#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 4.85 -1.16 1.39 -1.09 0.18 -4.04 121.20 121.33 2bdi s ILE 17 Ca 0.00 0.00 -0.04 0.00 -2.23 0.00 0.00 60.65 58.38 2bdi s ILE 17 Cb 0.00 -3.25 0.00 0.00 -1.58 0.00 0.00 42.46 37.64 2bdi s ILE 17 CO 0.00 0.37 1.00 0.59 -1.23 0.00 0.00 174.94 175.66 2bdi n ASN 18 N 4.36 -4.19 -0.14 3.58 5.03 -1.26 -2.13 115.26 120.50 2bdi n ASN 18 Ca -0.16 -0.52 0.00 0.00 0.87 0.00 0.00 54.58 54.77 2bdi n ASN 18 Cb 0.52 -4.64 0.00 0.00 -1.02 0.00 0.00 39.78 34.64 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 -1.53 7.55 3.29 7.41 0.00 -1.26 -4.83 105.19 115.82 2bdi n GLY 19 Ca -0.11 -2.04 -0.10 0.00 0.00 0.00 0.00 46.02 43.77 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 0.81 1.12 0.24 1.61 2.02 -1.11 -4.92 118.70 118.46 2bdi s GLU 20 Ca 0.00 -1.29 -0.31 0.00 0.02 0.00 0.00 54.97 53.39 2bdi s GLU 20 Cb 0.00 0.34 -0.13 0.00 0.10 0.00 0.00 34.13 34.43 2bdi s GLU 20 CO 0.00 -0.39 1.46 -0.25 0.02 0.00 0.00 175.26 176.10 2bdi n ASP 21 N -0.19 2.96 -4.78 -0.19 9.92 -1.26 -1.12 116.55 121.88 2bdi n ASP 21 Ca -0.06 1.13 -0.34 0.00 -0.53 0.00 0.00 54.79 55.00 2bdi n ASP 21 Cb 0.63 -1.45 0.01 0.00 -0.64 0.00 0.00 41.12 39.67 2bdi n ASP 21 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2bdi s SER 23 N -2.10 6.31 -0.37 0.00 0.15 -1.26 -4.81 113.70 111.62 2bdi s SER 23 Ca 0.69 2.08 -0.39 0.00 0.70 0.00 0.00 55.95 59.03 2bdi s SER 23 Cb -0.21 -2.53 -0.17 0.00 -1.71 0.00 0.00 66.02 61.40 2bdi s SER 23 CO 0.30 -1.24 1.31 -2.65 1.20 0.00 0.00 173.24 172.16 2bdi n PRO 24 N 7.68 0.00 -1.55 5.44 -0.02 -1.26 0.12 135.00 145.41 2bdi n PRO 24 Ca 0.20 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.55 2bdi n PRO 24 Cb 0.44 -1.28 -0.05 0.00 -0.02 0.00 0.00 33.50 32.59 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 3.15 -0.12 0.65 6.00 8.25 -1.26 -4.89 115.22 127.01 2bdi n HIS 25 Ca 0.25 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.83 2bdi n HIS 25 Cb -0.04 -2.52 0.46 0.00 1.12 0.00 0.00 29.99 29.02 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 -0.25 0.39 -3.31 0.41 3.41 0.32 -3.92 113.62 110.67 2bdi n SER 26 Ca -0.14 0.56 -0.26 0.00 -0.26 0.00 0.00 58.87 58.78 2bdi n SER 26 Cb 0.48 -0.66 -0.08 0.00 -0.26 0.00 0.00 64.21 63.69 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 -1.89 1.66 0.04 4.33 1.13 -1.26 -4.97 117.38 116.42 2bdi n GLN 27 Ca 0.05 -3.98 0.03 0.00 -1.94 0.00 0.00 57.00 51.15 2bdi n GLN 27 Cb 0.31 -1.76 0.15 0.00 0.11 0.00 0.00 30.24 29.05 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 1.13 0.04 0.00 -1.09 -0.04 -1.25 -1.56 135.00 132.22 2bdi n PRO 28 Ca 0.26 0.53 0.13 0.00 -0.04 0.00 0.00 63.50 64.37 2bdi n PRO 28 Cb 0.47 -1.64 0.35 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 -1.69 0.00 -2.09 0.54 2.14 -1.04 -2.36 117.44 112.94 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 0.02 -0.15 -0.03 0.00 -0.81 0.00 0.00 31.31 30.34 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 -2.62 4.27 -0.13 -2.67 2.00 -0.60 -1.04 119.66 118.86 2bdi s GLN 30 Ca 0.21 2.15 0.01 0.00 -2.00 0.00 0.00 55.36 55.74 2bdi s GLN 30 Cb 0.19 -3.39 -0.01 0.00 0.80 0.00 0.00 33.01 30.61 2bdi s GLN 30 CO 0.56 -0.56 -0.17 0.00 -0.50 0.00 0.00 175.29 174.62 2bdi s ALA 31 N 1.75 2.46 -0.10 1.58 0.00 -0.01 -4.34 121.76 123.10 2bdi s ALA 31 Ca 0.67 -0.96 -0.09 0.00 0.00 0.00 0.00 51.96 51.58 2bdi s ALA 31 Cb -0.37 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.59 2bdi s ALA 31 CO 0.30 0.18 0.21 0.00 0.00 0.00 0.00 175.76 176.44 2bdi s ALA 32 N 0.48 3.81 -0.30 0.00 0.00 -0.61 0.19 121.76 125.33 2bdi s ALA 32 Ca -0.11 -0.54 -0.03 0.00 0.00 0.00 0.00 51.96 51.27 2bdi s ALA 32 Cb -0.16 -2.10 0.04 0.00 0.00 0.00 0.00 23.12 20.90 2bdi s ALA 32 CO 0.05 0.53 0.02 -0.51 0.00 0.00 0.00 175.76 175.84 2bdi s LEU 33 N -0.85 3.88 0.05 0.00 1.02 -0.57 -0.97 118.68 121.23 2bdi s LEU 33 Ca 0.16 -1.14 0.06 0.00 0.02 0.00 0.00 54.13 53.24 2bdi s LEU 33 Cb -0.13 -1.75 -0.04 0.00 0.02 0.00 0.00 46.19 44.29 2bdi s LEU 33 CO 0.06 -0.25 -0.12 0.68 0.02 0.00 0.00 176.35 176.74 2bdi s VAL 34 N 1.32 3.25 0.00 -1.59 -7.23 -1.13 -1.51 120.40 113.51 2bdi s VAL 34 Ca -0.03 -1.08 0.00 0.00 -1.81 0.00 0.00 61.98 59.06 2bdi s VAL 34 Cb -0.19 -2.43 0.00 0.00 0.56 0.00 0.00 36.38 34.32 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 1.28 3.70 -0.23 4.82 2.81 0.72 -3.75 117.12 126.47 2bdi n MET 35 Ca -0.15 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.68 2bdi n MET 35 Cb 0.52 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.98 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 -0.25 -0.48 0.03 4.71 -1.26 -3.68 120.64 119.71 2bdi n GLU 36 Ca 0.00 0.85 0.00 0.00 -0.01 0.00 0.00 57.16 58.00 2bdi n GLU 36 Cb 0.00 -1.25 0.00 0.00 -1.01 0.00 0.00 31.44 29.18 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 -4.68 0.00 -4.14 1.62 4.13 -1.26 -5.13 115.26 105.80 2bdi n ASN 37 Ca 0.01 -1.15 -0.10 0.00 1.68 0.00 0.00 54.58 55.02 2bdi n ASN 37 Cb 0.15 -0.03 -0.10 0.00 -1.54 0.00 0.00 39.78 38.25 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 0.76 0.08 3.52 2.12 -1.24 -5.13 118.70 118.81 2bdi s GLU 38 Ca 0.00 -1.29 -0.27 0.00 0.36 0.00 0.00 54.97 53.78 2bdi s GLU 38 Cb 0.00 -0.08 -0.06 0.00 0.26 0.00 0.00 34.13 34.25 2bdi s GLU 38 CO 0.00 -0.04 0.83 -1.17 -0.54 0.00 0.00 175.26 174.34 2bdi s LEU 40 N -2.98 4.49 0.00 2.70 1.98 -1.26 -0.20 118.68 123.41 2bdi s LEU 40 Ca 0.10 1.59 0.00 0.00 -2.89 0.00 0.00 54.13 52.93 2bdi s LEU 40 Cb 0.06 -3.36 0.00 0.00 0.66 0.00 0.00 46.19 43.55 2bdi s LEU 40 CO -0.06 0.02 0.00 2.22 -1.89 0.00 0.00 176.35 176.63 2bdi n PHE 41 N 2.62 0.00 -3.83 5.38 -1.74 -0.57 -4.94 117.46 114.38 2bdi n PHE 41 Ca -0.01 0.00 -0.07 0.00 -0.56 0.00 0.00 57.45 56.81 2bdi n PHE 41 Cb 0.50 0.00 0.03 0.00 1.52 0.00 0.00 39.48 41.52 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 -3.20 1.11 0.30 0.00 0.01 -0.45 -1.52 113.70 109.94 2bdi s SER 43 Ca 0.18 -1.51 -0.10 0.00 1.31 0.00 0.00 55.95 55.83 2bdi s SER 43 Cb -0.04 0.37 0.01 0.00 0.21 0.00 0.00 66.02 66.57 2bdi s SER 43 CO 0.09 -0.87 0.53 -0.83 0.41 0.00 0.00 173.24 172.57 2bdi s GLY 44 N -3.30 0.79 -0.09 3.44 0.00 0.13 -4.16 107.32 104.13 2bdi s GLY 44 Ca 0.38 -1.05 0.02 0.00 0.00 0.00 0.00 44.72 44.07 2bdi s GLY 44 CO 0.17 -0.68 -0.12 0.14 0.00 0.00 0.00 173.10 172.60 2bdi s VAL 45 N -3.45 1.21 -0.53 1.40 1.01 0.28 -0.83 120.40 119.48 2bdi s VAL 45 Ca 0.24 -0.48 -0.27 0.00 0.00 0.00 0.00 61.98 61.46 2bdi s VAL 45 Cb -0.01 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 2bdi s VAL 45 CO 0.13 0.38 1.77 -0.22 0.00 0.00 0.00 175.10 177.16 2bdi s LEU 46 N 0.97 3.36 0.00 3.92 2.96 -0.21 0.40 118.68 130.09 2bdi s LEU 46 Ca -0.08 0.57 0.20 0.00 -0.22 0.00 0.00 54.13 54.59 2bdi s LEU 46 Cb -0.15 -2.86 0.33 0.00 0.50 0.00 0.00 46.19 44.02 2bdi s LEU 46 CO -0.00 -2.11 1.28 1.33 -1.32 0.00 0.00 176.35 175.53 2bdi n VAL 47 N 7.21 0.44 -3.57 1.68 0.24 -0.93 -1.32 118.33 122.08 2bdi n VAL 47 Ca 0.20 -0.72 -0.06 0.00 -2.04 0.00 0.00 64.34 61.72 2bdi n VAL 47 Cb 0.50 1.02 -0.03 0.00 -1.47 0.00 0.00 33.84 33.87 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 -1.39 -0.22 0.38 6.34 5.65 -1.17 -4.73 115.29 120.14 2bdi s HIS 48 Ca 0.32 0.19 0.11 0.00 0.25 0.00 0.00 55.06 55.93 2bdi s HIS 48 Cb 0.19 0.51 0.88 0.00 -1.18 0.00 0.00 32.58 32.98 2bdi s HIS 48 CO 0.27 -0.31 1.90 -1.35 -0.65 0.00 0.00 174.74 174.59 2bdi h PRO 49 N 2.08 0.60 -0.15 2.88 0.11 -1.93 -2.63 132.00 132.97 2bdi h PRO 49 Ca -0.14 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.89 2bdi h PRO 49 Cb 1.19 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 2bdi h PRO 49 CO 0.26 0.40 -0.11 0.94 -0.21 0.00 0.00 178.00 179.28 2bdi n GLN 50 N -4.52 1.90 -3.76 1.05 7.27 -1.26 -1.56 117.38 116.49 2bdi n GLN 50 Ca 0.15 -2.92 -0.15 0.00 0.07 0.00 0.00 57.00 54.16 2bdi n GLN 50 Cb 0.45 -1.69 -0.15 0.00 2.41 0.00 0.00 30.24 31.26 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 -3.02 -0.05 -0.19 3.69 0.52 -0.99 -1.32 118.94 117.58 2bdi s TRP 51 Ca 0.39 0.29 -0.02 0.00 0.02 0.00 0.00 56.10 56.78 2bdi s TRP 51 Cb 0.34 -0.18 -0.01 0.00 -1.15 0.00 0.00 33.47 32.48 2bdi s TRP 51 CO 0.02 -0.13 -0.09 0.08 0.02 0.00 0.00 176.95 176.85 2bdi s VAL 52 N 1.17 3.08 0.16 4.03 1.01 0.69 -2.19 120.40 128.35 2bdi s VAL 52 Ca -0.09 -0.61 -0.23 0.00 0.00 0.00 0.00 61.98 61.06 2bdi s VAL 52 Cb -0.12 -2.36 -0.08 0.00 0.00 0.00 0.00 36.38 33.82 2bdi s VAL 52 CO -0.04 0.47 0.72 -0.22 0.00 0.00 0.00 175.10 176.03 2bdi s LEU 53 N 1.13 4.52 0.00 3.92 2.96 0.16 -0.24 118.68 131.13 2bdi s LEU 53 Ca 0.01 1.51 -0.11 0.00 -0.22 0.00 0.00 54.13 55.33 2bdi s LEU 53 Cb -0.14 -3.29 0.04 0.00 0.50 0.00 0.00 46.19 43.29 2bdi s LEU 53 CO -0.02 0.18 0.55 -0.24 -1.32 0.00 0.00 176.35 175.49 2bdi n SER 54 N 1.39 -1.45 -4.74 3.68 2.88 0.11 0.10 113.62 115.60 2bdi n SER 54 Ca -0.06 -1.97 -0.39 0.00 -1.33 0.00 0.00 58.87 55.13 2bdi n SER 54 Cb 0.50 2.40 -0.05 0.00 -0.75 0.00 0.00 64.21 66.30 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 -1.70 3.42 0.48 -1.46 0.00 -1.26 0.31 121.76 121.53 2bdi s ALA 55 Ca 0.11 0.05 0.24 0.00 0.00 0.00 0.00 51.96 52.37 2bdi s ALA 55 Cb -0.03 -2.83 1.28 0.00 0.00 0.00 0.00 23.12 21.54 2bdi s ALA 55 CO 0.07 0.03 1.87 0.00 0.00 0.00 0.00 175.76 177.73 2bdi h ALA 56 N 6.25 2.52 0.00 0.00 0.00 -1.60 0.17 119.26 126.60 2bdi h ALA 56 Ca -0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2bdi h ALA 56 Cb 1.20 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2bdi h ALA 56 CO 0.73 -0.80 0.00 -2.39 0.00 0.00 0.00 179.25 176.79 2bdi n HIS 57 N -4.40 0.00 0.27 0.00 1.44 -1.26 -2.43 115.22 108.84 2bdi n HIS 57 Ca 0.19 -0.04 0.03 0.00 -2.01 0.00 0.00 57.72 55.89 2bdi n HIS 57 Cb 0.84 -0.10 0.01 0.00 0.12 0.00 0.00 29.99 30.85 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 -0.18 0.65 -4.16 0.00 7.35 -1.02 -5.01 117.46 115.09 2bdi n PHE 59 Ca 0.03 0.81 -0.14 0.00 -0.76 0.00 0.00 57.45 57.39 2bdi n PHE 59 Cb 0.14 -2.15 -0.07 0.00 0.35 0.00 0.00 39.48 37.74 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 -1.06 1.55 0.06 -4.13 -1.52 -1.26 -5.05 119.66 108.24 2bdi s GLN 60 Ca 0.65 -1.68 0.11 0.00 -1.95 0.00 0.00 55.36 52.49 2bdi s GLN 60 Cb -0.84 0.36 -0.20 0.00 -0.22 0.00 0.00 33.01 32.12 2bdi s GLN 60 CO 0.57 -0.59 0.99 -0.91 -0.25 0.00 0.00 175.29 175.11 2bdi h ASN 61 N 2.33 0.00 -3.97 5.90 2.35 -1.95 -3.46 115.58 116.78 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 39.38 2bdi h ASN 61 CO 0.43 0.94 -0.23 -0.94 -1.65 0.00 0.00 177.43 175.98 2bdi s SER 62 N -6.36 -0.42 0.25 5.81 1.04 -1.26 -4.62 113.70 108.14 2bdi s SER 62 Ca -0.01 0.78 0.11 0.00 0.48 0.00 0.00 55.95 57.30 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 -0.17 -0.13 -0.31 0.98 0.00 0.00 173.24 174.43 2bdi s TYR 63 N 0.10 2.47 -0.56 5.02 1.51 0.04 -5.01 117.35 120.92 2bdi s TYR 63 Ca -0.01 -0.28 0.04 0.00 -1.01 0.00 0.00 57.07 55.81 2bdi s TYR 63 Cb -0.03 -1.12 0.14 0.00 -0.11 0.00 0.00 41.96 40.85 2bdi s TYR 63 CO 0.01 0.63 0.32 0.99 -1.11 0.00 0.00 175.55 176.39 2bdi s THR 64 N -2.24 2.53 0.05 -0.71 2.01 -1.25 -2.59 115.64 113.44 2bdi s THR 64 Ca 0.29 -3.49 -0.28 0.00 0.31 0.00 0.00 61.69 58.52 2bdi s THR 64 Cb -0.06 -2.73 -0.05 0.00 0.01 0.00 0.00 72.50 69.67 2bdi s THR 64 CO 0.16 -0.87 0.88 -0.63 -0.69 0.00 0.00 174.62 173.47 2bdi s ILE 65 N -0.53 4.69 -0.25 1.82 1.01 -0.92 -2.84 121.20 124.18 2bdi s ILE 65 Ca 0.19 1.86 -0.05 0.00 0.00 0.00 0.00 60.65 62.66 2bdi s ILE 65 Cb -0.20 -4.23 0.00 0.00 0.01 0.00 0.00 42.46 38.04 2bdi s ILE 65 CO -0.05 0.30 0.01 -0.83 0.00 0.00 0.00 174.94 174.38 2bdi s GLY 66 N 0.22 1.69 0.21 6.18 0.00 -0.15 -1.60 107.32 113.88 2bdi s GLY 66 Ca 0.44 -1.31 0.06 0.00 0.00 0.00 0.00 44.72 43.91 2bdi s GLY 66 CO 0.26 0.53 0.19 1.08 0.00 0.00 0.00 173.10 175.17 2bdi s LEU 67 N 1.48 3.89 -1.49 0.66 1.43 -0.54 -1.57 118.68 122.54 2bdi s LEU 67 Ca 0.04 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 2bdi s LEU 67 Cb -0.16 -2.46 0.00 0.00 0.03 0.00 0.00 46.19 43.61 2bdi s LEU 67 CO -0.01 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.19 2bdi n GLY 69 N -0.84 1.42 3.95 -3.19 0.00 -1.26 -1.69 105.19 103.59 2bdi n GLY 69 Ca -0.08 -0.22 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.19 2.94 0.00 0.99 1.43 -1.26 -4.13 118.68 115.46 2bdi s LEU 70 Ca 0.00 0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 2bdi s LEU 70 Cb 0.00 -2.80 0.00 0.00 0.03 0.00 0.00 46.19 43.42 2bdi s LEU 70 CO 0.00 -1.63 0.00 1.57 0.23 0.00 0.00 176.35 176.52 2bdi n HIS 71 N -2.85 -0.20 -4.28 0.29 -0.00 -1.26 -4.67 115.22 102.25 2bdi n HIS 71 Ca 0.10 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.55 2bdi n HIS 71 Cb 0.60 0.10 -0.09 0.00 -0.00 0.00 0.00 29.99 30.61 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 -2.53 4.36 0.57 0.26 1.04 -1.26 -1.25 113.70 114.88 2bdi s SER 72 Ca 0.00 -0.55 0.35 0.00 0.48 0.00 0.00 55.95 56.23 2bdi s SER 72 Cb 0.00 -0.78 1.63 0.00 0.10 0.00 0.00 66.02 66.98 2bdi s SER 72 CO 0.00 0.09 2.09 -0.07 0.98 0.00 0.00 173.24 176.33 2bdi h LEU 73 N 2.81 0.00 -7.87 2.42 3.38 -1.95 -3.38 115.31 110.72 2bdi h LEU 73 Ca -0.47 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.24 2bdi h LEU 73 Cb 1.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 2bdi h LEU 73 CO 0.55 0.03 0.86 -0.62 0.09 0.00 0.00 178.44 179.36 2bdi n GLU 74 N -3.18 1.11 -0.32 1.13 -0.58 -1.26 -4.81 120.64 112.72 2bdi n GLU 74 Ca -0.01 -2.16 0.19 0.00 -0.42 0.00 0.00 57.16 54.76 2bdi n GLU 74 Cb 0.24 -3.70 0.39 0.00 -0.57 0.00 0.00 31.44 27.80 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 10.15 1.63 -0.23 0.62 0.00 -1.95 -1.80 119.26 127.68 2bdi h ALA 74 Ca 0.17 0.22 -0.29 0.00 0.00 0.00 0.00 54.91 55.01 2bdi h ALA 74 Cb 0.93 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 18.87 2bdi h ALA 74 CO 1.24 -0.54 -0.00 -0.40 0.00 0.00 0.00 179.25 179.55 2bdi n ASP 75 N -5.16 5.80 0.00 0.00 5.75 -1.26 -2.00 116.55 119.68 2bdi n ASP 75 Ca 0.27 -2.78 0.00 0.00 -0.01 0.00 0.00 54.79 52.27 2bdi n ASP 75 Cb 0.86 -1.29 0.00 0.00 -1.03 0.00 0.00 41.12 39.65 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 1.63 0.00 -3.99 0.11 6.02 -0.68 -5.05 117.38 115.41 2bdi n GLN 76 Ca 0.39 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 57.08 2bdi n GLN 76 Cb 0.72 -0.14 -0.16 0.00 1.02 0.00 0.00 30.24 31.68 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 2.04 0.00 -1.09 0.41 -0.85 -5.03 118.70 114.18 2bdi s GLU 77 Ca 0.00 -0.73 0.00 0.00 -0.41 0.00 0.00 54.97 53.83 2bdi s GLU 77 Cb 0.00 -2.28 0.00 0.00 -1.78 0.00 0.00 34.13 30.07 2bdi s GLU 77 CO 0.00 -0.37 0.00 -2.30 -0.49 0.00 0.00 175.26 172.10 2bdi n PRO 78 N 4.73 0.00 0.00 0.39 -0.02 -1.26 -2.91 135.00 135.92 2bdi n PRO 78 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 2bdi n PRO 78 Cb 0.48 -0.26 0.00 0.00 -0.02 0.00 0.00 33.50 33.69 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 -4.75 105.19 101.70 2bdi n GLY 79 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.64 5.33 -0.13 1.61 1.04 -1.15 -4.74 113.70 114.02 2bdi s SER 80 Ca 0.00 2.61 -0.04 0.00 0.48 0.00 0.00 55.95 59.01 2bdi s SER 80 Cb 0.00 -2.62 0.06 0.00 0.10 0.00 0.00 66.02 63.55 2bdi s SER 80 CO 0.00 -1.52 0.13 -1.10 0.98 0.00 0.00 173.24 171.73 2bdi s GLN 81 N -2.99 0.05 -1.24 4.02 -0.21 -0.68 -5.00 119.66 113.62 2bdi s GLN 81 Ca 0.72 0.21 -0.13 0.00 0.02 0.00 0.00 55.36 56.18 2bdi s GLN 81 Cb -0.37 -1.10 0.16 0.00 1.00 0.00 0.00 33.01 32.71 2bdi s GLN 81 CO 0.42 -0.52 1.56 -1.33 -2.12 0.00 0.00 175.29 173.30 2bdi n MET 82 N 5.30 3.39 -1.48 2.91 2.81 -1.26 -1.47 117.12 127.32 2bdi n MET 82 Ca -0.05 -3.72 -0.30 0.00 -1.81 0.00 0.00 57.70 51.82 2bdi n MET 82 Cb 0.49 -3.07 0.19 0.00 -0.71 0.00 0.00 33.22 30.13 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 1.63 1.84 0.11 2.03 -7.23 -0.62 -4.88 120.40 113.28 2bdi s VAL 83 Ca 0.43 0.00 0.05 0.00 -1.81 0.00 0.00 61.98 60.66 2bdi s VAL 83 Cb 0.00 -2.72 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 2bdi s VAL 83 CO 0.01 0.00 -0.13 -1.61 -0.31 0.00 0.00 175.10 173.06 2bdi s GLU 84 N -5.52 0.96 0.15 4.82 2.02 -1.26 -2.16 118.70 117.70 2bdi s GLU 84 Ca 0.70 -1.21 -0.21 0.00 0.02 0.00 0.00 54.97 54.28 2bdi s GLU 84 Cb -0.09 -0.77 0.06 0.00 0.10 0.00 0.00 34.13 33.42 2bdi s GLU 84 CO 0.54 0.14 0.53 0.00 0.02 0.00 0.00 175.26 176.50 2bdi s ALA 85 N -2.23 -1.37 0.00 5.21 0.00 -1.07 -0.99 121.76 121.30 2bdi s ALA 85 Ca 0.07 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.35 2bdi s ALA 85 Cb -0.04 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.89 2bdi s ALA 85 CO 0.02 -0.72 0.00 -1.13 0.00 0.00 0.00 175.76 173.93 2bdi n SER 86 N -0.32 0.00 -4.58 0.00 3.41 -1.26 -0.78 113.62 110.09 2bdi n SER 86 Ca -0.17 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.02 2bdi n SER 86 Cb 0.65 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.55 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 0.00 4.12 0.04 1.04 0.20 -1.26 -4.67 118.68 118.16 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 -3.06 -0.03 0.00 -0.43 0.00 0.00 46.19 42.68 2bdi s LEU 87 CO 0.00 -0.80 -0.23 -0.94 -0.29 0.00 0.00 176.35 174.09 2bdi s SER 88 N 1.92 2.74 -0.27 3.68 1.04 -1.26 -0.73 113.70 120.82 2bdi s SER 88 Ca 0.32 -0.54 0.01 0.00 0.48 0.00 0.00 55.95 56.22 2bdi s SER 88 Cb -0.13 -0.24 0.07 0.00 0.10 0.00 0.00 66.02 65.83 2bdi s SER 88 CO 0.19 0.20 -0.00 -0.69 0.98 0.00 0.00 173.24 173.92 2bdi s VAL 89 N -0.79 1.51 0.55 5.02 1.01 0.58 -4.99 120.40 123.29 2bdi s VAL 89 Ca 0.09 -1.44 -0.16 0.00 0.00 0.00 0.00 61.98 60.48 2bdi s VAL 89 Cb -0.09 -1.91 -0.06 0.00 0.00 0.00 0.00 36.38 34.32 2bdi s VAL 89 CO 0.02 -0.30 1.01 -0.13 0.00 0.00 0.00 175.10 175.70 2bdi s ARG 90 N 1.36 3.71 0.23 2.72 0.52 -1.26 -1.60 118.95 124.64 2bdi s ARG 90 Ca 0.00 1.03 -0.30 0.00 -0.52 0.00 0.00 55.73 55.94 2bdi s ARG 90 Cb -0.19 -2.10 -0.09 0.00 0.52 0.00 0.00 34.95 33.10 2bdi s ARG 90 CO -0.10 -0.47 1.29 -1.58 0.02 0.00 0.00 175.30 174.46 2bdi s HIS 91 N -2.60 3.25 0.24 -0.53 5.65 -0.97 -4.90 115.29 115.43 2bdi s HIS 91 Ca 0.60 1.29 -0.08 0.00 0.25 0.00 0.00 55.06 57.12 2bdi s HIS 91 Cb -0.12 -3.59 0.37 0.00 -1.18 0.00 0.00 32.58 28.07 2bdi s HIS 91 CO 0.35 -1.77 1.36 -2.30 -0.65 0.00 0.00 174.74 171.73 2bdi n PRO 92 N 2.21 -0.10 -0.34 2.88 -0.02 -1.26 -0.94 135.00 137.44 2bdi n PRO 92 Ca 0.05 1.36 0.05 0.00 -2.02 0.00 0.00 63.50 62.93 2bdi n PRO 92 Cb 0.43 -2.02 0.19 0.00 -0.02 0.00 0.00 33.50 32.08 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 -5.40 2.51 -1.64 -0.52 -0.58 -1.26 -4.98 120.64 108.77 2bdi n GLU 93 Ca 0.13 -1.54 -0.40 0.00 -0.42 0.00 0.00 57.16 54.93 2bdi n GLU 93 Cb 0.42 -1.62 0.02 0.00 -0.57 0.00 0.00 31.44 29.70 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 0.48 1.36 -1.22 -0.32 9.36 -0.11 -1.74 117.16 124.97 2bdi n TYR 94 Ca 0.14 0.51 -0.09 0.00 3.32 0.00 0.00 57.90 61.77 2bdi n TYR 94 Cb 0.55 -2.25 -0.04 0.00 -0.63 0.00 0.00 39.34 36.97 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 0.04 -5.32 -3.66 2.98 2.85 0.57 -4.93 115.26 107.79 2bdi n ASN 95 Ca 0.10 0.22 -0.29 0.00 -0.11 0.00 0.00 54.58 54.50 2bdi n ASN 95 Cb 0.42 -3.86 -0.15 0.00 1.24 0.00 0.00 39.78 37.43 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 0.56 1.03 1.20 1.81 -0.71 -2.63 118.95 117.52 2bdi s ARG 96 Ca 0.00 -0.95 -0.13 0.00 -1.72 0.00 0.00 55.73 52.94 2bdi s ARG 96 Cb 0.00 -1.70 0.21 0.00 -0.45 0.00 0.00 34.95 33.01 2bdi s ARG 96 CO 0.00 -1.02 1.09 -2.14 -0.68 0.00 0.00 175.30 172.55 2bdi s PRO 97 N 1.69 0.18 -0.04 3.54 0.02 -1.26 -4.86 135.00 134.27 2bdi s PRO 97 Ca 0.10 0.51 -0.39 0.00 0.02 0.00 0.00 61.00 61.24 2bdi s PRO 97 Cb -0.17 -1.71 -0.17 0.00 0.02 0.00 0.00 34.50 32.46 2bdi s PRO 97 CO -0.27 -2.90 1.39 -0.11 -0.33 0.00 0.00 177.00 174.79 2bdi n LEU 98 N -4.29 1.46 0.00 -5.54 7.94 -1.08 -0.30 117.00 115.19 2bdi n LEU 98 Ca 0.05 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.07 2bdi n LEU 98 Cb 0.57 -1.11 0.00 0.00 0.53 0.00 0.00 43.42 43.41 2bdi n LEU 98 CO 0.58 -1.07 0.00 0.18 -1.11 0.00 0.00 177.39 175.97 2bdi n LEU 99 N 3.02 0.00 -4.78 -1.96 4.77 -1.26 -4.96 117.00 111.83 2bdi n LEU 99 Ca 0.21 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.90 2bdi n LEU 99 Cb 0.14 -0.07 0.15 0.00 -2.33 0.00 0.00 43.42 41.31 2bdi n LEU 99 CO 0.68 0.00 0.72 0.00 -1.33 0.00 0.00 177.39 177.46 2bdi s ALA 100 N -1.90 1.72 -1.52 -1.18 0.00 0.58 -4.14 121.76 115.32 2bdi s ALA 100 Ca 0.00 -0.63 -0.06 0.00 0.00 0.00 0.00 51.96 51.27 2bdi s ALA 100 Cb 0.00 -2.99 0.05 0.00 0.00 0.00 0.00 23.12 20.18 2bdi s ALA 100 CO 0.00 -2.42 0.47 0.09 0.00 0.00 0.00 175.76 173.91 2bdi n ASN 101 N -3.85 -1.04 -2.34 0.00 4.13 -1.26 -0.32 115.26 110.57 2bdi n ASN 101 Ca 0.08 -1.05 -0.19 0.00 1.68 0.00 0.00 54.58 55.10 2bdi n ASN 101 Cb 0.59 -2.74 -0.13 0.00 -1.54 0.00 0.00 39.78 35.96 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 -2.87 6.08 -4.34 6.41 2.03 -1.26 -4.16 116.55 118.45 2bdi n ASP 102 Ca -0.19 -2.49 -0.23 0.00 0.52 0.00 0.00 54.79 52.39 2bdi n ASP 102 Cb 0.63 -1.44 -0.12 0.00 -0.72 0.00 0.00 41.12 39.47 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 2.40 -0.14 -2.67 2.34 -1.26 -2.39 118.68 117.00 2bdi s LEU 103 Ca 0.67 -0.82 -0.09 0.00 0.06 0.00 0.00 54.13 53.95 2bdi s LEU 103 Cb 0.28 -0.92 0.05 0.00 -0.56 0.00 0.00 46.19 45.04 2bdi s LEU 103 CO -0.02 0.02 0.34 -0.32 -1.06 0.00 0.00 176.35 175.32 2bdi s MET 104 N -2.53 0.34 -0.16 1.48 1.75 0.15 -2.29 119.30 118.03 2bdi s MET 104 Ca 0.14 0.63 -0.15 0.00 -1.25 0.00 0.00 55.69 55.06 2bdi s MET 104 Cb -0.07 0.00 -0.04 0.00 2.84 0.00 0.00 34.83 37.56 2bdi s MET 104 CO 0.07 -0.13 0.36 -0.51 -0.65 0.00 0.00 175.02 174.16 2bdi s LEU 105 N 1.04 4.23 -0.21 4.11 1.43 -0.62 -0.71 118.68 127.95 2bdi s LEU 105 Ca -0.07 0.59 -0.06 0.00 -1.03 0.00 0.00 54.13 53.56 2bdi s LEU 105 Cb -0.07 -2.49 -0.03 0.00 0.03 0.00 0.00 46.19 43.63 2bdi s LEU 105 CO -0.08 0.04 0.03 -0.63 0.23 0.00 0.00 176.35 175.93 2bdi s ILE 106 N 0.69 4.18 -0.23 -0.59 1.01 0.67 -0.30 121.20 126.62 2bdi s ILE 106 Ca 0.20 -0.23 -0.16 0.00 0.00 0.00 0.00 60.65 60.46 2bdi s ILE 106 Cb -0.14 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 2bdi s ILE 106 CO 0.06 0.41 0.40 -0.75 0.00 0.00 0.00 174.94 175.06 2bdi s LYS 107 N 1.05 4.11 0.39 2.79 2.20 0.09 -0.22 119.74 130.14 2bdi s LYS 107 Ca 0.03 0.15 -0.24 0.00 -0.36 0.00 0.00 55.97 55.54 2bdi s LYS 107 Cb -0.14 -3.59 -0.09 0.00 -1.51 0.00 0.00 37.83 32.50 2bdi s LYS 107 CO 0.02 -0.15 1.04 -0.51 -0.36 0.00 0.00 175.35 175.39 2bdi s LEU 108 N 1.66 4.16 0.07 5.43 1.43 -0.44 -4.02 118.68 126.98 2bdi s LEU 108 Ca 0.18 2.02 -0.34 0.00 -1.03 0.00 0.00 54.13 54.95 2bdi s LEU 108 Cb -0.15 -4.16 -0.17 0.00 0.03 0.00 0.00 46.19 41.73 2bdi s LEU 108 CO 0.09 -0.44 1.53 0.44 0.23 0.00 0.00 176.35 178.19 2bdi h ASP 109 N 2.58 -1.22 -3.40 2.29 3.45 -1.41 -3.40 116.42 115.31 2bdi h ASP 109 Ca -0.48 0.08 -0.65 0.00 0.43 0.00 0.00 57.03 56.41 2bdi h ASP 109 Cb 1.21 0.37 -0.26 0.00 -0.56 0.00 0.00 39.33 40.10 2bdi h ASP 109 CO 0.63 -0.68 -0.70 -0.70 -1.57 0.00 0.00 179.24 176.21 2bdi s GLU 110 N -5.71 3.48 0.27 3.56 2.12 -1.26 -5.09 118.70 116.08 2bdi s GLU 110 Ca -0.17 -0.59 -0.30 0.00 0.36 0.00 0.00 54.97 54.27 2bdi s GLU 110 Cb 0.03 -2.99 -0.14 0.00 0.26 0.00 0.00 34.13 31.29 2bdi s GLU 110 CO 0.56 -0.06 1.20 0.45 -0.54 0.00 0.00 175.26 176.87 2bdi n SER 111 N 4.41 2.04 -4.95 -1.70 2.88 -1.26 -4.96 113.62 110.08 2bdi n SER 111 Ca -0.18 1.17 -0.23 0.00 -1.33 0.00 0.00 58.87 58.30 2bdi n SER 111 Cb 0.51 -1.36 -0.01 0.00 -0.75 0.00 0.00 64.21 62.61 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 -0.68 4.72 -0.33 2.46 -7.23 -0.60 -4.97 120.40 113.78 2bdi s VAL 112 Ca 0.62 -0.55 -0.10 0.00 -1.81 0.00 0.00 61.98 60.14 2bdi s VAL 112 Cb -0.68 -3.72 -0.00 0.00 0.56 0.00 0.00 36.38 32.54 2bdi s VAL 112 CO 0.57 -0.45 0.18 -0.44 -0.31 0.00 0.00 175.10 174.65 2bdi s SER 113 N -4.09 5.68 -0.72 4.85 0.01 -1.26 -4.81 113.70 113.36 2bdi s SER 113 Ca 0.42 -0.56 -0.29 0.00 1.31 0.00 0.00 55.95 56.83 2bdi s SER 113 Cb -0.10 -2.03 -0.14 0.00 0.21 0.00 0.00 66.02 63.96 2bdi s SER 113 CO 0.36 -0.23 2.53 -0.62 0.41 0.00 0.00 173.24 175.69 2bdi n GLU 114 N 5.01 0.56 -0.15 12.44 1.02 -1.26 -4.90 120.64 133.36 2bdi n GLU 114 Ca -0.13 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 2bdi n GLU 114 Cb 0.49 -2.48 0.00 0.00 -0.02 0.00 0.00 31.44 29.43 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 -0.03 1.62 3.41 -0.42 -4.93 113.62 126.27 2bdi n SER 115 Ca 0.51 -0.21 -0.17 0.00 -0.26 0.00 0.00 58.87 58.74 2bdi n SER 115 Cb 0.29 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.17 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 0.91 -0.52 4.04 -0.00 -1.95 -3.21 116.42 115.69 2bdi h ASP 116 Ca 0.00 -0.62 0.00 0.00 -0.00 0.00 0.00 57.03 56.41 2bdi h ASP 116 Cb 0.00 -0.27 0.00 0.00 -0.00 0.00 0.00 39.33 39.06 2bdi h ASP 116 CO 0.00 1.38 0.00 0.35 -0.00 0.00 0.00 179.24 180.97 2bdi n THR 117 N -3.99 0.85 -3.55 2.25 -2.24 -1.26 -4.81 114.28 101.53 2bdi n THR 117 Ca -0.07 -0.92 -0.29 0.00 -2.27 0.00 0.00 64.05 60.49 2bdi n THR 117 Cb 0.71 0.64 -0.14 0.00 -2.10 0.00 0.00 70.33 69.44 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 -1.09 0.20 0.13 2.28 1.01 -1.21 -4.03 121.20 118.48 2bdi s ILE 118 Ca 0.38 -1.25 0.06 0.00 0.00 0.00 0.00 60.65 59.84 2bdi s ILE 118 Cb 0.20 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.46 2bdi s ILE 118 CO 0.27 -0.82 -0.15 -0.60 0.00 0.00 0.00 174.94 173.64 2bdi s ARG 119 N 1.60 1.07 0.41 2.79 3.52 -0.99 -1.30 118.95 126.06 2bdi s ARG 119 Ca 0.13 -1.26 -0.02 0.00 -0.13 0.00 0.00 55.73 54.44 2bdi s ARG 119 Cb -0.19 -1.00 -0.03 0.00 -1.56 0.00 0.00 34.95 32.17 2bdi s ARG 119 CO -0.21 0.20 0.67 -1.54 -0.81 0.00 0.00 175.30 173.60 2bdi s SER 120 N -2.46 6.28 0.21 -2.12 1.04 -1.26 -2.50 113.70 112.88 2bdi s SER 120 Ca 0.10 0.69 0.10 0.00 0.48 0.00 0.00 55.95 57.32 2bdi s SER 120 Cb -0.05 -2.14 -0.05 0.00 0.10 0.00 0.00 66.02 63.88 2bdi s SER 120 CO 0.04 -0.44 -0.20 -0.51 0.98 0.00 0.00 173.24 173.11 2bdi s ILE 121 N -2.53 2.13 0.11 -1.02 2.07 -0.43 -4.92 121.20 116.61 2bdi s ILE 121 Ca 0.44 -2.11 0.00 0.00 -1.41 0.00 0.00 60.65 57.57 2bdi s ILE 121 Cb -0.10 -2.07 -0.04 0.00 0.13 0.00 0.00 42.46 40.38 2bdi s ILE 121 CO 0.40 -0.31 0.26 -0.94 -1.91 0.00 0.00 174.94 172.45 2bdi s SER 122 N -2.96 6.37 -0.07 4.50 1.04 -1.26 -4.47 113.70 116.84 2bdi s SER 122 Ca 0.22 0.27 -0.22 0.00 0.48 0.00 0.00 55.95 56.70 2bdi s SER 122 Cb -0.06 -1.96 -0.04 0.00 0.10 0.00 0.00 66.02 64.07 2bdi s SER 122 CO 0.10 0.10 0.65 -0.63 0.98 0.00 0.00 173.24 174.43 2bdi s ILE 123 N -1.63 5.05 0.26 -1.02 1.01 -1.26 -0.73 121.20 122.89 2bdi s ILE 123 Ca 0.36 1.33 -0.30 0.00 0.00 0.00 0.00 60.65 62.03 2bdi s ILE 123 Cb -0.12 -3.99 -0.13 0.00 0.01 0.00 0.00 42.46 38.23 2bdi s ILE 123 CO 0.28 0.29 1.41 0.00 0.00 0.00 0.00 174.94 176.92 2bdi n ALA 124 N 3.63 1.33 0.31 9.38 0.00 0.30 -4.81 120.51 130.64 2bdi n ALA 124 Ca -0.03 0.40 0.11 0.00 0.00 0.00 0.00 53.44 53.92 2bdi n ALA 124 Cb 0.51 -2.29 -0.11 0.00 0.00 0.00 0.00 19.45 17.56 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 1.92 0.39 -4.95 0.00 3.41 -1.26 -4.27 113.62 108.86 2bdi n SER 125 Ca 0.10 -0.20 -0.23 0.00 -0.26 0.00 0.00 58.87 58.28 2bdi n SER 125 Cb 0.33 1.43 0.00 0.00 -0.26 0.00 0.00 64.21 65.71 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 -3.34 3.19 0.15 4.33 0.74 -1.26 -4.90 119.66 118.58 2bdi s GLN 127 Ca -0.02 -0.48 0.04 0.00 0.05 0.00 0.00 55.36 54.95 2bdi s GLN 127 Cb 0.14 -2.61 -0.04 0.00 1.10 0.00 0.00 33.01 31.61 2bdi s GLN 127 CO 0.87 -0.13 0.18 0.00 -0.55 0.00 0.00 175.29 175.66 2bdi n PRO 129 N -0.36 0.01 -4.98 0.00 -0.02 -1.26 -4.96 135.00 123.43 2bdi n PRO 129 Ca -0.08 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.08 2bdi n PRO 129 Cb 0.54 -1.01 -0.15 0.00 -0.02 0.00 0.00 33.50 32.87 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 -1.02 2.74 0.38 3.45 -4.23 -1.26 -5.08 115.64 110.62 2bdi s THR 130 Ca 0.64 -0.82 -0.27 0.00 -1.18 0.00 0.00 61.69 60.06 2bdi s THR 130 Cb -0.92 -2.07 -0.11 0.00 1.34 0.00 0.00 72.50 70.73 2bdi s THR 130 CO 0.56 0.57 1.38 0.00 -0.54 0.00 0.00 174.62 176.59 2bdi n ALA 132 N 2.85 1.81 0.00 3.99 0.00 -1.26 -2.14 120.51 125.77 2bdi n ALA 132 Ca -0.17 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2bdi n ALA 132 Cb 0.52 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.64 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 0.62 2.74 3.74 0.00 0.00 0.15 -4.91 105.19 107.53 2bdi n GLY 133 Ca 0.03 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 0.51 3.42 -4.86 1.61 2.85 -0.91 -4.51 115.26 113.38 2bdi n ASN 134 Ca 0.00 1.19 -0.37 0.00 -0.11 0.00 0.00 54.58 55.29 2bdi n ASN 134 Cb 0.00 -1.56 -0.06 0.00 1.24 0.00 0.00 39.78 39.40 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 0.02 6.49 0.19 1.20 0.15 -1.26 0.14 113.70 120.63 2bdi s SER 135 Ca 0.58 0.58 0.04 0.00 0.70 0.00 0.00 55.95 57.86 2bdi s SER 135 Cb -0.52 -2.12 -0.02 0.00 -1.71 0.00 0.00 66.02 61.65 2bdi s SER 135 CO 0.58 0.37 0.16 0.00 1.20 0.00 0.00 173.24 175.55 2bdi s LEU 137 N 0.00 2.28 0.02 0.00 2.96 -0.44 -1.46 118.68 122.04 2bdi s LEU 137 Ca 0.22 -0.59 0.00 0.00 -0.22 0.00 0.00 54.13 53.55 2bdi s LEU 137 Cb 0.01 -0.24 -0.02 0.00 0.50 0.00 0.00 46.19 46.44 2bdi s LEU 137 CO 0.16 -0.19 -0.04 0.54 -1.32 0.00 0.00 176.35 175.50 2bdi s VAL 138 N -1.48 0.18 0.03 1.68 0.11 -0.52 -0.62 120.40 119.79 2bdi s VAL 138 Ca -0.07 -0.88 -0.03 0.00 -2.93 0.00 0.00 61.98 58.08 2bdi s VAL 138 Cb -0.09 -0.30 -0.02 0.00 -1.53 0.00 0.00 36.38 34.43 2bdi s VAL 138 CO 0.01 -0.44 0.03 -0.94 -3.33 0.00 0.00 175.10 170.42 2bdi s SER 139 N -1.38 0.27 0.00 3.54 1.04 -1.22 -1.41 113.70 114.54 2bdi s SER 139 Ca -0.14 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 55.67 2bdi s SER 139 Cb -0.09 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.21 2bdi s SER 139 CO -0.01 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.36 2bdi n GLY 140 N 0.89 0.21 1.53 7.32 0.00 -0.35 -4.22 105.19 110.56 2bdi n GLY 140 Ca -0.19 -0.97 0.05 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.29 1.71 -1.18 1.61 8.01 -1.26 -1.63 117.44 124.41 2bdi n TRP 141 Ca 0.00 -0.90 -0.30 0.00 -1.31 0.00 0.00 57.50 54.99 2bdi n TRP 141 Cb 0.00 -0.47 0.22 0.00 -2.01 0.00 0.00 31.31 29.04 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 -1.31 1.59 0.39 6.99 0.00 -1.23 -4.32 107.32 109.42 2bdi s GLY 142 Ca 0.50 -0.81 -0.24 0.00 0.00 0.00 0.00 44.72 44.16 2bdi s GLY 142 CO 0.12 -0.01 0.81 1.04 0.00 0.00 0.00 173.10 175.06 2bdi n LEU 143 N -4.52 1.28 -5.00 0.66 4.32 0.27 -2.99 117.00 111.03 2bdi n LEU 143 Ca 0.11 1.02 -0.19 0.00 -0.02 0.00 0.00 56.01 56.92 2bdi n LEU 143 Cb 0.59 -1.23 0.04 0.00 -1.62 0.00 0.00 43.42 41.19 2bdi n LEU 143 CO 0.49 -2.08 0.29 -0.76 -1.22 0.00 0.00 177.39 174.11 2bdi s LEU 144 N 0.67 3.38 0.57 2.23 1.43 0.13 -1.47 118.68 125.62 2bdi s LEU 144 Ca 0.63 -0.30 0.31 0.00 -1.03 0.00 0.00 54.13 53.74 2bdi s LEU 144 Cb -0.62 -2.57 1.45 0.00 0.03 0.00 0.00 46.19 44.49 2bdi s LEU 144 CO 0.58 -1.08 1.82 0.00 0.23 0.00 0.00 176.35 177.90 2bdi h ALA 145 N 0.26 2.67 -0.22 4.21 0.00 -1.87 0.68 119.26 124.99 2bdi h ALA 145 Ca -0.39 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2bdi h ALA 145 Cb 1.29 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2bdi h ALA 145 CO 0.47 -1.10 0.00 0.27 0.00 0.00 0.00 179.25 178.89 2bdi n ASN 146 N -3.94 1.53 -0.61 0.00 0.23 -1.26 -4.88 115.26 106.33 2bdi n ASN 146 Ca 0.17 -1.82 -0.08 0.00 -0.53 0.00 0.00 54.58 52.31 2bdi n ASN 146 Cb 0.97 -0.14 -0.03 0.00 -2.08 0.00 0.00 39.78 38.49 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 1.04 0.99 3.52 4.83 0.00 0.24 -5.00 105.19 110.80 2bdi n GLY 147 Ca 0.13 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.60 1.89 0.09 1.61 3.00 -1.25 -4.76 118.95 116.92 2bdi s ARG 150 Ca 0.00 -1.25 -0.26 0.00 -1.00 0.00 0.00 55.73 53.23 2bdi s ARG 150 Cb 0.00 -2.11 -0.06 0.00 0.00 0.00 0.00 34.95 32.77 2bdi s ARG 150 CO 0.00 0.45 0.79 -1.64 0.00 0.00 0.00 175.30 174.91 2bdi s MET 151 N -2.49 4.54 0.73 5.12 -1.94 -1.26 0.22 119.30 124.23 2bdi s MET 151 Ca 0.21 1.14 -0.11 0.00 -1.71 0.00 0.00 55.69 55.22 2bdi s MET 151 Cb -0.10 -3.34 0.03 0.00 2.01 0.00 0.00 34.83 33.44 2bdi s MET 151 CO 0.12 0.35 1.08 -1.25 -0.01 0.00 0.00 175.02 175.32 2bdi s PRO 152 N -0.35 2.63 -0.00 2.03 0.04 -1.26 -4.95 135.00 133.13 2bdi s PRO 152 Ca 0.39 0.71 0.15 0.00 0.04 0.00 0.00 61.00 62.28 2bdi s PRO 152 Cb -0.22 -1.97 -0.19 0.00 0.04 0.00 0.00 34.50 32.16 2bdi s PRO 152 CO 0.25 -1.26 0.71 0.25 0.04 0.00 0.00 177.00 176.99 2bdi n THR 153 N -3.20 1.42 -4.43 1.26 -2.24 -1.26 -4.96 114.28 100.88 2bdi n THR 153 Ca 0.07 -0.75 -0.21 0.00 -2.27 0.00 0.00 64.05 60.89 2bdi n THR 153 Cb 0.55 -0.89 -0.10 0.00 -2.10 0.00 0.00 70.33 67.78 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 -2.74 1.42 0.21 2.28 -7.23 -1.26 -3.86 120.40 109.22 2bdi s VAL 154 Ca -0.04 -2.07 -0.32 0.00 -1.81 0.00 0.00 61.98 57.75 2bdi s VAL 154 Cb 0.08 -2.56 -0.11 0.00 0.56 0.00 0.00 36.38 34.35 2bdi s VAL 154 CO 0.82 -0.20 1.66 -0.22 -0.31 0.00 0.00 175.10 176.84 2bdi s LEU 155 N -3.44 4.37 0.23 1.32 2.96 -0.38 -4.85 118.68 118.88 2bdi s LEU 155 Ca 0.32 2.81 0.04 0.00 -0.22 0.00 0.00 54.13 57.07 2bdi s LEU 155 Cb 0.06 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.11 2bdi s LEU 155 CO 0.13 -0.92 0.37 -1.10 -1.32 0.00 0.00 176.35 173.51 2bdi s GLN 156 N 0.90 3.45 0.32 1.98 -1.52 -0.64 -1.01 119.66 123.13 2bdi s GLN 156 Ca 0.72 -0.67 0.03 0.00 -1.95 0.00 0.00 55.36 53.49 2bdi s GLN 156 Cb -0.48 -2.88 -0.04 0.00 -0.22 0.00 0.00 33.01 29.40 2bdi s GLN 156 CO 0.34 0.41 0.12 0.00 -0.25 0.00 0.00 175.29 175.92 2bdi n VAL 158 N -0.63 0.00 -4.56 0.00 3.14 -0.50 -2.76 118.33 113.02 2bdi n VAL 158 Ca -0.01 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.03 2bdi n VAL 158 Cb 0.66 0.00 -0.11 0.00 -1.06 0.00 0.00 33.84 33.33 2bdi n VAL 158 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 2bdi s ASN 159 N 0.00 4.77 0.00 6.55 -0.87 -1.26 -1.43 114.94 122.70 2bdi s ASN 159 Ca 0.00 -0.00 -0.03 0.00 -1.57 0.00 0.00 52.86 51.26 2bdi s ASN 159 Cb 0.00 -1.29 -0.01 0.00 -0.02 0.00 0.00 41.25 39.94 2bdi s ASN 159 CO 0.00 0.35 0.04 0.68 -2.57 0.00 0.00 177.10 175.60 2bdi s VAL 160 N -0.71 0.07 0.12 1.60 -7.23 -0.53 -4.88 120.40 108.84 2bdi s VAL 160 Ca 0.11 -0.62 0.03 0.00 -1.81 0.00 0.00 61.98 59.69 2bdi s VAL 160 Cb -0.11 -0.27 -0.04 0.00 0.56 0.00 0.00 36.38 36.52 2bdi s VAL 160 CO 0.02 -0.34 0.16 -0.44 -0.31 0.00 0.00 175.10 174.18 2bdi s SER 161 N -1.07 5.81 0.33 4.85 0.01 -1.26 -1.28 113.70 121.09 2bdi s SER 161 Ca -0.12 0.03 -0.29 0.00 1.31 0.00 0.00 55.95 56.89 2bdi s SER 161 Cb -0.07 -1.63 -0.10 0.00 0.21 0.00 0.00 66.02 64.43 2bdi s SER 161 CO 0.00 0.12 1.33 -0.69 0.41 0.00 0.00 173.24 174.40 2bdi s VAL 162 N -1.59 2.67 0.10 3.43 1.01 0.12 0.21 120.40 126.35 2bdi s VAL 162 Ca 0.32 0.67 0.01 0.00 0.00 0.00 0.00 61.98 62.98 2bdi s VAL 162 Cb -0.11 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 2bdi s VAL 162 CO 0.25 0.16 0.22 -0.69 0.00 0.00 0.00 175.10 175.03 2bdi s VAL 163 N -1.07 5.26 0.70 2.92 1.01 -0.38 0.29 120.40 129.13 2bdi s VAL 163 Ca 0.50 -0.55 -0.14 0.00 0.00 0.00 0.00 61.98 61.79 2bdi s VAL 163 Cb -0.40 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.39 2bdi s VAL 163 CO 0.53 0.05 1.13 -0.94 0.00 0.00 0.00 175.10 175.87 2bdi s SER 164 N -2.77 4.71 0.19 3.32 1.04 -1.26 -4.67 113.70 114.27 2bdi s SER 164 Ca 0.34 2.06 -0.12 0.00 0.48 0.00 0.00 55.95 58.72 2bdi s SER 164 Cb -0.12 -2.56 0.13 0.00 0.10 0.00 0.00 66.02 63.57 2bdi s SER 164 CO 0.27 -1.90 1.85 -0.08 0.98 0.00 0.00 173.24 174.36 2bdi h GLU 165 N -0.31 0.82 0.48 4.02 4.81 -1.98 -0.04 114.58 122.39 2bdi h GLU 165 Ca -0.46 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.71 2bdi h GLU 165 Cb 1.26 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 2bdi h GLU 165 CO 0.52 0.54 -0.44 1.49 -0.73 0.00 0.00 179.01 180.39 2bdi h GLU 166 N 0.85 -0.89 -0.98 1.92 4.81 -2.00 0.14 114.58 118.44 2bdi h GLU 166 Ca 0.24 0.06 0.12 0.00 -0.13 0.00 0.00 59.36 59.66 2bdi h GLU 166 Cb -0.06 0.20 -0.09 0.00 0.63 0.00 0.00 28.75 29.43 2bdi h GLU 166 CO -0.07 -0.59 0.60 0.28 -0.73 0.00 0.00 179.01 178.50 2bdi h VAL 167 N -0.92 0.89 -0.46 0.32 2.07 -1.80 -1.84 116.25 114.52 2bdi h VAL 167 Ca -0.05 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 2bdi h VAL 167 Cb 0.80 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 2bdi h VAL 167 CO -0.05 0.17 0.12 0.00 0.02 0.00 0.00 177.57 177.83 2bdi h SER 169 N 0.61 0.59 -0.01 0.00 4.64 -0.40 -1.31 113.55 117.67 2bdi h SER 169 Ca 0.14 -0.26 -0.22 0.00 -0.47 0.00 0.00 61.79 60.99 2bdi h SER 169 Cb 0.31 -0.17 0.02 0.00 -0.31 0.00 0.00 62.40 62.26 2bdi h SER 169 CO 0.00 0.93 -0.84 0.11 -0.87 0.00 0.00 176.83 176.16 2bdi h LYS 170 N 0.46 0.58 0.00 4.77 1.57 -1.19 0.22 116.57 122.98 2bdi h LYS 170 Ca 0.04 -0.61 -0.01 0.00 -1.87 0.00 0.00 60.65 58.20 2bdi h LYS 170 Cb 0.90 0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.38 2bdi h LYS 170 CO 0.08 1.23 -0.04 -0.07 -0.57 0.00 0.00 179.45 180.08 2bdi h LEU 171 N 0.18 0.00 -2.35 2.94 3.38 -0.54 -3.03 115.31 115.89 2bdi h LEU 171 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2bdi h LEU 171 Cb 1.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.26 2bdi h LEU 171 CO 0.16 0.04 0.00 -1.22 0.09 0.00 0.00 178.44 177.51 2bdi n TYR 172 N -3.47 0.00 -1.65 1.13 4.01 -0.51 -5.01 117.16 111.67 2bdi n TYR 172 Ca -0.02 -0.34 -0.43 0.00 -0.16 0.00 0.00 57.90 56.95 2bdi n TYR 172 Cb 0.15 -0.03 -0.00 0.00 -0.31 0.00 0.00 39.34 39.14 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 -0.34 1.98 -1.13 7.72 -0.08 0.77 -0.57 116.55 124.88 2bdi n ASP 173 Ca 0.00 1.15 0.11 0.00 -1.51 0.00 0.00 54.79 54.54 2bdi n ASP 173 Cb 0.27 -1.40 0.27 0.00 2.34 0.00 0.00 41.12 42.60 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 0.44 2.44 0.08 -0.67 -0.04 -1.26 -4.83 135.00 131.16 2bdi n PRO 174 Ca 0.07 -2.22 0.11 0.00 -0.04 0.00 0.00 63.50 61.42 2bdi n PRO 174 Cb 0.36 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.77 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 1.35 0.46 -4.75 1.53 4.77 0.26 -4.87 117.00 115.74 2bdi n LEU 175 Ca 0.21 0.58 -0.41 0.00 -0.03 0.00 0.00 56.01 56.36 2bdi n LEU 175 Cb 0.55 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 2bdi n LEU 175 CO 0.15 -0.31 0.91 -0.47 -1.33 0.00 0.00 177.39 176.34 2bdi s TYR 176 N -3.15 3.32 0.13 -1.77 6.14 -0.41 -4.87 117.35 116.74 2bdi s TYR 176 Ca 0.08 1.44 0.02 0.00 0.64 0.00 0.00 57.07 59.25 2bdi s TYR 176 Cb 0.12 -3.50 -0.04 0.00 0.42 0.00 0.00 41.96 38.95 2bdi s TYR 176 CO 0.44 -1.38 -0.05 -1.58 0.64 0.00 0.00 175.55 173.62 2bdi s HIS 177 N -0.61 1.07 -0.95 4.97 2.46 -1.26 -4.94 115.29 116.02 2bdi s HIS 177 Ca 0.50 -0.93 0.07 0.00 0.47 0.00 0.00 55.06 55.18 2bdi s HIS 177 Cb -0.35 -0.60 0.33 0.00 -0.13 0.00 0.00 32.58 31.83 2bdi s HIS 177 CO 0.43 -0.13 1.24 -2.30 -2.47 0.00 0.00 174.74 171.50 2bdi n PRO 178 N -0.14 0.01 -0.48 2.88 -0.02 -1.26 -1.51 135.00 134.48 2bdi n PRO 178 Ca -0.10 0.40 0.01 0.00 -2.02 0.00 0.00 63.50 61.79 2bdi n PRO 178 Cb 0.62 -1.53 0.18 0.00 -0.02 0.00 0.00 33.50 32.75 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 -1.55 3.38 -3.94 2.55 3.41 -1.26 -4.79 113.62 111.42 2bdi n SER 179 Ca 0.01 -2.53 -0.09 0.00 -0.26 0.00 0.00 58.87 56.00 2bdi n SER 179 Cb 0.08 -0.61 -0.07 0.00 -0.26 0.00 0.00 64.21 63.34 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 -1.84 1.01 0.04 4.33 0.23 -0.57 -1.66 119.30 120.85 2bdi s MET 180 Ca 0.28 -1.12 -0.23 0.00 -1.03 0.00 0.00 55.69 53.58 2bdi s MET 180 Cb 0.22 0.35 0.05 0.00 -1.53 0.00 0.00 34.83 33.92 2bdi s MET 180 CO 0.07 -0.35 0.53 -0.59 -2.03 0.00 0.00 175.02 172.66 2bdi s PHE 181 N -3.94 -0.45 0.17 3.16 -0.12 0.00 -4.70 117.98 112.11 2bdi s PHE 181 Ca 0.13 0.53 0.03 0.00 -0.05 0.00 0.00 56.93 57.57 2bdi s PHE 181 Cb 0.04 0.35 -0.03 0.00 -0.63 0.00 0.00 43.02 42.75 2bdi s PHE 181 CO -0.04 -0.64 0.31 0.00 -0.05 0.00 0.00 175.22 174.80 2bdi s ALA 183 N -1.80 -1.41 0.00 0.00 0.00 -0.64 -1.25 121.76 116.66 2bdi s ALA 183 Ca 0.35 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.81 2bdi s ALA 183 Cb -0.11 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.24 2bdi s ALA 183 CO 0.29 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.18 2bdi n GLY 184 N 2.48 0.54 2.11 0.00 0.00 0.13 -2.66 105.19 107.80 2bdi n GLY 184 Ca -0.15 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 0.47 3.79 -0.02 0.00 -1.26 -4.54 105.19 103.63 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 -2.00 1.68 0.39 -0.02 0.00 -1.26 0.12 107.32 106.22 2bdi s GLY 186 Ca 0.00 -1.01 0.18 0.00 0.00 0.00 0.00 44.72 43.89 2bdi s GLY 186 CO 0.00 -0.23 1.78 -1.61 0.00 0.00 0.00 173.10 173.04 2bdi h GLN 186 N -1.96 0.00 0.00 2.90 5.75 -1.94 -2.65 115.11 117.21 2bdi h GLN 186 Ca -0.45 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.05 2bdi h GLN 186 Cb 1.27 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.82 2bdi h GLN 186 CO 0.40 0.36 0.00 -0.40 -2.65 0.00 0.00 178.83 176.54 2bdi n ASP 186 N -3.64 0.00 -3.41 -0.69 3.85 -1.26 -4.83 116.55 106.57 2bdi n ASP 186 Ca -0.01 -0.37 -0.25 0.00 -0.71 0.00 0.00 54.79 53.45 2bdi n ASP 186 Cb 0.47 -0.02 0.02 0.00 -1.35 0.00 0.00 41.12 40.24 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 -4.63 -3.39 0.11 6.02 -1.00 -4.96 117.38 108.51 2bdi n GLN 187 Ca 0.10 0.66 -0.37 0.00 -0.01 0.00 0.00 57.00 57.37 2bdi n GLN 187 Cb 0.05 -5.48 -0.07 0.00 1.02 0.00 0.00 30.24 25.76 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 -6.09 4.28 0.12 -1.09 1.02 -1.26 -4.45 119.74 112.28 2bdi s LYS 188 Ca 0.45 0.30 -0.26 0.00 0.02 0.00 0.00 55.97 56.48 2bdi s LYS 188 Cb -0.22 -3.45 0.08 0.00 -0.52 0.00 0.00 37.83 33.71 2bdi s LYS 188 CO 0.55 0.14 1.04 0.34 -0.92 0.00 0.00 175.35 176.51 2bdi s ASP 189 N 0.66 -0.12 0.86 2.83 2.15 -0.90 -4.16 116.67 117.99 2bdi s ASP 189 Ca 0.22 -0.40 -0.09 0.00 0.43 0.00 0.00 52.55 52.71 2bdi s ASP 189 Cb -0.14 0.42 0.17 0.00 -0.30 0.00 0.00 42.92 43.07 2bdi s ASP 189 CO 0.08 -0.79 1.19 -0.44 -0.17 0.00 0.00 175.17 175.03 2bdi s SER 190 N -3.04 3.60 0.08 -0.34 0.01 -1.26 0.50 113.70 113.25 2bdi s SER 190 Ca 0.14 -0.04 -0.02 0.00 1.31 0.00 0.00 55.95 57.34 2bdi s SER 190 Cb -0.00 -0.12 0.01 0.00 0.21 0.00 0.00 66.02 66.12 2bdi s SER 190 CO 0.02 -2.39 0.14 0.00 0.41 0.00 0.00 173.24 171.42 2bdi n ASN 192 N -1.33 2.70 0.00 0.00 4.13 -1.26 -2.25 115.26 117.25 2bdi n ASN 192 Ca -0.01 1.12 0.00 0.00 1.68 0.00 0.00 54.58 57.36 2bdi n ASN 192 Cb 0.12 -1.39 0.00 0.00 -1.54 0.00 0.00 39.78 36.97 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 2.68 0.18 0.72 7.41 0.00 -1.26 -0.57 105.19 114.35 2bdi n GLY 193 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.26 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 2.49 -4.63 1.61 8.00 -0.96 -3.56 116.55 119.50 2bdi n ASP 194 Ca 0.00 -1.75 -0.44 0.00 0.71 0.00 0.00 54.79 53.32 2bdi n ASP 194 Cb 0.00 0.02 -0.01 0.00 -0.02 0.00 0.00 41.12 41.11 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 0.98 1.85 0.00 -2.24 7.64 -1.26 -0.09 113.62 120.50 2bdi n SER 195 Ca 0.11 1.19 0.00 0.00 1.01 0.00 0.00 58.87 61.17 2bdi n SER 195 Cb 0.46 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 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 1.09 2.08 3.66 0.23 0.00 0.35 -1.34 105.19 111.27 2bdi n GLY 196 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 1.61 0.34 -0.02 0.00 0.88 -3.66 107.32 104.47 2bdi s GLY 197 Ca 0.00 0.04 -0.12 0.00 0.00 0.00 0.00 44.72 44.64 2bdi s GLY 197 CO 0.00 0.56 0.71 2.56 0.00 0.00 0.00 173.10 176.93 2bdi s PRO 198 N -4.78 3.86 -0.26 2.90 0.04 -1.26 -0.68 135.00 134.81 2bdi s PRO 198 Ca 0.65 0.48 -0.01 0.00 0.04 0.00 0.00 61.00 62.16 2bdi s PRO 198 Cb -0.20 -2.46 0.08 0.00 0.04 0.00 0.00 34.50 31.96 2bdi s PRO 198 CO 0.59 0.11 0.06 -1.17 0.04 0.00 0.00 177.00 176.63 2bdi s LEU 199 N -3.33 1.90 0.05 -3.56 2.96 -0.17 -3.41 118.68 113.11 2bdi s LEU 199 Ca 0.51 -1.31 -0.12 0.00 -0.22 0.00 0.00 54.13 52.99 2bdi s LEU 199 Cb -0.10 -0.80 -0.06 0.00 0.50 0.00 0.00 46.19 45.72 2bdi s LEU 199 CO 0.24 -0.36 0.42 -0.63 -1.32 0.00 0.00 176.35 174.70 2bdi s ILE 200 N 1.68 5.05 -0.25 6.68 -1.09 0.21 -0.17 121.20 133.30 2bdi s ILE 200 Ca 0.04 0.66 -0.03 0.00 -2.23 0.00 0.00 60.65 59.09 2bdi s ILE 200 Cb -0.17 -3.68 0.11 0.00 -1.58 0.00 0.00 42.46 37.14 2bdi s ILE 200 CO -0.18 0.42 0.23 0.00 -1.23 0.00 0.00 174.94 174.18 2bdi n ASN 202 N 5.31 -2.70 -0.01 0.00 5.03 -1.26 -2.87 115.26 118.76 2bdi n ASN 202 Ca -0.04 -0.42 -0.00 0.00 0.87 0.00 0.00 54.58 54.98 2bdi n ASN 202 Cb 0.47 -3.73 -0.00 0.00 -1.02 0.00 0.00 39.78 35.50 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 -1.20 0.20 3.59 7.41 0.00 -1.26 -5.00 105.19 108.94 2bdi n GLY 203 Ca -0.16 -0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.40 2.66 -0.54 1.61 1.51 -1.14 -4.73 117.35 115.32 2bdi s TYR 208 Ca 0.00 -0.22 -0.28 0.00 -1.01 0.00 0.00 57.07 55.56 2bdi s TYR 208 Cb 0.00 -1.27 0.03 0.00 -0.11 0.00 0.00 41.96 40.61 2bdi s TYR 208 CO 0.00 0.54 1.14 -1.17 -1.11 0.00 0.00 175.55 174.94 2bdi s LEU 209 N -3.01 3.60 -0.17 -1.29 2.96 0.10 -0.05 118.68 120.82 2bdi s LEU 209 Ca 0.26 0.19 0.00 0.00 -0.22 0.00 0.00 54.13 54.36 2bdi s LEU 209 Cb -0.08 -3.27 -0.22 0.00 0.50 0.00 0.00 46.19 43.12 2bdi s LEU 209 CO 0.16 -1.36 0.14 1.67 -1.32 0.00 0.00 176.35 175.64 2bdi n GLN 210 N 8.08 0.70 -3.83 1.98 -0.06 0.76 -0.54 117.38 124.47 2bdi n GLN 210 Ca 0.09 0.20 -0.09 0.00 -2.00 0.00 0.00 57.00 55.20 2bdi n GLN 210 Cb 0.49 -1.63 0.02 0.00 -4.06 0.00 0.00 30.24 25.06 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 -5.90 0.44 0.01 1.69 0.00 -0.84 -3.08 107.32 99.63 2bdi s GLY 211 Ca -0.25 -0.79 0.07 0.00 0.00 0.00 0.00 44.72 43.75 2bdi s GLY 211 CO 0.71 -0.35 -0.23 1.08 0.00 0.00 0.00 173.10 174.31 2bdi s LEU 212 N -3.08 2.09 -0.20 0.66 1.43 -1.21 -1.00 118.68 117.36 2bdi s LEU 212 Ca 0.16 -0.46 -0.29 0.00 -1.03 0.00 0.00 54.13 52.52 2bdi s LEU 212 Cb -0.05 -1.15 -0.05 0.00 0.03 0.00 0.00 46.19 44.98 2bdi s LEU 212 CO 0.12 0.25 2.00 -0.69 0.23 0.00 0.00 176.35 178.26 2bdi s VAL 213 N -0.63 3.21 0.00 -1.59 1.01 0.14 -1.14 120.40 121.40 2bdi s VAL 213 Ca 0.09 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.30 2bdi s VAL 213 Cb -0.09 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.04 2bdi s VAL 213 CO 0.00 -0.13 0.00 -0.24 0.00 0.00 0.00 175.10 174.73 2bdi n SER 214 N 10.29 0.00 -2.44 3.32 2.88 -1.01 0.13 113.62 126.78 2bdi n SER 214 Ca 0.25 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.72 2bdi n SER 214 Cb 0.45 -0.38 0.02 0.00 -0.75 0.00 0.00 64.21 63.55 2bdi n SER 214 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 2bdi n PHE 215 N -2.44 -2.07 0.00 0.66 1.16 -1.13 -4.88 117.46 108.77 2bdi n PHE 215 Ca 0.00 -1.52 0.00 0.00 -1.87 0.00 0.00 57.45 54.06 2bdi n PHE 215 Cb 0.00 0.74 0.00 0.00 -1.61 0.00 0.00 39.48 38.61 2bdi n PHE 215 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2bdi n GLY 216 N -0.43 0.88 3.71 4.97 0.00 -1.26 0.19 105.19 113.25 2bdi n GLY 216 Ca -0.07 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 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 1.73 0.11 1.61 1.02 -1.26 -5.02 119.74 115.92 2bdi s LYS 217 Ca 0.00 1.52 0.09 0.00 0.02 0.00 0.00 55.97 57.60 2bdi s LYS 217 Cb 0.00 -1.81 -0.04 0.00 -0.52 0.00 0.00 37.83 35.46 2bdi s LYS 217 CO 0.00 -2.10 -0.23 0.00 -0.92 0.00 0.00 175.35 172.10 2bdi s ALA 218 N -2.49 2.00 1.19 5.17 0.00 -1.26 -4.09 121.76 122.28 2bdi s ALA 218 Ca 0.68 -1.31 -0.18 0.00 0.00 0.00 0.00 51.96 51.15 2bdi s ALA 218 Cb -0.23 -0.30 0.28 0.00 0.00 0.00 0.00 23.12 22.86 2bdi s ALA 218 CO 0.53 0.43 1.09 -1.25 0.00 0.00 0.00 175.76 176.55 2bdi s PRO 219 N -1.89 -1.09 1.24 0.00 0.04 -1.26 -5.11 135.00 126.93 2bdi s PRO 219 Ca 0.09 0.08 -0.21 0.00 0.04 0.00 0.00 61.00 61.00 2bdi s PRO 219 Cb -0.10 -1.60 0.31 0.00 0.04 0.00 0.00 34.50 33.15 2bdi s PRO 219 CO 0.05 -3.65 1.12 0.00 0.04 0.00 0.00 177.00 174.55 2bdi n GLY 220 N -1.03 -0.49 3.77 0.00 0.00 -1.26 -4.89 105.19 101.29 2bdi n GLY 220 Ca 0.15 0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -5.36 4.63 0.24 1.61 -0.21 -1.26 -4.61 119.66 114.70 2bdi s GLN 221 Ca 0.13 1.25 -0.30 0.00 0.02 0.00 0.00 55.36 56.46 2bdi s GLN 221 Cb -0.07 -3.18 -0.10 0.00 1.00 0.00 0.00 33.01 30.66 2bdi s GLN 221 CO 0.16 0.51 1.47 0.08 -2.12 0.00 0.00 175.29 175.39 2bdi s VAL 222 N -1.25 2.60 0.00 1.09 1.01 -1.26 -2.05 120.40 120.54 2bdi s VAL 222 Ca 0.40 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.87 2bdi s VAL 222 Cb -0.23 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.83 2bdi s VAL 222 CO 0.27 0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.06 2bdi n GLY 223 N 2.36 0.78 2.77 4.51 0.00 0.12 -4.95 105.19 110.77 2bdi n GLY 223 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.13 1.67 0.88 1.61 1.01 -0.87 -5.03 120.40 116.55 2bdi s VAL 224 Ca 0.00 -2.72 -0.11 0.00 0.00 0.00 0.00 61.98 59.15 2bdi s VAL 224 Cb 0.00 -2.17 0.12 0.00 0.00 0.00 0.00 36.38 34.33 2bdi s VAL 224 CO 0.00 -0.87 1.09 -2.16 0.00 0.00 0.00 175.10 173.16 2bdi s PRO 225 N 0.22 1.37 0.39 2.72 0.04 -1.26 -4.32 135.00 134.16 2bdi s PRO 225 Ca 0.17 0.95 -0.00 0.00 0.04 0.00 0.00 61.00 62.16 2bdi s PRO 225 Cb -0.25 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 2bdi s PRO 225 CO 0.00 -2.20 0.61 0.20 0.04 0.00 0.00 177.00 175.65 2bdi s GLY 226 N -3.33 1.41 -0.04 0.56 0.00 -1.09 -4.66 107.32 100.18 2bdi s GLY 226 Ca 0.63 -0.90 -0.02 0.00 0.00 0.00 0.00 44.72 44.44 2bdi s GLY 226 CO 0.57 -0.80 0.08 0.14 0.00 0.00 0.00 173.10 173.10 2bdi s VAL 227 N -2.43 4.84 0.04 1.40 1.01 0.13 -1.61 120.40 123.78 2bdi s VAL 227 Ca 0.43 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.20 2bdi s VAL 227 Cb -0.10 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 2bdi s VAL 227 CO 0.38 0.45 -0.08 -0.31 0.00 0.00 0.00 175.10 175.54 2bdi s TYR 228 N -1.11 0.69 0.16 5.22 1.51 0.16 -2.42 117.35 121.56 2bdi s TYR 228 Ca 0.20 -0.41 -0.31 0.00 -1.01 0.00 0.00 57.07 55.53 2bdi s TYR 228 Cb -0.12 -0.42 -0.09 0.00 -0.11 0.00 0.00 41.96 41.23 2bdi s TYR 228 CO 0.10 -0.06 1.45 0.99 -1.11 0.00 0.00 175.55 176.92 2bdi s THR 229 N -1.12 2.98 -1.27 -0.71 2.01 -0.29 -0.82 115.64 116.43 2bdi s THR 229 Ca -0.07 0.73 -0.14 0.00 0.31 0.00 0.00 61.69 62.52 2bdi s THR 229 Cb -0.08 -3.47 0.13 0.00 0.01 0.00 0.00 72.50 69.09 2bdi s THR 229 CO 0.00 0.07 1.64 -3.20 -0.69 0.00 0.00 174.62 172.45 2bdi n ASN 230 N 3.63 5.02 0.19 3.53 5.15 -0.66 -3.33 115.26 128.79 2bdi n ASN 230 Ca 0.11 -2.97 0.18 0.00 -0.60 0.00 0.00 54.58 51.30 2bdi n ASN 230 Cb 0.41 -1.62 0.72 0.00 -0.53 0.00 0.00 39.78 38.76 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 10.38 0.00 0.00 1.20 3.38 -1.87 0.37 115.31 128.77 2bdi h LEU 231 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 2bdi h LEU 231 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2bdi h LEU 231 CO 1.41 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.94 2bdi n LYS 233 N -0.87 0.50 -0.37 0.00 4.76 0.13 -4.44 118.16 117.87 2bdi n LYS 233 Ca 0.14 -0.03 0.07 0.00 -2.87 0.00 0.00 58.31 55.61 2bdi n LYS 233 Cb 0.06 -1.44 0.19 0.00 -1.84 0.00 0.00 35.03 32.00 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 -1.59 0.33 0.30 2.13 3.72 -0.14 -4.79 117.46 117.41 2bdi n PHE 234 Ca 0.02 -1.18 -0.18 0.00 -0.05 0.00 0.00 57.45 56.06 2bdi n PHE 234 Cb 0.34 -0.25 -0.09 0.00 -0.94 0.00 0.00 39.48 38.54 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 0.71 0.07 -0.62 4.37 1.35 -1.77 0.42 112.91 117.42 2bdi h THR 235 Ca 0.03 0.00 0.13 0.00 -0.55 0.00 0.00 66.41 66.02 2bdi h THR 235 Cb 1.18 0.07 -0.10 0.00 -1.73 0.00 0.00 68.15 67.56 2bdi h THR 235 CO 0.10 0.00 0.01 -0.08 -0.25 0.00 0.00 175.52 175.29 2bdi h GLU 236 N -0.98 0.12 -0.23 4.72 4.81 -1.94 0.19 114.58 121.26 2bdi h GLU 236 Ca -0.06 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 2bdi h GLU 236 Cb 0.85 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 2bdi h GLU 236 CO -0.04 0.08 0.11 2.35 -0.73 0.00 0.00 179.01 180.78 2bdi h TRP 237 N 0.12 0.33 -0.72 0.92 7.01 -1.81 -0.86 115.95 120.95 2bdi h TRP 237 Ca 0.33 -0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.40 2bdi h TRP 237 Cb 0.53 -0.10 -0.05 0.00 -2.10 0.00 0.00 29.16 27.44 2bdi h TRP 237 CO -0.36 0.32 0.47 0.82 -2.79 0.00 0.00 178.44 176.90 2bdi h ILE 238 N 0.25 0.97 0.31 2.65 2.04 0.13 -2.16 117.51 121.70 2bdi h ILE 238 Ca 0.08 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 2bdi h ILE 238 Cb 0.11 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 2bdi h ILE 238 CO -0.01 0.12 -0.15 -0.08 0.00 0.00 0.00 178.15 178.03 2bdi h GLU 239 N 0.67 -0.40 -0.71 2.37 4.57 -0.19 -1.48 114.58 119.40 2bdi h GLU 239 Ca 0.32 0.03 0.21 0.00 -1.18 0.00 0.00 59.36 58.74 2bdi h GLU 239 Cb 0.39 0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.04 2bdi h GLU 239 CO -0.11 -0.27 0.79 -0.22 -1.18 0.00 0.00 179.01 178.02 2bdi h LYS 240 N -0.84 0.00 0.00 1.92 3.64 -1.09 -0.39 116.57 119.81 2bdi h LYS 240 Ca -0.04 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2bdi h LYS 240 Cb 0.32 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2bdi h LYS 240 CO 0.07 0.00 -0.26 1.15 -2.27 0.00 0.00 179.45 178.14 2bdi h THR 241 N 0.00 0.11 -0.61 1.00 2.02 -1.37 -3.13 112.91 110.94 2bdi h THR 241 Ca 0.34 -1.10 0.10 0.00 0.77 0.00 0.00 66.41 66.52 2bdi h THR 241 Cb 1.91 0.23 -0.08 0.00 -1.74 0.00 0.00 68.15 68.48 2bdi h THR 241 CO -0.00 0.04 0.20 0.58 0.37 0.00 0.00 175.52 176.71 2bdi h VAL 242 N -1.00 0.73 0.00 3.16 2.07 -0.37 -3.35 116.25 117.50 2bdi h VAL 242 Ca -0.01 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2bdi h VAL 242 Cb 0.30 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 2bdi h VAL 242 CO -0.01 0.07 0.00 1.67 0.02 0.00 0.00 177.57 179.32 2bdi n GLN 243 N -5.03 0.00 0.00 1.57 -0.06 -0.24 -5.10 117.38 108.52 2bdi n GLN 243 Ca 0.09 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.09 2bdi n GLN 243 Cb 0.29 -0.04 0.00 0.00 -4.06 0.00 0.00 30.24 26.43 2bdi n GLN 243 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86