 N 0.00 3.48 0.16 3.44 1.02 -1.26 -4.98 119.74 121.59 3bb1 s LYS 223 Ca 0.00 0.93 -0.30 0.00 0.02 0.00 0.00 55.97 56.62 3bb1 s LYS 223 Cb 0.00 -4.07 -0.07 0.00 -0.52 0.00 0.00 37.83 33.17 3bb1 s LYS 223 CO 0.00 -1.69 1.04 0.54 -0.92 0.00 0.00 175.35 174.32 3bb1 s VAL 224 N 5.83 4.11 0.88 3.17 0.11 0.23 -3.10 120.40 131.62 3bb1 s VAL 224 Ca 0.63 1.80 -0.11 0.00 -2.93 0.00 0.00 61.98 61.37 3bb1 s VAL 224 Cb -0.14 -4.15 0.18 0.00 -1.53 0.00 0.00 36.38 30.73 3bb1 s VAL 224 CO 0.32 0.30 1.21 -0.76 -3.33 0.00 0.00 175.10 172.84 3bb1 s LEU 225 N -0.26 2.80 0.28 2.54 1.43 -1.23 -4.10 118.68 120.15 3bb1 s LEU 225 Ca 0.48 0.04 0.25 0.00 -1.03 0.00 0.00 54.13 53.87 3bb1 s LEU 225 Cb -0.27 -2.18 0.94 0.00 0.03 0.00 0.00 46.19 44.71 3bb1 s LEU 225 CO 0.33 -2.44 1.76 -0.65 0.23 0.00 0.00 176.35 175.58 3bb1 h PRO 226 N -1.26 0.00 -0.72 1.29 0.11 -1.92 -2.35 132.00 127.16 3bb1 h PRO 226 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3bb1 h PRO 226 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3bb1 h PRO 226 CO 0.39 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.45 3bb1 n ASN 227 N -2.38 3.39 0.00 -2.05 2.04 -1.26 -4.94 115.26 110.06 3bb1 n ASN 227 Ca 0.03 -2.44 0.00 0.00 -0.44 0.00 0.00 54.58 51.74 3bb1 n ASN 227 Cb 0.32 -0.55 0.00 0.00 -2.53 0.00 0.00 39.78 37.01 3bb1 n ASN 227 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3bb1 n GLY 228 N 0.46 1.29 3.61 4.83 0.00 -0.89 -4.96 105.19 109.53 3bb1 n GLY 228 Ca 0.15 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.09 3.37 -0.12 -0.61 1.01 -1.26 -3.71 121.20 119.79 3bb1 s ILE 229 Ca 0.00 0.39 -0.30 0.00 0.00 0.00 0.00 60.65 60.74 3bb1 s ILE 229 Cb 0.00 -3.46 -0.07 0.00 0.01 0.00 0.00 42.46 38.94 3bb1 s ILE 229 CO 0.00 -0.26 2.11 0.00 0.00 0.00 0.00 174.94 176.79 3bb1 n ALA 230 N 10.16 1.61 0.05 9.38 0.00 -1.26 -3.56 120.51 136.90 3bb1 n ALA 230 Ca 0.24 -0.04 -0.20 0.00 0.00 0.00 0.00 53.44 53.44 3bb1 n ALA 230 Cb 0.46 -2.79 -0.11 0.00 0.00 0.00 0.00 19.45 17.01 3bb1 n ALA 230 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 3bb1 h TRP 231 N 12.92 1.02 -0.53 0.00 5.08 -1.86 -3.19 115.95 129.38 3bb1 h TRP 231 Ca -0.44 -0.57 -0.02 0.00 1.08 0.00 0.00 58.89 58.94 3bb1 h TRP 231 Cb 1.25 -0.11 -0.02 0.00 -3.00 0.00 0.00 29.16 27.27 3bb1 h TRP 231 CO 0.94 1.41 0.25 0.82 -1.28 0.00 0.00 178.44 180.58 3bb1 h ILE 232 N 0.35 1.20 -0.14 0.12 2.04 -1.91 0.36 117.51 119.53 3bb1 h ILE 232 Ca -0.14 -0.58 -0.11 0.00 1.00 0.00 0.00 64.86 65.03 3bb1 h ILE 232 Cb 1.71 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 3bb1 h ILE 232 CO 0.21 0.23 -0.41 1.55 0.00 0.00 0.00 178.15 179.72 3bb1 h PRO 233 N 0.72 0.32 -0.92 2.37 0.13 -1.91 -2.77 132.00 129.93 3bb1 h PRO 233 Ca 0.18 -0.16 0.01 0.00 -0.87 0.00 0.00 66.00 65.16 3bb1 h PRO 233 Cb 0.13 -0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.22 3bb1 h PRO 233 CO -0.02 0.68 0.61 1.25 -0.23 0.00 0.00 178.00 180.29 3bb1 h HIS 234 N 0.27 1.17 0.32 1.56 2.76 -1.29 0.66 115.15 120.59 3bb1 h HIS 234 Ca 0.02 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.20 3bb1 h HIS 234 Cb 0.84 -0.39 0.00 0.00 1.55 0.00 0.00 27.41 29.41 3bb1 h HIS 234 CO 0.02 0.74 -0.15 1.25 -1.30 0.00 0.00 177.93 178.48 3bb1 h LEU 235 N 1.25 -0.36 -1.61 0.26 5.85 -0.92 -0.97 115.31 118.81 3bb1 h LEU 235 Ca 0.34 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.91 3bb1 h LEU 235 Cb -0.14 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3bb1 h LEU 235 CO -0.07 -0.02 0.27 0.58 -0.34 0.00 0.00 178.44 178.86 3bb1 h VAL 236 N -0.74 1.10 0.12 1.05 2.07 -1.45 0.48 116.25 118.86 3bb1 h VAL 236 Ca -0.04 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.30 3bb1 h VAL 236 Cb 0.50 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3bb1 h VAL 236 CO 0.07 0.10 -0.12 -0.61 0.02 0.00 0.00 177.57 177.03 3bb1 h GLN 237 N 0.54 -0.26 0.00 1.57 4.15 -0.81 -1.86 115.11 118.44 3bb1 h GLN 237 Ca 0.15 0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.51 3bb1 h GLN 237 Cb -0.04 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 3bb1 h GLN 237 CO -0.03 -0.17 -0.39 1.15 -1.93 0.00 0.00 178.83 177.45 3bb1 h THR 238 N -0.26 1.11 -0.20 2.39 2.02 0.27 -1.38 112.91 116.86 3bb1 h THR 238 Ca 0.01 -1.43 -0.01 0.00 0.77 0.00 0.00 66.41 65.74 3bb1 h THR 238 Cb 0.26 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 3bb1 h THR 238 CO -0.04 0.39 0.08 0.40 0.37 0.00 0.00 175.52 176.72 3bb1 h ILE 239 N 0.00 1.16 -0.28 3.11 2.04 -0.03 -2.64 117.51 120.87 3bb1 h ILE 239 Ca -0.00 -0.47 -0.11 0.00 1.00 0.00 0.00 64.86 65.28 3bb1 h ILE 239 Cb 0.78 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 3bb1 h ILE 239 CO 0.05 0.15 -0.28 0.71 0.00 0.00 0.00 178.15 178.79 3bb1 h THR 240 N 0.17 1.28 -0.25 -0.27 1.35 -0.64 0.15 112.91 114.70 3bb1 h THR 240 Ca 0.07 -1.35 -0.05 0.00 -0.55 0.00 0.00 66.41 64.53 3bb1 h THR 240 Cb 0.16 1.37 -0.01 0.00 -1.73 0.00 0.00 68.15 67.93 3bb1 h THR 240 CO -0.01 0.43 -0.05 -0.33 -0.25 0.00 0.00 175.52 175.32 3bb1 h GLU 241 N 0.48 0.39 0.08 4.72 5.08 -1.29 0.13 114.58 124.18 3bb1 h GLU 241 Ca 0.06 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3bb1 h GLU 241 Cb 0.73 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3bb1 h GLU 241 CO 0.06 0.45 -0.04 0.28 -1.00 0.00 0.00 179.01 178.76 3bb1 h VAL 242 N 0.37 1.18 -0.22 3.13 2.07 -1.07 -1.17 116.25 120.54 3bb1 h VAL 242 Ca 0.08 -1.27 0.06 0.00 0.82 0.00 0.00 66.70 66.40 3bb1 h VAL 242 Cb 0.33 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 3bb1 h VAL 242 CO 0.01 0.30 0.18 0.00 0.02 0.00 0.00 177.57 178.08 3bb1 h ALA 243 N 0.07 2.07 -0.02 1.67 0.00 -0.56 0.39 119.26 122.88 3bb1 h ALA 243 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3bb1 h ALA 243 Cb 0.57 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3bb1 h ALA 243 CO 0.02 -0.29 -0.07 1.28 0.00 0.00 0.00 179.25 180.18 3bb1 n LEU 244 N -4.24 2.19 -4.50 0.00 4.77 0.45 -5.00 117.00 110.68 3bb1 n LEU 244 Ca 0.02 -0.73 -0.30 0.00 -0.03 0.00 0.00 56.01 54.97 3bb1 n LEU 244 Cb 0.32 -0.01 0.25 0.00 -2.33 0.00 0.00 43.42 41.65 3bb1 n LEU 244 CO 0.33 0.37 0.55 0.54 -1.33 0.00 0.00 177.39 177.85 3bb1 s ASN 245 N -2.09 0.37 0.16 -1.43 2.20 0.12 -4.91 114.94 109.37 3bb1 s ASN 245 Ca 0.30 0.77 0.20 0.00 -0.94 0.00 0.00 52.86 53.19 3bb1 s ASN 245 Cb 0.20 -1.10 0.85 0.00 -2.00 0.00 0.00 41.25 39.20 3bb1 s ASN 245 CO 0.36 -4.48 1.62 0.29 -2.94 0.00 0.00 177.10 171.95 3bb1 n LYS 246 N -5.02 0.12 -2.45 3.55 4.01 -1.26 -4.90 118.16 112.22 3bb1 n LYS 246 Ca 0.12 0.36 -0.27 0.00 -0.51 0.00 0.00 58.31 58.02 3bb1 n LYS 246 Cb 0.59 -1.74 0.02 0.00 -0.51 0.00 0.00 35.03 33.40 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 -3.79 5.72 0.64 4.39 0.01 -1.26 -5.07 113.70 114.35 3bb1 s SER 247 Ca 0.05 0.75 -0.06 0.00 1.31 0.00 0.00 55.95 58.00 3bb1 s SER 247 Cb 0.09 -1.80 0.03 0.00 0.21 0.00 0.00 66.02 64.55 3bb1 s SER 247 CO 0.34 -0.97 0.95 -1.61 0.41 0.00 0.00 173.24 172.36 3bb1 s GLU 248 N -4.94 2.59 0.04 12.44 2.02 -1.26 -5.04 118.70 124.55 3bb1 s GLU 248 Ca 0.53 -0.14 0.04 0.00 0.02 0.00 0.00 54.97 55.41 3bb1 s GLU 248 Cb -0.10 -2.24 -0.04 0.00 0.10 0.00 0.00 34.13 31.85 3bb1 s GLU 248 CO 0.45 -0.93 -0.05 -1.12 0.02 0.00 0.00 175.26 173.63 3bb1 s SER 249 N -4.40 4.76 -0.76 -0.19 0.01 -1.26 -4.87 113.70 106.99 3bb1 s SER 249 Ca 0.57 -0.16 -0.18 0.00 1.31 0.00 0.00 55.95 57.48 3bb1 s SER 249 Cb -0.11 -1.11 0.13 0.00 0.21 0.00 0.00 66.02 65.14 3bb1 s SER 249 CO 0.45 0.24 0.89 -0.63 0.41 0.00 0.00 173.24 174.60 3bb1 s ILE 250 N -1.11 4.86 0.30 1.44 -1.09 -0.85 -4.87 121.20 119.88 3bb1 s ILE 250 Ca 0.20 -1.37 -0.30 0.00 -2.23 0.00 0.00 60.65 56.95 3bb1 s ILE 250 Cb -0.11 -4.61 -0.11 0.00 -1.58 0.00 0.00 42.46 36.04 3bb1 s ILE 250 CO 0.11 -1.28 1.58 0.12 -1.23 0.00 0.00 174.94 174.23 3bb1 s PHE 251 N 2.42 2.74 -0.59 3.97 5.36 -1.26 -2.73 117.98 127.89 3bb1 s PHE 251 Ca 0.21 0.84 -0.07 0.00 -0.96 0.00 0.00 56.93 56.95 3bb1 s PHE 251 Cb -0.14 -4.06 0.15 0.00 -0.34 0.00 0.00 43.02 38.64 3bb1 s PHE 251 CO -0.01 -3.49 0.45 0.08 -1.46 0.00 0.00 175.22 170.79 3bb1 s VAL 252 N -0.15 4.25 0.43 3.12 1.01 -0.00 -4.96 120.40 124.09 3bb1 s VAL 252 Ca 0.62 -2.36 0.08 0.00 0.00 0.00 0.00 61.98 60.31 3bb1 s VAL 252 Cb -0.47 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.16 3bb1 s VAL 252 CO 0.50 -0.86 0.51 1.51 0.00 0.00 0.00 175.10 176.76 3bb1 s ASP 253 N 1.80 5.41 0.47 3.32 1.47 -1.26 0.03 116.67 127.92 3bb1 s ASP 253 Ca 0.12 -0.56 0.30 0.00 1.18 0.00 0.00 52.55 53.60 3bb1 s ASP 253 Cb -0.21 -0.58 1.14 0.00 -0.34 0.00 0.00 42.92 42.94 3bb1 s ASP 253 CO -0.04 -0.75 1.88 0.07 0.68 0.00 0.00 175.17 177.01 3bb1 h LYS 254 N 0.76 0.00 -0.95 2.11 2.10 -1.97 -0.46 116.57 118.15 3bb1 h LYS 254 Ca -0.40 0.00 0.23 0.00 -2.00 0.00 0.00 60.65 58.48 3bb1 h LYS 254 Cb 1.28 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 32.48 3bb1 h LYS 254 CO 0.49 0.00 0.51 -0.91 -2.00 0.00 0.00 179.45 177.55 3bb1 h ASN 255 N 0.00 0.55 0.00 7.07 4.21 -1.95 0.57 115.58 126.03 3bb1 h ASN 255 Ca 0.00 0.14 -0.31 0.00 1.21 0.00 0.00 56.30 57.34 3bb1 h ASN 255 Cb 0.56 0.06 -0.06 0.00 -1.12 0.00 0.00 38.32 37.76 3bb1 h ASN 255 CO 0.00 0.09 -2.29 -0.11 -1.29 0.00 0.00 177.43 173.83 3bb1 n LEU 256 N -4.93 0.00 -0.34 1.61 0.00 -0.82 -3.74 117.00 108.77 3bb1 n LEU 256 Ca 0.24 0.00 0.08 0.00 0.00 0.00 0.00 56.01 56.34 3bb1 n LEU 256 Cb 0.68 0.42 0.25 0.00 0.00 0.00 0.00 43.42 44.77 3bb1 n LEU 256 CO 0.16 0.42 1.19 0.40 0.00 0.00 0.00 177.39 179.56 3bb1 h ILE 257 N 0.00 0.83 0.00 1.96 2.04 -1.05 -3.44 117.51 117.85 3bb1 h ILE 257 Ca -0.46 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.10 3bb1 h ILE 257 Cb 2.05 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 3bb1 h ILE 257 CO 0.03 0.16 0.00 -0.90 0.00 0.00 0.00 178.15 177.43