#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 4.69 -1.27 1.39 -1.09 0.19 -4.01 121.20 121.10 2bdi s ILE 17 Ca 0.00 -0.06 -0.04 0.00 -2.23 0.00 0.00 60.65 58.32 2bdi s ILE 17 Cb 0.00 -3.15 0.00 0.00 -1.58 0.00 0.00 42.46 37.74 2bdi s ILE 17 CO 0.00 0.41 1.08 0.59 -1.23 0.00 0.00 174.94 175.79 2bdi n ASN 18 N 4.06 -4.00 0.00 3.58 5.03 -1.26 -2.19 115.26 120.47 2bdi n ASN 18 Ca -0.16 -0.58 0.00 0.00 0.87 0.00 0.00 54.58 54.71 2bdi n ASN 18 Cb 0.52 -5.08 0.00 0.00 -1.02 0.00 0.00 39.78 34.20 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 7.59 3.32 7.41 0.00 -1.26 -4.83 105.19 115.89 2bdi n GLY 19 Ca -0.15 -2.00 -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 1.09 1.15 0.07 1.61 2.02 -0.88 -4.94 118.70 118.82 2bdi s GLU 20 Ca 0.00 -1.22 -0.34 0.00 0.02 0.00 0.00 54.97 53.43 2bdi s GLU 20 Cb 0.00 0.36 -0.13 0.00 0.10 0.00 0.00 34.13 34.46 2bdi s GLU 20 CO 0.00 -0.41 1.70 -0.25 0.02 0.00 0.00 175.26 176.32 2bdi n ASP 21 N -0.21 3.27 -4.84 -0.19 9.92 -1.26 -1.19 116.55 122.04 2bdi n ASP 21 Ca -0.07 1.04 -0.31 0.00 -0.53 0.00 0.00 54.79 54.92 2bdi n ASP 21 Cb 0.63 -1.41 0.03 0.00 -0.64 0.00 0.00 41.12 39.73 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 -3.92 6.26 -0.40 0.00 0.15 -1.26 -4.78 113.70 109.75 2bdi s SER 23 Ca 0.57 2.28 -0.38 0.00 0.70 0.00 0.00 55.95 59.12 2bdi s SER 23 Cb -0.13 -2.53 -0.16 0.00 -1.71 0.00 0.00 66.02 61.50 2bdi s SER 23 CO 0.54 -1.26 1.33 -2.65 1.20 0.00 0.00 173.24 172.40 2bdi n PRO 24 N 7.76 0.00 -1.51 5.44 -0.02 -1.26 0.11 135.00 145.52 2bdi n PRO 24 Ca 0.21 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.58 2bdi n PRO 24 Cb 0.43 -1.21 -0.04 0.00 -0.02 0.00 0.00 33.50 32.66 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 3.50 -0.11 0.67 6.00 8.25 -1.26 -4.89 115.22 127.38 2bdi n HIS 25 Ca 0.27 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.85 2bdi n HIS 25 Cb -0.05 -2.28 0.47 0.00 1.12 0.00 0.00 29.99 29.25 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 0.03 0.39 -3.30 0.41 3.41 0.30 -3.94 113.62 110.92 2bdi n SER 26 Ca -0.12 0.56 -0.25 0.00 -0.26 0.00 0.00 58.87 58.79 2bdi n SER 26 Cb 0.43 -0.66 -0.07 0.00 -0.26 0.00 0.00 64.21 63.65 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 1.72 0.00 4.33 1.13 -1.26 -4.97 117.38 116.44 2bdi n GLN 27 Ca 0.05 -4.02 0.00 0.00 -1.94 0.00 0.00 57.00 51.09 2bdi n GLN 27 Cb 0.32 -1.79 0.01 0.00 0.11 0.00 0.00 30.24 28.88 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 1.05 0.00 0.00 -1.09 -0.04 -1.25 -1.50 135.00 132.16 2bdi n PRO 28 Ca 0.26 0.49 0.12 0.00 -0.04 0.00 0.00 63.50 64.33 2bdi n PRO 28 Cb 0.47 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.71 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 -1.49 0.00 -1.97 0.54 2.14 -1.04 -2.11 117.44 113.52 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 -0.16 -0.03 0.00 -0.81 0.00 0.00 31.31 30.31 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 -0.12 -2.67 2.00 -0.56 -1.08 119.66 118.71 2bdi s GLN 30 Ca 0.18 2.30 0.01 0.00 -2.00 0.00 0.00 55.36 55.85 2bdi s GLN 30 Cb 0.18 -3.43 -0.01 0.00 0.80 0.00 0.00 33.01 30.56 2bdi s GLN 30 CO 0.62 -0.66 -0.16 0.00 -0.50 0.00 0.00 175.29 174.58 2bdi s ALA 31 N 2.02 2.48 -0.12 1.58 0.00 0.29 -4.32 121.76 123.69 2bdi s ALA 31 Ca 0.71 -0.92 -0.07 0.00 0.00 0.00 0.00 51.96 51.69 2bdi s ALA 31 Cb -0.40 -1.09 -0.04 0.00 0.00 0.00 0.00 23.12 21.59 2bdi s ALA 31 CO 0.31 0.26 0.14 0.00 0.00 0.00 0.00 175.76 176.47 2bdi s ALA 32 N 0.35 3.87 -0.29 0.00 0.00 -0.39 0.12 121.76 125.42 2bdi s ALA 32 Ca -0.13 -0.64 -0.03 0.00 0.00 0.00 0.00 51.96 51.16 2bdi s ALA 32 Cb -0.17 -1.98 0.03 0.00 0.00 0.00 0.00 23.12 21.01 2bdi s ALA 32 CO 0.07 0.61 0.01 -0.51 0.00 0.00 0.00 175.76 175.94 2bdi s LEU 33 N -1.00 3.77 0.07 0.00 1.02 0.45 -0.48 118.68 122.50 2bdi s LEU 33 Ca 0.15 -1.05 0.08 0.00 0.02 0.00 0.00 54.13 53.33 2bdi s LEU 33 Cb -0.12 -1.75 -0.03 0.00 0.02 0.00 0.00 46.19 44.30 2bdi s LEU 33 CO 0.04 -0.22 -0.18 0.68 0.02 0.00 0.00 176.35 176.68 2bdi s VAL 34 N 1.34 2.80 0.00 -1.59 -7.23 -1.13 -1.33 120.40 113.27 2bdi s VAL 34 Ca -0.02 -1.29 0.00 0.00 -1.81 0.00 0.00 61.98 58.86 2bdi s VAL 34 Cb -0.18 -2.22 0.00 0.00 0.56 0.00 0.00 36.38 34.54 2bdi s VAL 34 CO -0.01 0.26 0.00 0.23 -0.31 0.00 0.00 175.10 175.27 2bdi n MET 35 N 1.30 3.83 -0.22 4.82 2.81 0.14 -3.76 117.12 126.03 2bdi n MET 35 Ca -0.16 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.69 2bdi n MET 35 Cb 0.52 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 33.00 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 -0.21 -0.44 0.03 4.71 -1.26 -3.55 120.64 119.92 2bdi n GLU 36 Ca 0.00 0.82 0.00 0.00 -0.01 0.00 0.00 57.16 57.97 2bdi n GLU 36 Cb 0.00 -1.21 0.00 0.00 -1.01 0.00 0.00 31.44 29.22 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 -4.71 0.00 -4.17 1.62 4.13 -1.26 -5.13 115.26 105.74 2bdi n ASN 37 Ca 0.02 -1.10 -0.11 0.00 1.68 0.00 0.00 54.58 55.08 2bdi n ASN 37 Cb 0.16 -0.02 -0.10 0.00 -1.54 0.00 0.00 39.78 38.28 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 0.86 0.05 3.52 2.12 -1.23 -5.12 118.70 118.90 2bdi s GLU 38 Ca 0.00 -1.36 -0.25 0.00 0.36 0.00 0.00 54.97 53.72 2bdi s GLU 38 Cb 0.00 -0.12 -0.06 0.00 0.26 0.00 0.00 34.13 34.21 2bdi s GLU 38 CO 0.00 -0.07 0.77 -1.17 -0.54 0.00 0.00 175.26 174.25 2bdi s LEU 40 N -3.05 4.46 0.00 2.70 1.98 -1.26 0.24 118.68 123.74 2bdi s LEU 40 Ca 0.14 1.46 0.00 0.00 -2.89 0.00 0.00 54.13 52.85 2bdi s LEU 40 Cb 0.06 -3.24 0.00 0.00 0.66 0.00 0.00 46.19 43.67 2bdi s LEU 40 CO -0.03 0.03 0.00 2.22 -1.89 0.00 0.00 176.35 176.68 2bdi n PHE 41 N 2.70 0.00 -3.99 5.38 -1.74 -0.44 -4.94 117.46 114.43 2bdi n PHE 41 Ca -0.03 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.78 2bdi n PHE 41 Cb 0.50 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.41 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 -2.91 4.13 0.32 0.00 0.01 -0.73 0.17 113.70 114.69 2bdi s SER 43 Ca 0.08 -1.28 -0.09 0.00 1.31 0.00 0.00 55.95 55.97 2bdi s SER 43 Cb 0.06 -0.32 0.01 0.00 0.21 0.00 0.00 66.02 65.99 2bdi s SER 43 CO -0.09 -0.55 0.54 -0.83 0.41 0.00 0.00 173.24 172.73 2bdi s GLY 44 N -3.82 0.93 -0.08 3.44 0.00 0.12 -4.11 107.32 103.80 2bdi s GLY 44 Ca 0.34 -1.14 0.02 0.00 0.00 0.00 0.00 44.72 43.95 2bdi s GLY 44 CO 0.18 -0.73 -0.13 0.14 0.00 0.00 0.00 173.10 172.57 2bdi s VAL 45 N -3.23 1.21 -0.56 1.40 1.01 0.30 -0.55 120.40 119.99 2bdi s VAL 45 Ca 0.25 -0.50 -0.27 0.00 0.00 0.00 0.00 61.98 61.45 2bdi s VAL 45 Cb -0.02 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.24 2bdi s VAL 45 CO 0.15 0.38 1.72 -0.22 0.00 0.00 0.00 175.10 177.13 2bdi s LEU 46 N 0.81 3.34 0.00 3.92 2.96 -0.24 0.42 118.68 129.88 2bdi s LEU 46 Ca -0.12 0.43 0.20 0.00 -0.22 0.00 0.00 54.13 54.42 2bdi s LEU 46 Cb -0.15 -2.79 0.34 0.00 0.50 0.00 0.00 46.19 44.08 2bdi s LEU 46 CO 0.02 -2.10 1.29 1.33 -1.32 0.00 0.00 176.35 175.56 2bdi n VAL 47 N 7.12 0.45 -3.58 1.68 0.24 -1.01 -1.70 118.33 121.53 2bdi n VAL 47 Ca 0.18 -0.73 -0.06 0.00 -2.04 0.00 0.00 64.34 61.69 2bdi n VAL 47 Cb 0.50 1.00 -0.03 0.00 -1.47 0.00 0.00 33.84 33.85 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 -1.37 -0.22 0.41 6.34 5.65 -1.20 -4.74 115.29 120.16 2bdi s HIS 48 Ca 0.32 0.24 0.15 0.00 0.25 0.00 0.00 55.06 56.03 2bdi s HIS 48 Cb 0.19 0.50 1.03 0.00 -1.18 0.00 0.00 32.58 33.12 2bdi s HIS 48 CO 0.27 -0.27 1.89 -1.35 -0.65 0.00 0.00 174.74 174.63 2bdi h PRO 49 N 2.15 0.44 -0.07 2.88 0.11 -1.92 -2.72 132.00 132.87 2bdi h PRO 49 Ca -0.14 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.93 2bdi h PRO 49 Cb 1.18 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2bdi h PRO 49 CO 0.26 0.29 -0.16 0.94 -0.21 0.00 0.00 178.00 179.13 2bdi n GLN 50 N -4.50 1.64 -3.77 1.05 7.27 -1.26 -1.59 117.38 116.22 2bdi n GLN 50 Ca 0.16 -2.90 -0.14 0.00 0.07 0.00 0.00 57.00 54.20 2bdi n GLN 50 Cb 0.57 -1.61 -0.15 0.00 2.41 0.00 0.00 30.24 31.46 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 -0.08 -0.17 3.69 0.52 -1.03 -1.43 118.94 117.41 2bdi s TRP 51 Ca 0.36 0.31 -0.00 0.00 0.02 0.00 0.00 56.10 56.79 2bdi s TRP 51 Cb 0.33 -0.12 0.00 0.00 -1.15 0.00 0.00 33.47 32.53 2bdi s TRP 51 CO 0.00 -0.12 -0.14 0.08 0.02 0.00 0.00 176.95 176.79 2bdi s VAL 52 N 0.93 2.67 0.13 4.03 1.01 0.49 -2.41 120.40 127.24 2bdi s VAL 52 Ca -0.07 -0.76 -0.19 0.00 0.00 0.00 0.00 61.98 60.97 2bdi s VAL 52 Cb -0.10 -2.14 -0.07 0.00 0.00 0.00 0.00 36.38 34.07 2bdi s VAL 52 CO -0.04 0.50 0.61 -0.22 0.00 0.00 0.00 175.10 175.95 2bdi s LEU 53 N 1.01 4.45 0.00 3.92 2.96 0.17 -0.08 118.68 131.10 2bdi s LEU 53 Ca -0.02 1.27 -0.13 0.00 -0.22 0.00 0.00 54.13 55.03 2bdi s LEU 53 Cb -0.15 -3.14 0.05 0.00 0.50 0.00 0.00 46.19 43.45 2bdi s LEU 53 CO -0.03 0.18 0.70 -0.24 -1.32 0.00 0.00 176.35 175.65 2bdi n SER 54 N 1.30 -1.96 -4.71 3.68 2.88 -0.07 0.11 113.62 114.86 2bdi n SER 54 Ca -0.07 -2.33 -0.41 0.00 -1.33 0.00 0.00 58.87 54.73 2bdi n SER 54 Cb 0.51 3.26 -0.04 0.00 -0.75 0.00 0.00 64.21 67.19 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 -1.93 3.25 0.48 -1.46 0.00 -1.26 0.69 121.76 121.53 2bdi s ALA 55 Ca 0.14 0.35 0.28 0.00 0.00 0.00 0.00 51.96 52.73 2bdi s ALA 55 Cb -0.04 -3.17 1.36 0.00 0.00 0.00 0.00 23.12 21.27 2bdi s ALA 55 CO 0.10 -0.18 1.82 0.00 0.00 0.00 0.00 175.76 177.49 2bdi h ALA 56 N 6.79 2.70 0.00 0.00 0.00 -1.64 0.46 119.26 127.58 2bdi h ALA 56 Ca -0.41 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2bdi h ALA 56 Cb 1.21 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2bdi h ALA 56 CO 0.75 -1.04 0.00 -2.39 0.00 0.00 0.00 179.25 176.58 2bdi n HIS 57 N -4.37 0.00 0.33 0.00 1.44 -1.26 -2.33 115.22 109.02 2bdi n HIS 57 Ca 0.23 -0.03 0.04 0.00 -2.01 0.00 0.00 57.72 55.95 2bdi n HIS 57 Cb 1.02 -0.11 0.00 0.00 0.12 0.00 0.00 29.99 31.03 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 -0.21 0.04 -4.14 0.00 7.35 -0.98 -4.98 117.46 114.54 2bdi n PHE 59 Ca 0.03 0.91 -0.14 0.00 -0.76 0.00 0.00 57.45 57.49 2bdi n PHE 59 Cb 0.16 -2.05 -0.06 0.00 0.35 0.00 0.00 39.48 37.88 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 -1.02 1.69 0.03 -4.13 -1.52 -1.26 -5.05 119.66 108.40 2bdi s GLN 60 Ca 0.65 -1.71 0.12 0.00 -1.95 0.00 0.00 55.36 52.47 2bdi s GLN 60 Cb -0.90 0.39 -0.19 0.00 -0.22 0.00 0.00 33.01 32.09 2bdi s GLN 60 CO 0.57 -0.66 0.89 -0.91 -0.25 0.00 0.00 175.29 174.92 2bdi h ASN 61 N 2.23 0.00 -3.99 5.90 2.35 -1.96 -3.46 115.58 116.66 2bdi h ASN 61 Ca -0.29 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.34 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 0.40 0.91 -0.25 -0.94 -1.65 0.00 0.00 177.43 175.90 2bdi s SER 62 N -6.22 -0.39 0.26 5.81 1.04 -1.26 -4.60 113.70 108.33 2bdi s SER 62 Ca -0.02 0.73 0.12 0.00 0.48 0.00 0.00 55.95 57.25 2bdi s SER 62 Cb 0.09 0.75 -0.05 0.00 0.10 0.00 0.00 66.02 66.91 2bdi s SER 62 CO 0.82 -0.17 -0.19 -0.31 0.98 0.00 0.00 173.24 174.36 2bdi s TYR 63 N 0.06 2.32 -0.55 5.02 1.51 -0.13 -5.01 117.35 120.57 2bdi s TYR 63 Ca -0.01 -0.33 0.04 0.00 -1.01 0.00 0.00 57.07 55.76 2bdi s TYR 63 Cb -0.03 -1.04 0.14 0.00 -0.11 0.00 0.00 41.96 40.93 2bdi s TYR 63 CO 0.01 0.67 0.33 0.99 -1.11 0.00 0.00 175.55 176.43 2bdi s THR 64 N -2.32 2.36 0.08 -0.71 2.01 -1.25 -2.60 115.64 113.22 2bdi s THR 64 Ca 0.28 -3.43 -0.30 0.00 0.31 0.00 0.00 61.69 58.56 2bdi s THR 64 Cb -0.06 -2.61 -0.05 0.00 0.01 0.00 0.00 72.50 69.79 2bdi s THR 64 CO 0.14 -0.89 0.96 -0.63 -0.69 0.00 0.00 174.62 173.50 2bdi s ILE 65 N -0.49 4.61 -0.24 1.82 1.01 -0.99 -2.82 121.20 124.10 2bdi s ILE 65 Ca 0.20 2.05 -0.05 0.00 0.00 0.00 0.00 60.65 62.85 2bdi s ILE 65 Cb -0.18 -4.31 -0.01 0.00 0.01 0.00 0.00 42.46 37.96 2bdi s ILE 65 CO -0.06 0.28 -0.00 -0.83 0.00 0.00 0.00 174.94 174.33 2bdi s GLY 66 N 0.26 1.67 0.21 6.18 0.00 0.37 -1.31 107.32 114.70 2bdi s GLY 66 Ca 0.48 -1.19 0.07 0.00 0.00 0.00 0.00 44.72 44.08 2bdi s GLY 66 CO 0.29 0.48 0.11 1.08 0.00 0.00 0.00 173.10 175.06 2bdi s LEU 67 N 1.51 3.63 -1.59 0.66 1.43 -0.46 -1.26 118.68 122.60 2bdi s LEU 67 Ca 0.06 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 2bdi s LEU 67 Cb -0.15 -2.21 0.00 0.00 0.03 0.00 0.00 46.19 43.86 2bdi s LEU 67 CO -0.01 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.21 2bdi n GLY 69 N -0.67 1.44 3.96 -3.19 0.00 -1.26 -1.51 105.19 103.97 2bdi n GLY 69 Ca -0.08 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.51 3.00 0.00 0.99 1.43 -1.26 -4.08 118.68 115.25 2bdi s LEU 70 Ca 0.00 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 2bdi s LEU 70 Cb 0.00 -2.81 0.00 0.00 0.03 0.00 0.00 46.19 43.41 2bdi s LEU 70 CO 0.00 -1.52 0.00 1.57 0.23 0.00 0.00 176.35 176.63 2bdi n HIS 71 N -2.73 -0.23 -4.31 0.29 -0.00 -1.26 -4.67 115.22 102.31 2bdi n HIS 71 Ca 0.09 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.56 2bdi n HIS 71 Cb 0.60 0.11 -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 -2.46 4.26 0.57 0.26 1.04 -1.26 -1.31 113.70 114.80 2bdi s SER 72 Ca 0.00 -0.63 0.35 0.00 0.48 0.00 0.00 55.95 56.14 2bdi s SER 72 Cb 0.00 -0.71 1.66 0.00 0.10 0.00 0.00 66.02 67.07 2bdi s SER 72 CO 0.00 0.07 2.11 -0.07 0.98 0.00 0.00 173.24 176.33 2bdi h LEU 73 N 2.63 0.00 -7.82 2.42 3.38 -1.95 -3.38 115.31 110.59 2bdi h LEU 73 Ca -0.46 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.24 2bdi h LEU 73 Cb 1.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 2bdi h LEU 73 CO 0.56 0.04 0.88 -0.62 0.09 0.00 0.00 178.44 179.39 2bdi n GLU 74 N -3.24 1.05 -0.32 1.13 -0.58 -1.26 -4.81 120.64 112.61 2bdi n GLU 74 Ca -0.01 -2.11 0.20 0.00 -0.42 0.00 0.00 57.16 54.83 2bdi n GLU 74 Cb 0.23 -3.66 0.40 0.00 -0.57 0.00 0.00 31.44 27.85 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 1.64 -0.23 0.62 0.00 -1.95 -1.39 119.26 128.10 2bdi h ALA 74 Ca 0.17 0.24 -0.25 0.00 0.00 0.00 0.00 54.91 55.07 2bdi h ALA 74 Cb 0.92 0.30 -0.10 0.00 0.00 0.00 0.00 17.79 18.92 2bdi h ALA 74 CO 1.27 -0.60 0.05 -0.40 0.00 0.00 0.00 179.25 179.57 2bdi n ASP 75 N -5.21 5.81 0.00 0.00 5.75 -1.26 -2.19 116.55 119.45 2bdi n ASP 75 Ca 0.28 -2.76 0.00 0.00 -0.01 0.00 0.00 54.79 52.30 2bdi n ASP 75 Cb 0.90 -1.24 0.00 0.00 -1.03 0.00 0.00 41.12 39.75 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 1.46 0.00 -3.97 0.11 6.02 -0.53 -5.05 117.38 115.43 2bdi n GLN 76 Ca 0.33 -0.02 -0.30 0.00 -0.01 0.00 0.00 57.00 57.00 2bdi n GLN 76 Cb 0.67 -0.19 -0.16 0.00 1.02 0.00 0.00 30.24 31.58 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 1.91 0.00 -1.09 0.41 -0.93 -5.02 118.70 113.98 2bdi s GLU 77 Ca 0.00 -0.70 0.00 0.00 -0.41 0.00 0.00 54.97 53.86 2bdi s GLU 77 Cb 0.00 -2.24 0.00 0.00 -1.78 0.00 0.00 34.13 30.11 2bdi s GLU 77 CO 0.00 -0.39 0.00 -2.30 -0.49 0.00 0.00 175.26 172.08 2bdi n PRO 78 N 4.75 0.00 0.00 0.39 -0.02 -1.26 -2.91 135.00 135.96 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 -0.29 0.00 0.00 -0.02 0.00 0.00 33.50 33.67 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 -4.75 105.19 101.71 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 -1.65 5.47 -0.11 1.61 1.04 -1.14 -4.75 113.70 114.16 2bdi s SER 80 Ca 0.00 2.69 -0.04 0.00 0.48 0.00 0.00 55.95 59.09 2bdi s SER 80 Cb 0.00 -2.63 0.05 0.00 0.10 0.00 0.00 66.02 63.54 2bdi s SER 80 CO 0.00 -1.43 0.08 -1.10 0.98 0.00 0.00 173.24 171.77 2bdi s GLN 81 N -2.84 0.01 -1.23 4.02 -0.21 -0.57 -4.99 119.66 113.85 2bdi s GLN 81 Ca 0.69 0.14 -0.14 0.00 0.02 0.00 0.00 55.36 56.08 2bdi s GLN 81 Cb -0.39 -1.21 0.16 0.00 1.00 0.00 0.00 33.01 32.57 2bdi s GLN 81 CO 0.46 -0.52 1.54 -1.33 -2.12 0.00 0.00 175.29 173.32 2bdi n MET 82 N 5.29 3.38 -1.65 2.91 2.81 -1.26 -1.36 117.12 127.24 2bdi n MET 82 Ca -0.05 -3.73 -0.30 0.00 -1.81 0.00 0.00 57.70 51.81 2bdi n MET 82 Cb 0.49 -3.08 0.21 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 1.71 1.86 0.09 2.03 -7.23 -0.42 -4.88 120.40 113.55 2bdi s VAL 83 Ca 0.44 0.00 0.03 0.00 -1.81 0.00 0.00 61.98 60.64 2bdi s VAL 83 Cb -0.00 -2.83 -0.03 0.00 0.56 0.00 0.00 36.38 34.08 2bdi s VAL 83 CO 0.01 0.00 -0.10 -1.61 -0.31 0.00 0.00 175.10 173.09 2bdi s GLU 84 N -5.75 0.79 0.16 4.82 2.02 -1.26 -2.35 118.70 117.13 2bdi s GLU 84 Ca 0.73 -1.10 -0.22 0.00 0.02 0.00 0.00 54.97 54.40 2bdi s GLU 84 Cb -0.05 -0.47 0.07 0.00 0.10 0.00 0.00 34.13 33.77 2bdi s GLU 84 CO 0.54 0.07 0.59 0.00 0.02 0.00 0.00 175.26 176.48 2bdi s ALA 85 N -2.34 -1.54 0.00 5.21 0.00 -1.07 -0.88 121.76 121.14 2bdi s ALA 85 Ca 0.03 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.42 2bdi s ALA 85 Cb -0.03 0.88 0.00 0.00 0.00 0.00 0.00 23.12 23.96 2bdi s ALA 85 CO -0.00 -0.77 0.00 -1.13 0.00 0.00 0.00 175.76 173.86 2bdi n SER 86 N -0.37 0.00 -4.58 0.00 3.41 -1.26 -0.95 113.62 109.86 2bdi n SER 86 Ca -0.17 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.02 2bdi n SER 86 Cb 0.65 0.00 -0.04 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 0.00 4.02 0.05 1.04 0.20 -1.26 -4.67 118.68 118.07 2bdi s LEU 87 Ca 0.00 0.35 0.09 0.00 0.69 0.00 0.00 54.13 55.26 2bdi s LEU 87 Cb 0.00 -3.19 -0.03 0.00 -0.43 0.00 0.00 46.19 42.54 2bdi s LEU 87 CO 0.00 -0.92 -0.26 -0.94 -0.29 0.00 0.00 176.35 173.94 2bdi s SER 88 N 2.03 3.21 -0.26 3.68 1.04 -1.26 -0.65 113.70 121.50 2bdi s SER 88 Ca 0.36 -0.60 0.01 0.00 0.48 0.00 0.00 55.95 56.20 2bdi s SER 88 Cb -0.11 -0.29 0.07 0.00 0.10 0.00 0.00 66.02 65.78 2bdi s SER 88 CO 0.22 0.25 -0.02 -0.69 0.98 0.00 0.00 173.24 173.98 2bdi s VAL 89 N -0.84 1.48 0.56 5.02 1.01 0.11 -4.99 120.40 122.75 2bdi s VAL 89 Ca 0.12 -1.35 -0.15 0.00 0.00 0.00 0.00 61.98 60.60 2bdi s VAL 89 Cb -0.10 -1.85 -0.06 0.00 0.00 0.00 0.00 36.38 34.37 2bdi s VAL 89 CO 0.03 -0.25 1.01 -0.13 0.00 0.00 0.00 175.10 175.76 2bdi s ARG 90 N 1.39 3.70 0.22 2.72 0.52 -1.26 -1.66 118.95 124.57 2bdi s ARG 90 Ca -0.01 0.98 -0.30 0.00 -0.52 0.00 0.00 55.73 55.87 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 -0.09 -0.48 1.30 -1.58 0.02 0.00 0.00 175.30 174.47 2bdi s HIS 91 N -2.70 3.24 0.22 -0.53 5.65 -0.84 -4.91 115.29 115.42 2bdi s HIS 91 Ca 0.59 1.25 -0.07 0.00 0.25 0.00 0.00 55.06 57.08 2bdi s HIS 91 Cb -0.12 -3.60 0.34 0.00 -1.18 0.00 0.00 32.58 28.03 2bdi s HIS 91 CO 0.37 -1.84 1.25 -2.30 -0.65 0.00 0.00 174.74 171.57 2bdi n PRO 92 N 2.39 -0.09 -0.30 2.88 -0.02 -1.26 -0.54 135.00 138.06 2bdi n PRO 92 Ca 0.05 1.25 0.05 0.00 -2.02 0.00 0.00 63.50 62.83 2bdi n PRO 92 Cb 0.43 -1.86 0.18 0.00 -0.02 0.00 0.00 33.50 32.22 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 -5.29 2.33 -1.60 -0.52 -0.58 -1.26 -4.99 120.64 108.73 2bdi n GLU 93 Ca 0.12 -1.44 -0.41 0.00 -0.42 0.00 0.00 57.16 55.02 2bdi n GLU 93 Cb 0.39 -1.54 0.02 0.00 -0.57 0.00 0.00 31.44 29.74 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 0.47 1.04 -1.13 -0.32 9.36 0.30 -1.68 117.16 125.20 2bdi n TYR 94 Ca 0.13 0.53 -0.07 0.00 3.32 0.00 0.00 57.90 61.81 2bdi n TYR 94 Cb 0.49 -2.20 -0.03 0.00 -0.63 0.00 0.00 39.34 36.96 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 0.34 -5.09 -3.72 2.98 2.85 0.26 -4.93 115.26 107.95 2bdi n ASN 95 Ca 0.10 0.17 -0.30 0.00 -0.11 0.00 0.00 54.58 54.45 2bdi n ASN 95 Cb 0.41 -3.59 -0.15 0.00 1.24 0.00 0.00 39.78 37.69 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 -2.44 0.73 0.98 1.20 1.81 -0.68 -2.63 118.95 117.92 2bdi s ARG 96 Ca 0.00 -1.12 -0.12 0.00 -1.72 0.00 0.00 55.73 52.77 2bdi s ARG 96 Cb 0.00 -1.96 0.18 0.00 -0.45 0.00 0.00 34.95 32.71 2bdi s ARG 96 CO 0.00 -1.01 1.09 -2.14 -0.68 0.00 0.00 175.30 172.57 2bdi s PRO 97 N 1.54 0.59 -0.23 3.54 0.02 -1.26 -4.86 135.00 134.34 2bdi s PRO 97 Ca 0.10 0.58 -0.42 0.00 0.02 0.00 0.00 61.00 61.29 2bdi s PRO 97 Cb -0.18 -1.75 -0.19 0.00 0.02 0.00 0.00 34.50 32.41 2bdi s PRO 97 CO -0.23 -2.64 1.45 -0.11 -0.33 0.00 0.00 177.00 175.14 2bdi n LEU 98 N -4.12 1.21 0.00 -5.54 7.94 -1.08 -0.00 117.00 115.41 2bdi n LEU 98 Ca 0.06 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.10 2bdi n LEU 98 Cb 0.57 -1.00 0.00 0.00 0.53 0.00 0.00 43.42 43.52 2bdi n LEU 98 CO 0.57 -1.07 0.00 0.18 -1.11 0.00 0.00 177.39 175.96 2bdi n LEU 99 N 3.41 0.00 -4.77 -1.96 4.77 -1.26 -4.96 117.00 112.23 2bdi n LEU 99 Ca 0.25 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.94 2bdi n LEU 99 Cb 0.06 -0.01 0.14 0.00 -2.33 0.00 0.00 43.42 41.28 2bdi n LEU 99 CO 0.76 0.00 0.71 0.00 -1.33 0.00 0.00 177.39 177.53 2bdi s ALA 100 N -2.11 1.69 -1.52 -1.18 0.00 1.00 -4.20 121.76 115.43 2bdi s ALA 100 Ca 0.00 -0.50 -0.08 0.00 0.00 0.00 0.00 51.96 51.38 2bdi s ALA 100 Cb 0.00 -3.04 0.06 0.00 0.00 0.00 0.00 23.12 20.14 2bdi s ALA 100 CO 0.00 -2.34 0.59 0.09 0.00 0.00 0.00 175.76 174.10 2bdi n ASN 101 N -3.81 -1.71 -2.72 0.00 4.13 -1.26 -0.58 115.26 109.32 2bdi n ASN 101 Ca 0.06 -0.99 -0.27 0.00 1.68 0.00 0.00 54.58 55.07 2bdi n ASN 101 Cb 0.59 -3.02 -0.09 0.00 -1.54 0.00 0.00 39.78 35.72 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 -2.86 7.16 -4.30 6.41 2.03 -1.26 -4.26 116.55 119.47 2bdi n ASP 102 Ca -0.15 -2.55 -0.21 0.00 0.52 0.00 0.00 54.79 52.40 2bdi n ASP 102 Cb 0.61 -1.49 -0.11 0.00 -0.72 0.00 0.00 41.12 39.40 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 0.03 2.40 -0.15 -2.67 2.34 -1.26 -2.69 118.68 116.68 2bdi s LEU 103 Ca 0.68 -0.81 -0.10 0.00 0.06 0.00 0.00 54.13 53.96 2bdi s LEU 103 Cb 0.25 -0.77 0.05 0.00 -0.56 0.00 0.00 46.19 45.15 2bdi s LEU 103 CO -0.04 -0.04 0.37 -0.32 -1.06 0.00 0.00 176.35 175.26 2bdi s MET 104 N -2.57 0.37 -0.17 1.48 1.75 0.22 -2.00 119.30 118.39 2bdi s MET 104 Ca 0.12 0.64 -0.15 0.00 -1.25 0.00 0.00 55.69 55.06 2bdi s MET 104 Cb -0.06 0.04 -0.04 0.00 2.84 0.00 0.00 34.83 37.60 2bdi s MET 104 CO 0.05 -0.12 0.33 -0.51 -0.65 0.00 0.00 175.02 174.12 2bdi s LEU 105 N 0.94 4.22 -0.22 4.11 1.43 -0.66 -0.89 118.68 127.60 2bdi s LEU 105 Ca -0.06 0.52 -0.06 0.00 -1.03 0.00 0.00 54.13 53.51 2bdi s LEU 105 Cb -0.07 -2.43 -0.02 0.00 0.03 0.00 0.00 46.19 43.71 2bdi s LEU 105 CO -0.07 0.05 0.01 -0.63 0.23 0.00 0.00 176.35 175.94 2bdi s ILE 106 N 0.70 3.93 -0.26 -0.59 1.01 0.88 0.06 121.20 126.94 2bdi s ILE 106 Ca 0.18 -0.31 -0.19 0.00 0.00 0.00 0.00 60.65 60.33 2bdi s ILE 106 Cb -0.14 -2.80 -0.02 0.00 0.01 0.00 0.00 42.46 39.51 2bdi s ILE 106 CO 0.05 0.39 0.58 -0.75 0.00 0.00 0.00 174.94 175.22 2bdi s LYS 107 N 1.35 4.10 0.43 2.79 2.20 0.18 -0.38 119.74 130.40 2bdi s LYS 107 Ca 0.05 0.45 -0.23 0.00 -0.36 0.00 0.00 55.97 55.87 2bdi s LYS 107 Cb -0.15 -3.65 -0.08 0.00 -1.51 0.00 0.00 37.83 32.44 2bdi s LYS 107 CO 0.01 -0.38 1.09 -0.51 -0.36 0.00 0.00 175.35 175.20 2bdi s LEU 108 N 2.40 4.07 0.07 5.43 1.43 -0.52 -4.04 118.68 127.53 2bdi s LEU 108 Ca 0.24 2.12 -0.36 0.00 -1.03 0.00 0.00 54.13 55.10 2bdi s LEU 108 Cb -0.16 -4.24 -0.19 0.00 0.03 0.00 0.00 46.19 41.64 2bdi s LEU 108 CO 0.09 -0.66 1.54 0.44 0.23 0.00 0.00 176.35 177.99 2bdi h ASP 109 N 2.27 -1.23 -3.37 2.29 3.45 -1.35 -3.40 116.42 115.07 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 -0.26 0.00 -0.56 0.00 0.00 39.33 40.10 2bdi h ASP 109 CO 0.61 -0.73 -0.72 -0.70 -1.57 0.00 0.00 179.24 176.14 2bdi s GLU 110 N -5.82 3.45 0.27 3.56 2.12 -1.26 -5.09 118.70 115.93 2bdi s GLU 110 Ca -0.18 -0.61 -0.29 0.00 0.36 0.00 0.00 54.97 54.24 2bdi s GLU 110 Cb 0.03 -2.93 -0.14 0.00 0.26 0.00 0.00 34.13 31.35 2bdi s GLU 110 CO 0.58 -0.03 1.16 0.45 -0.54 0.00 0.00 175.26 176.89 2bdi n SER 111 N 4.29 1.87 -4.95 -1.70 2.88 -1.26 -4.96 113.62 109.79 2bdi n SER 111 Ca -0.18 1.17 -0.23 0.00 -1.33 0.00 0.00 58.87 58.31 2bdi n SER 111 Cb 0.52 -1.34 -0.00 0.00 -0.75 0.00 0.00 64.21 62.63 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 -0.73 4.58 -0.32 2.46 -7.23 -0.62 -4.97 120.40 113.57 2bdi s VAL 112 Ca 0.62 -0.57 -0.10 0.00 -1.81 0.00 0.00 61.98 60.13 2bdi s VAL 112 Cb -0.69 -3.66 -0.00 0.00 0.56 0.00 0.00 36.38 32.58 2bdi s VAL 112 CO 0.57 -0.41 0.16 -0.44 -0.31 0.00 0.00 175.10 174.67 2bdi s SER 113 N -4.12 5.57 -0.69 4.85 0.01 -1.26 -4.81 113.70 113.26 2bdi s SER 113 Ca 0.43 -0.58 -0.30 0.00 1.31 0.00 0.00 55.95 56.82 2bdi s SER 113 Cb -0.10 -2.01 -0.14 0.00 0.21 0.00 0.00 66.02 63.98 2bdi s SER 113 CO 0.36 -0.22 2.50 -0.62 0.41 0.00 0.00 173.24 175.68 2bdi n GLU 114 N 4.98 0.57 -0.14 12.44 1.02 -1.26 -4.90 120.64 133.35 2bdi n GLU 114 Ca -0.14 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 2bdi n GLU 114 Cb 0.49 -2.41 0.00 0.00 -0.02 0.00 0.00 31.44 29.49 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 12.53 0.00 -0.08 1.62 3.41 -0.22 -4.93 113.62 125.96 2bdi n SER 115 Ca 0.51 -0.19 -0.15 0.00 -0.26 0.00 0.00 58.87 58.77 2bdi n SER 115 Cb 0.26 0.00 -0.05 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 0.97 -0.45 4.04 -0.00 -1.95 -3.19 116.42 115.84 2bdi h ASP 116 Ca 0.00 -0.54 0.00 0.00 -0.00 0.00 0.00 57.03 56.49 2bdi h ASP 116 Cb 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 39.33 39.05 2bdi h ASP 116 CO 0.00 1.33 0.00 0.35 -0.00 0.00 0.00 179.24 180.92 2bdi n THR 117 N -4.02 0.77 -3.60 2.25 -2.24 -1.26 -4.82 114.28 101.36 2bdi n THR 117 Ca -0.05 -0.88 -0.29 0.00 -2.27 0.00 0.00 64.05 60.56 2bdi n THR 117 Cb 0.63 0.70 -0.14 0.00 -2.10 0.00 0.00 70.33 69.42 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 -1.12 0.40 0.12 2.28 1.01 -1.21 -4.08 121.20 118.60 2bdi s ILE 118 Ca 0.34 -1.32 0.06 0.00 0.00 0.00 0.00 60.65 59.74 2bdi s ILE 118 Cb 0.19 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 2bdi s ILE 118 CO 0.25 -0.78 -0.14 -0.60 0.00 0.00 0.00 174.94 173.67 2bdi s ARG 119 N 1.58 1.03 0.46 2.79 3.52 -0.90 -1.05 118.95 126.38 2bdi s ARG 119 Ca 0.12 -1.24 -0.04 0.00 -0.13 0.00 0.00 55.73 54.45 2bdi s ARG 119 Cb -0.19 -0.93 -0.03 0.00 -1.56 0.00 0.00 34.95 32.24 2bdi s ARG 119 CO -0.22 0.18 0.74 -1.54 -0.81 0.00 0.00 175.30 173.65 2bdi s SER 120 N -2.43 6.17 0.18 -2.12 1.04 -1.26 -2.48 113.70 112.80 2bdi s SER 120 Ca 0.09 0.75 0.08 0.00 0.48 0.00 0.00 55.95 57.36 2bdi s SER 120 Cb -0.05 -2.09 -0.04 0.00 0.10 0.00 0.00 66.02 63.93 2bdi s SER 120 CO 0.03 -0.57 -0.17 -0.51 0.98 0.00 0.00 173.24 173.00 2bdi s ILE 121 N -2.66 1.81 0.13 -1.02 2.07 -0.69 -4.90 121.20 115.94 2bdi s ILE 121 Ca 0.46 -2.04 0.02 0.00 -1.41 0.00 0.00 60.65 57.68 2bdi s ILE 121 Cb -0.10 -1.93 -0.04 0.00 0.13 0.00 0.00 42.46 40.52 2bdi s ILE 121 CO 0.42 -0.42 0.23 -0.94 -1.91 0.00 0.00 174.94 172.32 2bdi s SER 122 N -2.94 6.17 -0.06 4.50 1.04 -1.26 -4.48 113.70 116.67 2bdi s SER 122 Ca 0.19 0.14 -0.22 0.00 0.48 0.00 0.00 55.95 56.53 2bdi s SER 122 Cb -0.04 -1.82 -0.04 0.00 0.10 0.00 0.00 66.02 64.22 2bdi s SER 122 CO 0.07 0.09 0.64 -0.63 0.98 0.00 0.00 173.24 174.39 2bdi s ILE 123 N -1.67 5.04 0.29 -1.02 1.01 -1.26 -0.53 121.20 123.07 2bdi s ILE 123 Ca 0.34 1.32 -0.30 0.00 0.00 0.00 0.00 60.65 62.01 2bdi s ILE 123 Cb -0.11 -3.98 -0.13 0.00 0.01 0.00 0.00 42.46 38.25 2bdi s ILE 123 CO 0.27 0.30 1.37 0.00 0.00 0.00 0.00 174.94 176.88 2bdi n ALA 124 N 3.54 1.34 0.46 9.38 0.00 0.35 -4.81 120.51 130.78 2bdi n ALA 124 Ca -0.03 0.38 0.10 0.00 0.00 0.00 0.00 53.44 53.89 2bdi n ALA 124 Cb 0.51 -2.28 -0.14 0.00 0.00 0.00 0.00 19.45 17.53 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 1.52 0.51 -4.89 0.00 3.41 -1.26 -4.08 113.62 108.82 2bdi n SER 125 Ca 0.08 -0.47 -0.32 0.00 -0.26 0.00 0.00 58.87 57.90 2bdi n SER 125 Cb 0.34 1.52 -0.05 0.00 -0.26 0.00 0.00 64.21 65.76 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 -3.25 3.66 0.50 4.33 0.74 -1.26 -4.87 119.66 119.52 2bdi s GLN 127 Ca -0.00 -0.00 -0.20 0.00 0.05 0.00 0.00 55.36 55.21 2bdi s GLN 127 Cb 0.15 -2.86 -0.08 0.00 1.10 0.00 0.00 33.01 31.32 2bdi s GLN 127 CO 0.88 0.47 1.05 0.00 -0.55 0.00 0.00 175.29 177.14 2bdi n PRO 129 N -1.13 0.64 -4.76 0.00 -0.02 -1.26 -4.95 135.00 123.52 2bdi n PRO 129 Ca 0.09 0.22 -0.33 0.00 -2.02 0.00 0.00 63.50 61.47 2bdi n PRO 129 Cb 0.52 -1.41 -0.14 0.00 -0.02 0.00 0.00 33.50 32.45 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 -1.10 3.18 0.26 3.45 -4.23 -1.26 -5.07 115.64 110.87 2bdi s THR 130 Ca 0.61 -0.64 -0.30 0.00 -1.18 0.00 0.00 61.69 60.19 2bdi s THR 130 Cb -0.79 -2.31 -0.13 0.00 1.34 0.00 0.00 72.50 70.60 2bdi s THR 130 CO 0.58 0.54 1.30 0.00 -0.54 0.00 0.00 174.62 176.51 2bdi n ALA 132 N 3.12 0.77 0.00 3.99 0.00 -1.26 -2.14 120.51 124.99 2bdi n ALA 132 Ca -0.18 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2bdi n ALA 132 Cb 0.53 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.77 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 1.72 2.83 3.72 0.00 0.00 0.22 -4.91 105.19 108.78 2bdi n GLY 133 Ca 0.10 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 0.41 3.52 -4.72 1.61 2.85 -0.91 -4.48 115.26 113.53 2bdi n ASN 134 Ca 0.00 1.15 -0.36 0.00 -0.11 0.00 0.00 54.58 55.27 2bdi n ASN 134 Cb 0.00 -1.55 -0.08 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 0.38 6.29 0.28 1.20 0.15 -1.26 -0.42 113.70 120.33 2bdi s SER 135 Ca 0.64 0.33 0.01 0.00 0.70 0.00 0.00 55.95 57.64 2bdi s SER 135 Cb -0.54 -2.13 -0.01 0.00 -1.71 0.00 0.00 66.02 61.64 2bdi s SER 135 CO 0.50 0.14 0.05 0.00 1.20 0.00 0.00 173.24 175.13 2bdi s LEU 137 N 0.00 2.23 0.04 0.00 2.96 -0.45 -1.40 118.68 122.05 2bdi s LEU 137 Ca 0.07 -0.54 0.02 0.00 -0.22 0.00 0.00 54.13 53.47 2bdi s LEU 137 Cb 0.00 -0.53 -0.02 0.00 0.50 0.00 0.00 46.19 46.14 2bdi s LEU 137 CO 0.05 -0.03 -0.08 0.54 -1.32 0.00 0.00 176.35 175.51 2bdi s VAL 138 N -1.08 0.58 0.04 1.68 0.11 -0.61 -0.11 120.40 121.01 2bdi s VAL 138 Ca -0.01 -0.99 -0.04 0.00 -2.93 0.00 0.00 61.98 58.01 2bdi s VAL 138 Cb -0.09 -0.62 -0.02 0.00 -1.53 0.00 0.00 36.38 34.12 2bdi s VAL 138 CO 0.02 -0.30 0.06 -0.94 -3.33 0.00 0.00 175.10 170.61 2bdi s SER 139 N -1.40 0.25 0.00 3.54 1.04 -1.22 -1.41 113.70 114.50 2bdi s SER 139 Ca -0.08 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.70 2bdi s SER 139 Cb -0.09 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.25 2bdi s SER 139 CO 0.00 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.30 2bdi n GLY 140 N 0.61 0.61 1.53 7.32 0.00 -0.56 -4.24 105.19 110.46 2bdi n GLY 140 Ca -0.18 -1.03 0.04 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.52 1.73 -1.15 1.61 8.01 -1.26 -1.88 117.44 123.97 2bdi n TRP 141 Ca 0.00 -0.94 -0.30 0.00 -1.31 0.00 0.00 57.50 54.95 2bdi n TRP 141 Cb 0.00 -0.49 0.23 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 -1.35 1.59 0.50 6.99 0.00 -1.22 -4.32 107.32 109.52 2bdi s GLY 142 Ca 0.50 -0.88 -0.21 0.00 0.00 0.00 0.00 44.72 44.13 2bdi s GLY 142 CO 0.12 -0.05 0.81 1.04 0.00 0.00 0.00 173.10 175.02 2bdi n LEU 143 N -4.61 2.03 -5.01 0.66 4.32 0.13 -3.14 117.00 111.37 2bdi n LEU 143 Ca 0.12 0.88 -0.19 0.00 -0.02 0.00 0.00 56.01 56.81 2bdi n LEU 143 Cb 0.59 -1.28 0.03 0.00 -1.62 0.00 0.00 43.42 41.15 2bdi n LEU 143 CO 0.47 -2.18 0.27 -0.76 -1.22 0.00 0.00 177.39 173.97 2bdi s LEU 144 N -0.24 3.40 0.58 2.23 1.43 0.11 -1.50 118.68 124.69 2bdi s LEU 144 Ca 0.68 -0.45 0.29 0.00 -1.03 0.00 0.00 54.13 53.62 2bdi s LEU 144 Cb -0.50 -2.39 1.46 0.00 0.03 0.00 0.00 46.19 44.79 2bdi s LEU 144 CO 0.54 -1.05 1.89 0.00 0.23 0.00 0.00 176.35 177.95 2bdi h ALA 145 N 0.34 2.34 -0.24 4.21 0.00 -1.87 0.62 119.26 124.67 2bdi h ALA 145 Ca -0.38 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2bdi h ALA 145 Cb 1.28 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2bdi h ALA 145 CO 0.45 -0.81 0.00 0.27 0.00 0.00 0.00 179.25 179.16 2bdi n ASN 146 N -3.84 1.57 -0.67 0.00 0.23 -1.26 -4.88 115.26 106.41 2bdi n ASN 146 Ca 0.11 -1.85 -0.09 0.00 -0.53 0.00 0.00 54.58 52.22 2bdi n ASN 146 Cb 0.74 -0.16 -0.04 0.00 -2.08 0.00 0.00 39.78 38.25 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 1.05 3.54 4.83 0.00 0.22 -5.00 105.19 110.86 2bdi n GLY 147 Ca 0.13 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.65 1.96 0.12 1.61 3.00 -1.25 -4.75 118.95 116.98 2bdi s ARG 150 Ca 0.00 -1.16 -0.28 0.00 -1.00 0.00 0.00 55.73 53.29 2bdi s ARG 150 Cb 0.00 -2.18 -0.06 0.00 0.00 0.00 0.00 34.95 32.71 2bdi s ARG 150 CO 0.00 0.47 0.88 -1.64 0.00 0.00 0.00 175.30 175.01 2bdi s MET 151 N -2.36 4.65 0.73 5.12 -1.94 -1.26 0.09 119.30 124.33 2bdi s MET 151 Ca 0.21 1.31 -0.11 0.00 -1.71 0.00 0.00 55.69 55.38 2bdi s MET 151 Cb -0.10 -3.35 0.03 0.00 2.01 0.00 0.00 34.83 33.42 2bdi s MET 151 CO 0.13 0.32 1.09 -1.25 -0.01 0.00 0.00 175.02 175.30 2bdi s PRO 152 N -0.32 2.63 0.01 2.03 0.04 -1.26 -4.95 135.00 133.18 2bdi s PRO 152 Ca 0.42 0.59 0.16 0.00 0.04 0.00 0.00 61.00 62.21 2bdi s PRO 152 Cb -0.23 -1.98 -0.18 0.00 0.04 0.00 0.00 34.50 32.15 2bdi s PRO 152 CO 0.28 -1.22 0.71 0.25 0.04 0.00 0.00 177.00 177.06 2bdi n THR 153 N -3.16 1.28 -4.40 1.26 -2.24 -1.26 -4.96 114.28 100.80 2bdi n THR 153 Ca 0.07 -0.73 -0.20 0.00 -2.27 0.00 0.00 64.05 60.92 2bdi n THR 153 Cb 0.56 -0.78 -0.10 0.00 -2.10 0.00 0.00 70.33 67.91 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 -2.82 1.39 0.23 2.28 -7.23 -1.26 -3.83 120.40 109.17 2bdi s VAL 154 Ca -0.04 -2.08 -0.31 0.00 -1.81 0.00 0.00 61.98 57.74 2bdi s VAL 154 Cb 0.08 -2.47 -0.12 0.00 0.56 0.00 0.00 36.38 34.44 2bdi s VAL 154 CO 0.82 -0.26 1.66 -0.22 -0.31 0.00 0.00 175.10 176.78 2bdi s LEU 155 N -3.41 4.36 0.19 1.32 2.96 -0.42 -4.85 118.68 118.83 2bdi s LEU 155 Ca 0.30 2.87 0.04 0.00 -0.22 0.00 0.00 54.13 57.12 2bdi s LEU 155 Cb 0.05 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 43.10 2bdi s LEU 155 CO 0.11 -0.93 0.32 -1.10 -1.32 0.00 0.00 176.35 173.43 2bdi s GLN 156 N 0.59 3.43 0.11 1.98 -1.52 -0.79 -1.73 119.66 121.74 2bdi s GLN 156 Ca 0.70 -0.67 0.02 0.00 -1.95 0.00 0.00 55.36 53.46 2bdi s GLN 156 Cb -0.48 -2.93 -0.04 0.00 -0.22 0.00 0.00 33.01 29.34 2bdi s GLN 156 CO 0.37 0.48 -0.07 0.00 -0.25 0.00 0.00 175.29 175.83 2bdi s VAL 158 N -3.57 0.00 -0.08 0.00 0.11 -0.50 -2.07 120.40 114.29 2bdi s VAL 158 Ca 0.14 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.19 2bdi s VAL 158 Cb 0.05 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.87 2bdi s VAL 158 CO -0.03 0.00 -0.05 0.20 -3.33 0.00 0.00 175.10 171.89 2bdi s ASN 159 N -2.00 4.76 0.02 3.54 -0.87 -1.26 -1.57 114.94 117.56 2bdi s ASN 159 Ca 0.06 -0.01 -0.04 0.00 -1.57 0.00 0.00 52.86 51.31 2bdi s ASN 159 Cb -0.01 -1.29 -0.01 0.00 -0.02 0.00 0.00 41.25 39.92 2bdi s ASN 159 CO -0.05 0.34 0.05 0.68 -2.57 0.00 0.00 177.10 175.55 2bdi s VAL 160 N -0.69 0.11 0.10 1.60 -7.23 -0.50 -4.88 120.40 108.92 2bdi s VAL 160 Ca 0.11 -0.91 0.03 0.00 -1.81 0.00 0.00 61.98 59.40 2bdi s VAL 160 Cb -0.11 -0.50 -0.04 0.00 0.56 0.00 0.00 36.38 36.29 2bdi s VAL 160 CO 0.02 -0.50 0.11 -0.44 -0.31 0.00 0.00 175.10 173.97 2bdi s SER 161 N -1.63 5.60 0.33 4.85 0.01 -1.26 -1.07 113.70 120.53 2bdi s SER 161 Ca -0.12 -0.01 -0.29 0.00 1.31 0.00 0.00 55.95 56.83 2bdi s SER 161 Cb -0.07 -1.52 -0.10 0.00 0.21 0.00 0.00 66.02 64.54 2bdi s SER 161 CO -0.01 0.15 1.39 -0.69 0.41 0.00 0.00 173.24 174.48 2bdi s VAL 162 N -1.49 2.50 0.12 3.43 1.01 0.44 0.00 120.40 126.43 2bdi s VAL 162 Ca 0.30 0.49 0.03 0.00 0.00 0.00 0.00 61.98 62.80 2bdi s VAL 162 Cb -0.12 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 2bdi s VAL 162 CO 0.23 0.11 0.17 -0.69 0.00 0.00 0.00 175.10 174.92 2bdi s VAL 163 N -0.89 4.87 0.61 2.92 1.01 0.95 -0.61 120.40 129.26 2bdi s VAL 163 Ca 0.52 -0.79 -0.18 0.00 0.00 0.00 0.00 61.98 61.53 2bdi s VAL 163 Cb -0.42 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 2bdi s VAL 163 CO 0.54 -0.01 1.21 -0.94 0.00 0.00 0.00 175.10 175.90 2bdi s SER 164 N -2.87 5.04 0.19 3.32 1.04 -1.26 -4.66 113.70 114.50 2bdi s SER 164 Ca 0.32 2.39 -0.11 0.00 0.48 0.00 0.00 55.95 59.03 2bdi s SER 164 Cb -0.11 -2.60 0.21 0.00 0.10 0.00 0.00 66.02 63.62 2bdi s SER 164 CO 0.25 -1.69 1.76 -0.08 0.98 0.00 0.00 173.24 174.46 2bdi h GLU 165 N 0.71 0.43 0.52 4.02 4.81 -1.98 -0.76 114.58 122.33 2bdi h GLU 165 Ca -0.50 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.69 2bdi h GLU 165 Cb 1.30 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 2bdi h GLU 165 CO 0.54 0.28 -0.49 1.49 -0.73 0.00 0.00 179.01 180.11 2bdi h GLU 166 N 0.44 -0.97 -0.98 1.92 4.81 -1.99 0.16 114.58 117.97 2bdi h GLU 166 Ca 0.26 0.07 0.13 0.00 -0.13 0.00 0.00 59.36 59.69 2bdi h GLU 166 Cb 0.26 0.22 -0.09 0.00 0.63 0.00 0.00 28.75 29.77 2bdi h GLU 166 CO -0.24 -0.64 0.60 0.28 -0.73 0.00 0.00 179.01 178.28 2bdi h VAL 167 N -1.00 0.88 -0.70 0.32 2.07 -1.81 -1.73 116.25 114.28 2bdi h VAL 167 Ca -0.06 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 67.07 2bdi h VAL 167 Cb 0.86 -0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 2bdi h VAL 167 CO -0.04 0.17 0.16 0.00 0.02 0.00 0.00 177.57 177.88 2bdi h SER 169 N 1.05 0.13 -0.00 0.00 4.64 -0.30 -2.58 113.55 116.49 2bdi h SER 169 Ca 0.22 -0.12 -0.14 0.00 -0.47 0.00 0.00 61.79 61.28 2bdi h SER 169 Cb 0.38 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 62.44 2bdi h SER 169 CO 0.00 0.96 -0.53 0.11 -0.87 0.00 0.00 176.83 176.50 2bdi h LYS 170 N 0.05 0.37 0.00 4.77 1.57 -1.21 0.28 116.57 122.39 2bdi h LYS 170 Ca -0.03 -0.39 -0.00 0.00 -1.87 0.00 0.00 60.65 58.35 2bdi h LYS 170 Cb 1.56 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.98 2bdi h LYS 170 CO 0.13 1.07 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.99 2bdi h LEU 171 N -0.17 0.00 -2.29 2.94 3.38 -0.69 -2.96 115.31 115.52 2bdi h LEU 171 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2bdi h LEU 171 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2bdi h LEU 171 CO 0.11 0.02 0.00 -1.22 0.09 0.00 0.00 178.44 177.43 2bdi n TYR 172 N -3.49 0.00 -1.69 1.13 4.01 -0.97 -5.02 117.16 111.13 2bdi n TYR 172 Ca -0.03 -0.33 -0.43 0.00 -0.16 0.00 0.00 57.90 56.95 2bdi n TYR 172 Cb 0.11 -0.03 -0.01 0.00 -0.31 0.00 0.00 39.34 39.10 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 -0.33 2.73 -1.29 7.72 -0.08 0.08 -0.73 116.55 124.65 2bdi n ASP 173 Ca 0.00 1.20 0.11 0.00 -1.51 0.00 0.00 54.79 54.59 2bdi n ASP 173 Cb 0.26 -1.47 0.31 0.00 2.34 0.00 0.00 41.12 42.55 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 0.76 2.63 0.07 -0.67 -0.04 -1.26 -4.83 135.00 131.66 2bdi n PRO 174 Ca 0.06 -2.50 0.12 0.00 -0.04 0.00 0.00 63.50 61.14 2bdi n PRO 174 Cb 0.35 -1.55 0.46 0.00 -0.04 0.00 0.00 33.50 32.73 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 1.52 0.50 -4.76 1.53 4.77 0.09 -4.88 117.00 115.76 2bdi n LEU 175 Ca 0.23 0.57 -0.40 0.00 -0.03 0.00 0.00 56.01 56.38 2bdi n LEU 175 Cb 0.59 -0.44 -0.04 0.00 -2.33 0.00 0.00 43.42 41.20 2bdi n LEU 175 CO 0.16 -0.24 0.83 -0.47 -1.33 0.00 0.00 177.39 176.35 2bdi s TYR 176 N -3.12 3.46 0.11 -1.77 6.14 -0.48 -4.88 117.35 116.80 2bdi s TYR 176 Ca 0.09 1.64 0.02 0.00 0.64 0.00 0.00 57.07 59.46 2bdi s TYR 176 Cb 0.13 -3.37 -0.04 0.00 0.42 0.00 0.00 41.96 39.09 2bdi s TYR 176 CO 0.49 -0.84 -0.07 -1.58 0.64 0.00 0.00 175.55 174.20 2bdi s HIS 177 N -1.16 0.94 -1.45 4.97 2.46 -1.26 -4.94 115.29 114.85 2bdi s HIS 177 Ca 0.46 -0.91 0.04 0.00 0.47 0.00 0.00 55.06 55.12 2bdi s HIS 177 Cb -0.34 -0.54 0.22 0.00 -0.13 0.00 0.00 32.58 31.80 2bdi s HIS 177 CO 0.44 -0.13 0.96 -2.30 -2.47 0.00 0.00 174.74 171.24 2bdi n PRO 178 N -0.07 0.07 -0.80 2.88 -0.02 -1.26 -1.25 135.00 134.55 2bdi n PRO 178 Ca -0.12 0.24 -0.00 0.00 -2.02 0.00 0.00 63.50 61.60 2bdi n PRO 178 Cb 0.61 -1.50 0.29 0.00 -0.02 0.00 0.00 33.50 32.88 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 -1.28 4.58 -3.90 2.55 3.41 -1.26 -4.79 113.62 112.93 2bdi n SER 179 Ca 0.02 -2.89 -0.09 0.00 -0.26 0.00 0.00 58.87 55.65 2bdi n SER 179 Cb 0.03 -0.68 -0.07 0.00 -0.26 0.00 0.00 64.21 63.23 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 -2.49 1.08 -0.11 4.33 0.23 -0.38 -1.21 119.30 120.75 2bdi s MET 180 Ca 0.45 -1.07 -0.23 0.00 -1.03 0.00 0.00 55.69 53.80 2bdi s MET 180 Cb 0.35 0.38 0.05 0.00 -1.53 0.00 0.00 34.83 34.09 2bdi s MET 180 CO 0.12 -0.39 0.56 -0.59 -2.03 0.00 0.00 175.02 172.69 2bdi s PHE 181 N -3.92 -0.55 0.32 3.16 -0.12 -0.18 -4.71 117.98 111.99 2bdi s PHE 181 Ca 0.13 1.11 -0.26 0.00 -0.05 0.00 0.00 56.93 57.85 2bdi s PHE 181 Cb 0.03 0.27 -0.10 0.00 -0.63 0.00 0.00 43.02 42.59 2bdi s PHE 181 CO -0.04 -0.44 0.95 0.00 -0.05 0.00 0.00 175.22 175.64 2bdi s ALA 183 N -1.57 -1.13 0.00 0.00 0.00 -0.94 -0.04 121.76 118.09 2bdi s ALA 183 Ca 0.50 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.78 2bdi s ALA 183 Cb -0.20 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.15 2bdi s ALA 183 CO 0.25 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.20 2bdi n GLY 184 N 3.00 0.26 1.95 0.00 0.00 0.10 -2.65 105.19 107.85 2bdi n GLY 184 Ca -0.14 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 0.54 3.83 -0.02 0.00 -1.26 -4.49 105.19 103.79 2bdi n GLY 185 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 1.66 0.48 -0.02 0.00 -1.26 0.06 107.32 106.23 2bdi s GLY 186 Ca 0.00 -0.86 0.25 0.00 0.00 0.00 0.00 44.72 44.10 2bdi s GLY 186 CO 0.00 -0.19 1.96 -1.61 0.00 0.00 0.00 173.10 173.26 2bdi h GLN 186 N -1.63 0.00 0.00 2.90 5.75 -1.95 -2.42 115.11 117.76 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 1.29 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.84 2bdi h GLN 186 CO 0.50 0.19 0.00 -0.40 -2.65 0.00 0.00 178.83 176.46 2bdi n ASP 186 N -3.60 0.00 -3.87 -0.69 3.85 -1.26 -4.83 116.55 106.15 2bdi n ASP 186 Ca -0.01 -0.64 -0.30 0.00 -0.71 0.00 0.00 54.79 53.13 2bdi n ASP 186 Cb 0.32 0.00 0.01 0.00 -1.35 0.00 0.00 41.12 40.11 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 -0.96 -4.84 -3.49 0.11 6.02 -0.91 -4.96 117.38 108.35 2bdi n GLN 187 Ca 0.13 0.56 -0.37 0.00 -0.01 0.00 0.00 57.00 57.31 2bdi n GLN 187 Cb 0.06 -5.40 -0.07 0.00 1.02 0.00 0.00 30.24 25.85 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 -6.57 4.26 0.11 -1.09 1.02 -1.26 -4.44 119.74 111.77 2bdi s LYS 188 Ca 0.64 0.17 -0.26 0.00 0.02 0.00 0.00 55.97 56.54 2bdi s LYS 188 Cb -0.33 -3.42 0.08 0.00 -0.52 0.00 0.00 37.83 33.64 2bdi s LYS 188 CO 0.79 0.23 1.08 0.34 -0.92 0.00 0.00 175.35 176.87 2bdi s ASP 189 N 0.46 -0.11 0.84 2.83 2.15 -0.93 -4.18 116.67 117.73 2bdi s ASP 189 Ca 0.19 -0.37 -0.08 0.00 0.43 0.00 0.00 52.55 52.71 2bdi s ASP 189 Cb -0.13 0.39 0.16 0.00 -0.30 0.00 0.00 42.92 43.03 2bdi s ASP 189 CO 0.05 -0.73 1.16 -0.44 -0.17 0.00 0.00 175.17 175.04 2bdi s SER 190 N -3.06 3.77 0.37 -0.34 0.01 -1.26 0.57 113.70 113.76 2bdi s SER 190 Ca 0.15 -0.02 -0.11 0.00 1.31 0.00 0.00 55.95 57.28 2bdi s SER 190 Cb 0.00 -0.21 0.03 0.00 0.21 0.00 0.00 66.02 66.06 2bdi s SER 190 CO 0.01 -2.27 0.67 0.00 0.41 0.00 0.00 173.24 172.06 2bdi n ASN 192 N -1.40 1.52 0.00 0.00 4.13 -1.26 -1.12 115.26 117.12 2bdi n ASN 192 Ca -0.05 1.12 0.00 0.00 1.68 0.00 0.00 54.58 57.34 2bdi n ASN 192 Cb 0.60 -1.18 0.00 0.00 -1.54 0.00 0.00 39.78 37.67 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 2.42 0.28 0.56 7.41 0.00 -1.26 0.18 105.19 114.78 2bdi n GLY 193 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.28 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 2.13 -4.59 1.61 8.00 -0.27 -3.46 116.55 119.96 2bdi n ASP 194 Ca 0.00 -1.57 -0.44 0.00 0.71 0.00 0.00 54.79 53.50 2bdi n ASP 194 Cb 0.00 0.14 -0.01 0.00 -0.02 0.00 0.00 41.12 41.23 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 0.60 1.32 0.00 -2.24 7.64 -1.26 0.03 113.62 119.71 2bdi n SER 195 Ca 0.09 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.12 2bdi n SER 195 Cb 0.39 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 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 1.20 1.91 3.69 0.23 0.00 0.25 -1.78 105.19 110.69 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 0.27 -0.02 0.00 0.10 -3.60 107.32 103.71 2bdi s GLY 197 Ca 0.00 0.13 -0.20 0.00 0.00 0.00 0.00 44.72 44.65 2bdi s GLY 197 CO 0.00 0.61 0.78 2.56 0.00 0.00 0.00 173.10 177.05 2bdi s PRO 198 N -4.80 4.27 -0.29 2.90 0.04 -1.26 -0.59 135.00 135.27 2bdi s PRO 198 Ca 0.64 0.94 0.02 0.00 0.04 0.00 0.00 61.00 62.64 2bdi s PRO 198 Cb -0.20 -2.74 0.08 0.00 0.04 0.00 0.00 34.50 31.68 2bdi s PRO 198 CO 0.58 0.30 0.00 -1.17 0.04 0.00 0.00 177.00 176.76 2bdi s LEU 199 N -2.25 3.33 -0.08 -3.56 2.96 -0.06 -3.44 118.68 115.59 2bdi s LEU 199 Ca 0.48 -1.62 -0.15 0.00 -0.22 0.00 0.00 54.13 52.62 2bdi s LEU 199 Cb -0.15 -1.31 -0.05 0.00 0.50 0.00 0.00 46.19 45.18 2bdi s LEU 199 CO 0.20 -0.31 0.38 -0.63 -1.32 0.00 0.00 176.35 174.67 2bdi s ILE 200 N 1.24 5.17 -0.28 6.68 -1.09 0.84 0.21 121.20 133.97 2bdi s ILE 200 Ca 0.02 0.75 -0.03 0.00 -2.23 0.00 0.00 60.65 59.17 2bdi s ILE 200 Cb -0.19 -3.70 0.09 0.00 -1.58 0.00 0.00 42.46 37.09 2bdi s ILE 200 CO -0.10 0.47 0.11 0.00 -1.23 0.00 0.00 174.94 174.19 2bdi n ASN 202 N 5.08 -2.31 0.00 0.00 5.03 -1.26 -3.54 115.26 118.25 2bdi n ASN 202 Ca -0.05 -0.27 0.00 0.00 0.87 0.00 0.00 54.58 55.13 2bdi n ASN 202 Cb 0.43 -2.57 0.00 0.00 -1.02 0.00 0.00 39.78 36.62 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 -1.08 0.18 3.60 7.41 0.00 -1.26 -5.00 105.19 109.05 2bdi n GLY 203 Ca -0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 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 2.70 -0.48 1.61 1.51 -1.23 -4.74 117.35 115.32 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 -1.32 0.02 0.00 -0.11 0.00 0.00 41.96 40.55 2bdi s TYR 208 CO 0.00 0.51 1.22 -1.17 -1.11 0.00 0.00 175.55 175.00 2bdi s LEU 209 N -2.84 3.59 -0.18 -1.29 2.96 0.31 -0.55 118.68 120.68 2bdi s LEU 209 Ca 0.26 0.51 -0.02 0.00 -0.22 0.00 0.00 54.13 54.65 2bdi s LEU 209 Cb -0.09 -3.49 -0.22 0.00 0.50 0.00 0.00 46.19 42.89 2bdi s LEU 209 CO 0.16 -1.34 0.10 1.67 -1.32 0.00 0.00 176.35 175.62 2bdi n GLN 210 N 8.00 0.71 -3.90 1.98 -0.06 0.13 -0.50 117.38 123.74 2bdi n GLN 210 Ca 0.13 0.21 -0.10 0.00 -2.00 0.00 0.00 57.00 55.23 2bdi n GLN 210 Cb 0.49 -1.62 -0.00 0.00 -4.06 0.00 0.00 30.24 25.04 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 -5.99 0.62 0.01 1.69 0.00 -0.86 -3.04 107.32 99.74 2bdi s GLY 211 Ca -0.27 -0.91 0.08 0.00 0.00 0.00 0.00 44.72 43.62 2bdi s GLY 211 CO 0.70 -0.49 -0.25 1.08 0.00 0.00 0.00 173.10 174.14 2bdi s LEU 212 N -3.09 2.09 -0.15 0.66 1.43 -1.21 -0.88 118.68 117.53 2bdi s LEU 212 Ca 0.19 -0.49 -0.29 0.00 -1.03 0.00 0.00 54.13 52.51 2bdi s LEU 212 Cb -0.04 -1.24 -0.06 0.00 0.03 0.00 0.00 46.19 44.88 2bdi s LEU 212 CO 0.13 0.28 2.15 -0.69 0.23 0.00 0.00 176.35 178.44 2bdi s VAL 213 N -0.66 3.02 0.00 -1.59 1.01 0.24 -0.78 120.40 121.64 2bdi s VAL 213 Ca 0.10 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.10 2bdi s VAL 213 Cb -0.10 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.27 2bdi s VAL 213 CO 0.00 -0.01 0.00 -0.24 0.00 0.00 0.00 175.10 174.85 2bdi n SER 214 N 10.56 0.00 -2.67 3.32 2.88 -0.97 0.88 113.62 127.63 2bdi n SER 214 Ca 0.27 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.72 2bdi n SER 214 Cb 0.44 -0.25 0.01 0.00 -0.75 0.00 0.00 64.21 63.66 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 -2.21 -2.00 0.00 0.66 1.16 -1.08 -4.88 117.46 109.11 2bdi n PHE 215 Ca 0.00 -1.81 0.00 0.00 -1.87 0.00 0.00 57.45 53.77 2bdi n PHE 215 Cb 0.00 0.75 0.00 0.00 -1.61 0.00 0.00 39.48 38.62 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 -0.50 0.81 3.67 4.97 0.00 -1.26 0.13 105.19 113.01 2bdi n GLY 216 Ca -0.06 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 2bdi n GLY 216 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2bdi n LYS 217 N -0.14 -0.20 -4.37 1.61 5.02 -1.26 -5.01 118.16 113.81 2bdi n LYS 217 Ca 0.00 0.02 -0.25 0.00 -2.02 0.00 0.00 58.31 56.05 2bdi n LYS 217 Cb 0.00 -2.38 -0.13 0.00 -0.02 0.00 0.00 35.03 32.50 2bdi n LYS 217 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bdi s ALA 218 N -2.42 1.91 1.00 7.82 0.00 -1.26 -3.95 121.76 124.86 2bdi s ALA 218 Ca 0.69 -1.26 -0.12 0.00 0.00 0.00 0.00 51.96 51.27 2bdi s ALA 218 Cb -0.25 -0.29 0.19 0.00 0.00 0.00 0.00 23.12 22.77 2bdi s ALA 218 CO 0.55 0.40 1.08 -1.25 0.00 0.00 0.00 175.76 176.55 2bdi s PRO 219 N -1.80 0.42 0.70 0.00 0.04 -1.26 -5.11 135.00 127.98 2bdi s PRO 219 Ca 0.08 0.66 -0.11 0.00 0.04 0.00 0.00 61.00 61.67 2bdi s PRO 219 Cb -0.10 -1.72 0.01 0.00 0.04 0.00 0.00 34.50 32.73 2bdi s PRO 219 CO 0.04 -2.77 1.07 0.00 0.04 0.00 0.00 177.00 175.37 2bdi n GLY 220 N -2.46 0.27 3.77 0.00 0.00 -1.26 -5.03 105.19 100.48 2bdi n GLY 220 Ca 0.07 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 45.16 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 -4.02 4.61 0.20 1.61 -0.21 -1.26 -4.58 119.66 116.01 2bdi s GLN 221 Ca 0.00 1.25 -0.31 0.00 0.02 0.00 0.00 55.36 56.32 2bdi s GLN 221 Cb 0.00 -3.13 -0.10 0.00 1.00 0.00 0.00 33.01 30.79 2bdi s GLN 221 CO 0.00 0.48 1.48 0.08 -2.12 0.00 0.00 175.29 175.20 2bdi s VAL 222 N -1.30 2.74 0.00 1.09 1.01 -1.26 -1.83 120.40 120.85 2bdi s VAL 222 Ca 0.41 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.96 2bdi s VAL 222 Cb -0.22 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.79 2bdi s VAL 222 CO 0.27 0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.05 2bdi n GLY 223 N 2.93 0.78 2.82 4.51 0.00 0.11 -4.95 105.19 111.38 2bdi n GLY 223 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.09 1.80 0.87 1.61 1.01 -0.76 -5.02 120.40 116.81 2bdi s VAL 224 Ca 0.00 -2.66 -0.11 0.00 0.00 0.00 0.00 61.98 59.20 2bdi s VAL 224 Cb 0.00 -2.27 0.11 0.00 0.00 0.00 0.00 36.38 34.22 2bdi s VAL 224 CO 0.00 -0.82 1.09 -2.16 0.00 0.00 0.00 175.10 173.22 2bdi s PRO 225 N 0.32 1.48 0.44 2.72 0.04 -1.26 -4.26 135.00 134.49 2bdi s PRO 225 Ca 0.16 0.79 -0.03 0.00 0.04 0.00 0.00 61.00 61.96 2bdi s PRO 225 Cb -0.24 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 2bdi s PRO 225 CO -0.03 -2.08 0.69 0.20 0.04 0.00 0.00 177.00 175.83 2bdi s GLY 226 N -3.54 1.45 -0.09 0.56 0.00 -1.08 -4.65 107.32 99.97 2bdi s GLY 226 Ca 0.63 -0.72 -0.03 0.00 0.00 0.00 0.00 44.72 44.59 2bdi s GLY 226 CO 0.56 -0.59 0.06 0.14 0.00 0.00 0.00 173.10 173.27 2bdi s VAL 227 N -2.58 4.76 0.02 1.40 1.01 0.12 -2.20 120.40 122.93 2bdi s VAL 227 Ca 0.45 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.34 2bdi s VAL 227 Cb -0.10 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 2bdi s VAL 227 CO 0.41 0.58 -0.09 -0.31 0.00 0.00 0.00 175.10 175.69 2bdi s TYR 228 N -0.97 0.75 0.17 5.22 1.51 0.55 -2.29 117.35 122.30 2bdi s TYR 228 Ca 0.15 -0.31 -0.31 0.00 -1.01 0.00 0.00 57.07 55.59 2bdi s TYR 228 Cb -0.12 -0.46 -0.10 0.00 -0.11 0.00 0.00 41.96 41.18 2bdi s TYR 228 CO 0.04 -0.03 1.55 0.99 -1.11 0.00 0.00 175.55 177.00 2bdi s THR 229 N -0.77 2.63 -1.27 -0.71 2.01 0.04 -1.01 115.64 116.56 2bdi s THR 229 Ca -0.02 0.46 -0.16 0.00 0.31 0.00 0.00 61.69 62.27 2bdi s THR 229 Cb -0.06 -3.29 0.11 0.00 0.01 0.00 0.00 72.50 69.26 2bdi s THR 229 CO 0.00 0.04 1.65 -3.20 -0.69 0.00 0.00 174.62 172.43 2bdi n ASN 230 N 3.78 5.01 -0.17 3.53 5.15 -0.35 -3.30 115.26 128.90 2bdi n ASN 230 Ca 0.13 -2.94 0.22 0.00 -0.60 0.00 0.00 54.58 51.39 2bdi n ASN 230 Cb 0.39 -1.68 0.61 0.00 -0.53 0.00 0.00 39.78 38.57 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 11.39 0.20 0.00 1.20 3.38 -1.86 0.02 115.31 129.64 2bdi h LEU 231 Ca 0.41 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.40 2bdi h LEU 231 Cb 0.86 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2bdi h LEU 231 CO 1.40 0.09 0.00 0.00 0.09 0.00 0.00 178.44 180.02 2bdi n LYS 233 N -0.92 0.76 -0.26 0.00 4.76 -0.01 -4.64 118.16 117.85 2bdi n LYS 233 Ca 0.05 -0.07 0.08 0.00 -2.87 0.00 0.00 58.31 55.50 2bdi n LYS 233 Cb 0.02 -1.41 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 0.08 0.34 2.13 3.72 -0.04 -4.81 117.46 117.16 2bdi n PHE 234 Ca 0.01 -1.15 -0.18 0.00 -0.05 0.00 0.00 57.45 56.08 2bdi n PHE 234 Cb 0.37 -0.20 -0.09 0.00 -0.94 0.00 0.00 39.48 38.63 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 0.40 0.20 -0.66 4.37 1.35 -1.82 0.30 112.91 117.04 2bdi h THR 235 Ca 0.01 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 66.01 2bdi h THR 235 Cb 1.04 0.20 -0.11 0.00 -1.73 0.00 0.00 68.15 67.55 2bdi h THR 235 CO 0.02 0.00 -0.02 -0.08 -0.25 0.00 0.00 175.52 175.19 2bdi h GLU 236 N -0.95 0.09 -0.03 4.72 4.81 -1.94 0.16 114.58 121.44 2bdi h GLU 236 Ca -0.07 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2bdi h GLU 236 Cb 0.78 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.14 2bdi h GLU 236 CO 0.06 0.06 0.01 2.35 -0.73 0.00 0.00 179.01 180.76 2bdi h TRP 237 N 0.10 0.04 -0.82 0.92 7.01 -1.83 -0.54 115.95 120.83 2bdi h TRP 237 Ca 0.35 -0.00 0.13 0.00 2.11 0.00 0.00 58.89 61.47 2bdi h TRP 237 Cb 0.57 -0.01 -0.06 0.00 -2.10 0.00 0.00 29.16 27.56 2bdi h TRP 237 CO -0.40 0.13 0.54 0.82 -2.79 0.00 0.00 178.44 176.73 2bdi h ILE 238 N -0.06 0.86 0.32 2.65 2.04 0.68 -2.22 117.51 121.77 2bdi h ILE 238 Ca 0.01 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 2bdi h ILE 238 Cb 0.10 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 2bdi h ILE 238 CO -0.00 0.11 -0.15 -0.08 0.00 0.00 0.00 178.15 178.03 2bdi h GLU 239 N 0.62 -0.41 -0.49 2.37 4.57 -0.14 -1.81 114.58 119.29 2bdi h GLU 239 Ca 0.40 0.03 0.14 0.00 -1.18 0.00 0.00 59.36 58.75 2bdi h GLU 239 Cb 0.68 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.34 2bdi h GLU 239 CO -0.16 -0.27 0.72 -0.22 -1.18 0.00 0.00 179.01 177.90 2bdi h LYS 240 N -0.91 0.00 0.00 1.92 3.64 -1.01 -0.21 116.57 120.00 2bdi h LYS 240 Ca -0.04 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 2bdi h LYS 240 Cb 0.32 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2bdi h LYS 240 CO 0.07 0.00 -0.45 1.15 -2.27 0.00 0.00 179.45 177.96 2bdi h THR 241 N 0.00 0.32 -0.62 1.00 2.02 -1.38 -3.15 112.91 111.10 2bdi h THR 241 Ca 0.23 -1.33 0.07 0.00 0.77 0.00 0.00 66.41 66.15 2bdi h THR 241 Cb 1.67 0.70 -0.06 0.00 -1.74 0.00 0.00 68.15 68.72 2bdi h THR 241 CO -0.00 0.11 0.31 0.58 0.37 0.00 0.00 175.52 176.89 2bdi h VAL 242 N -1.00 0.91 0.00 3.16 2.07 -0.41 -3.36 116.25 117.62 2bdi h VAL 242 Ca -0.06 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2bdi h VAL 242 Cb 0.55 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2bdi h VAL 242 CO -0.04 0.10 0.00 1.67 0.02 0.00 0.00 177.57 179.33 2bdi n GLN 243 N -4.86 0.00 0.00 1.57 -0.06 -0.18 -5.10 117.38 108.75 2bdi n GLN 243 Ca 0.08 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.08 2bdi n GLN 243 Cb 0.20 -0.05 0.00 0.00 -4.06 0.00 0.00 30.24 26.32 2bdi n GLN 243 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86