#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bdi s ILE 17 N 0.00 4.82 -1.24 1.39 -1.09 0.22 -4.05 121.20 121.26 2bdi s ILE 17 Ca 0.00 -0.01 -0.05 0.00 -2.23 0.00 0.00 60.65 58.36 2bdi s ILE 17 Cb 0.00 -3.23 0.01 0.00 -1.58 0.00 0.00 42.46 37.66 2bdi s ILE 17 CO 0.00 0.38 1.06 0.59 -1.23 0.00 0.00 174.94 175.74 2bdi n ASN 18 N 4.29 -4.54 0.00 3.58 5.03 -1.26 -2.34 115.26 120.02 2bdi n ASN 18 Ca -0.16 -0.55 0.00 0.00 0.87 0.00 0.00 54.58 54.75 2bdi n ASN 18 Cb 0.52 -4.86 0.00 0.00 -1.02 0.00 0.00 39.78 34.42 2bdi n ASN 18 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2bdi n GLY 19 N -1.62 7.27 3.30 7.41 0.00 -1.26 -4.82 105.19 115.48 2bdi n GLY 19 Ca -0.11 -2.02 -0.09 0.00 0.00 0.00 0.00 46.02 43.80 2bdi n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bdi s GLU 20 N 1.21 1.09 -0.10 1.61 2.02 -0.51 -4.94 118.70 119.06 2bdi s GLU 20 Ca 0.00 -1.15 -0.35 0.00 0.02 0.00 0.00 54.97 53.48 2bdi s GLU 20 Cb 0.00 0.36 -0.13 0.00 0.10 0.00 0.00 34.13 34.47 2bdi s GLU 20 CO 0.00 -0.38 1.83 -0.25 0.02 0.00 0.00 175.26 176.48 2bdi n ASP 21 N -0.18 3.21 -4.75 -0.19 9.92 -1.26 -0.63 116.55 122.66 2bdi n ASP 21 Ca -0.09 1.00 -0.42 0.00 -0.53 0.00 0.00 54.79 54.76 2bdi n ASP 21 Cb 0.63 -1.33 -0.01 0.00 -0.64 0.00 0.00 41.12 39.77 2bdi n ASP 21 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2bdi n SER 23 N 0.97 3.46 -3.88 0.00 2.88 -1.26 -4.74 113.62 111.05 2bdi n SER 23 Ca 0.04 0.70 -0.55 0.00 -1.33 0.00 0.00 58.87 57.72 2bdi n SER 23 Cb 0.38 -1.45 -0.09 0.00 -0.75 0.00 0.00 64.21 62.30 2bdi n SER 23 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2bdi n PRO 24 N 7.61 0.00 -1.52 -1.46 -0.02 -1.26 0.90 135.00 139.25 2bdi n PRO 24 Ca 0.26 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.64 2bdi n PRO 24 Cb 0.36 -1.25 -0.03 0.00 -0.02 0.00 0.00 33.50 32.55 2bdi n PRO 24 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2bdi n HIS 25 N 4.00 -0.12 0.73 6.00 8.25 -1.26 -4.90 115.22 127.92 2bdi n HIS 25 Ca 0.30 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.89 2bdi n HIS 25 Cb -0.05 -2.02 0.48 0.00 1.12 0.00 0.00 29.99 29.52 2bdi n HIS 25 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2bdi n SER 26 N 0.35 0.43 -3.28 0.41 3.41 0.26 -3.97 113.62 111.23 2bdi n SER 26 Ca -0.10 0.55 -0.25 0.00 -0.26 0.00 0.00 58.87 58.81 2bdi n SER 26 Cb 0.39 -0.66 -0.07 0.00 -0.26 0.00 0.00 64.21 63.60 2bdi n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bdi n GLN 27 N -1.92 1.59 0.00 4.33 1.13 -1.26 -4.97 117.38 116.28 2bdi n GLN 27 Ca 0.06 -3.90 0.00 0.00 -1.94 0.00 0.00 57.00 51.21 2bdi n GLN 27 Cb 0.35 -1.71 0.01 0.00 0.11 0.00 0.00 30.24 29.00 2bdi n GLN 27 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2bdi n PRO 28 N 1.06 0.00 0.00 -1.09 -0.04 -1.26 -1.40 135.00 132.28 2bdi n PRO 28 Ca 0.25 0.40 0.12 0.00 -0.04 0.00 0.00 63.50 64.24 2bdi n PRO 28 Cb 0.48 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.64 2bdi n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2bdi n TRP 29 N -1.41 0.00 -1.97 0.54 2.14 -1.01 -2.00 117.44 113.73 2bdi n TRP 29 Ca 0.00 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.15 2bdi n TRP 29 Cb 0.00 -0.12 -0.03 0.00 -0.81 0.00 0.00 31.31 30.35 2bdi n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2bdi s GLN 30 N -2.73 4.22 -0.13 -2.67 2.00 -0.49 -0.98 119.66 118.88 2bdi s GLN 30 Ca 0.17 2.30 0.01 0.00 -2.00 0.00 0.00 55.36 55.84 2bdi s GLN 30 Cb 0.18 -3.38 -0.01 0.00 0.80 0.00 0.00 33.01 30.60 2bdi s GLN 30 CO 0.64 -0.65 -0.16 0.00 -0.50 0.00 0.00 175.29 174.62 2bdi s ALA 31 N 1.88 2.50 -0.10 1.58 0.00 0.22 -4.34 121.76 123.49 2bdi s ALA 31 Ca 0.71 -0.94 -0.10 0.00 0.00 0.00 0.00 51.96 51.63 2bdi s ALA 31 Cb -0.41 -1.13 -0.05 0.00 0.00 0.00 0.00 23.12 21.54 2bdi s ALA 31 CO 0.31 0.21 0.22 0.00 0.00 0.00 0.00 175.76 176.50 2bdi s ALA 32 N 0.44 3.79 -0.30 0.00 0.00 -0.51 -0.11 121.76 125.07 2bdi s ALA 32 Ca -0.12 -0.52 -0.04 0.00 0.00 0.00 0.00 51.96 51.29 2bdi s ALA 32 Cb -0.16 -2.14 0.04 0.00 0.00 0.00 0.00 23.12 20.86 2bdi s ALA 32 CO 0.05 0.49 0.03 -0.51 0.00 0.00 0.00 175.76 175.83 2bdi s LEU 33 N -0.77 3.90 0.06 0.00 1.02 -0.62 -1.02 118.68 121.23 2bdi s LEU 33 Ca 0.17 -1.07 0.07 0.00 0.02 0.00 0.00 54.13 53.31 2bdi s LEU 33 Cb -0.13 -1.78 -0.03 0.00 0.02 0.00 0.00 46.19 44.26 2bdi s LEU 33 CO 0.06 -0.25 -0.14 0.68 0.02 0.00 0.00 176.35 176.72 2bdi s VAL 34 N 1.35 3.07 0.00 -1.59 -7.23 -1.12 -1.46 120.40 113.42 2bdi s VAL 34 Ca -0.02 -1.16 0.00 0.00 -1.81 0.00 0.00 61.98 58.99 2bdi s VAL 34 Cb -0.19 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.41 2bdi s VAL 34 CO 0.00 0.28 0.00 0.23 -0.31 0.00 0.00 175.10 175.30 2bdi n MET 35 N 1.30 3.69 -0.25 4.82 2.81 0.11 -3.74 117.12 125.86 2bdi n MET 35 Ca -0.15 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.68 2bdi n MET 35 Cb 0.52 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.99 2bdi n MET 35 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2bdi n GLU 36 N 0.00 -0.24 -0.47 0.03 4.71 -1.26 -3.57 120.64 119.84 2bdi n GLU 36 Ca 0.00 0.90 0.00 0.00 -0.01 0.00 0.00 57.16 58.05 2bdi n GLU 36 Cb 0.00 -1.33 0.00 0.00 -1.01 0.00 0.00 31.44 29.10 2bdi n GLU 36 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2bdi n ASN 37 N -4.77 0.00 -4.16 1.62 4.13 -1.26 -5.13 115.26 105.69 2bdi n ASN 37 Ca 0.02 -1.13 -0.10 0.00 1.68 0.00 0.00 54.58 55.06 2bdi n ASN 37 Cb 0.17 -0.03 -0.10 0.00 -1.54 0.00 0.00 39.78 38.29 2bdi n ASN 37 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2bdi s GLU 38 N 0.00 0.82 0.05 3.52 2.12 -1.23 -5.12 118.70 118.85 2bdi s GLU 38 Ca 0.00 -1.34 -0.26 0.00 0.36 0.00 0.00 54.97 53.73 2bdi s GLU 38 Cb 0.00 -0.10 -0.05 0.00 0.26 0.00 0.00 34.13 34.24 2bdi s GLU 38 CO 0.00 -0.06 0.80 -1.17 -0.54 0.00 0.00 175.26 174.29 2bdi s LEU 40 N -3.03 4.45 0.00 2.70 1.98 -1.26 0.08 118.68 123.59 2bdi s LEU 40 Ca 0.13 1.51 0.00 0.00 -2.89 0.00 0.00 54.13 52.87 2bdi s LEU 40 Cb 0.06 -3.30 0.00 0.00 0.66 0.00 0.00 46.19 43.61 2bdi s LEU 40 CO -0.05 -0.01 0.10 2.22 -1.89 0.00 0.00 176.35 176.72 2bdi n PHE 41 N 2.87 0.00 -3.82 5.38 -1.74 -0.54 -4.94 117.46 114.66 2bdi n PHE 41 Ca -0.01 0.00 -0.00 0.00 -0.56 0.00 0.00 57.45 56.87 2bdi n PHE 41 Cb 0.50 0.00 0.01 0.00 1.52 0.00 0.00 39.48 41.51 2bdi n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2bdi s SER 43 N -2.66 0.81 0.31 0.00 0.01 -0.62 -1.59 113.70 109.96 2bdi s SER 43 Ca 0.17 -1.50 -0.14 0.00 1.31 0.00 0.00 55.95 55.78 2bdi s SER 43 Cb -0.01 0.50 0.02 0.00 0.21 0.00 0.00 66.02 66.74 2bdi s SER 43 CO 0.02 -1.01 0.62 -0.83 0.41 0.00 0.00 173.24 172.45 2bdi s GLY 44 N -3.24 0.52 -0.08 3.44 0.00 0.85 -4.15 107.32 104.65 2bdi s GLY 44 Ca 0.37 -0.83 0.01 0.00 0.00 0.00 0.00 44.72 44.28 2bdi s GLY 44 CO 0.19 -0.48 -0.11 0.14 0.00 0.00 0.00 173.10 172.83 2bdi s VAL 45 N -3.34 1.14 -0.61 1.40 1.01 0.35 -0.61 120.40 119.74 2bdi s VAL 45 Ca 0.19 -0.44 -0.27 0.00 0.00 0.00 0.00 61.98 61.47 2bdi s VAL 45 Cb -0.03 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 2bdi s VAL 45 CO 0.11 0.37 1.84 -0.22 0.00 0.00 0.00 175.10 177.20 2bdi s LEU 46 N 0.99 3.29 0.00 3.92 2.96 -0.16 0.34 118.68 130.02 2bdi s LEU 46 Ca -0.08 0.33 0.23 0.00 -0.22 0.00 0.00 54.13 54.39 2bdi s LEU 46 Cb -0.15 -2.55 0.36 0.00 0.50 0.00 0.00 46.19 44.34 2bdi s LEU 46 CO -0.00 -2.35 1.35 1.33 -1.32 0.00 0.00 176.35 175.36 2bdi n VAL 47 N 7.19 0.37 -3.55 1.68 0.24 -1.00 -1.50 118.33 121.76 2bdi n VAL 47 Ca 0.20 -0.69 -0.07 0.00 -2.04 0.00 0.00 64.34 61.74 2bdi n VAL 47 Cb 0.52 1.12 -0.02 0.00 -1.47 0.00 0.00 33.84 33.98 2bdi n VAL 47 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2bdi s HIS 48 N -1.59 -0.24 0.36 6.34 5.65 -1.19 -4.73 115.29 119.89 2bdi s HIS 48 Ca 0.35 0.18 0.09 0.00 0.25 0.00 0.00 55.06 55.93 2bdi s HIS 48 Cb 0.22 0.52 0.81 0.00 -1.18 0.00 0.00 32.58 32.95 2bdi s HIS 48 CO 0.31 -0.37 1.90 -1.35 -0.65 0.00 0.00 174.74 174.58 2bdi h PRO 49 N 2.04 0.67 -0.17 2.88 0.11 -1.92 -2.84 132.00 132.77 2bdi h PRO 49 Ca -0.16 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.87 2bdi h PRO 49 Cb 1.20 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 2bdi h PRO 49 CO 0.27 0.44 -0.08 0.94 -0.21 0.00 0.00 178.00 179.37 2bdi n GLN 50 N -4.52 2.00 -3.76 1.05 7.27 -1.26 -1.60 117.38 116.55 2bdi n GLN 50 Ca 0.15 -2.89 -0.15 0.00 0.07 0.00 0.00 57.00 54.18 2bdi n GLN 50 Cb 0.40 -1.70 -0.16 0.00 2.41 0.00 0.00 30.24 31.19 2bdi n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 2bdi s TRP 51 N -2.99 -0.03 -0.18 3.69 0.52 -1.07 -1.30 118.94 117.58 2bdi s TRP 51 Ca 0.39 0.23 -0.02 0.00 0.02 0.00 0.00 56.10 56.73 2bdi s TRP 51 Cb 0.34 -0.20 -0.01 0.00 -1.15 0.00 0.00 33.47 32.46 2bdi s TRP 51 CO 0.03 -0.11 -0.10 0.08 0.02 0.00 0.00 176.95 176.87 2bdi s VAL 52 N 1.12 3.06 0.12 4.03 1.01 0.40 -2.38 120.40 127.76 2bdi s VAL 52 Ca -0.09 -0.62 -0.18 0.00 0.00 0.00 0.00 61.98 61.09 2bdi s VAL 52 Cb -0.13 -2.34 -0.07 0.00 0.00 0.00 0.00 36.38 33.84 2bdi s VAL 52 CO -0.04 0.48 0.58 -0.22 0.00 0.00 0.00 175.10 175.90 2bdi s LEU 53 N 1.05 4.44 0.00 3.92 2.96 0.15 0.11 118.68 131.31 2bdi s LEU 53 Ca -0.00 1.22 -0.13 0.00 -0.22 0.00 0.00 54.13 55.00 2bdi s LEU 53 Cb -0.15 -3.12 0.05 0.00 0.50 0.00 0.00 46.19 43.47 2bdi s LEU 53 CO -0.02 0.18 0.66 -0.24 -1.32 0.00 0.00 176.35 175.62 2bdi n SER 54 N 1.26 -1.82 -4.72 3.68 2.88 0.29 0.13 113.62 115.33 2bdi n SER 54 Ca -0.07 -2.23 -0.40 0.00 -1.33 0.00 0.00 58.87 54.83 2bdi n SER 54 Cb 0.51 3.03 -0.04 0.00 -0.75 0.00 0.00 64.21 66.96 2bdi n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2bdi s ALA 55 N -1.87 3.30 0.47 -1.46 0.00 -1.26 0.64 121.76 121.58 2bdi s ALA 55 Ca 0.13 0.22 0.26 0.00 0.00 0.00 0.00 51.96 52.58 2bdi s ALA 55 Cb -0.04 -3.03 1.30 0.00 0.00 0.00 0.00 23.12 21.35 2bdi s ALA 55 CO 0.09 -0.12 1.82 0.00 0.00 0.00 0.00 175.76 177.55 2bdi h ALA 56 N 6.71 2.60 0.00 0.00 0.00 -1.62 0.32 119.26 127.27 2bdi h ALA 56 Ca -0.41 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2bdi h ALA 56 Cb 1.20 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2bdi h ALA 56 CO 0.75 -0.93 0.00 -2.39 0.00 0.00 0.00 179.25 176.68 2bdi n HIS 57 N -4.42 0.00 0.17 0.00 1.44 -1.26 -2.38 115.22 108.77 2bdi n HIS 57 Ca 0.23 -0.04 0.02 0.00 -2.01 0.00 0.00 57.72 55.92 2bdi n HIS 57 Cb 0.97 -0.10 0.01 0.00 0.12 0.00 0.00 29.99 30.98 2bdi n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2bdi n PHE 59 N -0.17 -0.03 -4.14 0.00 7.35 -1.00 -5.02 117.46 114.45 2bdi n PHE 59 Ca 0.02 0.94 -0.14 0.00 -0.76 0.00 0.00 57.45 57.51 2bdi n PHE 59 Cb 0.09 -2.03 -0.07 0.00 0.35 0.00 0.00 39.48 37.82 2bdi n PHE 59 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 2bdi s GLN 60 N -0.88 1.59 0.05 -4.13 -1.52 -1.26 -5.05 119.66 108.46 2bdi s GLN 60 Ca 0.68 -1.67 0.10 0.00 -1.95 0.00 0.00 55.36 52.51 2bdi s GLN 60 Cb -0.95 0.37 -0.21 0.00 -0.22 0.00 0.00 33.01 32.00 2bdi s GLN 60 CO 0.56 -0.61 1.01 -0.91 -0.25 0.00 0.00 175.29 175.09 2bdi h ASN 61 N 2.30 0.00 -3.94 5.90 2.35 -1.95 -3.46 115.58 116.77 2bdi h ASN 61 Ca -0.30 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.33 2bdi h ASN 61 Cb 1.24 0.00 -0.24 0.00 0.05 0.00 0.00 38.32 39.37 2bdi h ASN 61 CO 0.42 0.98 -0.24 -0.94 -1.65 0.00 0.00 177.43 176.00 2bdi s SER 62 N -6.42 -0.41 0.26 5.81 1.04 -1.26 -4.58 113.70 108.13 2bdi s SER 62 Ca -0.01 0.78 0.11 0.00 0.48 0.00 0.00 55.95 57.31 2bdi s SER 62 Cb 0.09 0.80 -0.05 0.00 0.10 0.00 0.00 66.02 66.96 2bdi s SER 62 CO 0.82 -0.16 -0.16 -0.31 0.98 0.00 0.00 173.24 174.41 2bdi s TYR 63 N 0.13 2.39 -0.58 5.02 1.51 -0.27 -5.01 117.35 120.54 2bdi s TYR 63 Ca -0.01 -0.31 0.04 0.00 -1.01 0.00 0.00 57.07 55.79 2bdi s TYR 63 Cb -0.03 -1.07 0.15 0.00 -0.11 0.00 0.00 41.96 40.90 2bdi s TYR 63 CO 0.01 0.66 0.36 0.99 -1.11 0.00 0.00 175.55 176.45 2bdi s THR 64 N -2.31 2.49 0.06 -0.71 2.01 -1.25 -2.55 115.64 113.39 2bdi s THR 64 Ca 0.29 -3.61 -0.30 0.00 0.31 0.00 0.00 61.69 58.38 2bdi s THR 64 Cb -0.06 -2.69 -0.05 0.00 0.01 0.00 0.00 72.50 69.72 2bdi s THR 64 CO 0.15 -0.91 0.99 -0.63 -0.69 0.00 0.00 174.62 173.53 2bdi s ILE 65 N -0.69 4.61 -0.27 1.82 1.01 -1.01 -2.80 121.20 123.87 2bdi s ILE 65 Ca 0.21 2.00 -0.05 0.00 0.00 0.00 0.00 60.65 62.81 2bdi s ILE 65 Cb -0.16 -4.28 0.01 0.00 0.01 0.00 0.00 42.46 38.04 2bdi s ILE 65 CO -0.08 0.23 0.03 -0.83 0.00 0.00 0.00 174.94 174.29 2bdi s GLY 66 N 0.54 1.72 0.20 6.18 0.00 -0.19 -1.48 107.32 114.29 2bdi s GLY 66 Ca 0.50 -1.38 0.05 0.00 0.00 0.00 0.00 44.72 43.90 2bdi s GLY 66 CO 0.29 0.58 0.19 1.08 0.00 0.00 0.00 173.10 175.24 2bdi s LEU 67 N 1.47 3.89 -1.82 0.66 1.43 -0.61 -1.42 118.68 122.29 2bdi s LEU 67 Ca 0.03 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 2bdi s LEU 67 Cb -0.16 -2.47 0.00 0.00 0.03 0.00 0.00 46.19 43.59 2bdi s LEU 67 CO 0.00 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.21 2bdi n GLY 69 N -0.73 1.63 3.96 -3.19 0.00 -1.26 -1.54 105.19 104.06 2bdi n GLY 69 Ca -0.08 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 2bdi n GLY 69 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bdi s LEU 70 N -3.97 2.97 0.00 0.99 1.43 -1.26 -4.10 118.68 114.74 2bdi s LEU 70 Ca 0.00 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 2bdi s LEU 70 Cb 0.00 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 43.72 2bdi s LEU 70 CO 0.00 -1.74 0.00 1.57 0.23 0.00 0.00 176.35 176.41 2bdi n HIS 71 N -2.86 -0.32 -4.25 0.29 -0.00 -1.26 -4.66 115.22 102.16 2bdi n HIS 71 Ca 0.12 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.57 2bdi n HIS 71 Cb 0.60 0.13 -0.09 0.00 -0.00 0.00 0.00 29.99 30.64 2bdi n HIS 71 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 2bdi s SER 72 N -2.45 4.48 0.56 0.26 1.04 -1.26 -1.22 113.70 115.11 2bdi s SER 72 Ca 0.00 -0.50 0.33 0.00 0.48 0.00 0.00 55.95 56.26 2bdi s SER 72 Cb 0.00 -0.85 1.61 0.00 0.10 0.00 0.00 66.02 66.88 2bdi s SER 72 CO 0.00 0.10 2.09 -0.07 0.98 0.00 0.00 173.24 176.34 2bdi h LEU 73 N 2.82 0.00 -7.77 2.42 3.38 -1.95 -3.38 115.31 110.83 2bdi h LEU 73 Ca -0.47 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.23 2bdi h LEU 73 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2bdi h LEU 73 CO 0.56 0.06 0.85 -0.62 0.09 0.00 0.00 178.44 179.38 2bdi n GLU 74 N -3.31 0.91 -0.32 1.13 -0.58 -1.26 -4.81 120.64 112.40 2bdi n GLU 74 Ca -0.01 -2.01 0.20 0.00 -0.42 0.00 0.00 57.16 54.93 2bdi n GLU 74 Cb 0.24 -3.62 0.41 0.00 -0.57 0.00 0.00 31.44 27.90 2bdi n GLU 74 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2bdi h ALA 74 N 10.24 1.66 -0.21 0.62 0.00 -1.95 -1.46 119.26 128.16 2bdi h ALA 74 Ca 0.17 0.24 -0.25 0.00 0.00 0.00 0.00 54.91 55.06 2bdi h ALA 74 Cb 0.91 0.30 -0.09 0.00 0.00 0.00 0.00 17.79 18.91 2bdi h ALA 74 CO 1.30 -0.61 0.01 -0.40 0.00 0.00 0.00 179.25 179.55 2bdi n ASP 75 N -5.21 5.77 0.00 0.00 5.75 -1.26 -2.11 116.55 119.49 2bdi n ASP 75 Ca 0.28 -2.74 0.00 0.00 -0.01 0.00 0.00 54.79 52.32 2bdi n ASP 75 Cb 0.91 -1.26 0.00 0.00 -1.03 0.00 0.00 41.12 39.74 2bdi n ASP 75 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2bdi n GLN 76 N 1.55 0.00 -3.96 0.11 6.02 -0.55 -5.05 117.38 115.50 2bdi n GLN 76 Ca 0.34 -0.01 -0.29 0.00 -0.01 0.00 0.00 57.00 57.03 2bdi n GLN 76 Cb 0.69 -0.18 -0.16 0.00 1.02 0.00 0.00 30.24 31.61 2bdi n GLN 76 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2bdi s GLU 77 N 0.00 1.84 0.00 -1.09 0.41 -0.90 -5.02 118.70 113.94 2bdi s GLU 77 Ca 0.00 -0.63 0.00 0.00 -0.41 0.00 0.00 54.97 53.93 2bdi s GLU 77 Cb 0.00 -2.15 0.00 0.00 -1.78 0.00 0.00 34.13 30.20 2bdi s GLU 77 CO 0.00 -0.38 0.00 -2.30 -0.49 0.00 0.00 175.26 172.09 2bdi n PRO 78 N 4.79 0.00 0.00 0.39 -0.02 -1.26 -2.84 135.00 136.06 2bdi n PRO 78 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 2bdi n PRO 78 Cb 0.48 -0.14 0.00 0.00 -0.02 0.00 0.00 33.50 33.82 2bdi n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bdi n GLY 79 N 0.00 0.00 3.75 -1.23 0.00 -1.26 -4.74 105.19 101.71 2bdi n GLY 79 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2bdi n GLY 79 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bdi s SER 80 N -1.42 5.40 -0.13 1.61 1.04 -1.13 -4.73 113.70 114.35 2bdi s SER 80 Ca 0.00 2.57 -0.04 0.00 0.48 0.00 0.00 55.95 58.96 2bdi s SER 80 Cb 0.00 -2.62 0.05 0.00 0.10 0.00 0.00 66.02 63.55 2bdi s SER 80 CO 0.00 -1.46 0.08 -1.10 0.98 0.00 0.00 173.24 171.74 2bdi s GLN 81 N -2.98 0.03 -1.27 4.02 -0.21 -0.59 -4.99 119.66 113.67 2bdi s GLN 81 Ca 0.72 0.07 -0.14 0.00 0.02 0.00 0.00 55.36 56.03 2bdi s GLN 81 Cb -0.35 -1.39 0.14 0.00 1.00 0.00 0.00 33.01 32.40 2bdi s GLN 81 CO 0.41 -0.55 1.66 -1.33 -2.12 0.00 0.00 175.29 173.36 2bdi n MET 82 N 5.28 3.34 -1.51 2.91 2.81 -1.26 -1.57 117.12 127.12 2bdi n MET 82 Ca -0.06 -3.55 -0.30 0.00 -1.81 0.00 0.00 57.70 51.98 2bdi n MET 82 Cb 0.49 -3.14 0.21 0.00 -0.71 0.00 0.00 33.22 30.07 2bdi n MET 82 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2bdi s VAL 83 N 2.05 1.81 0.10 2.03 -7.23 -0.55 -4.88 120.40 113.74 2bdi s VAL 83 Ca 0.45 0.00 0.04 0.00 -1.81 0.00 0.00 61.98 60.66 2bdi s VAL 83 Cb 0.03 -2.74 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 2bdi s VAL 83 CO 0.01 0.00 -0.11 -1.61 -0.31 0.00 0.00 175.10 173.08 2bdi s GLU 84 N -5.62 0.87 0.16 4.82 2.02 -1.26 -2.41 118.70 117.28 2bdi s GLU 84 Ca 0.72 -1.15 -0.21 0.00 0.02 0.00 0.00 54.97 54.35 2bdi s GLU 84 Cb -0.07 -0.62 0.06 0.00 0.10 0.00 0.00 34.13 33.59 2bdi s GLU 84 CO 0.54 0.11 0.57 0.00 0.02 0.00 0.00 175.26 176.50 2bdi s ALA 85 N -2.26 -1.41 0.00 5.21 0.00 -1.06 -0.85 121.76 121.40 2bdi s ALA 85 Ca 0.05 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.30 2bdi s ALA 85 Cb -0.04 0.85 0.00 0.00 0.00 0.00 0.00 23.12 23.93 2bdi s ALA 85 CO 0.01 -0.77 0.00 -1.13 0.00 0.00 0.00 175.76 173.87 2bdi n SER 86 N -0.35 0.00 -4.58 0.00 3.41 -1.26 -1.11 113.62 109.72 2bdi n SER 86 Ca -0.15 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.03 2bdi n SER 86 Cb 0.64 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.56 2bdi n SER 86 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2bdi s LEU 87 N -0.15 3.86 0.02 1.04 0.20 -1.26 -4.66 118.68 117.73 2bdi s LEU 87 Ca 0.00 0.29 0.08 0.00 0.69 0.00 0.00 54.13 55.19 2bdi s LEU 87 Cb 0.00 -3.35 -0.03 0.00 -0.43 0.00 0.00 46.19 42.39 2bdi s LEU 87 CO 0.00 -1.12 -0.21 -0.94 -0.29 0.00 0.00 176.35 173.78 2bdi s SER 88 N 2.32 3.52 -0.27 3.68 1.04 -1.26 -0.91 113.70 121.81 2bdi s SER 88 Ca 0.42 -0.46 0.01 0.00 0.48 0.00 0.00 55.95 56.40 2bdi s SER 88 Cb -0.09 -0.49 0.07 0.00 0.10 0.00 0.00 66.02 65.61 2bdi s SER 88 CO 0.28 0.27 -0.01 -0.69 0.98 0.00 0.00 173.24 174.07 2bdi s VAL 89 N -0.82 1.63 0.52 5.02 1.01 0.15 -4.98 120.40 122.92 2bdi s VAL 89 Ca 0.13 -1.52 -0.17 0.00 0.00 0.00 0.00 61.98 60.42 2bdi s VAL 89 Cb -0.10 -2.00 -0.07 0.00 0.00 0.00 0.00 36.38 34.20 2bdi s VAL 89 CO 0.03 -0.29 1.00 -0.13 0.00 0.00 0.00 175.10 175.71 2bdi s ARG 90 N 1.30 3.82 0.26 2.72 0.52 -1.26 -1.55 118.95 124.76 2bdi s ARG 90 Ca -0.00 1.08 -0.30 0.00 -0.52 0.00 0.00 55.73 55.99 2bdi s ARG 90 Cb -0.19 -2.11 -0.10 0.00 0.52 0.00 0.00 34.95 33.07 2bdi s ARG 90 CO -0.09 -0.38 1.29 -1.58 0.02 0.00 0.00 175.30 174.56 2bdi s HIS 91 N -2.46 3.20 0.27 -0.53 5.65 -0.85 -4.90 115.29 115.68 2bdi s HIS 91 Ca 0.61 1.34 -0.05 0.00 0.25 0.00 0.00 55.06 57.21 2bdi s HIS 91 Cb -0.12 -3.61 0.51 0.00 -1.18 0.00 0.00 32.58 28.18 2bdi s HIS 91 CO 0.29 -1.77 1.46 -2.30 -0.65 0.00 0.00 174.74 171.77 2bdi n PRO 92 N 1.77 -0.08 -0.34 2.88 -0.02 -1.26 -0.81 135.00 137.13 2bdi n PRO 92 Ca 0.03 1.44 0.05 0.00 -2.02 0.00 0.00 63.50 63.01 2bdi n PRO 92 Cb 0.42 -2.19 0.20 0.00 -0.02 0.00 0.00 33.50 31.91 2bdi n PRO 92 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2bdi n GLU 93 N -5.49 2.52 -1.62 -0.52 -0.58 -1.26 -4.98 120.64 108.71 2bdi n GLU 93 Ca 0.17 -1.58 -0.40 0.00 -0.42 0.00 0.00 57.16 54.93 2bdi n GLU 93 Cb 0.54 -1.61 0.03 0.00 -0.57 0.00 0.00 31.44 29.83 2bdi n GLU 93 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 2bdi n TYR 94 N 0.52 1.06 -1.22 -0.32 9.36 0.01 -1.72 117.16 124.85 2bdi n TYR 94 Ca 0.14 0.50 -0.09 0.00 3.32 0.00 0.00 57.90 61.77 2bdi n TYR 94 Cb 0.55 -2.20 -0.04 0.00 -0.63 0.00 0.00 39.34 37.02 2bdi n TYR 94 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2bdi n ASN 95 N 0.03 -5.30 -3.71 2.98 2.85 0.57 -4.92 115.26 107.76 2bdi n ASN 95 Ca 0.11 0.22 -0.30 0.00 -0.11 0.00 0.00 54.58 54.50 2bdi n ASN 95 Cb 0.42 -3.85 -0.15 0.00 1.24 0.00 0.00 39.78 37.45 2bdi n ASN 95 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2bdi s ARG 96 N -2.68 0.65 1.06 1.20 1.81 -0.70 -2.96 118.95 117.34 2bdi s ARG 96 Ca 0.00 -1.01 -0.13 0.00 -1.72 0.00 0.00 55.73 52.87 2bdi s ARG 96 Cb 0.00 -1.89 0.22 0.00 -0.45 0.00 0.00 34.95 32.83 2bdi s ARG 96 CO 0.00 -0.99 1.08 -2.14 -0.68 0.00 0.00 175.30 172.56 2bdi s PRO 97 N 1.67 -0.10 0.04 3.54 0.02 -1.26 -4.86 135.00 134.05 2bdi s PRO 97 Ca 0.10 0.53 -0.38 0.00 0.02 0.00 0.00 61.00 61.27 2bdi s PRO 97 Cb -0.17 -1.67 -0.18 0.00 0.02 0.00 0.00 34.50 32.50 2bdi s PRO 97 CO -0.27 -3.09 1.29 -0.11 -0.33 0.00 0.00 177.00 174.49 2bdi n LEU 98 N -4.43 1.24 0.00 -5.54 7.94 -1.15 0.15 117.00 115.21 2bdi n LEU 98 Ca 0.05 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.08 2bdi n LEU 98 Cb 0.57 -1.11 0.00 0.00 0.53 0.00 0.00 43.42 43.40 2bdi n LEU 98 CO 0.57 -1.24 0.00 0.18 -1.11 0.00 0.00 177.39 175.79 2bdi n LEU 99 N 2.39 0.00 -4.76 -1.96 4.77 -1.26 -4.95 117.00 111.24 2bdi n LEU 99 Ca 0.19 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.88 2bdi n LEU 99 Cb 0.16 -0.13 0.14 0.00 -2.33 0.00 0.00 43.42 41.26 2bdi n LEU 99 CO 0.63 0.00 0.69 0.00 -1.33 0.00 0.00 177.39 177.38 2bdi s ALA 100 N -1.81 1.61 -1.51 -1.18 0.00 0.12 -4.19 121.76 114.81 2bdi s ALA 100 Ca 0.00 -0.43 -0.05 0.00 0.00 0.00 0.00 51.96 51.48 2bdi s ALA 100 Cb 0.00 -3.07 0.05 0.00 0.00 0.00 0.00 23.12 20.10 2bdi s ALA 100 CO 0.00 -2.36 0.46 0.09 0.00 0.00 0.00 175.76 173.95 2bdi n ASN 101 N -3.84 -0.97 -2.52 0.00 4.13 -1.26 -0.31 115.26 110.49 2bdi n ASN 101 Ca 0.06 -1.05 -0.23 0.00 1.68 0.00 0.00 54.58 55.05 2bdi n ASN 101 Cb 0.58 -2.76 -0.11 0.00 -1.54 0.00 0.00 39.78 35.95 2bdi n ASN 101 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2bdi n ASP 102 N -2.88 6.64 -4.29 6.41 2.03 -1.26 -4.16 116.55 119.04 2bdi n ASP 102 Ca -0.20 -2.52 -0.21 0.00 0.52 0.00 0.00 54.79 52.37 2bdi n ASP 102 Cb 0.63 -1.47 -0.11 0.00 -0.72 0.00 0.00 41.12 39.45 2bdi n ASP 102 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 2bdi s LEU 103 N 0.04 2.39 -0.15 -2.67 2.34 -1.26 -2.56 118.68 116.81 2bdi s LEU 103 Ca 0.68 -0.80 -0.11 0.00 0.06 0.00 0.00 54.13 53.96 2bdi s LEU 103 Cb 0.27 -0.75 0.05 0.00 -0.56 0.00 0.00 46.19 45.19 2bdi s LEU 103 CO -0.03 -0.05 0.39 -0.32 -1.06 0.00 0.00 176.35 175.29 2bdi s MET 104 N -2.53 0.40 -0.18 1.48 1.75 0.21 -2.01 119.30 118.42 2bdi s MET 104 Ca 0.11 0.66 -0.15 0.00 -1.25 0.00 0.00 55.69 55.07 2bdi s MET 104 Cb -0.07 0.07 -0.04 0.00 2.84 0.00 0.00 34.83 37.63 2bdi s MET 104 CO 0.05 -0.12 0.34 -0.51 -0.65 0.00 0.00 175.02 174.14 2bdi s LEU 105 N 0.89 4.20 -0.21 4.11 1.43 -0.60 -0.55 118.68 127.96 2bdi s LEU 105 Ca -0.06 0.52 -0.06 0.00 -1.03 0.00 0.00 54.13 53.50 2bdi s LEU 105 Cb -0.06 -2.44 -0.03 0.00 0.03 0.00 0.00 46.19 43.68 2bdi s LEU 105 CO -0.07 0.02 0.04 -0.63 0.23 0.00 0.00 176.35 175.94 2bdi s ILE 106 N 0.85 4.31 -0.25 -0.59 1.01 0.12 0.32 121.20 126.97 2bdi s ILE 106 Ca 0.18 -0.19 -0.17 0.00 0.00 0.00 0.00 60.65 60.47 2bdi s ILE 106 Cb -0.14 -2.97 -0.03 0.00 0.01 0.00 0.00 42.46 39.33 2bdi s ILE 106 CO 0.06 0.41 0.47 -0.75 0.00 0.00 0.00 174.94 175.12 2bdi s LYS 107 N 1.03 4.09 0.44 2.79 2.20 -0.08 -0.45 119.74 129.75 2bdi s LYS 107 Ca 0.03 0.25 -0.23 0.00 -0.36 0.00 0.00 55.97 55.66 2bdi s LYS 107 Cb -0.14 -3.62 -0.08 0.00 -1.51 0.00 0.00 37.83 32.47 2bdi s LYS 107 CO 0.03 -0.26 1.09 -0.51 -0.36 0.00 0.00 175.35 175.34 2bdi s LEU 108 N 2.02 4.05 0.07 5.43 1.43 -0.42 -4.01 118.68 127.24 2bdi s LEU 108 Ca 0.20 2.13 -0.36 0.00 -1.03 0.00 0.00 54.13 55.06 2bdi s LEU 108 Cb -0.15 -4.26 -0.19 0.00 0.03 0.00 0.00 46.19 41.61 2bdi s LEU 108 CO 0.09 -0.70 1.55 0.44 0.23 0.00 0.00 176.35 177.96 2bdi h ASP 109 N 2.18 -1.23 -3.39 2.29 3.45 -1.34 -3.40 116.42 114.99 2bdi h ASP 109 Ca -0.49 0.07 -0.65 0.00 0.43 0.00 0.00 57.03 56.39 2bdi h ASP 109 Cb 1.23 0.36 -0.25 0.00 -0.56 0.00 0.00 39.33 40.11 2bdi h ASP 109 CO 0.61 -0.74 -0.70 -0.70 -1.57 0.00 0.00 179.24 176.14 2bdi s GLU 110 N -5.83 3.48 0.24 3.56 2.12 -1.26 -5.09 118.70 115.93 2bdi s GLU 110 Ca -0.18 -0.59 -0.30 0.00 0.36 0.00 0.00 54.97 54.25 2bdi s GLU 110 Cb 0.03 -2.97 -0.14 0.00 0.26 0.00 0.00 34.13 31.31 2bdi s GLU 110 CO 0.58 -0.03 1.19 0.45 -0.54 0.00 0.00 175.26 176.92 2bdi n SER 111 N 4.31 1.86 -4.95 -1.70 2.88 -1.26 -4.96 113.62 109.80 2bdi n SER 111 Ca -0.18 1.16 -0.23 0.00 -1.33 0.00 0.00 58.87 58.29 2bdi n SER 111 Cb 0.52 -1.32 -0.00 0.00 -0.75 0.00 0.00 64.21 62.65 2bdi n SER 111 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2bdi s VAL 112 N -0.52 4.59 -0.30 2.46 -7.23 -0.63 -4.97 120.40 113.81 2bdi s VAL 112 Ca 0.65 -0.47 -0.09 0.00 -1.81 0.00 0.00 61.98 60.26 2bdi s VAL 112 Cb -0.72 -3.68 -0.01 0.00 0.56 0.00 0.00 36.38 32.53 2bdi s VAL 112 CO 0.55 -0.46 0.13 -0.44 -0.31 0.00 0.00 175.10 174.57 2bdi s SER 113 N -4.12 5.47 -0.67 4.85 0.01 -1.26 -4.81 113.70 113.16 2bdi s SER 113 Ca 0.44 -0.47 -0.29 0.00 1.31 0.00 0.00 55.95 56.94 2bdi s SER 113 Cb -0.10 -1.98 -0.14 0.00 0.21 0.00 0.00 66.02 64.01 2bdi s SER 113 CO 0.37 -0.16 2.50 -0.62 0.41 0.00 0.00 173.24 175.74 2bdi n GLU 114 N 4.97 0.63 -0.15 12.44 1.02 -1.26 -4.90 120.64 133.39 2bdi n GLU 114 Ca -0.14 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 2bdi n GLU 114 Cb 0.49 -2.55 0.00 0.00 -0.02 0.00 0.00 31.44 29.36 2bdi n GLU 114 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2bdi n SER 115 N 13.00 0.00 -0.04 1.62 3.41 -0.53 -4.93 113.62 126.15 2bdi n SER 115 Ca 0.49 -0.21 -0.16 0.00 -0.26 0.00 0.00 58.87 58.72 2bdi n SER 115 Cb 0.30 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.19 2bdi n SER 115 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2bdi h ASP 116 N 0.00 0.86 -0.61 4.04 -0.00 -1.95 -3.21 116.42 115.54 2bdi h ASP 116 Ca 0.00 -0.59 0.00 0.00 -0.00 0.00 0.00 57.03 56.44 2bdi h ASP 116 Cb 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 39.33 39.08 2bdi h ASP 116 CO 0.00 1.31 0.00 0.35 -0.00 0.00 0.00 179.24 180.90 2bdi n THR 117 N -4.06 0.96 -3.54 2.25 -2.24 -1.26 -4.81 114.28 101.59 2bdi n THR 117 Ca -0.07 -0.98 -0.29 0.00 -2.27 0.00 0.00 64.05 60.44 2bdi n THR 117 Cb 0.66 0.53 -0.14 0.00 -2.10 0.00 0.00 70.33 69.28 2bdi n THR 117 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2bdi s ILE 118 N -1.03 0.20 0.13 2.28 1.01 -1.21 -4.00 121.20 118.59 2bdi s ILE 118 Ca 0.42 -1.33 0.06 0.00 0.00 0.00 0.00 60.65 59.80 2bdi s ILE 118 Cb 0.22 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.49 2bdi s ILE 118 CO 0.29 -0.84 -0.15 -0.60 0.00 0.00 0.00 174.94 173.64 2bdi s ARG 119 N 1.51 1.07 0.41 2.79 3.52 -0.85 -1.45 118.95 125.96 2bdi s ARG 119 Ca 0.13 -1.28 -0.02 0.00 -0.13 0.00 0.00 55.73 54.43 2bdi s ARG 119 Cb -0.20 -0.98 -0.03 0.00 -1.56 0.00 0.00 34.95 32.18 2bdi s ARG 119 CO -0.18 0.19 0.65 -1.54 -0.81 0.00 0.00 175.30 173.62 2bdi s SER 120 N -2.53 6.27 0.19 -2.12 1.04 -1.26 -2.41 113.70 112.88 2bdi s SER 120 Ca 0.11 0.66 0.09 0.00 0.48 0.00 0.00 55.95 57.28 2bdi s SER 120 Cb -0.05 -2.12 -0.04 0.00 0.10 0.00 0.00 66.02 63.91 2bdi s SER 120 CO 0.04 -0.42 -0.18 -0.51 0.98 0.00 0.00 173.24 173.14 2bdi s ILE 121 N -2.51 1.91 0.14 -1.02 2.07 -0.56 -4.92 121.20 116.31 2bdi s ILE 121 Ca 0.43 -2.05 0.03 0.00 -1.41 0.00 0.00 60.65 57.65 2bdi s ILE 121 Cb -0.10 -1.96 -0.04 0.00 0.13 0.00 0.00 42.46 40.50 2bdi s ILE 121 CO 0.40 -0.38 0.24 -0.94 -1.91 0.00 0.00 174.94 172.35 2bdi s SER 122 N -2.92 6.16 -0.08 4.50 1.04 -1.26 -4.47 113.70 116.67 2bdi s SER 122 Ca 0.19 0.12 -0.21 0.00 0.48 0.00 0.00 55.95 56.53 2bdi s SER 122 Cb -0.05 -1.81 -0.04 0.00 0.10 0.00 0.00 66.02 64.22 2bdi s SER 122 CO 0.08 0.07 0.58 -0.63 0.98 0.00 0.00 173.24 174.32 2bdi s ILE 123 N -1.71 5.08 0.30 -1.02 1.01 -1.26 -0.52 121.20 123.08 2bdi s ILE 123 Ca 0.34 1.19 -0.29 0.00 0.00 0.00 0.00 60.65 61.88 2bdi s ILE 123 Cb -0.11 -3.92 -0.13 0.00 0.01 0.00 0.00 42.46 38.31 2bdi s ILE 123 CO 0.27 0.32 1.35 0.00 0.00 0.00 0.00 174.94 176.88 2bdi n ALA 124 N 3.51 1.30 0.33 9.38 0.00 0.52 -4.81 120.51 130.75 2bdi n ALA 124 Ca -0.05 0.38 0.10 0.00 0.00 0.00 0.00 53.44 53.87 2bdi n ALA 124 Cb 0.51 -2.27 -0.14 0.00 0.00 0.00 0.00 19.45 17.55 2bdi n ALA 124 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2bdi n SER 125 N 1.35 0.57 -4.89 0.00 3.41 -1.26 -4.04 113.62 108.76 2bdi n SER 125 Ca 0.07 -0.35 -0.31 0.00 -0.26 0.00 0.00 58.87 58.02 2bdi n SER 125 Cb 0.34 1.59 -0.05 0.00 -0.26 0.00 0.00 64.21 65.84 2bdi n SER 125 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2bdi s GLN 127 N -3.20 3.67 0.32 4.33 0.74 -1.26 -4.88 119.66 119.38 2bdi s GLN 127 Ca -0.02 0.02 -0.10 0.00 0.05 0.00 0.00 55.36 55.31 2bdi s GLN 127 Cb 0.14 -2.75 -0.07 0.00 1.10 0.00 0.00 33.01 31.42 2bdi s GLN 127 CO 0.83 0.38 0.66 0.00 -0.55 0.00 0.00 175.29 176.61 2bdi n PRO 129 N -0.76 0.06 -4.89 0.00 -0.02 -1.26 -4.98 135.00 123.15 2bdi n PRO 129 Ca 0.01 0.02 -0.33 0.00 -2.02 0.00 0.00 63.50 61.19 2bdi n PRO 129 Cb 0.53 -1.04 -0.14 0.00 -0.02 0.00 0.00 33.50 32.83 2bdi n PRO 129 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2bdi s THR 130 N -1.13 2.87 0.33 3.45 -4.23 -1.26 -5.08 115.64 110.59 2bdi s THR 130 Ca 0.63 -0.75 -0.28 0.00 -1.18 0.00 0.00 61.69 60.11 2bdi s THR 130 Cb -0.86 -2.17 -0.12 0.00 1.34 0.00 0.00 72.50 70.69 2bdi s THR 130 CO 0.57 0.55 1.32 0.00 -0.54 0.00 0.00 174.62 176.52 2bdi n ALA 132 N 3.18 1.37 0.00 3.99 0.00 -1.26 -1.94 120.51 125.85 2bdi n ALA 132 Ca -0.18 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2bdi n ALA 132 Cb 0.53 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.70 2bdi n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bdi n GLY 133 N 0.95 2.86 3.74 0.00 0.00 0.51 -4.92 105.19 108.32 2bdi n GLY 133 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2bdi n GLY 133 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2bdi n ASN 134 N 0.39 3.50 -4.89 1.61 2.85 -0.82 -4.54 115.26 113.36 2bdi n ASN 134 Ca 0.00 1.18 -0.35 0.00 -0.11 0.00 0.00 54.58 55.30 2bdi n ASN 134 Cb 0.00 -1.56 -0.05 0.00 1.24 0.00 0.00 39.78 39.41 2bdi n ASN 134 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2bdi s SER 135 N 0.13 6.38 0.11 1.20 0.15 -1.26 -0.61 113.70 119.80 2bdi s SER 135 Ca 0.60 0.41 -0.02 0.00 0.70 0.00 0.00 55.95 57.64 2bdi s SER 135 Cb -0.52 -2.04 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 2bdi s SER 135 CO 0.56 0.33 0.05 0.00 1.20 0.00 0.00 173.24 175.38 2bdi s LEU 137 N -3.01 2.23 0.02 0.00 2.96 -0.57 0.50 118.68 120.83 2bdi s LEU 137 Ca 0.19 -0.63 0.01 0.00 -0.22 0.00 0.00 54.13 53.48 2bdi s LEU 137 Cb 0.07 -1.09 -0.02 0.00 0.50 0.00 0.00 46.19 45.66 2bdi s LEU 137 CO -0.02 0.16 -0.05 0.54 -1.32 0.00 0.00 176.35 175.67 2bdi s VAL 138 N -0.95 0.29 0.04 1.68 0.11 -0.58 -0.60 120.40 120.39 2bdi s VAL 138 Ca 0.10 -0.82 -0.01 0.00 -2.93 0.00 0.00 61.98 58.32 2bdi s VAL 138 Cb -0.10 -0.38 -0.03 0.00 -1.53 0.00 0.00 36.38 34.35 2bdi s VAL 138 CO 0.03 -0.35 -0.02 -0.94 -3.33 0.00 0.00 175.10 170.49 2bdi s SER 139 N -1.24 0.36 0.00 3.54 1.04 -1.21 -1.36 113.70 114.83 2bdi s SER 139 Ca -0.10 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.56 2bdi s SER 139 Cb -0.08 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.20 2bdi s SER 139 CO -0.00 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.36 2bdi n GLY 140 N 0.77 0.20 1.43 7.32 0.00 -0.49 -4.23 105.19 110.20 2bdi n GLY 140 Ca -0.18 -0.98 0.08 0.00 0.00 0.00 0.00 46.02 44.93 2bdi n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2bdi n TRP 141 N -0.32 1.48 -0.97 1.61 8.01 -1.26 -1.44 117.44 124.55 2bdi n TRP 141 Ca 0.00 -0.72 -0.30 0.00 -1.31 0.00 0.00 57.50 55.17 2bdi n TRP 141 Cb 0.00 -0.35 0.24 0.00 -2.01 0.00 0.00 31.31 29.19 2bdi n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 2bdi s GLY 142 N -1.17 1.55 0.42 6.99 0.00 -1.23 -4.28 107.32 109.61 2bdi s GLY 142 Ca 0.48 -0.79 -0.23 0.00 0.00 0.00 0.00 44.72 44.17 2bdi s GLY 142 CO 0.16 0.06 0.81 1.04 0.00 0.00 0.00 173.10 175.17 2bdi n LEU 143 N -4.81 1.48 -5.01 0.66 4.32 0.94 -3.16 117.00 111.43 2bdi n LEU 143 Ca 0.11 0.98 -0.19 0.00 -0.02 0.00 0.00 56.01 56.88 2bdi n LEU 143 Cb 0.59 -1.25 0.04 0.00 -1.62 0.00 0.00 43.42 41.19 2bdi n LEU 143 CO 0.47 -2.11 0.30 -0.76 -1.22 0.00 0.00 177.39 174.07 2bdi s LEU 144 N 0.43 3.34 0.56 2.23 1.43 0.99 -1.67 118.68 125.99 2bdi s LEU 144 Ca 0.64 -0.43 0.31 0.00 -1.03 0.00 0.00 54.13 53.61 2bdi s LEU 144 Cb -0.58 -2.35 1.46 0.00 0.03 0.00 0.00 46.19 44.75 2bdi s LEU 144 CO 0.57 -1.14 1.86 0.00 0.23 0.00 0.00 176.35 177.86 2bdi h ALA 145 N 0.24 2.59 -0.19 4.21 0.00 -1.87 0.67 119.26 124.91 2bdi h ALA 145 Ca -0.37 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2bdi h ALA 145 Cb 1.28 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2bdi h ALA 145 CO 0.45 -1.00 0.00 0.27 0.00 0.00 0.00 179.25 178.97 2bdi n ASN 146 N -3.98 1.40 -0.67 0.00 0.23 -1.26 -4.88 115.26 106.10 2bdi n ASN 146 Ca 0.15 -1.77 -0.09 0.00 -0.53 0.00 0.00 54.58 52.34 2bdi n ASN 146 Cb 0.89 -0.12 -0.04 0.00 -2.08 0.00 0.00 39.78 38.43 2bdi n ASN 146 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2bdi n GLY 147 N 1.02 1.05 3.54 4.83 0.00 0.23 -5.00 105.19 110.86 2bdi n GLY 147 Ca 0.14 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 2bdi n GLY 147 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2bdi s ARG 150 N -2.69 1.96 0.10 1.61 3.00 -1.25 -4.76 118.95 116.92 2bdi s ARG 150 Ca 0.00 -1.21 -0.25 0.00 -1.00 0.00 0.00 55.73 53.27 2bdi s ARG 150 Cb 0.00 -2.16 -0.07 0.00 0.00 0.00 0.00 34.95 32.73 2bdi s ARG 150 CO 0.00 0.46 0.75 -1.64 0.00 0.00 0.00 175.30 174.87 2bdi s MET 151 N -2.50 4.50 0.71 5.12 -1.94 -1.26 -0.00 119.30 123.93 2bdi s MET 151 Ca 0.22 1.08 -0.11 0.00 -1.71 0.00 0.00 55.69 55.16 2bdi s MET 151 Cb -0.10 -3.31 0.01 0.00 2.01 0.00 0.00 34.83 33.45 2bdi s MET 151 CO 0.13 0.44 1.07 -1.25 -0.01 0.00 0.00 175.02 175.40 2bdi s PRO 152 N -0.62 2.85 -0.01 2.03 0.04 -1.26 -4.95 135.00 133.09 2bdi s PRO 152 Ca 0.36 0.69 0.14 0.00 0.04 0.00 0.00 61.00 62.24 2bdi s PRO 152 Cb -0.22 -2.00 -0.20 0.00 0.04 0.00 0.00 34.50 32.13 2bdi s PRO 152 CO 0.24 -1.09 0.72 0.25 0.04 0.00 0.00 177.00 177.16 2bdi n THR 153 N -3.09 1.46 -4.47 1.26 -2.24 -1.26 -4.96 114.28 100.99 2bdi n THR 153 Ca 0.07 -0.76 -0.23 0.00 -2.27 0.00 0.00 64.05 60.86 2bdi n THR 153 Cb 0.55 -0.94 -0.11 0.00 -2.10 0.00 0.00 70.33 67.74 2bdi n THR 153 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2bdi s VAL 154 N -2.71 1.43 0.20 2.28 -7.23 -1.26 -3.84 120.40 109.26 2bdi s VAL 154 Ca -0.04 -2.03 -0.31 0.00 -1.81 0.00 0.00 61.98 57.79 2bdi s VAL 154 Cb 0.08 -2.75 -0.11 0.00 0.56 0.00 0.00 36.38 34.16 2bdi s VAL 154 CO 0.82 -0.07 1.61 -0.22 -0.31 0.00 0.00 175.10 176.93 2bdi s LEU 155 N -3.51 4.37 0.07 1.32 2.96 -0.35 -4.84 118.68 118.69 2bdi s LEU 155 Ca 0.35 2.73 -0.05 0.00 -0.22 0.00 0.00 54.13 56.94 2bdi s LEU 155 Cb 0.08 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 43.12 2bdi s LEU 155 CO 0.15 -0.87 0.30 -1.10 -1.32 0.00 0.00 176.35 173.50 2bdi s GLN 156 N 0.92 3.57 0.06 1.98 -1.52 -0.52 -1.01 119.66 123.14 2bdi s GLN 156 Ca 0.70 -0.15 0.06 0.00 -1.95 0.00 0.00 55.36 54.03 2bdi s GLN 156 Cb -0.46 -2.99 -0.03 0.00 -0.22 0.00 0.00 33.01 29.31 2bdi s GLN 156 CO 0.34 0.58 -0.17 0.00 -0.25 0.00 0.00 175.29 175.78 2bdi s VAL 158 N -1.01 0.03 -0.07 0.00 0.11 -0.46 -1.43 120.40 117.57 2bdi s VAL 158 Ca 0.03 -0.27 0.00 0.00 -2.93 0.00 0.00 61.98 58.82 2bdi s VAL 158 Cb -0.09 -1.06 -0.03 0.00 -1.53 0.00 0.00 36.38 33.67 2bdi s VAL 158 CO 0.02 -0.15 -0.06 0.20 -3.33 0.00 0.00 175.10 171.78 2bdi s ASN 159 N -2.62 4.67 0.01 3.54 -0.87 -1.26 -1.53 114.94 116.89 2bdi s ASN 159 Ca 0.01 -0.02 -0.05 0.00 -1.57 0.00 0.00 52.86 51.22 2bdi s ASN 159 Cb 0.00 -1.22 -0.00 0.00 -0.02 0.00 0.00 41.25 40.00 2bdi s ASN 159 CO -0.10 0.35 0.09 0.68 -2.57 0.00 0.00 177.10 175.54 2bdi s VAL 160 N -0.73 0.09 0.06 1.60 -7.23 0.18 -4.87 120.40 109.50 2bdi s VAL 160 Ca 0.11 -0.74 0.02 0.00 -1.81 0.00 0.00 61.98 59.56 2bdi s VAL 160 Cb -0.11 -0.38 -0.04 0.00 0.56 0.00 0.00 36.38 36.41 2bdi s VAL 160 CO 0.02 -0.41 0.07 -0.44 -0.31 0.00 0.00 175.10 174.03 2bdi s SER 161 N -1.39 5.53 0.36 4.85 0.01 -1.26 -0.65 113.70 121.15 2bdi s SER 161 Ca -0.15 0.02 -0.28 0.00 1.31 0.00 0.00 55.95 56.84 2bdi s SER 161 Cb -0.08 -1.50 -0.11 0.00 0.21 0.00 0.00 66.02 64.54 2bdi s SER 161 CO 0.01 0.20 1.47 -0.69 0.41 0.00 0.00 173.24 174.63 2bdi s VAL 162 N -1.34 2.18 0.08 3.43 1.01 0.22 -0.10 120.40 125.89 2bdi s VAL 162 Ca 0.28 0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.45 2bdi s VAL 162 Cb -0.12 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 2bdi s VAL 162 CO 0.20 0.04 0.14 -0.69 0.00 0.00 0.00 175.10 174.79 2bdi s VAL 163 N -0.98 4.87 0.71 2.92 1.01 0.58 -0.37 120.40 129.15 2bdi s VAL 163 Ca 0.53 -0.66 -0.15 0.00 0.00 0.00 0.00 61.98 61.70 2bdi s VAL 163 Cb -0.45 -3.38 0.03 0.00 0.00 0.00 0.00 36.38 32.58 2bdi s VAL 163 CO 0.59 0.10 1.16 -0.94 0.00 0.00 0.00 175.10 176.01 2bdi s SER 164 N -2.55 4.49 0.20 3.32 1.04 -1.26 -4.61 113.70 114.33 2bdi s SER 164 Ca 0.32 2.20 -0.11 0.00 0.48 0.00 0.00 55.95 58.84 2bdi s SER 164 Cb -0.12 -2.57 0.17 0.00 0.10 0.00 0.00 66.02 63.59 2bdi s SER 164 CO 0.25 -2.05 1.83 -0.08 0.98 0.00 0.00 173.24 174.16 2bdi h GLU 165 N -0.25 0.70 0.68 4.02 4.81 -1.98 -0.48 114.58 122.09 2bdi h GLU 165 Ca -0.47 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 58.69 2bdi h GLU 165 Cb 1.27 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 2bdi h GLU 165 CO 0.51 0.46 -0.49 1.49 -0.73 0.00 0.00 179.01 180.25 2bdi h GLU 166 N 0.72 -1.08 -0.35 1.92 4.81 -1.99 0.19 114.58 118.81 2bdi h GLU 166 Ca 0.26 0.07 0.07 0.00 -0.13 0.00 0.00 59.36 59.64 2bdi h GLU 166 Cb 0.06 0.25 -0.08 0.00 0.63 0.00 0.00 28.75 29.61 2bdi h GLU 166 CO -0.12 -0.72 -0.16 0.28 -0.73 0.00 0.00 179.01 177.56 2bdi h VAL 167 N -1.12 0.50 -0.39 0.32 2.07 -1.81 -1.48 116.25 114.34 2bdi h VAL 167 Ca -0.09 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.49 2bdi h VAL 167 Cb 0.92 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 2bdi h VAL 167 CO 0.04 0.00 0.09 0.00 0.02 0.00 0.00 177.57 177.73 2bdi h SER 169 N 0.23 0.00 0.15 0.00 4.64 -0.19 -2.43 113.55 115.94 2bdi h SER 169 Ca 0.18 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.26 2bdi h SER 169 Cb 0.21 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.32 2bdi h SER 169 CO -0.23 0.42 -1.04 0.11 -0.87 0.00 0.00 176.83 175.22 2bdi h LYS 170 N 0.00 0.44 0.00 4.77 1.57 -0.96 0.70 116.57 123.09 2bdi h LYS 170 Ca -0.00 -0.67 -0.01 0.00 -1.87 0.00 0.00 60.65 58.09 2bdi h LYS 170 Cb 0.80 0.24 -0.00 0.00 0.08 0.00 0.00 32.23 33.34 2bdi h LYS 170 CO 0.05 1.30 -0.05 -0.07 -0.57 0.00 0.00 179.45 180.12 2bdi h LEU 171 N -0.08 0.00 -2.94 2.94 3.38 -0.30 -2.98 115.31 115.33 2bdi h LEU 171 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2bdi h LEU 171 Cb 1.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.54 2bdi h LEU 171 CO 0.20 0.05 0.00 -1.22 0.09 0.00 0.00 178.44 177.55 2bdi n TYR 172 N -3.64 0.00 -1.68 1.13 4.01 -0.92 -5.01 117.16 111.05 2bdi n TYR 172 Ca -0.02 -0.48 -0.43 0.00 -0.16 0.00 0.00 57.90 56.80 2bdi n TYR 172 Cb 0.15 -0.05 -0.01 0.00 -0.31 0.00 0.00 39.34 39.12 2bdi n TYR 172 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2bdi n ASP 173 N -0.48 2.68 -1.25 7.72 -0.08 0.23 -0.86 116.55 124.50 2bdi n ASP 173 Ca 0.00 1.19 0.12 0.00 -1.51 0.00 0.00 54.79 54.59 2bdi n ASP 173 Cb 0.25 -1.46 0.26 0.00 2.34 0.00 0.00 41.12 42.51 2bdi n ASP 173 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2bdi n PRO 174 N 1.02 2.61 0.13 -0.67 -0.04 -1.26 -4.84 135.00 131.96 2bdi n PRO 174 Ca 0.07 -2.47 0.13 0.00 -0.04 0.00 0.00 63.50 61.19 2bdi n PRO 174 Cb 0.34 -1.54 0.46 0.00 -0.04 0.00 0.00 33.50 32.72 2bdi n PRO 174 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2bdi n LEU 175 N 1.58 0.77 -4.75 1.53 4.77 -0.04 -4.88 117.00 115.98 2bdi n LEU 175 Ca 0.22 0.64 -0.41 0.00 -0.03 0.00 0.00 56.01 56.42 2bdi n LEU 175 Cb 0.62 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 2bdi n LEU 175 CO 0.16 -0.42 0.96 -0.47 -1.33 0.00 0.00 177.39 176.29 2bdi s TYR 176 N -3.24 3.25 0.12 -1.77 6.14 -0.53 -4.86 117.35 116.46 2bdi s TYR 176 Ca 0.07 1.34 0.02 0.00 0.64 0.00 0.00 57.07 59.14 2bdi s TYR 176 Cb 0.10 -3.58 -0.04 0.00 0.42 0.00 0.00 41.96 38.86 2bdi s TYR 176 CO 0.48 -1.69 -0.06 -1.58 0.64 0.00 0.00 175.55 173.34 2bdi s HIS 177 N -0.36 1.04 -1.17 4.97 2.46 -1.26 -4.94 115.29 116.03 2bdi s HIS 177 Ca 0.53 -0.90 0.05 0.00 0.47 0.00 0.00 55.06 55.21 2bdi s HIS 177 Cb -0.37 -0.58 0.21 0.00 -0.13 0.00 0.00 32.58 31.72 2bdi s HIS 177 CO 0.42 -0.11 1.09 -2.30 -2.47 0.00 0.00 174.74 171.37 2bdi n PRO 178 N -0.12 0.03 -0.60 2.88 -0.02 -1.26 -1.15 135.00 134.76 2bdi n PRO 178 Ca -0.11 0.35 0.03 0.00 -2.02 0.00 0.00 63.50 61.76 2bdi n PRO 178 Cb 0.61 -1.50 0.26 0.00 -0.02 0.00 0.00 33.50 32.85 2bdi n PRO 178 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2bdi n SER 179 N -1.42 4.06 -4.06 2.55 3.41 -1.26 -4.78 113.62 112.12 2bdi n SER 179 Ca 0.02 -2.63 -0.10 0.00 -0.26 0.00 0.00 58.87 55.90 2bdi n SER 179 Cb 0.05 -0.63 -0.08 0.00 -0.26 0.00 0.00 64.21 63.29 2bdi n SER 179 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bdi s MET 180 N -2.15 1.07 0.11 4.33 0.23 -0.30 -1.53 119.30 121.06 2bdi s MET 180 Ca 0.36 -1.32 -0.20 0.00 -1.03 0.00 0.00 55.69 53.49 2bdi s MET 180 Cb 0.27 0.31 0.05 0.00 -1.53 0.00 0.00 34.83 33.94 2bdi s MET 180 CO 0.10 -0.36 0.50 -0.59 -2.03 0.00 0.00 175.02 172.64 2bdi s PHE 181 N -4.02 -0.37 0.00 3.16 -0.12 -0.07 -4.70 117.98 111.85 2bdi s PHE 181 Ca 0.22 0.20 0.01 0.00 -0.05 0.00 0.00 56.93 57.31 2bdi s PHE 181 Cb 0.05 0.38 -0.04 0.00 -0.63 0.00 0.00 43.02 42.78 2bdi s PHE 181 CO 0.02 -0.73 0.01 0.00 -0.05 0.00 0.00 175.22 174.47 2bdi s ALA 183 N -1.11 -0.76 0.00 0.00 0.00 -0.78 -0.30 121.76 118.81 2bdi s ALA 183 Ca 0.20 0.88 0.00 0.00 0.00 0.00 0.00 51.96 53.04 2bdi s ALA 183 Cb -0.12 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.49 2bdi s ALA 183 CO 0.11 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.13 2bdi n GLY 184 N 2.95 0.36 2.02 0.00 0.00 0.86 -2.53 105.19 108.86 2bdi n GLY 184 Ca -0.13 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.52 2bdi n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bdi n GLY 185 N 0.00 0.66 3.82 -0.02 0.00 -1.26 -4.53 105.19 103.86 2bdi n GLY 185 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2bdi n GLY 185 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bdi s GLY 186 N -1.97 1.66 0.44 -0.02 0.00 -1.26 -0.27 107.32 105.90 2bdi s GLY 186 Ca 0.00 -0.91 0.22 0.00 0.00 0.00 0.00 44.72 44.03 2bdi s GLY 186 CO 0.00 -0.20 1.87 -1.61 0.00 0.00 0.00 173.10 173.16 2bdi h GLN 186 N -1.75 0.00 0.00 2.90 5.75 -1.94 -2.60 115.11 117.47 2bdi h GLN 186 Ca -0.46 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.04 2bdi h GLN 186 Cb 1.28 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.83 2bdi h GLN 186 CO 0.46 0.26 0.00 -0.40 -2.65 0.00 0.00 178.83 176.50 2bdi n ASP 186 N -3.59 0.00 -3.53 -0.69 3.85 -1.26 -4.84 116.55 106.48 2bdi n ASP 186 Ca -0.01 -0.43 -0.26 0.00 -0.71 0.00 0.00 54.79 53.39 2bdi n ASP 186 Cb 0.39 -0.02 0.02 0.00 -1.35 0.00 0.00 41.12 40.16 2bdi n ASP 186 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2bdi n GLN 187 N -1.02 -4.80 -3.44 0.11 6.02 -0.98 -4.96 117.38 108.31 2bdi n GLN 187 Ca 0.11 0.63 -0.37 0.00 -0.01 0.00 0.00 57.00 57.36 2bdi n GLN 187 Cb 0.06 -5.47 -0.07 0.00 1.02 0.00 0.00 30.24 25.78 2bdi n GLN 187 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2bdi s LYS 188 N -6.22 4.26 0.07 -1.09 1.02 -1.26 -4.45 119.74 112.06 2bdi s LYS 188 Ca 0.50 0.21 -0.28 0.00 0.02 0.00 0.00 55.97 56.43 2bdi s LYS 188 Cb -0.25 -3.46 0.09 0.00 -0.52 0.00 0.00 37.83 33.70 2bdi s LYS 188 CO 0.62 0.15 1.10 0.34 -0.92 0.00 0.00 175.35 176.64 2bdi s ASP 189 N 0.65 -0.13 0.90 2.83 2.15 -0.99 -4.18 116.67 117.91 2bdi s ASP 189 Ca 0.20 -0.26 -0.07 0.00 0.43 0.00 0.00 52.55 52.84 2bdi s ASP 189 Cb -0.14 0.34 0.12 0.00 -0.30 0.00 0.00 42.92 42.93 2bdi s ASP 189 CO 0.06 -0.62 0.71 -1.20 -0.17 0.00 0.00 175.17 173.96 2bdi n SER 190 N -0.46 0.23 -3.63 -0.34 7.64 -1.26 0.71 113.62 116.50 2bdi n SER 190 Ca -0.07 -1.36 -0.04 0.00 1.01 0.00 0.00 58.87 58.41 2bdi n SER 190 Cb 0.62 -0.53 -0.01 0.00 -1.01 0.00 0.00 64.21 63.27 2bdi n SER 190 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bdi n ASN 192 N -0.35 0.16 0.00 0.00 4.13 -1.26 -0.79 115.26 117.15 2bdi n ASN 192 Ca -0.06 1.16 0.00 0.00 1.68 0.00 0.00 54.58 57.36 2bdi n ASN 192 Cb 0.61 -0.92 0.00 0.00 -1.54 0.00 0.00 39.78 37.93 2bdi n ASN 192 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2bdi n GLY 193 N 1.81 0.21 0.67 7.41 0.00 -1.26 -0.04 105.19 113.99 2bdi n GLY 193 Ca 0.21 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.31 2bdi n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bdi n ASP 194 N 0.00 2.42 -4.61 1.61 8.00 0.03 -3.48 116.55 120.52 2bdi n ASP 194 Ca 0.00 -1.70 -0.42 0.00 0.71 0.00 0.00 54.79 53.38 2bdi n ASP 194 Cb 0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 2bdi n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2bdi n SER 195 N 0.92 1.39 0.00 -2.24 7.64 -1.26 0.18 113.62 120.24 2bdi n SER 195 Ca 0.10 1.08 0.00 0.00 1.01 0.00 0.00 58.87 61.06 2bdi n SER 195 Cb 0.41 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 2bdi n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bdi n GLY 196 N 1.16 1.83 3.67 0.23 0.00 0.24 -1.59 105.19 110.73 2bdi n GLY 196 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 2bdi n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bdi s GLY 197 N -2.00 1.63 0.33 -0.02 0.00 0.13 -3.50 107.32 103.88 2bdi s GLY 197 Ca 0.00 0.13 -0.17 0.00 0.00 0.00 0.00 44.72 44.68 2bdi s GLY 197 CO 0.00 0.63 0.78 2.56 0.00 0.00 0.00 173.10 177.06 2bdi s PRO 198 N -4.77 4.09 -0.25 2.90 0.04 -1.26 -0.49 135.00 135.26 2bdi s PRO 198 Ca 0.65 0.79 0.00 0.00 0.04 0.00 0.00 61.00 62.48 2bdi s PRO 198 Cb -0.20 -2.47 0.07 0.00 0.04 0.00 0.00 34.50 31.94 2bdi s PRO 198 CO 0.59 0.16 0.01 -1.17 0.04 0.00 0.00 177.00 176.63 2bdi s LEU 199 N -2.84 2.47 0.01 -3.56 2.96 -0.16 -3.35 118.68 114.20 2bdi s LEU 199 Ca 0.54 -1.31 -0.09 0.00 -0.22 0.00 0.00 54.13 53.04 2bdi s LEU 199 Cb -0.11 -1.05 -0.05 0.00 0.50 0.00 0.00 46.19 45.48 2bdi s LEU 199 CO 0.17 -0.30 0.32 -0.63 -1.32 0.00 0.00 176.35 174.59 2bdi s ILE 200 N 1.48 5.21 -0.35 6.68 -1.09 0.23 0.54 121.20 133.89 2bdi s ILE 200 Ca 0.00 0.40 0.01 0.00 -2.23 0.00 0.00 60.65 58.84 2bdi s ILE 200 Cb -0.18 -3.60 0.15 0.00 -1.58 0.00 0.00 42.46 37.24 2bdi s ILE 200 CO -0.11 0.42 0.30 0.00 -1.23 0.00 0.00 174.94 174.32 2bdi n ASN 202 N 4.28 -2.53 0.00 0.00 5.03 -1.26 -3.49 115.26 117.29 2bdi n ASN 202 Ca 0.10 -0.27 0.00 0.00 0.87 0.00 0.00 54.58 55.28 2bdi n ASN 202 Cb 0.42 -2.59 0.00 0.00 -1.02 0.00 0.00 39.78 36.59 2bdi n ASN 202 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2bdi n GLY 203 N -1.09 0.19 3.61 7.41 0.00 -1.26 -5.00 105.19 109.05 2bdi n GLY 203 Ca -0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 2bdi n GLY 203 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bdi s TYR 208 N -1.43 2.71 -0.49 1.61 1.51 -1.23 -4.73 117.35 115.31 2bdi s TYR 208 Ca 0.00 -0.19 -0.29 0.00 -1.01 0.00 0.00 57.07 55.58 2bdi s TYR 208 Cb 0.00 -1.30 0.03 0.00 -0.11 0.00 0.00 41.96 40.58 2bdi s TYR 208 CO 0.00 0.53 1.20 -1.17 -1.11 0.00 0.00 175.55 175.01 2bdi s LEU 209 N -3.02 3.58 -0.16 -1.29 2.96 0.32 -0.29 118.68 120.77 2bdi s LEU 209 Ca 0.27 0.45 -0.05 0.00 -0.22 0.00 0.00 54.13 54.57 2bdi s LEU 209 Cb -0.08 -3.46 -0.23 0.00 0.50 0.00 0.00 46.19 42.91 2bdi s LEU 209 CO 0.17 -1.35 0.19 1.67 -1.32 0.00 0.00 176.35 175.72 2bdi n GLN 210 N 8.03 0.72 -3.90 1.98 -0.06 0.19 -0.35 117.38 123.98 2bdi n GLN 210 Ca 0.12 0.25 -0.11 0.00 -2.00 0.00 0.00 57.00 55.26 2bdi n GLN 210 Cb 0.49 -1.66 0.01 0.00 -4.06 0.00 0.00 30.24 25.02 2bdi n GLN 210 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 2bdi s GLY 211 N -5.79 0.82 0.00 1.69 0.00 -0.79 -2.97 107.32 100.28 2bdi s GLY 211 Ca -0.26 -1.06 0.06 0.00 0.00 0.00 0.00 44.72 43.46 2bdi s GLY 211 CO 0.71 -0.57 -0.20 1.08 0.00 0.00 0.00 173.10 174.13 2bdi s LEU 212 N -3.15 2.08 -0.12 0.66 1.43 -1.22 -0.99 118.68 117.38 2bdi s LEU 212 Ca 0.21 -0.41 -0.29 0.00 -1.03 0.00 0.00 54.13 52.61 2bdi s LEU 212 Cb -0.04 -0.98 -0.06 0.00 0.03 0.00 0.00 46.19 45.14 2bdi s LEU 212 CO 0.15 0.21 2.03 -0.69 0.23 0.00 0.00 176.35 178.28 2bdi s VAL 213 N -0.57 3.12 0.00 -1.59 1.01 0.36 -0.61 120.40 122.11 2bdi s VAL 213 Ca 0.07 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.19 2bdi s VAL 213 Cb -0.08 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.18 2bdi s VAL 213 CO 0.00 -0.05 0.00 -0.24 0.00 0.00 0.00 175.10 174.81 2bdi n SER 214 N 9.62 0.00 -3.00 3.32 2.88 -1.04 0.82 113.62 126.21 2bdi n SER 214 Ca 0.24 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.68 2bdi n SER 214 Cb 0.44 -0.27 0.01 0.00 -0.75 0.00 0.00 64.21 63.64 2bdi n SER 214 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2bdi s PHE 215 N -0.73 0.36 0.00 0.66 -0.12 -1.13 -4.88 117.98 112.14 2bdi s PHE 215 Ca 0.00 -0.93 0.00 0.00 -0.05 0.00 0.00 56.93 55.95 2bdi s PHE 215 Cb 0.00 0.60 0.00 0.00 -0.63 0.00 0.00 43.02 42.99 2bdi s PHE 215 CO 0.00 -1.46 0.00 0.41 -0.05 0.00 0.00 175.22 174.12 2bdi n GLY 216 N -0.54 0.57 3.70 1.99 0.00 -1.26 0.44 105.19 110.08 2bdi n GLY 216 Ca -0.06 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 2bdi n GLY 216 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bdi s LYS 217 N -2.00 1.36 0.11 1.61 1.02 -1.26 -5.01 119.74 115.57 2bdi s LYS 217 Ca 0.00 1.47 0.09 0.00 0.02 0.00 0.00 55.97 57.55 2bdi s LYS 217 Cb 0.00 -1.77 -0.04 0.00 -0.52 0.00 0.00 37.83 35.50 2bdi s LYS 217 CO 0.00 -2.37 -0.21 0.00 -0.92 0.00 0.00 175.35 171.85 2bdi s ALA 218 N -2.68 1.91 1.06 5.17 0.00 -1.26 -3.93 121.76 122.03 2bdi s ALA 218 Ca 0.66 -1.31 -0.13 0.00 0.00 0.00 0.00 51.96 51.18 2bdi s ALA 218 Cb -0.22 -0.26 0.22 0.00 0.00 0.00 0.00 23.12 22.87 2bdi s ALA 218 CO 0.57 0.37 1.08 -1.25 0.00 0.00 0.00 175.76 176.53 2bdi s PRO 219 N -2.03 -0.10 1.07 0.00 0.04 -1.26 -5.11 135.00 127.60 2bdi s PRO 219 Ca 0.09 0.46 -0.18 0.00 0.04 0.00 0.00 61.00 61.41 2bdi s PRO 219 Cb -0.10 -1.68 0.25 0.00 0.04 0.00 0.00 34.50 33.01 2bdi s PRO 219 CO 0.05 -3.08 1.26 0.00 0.04 0.00 0.00 177.00 175.27 2bdi n GLY 220 N -2.81 -0.41 3.79 0.00 0.00 -1.26 -4.95 105.19 99.55 2bdi n GLY 220 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 2bdi n GLY 220 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bdi s GLN 221 N -4.96 4.45 0.21 1.61 -0.21 -1.26 -4.60 119.66 114.90 2bdi s GLN 221 Ca 0.00 1.08 -0.31 0.00 0.02 0.00 0.00 55.36 56.16 2bdi s GLN 221 Cb 0.00 -3.03 -0.10 0.00 1.00 0.00 0.00 33.01 30.88 2bdi s GLN 221 CO 0.00 0.45 1.46 0.08 -2.12 0.00 0.00 175.29 175.16 2bdi s VAL 222 N -1.38 2.76 0.00 1.09 1.01 -1.26 -1.95 120.40 120.67 2bdi s VAL 222 Ca 0.41 0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.99 2bdi s VAL 222 Cb -0.20 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.80 2bdi s VAL 222 CO 0.24 0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.03 2bdi n GLY 223 N 2.76 0.79 2.78 4.51 0.00 0.63 -4.95 105.19 111.71 2bdi n GLY 223 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 2bdi n GLY 223 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bdi s VAL 224 N -3.12 1.65 0.88 1.61 1.01 -0.82 -5.02 120.40 116.59 2bdi s VAL 224 Ca 0.00 -2.59 -0.12 0.00 0.00 0.00 0.00 61.98 59.27 2bdi s VAL 224 Cb 0.00 -2.17 0.12 0.00 0.00 0.00 0.00 36.38 34.34 2bdi s VAL 224 CO 0.00 -0.84 1.10 -2.16 0.00 0.00 0.00 175.10 173.20 2bdi s PRO 225 N 0.38 1.36 0.34 2.72 0.04 -1.26 -4.31 135.00 134.26 2bdi s PRO 225 Ca 0.16 0.70 -0.01 0.00 0.04 0.00 0.00 61.00 61.90 2bdi s PRO 225 Cb -0.24 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 2bdi s PRO 225 CO -0.03 -2.14 0.56 0.20 0.04 0.00 0.00 177.00 175.64 2bdi s GLY 226 N -3.59 1.43 -0.06 0.56 0.00 -1.05 -4.67 107.32 99.95 2bdi s GLY 226 Ca 0.63 -0.83 -0.03 0.00 0.00 0.00 0.00 44.72 44.49 2bdi s GLY 226 CO 0.56 -0.76 0.10 0.14 0.00 0.00 0.00 173.10 173.15 2bdi s VAL 227 N -2.30 5.03 0.04 1.40 1.01 0.17 -1.86 120.40 123.89 2bdi s VAL 227 Ca 0.41 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.28 2bdi s VAL 227 Cb -0.10 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 2bdi s VAL 227 CO 0.36 0.48 -0.08 -0.31 0.00 0.00 0.00 175.10 175.55 2bdi s TYR 228 N -1.10 0.71 0.15 5.22 1.51 0.70 -2.50 117.35 122.03 2bdi s TYR 228 Ca 0.19 -0.46 -0.31 0.00 -1.01 0.00 0.00 57.07 55.48 2bdi s TYR 228 Cb -0.12 -0.42 -0.09 0.00 -0.11 0.00 0.00 41.96 41.22 2bdi s TYR 228 CO 0.09 -0.06 1.47 0.99 -1.11 0.00 0.00 175.55 176.93 2bdi s THR 229 N -1.25 2.96 -1.25 -0.71 2.01 0.22 -0.90 115.64 116.73 2bdi s THR 229 Ca -0.08 0.70 -0.15 0.00 0.31 0.00 0.00 61.69 62.47 2bdi s THR 229 Cb -0.09 -3.45 0.13 0.00 0.01 0.00 0.00 72.50 69.10 2bdi s THR 229 CO 0.01 0.06 1.58 -3.20 -0.69 0.00 0.00 174.62 172.38 2bdi n ASN 230 N 3.84 5.09 -0.31 3.53 5.15 -0.58 -3.40 115.26 128.58 2bdi n ASN 230 Ca 0.12 -2.96 0.11 0.00 -0.60 0.00 0.00 54.58 51.25 2bdi n ASN 230 Cb 0.40 -1.63 0.34 0.00 -0.53 0.00 0.00 39.78 38.36 2bdi n ASN 230 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2bdi h LEU 231 N 10.62 0.74 0.00 1.20 3.38 -1.86 0.15 115.31 129.54 2bdi h LEU 231 Ca 0.37 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.40 2bdi h LEU 231 Cb 0.85 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2bdi h LEU 231 CO 1.35 0.36 0.14 0.00 0.09 0.00 0.00 178.44 180.39 2bdi n LYS 233 N -1.21 0.17 -0.25 0.00 4.76 0.04 -4.46 118.16 117.21 2bdi n LYS 233 Ca 0.00 -0.03 0.08 0.00 -2.87 0.00 0.00 58.31 55.50 2bdi n LYS 233 Cb 0.14 -1.53 0.17 0.00 -1.84 0.00 0.00 35.03 31.97 2bdi n LYS 233 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2bdi n PHE 234 N -1.73 0.15 0.22 2.13 3.72 0.28 -4.79 117.46 117.44 2bdi n PHE 234 Ca 0.02 -1.11 -0.16 0.00 -0.05 0.00 0.00 57.45 56.15 2bdi n PHE 234 Cb 0.39 -0.20 -0.08 0.00 -0.94 0.00 0.00 39.48 38.65 2bdi n PHE 234 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 2bdi h THR 235 N 0.43 0.14 -0.62 4.37 1.35 -1.77 0.51 112.91 117.32 2bdi h THR 235 Ca 0.01 0.00 0.13 0.00 -0.55 0.00 0.00 66.41 66.00 2bdi h THR 235 Cb 1.08 0.14 -0.10 0.00 -1.73 0.00 0.00 68.15 67.54 2bdi h THR 235 CO 0.04 0.00 0.04 -0.08 -0.25 0.00 0.00 175.52 175.27 2bdi h GLU 236 N -0.82 0.15 -0.14 4.72 4.81 -1.94 0.92 114.58 122.27 2bdi h GLU 236 Ca -0.03 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2bdi h GLU 236 Cb 0.75 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 2bdi h GLU 236 CO -0.11 0.10 0.04 2.35 -0.73 0.00 0.00 179.01 180.66 2bdi h TRP 237 N 0.15 0.23 -0.74 0.92 7.01 -1.79 -0.24 115.95 121.49 2bdi h TRP 237 Ca 0.33 -0.02 0.12 0.00 2.11 0.00 0.00 58.89 61.43 2bdi h TRP 237 Cb 0.53 -0.07 -0.05 0.00 -2.10 0.00 0.00 29.16 27.47 2bdi h TRP 237 CO -0.34 0.35 0.49 0.82 -2.79 0.00 0.00 178.44 176.97 2bdi h ILE 238 N 0.05 0.86 0.35 2.65 2.04 0.12 -2.10 117.51 121.49 2bdi h ILE 238 Ca 0.05 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 2bdi h ILE 238 Cb 0.23 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 2bdi h ILE 238 CO -0.00 0.10 -0.17 -0.08 0.00 0.00 0.00 178.15 178.00 2bdi h GLU 239 N 0.52 -0.45 -0.78 2.37 4.57 -0.25 -1.43 114.58 119.13 2bdi h GLU 239 Ca 0.35 0.03 0.23 0.00 -1.18 0.00 0.00 59.36 58.79 2bdi h GLU 239 Cb 0.65 0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.32 2bdi h GLU 239 CO -0.12 -0.30 0.76 -0.22 -1.18 0.00 0.00 179.01 177.95 2bdi h LYS 240 N -1.01 0.00 0.00 1.92 3.64 -0.96 -0.41 116.57 119.75 2bdi h LYS 240 Ca -0.05 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 2bdi h LYS 240 Cb 0.36 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2bdi h LYS 240 CO 0.08 0.00 -0.35 1.15 -2.27 0.00 0.00 179.45 178.06 2bdi h THR 241 N 0.00 0.36 -0.72 1.00 2.02 -1.36 -3.12 112.91 111.09 2bdi h THR 241 Ca 0.37 -1.34 0.08 0.00 0.77 0.00 0.00 66.41 66.29 2bdi h THR 241 Cb 1.89 0.75 -0.07 0.00 -1.74 0.00 0.00 68.15 68.99 2bdi h THR 241 CO -0.00 0.12 0.39 0.58 0.37 0.00 0.00 175.52 176.98 2bdi h VAL 242 N -1.00 0.91 0.00 3.16 2.07 -0.42 -3.36 116.25 117.61 2bdi h VAL 242 Ca -0.05 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2bdi h VAL 242 Cb 0.49 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2bdi h VAL 242 CO -0.03 0.12 0.00 1.67 0.02 0.00 0.00 177.57 179.36 2bdi n GLN 243 N -4.81 0.00 0.00 1.57 -0.06 -0.24 -5.09 117.38 108.75 2bdi n GLN 243 Ca 0.11 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.11 2bdi n GLN 243 Cb 0.23 -0.06 0.00 0.00 -4.06 0.00 0.00 30.24 26.36 2bdi n GLN 243 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86