#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bb1 s SER 3 N 0.00 -0.01 0.34 0.00 0.15 -1.26 -5.16 113.70 107.76 3bb1 s SER 3 Ca 0.00 0.29 0.09 0.00 0.70 0.00 0.00 55.95 57.03 3bb1 s SER 3 Cb 0.00 0.18 -0.06 0.00 -1.71 0.00 0.00 66.02 64.43 3bb1 s SER 3 CO 0.00 -0.16 -0.00 -1.10 1.20 0.00 0.00 173.24 173.18 3bb1 s GLN 4 N 1.28 2.04 -0.33 5.44 -0.21 -1.26 -5.10 119.66 121.52 3bb1 s GLN 4 Ca -0.08 -1.78 -0.09 0.00 0.02 0.00 0.00 55.36 53.42 3bb1 s GLN 4 Cb -0.12 -1.89 0.01 0.00 1.00 0.00 0.00 33.01 32.01 3bb1 s GLN 4 CO -0.06 0.13 0.16 -1.14 -2.12 0.00 0.00 175.29 172.26 3bb1 s GLN 5 N -3.70 3.05 0.22 2.91 2.00 -1.26 -5.07 119.66 117.80 3bb1 s GLN 5 Ca 0.35 -0.91 -0.03 0.00 -2.00 0.00 0.00 55.36 52.76 3bb1 s GLN 5 Cb 0.01 -3.59 -0.05 0.00 0.80 0.00 0.00 33.01 30.18 3bb1 s GLN 5 CO 0.19 -0.55 0.45 -1.14 -0.50 0.00 0.00 175.29 173.74 3bb1 s GLN 6 N 1.56 3.59 -0.08 1.67 2.00 -1.26 -5.09 119.66 122.05 3bb1 s GLN 6 Ca 0.03 -0.14 0.04 0.00 -2.00 0.00 0.00 55.36 53.28 3bb1 s GLN 6 Cb -0.18 -2.77 -0.01 0.00 0.80 0.00 0.00 33.01 30.85 3bb1 s GLN 6 CO 0.05 0.35 -0.20 -0.08 -0.50 0.00 0.00 175.29 174.91 3bb1 s THR 7 N -1.90 2.44 0.17 -0.34 -1.32 -1.26 -5.11 115.64 108.33 3bb1 s THR 7 Ca 0.41 -0.91 0.01 0.00 -1.21 0.00 0.00 61.69 59.99 3bb1 s THR 7 Cb -0.11 -1.94 -0.04 0.00 -1.51 0.00 0.00 72.50 68.89 3bb1 s THR 7 CO 0.28 0.56 0.04 0.68 -2.21 0.00 0.00 174.62 173.97 3bb1 s VAL 8 N -0.04 0.42 0.01 5.08 -7.23 -1.26 -5.11 120.40 112.27 3bb1 s VAL 8 Ca -0.06 -1.96 -0.25 0.00 -1.81 0.00 0.00 61.98 57.90 3bb1 s VAL 8 Cb -0.15 -2.19 -0.17 0.00 0.56 0.00 0.00 36.38 34.43 3bb1 s VAL 8 CO 0.05 -0.37 1.30 0.03 -0.31 0.00 0.00 175.10 175.79 3bb1 h ARG 9 N 2.70 -0.26 -0.35 4.82 3.08 -1.94 -3.48 114.38 118.95 3bb1 h ARG 9 Ca -0.36 0.02 -0.23 0.00 0.07 0.00 0.00 59.98 59.47 3bb1 h ARG 9 Cb 1.21 0.06 -0.34 0.00 0.08 0.00 0.00 29.97 30.98 3bb1 h ARG 9 CO 0.61 0.07 -0.91 0.41 -1.07 0.00 0.00 179.97 179.08 3bb1 n GLY 10 N -0.27 1.82 0.77 0.04 0.00 -1.26 -4.87 105.19 101.42 3bb1 n GLY 10 Ca -0.09 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.80 0.00 1.25 1.61 -0.00 -1.26 -1.50 117.44 116.74 3bb1 n TRP 11 Ca 0.01 0.00 0.13 0.00 -0.00 0.00 0.00 57.50 57.64 3bb1 n TRP 11 Cb 0.82 -0.77 0.38 0.00 -0.00 0.00 0.00 31.31 31.74 3bb1 n TRP 11 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 177.69 176.56 3bb1 n SER 12 N -0.29 1.01 0.03 5.87 3.41 -1.26 -4.12 113.62 118.27 3bb1 n SER 12 Ca 0.00 -0.88 -0.07 0.00 -0.26 0.00 0.00 58.87 57.66 3bb1 n SER 12 Cb 0.04 0.13 0.11 0.00 -0.26 0.00 0.00 64.21 64.23 3bb1 n SER 12 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3bb1 h GLY 13 N 4.93 0.48 -0.57 5.00 0.00 -1.75 -2.94 103.07 108.21 3bb1 h GLY 13 Ca 0.00 -0.52 0.26 0.00 0.00 0.00 0.00 47.33 47.07 3bb1 h GLY 13 CO 0.00 0.47 0.26 -2.22 0.00 0.00 0.00 176.54 175.04 3bb1 h ILE 14 N 0.35 0.25 -0.05 2.60 1.08 -1.72 0.63 117.51 120.64 3bb1 h ILE 14 Ca 0.02 -0.06 0.01 0.00 -0.39 0.00 0.00 64.86 64.44 3bb1 h ILE 14 Cb 0.99 0.06 -0.00 0.00 -3.07 0.00 0.00 36.82 34.80 3bb1 h ILE 14 CO 0.09 0.03 0.05 0.78 -0.69 0.00 0.00 178.15 178.41 3bb1 h ASN 15 N 0.17 0.00 0.57 1.72 2.35 -1.79 -0.11 115.58 118.49 3bb1 h ASN 15 Ca 0.60 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.35 3bb1 h ASN 15 Cb 1.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.63 3bb1 h ASN 15 CO -0.70 0.00 -0.19 0.35 -1.65 0.00 0.00 177.43 175.24 3bb1 n THR 16 N -4.01 0.00 -1.63 2.81 -2.24 0.21 -4.88 114.28 104.54 3bb1 n THR 16 Ca -0.02 -0.03 -0.30 0.00 -2.27 0.00 0.00 64.05 61.44 3bb1 n THR 16 Cb 0.14 -0.09 0.10 0.00 -2.10 0.00 0.00 70.33 68.38 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 -2.77 2.81 0.39 4.78 0.08 -0.06 -4.98 117.98 118.24 3bb1 s PHE 17 Ca 0.20 1.01 -0.28 0.00 0.12 0.00 0.00 56.93 57.98 3bb1 s PHE 17 Cb 0.19 -3.23 -0.11 0.00 -0.57 0.00 0.00 43.02 39.30 3bb1 s PHE 17 CO 0.55 -1.87 1.48 0.00 -0.10 0.00 0.00 175.22 175.29 3bb1 s ALA 18 N -3.26 3.52 0.24 5.36 0.00 -1.26 -4.75 121.76 121.61 3bb1 s ALA 18 Ca 0.61 1.56 -0.16 0.00 0.00 0.00 0.00 51.96 53.98 3bb1 s ALA 18 Cb -0.14 -3.61 0.27 0.00 0.00 0.00 0.00 23.12 19.65 3bb1 s ALA 18 CO 0.53 -1.09 1.56 -1.35 0.00 0.00 0.00 175.76 175.41 3bb1 h PRO 19 N 2.89 -0.02 -0.64 0.00 0.11 -1.93 0.22 132.00 132.64 3bb1 h PRO 19 Ca -0.51 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.62 3bb1 h PRO 19 Cb 1.24 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 3bb1 h PRO 19 CO 0.64 -0.01 0.40 0.00 -0.21 0.00 0.00 178.00 178.82 3bb1 h ALA 20 N 1.47 0.82 -0.12 -0.75 0.00 -1.90 -0.74 119.26 118.04 3bb1 h ALA 20 Ca 0.36 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.28 3bb1 h ALA 20 Cb 0.62 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3bb1 h ALA 20 CO -0.96 0.18 -0.10 1.15 0.00 0.00 0.00 179.25 179.52 3bb1 h THR 21 N 0.81 0.70 -0.47 0.00 2.02 -1.71 -2.76 112.91 111.51 3bb1 h THR 21 Ca 0.25 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.50 3bb1 h THR 21 Cb -0.03 0.70 -0.06 0.00 -1.74 0.00 0.00 68.15 67.02 3bb1 h THR 21 CO -0.08 0.00 0.13 1.56 0.37 0.00 0.00 175.52 177.50 3bb1 h GLN 22 N -0.12 0.27 -0.90 6.66 4.20 0.47 0.21 115.11 125.90 3bb1 h GLN 22 Ca 0.08 -0.02 0.17 0.00 0.06 0.00 0.00 58.65 58.94 3bb1 h GLN 22 Cb 0.24 -0.06 -0.07 0.00 0.30 0.00 0.00 27.48 27.88 3bb1 h GLN 22 CO -0.20 0.18 0.58 1.15 -0.67 0.00 0.00 178.83 179.88 3bb1 h THR 23 N 0.28 0.78 0.04 -0.54 2.02 -1.30 0.16 112.91 114.34 3bb1 h THR 23 Ca 0.23 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 3bb1 h THR 23 Cb 0.26 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 3bb1 h THR 23 CO -0.26 0.11 -0.02 0.11 0.37 0.00 0.00 175.52 175.83 3bb1 h LYS 24 N 0.62 -0.05 -0.57 6.66 1.57 -0.35 -2.24 116.57 122.20 3bb1 h LYS 24 Ca 0.47 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 59.37 3bb1 h LYS 24 Cb 0.87 0.01 -0.10 0.00 0.08 0.00 0.00 32.23 33.09 3bb1 h LYS 24 CO -0.22 0.59 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.14 3bb1 h LEU 25 N -0.76 -0.33 -1.22 2.94 4.07 -0.92 -0.71 115.31 118.40 3bb1 h LEU 25 Ca -0.01 0.15 -0.05 0.00 0.08 0.00 0.00 57.88 58.05 3bb1 h LEU 25 Cb 0.66 0.28 -0.02 0.00 1.08 0.00 0.00 40.66 42.66 3bb1 h LEU 25 CO 0.01 -0.13 -0.03 -0.07 -1.08 0.00 0.00 178.44 177.14 3bb1 h LEU 26 N 0.08 0.47 -1.47 1.67 3.38 -0.72 0.20 115.31 118.93 3bb1 h LEU 26 Ca 0.29 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 3bb1 h LEU 26 Cb 0.46 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3bb1 h LEU 26 CO -0.52 0.56 -0.23 -0.08 0.09 0.00 0.00 178.44 178.26 3bb1 h GLU 27 N 0.48 0.00 0.15 1.13 4.81 -0.64 -1.76 114.58 118.75 3bb1 h GLU 27 Ca 0.10 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.07 3bb1 h GLU 27 Cb 0.36 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.75 3bb1 h GLU 27 CO 0.01 0.23 -1.27 -0.07 -0.73 0.00 0.00 179.01 177.18 3bb1 h LEU 28 N 0.00 0.49 -0.96 1.64 3.38 0.60 -2.23 115.31 118.23 3bb1 h LEU 28 Ca -0.00 -0.90 0.19 0.00 0.09 0.00 0.00 57.88 57.25 3bb1 h LEU 28 Cb 0.57 -0.16 -0.11 0.00 0.09 0.00 0.00 40.66 41.05 3bb1 h LEU 28 CO 0.03 1.58 0.55 -0.07 0.09 0.00 0.00 178.44 180.61 3bb1 h LEU 29 N -0.23 0.67 0.00 1.67 3.38 -0.65 -1.55 115.31 118.61 3bb1 h LEU 29 Ca -0.25 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3bb1 h LEU 29 Cb 1.81 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.56 3bb1 h LEU 29 CO 0.13 0.22 -0.00 1.23 0.09 0.00 0.00 178.44 180.10 3bb1 h GLY 30 N 0.68 -0.00 0.26 0.83 0.00 -1.19 -1.65 103.07 101.99 3bb1 h GLY 30 Ca 0.56 0.00 0.12 0.00 0.00 0.00 0.00 47.33 48.01 3bb1 h GLY 30 CO -0.40 -0.00 0.31 3.43 0.00 0.00 0.00 176.54 179.87 3bb1 h ASN 31 N -0.08 0.32 0.09 0.19 4.21 -0.67 0.30 115.58 119.95 3bb1 h ASN 31 Ca -0.00 0.09 -0.00 0.00 1.21 0.00 0.00 56.30 57.60 3bb1 h ASN 31 Cb 0.08 0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.33 3bb1 h ASN 31 CO 0.00 0.15 -0.04 -0.07 -1.29 0.00 0.00 177.43 176.18 3bb1 h LEU 32 N 0.48 -0.10 -0.13 1.61 3.38 -1.23 -2.38 115.31 116.94 3bb1 h LEU 32 Ca 0.39 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.37 3bb1 h LEU 32 Cb 0.53 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 3bb1 h LEU 32 CO -0.36 -0.04 -0.14 0.11 0.09 0.00 0.00 178.44 178.11 3bb1 h LYS 33 N -0.16 -0.16 -1.42 1.13 1.79 0.02 0.64 116.57 118.40 3bb1 h LYS 33 Ca -0.01 0.01 0.44 0.00 -2.18 0.00 0.00 60.65 58.91 3bb1 h LYS 33 Cb 0.13 0.04 -0.11 0.00 -1.58 0.00 0.00 32.23 30.71 3bb1 h LYS 33 CO 0.02 -0.11 0.96 0.37 -1.08 0.00 0.00 179.45 179.61 3bb1 h GLN 34 N -0.17 0.08 -0.82 3.15 4.15 -0.15 0.58 115.11 121.93 3bb1 h GLN 34 Ca 0.09 -0.00 -0.38 0.00 0.77 0.00 0.00 58.65 59.13 3bb1 h GLN 34 Cb 0.30 -0.02 -0.22 0.00 0.21 0.00 0.00 27.48 27.75 3bb1 h GLN 34 CO -0.23 0.05 0.44 0.39 -1.93 0.00 0.00 178.83 177.55 3bb1 n GLU 35 N -4.48 2.64 -1.82 1.69 -0.58 -0.42 -4.93 120.64 112.75 3bb1 n GLU 35 Ca 0.37 -3.06 -0.16 0.00 -0.42 0.00 0.00 57.16 53.89 3bb1 n GLU 35 Cb 1.49 -2.14 -0.05 0.00 -0.57 0.00 0.00 31.44 30.18 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 -0.85 -4.45 -4.38 1.62 8.00 0.20 -4.92 116.55 111.77 3bb1 n ASP 36 Ca 0.50 0.29 -0.45 0.00 0.71 0.00 0.00 54.79 55.84 3bb1 n ASP 36 Cb 1.50 -3.93 -0.03 0.00 -0.02 0.00 0.00 41.12 38.64 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 -2.53 5.01 -2.16 2.53 1.01 0.08 -4.87 120.40 119.47 3bb1 s VAL 37 Ca 0.00 -1.55 0.26 0.00 0.00 0.00 0.00 61.98 60.69 3bb1 s VAL 37 Cb 0.00 -4.57 0.26 0.00 0.00 0.00 0.00 36.38 32.07 3bb1 s VAL 37 CO 0.00 -1.21 1.45 0.59 0.00 0.00 0.00 175.10 175.94 3bb1 n ASN 38 N 5.76 1.64 -3.48 3.32 3.02 -1.26 -3.21 115.26 121.05 3bb1 n ASN 38 Ca 0.06 -1.33 -0.10 0.00 -0.03 0.00 0.00 54.58 53.18 3bb1 n ASN 38 Cb 0.45 0.17 -0.02 0.00 -0.61 0.00 0.00 39.78 39.77 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 -2.31 -0.43 -0.07 6.41 1.04 -1.26 -1.84 113.70 115.23 3bb1 s SER 39 Ca 0.27 0.04 -0.03 0.00 0.48 0.00 0.00 55.95 56.70 3bb1 s SER 39 Cb 0.19 0.45 0.04 0.00 0.10 0.00 0.00 66.02 66.80 3bb1 s SER 39 CO 0.46 -0.71 0.16 -0.22 0.98 0.00 0.00 173.24 173.91 3bb1 s LEU 40 N -2.46 0.63 -0.15 2.42 2.96 -0.42 -4.94 118.68 116.72 3bb1 s LEU 40 Ca 0.03 0.33 -0.03 0.00 -0.22 0.00 0.00 54.13 54.25 3bb1 s LEU 40 Cb -0.01 0.41 -0.02 0.00 0.50 0.00 0.00 46.19 47.06 3bb1 s LEU 40 CO -0.09 -0.16 -0.06 -0.89 -1.32 0.00 0.00 176.35 173.83 3bb1 s THR 41 N 1.25 3.64 -0.18 3.68 2.01 -1.25 -0.98 115.64 123.81 3bb1 s THR 41 Ca -0.09 -0.45 0.01 0.00 0.31 0.00 0.00 61.69 61.47 3bb1 s THR 41 Cb -0.11 -2.58 0.03 0.00 0.01 0.00 0.00 72.50 69.85 3bb1 s THR 41 CO -0.06 0.50 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.58 3bb1 s ILE 42 N 0.39 1.83 -0.24 1.82 1.01 -0.23 -1.19 121.20 124.61 3bb1 s ILE 42 Ca -0.06 -0.92 -0.14 0.00 0.00 0.00 0.00 60.65 59.53 3bb1 s ILE 42 Cb -0.15 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 3bb1 s ILE 42 CO 0.04 0.39 0.33 -0.22 0.00 0.00 0.00 174.94 175.48 3bb1 s LEU 43 N 1.36 4.10 -0.30 2.97 2.96 -0.08 -0.25 118.68 129.43 3bb1 s LEU 43 Ca 0.03 0.33 -0.08 0.00 -0.22 0.00 0.00 54.13 54.19 3bb1 s LEU 43 Cb -0.14 -2.38 0.01 0.00 0.50 0.00 0.00 46.19 44.17 3bb1 s LEU 43 CO -0.11 -0.09 0.10 -0.69 -1.32 0.00 0.00 176.35 174.25 3bb1 s VAL 44 N 1.56 4.12 0.11 1.68 1.01 -0.13 -0.24 120.40 128.52 3bb1 s VAL 44 Ca 0.15 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.52 3bb1 s VAL 44 Cb -0.15 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 3bb1 s VAL 44 CO 0.08 0.07 -0.09 -0.04 0.00 0.00 0.00 175.10 175.12 3bb1 s MET 45 N 1.53 0.90 0.00 2.72 -1.94 -0.77 -2.97 119.30 118.76 3bb1 s MET 45 Ca 0.03 -1.28 0.00 0.00 -1.71 0.00 0.00 55.69 52.73 3bb1 s MET 45 Cb -0.17 -0.48 0.00 0.00 2.01 0.00 0.00 34.83 36.19 3bb1 s MET 45 CO 0.03 0.06 0.00 0.41 -0.01 0.00 0.00 175.02 175.51 3bb1 n GLY 46 N 0.22 -0.48 3.30 -0.03 0.00 -1.26 -1.62 105.19 105.31 3bb1 n GLY 46 Ca -0.14 -1.05 -0.34 0.00 0.00 0.00 0.00 46.02 44.50 3bb1 n GLY 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3bb1 n LYS 47 N -0.30 -0.31 -3.13 1.61 5.02 -1.26 0.11 118.16 119.90 3bb1 n LYS 47 Ca 0.00 -0.06 -0.32 0.00 -2.02 0.00 0.00 58.31 55.91 3bb1 n LYS 47 Cb 0.00 -1.63 -0.05 0.00 -0.02 0.00 0.00 35.03 33.33 3bb1 n LYS 47 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3bb1 s GLY 48 N -1.74 2.19 -0.96 0.72 0.00 -1.26 -4.10 107.32 102.17 3bb1 s GLY 48 Ca 0.52 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 45.13 3bb1 s GLY 48 CO 0.71 0.07 0.00 0.61 0.00 0.00 0.00 173.10 174.49 3bb1 n GLY 49 N -0.60 0.17 0.44 0.20 0.00 -1.26 -4.92 105.19 99.22 3bb1 n GLY 49 Ca 0.02 -0.45 0.06 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.76 0.00 0.00 1.61 0.24 -1.26 -4.98 118.33 110.18 3bb1 n VAL 50 Ca -0.12 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 3bb1 n VAL 50 Cb 0.55 1.23 0.00 0.00 -1.47 0.00 0.00 33.84 34.15 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 0.79 1.90 0.12 7.63 0.00 -1.26 -4.50 105.19 109.87 3bb1 n GLY 51 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 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 0.06 0.12 1.61 1.57 -1.94 -2.32 116.57 115.68 3bb1 h LYS 52 Ca 0.00 -0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.50 3bb1 h LYS 52 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3bb1 h LYS 52 CO 0.00 0.04 -1.26 0.77 -0.57 0.00 0.00 179.45 178.43 3bb1 h SER 53 N 0.06 0.40 -0.80 0.86 0.02 -1.91 -2.02 113.55 110.16 3bb1 h SER 53 Ca 0.12 -0.44 0.08 0.00 -0.84 0.00 0.00 61.79 60.71 3bb1 h SER 53 Cb 0.16 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 62.51 3bb1 h SER 53 CO -0.22 1.35 0.47 0.28 -1.14 0.00 0.00 176.83 177.57 3bb1 h SER 54 N 0.07 0.70 -0.46 3.07 0.02 -1.86 0.88 113.55 115.97 3bb1 h SER 54 Ca -0.14 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.79 3bb1 h SER 54 Cb 1.97 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 64.38 3bb1 h SER 54 CO 0.20 0.43 0.08 0.74 -1.14 0.00 0.00 176.83 177.14 3bb1 h THR 55 N 0.82 1.25 -0.52 -2.27 2.02 -1.35 -0.24 112.91 112.62 3bb1 h THR 55 Ca 0.37 -0.90 0.00 0.00 0.77 0.00 0.00 66.41 66.65 3bb1 h THR 55 Cb 0.26 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 3bb1 h THR 55 CO -0.21 0.32 0.33 0.58 0.37 0.00 0.00 175.52 176.91 3bb1 h VAL 56 N 0.63 1.15 -0.79 3.16 2.07 -0.83 0.77 116.25 122.41 3bb1 h VAL 56 Ca 0.14 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 3bb1 h VAL 56 Cb 0.38 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 3bb1 h VAL 56 CO 0.01 0.15 0.46 0.78 0.02 0.00 0.00 177.57 178.99 3bb1 h ASN 57 N 0.71 0.96 -0.50 0.57 2.35 -0.67 -1.28 115.58 117.71 3bb1 h ASN 57 Ca 0.19 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 3bb1 h ASN 57 Cb -0.05 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.06 3bb1 h ASN 57 CO -0.04 0.75 0.27 0.28 -1.65 0.00 0.00 177.43 177.05 3bb1 h SER 58 N 1.08 0.63 -0.36 5.81 0.02 -0.65 0.48 113.55 120.56 3bb1 h SER 58 Ca 0.28 -0.09 -0.09 0.00 -0.84 0.00 0.00 61.79 61.05 3bb1 h SER 58 Cb -0.02 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 3bb1 h SER 58 CO -0.05 0.54 -0.13 0.40 -1.14 0.00 0.00 176.83 176.45 3bb1 h ILE 59 N 0.67 1.28 -0.04 3.27 2.04 -0.59 -2.99 117.51 121.16 3bb1 h ILE 59 Ca 0.18 -1.23 -0.12 0.00 1.00 0.00 0.00 64.86 64.68 3bb1 h ILE 59 Cb 0.05 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 3bb1 h ILE 59 CO -0.03 0.41 -0.54 0.40 0.00 0.00 0.00 178.15 178.39 3bb1 h ILE 60 N 0.52 1.37 -1.71 -0.67 1.08 -1.11 -3.47 117.51 113.52 3bb1 h ILE 60 Ca 0.09 -1.84 -0.21 0.00 -0.39 0.00 0.00 64.86 62.51 3bb1 h ILE 60 Cb 0.66 1.94 -0.00 0.00 -3.07 0.00 0.00 36.82 36.35 3bb1 h ILE 60 CO 0.04 0.53 -0.28 0.61 -0.69 0.00 0.00 178.15 178.37 3bb1 n GLY 61 N 0.07 -0.04 3.11 5.37 0.00 0.17 -4.07 105.19 109.79 3bb1 n GLY 61 Ca -0.02 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.50 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 -4.65 0.61 -1.23 1.61 2.02 -1.14 -4.31 118.70 111.62 3bb1 s GLU 62 Ca 0.03 -0.88 -0.20 0.00 0.02 0.00 0.00 54.97 53.95 3bb1 s GLU 62 Cb -0.01 0.23 0.04 0.00 0.10 0.00 0.00 34.13 34.49 3bb1 s GLU 62 CO 0.04 -0.15 1.72 1.03 0.02 0.00 0.00 175.26 177.92 3bb1 s ARG 63 N -3.01 3.68 -0.20 1.61 0.52 -1.26 -4.54 118.95 115.75 3bb1 s ARG 63 Ca -0.02 -1.69 0.14 0.00 -0.52 0.00 0.00 55.73 53.64 3bb1 s ARG 63 Cb 0.01 -5.46 -0.22 0.00 0.52 0.00 0.00 34.95 29.81 3bb1 s ARG 63 CO -0.06 -2.52 0.00 1.33 0.02 0.00 0.00 175.30 174.07 3bb1 n VAL 64 N 6.72 1.34 -4.36 3.52 0.24 -1.26 -4.98 118.33 119.55 3bb1 n VAL 64 Ca 0.45 -0.75 -0.24 0.00 -2.04 0.00 0.00 64.34 61.76 3bb1 n VAL 64 Cb 0.47 -0.69 -0.09 0.00 -1.47 0.00 0.00 33.84 32.06 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 -2.47 3.02 0.34 3.34 -7.23 -1.26 -5.08 120.40 111.06 3bb1 s VAL 65 Ca -0.15 -2.01 -0.27 0.00 -1.81 0.00 0.00 61.98 57.74 3bb1 s VAL 65 Cb 0.06 -2.57 -0.09 0.00 0.56 0.00 0.00 36.38 34.35 3bb1 s VAL 65 CO 0.74 -0.30 1.11 -0.44 -0.31 0.00 0.00 175.10 175.90 3bb1 s SER 66 N -3.36 6.92 -0.15 4.85 0.01 -1.26 -4.92 113.70 115.79 3bb1 s SER 66 Ca 0.29 2.25 -0.05 0.00 1.31 0.00 0.00 55.95 59.75 3bb1 s SER 66 Cb -0.07 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.52 3bb1 s SER 66 CO 0.17 -0.39 0.01 0.27 0.41 0.00 0.00 173.24 173.71 3bb1 s ILE 67 N -1.36 4.36 -0.58 1.44 -5.25 -1.26 -4.78 121.20 113.77 3bb1 s ILE 67 Ca 0.51 -0.20 -0.05 0.00 -0.99 0.00 0.00 60.65 59.93 3bb1 s ILE 67 Cb -0.29 -2.92 0.15 0.00 2.95 0.00 0.00 42.46 42.35 3bb1 s ILE 67 CO 0.37 0.50 0.42 -0.44 -1.79 0.00 0.00 174.94 174.00 3bb1 s SER 68 N 0.11 5.47 0.00 4.36 0.01 -1.26 -4.96 113.70 117.43 3bb1 s SER 68 Ca 0.02 -2.55 0.27 0.00 1.31 0.00 0.00 55.95 55.00 3bb1 s SER 68 Cb -0.13 -1.91 1.53 0.00 0.21 0.00 0.00 66.02 65.72 3bb1 s SER 68 CO 0.02 -0.47 1.96 -0.81 0.41 0.00 0.00 173.24 174.35 3bb1 n PRO 69 N 3.95 0.68 0.02 12.44 -0.05 -1.26 -4.53 135.00 146.24 3bb1 n PRO 69 Ca 0.04 0.01 0.00 0.00 -0.05 0.00 0.00 63.50 63.51 3bb1 n PRO 69 Cb 0.40 -1.50 0.00 0.00 -0.05 0.00 0.00 33.50 32.35 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 -1.11 -1.40 0.00 0.54 3.72 -1.26 -5.14 117.46 112.82 3bb1 n PHE 70 Ca 0.18 0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.66 3bb1 n PHE 70 Cb 0.14 0.65 0.00 0.00 -0.94 0.00 0.00 39.48 39.33 3bb1 n PHE 70 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3bb1 n GLN 71 N -2.58 0.00 -0.65 -1.08 6.02 -1.26 -5.13 117.38 112.70 3bb1 n GLN 71 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.96 3bb1 n GLN 71 Cb 0.00 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 3bb1 n GLN 71 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3bb1 n SER 72 N 0.00 -0.38 0.00 1.08 7.64 -1.26 -4.97 113.62 115.73 3bb1 n SER 72 Ca 0.00 -0.83 0.00 0.00 1.01 0.00 0.00 58.87 59.05 3bb1 n SER 72 Cb 0.00 0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 3bb1 n SER 72 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 3bb1 n GLU 73 N 0.00 0.00 0.00 1.43 4.07 -1.26 -4.30 120.64 120.58 3bb1 n GLU 73 Ca -0.11 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.99 3bb1 n GLU 73 Cb 0.42 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.80 3bb1 n GLU 73 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3bb1 n GLY 74 N 0.00 1.00 0.41 8.31 0.00 -1.26 -4.72 105.19 108.93 3bb1 n GLY 74 Ca 0.00 0.32 0.19 0.00 0.00 0.00 0.00 46.02 46.52 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 0.20 0.02 -3.98 1.61 -0.02 -1.26 -4.75 135.00 126.82 3bb1 n PRO 75 Ca 0.00 0.86 -0.35 0.00 -2.02 0.00 0.00 63.50 61.98 3bb1 n PRO 75 Cb 0.00 -2.17 -0.08 0.00 -0.02 0.00 0.00 33.50 31.23 3bb1 n PRO 75 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3bb1 s ARG 76 N -3.96 3.70 0.21 -0.52 0.52 -1.26 -4.79 118.95 112.84 3bb1 s ARG 76 Ca -0.02 -0.27 -0.32 0.00 -0.52 0.00 0.00 55.73 54.61 3bb1 s ARG 76 Cb 0.09 -3.18 -0.12 0.00 0.52 0.00 0.00 34.95 32.27 3bb1 s ARG 76 CO 0.31 0.50 1.73 -2.30 0.02 0.00 0.00 175.30 175.56 3bb1 n PRO 77 N 2.84 2.79 -4.49 3.54 -0.02 -1.26 -4.70 135.00 133.69 3bb1 n PRO 77 Ca -0.18 1.01 -0.34 0.00 -2.02 0.00 0.00 63.50 61.97 3bb1 n PRO 77 Cb 0.53 -2.86 -0.10 0.00 -0.02 0.00 0.00 33.50 31.05 3bb1 n PRO 77 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3bb1 s VAL 78 N 1.20 4.02 -0.10 -1.45 1.01 -0.87 -4.99 120.40 119.21 3bb1 s VAL 78 Ca 0.75 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 62.39 3bb1 s VAL 78 Cb -0.50 -2.67 0.01 0.00 0.00 0.00 0.00 36.38 33.22 3bb1 s VAL 78 CO 0.32 0.60 -0.19 -0.32 0.00 0.00 0.00 175.10 175.51 3bb1 s MET 79 N -0.86 2.57 -0.15 2.72 0.00 -1.26 -0.76 119.30 121.56 3bb1 s MET 79 Ca 0.13 -0.70 -0.03 0.00 0.00 0.00 0.00 55.69 55.09 3bb1 s MET 79 Cb -0.11 -2.04 -0.02 0.00 0.00 0.00 0.00 34.83 32.66 3bb1 s MET 79 CO 0.02 0.06 -0.07 0.08 0.00 0.00 0.00 175.02 175.12 3bb1 s VAL 80 N 0.63 3.63 -0.04 10.11 1.01 -0.82 -4.97 120.40 129.94 3bb1 s VAL 80 Ca -0.13 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 61.43 3bb1 s VAL 80 Cb -0.16 -2.57 -0.00 0.00 0.00 0.00 0.00 36.38 33.64 3bb1 s VAL 80 CO 0.04 0.50 -0.15 -0.44 0.00 0.00 0.00 175.10 175.04 3bb1 s SER 81 N 0.38 1.96 0.10 3.32 0.01 -1.26 -1.47 113.70 116.74 3bb1 s SER 81 Ca -0.06 -0.32 -0.04 0.00 1.31 0.00 0.00 55.95 56.84 3bb1 s SER 81 Cb -0.15 -0.55 -0.03 0.00 0.21 0.00 0.00 66.02 65.50 3bb1 s SER 81 CO 0.04 0.13 0.10 -0.13 0.41 0.00 0.00 173.24 173.79 3bb1 s ARG 82 N 0.09 0.83 -0.19 12.44 1.81 -0.02 -4.90 118.95 129.02 3bb1 s ARG 82 Ca -0.04 -1.20 -0.09 0.00 -1.72 0.00 0.00 55.73 52.68 3bb1 s ARG 82 Cb -0.11 0.28 -0.08 0.00 -0.45 0.00 0.00 34.95 34.58 3bb1 s ARG 82 CO 0.02 -0.24 -0.25 -1.13 -0.68 0.00 0.00 175.30 173.03 3bb1 n SER 83 N -0.04 1.40 0.00 0.23 3.41 -1.25 -0.59 113.62 116.79 3bb1 n SER 83 Ca -0.11 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 3bb1 n SER 83 Cb 0.62 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 3bb1 n SER 83 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3bb1 n ARG 84 N -3.83 0.00 -2.88 4.33 3.00 -0.56 -3.38 116.66 113.34 3bb1 n ARG 84 Ca -0.38 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.13 3bb1 n ARG 84 Cb 0.77 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 33.22 3bb1 n ARG 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3bb1 n ALA 85 N 4.93 5.26 -0.79 5.13 0.00 -1.26 -4.45 120.51 129.32 3bb1 n ALA 85 Ca 0.00 -4.69 0.00 0.00 0.00 0.00 0.00 53.44 48.75 3bb1 n ALA 85 Cb 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 17.90 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 0.14 0.86 3.21 0.00 0.00 -1.26 -5.04 105.19 103.09 3bb1 n GLY 86 Ca 0.37 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.36 2.78 -0.21 1.61 5.36 -1.22 -4.84 117.98 118.10 3bb1 s PHE 87 Ca 0.00 -1.28 -0.08 0.00 -0.96 0.00 0.00 56.93 54.62 3bb1 s PHE 87 Cb 0.00 -1.91 -0.04 0.00 -0.34 0.00 0.00 43.02 40.73 3bb1 s PHE 87 CO 0.00 -0.61 0.07 0.99 -1.46 0.00 0.00 175.22 174.21 3bb1 s THR 88 N 1.03 4.73 -0.25 0.12 2.01 -0.77 -4.10 115.64 118.41 3bb1 s THR 88 Ca -0.01 -0.05 -0.07 0.00 0.31 0.00 0.00 61.69 61.86 3bb1 s THR 88 Cb -0.15 -3.16 -0.03 0.00 0.01 0.00 0.00 72.50 69.18 3bb1 s THR 88 CO -0.05 0.41 0.07 -0.22 -0.69 0.00 0.00 174.62 174.15 3bb1 s LEU 89 N 0.76 3.48 -0.20 4.42 2.96 0.24 -1.30 118.68 129.05 3bb1 s LEU 89 Ca 0.04 -0.18 -0.01 0.00 -0.22 0.00 0.00 54.13 53.76 3bb1 s LEU 89 Cb -0.13 -1.93 0.01 0.00 0.50 0.00 0.00 46.19 44.63 3bb1 s LEU 89 CO 0.02 -0.02 -0.12 0.20 -1.32 0.00 0.00 176.35 175.11 3bb1 s ASN 90 N 1.54 3.70 -0.13 3.68 0.01 -0.15 -0.84 114.94 122.74 3bb1 s ASN 90 Ca 0.06 -0.52 -0.00 0.00 -0.71 0.00 0.00 52.86 51.68 3bb1 s ASN 90 Cb -0.15 -1.60 0.03 0.00 0.41 0.00 0.00 41.25 39.94 3bb1 s ASN 90 CO 0.04 -0.01 -0.07 -0.51 -1.51 0.00 0.00 177.10 175.05 3bb1 s ILE 91 N 1.36 1.05 -0.47 0.60 2.07 -0.54 -1.06 121.20 124.21 3bb1 s ILE 91 Ca 0.05 -0.42 -0.16 0.00 -1.41 0.00 0.00 60.65 58.71 3bb1 s ILE 91 Cb -0.14 -1.13 0.06 0.00 0.13 0.00 0.00 42.46 41.38 3bb1 s ILE 91 CO -0.08 0.28 0.43 -0.63 -1.91 0.00 0.00 174.94 173.02 3bb1 s ILE 92 N 1.68 5.17 0.36 2.00 1.01 0.65 -1.95 121.20 130.11 3bb1 s ILE 92 Ca 0.03 -0.88 -0.25 0.00 0.00 0.00 0.00 60.65 59.55 3bb1 s ILE 92 Cb -0.14 -4.13 -0.10 0.00 0.01 0.00 0.00 42.46 38.11 3bb1 s ILE 92 CO -0.08 -0.58 0.99 -0.62 0.00 0.00 0.00 174.94 174.65 3bb1 s ASP 93 N 2.46 7.10 0.03 3.58 2.15 0.06 -0.95 116.67 131.10 3bb1 s ASP 93 Ca 0.06 1.92 0.00 0.00 0.43 0.00 0.00 52.55 54.97 3bb1 s ASP 93 Cb -0.22 -2.58 -0.03 0.00 -0.30 0.00 0.00 42.92 39.79 3bb1 s ASP 93 CO 0.08 -0.24 -0.04 0.42 -0.17 0.00 0.00 175.17 175.22 3bb1 s THR 94 N -1.65 0.23 0.81 1.71 -4.23 -1.16 -2.06 115.64 109.30 3bb1 s THR 94 Ca 0.53 -1.19 -0.11 0.00 -1.18 0.00 0.00 61.69 59.75 3bb1 s THR 94 Cb -0.20 -0.66 0.08 0.00 1.34 0.00 0.00 72.50 73.06 3bb1 s THR 94 CO 0.25 -0.61 1.10 -2.16 -0.54 0.00 0.00 174.62 172.66 3bb1 s PRO 95 N -2.13 1.90 0.15 3.99 0.04 -1.26 -4.84 135.00 132.84 3bb1 s PRO 95 Ca -0.09 1.20 -0.34 0.00 0.04 0.00 0.00 61.00 61.81 3bb1 s PRO 95 Cb -0.05 -1.85 -0.15 0.00 0.04 0.00 0.00 34.50 32.49 3bb1 s PRO 95 CO -0.03 -1.91 1.48 0.41 0.04 0.00 0.00 177.00 177.00 3bb1 n GLY 96 N -0.92 0.87 0.14 0.56 0.00 -1.26 -4.65 105.19 99.94 3bb1 n GLY 96 Ca 0.09 0.65 0.13 0.00 0.00 0.00 0.00 46.02 46.89 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 5.29 0.00 -8.75 0.99 3.38 -0.58 -3.44 115.31 112.20 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 1.28 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.78 3bb1 h LEU 97 CO 0.84 0.00 -0.78 -0.63 0.09 0.00 0.00 178.44 177.96 3bb1 s ILE 98 N -3.23 2.94 -0.02 1.22 -1.09 -1.26 -1.05 121.20 118.72 3bb1 s ILE 98 Ca 0.08 -0.74 -0.05 0.00 -2.23 0.00 0.00 60.65 57.71 3bb1 s ILE 98 Cb 0.10 -2.18 0.00 0.00 -1.58 0.00 0.00 42.46 38.81 3bb1 s ILE 98 CO 0.54 0.56 0.10 -0.70 -1.23 0.00 0.00 174.94 174.21 3bb1 s GLU 99 N -0.27 0.29 4.62 2.79 -6.30 -0.42 -4.12 118.70 115.30 3bb1 s GLU 99 Ca 0.01 -0.16 0.00 0.00 -2.50 0.00 0.00 54.97 52.33 3bb1 s GLU 99 Cb -0.13 0.12 0.00 0.00 0.00 0.00 0.00 34.13 34.12 3bb1 s GLU 99 CO 0.03 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.66 3bb1 n GLY 100 N 2.24 1.23 0.22 -1.50 0.00 -1.26 -2.83 105.19 103.29 3bb1 n GLY 100 Ca -0.18 -0.74 0.13 0.00 0.00 0.00 0.00 46.02 45.23 3bb1 n GLY 100 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3bb1 h GLY 101 N 0.00 0.00 -2.28 -0.02 0.00 -2.04 -3.48 103.07 95.25 3bb1 h GLY 101 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 3bb1 h GLY 101 CO 0.00 0.00 -0.60 -2.52 0.00 0.00 0.00 176.54 173.42 3bb1 s TYR 102 N -3.29 1.50 0.20 5.60 1.13 -1.13 -4.87 117.35 116.48 3bb1 s TYR 102 Ca 0.06 -1.26 -0.32 0.00 -1.41 0.00 0.00 57.07 54.14 3bb1 s TYR 102 Cb 0.06 -0.84 -0.15 0.00 -1.10 0.00 0.00 41.96 39.94 3bb1 s TYR 102 CO 0.63 -0.43 1.22 -0.89 -2.51 0.00 0.00 175.55 173.58 3bb1 n ILE 103 N -0.47 0.98 -2.68 -3.49 -0.00 -1.26 -1.29 119.36 111.15 3bb1 n ILE 103 Ca 0.01 -0.25 -0.42 0.00 -0.00 0.00 0.00 62.75 62.09 3bb1 n ILE 103 Cb 0.66 -1.04 -0.03 0.00 -0.00 0.00 0.00 39.64 39.23 3bb1 n ILE 103 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.55 176.76 3bb1 s ASN 104 N 0.05 6.22 0.45 4.38 3.84 -0.21 -4.77 114.94 124.89 3bb1 s ASN 104 Ca 0.71 -0.81 0.16 0.00 0.21 0.00 0.00 52.86 53.12 3bb1 s ASN 104 Cb -0.78 -2.50 1.02 0.00 -0.55 0.00 0.00 41.25 38.43 3bb1 s ASN 104 CO 0.52 -1.63 1.98 0.44 -2.79 0.00 0.00 177.10 175.62 3bb1 h ASP 105 N 9.79 0.00 0.05 -4.21 3.32 -1.91 -0.98 116.42 122.46 3bb1 h ASP 105 Ca -0.22 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.84 3bb1 h ASP 105 Cb 1.05 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.57 3bb1 h ASP 105 CO 1.25 0.20 -0.32 -0.03 -1.72 0.00 0.00 179.24 178.62 3bb1 h MET 106 N 0.00 -0.42 0.08 3.56 4.05 -1.99 -2.25 114.93 117.96 3bb1 h MET 106 Ca -0.00 0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.44 3bb1 h MET 106 Cb 0.37 0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.27 3bb1 h MET 106 CO 0.03 -0.28 -0.07 0.00 0.23 0.00 0.00 176.91 176.82 3bb1 h ALA 107 N -0.92 -0.84 -0.99 0.39 0.00 -1.78 -2.61 119.26 112.52 3bb1 h ALA 107 Ca -0.00 -0.03 0.31 0.00 0.00 0.00 0.00 54.91 55.20 3bb1 h ALA 107 Cb 0.45 0.29 -0.18 0.00 0.00 0.00 0.00 17.79 18.34 3bb1 h ALA 107 CO -0.19 -0.84 0.17 -0.11 0.00 0.00 0.00 179.25 178.29 3bb1 n LEU 108 N -2.68 0.02 -0.04 0.00 7.94 -0.42 -0.31 117.00 121.51 3bb1 n LEU 108 Ca -0.02 1.67 -0.13 0.00 -1.11 0.00 0.00 56.01 56.42 3bb1 n LEU 108 Cb 0.07 -0.67 -0.09 0.00 0.53 0.00 0.00 43.42 43.26 3bb1 n LEU 108 CO 0.04 -1.74 0.57 0.78 -1.11 0.00 0.00 177.39 175.93 3bb1 h ASN 109 N 0.00 0.27 -0.67 1.96 -0.26 -1.32 -1.20 115.58 114.35 3bb1 h ASN 109 Ca 0.67 -0.54 0.13 0.00 -0.56 0.00 0.00 56.30 56.00 3bb1 h ASN 109 Cb 1.53 -0.08 -0.13 0.00 -1.06 0.00 0.00 38.32 38.58 3bb1 h ASN 109 CO -0.88 0.75 -0.24 0.40 -1.06 0.00 0.00 177.43 176.40 3bb1 h ILE 110 N -0.21 0.24 -0.61 2.81 5.03 -0.27 0.26 117.51 124.75 3bb1 h ILE 110 Ca 0.01 0.00 0.08 0.00 -0.12 0.00 0.00 64.86 64.83 3bb1 h ILE 110 Cb 0.70 0.24 -0.06 0.00 -3.03 0.00 0.00 36.82 34.66 3bb1 h ILE 110 CO 0.03 0.00 0.27 0.40 -0.68 0.00 0.00 178.15 178.17 3bb1 h ILE 111 N -0.06 0.84 0.01 -0.67 2.04 -1.20 0.78 117.51 119.24 3bb1 h ILE 111 Ca 0.30 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.99 3bb1 h ILE 111 Cb 0.53 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 3bb1 h ILE 111 CO -0.72 0.09 -0.00 0.11 0.00 0.00 0.00 178.15 177.63 3bb1 h LYS 112 N 0.49 -0.01 -0.27 2.37 1.57 0.40 -1.50 116.57 119.61 3bb1 h LYS 112 Ca 0.30 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.12 3bb1 h LYS 112 Cb 0.31 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 3bb1 h LYS 112 CO -0.26 0.23 0.03 0.77 -0.57 0.00 0.00 179.45 179.65 3bb1 h SER 113 N -0.25 -0.05 -0.96 0.86 0.02 -0.55 -2.34 113.55 110.28 3bb1 h SER 113 Ca -0.00 0.05 0.11 0.00 -0.84 0.00 0.00 61.79 61.11 3bb1 h SER 113 Cb 0.24 0.08 -0.07 0.00 0.14 0.00 0.00 62.40 62.79 3bb1 h SER 113 CO 0.00 0.01 0.61 0.15 -1.14 0.00 0.00 176.83 176.46 3bb1 h PHE 114 N 0.12 1.06 0.00 3.45 3.57 -0.76 -2.00 116.94 122.38 3bb1 h PHE 114 Ca 0.13 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.66 3bb1 h PHE 114 Cb 0.15 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.55 3bb1 h PHE 114 CO -0.19 0.46 0.00 -0.07 -2.23 0.00 0.00 178.31 176.29 3bb1 h LEU 115 N 0.96 0.00 -8.16 0.59 3.38 -0.76 -3.46 115.31 107.87 3bb1 h LEU 115 Ca 0.45 0.00 -0.76 0.00 0.09 0.00 0.00 57.88 57.67 3bb1 h LEU 115 Cb 0.43 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.20 3bb1 h LEU 115 CO -0.21 0.00 0.36 0.18 0.09 0.00 0.00 178.44 178.85 3bb1 n LEU 116 N -2.96 0.57 0.00 1.67 4.77 -0.75 -0.09 117.00 120.21 3bb1 n LEU 116 Ca 0.03 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 57.08 3bb1 n LEU 116 Cb 0.43 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 3bb1 n LEU 116 CO 0.31 -1.22 0.00 0.47 -1.33 0.00 0.00 177.39 175.61 3bb1 n ASP 117 N 2.55 0.00 -4.90 -1.43 8.00 0.25 -5.00 116.55 116.03 3bb1 n ASP 117 Ca 0.23 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.45 3bb1 n ASP 117 Cb 0.01 -0.05 0.05 0.00 -0.02 0.00 0.00 41.12 41.11 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 2.71 0.04 -1.24 1.02 0.88 -4.83 119.74 118.31 3bb1 s LYS 118 Ca 0.00 0.23 0.08 0.00 0.02 0.00 0.00 55.97 56.29 3bb1 s LYS 118 Cb 0.00 -2.09 -0.03 0.00 -0.52 0.00 0.00 37.83 35.19 3bb1 s LYS 118 CO 0.00 -1.03 -0.21 0.99 -0.92 0.00 0.00 175.35 174.18 3bb1 s THR 119 N -3.28 2.58 -0.35 2.17 2.01 -1.26 -1.39 115.64 116.12 3bb1 s THR 119 Ca 0.58 -1.23 -0.09 0.00 0.31 0.00 0.00 61.69 61.27 3bb1 s THR 119 Cb -0.11 -2.05 0.03 0.00 0.01 0.00 0.00 72.50 70.38 3bb1 s THR 119 CO 0.49 0.37 0.15 -0.63 -0.69 0.00 0.00 174.62 174.31 3bb1 s ILE 120 N -0.87 4.16 0.04 1.82 1.01 0.69 -4.63 121.20 123.42 3bb1 s ILE 120 Ca 0.13 -0.98 -0.01 0.00 0.00 0.00 0.00 60.65 59.80 3bb1 s ILE 120 Cb -0.10 -3.33 -0.27 0.00 0.01 0.00 0.00 42.46 38.78 3bb1 s ILE 120 CO 0.04 -0.19 1.00 0.44 0.00 0.00 0.00 174.94 176.23 3bb1 h ASP 121 N 8.32 0.31 -3.53 3.58 3.32 -1.47 -1.97 116.42 124.99 3bb1 h ASP 121 Ca -0.25 -0.39 -0.17 0.00 0.02 0.00 0.00 57.03 56.24 3bb1 h ASP 121 Cb 1.09 -0.10 -0.28 0.00 0.22 0.00 0.00 39.33 40.27 3bb1 h ASP 121 CO 0.63 1.32 -0.42 -0.69 -1.72 0.00 0.00 179.24 178.36 3bb1 s VAL 122 N -2.64 -0.02 -0.26 -1.35 1.01 -0.77 -4.72 120.40 111.65 3bb1 s VAL 122 Ca -0.06 0.08 -0.14 0.00 0.00 0.00 0.00 61.98 61.87 3bb1 s VAL 122 Cb 0.07 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 3bb1 s VAL 122 CO 0.86 0.03 0.32 -0.22 0.00 0.00 0.00 175.10 176.09 3bb1 s LEU 123 N 0.82 4.05 -0.47 3.92 2.96 0.81 -0.90 118.68 129.87 3bb1 s LEU 123 Ca -0.06 0.24 -0.16 0.00 -0.22 0.00 0.00 54.13 53.93 3bb1 s LEU 123 Cb -0.07 -2.35 0.06 0.00 0.50 0.00 0.00 46.19 44.34 3bb1 s LEU 123 CO -0.05 -0.13 0.43 -0.22 -1.32 0.00 0.00 176.35 175.05 3bb1 s LEU 124 N 1.86 5.44 -0.37 -0.68 2.96 0.67 -0.55 118.68 128.01 3bb1 s LEU 124 Ca 0.13 -1.20 -0.21 0.00 -0.22 0.00 0.00 54.13 52.64 3bb1 s LEU 124 Cb -0.16 -2.23 0.01 0.00 0.50 0.00 0.00 46.19 44.31 3bb1 s LEU 124 CO 0.10 -0.67 0.65 -0.47 -1.32 0.00 0.00 176.35 174.64 3bb1 s TYR 125 N 1.83 3.13 -0.00 5.38 6.14 0.95 -1.85 117.35 132.93 3bb1 s TYR 125 Ca 0.06 0.30 0.02 0.00 0.64 0.00 0.00 57.07 58.09 3bb1 s TYR 125 Cb -0.23 -3.20 -0.04 0.00 0.42 0.00 0.00 41.96 38.92 3bb1 s TYR 125 CO 0.08 -0.68 -0.02 0.08 0.64 0.00 0.00 175.55 175.65 3bb1 s VAL 126 N 2.76 3.99 0.38 3.14 1.01 -0.64 -0.30 120.40 130.74 3bb1 s VAL 126 Ca 0.25 -0.65 -0.10 0.00 0.00 0.00 0.00 61.98 61.47 3bb1 s VAL 126 Cb -0.14 -2.76 0.04 0.00 0.00 0.00 0.00 36.38 33.51 3bb1 s VAL 126 CO 0.16 0.39 0.68 -0.62 0.00 0.00 0.00 175.10 175.71 3bb1 s ASP 127 N -1.49 0.39 0.08 3.32 -1.08 -1.00 -4.38 116.67 112.51 3bb1 s ASP 127 Ca 0.18 -1.31 -0.00 0.00 -0.52 0.00 0.00 52.55 50.90 3bb1 s ASP 127 Cb -0.11 0.79 -0.04 0.00 -1.46 0.00 0.00 42.92 42.10 3bb1 s ASP 127 CO 0.09 -1.57 0.24 -0.13 0.52 0.00 0.00 175.17 174.33 3bb1 s ARG 128 N -2.49 3.47 -0.07 4.34 0.52 -1.26 -1.41 118.95 122.05 3bb1 s ARG 128 Ca 0.21 -0.40 -0.19 0.00 -0.52 0.00 0.00 55.73 54.83 3bb1 s ARG 128 Cb -0.03 -3.00 -0.15 0.00 0.52 0.00 0.00 34.95 32.29 3bb1 s ARG 128 CO 0.15 0.58 0.73 1.25 0.02 0.00 0.00 175.30 178.03 3bb1 h LEU 129 N 2.94 -0.14 -5.22 2.53 5.85 -1.36 -3.35 115.31 116.56 3bb1 h LEU 129 Ca -0.45 -0.39 -0.62 0.00 0.84 0.00 0.00 57.88 57.25 3bb1 h LEU 129 Cb 1.16 0.04 0.02 0.00 0.37 0.00 0.00 40.66 42.25 3bb1 h LEU 129 CO 0.75 0.47 3.53 -0.90 -0.34 0.00 0.00 178.44 181.94 3bb1 n ASP 130 N -4.86 7.42 -4.38 1.25 5.75 -1.26 -4.82 116.55 115.65 3bb1 n ASP 130 Ca -0.07 -2.56 -0.28 0.00 -0.01 0.00 0.00 54.79 51.88 3bb1 n ASP 130 Cb 0.26 -1.47 -0.13 0.00 -1.03 0.00 0.00 41.12 38.75 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 2.57 2.32 -0.14 2.12 0.00 -1.26 -5.08 121.76 122.29 3bb1 s ALA 131 Ca 0.62 -1.46 0.06 0.00 0.00 0.00 0.00 51.96 51.17 3bb1 s ALA 131 Cb 0.16 -0.36 -0.08 0.00 0.00 0.00 0.00 23.12 22.85 3bb1 s ALA 131 CO -0.05 0.50 0.19 0.66 0.00 0.00 0.00 175.76 177.06 3bb1 n TYR 132 N 0.85 0.00 -4.07 0.00 4.01 -1.26 -4.99 117.16 111.70 3bb1 n TYR 132 Ca -0.18 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.42 3bb1 n TYR 132 Cb 0.53 -0.06 -0.14 0.00 -0.31 0.00 0.00 39.34 39.36 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 -1.94 0.32 0.06 -0.72 1.81 -1.26 -5.13 118.95 112.08 3bb1 s ARG 133 Ca 0.00 -0.18 0.02 0.00 -1.72 0.00 0.00 55.73 53.84 3bb1 s ARG 133 Cb 0.04 -0.28 -0.04 0.00 -0.45 0.00 0.00 34.95 34.22 3bb1 s ARG 133 CO 0.24 0.08 0.10 0.14 -0.68 0.00 0.00 175.30 175.17 3bb1 s VAL 134 N -0.20 4.70 0.00 3.52 -7.23 -1.26 -5.10 120.40 114.83 3bb1 s VAL 134 Ca 0.00 -0.62 0.00 0.00 -1.81 0.00 0.00 61.98 59.55 3bb1 s VAL 134 Cb -0.02 -3.24 0.00 0.00 0.56 0.00 0.00 36.38 33.68 3bb1 s VAL 134 CO -0.00 0.18 0.00 -0.90 -0.31 0.00 0.00 175.10 174.07 3bb1 n ASP 135 N 0.61 0.00 0.27 4.85 5.68 -1.26 -5.04 116.55 121.66 3bb1 n ASP 135 Ca -0.09 -0.42 0.13 0.00 -0.50 0.00 0.00 54.79 53.91 3bb1 n ASP 135 Cb 0.52 0.00 0.73 0.00 -1.14 0.00 0.00 41.12 41.23 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 0.00 0.00 0.05 -1.12 -0.73 -2.00 -2.37 115.58 109.42 3bb1 h ASN 136 Ca 0.00 0.00 0.02 0.00 1.87 0.00 0.00 56.30 58.19 3bb1 h ASN 136 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.54 3bb1 h ASN 136 CO 0.00 0.11 -0.43 -0.07 -0.37 0.00 0.00 177.43 176.67 3bb1 h LEU 137 N 0.00 -1.29 -1.01 0.34 3.38 -1.96 0.88 115.31 115.66 3bb1 h LEU 137 Ca -0.00 0.15 0.11 0.00 0.09 0.00 0.00 57.88 58.22 3bb1 h LEU 137 Cb 0.35 0.49 -0.08 0.00 0.09 0.00 0.00 40.66 41.51 3bb1 h LEU 137 CO 0.01 -0.48 0.64 0.44 0.09 0.00 0.00 178.44 179.15 3bb1 h ASP 138 N -0.62 0.96 -0.76 -0.43 3.32 -1.84 -0.48 116.42 116.58 3bb1 h ASP 138 Ca 0.03 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 3bb1 h ASP 138 Cb 0.67 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 3bb1 h ASP 138 CO -0.29 0.54 0.34 0.50 -1.72 0.00 0.00 179.24 178.62 3bb1 h LYS 139 N 1.05 1.11 -0.34 3.56 3.64 -1.15 -2.63 116.57 121.81 3bb1 h LYS 139 Ca 0.48 -0.18 -0.09 0.00 -1.27 0.00 0.00 60.65 59.59 3bb1 h LYS 139 Cb 0.40 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 3bb1 h LYS 139 CO -0.24 0.88 -0.16 -0.07 -2.27 0.00 0.00 179.45 177.59 3bb1 h LEU 140 N 1.08 0.61 -0.29 5.20 3.38 0.69 0.44 115.31 126.41 3bb1 h LEU 140 Ca 0.26 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3bb1 h LEU 140 Cb 0.15 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3bb1 h LEU 140 CO -0.03 0.79 0.11 0.58 0.09 0.00 0.00 178.44 179.98 3bb1 h VAL 141 N 0.56 1.19 -0.17 1.22 2.07 -0.93 0.23 116.25 120.42 3bb1 h VAL 141 Ca 0.09 -0.59 0.02 0.00 0.82 0.00 0.00 66.70 67.04 3bb1 h VAL 141 Cb 0.60 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 3bb1 h VAL 141 CO 0.04 0.20 0.05 0.00 0.02 0.00 0.00 177.57 177.88 3bb1 h ALA 142 N 0.94 0.18 -0.66 1.67 0.00 -1.33 0.30 119.26 120.36 3bb1 h ALA 142 Ca 0.10 0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.14 3bb1 h ALA 142 Cb 0.21 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 3bb1 h ALA 142 CO -0.01 -0.39 0.23 -0.22 0.00 0.00 0.00 179.25 178.87 3bb1 h LYS 143 N 0.13 0.38 -0.24 0.00 3.64 -0.62 -0.67 116.57 119.19 3bb1 h LYS 143 Ca 0.07 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 3bb1 h LYS 143 Cb 0.05 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3bb1 h LYS 143 CO -0.08 0.25 -0.03 0.00 -2.27 0.00 0.00 179.45 177.32 3bb1 h ALA 144 N 1.48 0.32 -0.07 5.00 0.00 0.90 0.17 119.26 127.06 3bb1 h ALA 144 Ca 0.35 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3bb1 h ALA 144 Cb 0.49 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 3bb1 h ALA 144 CO -0.37 0.08 -0.24 0.82 0.00 0.00 0.00 179.25 179.55 3bb1 h ILE 145 N 0.19 0.44 -0.56 0.00 5.03 -0.30 -2.49 117.51 119.82 3bb1 h ILE 145 Ca 0.06 0.00 0.03 0.00 -0.12 0.00 0.00 64.86 64.83 3bb1 h ILE 145 Cb 0.46 0.44 -0.04 0.00 -3.03 0.00 0.00 36.82 34.66 3bb1 h ILE 145 CO 0.02 0.00 0.34 0.74 -0.68 0.00 0.00 178.15 178.56 3bb1 h THR 146 N -0.33 1.06 -0.25 -0.27 2.02 -0.58 -1.40 112.91 113.16 3bb1 h THR 146 Ca 0.08 -0.23 -0.05 0.00 0.77 0.00 0.00 66.41 66.99 3bb1 h THR 146 Cb 0.45 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 3bb1 h THR 146 CO -0.26 0.12 -0.05 0.44 0.37 0.00 0.00 175.52 176.14 3bb1 h ASP 147 N 0.67 0.37 0.47 4.18 3.32 -0.63 -1.42 116.42 123.38 3bb1 h ASP 147 Ca 0.22 -0.07 -0.30 0.00 0.02 0.00 0.00 57.03 56.90 3bb1 h ASP 147 Cb 0.02 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3bb1 h ASP 147 CO -0.10 0.47 -1.50 0.28 -1.72 0.00 0.00 179.24 176.67 3bb1 h SER 148 N 0.38 0.39 0.00 6.45 0.02 -0.82 -3.41 113.55 116.57 3bb1 h SER 148 Ca 0.08 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 3bb1 h SER 148 Cb 0.33 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.74 3bb1 h SER 148 CO 0.01 1.43 -0.81 0.49 -1.14 0.00 0.00 176.83 176.82 3bb1 n PHE 149 N -3.46 0.00 0.00 3.45 3.72 -0.65 -4.49 117.46 116.04 3bb1 n PHE 149 Ca -0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 3bb1 n PHE 149 Cb 1.04 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 39.53 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 1.85 2.68 0.47 1.37 0.00 -0.54 -4.62 105.19 106.41 3bb1 n GLY 150 Ca -0.00 -1.70 0.31 0.00 0.00 0.00 0.00 46.02 44.62 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 0.18 -0.15 1.61 1.57 -1.92 -2.11 116.57 115.75 3bb1 h LYS 151 Ca 0.00 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3bb1 h LYS 151 Cb 0.00 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3bb1 h LYS 151 CO 0.00 0.12 0.20 0.78 -0.57 0.00 0.00 179.45 179.98 3bb1 h GLY 152 N 0.19 0.00 2.00 3.86 0.00 -1.94 -2.12 103.07 105.06 3bb1 h GLY 152 Ca 0.63 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.95 3bb1 h GLY 152 CO -0.20 0.00 -0.04 1.19 0.00 0.00 0.00 176.54 177.48 3bb1 h ILE 153 N 0.00 0.51 0.00 2.60 2.10 -1.64 -1.84 117.51 119.24 3bb1 h ILE 153 Ca 0.07 -0.20 -0.02 0.00 1.08 0.00 0.00 64.86 65.79 3bb1 h ILE 153 Cb 0.46 1.13 -0.00 0.00 -1.09 0.00 0.00 36.82 37.32 3bb1 h ILE 153 CO -0.00 0.04 -0.09 -0.50 -1.08 0.00 0.00 178.15 176.52 3bb1 h TRP 154 N 0.00 0.00 0.00 2.19 4.06 -1.61 -1.06 115.95 119.52 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 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.29 3bb1 h TRP 154 CO 0.00 0.09 0.00 0.09 -3.56 0.00 0.00 178.44 175.06 3bb1 n ASN 155 N -3.22 0.00 -0.32 -3.49 3.02 -0.69 -2.72 115.26 107.83 3bb1 n ASN 155 Ca 0.00 -0.08 0.08 0.00 -0.03 0.00 0.00 54.58 54.55 3bb1 n ASN 155 Cb 0.36 -0.27 0.15 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 -1.27 1.22 -4.33 3.52 4.76 -0.41 -4.89 118.16 116.76 3bb1 n LYS 156 Ca 0.11 -2.66 -0.34 0.00 -2.87 0.00 0.00 58.31 52.56 3bb1 n LYS 156 Cb 0.18 -1.40 -0.11 0.00 -1.84 0.00 0.00 35.03 31.87 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 -2.65 3.19 -0.07 7.82 0.00 -1.10 -0.13 121.76 128.82 3bb1 s ALA 157 Ca 0.31 -0.80 0.05 0.00 0.00 0.00 0.00 51.96 51.52 3bb1 s ALA 157 Cb 0.29 -1.57 -0.01 0.00 0.00 0.00 0.00 23.12 21.83 3bb1 s ALA 157 CO -0.01 0.38 -0.23 0.42 0.00 0.00 0.00 175.76 176.32 3bb1 s ILE 158 N -0.21 1.95 -0.18 0.00 1.01 0.28 -4.13 121.20 119.91 3bb1 s ILE 158 Ca 0.05 -0.99 -0.19 0.00 0.00 0.00 0.00 60.65 59.52 3bb1 s ILE 158 Cb -0.13 -1.66 -0.03 0.00 0.01 0.00 0.00 42.46 40.65 3bb1 s ILE 158 CO 0.02 0.54 0.52 -0.69 0.00 0.00 0.00 174.94 175.33 3bb1 s VAL 159 N 0.00 5.12 -0.16 2.92 1.01 -0.50 -0.03 120.40 128.76 3bb1 s VAL 159 Ca -0.08 0.97 0.01 0.00 0.00 0.00 0.00 61.98 62.89 3bb1 s VAL 159 Cb -0.15 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.41 3bb1 s VAL 159 CO 0.05 0.20 -0.19 0.00 0.00 0.00 0.00 175.10 175.16 3bb1 s ALA 160 N 1.46 2.15 -0.34 5.51 0.00 0.59 -1.30 121.76 129.82 3bb1 s ALA 160 Ca 0.25 -1.08 -0.09 0.00 0.00 0.00 0.00 51.96 51.03 3bb1 s ALA 160 Cb -0.15 -1.09 0.02 0.00 0.00 0.00 0.00 23.12 21.89 3bb1 s ALA 160 CO 0.10 -0.28 0.16 -0.51 0.00 0.00 0.00 175.76 175.22 3bb1 s LEU 161 N 1.24 4.40 0.00 0.00 1.43 -0.25 -2.37 118.68 123.14 3bb1 s LEU 161 Ca 0.02 -0.89 -0.11 0.00 -1.03 0.00 0.00 54.13 52.12 3bb1 s LEU 161 Cb -0.14 -1.97 0.15 0.00 0.03 0.00 0.00 46.19 44.26 3bb1 s LEU 161 CO -0.10 -0.31 0.79 0.35 0.23 0.00 0.00 176.35 177.31 3bb1 n THR 162 N 4.94 0.00 -4.17 5.49 -2.24 -0.50 -1.20 114.28 116.61 3bb1 n THR 162 Ca -0.13 -0.54 -0.30 0.00 -2.27 0.00 0.00 64.05 60.82 3bb1 n THR 162 Cb 0.47 -1.57 -0.06 0.00 -2.10 0.00 0.00 70.33 67.06 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 -3.32 -1.46 0.25 4.78 8.25 -1.05 -1.09 115.22 121.58 3bb1 n HIS 163 Ca 0.10 0.69 0.15 0.00 -0.26 0.00 0.00 57.72 58.40 3bb1 n HIS 163 Cb 0.36 -3.17 0.53 0.00 1.12 0.00 0.00 29.99 28.83 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 0.82 1.00 -1.35 -1.41 0.00 -1.35 -3.38 119.26 113.59 3bb1 h ALA 164 Ca -0.64 -0.04 -0.67 0.00 0.00 0.00 0.00 54.91 53.56 3bb1 h ALA 164 Cb 1.39 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 19.04 3bb1 h ALA 164 CO 0.69 0.06 1.49 -1.14 0.00 0.00 0.00 179.25 180.34 3bb1 s GLN 165 N -3.56 3.78 -0.00 0.00 0.74 -1.26 -4.67 119.66 114.69 3bb1 s GLN 165 Ca 0.02 -1.75 0.00 0.00 0.05 0.00 0.00 55.36 53.68 3bb1 s GLN 165 Cb 0.08 -5.24 0.00 0.00 1.10 0.00 0.00 33.01 28.95 3bb1 s GLN 165 CO 0.59 -2.04 -0.01 0.12 -0.55 0.00 0.00 175.29 173.40 3bb1 s PHE 166 N 3.63 0.15 -0.39 1.67 5.36 -1.26 -5.09 117.98 122.05 3bb1 s PHE 166 Ca 0.44 -0.01 -0.10 0.00 -0.96 0.00 0.00 56.93 56.30 3bb1 s PHE 166 Cb -0.01 -0.12 0.05 0.00 -0.34 0.00 0.00 43.02 42.60 3bb1 s PHE 166 CO -0.04 -0.02 0.22 -1.12 -1.46 0.00 0.00 175.22 172.81 3bb1 s SER 167 N 0.12 5.68 0.53 6.13 0.01 -1.26 -4.97 113.70 119.93 3bb1 s SER 167 Ca -0.01 -1.19 -0.21 0.00 1.31 0.00 0.00 55.95 55.85 3bb1 s SER 167 Cb -0.02 -2.00 -0.07 0.00 0.21 0.00 0.00 66.02 64.13 3bb1 s SER 167 CO -0.00 -0.44 0.98 -2.65 0.41 0.00 0.00 173.24 171.54 3bb1 n PRO 168 N 4.96 1.12 -1.34 12.44 -0.02 -1.26 -4.99 135.00 145.92 3bb1 n PRO 168 Ca -0.11 0.42 -0.31 0.00 -2.02 0.00 0.00 63.50 61.47 3bb1 n PRO 168 Cb 0.45 -2.12 0.09 0.00 -0.02 0.00 0.00 33.50 31.89 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 -2.43 2.31 -1.44 0.52 0.04 -1.26 -4.19 135.00 128.56 3bb1 s PRO 169 Ca 0.70 1.23 -0.06 0.00 0.04 0.00 0.00 61.00 62.91 3bb1 s PRO 169 Cb -0.47 -1.90 0.06 0.00 0.04 0.00 0.00 34.50 32.23 3bb1 s PRO 169 CO 0.52 -1.61 0.15 -3.47 0.04 0.00 0.00 177.00 172.63 3bb1 n ASP 170 N -3.33 0.14 -0.22 6.66 2.03 -1.26 -2.53 116.55 118.04 3bb1 n ASP 170 Ca 0.09 -1.11 -0.03 0.00 0.52 0.00 0.00 54.79 54.27 3bb1 n ASP 170 Cb 0.53 -1.39 -0.01 0.00 -0.72 0.00 0.00 41.12 39.53 3bb1 n ASP 170 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3bb1 n GLY 171 N -1.98 0.55 3.71 0.27 0.00 -1.26 -4.95 105.19 101.52 3bb1 n GLY 171 Ca -0.17 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.67 4.36 0.15 0.99 2.96 -1.05 -4.90 118.68 120.52 3bb1 s LEU 172 Ca 0.00 2.44 -0.31 0.00 -0.22 0.00 0.00 54.13 56.04 3bb1 s LEU 172 Cb 0.00 -3.58 -0.11 0.00 0.50 0.00 0.00 46.19 43.01 3bb1 s LEU 172 CO 0.00 -0.78 1.73 -2.84 -1.32 0.00 0.00 176.35 173.14 3bb1 s PRO 173 N 1.72 4.15 0.21 0.98 0.02 -1.26 -4.51 135.00 136.32 3bb1 s PRO 173 Ca 0.69 2.53 0.03 0.00 0.02 0.00 0.00 61.00 64.27 3bb1 s PRO 173 Cb -0.39 -3.35 0.56 0.00 0.02 0.00 0.00 34.50 31.33 3bb1 s PRO 173 CO 0.31 -0.76 1.07 0.98 -0.33 0.00 0.00 177.00 178.26 3bb1 n TYR 174 N 4.84 0.47 0.03 6.54 4.19 -1.26 0.30 117.16 132.26 3bb1 n TYR 174 Ca 0.16 0.82 -0.09 0.00 3.31 0.00 0.00 57.90 62.10 3bb1 n TYR 174 Cb 0.37 -1.03 0.06 0.00 0.49 0.00 0.00 39.34 39.23 3bb1 n TYR 174 CO 0.00 0.00 0.00 0.38 0.91 0.00 0.00 176.86 178.15 3bb1 h ASP 175 N 0.00 0.54 -0.30 2.98 2.03 -1.99 0.70 116.42 120.39 3bb1 h ASP 175 Ca 0.43 -0.31 -0.07 0.00 -0.73 0.00 0.00 57.03 56.34 3bb1 h ASP 175 Cb 0.91 -0.16 -0.01 0.00 -0.83 0.00 0.00 39.33 39.25 3bb1 h ASP 175 CO -0.63 1.02 -0.11 -0.33 -1.03 0.00 0.00 179.24 178.16 3bb1 h GLU 176 N 0.36 0.60 -0.02 4.15 5.08 -0.51 -1.85 114.58 122.38 3bb1 h GLU 176 Ca -0.01 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.12 3bb1 h GLU 176 Cb 1.15 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 3bb1 h GLU 176 CO 0.11 0.81 -0.02 0.35 -1.00 0.00 0.00 179.01 179.26 3bb1 h PHE 177 N 0.35 -0.04 -0.52 4.33 3.04 -0.70 -0.73 116.94 122.67 3bb1 h PHE 177 Ca 0.07 0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.06 3bb1 h PHE 177 Cb 0.61 0.02 -0.03 0.00 2.56 0.00 0.00 35.95 39.11 3bb1 h PHE 177 CO 0.06 -0.03 0.35 0.35 -2.02 0.00 0.00 178.31 177.01 3bb1 h PHE 178 N -0.02 0.54 0.09 0.41 3.57 -0.79 -0.28 116.94 120.45 3bb1 h PHE 178 Ca 0.02 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 3bb1 h PHE 178 Cb 0.04 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.61 3bb1 h PHE 178 CO -0.11 0.31 -0.04 1.03 -2.23 0.00 0.00 178.31 177.27 3bb1 h SER 179 N 0.55 -0.10 -0.11 0.41 0.87 -0.74 -0.40 113.55 114.02 3bb1 h SER 179 Ca 0.21 -0.43 -0.01 0.00 -1.23 0.00 0.00 61.79 60.33 3bb1 h SER 179 Cb 0.17 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.15 3bb1 h SER 179 CO -0.06 0.41 0.04 0.11 -0.53 0.00 0.00 176.83 176.80 3bb1 h LYS 180 N -0.65 0.17 -0.53 2.24 1.79 -0.64 -1.56 116.57 117.40 3bb1 h LYS 180 Ca -0.01 -0.03 0.10 0.00 -2.18 0.00 0.00 60.65 58.53 3bb1 h LYS 180 Cb 0.53 -0.03 -0.11 0.00 -1.58 0.00 0.00 32.23 31.05 3bb1 h LYS 180 CO 0.02 0.30 -0.22 -0.09 -1.08 0.00 0.00 179.45 178.39 3bb1 h ARG 181 N -0.00 -0.09 -0.08 3.15 9.65 -1.12 0.66 114.38 126.55 3bb1 h ARG 181 Ca 0.04 0.01 0.04 0.00 -1.10 0.00 0.00 59.98 58.96 3bb1 h ARG 181 Cb 0.20 0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 28.76 3bb1 h ARG 181 CO -0.00 -0.06 -0.20 0.77 2.80 0.00 0.00 179.97 183.28 3bb1 h SER 182 N -0.09 -0.62 -0.12 -3.80 0.02 -0.69 -2.08 113.55 106.17 3bb1 h SER 182 Ca 0.24 0.10 0.02 0.00 -0.84 0.00 0.00 61.79 61.31 3bb1 h SER 182 Cb 0.47 0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 3bb1 h SER 182 CO -0.59 -0.26 -0.02 -0.08 -1.14 0.00 0.00 176.83 174.74 3bb1 h GLU 183 N -0.28 0.01 -0.08 3.45 4.81 -0.21 0.11 114.58 122.39 3bb1 h GLU 183 Ca 0.08 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.35 3bb1 h GLU 183 Cb 0.40 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.72 3bb1 h GLU 183 CO -0.25 0.01 -0.40 0.00 -0.73 0.00 0.00 179.01 177.65 3bb1 h ALA 184 N 1.11 -0.57 -0.36 2.92 0.00 -0.73 -1.67 119.26 119.95 3bb1 h ALA 184 Ca 0.06 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3bb1 h ALA 184 Cb 0.08 0.73 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3bb1 h ALA 184 CO -0.11 -0.91 0.09 1.25 0.00 0.00 0.00 179.25 179.57 3bb1 h LEU 185 N -0.50 0.55 -1.00 0.00 5.85 -0.60 -2.28 115.31 117.34 3bb1 h LEU 185 Ca 0.07 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 3bb1 h LEU 185 Cb 0.62 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 3bb1 h LEU 185 CO -0.36 0.64 0.38 -0.07 -0.34 0.00 0.00 178.44 178.70 3bb1 h LEU 186 N 0.44 0.99 -0.60 2.25 3.38 -0.72 -0.98 115.31 120.07 3bb1 h LEU 186 Ca 0.11 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3bb1 h LEU 186 Cb 0.31 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3bb1 h LEU 186 CO 0.00 0.83 0.22 -0.61 0.09 0.00 0.00 178.44 178.97 3bb1 h GLN 187 N 1.09 0.91 -0.07 1.13 4.15 -0.73 -0.71 115.11 120.89 3bb1 h GLN 187 Ca 0.27 -0.18 -0.14 0.00 0.77 0.00 0.00 58.65 59.37 3bb1 h GLN 187 Cb 0.09 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 3bb1 h GLN 187 CO -0.04 0.79 -0.59 0.28 -1.93 0.00 0.00 178.83 177.34 3bb1 h VAL 188 N 0.84 1.38 0.31 2.39 2.07 -1.23 -0.72 116.25 121.29 3bb1 h VAL 188 Ca 0.20 -1.95 -0.02 0.00 0.82 0.00 0.00 66.70 65.75 3bb1 h VAL 188 Cb 0.23 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 3bb1 h VAL 188 CO -0.01 0.58 -0.15 0.58 0.02 0.00 0.00 177.57 178.58 3bb1 h VAL 189 N 0.17 0.71 -0.72 2.57 2.07 -0.82 0.91 116.25 121.14 3bb1 h VAL 189 Ca -0.00 -0.37 0.04 0.00 0.82 0.00 0.00 66.70 67.19 3bb1 h VAL 189 Cb 1.08 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 3bb1 h VAL 189 CO 0.09 0.08 0.44 0.03 0.02 0.00 0.00 177.57 178.23 3bb1 h ARG 190 N -0.62 0.81 0.10 1.57 3.08 -1.12 0.23 114.38 118.43 3bb1 h ARG 190 Ca -0.04 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 59.96 3bb1 h ARG 190 Cb 0.45 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 3bb1 h ARG 190 CO 0.07 0.54 -0.35 1.03 -1.07 0.00 0.00 179.97 180.19 3bb1 h SER 191 N 0.84 -1.04 -0.95 7.04 0.87 -1.04 0.89 113.55 120.16 3bb1 h SER 191 Ca 0.30 0.11 0.16 0.00 -1.23 0.00 0.00 61.79 61.13 3bb1 h SER 191 Cb 0.09 0.38 -0.08 0.00 -0.44 0.00 0.00 62.40 62.35 3bb1 h SER 191 CO -0.14 -0.37 0.60 1.23 -0.53 0.00 0.00 176.83 177.62 3bb1 h GLY 192 N -0.51 1.41 1.54 5.77 0.00 -0.49 -2.81 103.07 107.98 3bb1 h GLY 192 Ca -0.01 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 46.94 3bb1 h GLY 192 CO -0.18 0.05 -0.65 0.00 0.00 0.00 0.00 176.54 175.76 3bb1 h ALA 193 N 1.60 0.72 -4.11 3.60 0.00 -0.00 -3.25 119.26 117.82 3bb1 h ALA 193 Ca 0.50 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3bb1 h ALA 193 Cb 0.79 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3bb1 h ALA 193 CO -0.26 0.30 -0.08 0.43 0.00 0.00 0.00 179.25 179.64 3bb1 n SER 194 N -2.97 -4.78 0.00 0.00 7.64 0.31 -4.93 113.62 108.88 3bb1 n SER 194 Ca 0.00 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.94 3bb1 n SER 194 Cb 0.64 -3.07 0.00 0.00 -1.01 0.00 0.00 64.21 60.77 3bb1 n SER 194 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3bb1 n LEU 195 N -1.05 0.00 0.00 -3.43 4.77 -1.13 -5.06 117.00 111.10 3bb1 n LEU 195 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3bb1 n LEU 195 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3bb1 n LEU 195 CO 0.24 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 175.10 3bb1 n SER 202 N 0.00 0.00 0.09 -1.43 7.64 -1.26 -4.92 113.62 113.73 3bb1 n SER 202 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3bb1 n SER 202 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3bb1 n SER 202 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3bb1 n ASP 203 N -2.43 0.42 -4.62 6.43 2.03 -1.26 -4.99 116.55 112.12 3bb1 n ASP 203 Ca 0.00 0.29 -0.43 0.00 0.52 0.00 0.00 54.79 55.17 3bb1 n ASP 203 Cb 0.00 0.04 -0.02 0.00 -0.72 0.00 0.00 41.12 40.42 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 -1.88 4.26 0.49 5.18 1.01 -1.26 -4.98 121.20 124.01 3bb1 s ILE 204 Ca 0.00 1.38 -0.24 0.00 0.00 0.00 0.00 60.65 61.79 3bb1 s ILE 204 Cb 0.00 -4.39 -0.07 0.00 0.01 0.00 0.00 42.46 38.01 3bb1 s ILE 204 CO 0.00 -0.68 1.40 -2.84 0.00 0.00 0.00 174.94 172.82 3bb1 s PRO 205 N 4.17 3.45 -0.18 2.79 0.02 -1.26 -4.81 135.00 139.18 3bb1 s PRO 205 Ca 0.50 2.34 -0.00 0.00 0.02 0.00 0.00 61.00 63.86 3bb1 s PRO 205 Cb -0.12 -2.49 0.01 0.00 0.02 0.00 0.00 34.50 31.93 3bb1 s PRO 205 CO 0.24 -0.98 -0.16 0.08 -0.33 0.00 0.00 177.00 175.86 3bb1 s VAL 206 N -1.24 2.44 0.29 3.83 1.01 -1.26 -1.40 120.40 124.06 3bb1 s VAL 206 Ca 0.65 -0.82 0.11 0.00 0.00 0.00 0.00 61.98 61.92 3bb1 s VAL 206 Cb -0.42 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.86 3bb1 s VAL 206 CO 0.53 0.51 -0.10 0.68 0.00 0.00 0.00 175.10 176.72 3bb1 s VAL 207 N 1.25 2.83 0.07 2.92 -7.23 -0.42 -5.01 120.40 114.80 3bb1 s VAL 207 Ca 0.03 -2.16 0.07 0.00 -1.81 0.00 0.00 61.98 58.11 3bb1 s VAL 207 Cb -0.14 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 3bb1 s VAL 207 CO -0.08 -0.35 -0.14 -0.76 -0.31 0.00 0.00 175.10 173.46 3bb1 s LEU 208 N -3.60 2.85 -0.01 1.32 1.43 -1.26 -1.09 118.68 118.32 3bb1 s LEU 208 Ca 0.31 -0.39 0.03 0.00 -1.03 0.00 0.00 54.13 53.05 3bb1 s LEU 208 Cb -0.04 -1.67 -0.00 0.00 0.03 0.00 0.00 46.19 44.50 3bb1 s LEU 208 CO 0.17 0.22 -0.10 -0.63 0.23 0.00 0.00 176.35 176.25 3bb1 s ILE 209 N -1.07 0.80 -0.33 -0.59 1.01 -0.34 -4.83 121.20 115.85 3bb1 s ILE 209 Ca 0.18 -0.42 -0.01 0.00 0.00 0.00 0.00 60.65 60.40 3bb1 s ILE 209 Cb -0.11 -0.68 0.11 0.00 0.01 0.00 0.00 42.46 41.80 3bb1 s ILE 209 CO 0.09 0.23 0.15 -0.70 0.00 0.00 0.00 174.94 174.71 3bb1 s GLU 210 N -0.13 0.55 0.13 2.79 2.56 -1.26 -1.18 118.70 122.16 3bb1 s GLU 210 Ca 0.02 -1.03 0.25 0.00 0.00 0.00 0.00 54.97 54.20 3bb1 s GLU 210 Cb -0.05 -1.58 0.94 0.00 2.00 0.00 0.00 34.13 35.44 3bb1 s GLU 210 CO -0.00 -1.07 1.76 0.09 -0.56 0.00 0.00 175.26 175.48 3bb1 n ASN 211 N 4.68 0.44 -4.73 -1.70 3.02 -1.26 -4.86 115.26 110.85 3bb1 n ASN 211 Ca 0.01 0.56 -0.41 0.00 -0.03 0.00 0.00 54.58 54.70 3bb1 n ASN 211 Cb 0.40 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 38.90 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 -1.93 3.02 0.24 6.41 2.88 -1.26 -4.87 113.62 118.10 3bb1 n SER 212 Ca 0.05 1.17 0.08 0.00 -1.33 0.00 0.00 58.87 58.84 3bb1 n SER 212 Cb 0.33 -1.54 0.58 0.00 -0.75 0.00 0.00 64.21 62.83 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 2.48 0.00 -3.06 0.46 0.00 -2.05 -2.82 103.07 98.09 3bb1 h GLY 213 Ca -0.48 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 46.58 3bb1 h GLY 213 CO 0.62 0.00 0.34 -0.96 0.00 0.00 0.00 176.54 176.54 3bb1 n ARG 214 N -4.05 1.65 -1.78 4.80 1.85 -1.26 -4.93 116.66 112.93 3bb1 n ARG 214 Ca -0.02 -1.51 -0.39 0.00 -1.00 0.00 0.00 57.85 54.92 3bb1 n ARG 214 Cb 0.25 -1.59 0.03 0.00 -1.05 0.00 0.00 32.46 30.10 3bb1 n ARG 214 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3bb1 s ASN 216 N -0.64 5.01 0.14 0.00 0.01 -1.26 -4.86 114.94 113.34 3bb1 s ASN 216 Ca 0.65 2.01 0.07 0.00 -0.71 0.00 0.00 52.86 54.87 3bb1 s ASN 216 Cb -0.43 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 38.64 3bb1 s ASN 216 CO 0.54 -1.69 -0.15 -0.54 -1.51 0.00 0.00 177.10 173.74 3bb1 s LYS 217 N -4.13 1.11 0.36 -0.60 1.02 -1.26 0.80 119.74 117.04 3bb1 s LYS 217 Ca 0.67 -1.31 -0.01 0.00 0.02 0.00 0.00 55.97 55.33 3bb1 s LYS 217 Cb -0.21 -1.02 0.07 0.00 -0.52 0.00 0.00 37.83 36.16 3bb1 s LYS 217 CO 0.43 0.20 0.49 0.27 -0.92 0.00 0.00 175.35 175.81 3bb1 n ASN 218 N 0.38 0.52 0.24 2.83 0.23 -0.16 -4.79 115.26 114.52 3bb1 n ASN 218 Ca -0.14 -1.47 0.17 0.00 -0.53 0.00 0.00 54.58 52.60 3bb1 n ASN 218 Cb 0.57 -0.33 0.75 0.00 -2.08 0.00 0.00 39.78 38.70 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 -0.37 0.00 -0.33 0.53 5.19 -2.02 -0.82 116.42 118.60 3bb1 h ASP 219 Ca -0.16 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.25 3bb1 h ASP 219 Cb 0.56 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.07 3bb1 h ASP 219 CO 0.16 0.00 0.00 -1.20 -3.12 0.00 0.00 179.24 175.08 3bb1 n SER 220 N -2.78 2.27 -0.34 6.45 7.64 -1.26 -4.94 113.62 120.66 3bb1 n SER 220 Ca -0.00 -1.88 -0.04 0.00 1.01 0.00 0.00 58.87 57.95 3bb1 n SER 220 Cb 0.20 -0.21 -0.02 0.00 -1.01 0.00 0.00 64.21 63.17 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 0.72 -4.23 -4.82 6.43 2.03 -0.31 -4.52 116.55 111.85 3bb1 n ASP 221 Ca 0.16 0.11 -0.33 0.00 0.52 0.00 0.00 54.79 55.25 3bb1 n ASP 221 Cb 0.39 -2.11 -0.05 0.00 -0.72 0.00 0.00 41.12 38.63 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 -1.78 4.07 0.04 -0.67 2.02 -1.26 -4.62 118.70 116.49 3bb1 s GLU 222 Ca 0.00 1.10 -0.30 0.00 0.02 0.00 0.00 54.97 55.78 3bb1 s GLU 222 Cb 0.00 -2.15 -0.06 0.00 0.10 0.00 0.00 34.13 32.01 3bb1 s GLU 222 CO 0.00 -0.17 1.44 0.15 0.02 0.00 0.00 175.26 176.71 3bb1 s LYS 223 N -3.48 4.28 -0.03 1.61 1.02 -1.26 -0.99 119.74 120.88 3bb1 s LYS 223 Ca 0.62 2.05 0.06 0.00 0.02 0.00 0.00 55.97 58.72 3bb1 s LYS 223 Cb -0.10 -3.51 -0.02 0.00 -0.52 0.00 0.00 37.83 33.67 3bb1 s LYS 223 CO 0.20 -0.57 -0.20 0.14 -0.92 0.00 0.00 175.35 173.99 3bb1 s VAL 224 N 2.17 2.57 0.89 3.17 -7.23 0.24 -2.91 120.40 119.30 3bb1 s VAL 224 Ca 0.66 -0.94 -0.12 0.00 -1.81 0.00 0.00 61.98 59.77 3bb1 s VAL 224 Cb -0.34 -1.96 0.13 0.00 0.56 0.00 0.00 36.38 34.77 3bb1 s VAL 224 CO 0.28 0.57 1.09 -0.76 -0.31 0.00 0.00 175.10 175.97 3bb1 s LEU 225 N -0.72 2.25 0.63 1.32 1.43 -0.97 -4.12 118.68 118.50 3bb1 s LEU 225 Ca 0.11 1.46 0.27 0.00 -1.03 0.00 0.00 54.13 54.94 3bb1 s LEU 225 Cb -0.10 -3.88 1.42 0.00 0.03 0.00 0.00 46.19 43.66 3bb1 s LEU 225 CO 0.00 -2.61 1.82 -0.65 0.23 0.00 0.00 176.35 175.14 3bb1 h PRO 226 N -1.53 0.00 -0.21 1.29 0.11 -1.91 -0.26 132.00 129.48 3bb1 h PRO 226 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3bb1 h PRO 226 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3bb1 h PRO 226 CO 0.55 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.61 3bb1 n ASN 227 N -3.19 1.69 0.00 -2.05 0.23 -1.26 -4.88 115.26 105.79 3bb1 n ASN 227 Ca 0.03 -1.78 0.00 0.00 -0.53 0.00 0.00 54.58 52.30 3bb1 n ASN 227 Cb 0.58 -0.14 0.00 0.00 -2.08 0.00 0.00 39.78 38.14 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 1.10 1.53 3.74 4.83 0.00 -0.11 -5.04 105.19 111.24 3bb1 n GLY 228 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.64 4.12 -0.42 -0.61 1.01 -1.26 -4.80 121.20 115.61 3bb1 s ILE 229 Ca 0.00 1.86 -0.28 0.00 0.00 0.00 0.00 60.65 62.22 3bb1 s ILE 229 Cb 0.00 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 38.29 3bb1 s ILE 229 CO 0.00 0.33 1.51 0.00 0.00 0.00 0.00 174.94 176.79 3bb1 s ALA 230 N -0.34 2.95 0.25 9.38 0.00 -1.26 -2.29 121.76 130.46 3bb1 s ALA 230 Ca 0.47 -0.14 0.04 0.00 0.00 0.00 0.00 51.96 52.33 3bb1 s ALA 230 Cb -0.27 -3.99 0.31 0.00 0.00 0.00 0.00 23.12 19.18 3bb1 s ALA 230 CO 0.33 -2.56 1.62 0.11 0.00 0.00 0.00 175.76 175.25 3bb1 h TRP 231 N 11.38 0.39 0.39 0.00 5.08 -1.85 -2.36 115.95 128.97 3bb1 h TRP 231 Ca -0.29 -0.12 -0.02 0.00 1.08 0.00 0.00 58.89 59.54 3bb1 h TRP 231 Cb 1.12 -0.08 0.00 0.00 -3.00 0.00 0.00 29.16 27.21 3bb1 h TRP 231 CO 0.98 0.75 -0.19 0.82 -1.28 0.00 0.00 178.44 179.52 3bb1 h ILE 232 N 0.25 0.51 -0.41 0.12 2.04 -1.89 0.64 117.51 118.77 3bb1 h ILE 232 Ca 0.01 -0.56 0.08 0.00 1.00 0.00 0.00 64.86 65.39 3bb1 h ILE 232 Cb 0.96 0.74 -0.07 0.00 -0.74 0.00 0.00 36.82 37.71 3bb1 h ILE 232 CO 0.08 0.09 -0.03 -0.65 0.00 0.00 0.00 178.15 177.64 3bb1 h PRO 233 N -0.89 0.07 -0.86 2.37 0.11 -1.91 -0.91 132.00 129.98 3bb1 h PRO 233 Ca -0.05 -0.00 0.18 0.00 0.11 0.00 0.00 66.00 66.23 3bb1 h PRO 233 Cb 0.55 -0.02 -0.11 0.00 0.11 0.00 0.00 31.00 31.53 3bb1 h PRO 233 CO 0.09 0.05 0.40 1.25 -0.21 0.00 0.00 178.00 179.58 3bb1 h HIS 234 N 0.07 0.69 0.03 0.65 2.76 -1.29 -0.40 115.15 117.65 3bb1 h HIS 234 Ca 0.20 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.41 3bb1 h HIS 234 Cb 0.30 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.09 3bb1 h HIS 234 CO -0.30 0.06 -0.01 1.25 -1.30 0.00 0.00 177.93 177.63 3bb1 h LEU 235 N 0.50 -0.03 -1.48 0.26 5.85 0.37 -0.78 115.31 119.99 3bb1 h LEU 235 Ca 0.50 -0.31 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 3bb1 h LEU 235 Cb 0.84 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 3bb1 h LEU 235 CO -0.44 0.30 -0.26 0.58 -0.34 0.00 0.00 178.44 178.27 3bb1 h VAL 236 N -0.36 1.14 0.06 1.05 2.07 -0.39 0.52 116.25 120.34 3bb1 h VAL 236 Ca -0.00 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.60 3bb1 h VAL 236 Cb 0.34 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 3bb1 h VAL 236 CO 0.01 0.26 -0.03 -0.61 0.02 0.00 0.00 177.57 177.21 3bb1 h GLN 237 N 0.00 -0.08 -0.73 1.57 4.15 -0.92 0.14 115.11 119.24 3bb1 h GLN 237 Ca -0.00 0.01 0.15 0.00 0.77 0.00 0.00 58.65 59.58 3bb1 h GLN 237 Cb 0.48 0.02 -0.11 0.00 0.21 0.00 0.00 27.48 28.08 3bb1 h GLN 237 CO 0.03 0.36 0.20 1.15 -1.93 0.00 0.00 178.83 178.64 3bb1 h THR 238 N -0.55 0.54 0.13 2.39 2.02 -0.08 0.39 112.91 117.75 3bb1 h THR 238 Ca -0.01 -0.10 0.02 0.00 0.77 0.00 0.00 66.41 67.09 3bb1 h THR 238 Cb 0.48 0.22 -0.04 0.00 -1.74 0.00 0.00 68.15 67.07 3bb1 h THR 238 CO 0.01 0.05 -0.30 0.40 0.37 0.00 0.00 175.52 176.06 3bb1 h ILE 239 N 0.30 0.36 -0.59 3.11 2.04 -0.67 -0.25 117.51 121.81 3bb1 h ILE 239 Ca 0.41 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.36 3bb1 h ILE 239 Cb 0.68 0.36 -0.07 0.00 -0.74 0.00 0.00 36.82 37.05 3bb1 h ILE 239 CO -0.49 0.00 0.21 0.74 0.00 0.00 0.00 178.15 178.61 3bb1 h THR 240 N -0.53 0.77 -0.51 -0.27 2.02 0.81 0.59 112.91 115.80 3bb1 h THR 240 Ca 0.03 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 3bb1 h THR 240 Cb 0.55 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 3bb1 h THR 240 CO -0.17 0.07 0.25 -0.33 0.37 0.00 0.00 175.52 175.72 3bb1 h GLU 241 N 0.38 0.72 -0.39 6.66 5.08 0.38 -1.05 114.58 126.37 3bb1 h GLU 241 Ca 0.29 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.45 3bb1 h GLU 241 Cb 0.36 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3bb1 h GLU 241 CO -0.31 0.60 -0.16 0.28 -1.00 0.00 0.00 179.01 178.42 3bb1 h VAL 242 N 0.67 1.28 -0.87 3.13 2.07 -0.19 -1.69 116.25 120.66 3bb1 h VAL 242 Ca 0.18 -1.28 0.17 0.00 0.82 0.00 0.00 66.70 66.58 3bb1 h VAL 242 Cb 0.10 1.29 -0.10 0.00 -1.52 0.00 0.00 31.29 31.06 3bb1 h VAL 242 CO -0.02 0.43 0.43 0.00 0.02 0.00 0.00 177.57 178.42 3bb1 h ALA 243 N 0.81 1.34 -0.17 1.67 0.00 0.52 -2.18 119.26 121.25 3bb1 h ALA 243 Ca 0.09 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3bb1 h ALA 243 Cb 0.70 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3bb1 h ALA 243 CO 0.05 -0.16 0.00 1.28 0.00 0.00 0.00 179.25 180.42 3bb1 n LEU 244 N -4.92 2.17 -4.78 0.00 4.77 -0.43 -4.94 117.00 108.87 3bb1 n LEU 244 Ca 0.19 -0.86 -0.34 0.00 -0.03 0.00 0.00 56.01 54.96 3bb1 n LEU 244 Cb 0.50 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3bb1 n LEU 244 CO 0.19 0.43 0.75 0.54 -1.33 0.00 0.00 177.39 177.97 3bb1 s ASN 245 N -1.68 5.78 0.00 -1.43 2.20 -0.68 -4.87 114.94 114.27 3bb1 s ASN 245 Ca 0.34 2.02 0.00 0.00 -0.94 0.00 0.00 52.86 54.29 3bb1 s ASN 245 Cb 0.20 -2.56 0.00 0.00 -2.00 0.00 0.00 41.25 36.88 3bb1 s ASN 245 CO 0.29 -1.17 0.30 1.17 -2.94 0.00 0.00 177.10 174.75 3bb1 n LYS 246 N -1.53 0.00 -2.67 3.55 3.00 -1.26 -4.76 118.16 114.49 3bb1 n LYS 246 Ca 0.10 0.03 -0.32 0.00 -0.00 0.00 0.00 58.31 58.12 3bb1 n LYS 246 Cb 0.52 -1.53 -0.04 0.00 0.00 0.00 0.00 35.03 33.98 3bb1 n LYS 246 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 3bb1 s SER 247 N -1.61 6.65 0.32 3.14 0.01 -1.26 -5.05 113.70 115.89 3bb1 s SER 247 Ca 0.00 1.42 -0.27 0.00 1.31 0.00 0.00 55.95 58.41 3bb1 s SER 247 Cb 0.00 -2.44 -0.09 0.00 0.21 0.00 0.00 66.02 63.70 3bb1 s SER 247 CO 0.00 -0.46 1.02 -1.61 0.41 0.00 0.00 173.24 172.60 3bb1 s GLU 248 N -3.78 4.53 1.01 12.44 0.41 -1.26 -5.05 118.70 127.00 3bb1 s GLU 248 Ca 0.56 1.57 -0.14 0.00 -0.41 0.00 0.00 54.97 56.55 3bb1 s GLU 248 Cb -0.10 -2.94 0.19 0.00 -1.78 0.00 0.00 34.13 29.50 3bb1 s GLU 248 CO 0.28 0.18 1.12 -1.12 -0.49 0.00 0.00 175.26 175.23 3bb1 s SER 249 N -1.28 2.60 -0.31 -0.19 0.01 -1.26 -4.92 113.70 108.35 3bb1 s SER 249 Ca 0.49 0.97 -0.08 0.00 1.31 0.00 0.00 55.95 58.64 3bb1 s SER 249 Cb -0.25 -1.50 0.01 0.00 0.21 0.00 0.00 66.02 64.49 3bb1 s SER 249 CO 0.32 -3.12 0.11 -0.63 0.41 0.00 0.00 173.24 170.33 3bb1 s ILE 250 N -3.12 4.08 0.00 1.44 -1.09 -0.74 -4.91 121.20 116.86 3bb1 s ILE 250 Ca 0.66 -0.76 -0.30 0.00 -2.23 0.00 0.00 60.65 58.02 3bb1 s ILE 250 Cb -0.15 -3.16 -0.03 0.00 -1.58 0.00 0.00 42.46 37.54 3bb1 s ILE 250 CO 0.56 -0.01 1.02 0.12 -1.23 0.00 0.00 174.94 175.40 3bb1 s PHE 251 N 1.50 3.61 -0.46 3.97 5.36 -1.26 -0.22 117.98 130.48 3bb1 s PHE 251 Ca 0.02 1.62 -0.17 0.00 -0.96 0.00 0.00 56.93 57.44 3bb1 s PHE 251 Cb -0.18 -3.18 0.05 0.00 -0.34 0.00 0.00 43.02 39.37 3bb1 s PHE 251 CO 0.03 -0.25 0.46 0.08 -1.46 0.00 0.00 175.22 174.09 3bb1 s VAL 252 N 1.08 5.10 0.45 3.12 1.01 -0.49 -4.94 120.40 125.73 3bb1 s VAL 252 Ca 0.53 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.88 3bb1 s VAL 252 Cb -0.22 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 3bb1 s VAL 252 CO 0.28 -0.56 0.05 1.51 0.00 0.00 0.00 175.10 176.38 3bb1 s ASP 253 N 2.29 3.49 0.44 3.32 -4.77 -1.26 0.86 116.67 121.04 3bb1 s ASP 253 Ca 0.09 -1.61 0.10 0.00 -3.30 0.00 0.00 52.55 47.83 3bb1 s ASP 253 Cb -0.20 0.38 0.97 0.00 -1.09 0.00 0.00 42.92 42.99 3bb1 s ASP 253 CO 0.10 -0.82 2.06 0.50 0.70 0.00 0.00 175.17 177.71 3bb1 h LYS 254 N 1.60 0.41 -0.15 2.11 1.63 -1.99 -1.61 116.57 118.58 3bb1 h LYS 254 Ca -0.41 -0.02 -0.15 0.00 -0.85 0.00 0.00 60.65 59.22 3bb1 h LYS 254 Cb 1.29 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.82 3bb1 h LYS 254 CO 0.68 0.27 -0.54 -0.91 -3.45 0.00 0.00 179.45 175.51 3bb1 h ASN 255 N 0.42 0.48 0.68 4.20 4.21 -1.95 1.01 115.58 124.62 3bb1 h ASN 255 Ca 0.15 -0.25 0.00 0.00 1.21 0.00 0.00 56.30 57.41 3bb1 h ASN 255 Cb 0.09 -0.14 0.00 0.00 -1.12 0.00 0.00 38.32 37.16 3bb1 h ASN 255 CO -0.04 0.93 0.00 0.25 -1.29 0.00 0.00 177.43 177.28 3bb1 h LEU 256 N 0.34 0.00 0.00 1.61 5.85 -1.65 -2.47 115.31 118.98 3bb1 h LEU 256 Ca 0.01 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 3bb1 h LEU 256 Cb 1.05 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 3bb1 h LEU 256 CO 0.09 0.00 -1.68 -0.38 -0.34 0.00 0.00 178.44 176.13 3bb1 n ILE 257 N -2.54 0.11 1.49 4.05 5.41 -0.96 -4.60 119.36 122.32 3bb1 n ILE 257 Ca 0.01 -0.35 0.12 0.00 1.00 0.00 0.00 62.75 63.52 3bb1 n ILE 257 Cb 0.22 0.07 0.71 0.00 -0.71 0.00 0.00 39.64 39.92 3bb1 n ILE 257 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02