#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 4.76 -1.22 1.39 -1.09 0.18 -4.07 121.20 121.14 2bdi s ILE 17 Ca 0.00 -0.03 -0.04 0.00 -2.23 0.00 0.00 60.65 58.35 2bdi s ILE 17 Cb 0.00 -3.19 0.00 0.00 -1.58 0.00 0.00 42.46 37.69 2bdi s ILE 17 CO 0.00 0.39 1.05 0.59 -1.23 0.00 0.00 174.94 175.73 2bdi n ASN 18 N 4.19 -4.03 -0.21 3.58 5.03 -1.26 -2.18 115.26 120.38 2bdi n ASN 18 Ca -0.16 -0.56 0.00 0.00 0.87 0.00 0.00 54.58 54.73 2bdi n ASN 18 Cb 0.52 -4.90 0.00 0.00 -1.02 0.00 0.00 39.78 34.38 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 -1.52 7.09 3.29 7.41 0.00 -1.26 -4.82 105.19 115.37 2bdi n GLY 19 Ca -0.14 -2.05 -0.10 0.00 0.00 0.00 0.00 46.02 43.73 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 0.82 1.17 0.19 1.61 2.02 -0.48 -4.93 118.70 119.10 2bdi s GLU 20 Ca 0.00 -1.38 -0.33 0.00 0.02 0.00 0.00 54.97 53.28 2bdi s GLU 20 Cb 0.00 0.33 -0.13 0.00 0.10 0.00 0.00 34.13 34.42 2bdi s GLU 20 CO 0.00 -0.41 1.58 -0.25 0.02 0.00 0.00 175.26 176.20 2bdi n ASP 21 N -0.23 3.23 -3.62 -0.19 9.92 -1.26 -1.26 116.55 123.14 2bdi n ASP 21 Ca -0.03 1.09 -0.30 0.00 -0.53 0.00 0.00 54.79 55.01 2bdi n ASP 21 Cb 0.64 -1.46 0.26 0.00 -0.64 0.00 0.00 41.12 39.91 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 -3.81 6.75 -0.41 0.00 0.15 -1.26 -4.96 113.70 110.17 2bdi s SER 23 Ca 0.71 0.77 -0.39 0.00 0.70 0.00 0.00 55.95 57.75 2bdi s SER 23 Cb -0.09 -2.46 -0.16 0.00 -1.71 0.00 0.00 66.02 61.59 2bdi s SER 23 CO 0.56 -0.74 1.33 -2.65 1.20 0.00 0.00 173.24 172.93 2bdi n PRO 24 N 6.51 0.00 -1.39 5.44 -0.02 -1.26 0.88 135.00 145.17 2bdi n PRO 24 Ca 0.07 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.44 2bdi n PRO 24 Cb 0.48 -1.23 -0.05 0.00 -0.02 0.00 0.00 33.50 32.68 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 3.35 -0.04 0.66 6.00 8.25 -1.26 -4.89 115.22 127.29 2bdi n HIS 25 Ca 0.26 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.84 2bdi n HIS 25 Cb -0.05 -2.14 0.46 0.00 1.12 0.00 0.00 29.99 29.38 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 0.16 0.35 -3.32 0.41 3.41 0.26 -3.90 113.62 110.99 2bdi n SER 26 Ca -0.11 0.55 -0.26 0.00 -0.26 0.00 0.00 58.87 58.80 2bdi n SER 26 Cb 0.39 -0.64 -0.08 0.00 -0.26 0.00 0.00 64.21 63.62 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 -1.85 1.54 0.00 4.33 1.13 -1.26 -4.97 117.38 116.30 2bdi n GLN 27 Ca 0.05 -3.90 0.00 0.00 -1.94 0.00 0.00 57.00 51.21 2bdi n GLN 27 Cb 0.30 -1.72 0.01 0.00 0.11 0.00 0.00 30.24 28.94 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 1.21 0.00 0.00 -1.09 -0.04 -1.25 -1.58 135.00 132.24 2bdi n PRO 28 Ca 0.25 0.46 0.12 0.00 -0.04 0.00 0.00 63.50 64.30 2bdi n PRO 28 Cb 0.47 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.70 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 -1.47 0.00 -2.07 0.54 2.14 -1.07 -2.21 117.44 113.30 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 -0.13 -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 -2.65 4.26 -0.13 -2.67 2.00 -0.62 -0.79 119.66 119.06 2bdi s GLN 30 Ca 0.19 2.17 0.01 0.00 -2.00 0.00 0.00 55.36 55.73 2bdi s GLN 30 Cb 0.18 -3.37 -0.01 0.00 0.80 0.00 0.00 33.01 30.61 2bdi s GLN 30 CO 0.59 -0.57 -0.15 0.00 -0.50 0.00 0.00 175.29 174.66 2bdi s ALA 31 N 1.72 2.52 -0.11 1.58 0.00 0.13 -4.32 121.76 123.29 2bdi s ALA 31 Ca 0.68 -0.93 -0.11 0.00 0.00 0.00 0.00 51.96 51.60 2bdi s ALA 31 Cb -0.38 -1.14 -0.05 0.00 0.00 0.00 0.00 23.12 21.55 2bdi s ALA 31 CO 0.30 0.22 0.24 0.00 0.00 0.00 0.00 175.76 176.52 2bdi s ALA 32 N 0.41 3.75 -0.31 0.00 0.00 -0.38 0.10 121.76 125.33 2bdi s ALA 32 Ca -0.12 -0.49 -0.05 0.00 0.00 0.00 0.00 51.96 51.30 2bdi s ALA 32 Cb -0.16 -2.19 0.04 0.00 0.00 0.00 0.00 23.12 20.80 2bdi s ALA 32 CO 0.06 0.42 0.06 -0.51 0.00 0.00 0.00 175.76 175.78 2bdi s LEU 33 N -0.57 4.01 0.05 0.00 1.02 0.10 -0.94 118.68 122.35 2bdi s LEU 33 Ca 0.17 -1.08 0.06 0.00 0.02 0.00 0.00 54.13 53.30 2bdi s LEU 33 Cb -0.13 -1.81 -0.04 0.00 0.02 0.00 0.00 46.19 44.23 2bdi s LEU 33 CO 0.06 -0.27 -0.12 0.68 0.02 0.00 0.00 176.35 176.72 2bdi s VAL 34 N 1.37 3.23 0.00 -1.59 -7.23 -1.12 -1.36 120.40 113.70 2bdi s VAL 34 Ca -0.02 -1.09 0.00 0.00 -1.81 0.00 0.00 61.98 59.06 2bdi s VAL 34 Cb -0.19 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.33 2bdi s VAL 34 CO 0.01 0.28 0.00 0.23 -0.31 0.00 0.00 175.10 175.31 2bdi n MET 35 N 1.29 3.85 -0.20 4.82 2.81 0.38 -3.77 117.12 126.30 2bdi n MET 35 Ca -0.15 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.69 2bdi n MET 35 Cb 0.52 0.00 -0.05 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 -0.21 -0.50 0.03 4.71 -1.26 -3.57 120.64 119.84 2bdi n GLU 36 Ca 0.00 0.76 0.00 0.00 -0.01 0.00 0.00 57.16 57.91 2bdi n GLU 36 Cb 0.00 -1.12 0.00 0.00 -1.01 0.00 0.00 31.44 29.31 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 -4.53 0.00 -4.11 1.62 4.13 -1.26 -5.13 115.26 105.98 2bdi n ASN 37 Ca 0.01 -1.16 -0.08 0.00 1.68 0.00 0.00 54.58 55.02 2bdi n ASN 37 Cb 0.13 -0.03 -0.10 0.00 -1.54 0.00 0.00 39.78 38.23 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 0.67 0.09 3.52 2.12 -1.23 -5.13 118.70 118.75 2bdi s GLU 38 Ca 0.00 -1.22 -0.27 0.00 0.36 0.00 0.00 54.97 53.83 2bdi s GLU 38 Cb 0.00 0.05 -0.06 0.00 0.26 0.00 0.00 34.13 34.38 2bdi s GLU 38 CO 0.00 -0.07 0.85 -1.17 -0.54 0.00 0.00 175.26 174.33 2bdi s LEU 40 N -2.87 4.50 0.00 2.70 1.98 -1.26 -0.47 118.68 123.25 2bdi s LEU 40 Ca 0.07 1.63 0.00 0.00 -2.89 0.00 0.00 54.13 52.95 2bdi s LEU 40 Cb 0.06 -3.40 0.00 0.00 0.66 0.00 0.00 46.19 43.51 2bdi s LEU 40 CO -0.08 0.01 0.00 2.22 -1.89 0.00 0.00 176.35 176.62 2bdi n PHE 41 N 2.59 0.00 -3.83 5.38 -1.74 -0.46 -4.94 117.46 114.46 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 0.49 0.00 0.01 0.00 1.52 0.00 0.00 39.48 41.50 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 -3.07 1.42 0.33 0.00 0.01 -0.64 -0.73 113.70 111.02 2bdi s SER 43 Ca 0.15 -1.48 -0.10 0.00 1.31 0.00 0.00 55.95 55.83 2bdi s SER 43 Cb -0.05 0.29 0.02 0.00 0.21 0.00 0.00 66.02 66.49 2bdi s SER 43 CO 0.09 -0.82 0.57 -0.83 0.41 0.00 0.00 173.24 172.66 2bdi s GLY 44 N -3.35 0.86 -0.07 3.44 0.00 0.12 -4.11 107.32 104.20 2bdi s GLY 44 Ca 0.36 -1.08 0.02 0.00 0.00 0.00 0.00 44.72 44.01 2bdi s GLY 44 CO 0.16 -0.67 -0.10 0.14 0.00 0.00 0.00 173.10 172.63 2bdi s VAL 45 N -3.14 1.02 -0.61 1.40 1.01 0.33 -0.69 120.40 119.73 2bdi s VAL 45 Ca 0.23 -0.39 -0.27 0.00 0.00 0.00 0.00 61.98 61.56 2bdi s VAL 45 Cb -0.02 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 2bdi s VAL 45 CO 0.14 0.34 1.81 -0.22 0.00 0.00 0.00 175.10 177.17 2bdi s LEU 46 N 0.91 3.29 0.00 3.92 2.96 0.03 0.21 118.68 130.00 2bdi s LEU 46 Ca -0.10 0.33 0.23 0.00 -0.22 0.00 0.00 54.13 54.37 2bdi s LEU 46 Cb -0.15 -2.59 0.37 0.00 0.50 0.00 0.00 46.19 44.31 2bdi s LEU 46 CO 0.01 -2.30 1.36 1.33 -1.32 0.00 0.00 176.35 175.43 2bdi n VAL 47 N 7.16 0.39 -3.58 1.68 0.24 -0.96 -1.59 118.33 121.67 2bdi n VAL 47 Ca 0.19 -0.69 -0.06 0.00 -2.04 0.00 0.00 64.34 61.73 2bdi n VAL 47 Cb 0.52 1.10 -0.03 0.00 -1.47 0.00 0.00 33.84 33.96 2bdi n VAL 47 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2bdi s HIS 48 N -1.59 -0.22 0.39 6.34 5.65 -1.20 -4.73 115.29 119.95 2bdi s HIS 48 Ca 0.36 0.23 0.13 0.00 0.25 0.00 0.00 55.06 56.03 2bdi s HIS 48 Cb 0.22 0.50 0.96 0.00 -1.18 0.00 0.00 32.58 33.08 2bdi s HIS 48 CO 0.31 -0.29 1.87 -1.35 -0.65 0.00 0.00 174.74 174.64 2bdi h PRO 49 N 2.14 0.52 -0.16 2.88 0.11 -1.92 -2.75 132.00 132.81 2bdi h PRO 49 Ca -0.14 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.90 2bdi h PRO 49 Cb 1.18 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 2bdi h PRO 49 CO 0.26 0.34 -0.08 0.94 -0.21 0.00 0.00 178.00 179.25 2bdi n GLN 50 N -4.53 1.97 -3.74 1.05 7.27 -1.26 -1.52 117.38 116.62 2bdi n GLN 50 Ca 0.17 -2.90 -0.14 0.00 0.07 0.00 0.00 57.00 54.21 2bdi n GLN 50 Cb 0.56 -1.70 -0.15 0.00 2.41 0.00 0.00 30.24 31.37 2bdi n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 2bdi s TRP 51 N -2.99 -0.16 -0.19 3.69 0.52 -1.04 -1.61 118.94 117.16 2bdi s TRP 51 Ca 0.39 0.49 -0.02 0.00 0.02 0.00 0.00 56.10 56.97 2bdi s TRP 51 Cb 0.34 -0.12 -0.01 0.00 -1.15 0.00 0.00 33.47 32.54 2bdi s TRP 51 CO 0.03 -0.18 -0.09 0.08 0.02 0.00 0.00 176.95 176.81 2bdi s VAL 52 N 1.34 3.09 0.13 4.03 1.01 0.28 -2.28 120.40 128.00 2bdi s VAL 52 Ca -0.07 -0.60 -0.22 0.00 0.00 0.00 0.00 61.98 61.09 2bdi s VAL 52 Cb -0.12 -2.37 -0.07 0.00 0.00 0.00 0.00 36.38 33.82 2bdi s VAL 52 CO -0.06 0.47 0.67 -0.22 0.00 0.00 0.00 175.10 175.96 2bdi s LEU 53 N 1.18 4.53 0.00 3.92 2.96 0.13 -0.15 118.68 131.25 2bdi s LEU 53 Ca 0.02 1.43 -0.09 0.00 -0.22 0.00 0.00 54.13 55.27 2bdi s LEU 53 Cb -0.14 -3.16 0.04 0.00 0.50 0.00 0.00 46.19 43.43 2bdi s LEU 53 CO -0.03 0.21 0.51 -0.24 -1.32 0.00 0.00 176.35 175.48 2bdi n SER 54 N 1.51 -1.47 -4.70 3.68 2.88 0.28 0.12 113.62 115.93 2bdi n SER 54 Ca -0.07 -2.10 -0.41 0.00 -1.33 0.00 0.00 58.87 54.95 2bdi n SER 54 Cb 0.50 2.48 -0.04 0.00 -0.75 0.00 0.00 64.21 66.40 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 -1.81 3.34 0.47 -1.46 0.00 -1.26 0.42 121.76 121.46 2bdi s ALA 55 Ca 0.12 0.23 0.28 0.00 0.00 0.00 0.00 51.96 52.58 2bdi s ALA 55 Cb -0.03 -3.16 1.34 0.00 0.00 0.00 0.00 23.12 21.27 2bdi s ALA 55 CO 0.09 -0.32 1.79 0.00 0.00 0.00 0.00 175.76 177.32 2bdi h ALA 56 N 6.95 2.69 0.00 0.00 0.00 -1.64 0.33 119.26 127.58 2bdi h ALA 56 Ca -0.37 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2bdi h ALA 56 Cb 1.18 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2bdi h ALA 56 CO 0.78 -1.07 0.00 -2.39 0.00 0.00 0.00 179.25 176.58 2bdi n HIS 57 N -4.41 0.00 0.23 0.00 1.44 -1.26 -2.38 115.22 108.84 2bdi n HIS 57 Ca 0.26 -0.01 0.03 0.00 -2.01 0.00 0.00 57.72 55.98 2bdi n HIS 57 Cb 1.07 -0.09 0.01 0.00 0.12 0.00 0.00 29.99 31.10 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 0.07 -0.11 -4.15 0.00 7.35 -1.00 -5.02 117.46 114.60 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 0.13 -2.02 -0.07 0.00 0.35 0.00 0.00 39.48 37.86 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 -1.12 1.57 0.06 -4.13 -1.52 -1.26 -5.05 119.66 108.22 2bdi s GLN 60 Ca 0.63 -1.68 0.12 0.00 -1.95 0.00 0.00 55.36 52.48 2bdi s GLN 60 Cb -0.88 0.36 -0.17 0.00 -0.22 0.00 0.00 33.01 32.10 2bdi s GLN 60 CO 0.57 -0.60 0.96 -0.91 -0.25 0.00 0.00 175.29 175.06 2bdi h ASN 61 N 2.31 0.00 -3.99 5.90 2.35 -1.95 -3.46 115.58 116.74 2bdi h ASN 61 Ca -0.30 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.34 2bdi h ASN 61 Cb 1.24 0.00 -0.23 0.00 0.05 0.00 0.00 38.32 39.38 2bdi h ASN 61 CO 0.42 0.85 -0.21 -0.94 -1.65 0.00 0.00 177.43 175.91 2bdi s SER 62 N -6.24 -0.43 0.27 5.81 1.04 -1.26 -4.61 113.70 108.28 2bdi s SER 62 Ca -0.02 0.80 0.12 0.00 0.48 0.00 0.00 55.95 57.34 2bdi s SER 62 Cb 0.09 0.83 -0.05 0.00 0.10 0.00 0.00 66.02 66.98 2bdi s SER 62 CO 0.81 -0.18 -0.20 -0.31 0.98 0.00 0.00 173.24 174.35 2bdi s TYR 63 N 0.09 2.31 -0.55 5.02 1.51 -0.31 -5.01 117.35 120.41 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 -1.01 0.15 0.00 -0.11 0.00 0.00 41.96 40.96 2bdi s TYR 63 CO 0.01 0.70 0.33 0.99 -1.11 0.00 0.00 175.55 176.47 2bdi s THR 64 N -2.44 2.25 0.05 -0.71 2.01 -1.25 -2.48 115.64 113.08 2bdi s THR 64 Ca 0.29 -3.40 -0.30 0.00 0.31 0.00 0.00 61.69 58.59 2bdi s THR 64 Cb -0.05 -2.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 2bdi s THR 64 CO 0.15 -0.92 1.00 -0.63 -0.69 0.00 0.00 174.62 173.53 2bdi s ILE 65 N -0.49 4.63 -0.24 1.82 1.01 -0.94 -2.78 121.20 124.21 2bdi s ILE 65 Ca 0.21 1.98 -0.05 0.00 0.00 0.00 0.00 60.65 62.79 2bdi s ILE 65 Cb -0.17 -4.27 -0.01 0.00 0.01 0.00 0.00 42.46 38.03 2bdi s ILE 65 CO -0.07 0.21 -0.00 -0.83 0.00 0.00 0.00 174.94 174.25 2bdi s GLY 66 N 0.66 1.67 0.21 6.18 0.00 -0.11 -1.61 107.32 114.31 2bdi s GLY 66 Ca 0.51 -1.24 0.06 0.00 0.00 0.00 0.00 44.72 44.05 2bdi s GLY 66 CO 0.29 0.50 0.18 1.08 0.00 0.00 0.00 173.10 175.14 2bdi s LEU 67 N 1.49 3.84 -1.39 0.66 1.43 -0.48 -1.25 118.68 122.98 2bdi s LEU 67 Ca 0.05 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 2bdi s LEU 67 Cb -0.15 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.66 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 -0.80 1.38 3.95 -3.19 0.00 -1.26 -1.79 105.19 103.49 2bdi n GLY 69 Ca -0.08 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.99 2.95 0.00 0.99 1.43 -1.26 -4.12 118.68 115.68 2bdi s LEU 70 Ca 0.00 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 2bdi s LEU 70 Cb 0.00 -2.72 0.00 0.00 0.03 0.00 0.00 46.19 43.50 2bdi s LEU 70 CO 0.00 -1.66 0.00 1.57 0.23 0.00 0.00 176.35 176.49 2bdi n HIS 71 N -2.85 -0.24 -4.26 0.29 -0.00 -1.26 -4.65 115.22 102.24 2bdi n HIS 71 Ca 0.10 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.56 2bdi n HIS 71 Cb 0.60 0.10 -0.08 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 -2.38 4.47 0.54 0.26 1.04 -1.26 -0.89 113.70 115.48 2bdi s SER 72 Ca 0.00 -0.53 0.31 0.00 0.48 0.00 0.00 55.95 56.21 2bdi s SER 72 Cb 0.00 -0.84 1.51 0.00 0.10 0.00 0.00 66.02 66.79 2bdi s SER 72 CO 0.00 0.08 2.06 -0.07 0.98 0.00 0.00 173.24 176.29 2bdi h LEU 73 N 2.65 0.00 -7.66 2.42 3.38 -1.95 -3.38 115.31 110.77 2bdi h LEU 73 Ca -0.46 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.21 2bdi h LEU 73 Cb 1.21 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.98 2bdi h LEU 73 CO 0.57 0.09 0.90 -0.62 0.09 0.00 0.00 178.44 179.46 2bdi n GLU 74 N -3.37 0.78 -0.32 1.13 -0.58 -1.26 -4.80 120.64 112.22 2bdi n GLU 74 Ca -0.01 -1.88 0.20 0.00 -0.42 0.00 0.00 57.16 55.05 2bdi n GLU 74 Cb 0.26 -3.51 0.39 0.00 -0.57 0.00 0.00 31.44 28.01 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 10.23 1.57 -0.15 0.62 0.00 -1.95 -1.66 119.26 127.93 2bdi h ALA 74 Ca 0.17 0.27 -0.19 0.00 0.00 0.00 0.00 54.91 55.16 2bdi h ALA 74 Cb 0.89 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 2bdi h ALA 74 CO 1.38 -0.64 -0.02 -0.40 0.00 0.00 0.00 179.25 179.56 2bdi n ASP 75 N -5.29 5.64 0.00 0.00 5.75 -1.26 -2.17 116.55 119.22 2bdi n ASP 75 Ca 0.28 -2.65 0.00 0.00 -0.01 0.00 0.00 54.79 52.41 2bdi n ASP 75 Cb 0.91 -1.24 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 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 1.60 0.00 -3.96 0.11 6.02 -0.62 -5.05 117.38 115.47 2bdi n GLN 76 Ca 0.27 -0.01 -0.30 0.00 -0.01 0.00 0.00 57.00 56.96 2bdi n GLN 76 Cb 0.67 -0.18 -0.16 0.00 1.02 0.00 0.00 30.24 31.59 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 1.87 0.00 -1.09 0.41 -0.92 -5.02 118.70 113.94 2bdi s GLU 77 Ca 0.00 -0.66 0.00 0.00 -0.41 0.00 0.00 54.97 53.90 2bdi s GLU 77 Cb 0.00 -2.19 0.00 0.00 -1.78 0.00 0.00 34.13 30.16 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 4.77 0.00 0.00 0.39 -0.02 -1.26 -3.02 135.00 135.86 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 -0.36 0.00 0.00 -0.02 0.00 0.00 33.50 33.60 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 -4.76 105.19 101.70 2bdi n GLY 79 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2bdi n GLY 79 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bdi s SER 80 N -1.75 5.38 -0.10 1.61 1.04 -1.17 -4.75 113.70 113.95 2bdi s SER 80 Ca 0.00 2.57 -0.03 0.00 0.48 0.00 0.00 55.95 58.97 2bdi s SER 80 Cb 0.00 -2.62 0.05 0.00 0.10 0.00 0.00 66.02 63.55 2bdi s SER 80 CO 0.00 -1.48 0.08 -1.10 0.98 0.00 0.00 173.24 171.72 2bdi s GLN 81 N -3.00 -0.00 -1.25 4.02 -0.21 -0.74 -4.99 119.66 113.49 2bdi s GLN 81 Ca 0.72 0.19 -0.13 0.00 0.02 0.00 0.00 55.36 56.16 2bdi s GLN 81 Cb -0.35 -1.08 0.16 0.00 1.00 0.00 0.00 33.01 32.73 2bdi s GLN 81 CO 0.41 -0.48 1.64 -1.33 -2.12 0.00 0.00 175.29 173.40 2bdi n MET 82 N 5.29 3.41 -1.46 2.91 2.81 -1.26 -1.38 117.12 127.44 2bdi n MET 82 Ca -0.05 -3.65 -0.30 0.00 -1.81 0.00 0.00 57.70 51.90 2bdi n MET 82 Cb 0.50 -3.05 0.20 0.00 -0.71 0.00 0.00 33.22 30.15 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 1.49 1.81 0.10 2.03 -7.23 -0.64 -4.88 120.40 113.08 2bdi s VAL 83 Ca 0.43 0.00 0.04 0.00 -1.81 0.00 0.00 61.98 60.64 2bdi s VAL 83 Cb 0.02 -2.72 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 2bdi s VAL 83 CO 0.01 0.00 -0.11 -1.61 -0.31 0.00 0.00 175.10 173.08 2bdi s GLU 84 N -5.56 0.88 0.17 4.82 2.02 -1.26 -2.23 118.70 117.54 2bdi s GLU 84 Ca 0.71 -1.16 -0.20 0.00 0.02 0.00 0.00 54.97 54.33 2bdi s GLU 84 Cb -0.08 -0.62 0.05 0.00 0.10 0.00 0.00 34.13 33.58 2bdi s GLU 84 CO 0.55 0.10 0.56 0.00 0.02 0.00 0.00 175.26 176.49 2bdi s ALA 85 N -2.32 -1.32 0.00 5.21 0.00 -1.03 -0.97 121.76 121.33 2bdi s ALA 85 Ca 0.06 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.21 2bdi s ALA 85 Cb -0.04 0.84 0.00 0.00 0.00 0.00 0.00 23.12 23.92 2bdi s ALA 85 CO 0.01 -0.78 0.00 -1.13 0.00 0.00 0.00 175.76 173.86 2bdi n SER 86 N -0.35 0.00 -4.58 0.00 3.41 -1.26 -1.16 113.62 109.68 2bdi n SER 86 Ca -0.14 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.04 2bdi n SER 86 Cb 0.64 0.00 -0.04 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 4.04 0.03 1.04 0.20 -1.26 -4.67 118.68 118.06 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 -3.18 -0.03 0.00 -0.43 0.00 0.00 46.19 42.55 2bdi s LEU 87 CO 0.00 -0.90 -0.26 -0.94 -0.29 0.00 0.00 176.35 173.96 2bdi s SER 88 N 2.01 3.07 -0.24 3.68 1.04 -1.26 -0.77 113.70 121.23 2bdi s SER 88 Ca 0.36 -0.56 0.01 0.00 0.48 0.00 0.00 55.95 56.25 2bdi s SER 88 Cb -0.12 -0.29 0.06 0.00 0.10 0.00 0.00 66.02 65.78 2bdi s SER 88 CO 0.21 0.26 -0.07 -0.69 0.98 0.00 0.00 173.24 173.93 2bdi s VAL 89 N -0.76 1.72 0.46 5.02 1.01 0.88 -4.98 120.40 123.74 2bdi s VAL 89 Ca 0.11 -1.35 -0.17 0.00 0.00 0.00 0.00 61.98 60.57 2bdi s VAL 89 Cb -0.10 -1.94 -0.09 0.00 0.00 0.00 0.00 36.38 34.25 2bdi s VAL 89 CO 0.01 -0.08 0.94 -0.13 0.00 0.00 0.00 175.10 175.84 2bdi s ARG 90 N 1.31 4.04 0.25 2.72 0.52 -1.26 -1.22 118.95 125.31 2bdi s ARG 90 Ca -0.07 0.95 -0.30 0.00 -0.52 0.00 0.00 55.73 55.80 2bdi s ARG 90 Cb -0.19 -2.20 -0.10 0.00 0.52 0.00 0.00 34.95 32.98 2bdi s ARG 90 CO -0.06 -0.13 1.40 -1.58 0.02 0.00 0.00 175.30 174.95 2bdi s HIS 91 N -2.39 3.06 0.25 -0.53 5.65 -0.92 -4.90 115.29 115.51 2bdi s HIS 91 Ca 0.59 1.11 -0.07 0.00 0.25 0.00 0.00 55.06 56.94 2bdi s HIS 91 Cb -0.10 -3.76 0.41 0.00 -1.18 0.00 0.00 32.58 27.95 2bdi s HIS 91 CO 0.24 -2.42 1.39 -2.30 -0.65 0.00 0.00 174.74 170.99 2bdi n PRO 92 N 2.17 -0.08 -0.42 2.88 -0.02 -1.26 -0.64 135.00 137.62 2bdi n PRO 92 Ca 0.06 1.39 0.05 0.00 -2.02 0.00 0.00 63.50 62.97 2bdi n PRO 92 Cb 0.41 -2.07 0.22 0.00 -0.02 0.00 0.00 33.50 32.04 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 -5.45 2.84 -1.66 -0.52 -0.58 -1.26 -4.99 120.64 109.03 2bdi n GLU 93 Ca 0.14 -1.75 -0.40 0.00 -0.42 0.00 0.00 57.16 54.73 2bdi n GLU 93 Cb 0.44 -1.73 0.03 0.00 -0.57 0.00 0.00 31.44 29.61 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 0.51 1.53 -1.31 -0.32 9.36 0.18 -2.08 117.16 125.05 2bdi n TYR 94 Ca 0.16 0.49 -0.12 0.00 3.32 0.00 0.00 57.90 61.75 2bdi n TYR 94 Cb 0.65 -2.27 -0.05 0.00 -0.63 0.00 0.00 39.34 37.04 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 -0.12 -5.29 -3.62 2.98 2.85 0.10 -4.93 115.26 107.23 2bdi n ASN 95 Ca 0.10 0.29 -0.29 0.00 -0.11 0.00 0.00 54.58 54.56 2bdi n ASN 95 Cb 0.42 -4.04 -0.14 0.00 1.24 0.00 0.00 39.78 37.26 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 -2.92 0.59 1.06 1.20 1.81 -0.88 -2.74 118.95 117.06 2bdi s ARG 96 Ca 0.00 -1.06 -0.14 0.00 -1.72 0.00 0.00 55.73 52.81 2bdi s ARG 96 Cb 0.00 -1.66 0.22 0.00 -0.45 0.00 0.00 34.95 33.06 2bdi s ARG 96 CO 0.00 -1.06 1.09 -2.14 -0.68 0.00 0.00 175.30 172.51 2bdi s PRO 97 N 1.52 -0.05 -0.05 3.54 0.02 -1.26 -4.88 135.00 133.84 2bdi s PRO 97 Ca 0.12 0.40 -0.38 0.00 0.02 0.00 0.00 61.00 61.16 2bdi s PRO 97 Cb -0.19 -1.69 -0.16 0.00 0.02 0.00 0.00 34.50 32.48 2bdi s PRO 97 CO -0.21 -3.03 1.48 -0.11 -0.33 0.00 0.00 177.00 174.79 2bdi n LEU 98 N -4.37 1.86 0.00 -5.54 7.94 -1.11 -0.44 117.00 115.35 2bdi n LEU 98 Ca 0.06 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 56.07 2bdi n LEU 98 Cb 0.58 -1.17 0.00 0.00 0.53 0.00 0.00 43.42 43.36 2bdi n LEU 98 CO 0.55 -0.85 0.00 0.18 -1.11 0.00 0.00 177.39 176.16 2bdi n LEU 99 N 3.50 0.00 -4.76 -1.96 4.77 -1.26 -4.95 117.00 112.34 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 0.17 -0.04 0.14 0.00 -2.33 0.00 0.00 43.42 41.35 2bdi n LEU 99 CO 0.69 0.00 0.70 0.00 -1.33 0.00 0.00 177.39 177.44 2bdi s ALA 100 N -2.12 1.67 -1.54 -1.18 0.00 0.41 -4.15 121.76 114.84 2bdi s ALA 100 Ca 0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 51.96 51.49 2bdi s ALA 100 Cb 0.00 -3.07 0.06 0.00 0.00 0.00 0.00 23.12 20.10 2bdi s ALA 100 CO 0.00 -2.30 0.44 0.09 0.00 0.00 0.00 175.76 173.99 2bdi n ASN 101 N -3.80 -0.96 -2.76 0.00 4.13 -1.26 0.02 115.26 110.63 2bdi n ASN 101 Ca 0.06 -1.08 -0.25 0.00 1.68 0.00 0.00 54.58 54.99 2bdi n ASN 101 Cb 0.58 -2.59 -0.08 0.00 -1.54 0.00 0.00 39.78 36.15 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 -2.85 6.72 -4.21 6.41 2.03 -1.26 -4.22 116.55 119.17 2bdi n ASP 102 Ca -0.19 -2.47 -0.19 0.00 0.52 0.00 0.00 54.79 52.46 2bdi n ASP 102 Cb 0.62 -1.41 -0.12 0.00 -0.72 0.00 0.00 41.12 39.50 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 0.09 2.32 -0.14 -2.67 2.34 -1.26 -2.74 118.68 116.61 2bdi s LEU 103 Ca 0.63 -0.69 -0.10 0.00 0.06 0.00 0.00 54.13 54.03 2bdi s LEU 103 Cb 0.22 -0.57 0.05 0.00 -0.56 0.00 0.00 46.19 45.32 2bdi s LEU 103 CO -0.03 -0.08 0.37 -0.32 -1.06 0.00 0.00 176.35 175.22 2bdi s MET 104 N -2.08 0.39 -0.19 1.48 1.75 0.17 -2.17 119.30 118.65 2bdi s MET 104 Ca 0.03 0.61 -0.14 0.00 -1.25 0.00 0.00 55.69 54.94 2bdi s MET 104 Cb -0.08 0.08 -0.04 0.00 2.84 0.00 0.00 34.83 37.62 2bdi s MET 104 CO 0.03 -0.10 0.30 -0.51 -0.65 0.00 0.00 175.02 174.08 2bdi s LEU 105 N 0.77 4.19 -0.24 4.11 1.43 -0.36 -0.55 118.68 128.04 2bdi s LEU 105 Ca -0.05 0.44 -0.07 0.00 -1.03 0.00 0.00 54.13 53.42 2bdi s LEU 105 Cb -0.06 -2.36 -0.03 0.00 0.03 0.00 0.00 46.19 43.77 2bdi s LEU 105 CO -0.06 0.04 0.06 -0.63 0.23 0.00 0.00 176.35 175.99 2bdi s ILE 106 N 0.81 4.26 -0.25 -0.59 1.01 0.78 -0.08 121.20 127.14 2bdi s ILE 106 Ca 0.16 -0.19 -0.19 0.00 0.00 0.00 0.00 60.65 60.42 2bdi s ILE 106 Cb -0.13 -2.98 -0.02 0.00 0.01 0.00 0.00 42.46 39.34 2bdi s ILE 106 CO 0.05 0.36 0.58 -0.75 0.00 0.00 0.00 174.94 175.18 2bdi s LYS 107 N 1.44 4.10 0.42 2.79 2.20 0.05 -0.55 119.74 130.19 2bdi s LYS 107 Ca 0.05 0.45 -0.23 0.00 -0.36 0.00 0.00 55.97 55.88 2bdi s LYS 107 Cb -0.15 -3.64 -0.08 0.00 -1.51 0.00 0.00 37.83 32.45 2bdi s LYS 107 CO 0.03 -0.36 1.10 -0.51 -0.36 0.00 0.00 175.35 175.24 2bdi s LEU 108 N 2.34 4.08 0.06 5.43 1.43 -0.63 -4.05 118.68 127.33 2bdi s LEU 108 Ca 0.24 2.14 -0.32 0.00 -1.03 0.00 0.00 54.13 55.16 2bdi s LEU 108 Cb -0.16 -4.22 -0.17 0.00 0.03 0.00 0.00 46.19 41.67 2bdi s LEU 108 CO 0.09 -0.67 1.49 0.44 0.23 0.00 0.00 176.35 177.93 2bdi h ASP 109 N 2.30 -1.04 -3.45 2.29 3.45 -1.40 -3.40 116.42 115.18 2bdi h ASP 109 Ca -0.49 0.05 -0.65 0.00 0.43 0.00 0.00 57.03 56.37 2bdi h ASP 109 Cb 1.23 0.28 -0.24 0.00 -0.56 0.00 0.00 39.33 40.04 2bdi h ASP 109 CO 0.61 -0.69 -0.68 -0.70 -1.57 0.00 0.00 179.24 176.22 2bdi s GLU 110 N -5.54 3.55 0.23 3.56 2.12 -1.26 -5.08 118.70 116.28 2bdi s GLU 110 Ca -0.17 -0.55 -0.30 0.00 0.36 0.00 0.00 54.97 54.31 2bdi s GLU 110 Cb 0.02 -3.07 -0.15 0.00 0.26 0.00 0.00 34.13 31.19 2bdi s GLU 110 CO 0.52 -0.06 1.14 0.45 -0.54 0.00 0.00 175.26 176.76 2bdi n SER 111 N 4.45 1.56 -4.95 -1.70 2.88 -1.26 -4.95 113.62 109.64 2bdi n SER 111 Ca -0.17 1.16 -0.23 0.00 -1.33 0.00 0.00 58.87 58.29 2bdi n SER 111 Cb 0.51 -1.28 -0.01 0.00 -0.75 0.00 0.00 64.21 62.69 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 -0.55 4.76 -0.29 2.46 -7.23 -0.58 -4.97 120.40 113.99 2bdi s VAL 112 Ca 0.66 -0.53 -0.09 0.00 -1.81 0.00 0.00 61.98 60.21 2bdi s VAL 112 Cb -0.75 -3.73 -0.01 0.00 0.56 0.00 0.00 36.38 32.44 2bdi s VAL 112 CO 0.55 -0.46 0.13 -0.44 -0.31 0.00 0.00 175.10 174.57 2bdi s SER 113 N -4.09 5.47 -0.65 4.85 0.01 -1.26 -4.81 113.70 113.22 2bdi s SER 113 Ca 0.42 -0.42 -0.29 0.00 1.31 0.00 0.00 55.95 56.97 2bdi s SER 113 Cb -0.10 -1.99 -0.13 0.00 0.21 0.00 0.00 66.02 64.02 2bdi s SER 113 CO 0.36 -0.15 2.48 -0.62 0.41 0.00 0.00 173.24 175.73 2bdi n GLU 114 N 4.97 0.68 -0.11 12.44 1.02 -1.26 -4.90 120.64 133.48 2bdi n GLU 114 Ca -0.14 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 2bdi n GLU 114 Cb 0.50 -2.59 0.00 0.00 -0.02 0.00 0.00 31.44 29.32 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 13.01 0.00 0.00 1.62 3.41 -0.57 -4.93 113.62 126.17 2bdi n SER 115 Ca 0.48 -0.16 -0.17 0.00 -0.26 0.00 0.00 58.87 58.76 2bdi n SER 115 Cb 0.31 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.20 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 0.88 -0.52 4.04 -0.00 -1.95 -3.25 116.42 115.62 2bdi h ASP 116 Ca 0.00 -0.60 0.00 0.00 -0.00 0.00 0.00 57.03 56.43 2bdi h ASP 116 Cb 0.00 -0.26 0.00 0.00 -0.00 0.00 0.00 39.33 39.07 2bdi h ASP 116 CO 0.00 1.40 0.00 0.35 -0.00 0.00 0.00 179.24 180.99 2bdi n THR 117 N -3.90 0.89 -3.52 2.25 -2.24 -1.26 -4.81 114.28 101.68 2bdi n THR 117 Ca -0.08 -0.94 -0.29 0.00 -2.27 0.00 0.00 64.05 60.47 2bdi n THR 117 Cb 0.77 0.60 -0.13 0.00 -2.10 0.00 0.00 70.33 69.47 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 -1.06 0.20 0.12 2.28 1.01 -1.23 -4.07 121.20 118.45 2bdi s ILE 118 Ca 0.37 -1.40 0.07 0.00 0.00 0.00 0.00 60.65 59.68 2bdi s ILE 118 Cb 0.20 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 2bdi s ILE 118 CO 0.26 -0.87 -0.17 -0.60 0.00 0.00 0.00 174.94 173.56 2bdi s ARG 119 N 1.43 1.07 0.45 2.79 3.52 -0.94 -1.50 118.95 125.77 2bdi s ARG 119 Ca 0.14 -1.21 -0.03 0.00 -0.13 0.00 0.00 55.73 54.50 2bdi s ARG 119 Cb -0.20 -1.10 -0.03 0.00 -1.56 0.00 0.00 34.95 32.05 2bdi s ARG 119 CO -0.14 0.23 0.73 -1.54 -0.81 0.00 0.00 175.30 173.77 2bdi s SER 120 N -2.24 6.19 0.18 -2.12 1.04 -1.26 -2.58 113.70 112.91 2bdi s SER 120 Ca 0.08 0.75 0.08 0.00 0.48 0.00 0.00 55.95 57.35 2bdi s SER 120 Cb -0.07 -2.11 -0.04 0.00 0.10 0.00 0.00 66.02 63.90 2bdi s SER 120 CO 0.04 -0.55 -0.17 -0.51 0.98 0.00 0.00 173.24 173.03 2bdi s ILE 121 N -2.65 1.83 0.12 -1.02 2.07 -0.62 -4.92 121.20 116.01 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 -0.41 0.22 -0.94 -1.91 0.00 0.00 174.94 172.32 2bdi s SER 122 N -2.93 6.14 -0.09 4.50 1.04 -1.26 -4.50 113.70 116.61 2bdi s SER 122 Ca 0.19 0.14 -0.21 0.00 0.48 0.00 0.00 55.95 56.55 2bdi s SER 122 Cb -0.04 -1.81 -0.04 0.00 0.10 0.00 0.00 66.02 64.23 2bdi s SER 122 CO 0.07 0.10 0.58 -0.63 0.98 0.00 0.00 173.24 174.34 2bdi s ILE 123 N -1.64 5.11 0.29 -1.02 1.01 -1.26 -0.70 121.20 122.98 2bdi s ILE 123 Ca 0.34 1.19 -0.30 0.00 0.00 0.00 0.00 60.65 61.87 2bdi s ILE 123 Cb -0.12 -3.92 -0.13 0.00 0.01 0.00 0.00 42.46 38.31 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 3.65 1.29 0.31 9.38 0.00 0.62 -4.80 120.51 130.95 2bdi n ALA 124 Ca -0.05 0.39 0.10 0.00 0.00 0.00 0.00 53.44 53.88 2bdi n ALA 124 Cb 0.51 -2.28 -0.14 0.00 0.00 0.00 0.00 19.45 17.54 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 1.57 0.53 -4.91 0.00 3.41 -1.26 -4.05 113.62 108.91 2bdi n SER 125 Ca 0.08 -0.32 -0.29 0.00 -0.26 0.00 0.00 58.87 58.08 2bdi n SER 125 Cb 0.34 1.62 -0.03 0.00 -0.26 0.00 0.00 64.21 65.87 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 -3.24 3.58 0.34 4.33 0.74 -1.26 -4.89 119.66 119.26 2bdi s GLN 127 Ca -0.02 -0.17 -0.16 0.00 0.05 0.00 0.00 55.36 55.05 2bdi s GLN 127 Cb 0.14 -2.77 -0.09 0.00 1.10 0.00 0.00 33.01 31.38 2bdi s GLN 127 CO 0.84 0.35 0.77 0.00 -0.55 0.00 0.00 175.29 176.70 2bdi n PRO 129 N -0.38 0.24 -4.85 0.00 -0.02 -1.26 -4.99 135.00 123.74 2bdi n PRO 129 Ca 0.04 0.09 -0.33 0.00 -2.02 0.00 0.00 63.50 61.28 2bdi n PRO 129 Cb 0.53 -1.15 -0.14 0.00 -0.02 0.00 0.00 33.50 32.72 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 -1.06 2.97 0.32 3.45 -4.23 -1.26 -5.08 115.64 110.76 2bdi s THR 130 Ca 0.63 -0.71 -0.29 0.00 -1.18 0.00 0.00 61.69 60.14 2bdi s THR 130 Cb -0.87 -2.22 -0.12 0.00 1.34 0.00 0.00 72.50 70.63 2bdi s THR 130 CO 0.57 0.54 1.32 0.00 -0.54 0.00 0.00 174.62 176.52 2bdi n ALA 132 N 3.19 1.31 0.00 3.99 0.00 -1.26 -1.99 120.51 125.74 2bdi n ALA 132 Ca -0.18 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2bdi n ALA 132 Cb 0.53 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.71 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 1.11 2.82 3.72 0.00 0.00 0.60 -4.91 105.19 108.52 2bdi n GLY 133 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 2bdi n GLY 133 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2bdi n ASN 134 N 0.43 3.47 -4.84 1.61 2.85 -0.84 -4.50 115.26 113.44 2bdi n ASN 134 Ca 0.00 1.14 -0.37 0.00 -0.11 0.00 0.00 54.58 55.24 2bdi n ASN 134 Cb 0.00 -1.53 -0.06 0.00 1.24 0.00 0.00 39.78 39.42 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 0.46 6.47 0.35 1.20 0.15 -1.26 -0.63 113.70 120.44 2bdi s SER 135 Ca 0.66 0.56 0.06 0.00 0.70 0.00 0.00 55.95 57.93 2bdi s SER 135 Cb -0.55 -2.12 -0.03 0.00 -1.71 0.00 0.00 66.02 61.60 2bdi s SER 135 CO 0.48 0.33 0.24 0.00 1.20 0.00 0.00 173.24 175.50 2bdi s LEU 137 N -3.42 2.24 0.02 0.00 2.96 -0.48 -1.42 118.68 118.58 2bdi s LEU 137 Ca 0.36 -0.56 0.01 0.00 -0.22 0.00 0.00 54.13 53.72 2bdi s LEU 137 Cb 0.02 -0.56 -0.02 0.00 0.50 0.00 0.00 46.19 46.13 2bdi s LEU 137 CO 0.24 -0.03 -0.04 0.54 -1.32 0.00 0.00 176.35 175.74 2bdi s VAL 138 N -1.12 0.24 0.04 1.68 0.11 -0.50 -0.38 120.40 120.47 2bdi s VAL 138 Ca -0.00 -0.85 -0.05 0.00 -2.93 0.00 0.00 61.98 58.15 2bdi s VAL 138 Cb -0.09 -0.34 -0.01 0.00 -1.53 0.00 0.00 36.38 34.40 2bdi s VAL 138 CO 0.02 -0.39 0.07 -0.94 -3.33 0.00 0.00 175.10 170.53 2bdi s SER 139 N -1.31 0.21 0.00 3.54 1.04 -1.21 -1.09 113.70 114.87 2bdi s SER 139 Ca -0.12 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.75 2bdi s SER 139 Cb -0.09 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.24 2bdi s SER 139 CO -0.00 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.34 2bdi n GLY 140 N 0.83 0.66 1.64 7.32 0.00 -0.54 -4.19 105.19 110.91 2bdi n GLY 140 Ca -0.19 -0.98 0.04 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.42 1.85 -1.23 1.61 8.01 -1.26 -1.70 117.44 124.29 2bdi n TRP 141 Ca 0.00 -0.91 -0.29 0.00 -1.31 0.00 0.00 57.50 54.99 2bdi n TRP 141 Cb 0.00 -0.50 0.20 0.00 -2.01 0.00 0.00 31.31 29.00 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 -1.21 1.59 0.46 6.99 0.00 -1.23 -4.30 107.32 109.63 2bdi s GLY 142 Ca 0.51 -0.74 -0.22 0.00 0.00 0.00 0.00 44.72 44.27 2bdi s GLY 142 CO 0.13 0.01 0.81 1.04 0.00 0.00 0.00 173.10 175.09 2bdi n LEU 143 N -4.38 1.77 -5.00 0.66 4.32 0.64 -2.96 117.00 112.05 2bdi n LEU 143 Ca 0.10 0.93 -0.20 0.00 -0.02 0.00 0.00 56.01 56.81 2bdi n LEU 143 Cb 0.59 -1.27 0.05 0.00 -1.62 0.00 0.00 43.42 41.17 2bdi n LEU 143 CO 0.51 -2.14 0.35 -0.76 -1.22 0.00 0.00 177.39 174.12 2bdi s LEU 144 N 0.08 3.26 0.55 2.23 1.43 0.12 -1.63 118.68 124.72 2bdi s LEU 144 Ca 0.66 -0.41 0.29 0.00 -1.03 0.00 0.00 54.13 53.64 2bdi s LEU 144 Cb -0.54 -2.30 1.46 0.00 0.03 0.00 0.00 46.19 44.84 2bdi s LEU 144 CO 0.55 -1.26 1.92 0.00 0.23 0.00 0.00 176.35 177.80 2bdi h ALA 145 N 0.11 2.61 -0.15 4.21 0.00 -1.87 0.37 119.26 124.54 2bdi h ALA 145 Ca -0.37 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2bdi h ALA 145 Cb 1.28 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2bdi h ALA 145 CO 0.45 -0.89 0.00 0.27 0.00 0.00 0.00 179.25 179.08 2bdi n ASN 146 N -4.19 1.17 -0.53 0.00 0.23 -1.26 -4.88 115.26 105.80 2bdi n ASN 146 Ca 0.14 -1.74 -0.07 0.00 -0.53 0.00 0.00 54.58 52.37 2bdi n ASN 146 Cb 0.80 -0.10 -0.03 0.00 -2.08 0.00 0.00 39.78 38.37 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 0.97 0.91 3.52 4.83 0.00 0.13 -5.00 105.19 110.55 2bdi n GLY 147 Ca 0.13 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 2bdi n GLY 147 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2bdi s ARG 150 N -2.43 1.91 0.10 1.61 3.00 -1.25 -4.75 118.95 117.13 2bdi s ARG 150 Ca 0.00 -1.21 -0.27 0.00 -1.00 0.00 0.00 55.73 53.25 2bdi s ARG 150 Cb 0.00 -2.14 -0.06 0.00 0.00 0.00 0.00 34.95 32.75 2bdi s ARG 150 CO 0.00 0.46 0.86 -1.64 0.00 0.00 0.00 175.30 174.99 2bdi s MET 151 N -2.40 4.61 0.71 5.12 -1.94 -1.26 0.14 119.30 124.28 2bdi s MET 151 Ca 0.21 1.27 -0.11 0.00 -1.71 0.00 0.00 55.69 55.34 2bdi s MET 151 Cb -0.10 -3.35 0.02 0.00 2.01 0.00 0.00 34.83 33.40 2bdi s MET 151 CO 0.12 0.30 1.08 -1.25 -0.01 0.00 0.00 175.02 175.25 2bdi s PRO 152 N -0.21 2.82 0.02 2.03 0.04 -1.26 -4.96 135.00 133.49 2bdi s PRO 152 Ca 0.42 0.67 0.15 0.00 0.04 0.00 0.00 61.00 62.28 2bdi s PRO 152 Cb -0.22 -2.00 -0.17 0.00 0.04 0.00 0.00 34.50 32.14 2bdi s PRO 152 CO 0.27 -1.11 0.77 1.79 0.04 0.00 0.00 177.00 178.76 2bdi h THR 153 N -0.72 0.66 -2.76 1.26 1.35 -1.95 -3.48 112.91 107.28 2bdi h THR 153 Ca -0.45 -2.31 -0.48 0.00 -0.55 0.00 0.00 66.41 62.62 2bdi h THR 153 Cb 1.24 2.21 -0.14 0.00 -1.73 0.00 0.00 68.15 69.73 2bdi h THR 153 CO 0.61 0.38 -0.64 0.68 -0.25 0.00 0.00 175.52 176.29 2bdi s VAL 154 N -2.78 1.41 0.22 6.82 -7.23 -1.26 -3.84 120.40 113.74 2bdi s VAL 154 Ca -0.03 -2.06 -0.32 0.00 -1.81 0.00 0.00 61.98 57.76 2bdi s VAL 154 Cb 0.08 -2.59 -0.12 0.00 0.56 0.00 0.00 36.38 34.32 2bdi s VAL 154 CO 0.82 -0.18 1.68 -0.22 -0.31 0.00 0.00 175.10 176.89 2bdi s LEU 155 N -3.45 4.37 0.25 1.32 2.96 -0.07 -4.86 118.68 119.20 2bdi s LEU 155 Ca 0.32 2.86 0.03 0.00 -0.22 0.00 0.00 54.13 57.12 2bdi s LEU 155 Cb 0.06 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 43.11 2bdi s LEU 155 CO 0.13 -0.95 0.40 -1.10 -1.32 0.00 0.00 176.35 173.51 2bdi s GLN 156 N 0.87 3.46 -0.01 1.98 -1.52 -0.69 -1.09 119.66 122.66 2bdi s GLN 156 Ca 0.72 -0.59 -0.03 0.00 -1.95 0.00 0.00 55.36 53.52 2bdi s GLN 156 Cb -0.49 -2.84 0.00 0.00 -0.22 0.00 0.00 33.01 29.46 2bdi s GLN 156 CO 0.35 0.37 0.07 0.00 -0.25 0.00 0.00 175.29 175.83 2bdi s VAL 158 N -0.55 0.01 -0.09 0.00 0.11 -0.25 -1.38 120.40 118.25 2bdi s VAL 158 Ca -0.06 -0.07 -0.01 0.00 -2.93 0.00 0.00 61.98 58.91 2bdi s VAL 158 Cb -0.04 -1.02 -0.03 0.00 -1.53 0.00 0.00 36.38 33.76 2bdi s VAL 158 CO 0.00 -0.04 -0.05 0.20 -3.33 0.00 0.00 175.10 171.88 2bdi s ASN 159 N -2.57 4.81 0.02 3.54 -0.87 -1.26 -1.41 114.94 117.21 2bdi s ASN 159 Ca -0.00 -0.00 -0.01 0.00 -1.57 0.00 0.00 52.86 51.27 2bdi s ASN 159 Cb -0.01 -1.36 -0.02 0.00 -0.02 0.00 0.00 41.25 39.85 2bdi s ASN 159 CO -0.10 0.33 -0.00 0.68 -2.57 0.00 0.00 177.10 175.44 2bdi s VAL 160 N -0.60 0.12 0.09 1.60 -7.23 -0.51 -4.87 120.40 109.00 2bdi s VAL 160 Ca 0.09 -0.97 0.04 0.00 -1.81 0.00 0.00 61.98 59.33 2bdi s VAL 160 Cb -0.12 -0.42 -0.04 0.00 0.56 0.00 0.00 36.38 36.36 2bdi s VAL 160 CO 0.02 -0.53 0.07 -0.44 -0.31 0.00 0.00 175.10 173.90 2bdi s SER 161 N -1.61 5.39 0.35 4.85 0.01 -1.26 -1.13 113.70 120.30 2bdi s SER 161 Ca -0.13 -0.07 -0.29 0.00 1.31 0.00 0.00 55.95 56.77 2bdi s SER 161 Cb -0.08 -1.40 -0.11 0.00 0.21 0.00 0.00 66.02 64.65 2bdi s SER 161 CO -0.02 0.16 1.43 -0.69 0.41 0.00 0.00 173.24 174.53 2bdi s VAL 162 N -1.42 2.33 0.10 3.43 1.01 0.20 -0.24 120.40 125.80 2bdi s VAL 162 Ca 0.29 0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.61 2bdi s VAL 162 Cb -0.12 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 2bdi s VAL 162 CO 0.21 0.07 0.19 -0.69 0.00 0.00 0.00 175.10 174.88 2bdi s VAL 163 N -0.97 5.05 0.63 2.92 1.01 -0.32 -0.29 120.40 128.43 2bdi s VAL 163 Ca 0.53 -0.64 -0.17 0.00 0.00 0.00 0.00 61.98 61.70 2bdi s VAL 163 Cb -0.44 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 2bdi s VAL 163 CO 0.57 0.05 1.18 -0.94 0.00 0.00 0.00 175.10 175.96 2bdi s SER 164 N -2.72 4.99 0.20 3.32 1.04 -1.26 -4.59 113.70 114.68 2bdi s SER 164 Ca 0.33 2.29 -0.10 0.00 0.48 0.00 0.00 55.95 58.94 2bdi s SER 164 Cb -0.12 -2.59 0.22 0.00 0.10 0.00 0.00 66.02 63.63 2bdi s SER 164 CO 0.26 -1.72 1.78 -0.08 0.98 0.00 0.00 173.24 174.46 2bdi h GLU 165 N 0.48 0.52 0.55 4.02 4.81 -1.98 -1.33 114.58 121.66 2bdi h GLU 165 Ca -0.49 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.69 2bdi h GLU 165 Cb 1.28 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 2bdi h GLU 165 CO 0.54 0.35 -0.46 1.49 -0.73 0.00 0.00 179.01 180.19 2bdi h GLU 166 N 0.54 -0.95 -0.63 1.92 4.81 -1.99 0.19 114.58 118.46 2bdi h GLU 166 Ca 0.28 0.06 0.12 0.00 -0.13 0.00 0.00 59.36 59.69 2bdi h GLU 166 Cb 0.23 0.22 -0.09 0.00 0.63 0.00 0.00 28.75 29.74 2bdi h GLU 166 CO -0.21 -0.63 0.13 0.28 -0.73 0.00 0.00 179.01 177.85 2bdi h VAL 167 N -0.99 0.61 -0.12 0.32 2.07 -1.84 -1.43 116.25 114.88 2bdi h VAL 167 Ca -0.07 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.40 2bdi h VAL 167 Cb 0.83 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 2bdi h VAL 167 CO -0.01 0.05 -0.23 0.00 0.02 0.00 0.00 177.57 177.40 2bdi h SER 169 N -0.30 0.58 -0.02 0.00 4.64 -0.28 -1.81 113.55 116.35 2bdi h SER 169 Ca 0.10 -0.22 -0.17 0.00 -0.47 0.00 0.00 61.79 61.03 2bdi h SER 169 Cb 0.44 -0.16 0.01 0.00 -0.31 0.00 0.00 62.40 62.39 2bdi h SER 169 CO -0.29 0.85 -0.65 0.11 -0.87 0.00 0.00 176.83 175.98 2bdi h LYS 170 N 0.49 0.48 -0.03 4.77 1.57 -1.03 0.13 116.57 122.95 2bdi h LYS 170 Ca 0.06 -0.49 0.01 0.00 -1.87 0.00 0.00 60.65 58.36 2bdi h LYS 170 Cb 0.76 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.20 2bdi h LYS 170 CO 0.06 1.13 0.08 -0.07 -0.57 0.00 0.00 179.45 180.07 2bdi h LEU 171 N 0.02 0.00 -2.35 2.94 3.38 -0.45 -2.89 115.31 115.96 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 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 2bdi h LEU 171 CO 0.13 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 177.44 2bdi n TYR 172 N -3.31 0.00 -1.72 1.13 4.01 -0.69 -5.01 117.16 111.57 2bdi n TYR 172 Ca -0.02 -0.34 -0.42 0.00 -0.16 0.00 0.00 57.90 56.96 2bdi n TYR 172 Cb 0.15 -0.03 -0.01 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 3.15 -1.27 7.72 -0.08 0.43 -0.70 116.55 125.46 2bdi n ASP 173 Ca 0.00 1.20 0.12 0.00 -1.51 0.00 0.00 54.79 54.60 2bdi n ASP 173 Cb 0.32 -1.53 0.27 0.00 2.34 0.00 0.00 41.12 42.52 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 0.13 -0.67 -0.04 -1.26 -4.84 135.00 131.70 2bdi n PRO 174 Ca 0.05 -2.49 0.13 0.00 -0.04 0.00 0.00 63.50 61.14 2bdi n PRO 174 Cb 0.36 -1.55 0.44 0.00 -0.04 0.00 0.00 33.50 32.72 2bdi n PRO 174 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2bdi h LEU 175 N 4.43 0.00 -9.85 1.53 3.38 -1.28 -3.46 115.31 110.05 2bdi h LEU 175 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 2bdi h LEU 175 Cb 1.00 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.81 2bdi h LEU 175 CO 0.00 0.00 0.64 -0.47 0.09 0.00 0.00 178.44 178.70 2bdi s TYR 176 N -3.21 3.09 0.10 1.13 6.14 -0.55 -4.88 117.35 119.18 2bdi s TYR 176 Ca 0.08 1.38 0.01 0.00 0.64 0.00 0.00 57.07 59.18 2bdi s TYR 176 Cb 0.11 -3.67 -0.04 0.00 0.42 0.00 0.00 41.96 38.78 2bdi s TYR 176 CO 0.52 -1.86 -0.03 -1.58 0.64 0.00 0.00 175.55 173.25 2bdi s HIS 177 N -0.95 0.84 -1.11 4.97 2.46 -1.26 -4.96 115.29 115.27 2bdi s HIS 177 Ca 0.50 -1.02 0.04 0.00 0.47 0.00 0.00 55.06 55.06 2bdi s HIS 177 Cb -0.39 -0.50 0.20 0.00 -0.13 0.00 0.00 32.58 31.75 2bdi s HIS 177 CO 0.50 -0.27 1.10 -2.30 -2.47 0.00 0.00 174.74 171.30 2bdi n PRO 178 N -0.04 0.02 -0.56 2.88 -0.02 -1.26 -1.01 135.00 135.00 2bdi n PRO 178 Ca -0.11 0.38 0.03 0.00 -2.02 0.00 0.00 63.50 61.78 2bdi n PRO 178 Cb 0.62 -1.50 0.24 0.00 -0.02 0.00 0.00 33.50 32.84 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 -1.44 3.88 -4.02 2.55 3.41 -1.26 -4.78 113.62 111.95 2bdi n SER 179 Ca 0.01 -2.59 -0.09 0.00 -0.26 0.00 0.00 58.87 55.94 2bdi n SER 179 Cb 0.05 -0.62 -0.08 0.00 -0.26 0.00 0.00 64.21 63.30 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 -2.07 1.05 0.13 4.33 0.23 -0.18 -1.20 119.30 121.59 2bdi s MET 180 Ca 0.33 -1.26 -0.16 0.00 -1.03 0.00 0.00 55.69 53.58 2bdi s MET 180 Cb 0.26 0.32 0.03 0.00 -1.53 0.00 0.00 34.83 33.91 2bdi s MET 180 CO 0.10 -0.35 0.41 -0.59 -2.03 0.00 0.00 175.02 172.55 2bdi s PHE 181 N -3.99 -0.18 -0.04 3.16 -0.12 -0.21 -4.69 117.98 111.91 2bdi s PHE 181 Ca 0.19 -0.14 -0.00 0.00 -0.05 0.00 0.00 56.93 56.92 2bdi s PHE 181 Cb 0.05 0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 42.67 2bdi s PHE 181 CO -0.00 -0.72 0.03 0.00 -0.05 0.00 0.00 175.22 174.47 2bdi s ALA 183 N -1.04 -0.78 0.00 0.00 0.00 -0.91 -1.18 121.76 117.85 2bdi s ALA 183 Ca 0.18 0.91 0.00 0.00 0.00 0.00 0.00 51.96 53.05 2bdi s ALA 183 Cb -0.12 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.47 2bdi s ALA 183 CO 0.08 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.10 2bdi n GLY 184 N 2.97 0.29 1.92 0.00 0.00 0.66 -2.55 105.19 108.49 2bdi n GLY 184 Ca -0.13 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 0.60 3.87 -0.02 0.00 -1.26 -4.54 105.19 103.83 2bdi n GLY 185 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2bdi n GLY 185 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bdi s GLY 186 N -1.99 1.71 0.43 -0.02 0.00 -1.26 -0.44 107.32 105.76 2bdi s GLY 186 Ca 0.00 -1.05 0.21 0.00 0.00 0.00 0.00 44.72 43.88 2bdi s GLY 186 CO 0.00 -0.31 1.89 -1.61 0.00 0.00 0.00 173.10 173.06 2bdi h GLN 186 N -1.71 0.00 0.00 2.90 5.75 -1.94 -2.56 115.11 117.55 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 1.26 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.81 2bdi h GLN 186 CO 0.42 0.27 0.00 -0.40 -2.65 0.00 0.00 178.83 176.47 2bdi n ASP 186 N -3.70 0.00 -3.96 -0.69 3.85 -1.26 -4.83 116.55 105.96 2bdi n ASP 186 Ca -0.01 -0.44 -0.31 0.00 -0.71 0.00 0.00 54.79 53.32 2bdi n ASP 186 Cb 0.38 -0.03 0.02 0.00 -1.35 0.00 0.00 41.12 40.14 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 -1.03 -5.09 -3.49 0.11 6.02 -0.96 -4.96 117.38 107.98 2bdi n GLN 187 Ca 0.11 0.56 -0.37 0.00 -0.01 0.00 0.00 57.00 57.29 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 -6.65 4.26 0.10 -1.09 1.02 -1.26 -4.45 119.74 111.67 2bdi s LYS 188 Ca 0.64 0.15 -0.26 0.00 0.02 0.00 0.00 55.97 56.52 2bdi s LYS 188 Cb -0.33 -3.44 0.08 0.00 -0.52 0.00 0.00 37.83 33.62 2bdi s LYS 188 CO 0.85 0.19 1.07 0.34 -0.92 0.00 0.00 175.35 176.88 2bdi s ASP 189 N 0.58 -0.12 0.87 2.83 2.15 -0.92 -4.17 116.67 117.88 2bdi s ASP 189 Ca 0.18 -0.35 -0.08 0.00 0.43 0.00 0.00 52.55 52.73 2bdi s ASP 189 Cb -0.13 0.39 0.15 0.00 -0.30 0.00 0.00 42.92 43.03 2bdi s ASP 189 CO 0.05 -0.72 0.96 -1.20 -0.17 0.00 0.00 175.17 174.10 2bdi n SER 190 N -0.56 0.50 -3.26 -0.34 7.64 -1.26 0.48 113.62 116.81 2bdi n SER 190 Ca -0.06 -1.61 -0.08 0.00 1.01 0.00 0.00 58.87 58.13 2bdi n SER 190 Cb 0.61 -0.70 0.01 0.00 -1.01 0.00 0.00 64.21 63.12 2bdi n SER 190 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bdi n ASN 192 N -1.07 1.63 0.00 0.00 4.13 -1.26 -0.88 115.26 117.81 2bdi n ASN 192 Ca -0.07 1.12 0.00 0.00 1.68 0.00 0.00 54.58 57.31 2bdi n ASN 192 Cb 0.60 -1.18 0.00 0.00 -1.54 0.00 0.00 39.78 37.66 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 2.57 0.25 0.58 7.41 0.00 -1.26 -0.26 105.19 114.48 2bdi n GLY 193 Ca 0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.29 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 2.17 -4.58 1.61 8.00 -0.06 -3.53 116.55 120.16 2bdi n ASP 194 Ca 0.00 -1.59 -0.44 0.00 0.71 0.00 0.00 54.79 53.47 2bdi n ASP 194 Cb 0.00 0.13 -0.01 0.00 -0.02 0.00 0.00 41.12 41.22 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 0.64 1.17 0.00 -2.24 7.64 -1.26 -0.22 113.62 119.35 2bdi n SER 195 Ca 0.09 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.12 2bdi n SER 195 Cb 0.39 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 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 1.25 1.48 3.70 0.23 0.00 0.29 -1.62 105.19 110.52 2bdi n GLY 196 Ca 0.10 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 1.65 0.28 -0.02 0.00 0.70 -3.59 107.32 104.34 2bdi s GLY 197 Ca 0.00 0.25 -0.19 0.00 0.00 0.00 0.00 44.72 44.79 2bdi s GLY 197 CO 0.00 0.70 0.76 2.56 0.00 0.00 0.00 173.10 177.12 2bdi s PRO 198 N -4.79 4.20 -0.27 2.90 0.04 -1.26 -0.46 135.00 135.36 2bdi s PRO 198 Ca 0.64 0.86 0.01 0.00 0.04 0.00 0.00 61.00 62.55 2bdi s PRO 198 Cb -0.20 -2.69 0.08 0.00 0.04 0.00 0.00 34.50 31.73 2bdi s PRO 198 CO 0.58 0.28 0.00 -1.17 0.04 0.00 0.00 177.00 176.73 2bdi s LEU 199 N -2.37 2.89 -0.17 -3.56 2.96 -0.13 -3.32 118.68 114.97 2bdi s LEU 199 Ca 0.48 -1.46 -0.14 0.00 -0.22 0.00 0.00 54.13 52.79 2bdi s LEU 199 Cb -0.14 -1.18 -0.05 0.00 0.50 0.00 0.00 46.19 45.32 2bdi s LEU 199 CO 0.20 -0.31 0.30 -0.63 -1.32 0.00 0.00 176.35 174.59 2bdi s ILE 200 N 1.36 5.30 -0.22 6.68 -1.09 0.49 -0.11 121.20 133.61 2bdi s ILE 200 Ca 0.01 0.55 0.01 0.00 -2.23 0.00 0.00 60.65 58.99 2bdi s ILE 200 Cb -0.18 -3.64 0.05 0.00 -1.58 0.00 0.00 42.46 37.11 2bdi s ILE 200 CO -0.11 0.37 -0.10 0.00 -1.23 0.00 0.00 174.94 173.87 2bdi n ASN 202 N 4.62 -3.21 0.00 0.00 5.03 -1.26 -2.47 115.26 117.97 2bdi n ASN 202 Ca -0.14 -0.51 0.00 0.00 0.87 0.00 0.00 54.58 54.80 2bdi n ASN 202 Cb 0.45 -4.44 0.00 0.00 -1.02 0.00 0.00 39.78 34.77 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 -1.33 0.22 3.63 7.41 0.00 -1.26 -5.00 105.19 108.85 2bdi n GLY 203 Ca -0.17 0.00 -0.25 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 -1.47 2.72 -0.51 1.61 1.51 -1.03 -4.73 117.35 115.45 2bdi s TYR 208 Ca 0.00 -0.20 -0.28 0.00 -1.01 0.00 0.00 57.07 55.58 2bdi s TYR 208 Cb 0.00 -1.28 0.03 0.00 -0.11 0.00 0.00 41.96 40.60 2bdi s TYR 208 CO 0.00 0.55 1.12 -1.17 -1.11 0.00 0.00 175.55 174.95 2bdi s LEU 209 N -3.19 3.65 -0.17 -1.29 2.96 0.13 -1.32 118.68 119.44 2bdi s LEU 209 Ca 0.28 0.28 -0.05 0.00 -0.22 0.00 0.00 54.13 54.43 2bdi s LEU 209 Cb -0.08 -3.37 -0.23 0.00 0.50 0.00 0.00 46.19 43.01 2bdi s LEU 209 CO 0.18 -1.30 0.17 1.67 -1.32 0.00 0.00 176.35 175.75 2bdi n GLN 210 N 7.92 0.72 -3.65 1.98 -0.06 0.85 -0.27 117.38 124.86 2bdi n GLN 210 Ca 0.10 0.24 -0.10 0.00 -2.00 0.00 0.00 57.00 55.24 2bdi n GLN 210 Cb 0.49 -1.65 0.01 0.00 -4.06 0.00 0.00 30.24 25.03 2bdi n GLN 210 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2bdi n GLY 211 N 2.05 1.37 3.21 1.69 0.00 -0.88 -2.92 105.19 109.72 2bdi n GLY 211 Ca -0.37 -1.34 -0.27 0.00 0.00 0.00 0.00 46.02 44.04 2bdi n GLY 211 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bdi s LEU 212 N 0.00 2.05 -0.20 0.99 1.43 -1.22 -0.95 118.68 120.78 2bdi s LEU 212 Ca 0.18 -0.38 -0.29 0.00 -1.03 0.00 0.00 54.13 52.62 2bdi s LEU 212 Cb -0.04 -1.04 -0.05 0.00 0.03 0.00 0.00 46.19 45.10 2bdi s LEU 212 CO 0.14 0.24 2.01 -0.69 0.23 0.00 0.00 176.35 178.27 2bdi s VAL 213 N -0.50 3.20 0.00 -1.59 1.01 0.39 -1.24 120.40 121.67 2bdi s VAL 213 Ca 0.08 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.28 2bdi s VAL 213 Cb -0.08 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.06 2bdi s VAL 213 CO -0.01 -0.13 0.00 -0.24 0.00 0.00 0.00 175.10 174.73 2bdi n SER 214 N 10.23 0.00 -2.52 3.32 2.88 -1.07 0.10 113.62 126.57 2bdi n SER 214 Ca 0.25 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.71 2bdi n SER 214 Cb 0.45 -0.31 0.02 0.00 -0.75 0.00 0.00 64.21 63.61 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 -2.35 -2.08 0.00 0.66 1.16 -1.12 -4.88 117.46 108.85 2bdi n PHE 215 Ca 0.00 -1.61 0.00 0.00 -1.87 0.00 0.00 57.45 53.97 2bdi n PHE 215 Cb 0.00 0.76 0.00 0.00 -1.61 0.00 0.00 39.48 38.63 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 -0.45 0.89 3.70 4.97 0.00 -1.26 0.06 105.19 113.09 2bdi n GLY 216 Ca -0.07 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 44.88 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 1.38 0.09 1.61 1.02 -1.26 -5.02 119.74 115.56 2bdi s LYS 217 Ca 0.00 1.51 0.08 0.00 0.02 0.00 0.00 55.97 57.58 2bdi s LYS 217 Cb 0.00 -1.77 -0.03 0.00 -0.52 0.00 0.00 37.83 35.51 2bdi s LYS 217 CO 0.00 -2.36 -0.21 0.00 -0.92 0.00 0.00 175.35 171.86 2bdi s ALA 218 N -2.61 1.82 1.17 5.17 0.00 -1.26 -4.10 121.76 121.95 2bdi s ALA 218 Ca 0.67 -1.22 -0.17 0.00 0.00 0.00 0.00 51.96 51.23 2bdi s ALA 218 Cb -0.23 -0.27 0.27 0.00 0.00 0.00 0.00 23.12 22.90 2bdi s ALA 218 CO 0.56 0.37 1.07 -1.25 0.00 0.00 0.00 175.76 176.52 2bdi s PRO 219 N -1.79 -0.95 0.78 0.00 0.04 -1.26 -5.11 135.00 126.71 2bdi s PRO 219 Ca 0.07 0.21 -0.11 0.00 0.04 0.00 0.00 61.00 61.21 2bdi s PRO 219 Cb -0.10 -1.60 0.06 0.00 0.04 0.00 0.00 34.50 32.90 2bdi s PRO 219 CO 0.04 -3.59 1.09 0.00 0.04 0.00 0.00 177.00 174.58 2bdi n GLY 220 N -1.89 -0.42 3.79 0.00 0.00 -1.26 -4.97 105.19 100.44 2bdi n GLY 220 Ca 0.07 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 -5.26 4.48 0.22 1.61 -0.21 -1.26 -4.60 119.66 114.64 2bdi s GLN 221 Ca 0.13 1.10 -0.30 0.00 0.02 0.00 0.00 55.36 56.30 2bdi s GLN 221 Cb -0.06 -3.11 -0.10 0.00 1.00 0.00 0.00 33.01 30.74 2bdi s GLN 221 CO 0.16 0.50 1.46 0.08 -2.12 0.00 0.00 175.29 175.37 2bdi s VAL 222 N -1.30 2.72 0.00 1.09 1.01 -1.26 -1.88 120.40 120.78 2bdi s VAL 222 Ca 0.39 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.95 2bdi s VAL 222 Cb -0.21 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.80 2bdi s VAL 222 CO 0.25 0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.03 2bdi n GLY 223 N 2.68 0.80 2.78 4.51 0.00 0.42 -4.94 105.19 111.43 2bdi n GLY 223 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 2bdi n GLY 223 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bdi s VAL 224 N -3.12 1.56 0.90 1.61 1.01 -0.79 -5.03 120.40 116.54 2bdi s VAL 224 Ca 0.00 -2.44 -0.12 0.00 0.00 0.00 0.00 61.98 59.42 2bdi s VAL 224 Cb 0.00 -2.11 0.13 0.00 0.00 0.00 0.00 36.38 34.40 2bdi s VAL 224 CO 0.00 -0.81 1.10 -2.16 0.00 0.00 0.00 175.10 173.23 2bdi s PRO 225 N 0.54 1.26 0.37 2.72 0.04 -1.26 -4.29 135.00 134.38 2bdi s PRO 225 Ca 0.15 0.61 0.02 0.00 0.04 0.00 0.00 61.00 61.82 2bdi s PRO 225 Cb -0.23 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 2bdi s PRO 225 CO -0.05 -2.18 0.57 0.20 0.04 0.00 0.00 177.00 175.57 2bdi s GLY 226 N -3.67 1.45 -0.02 0.56 0.00 -1.06 -4.66 107.32 99.93 2bdi s GLY 226 Ca 0.63 -1.08 0.01 0.00 0.00 0.00 0.00 44.72 44.28 2bdi s GLY 226 CO 0.56 -0.98 -0.01 0.14 0.00 0.00 0.00 173.10 172.80 2bdi s VAL 227 N -2.35 4.12 0.03 1.40 1.01 0.11 -2.14 120.40 122.58 2bdi s VAL 227 Ca 0.43 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.91 2bdi s VAL 227 Cb -0.10 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 2bdi s VAL 227 CO 0.35 0.44 -0.09 -0.31 0.00 0.00 0.00 175.10 175.49 2bdi s TYR 228 N -1.02 0.80 0.12 5.22 1.51 0.44 -2.60 117.35 121.82 2bdi s TYR 228 Ca 0.18 -0.38 -0.31 0.00 -1.01 0.00 0.00 57.07 55.55 2bdi s TYR 228 Cb -0.11 -0.48 -0.08 0.00 -0.11 0.00 0.00 41.96 41.18 2bdi s TYR 228 CO 0.08 -0.03 1.46 0.99 -1.11 0.00 0.00 175.55 176.94 2bdi s THR 229 N -0.99 3.11 -1.27 -0.71 2.01 -0.37 -1.04 115.64 116.38 2bdi s THR 229 Ca -0.04 0.77 -0.16 0.00 0.31 0.00 0.00 61.69 62.57 2bdi s THR 229 Cb -0.08 -3.49 0.11 0.00 0.01 0.00 0.00 72.50 69.05 2bdi s THR 229 CO 0.01 0.05 1.63 -3.20 -0.69 0.00 0.00 174.62 172.41 2bdi n ASN 230 N 4.17 5.05 -0.22 3.53 5.15 -0.34 -3.40 115.26 129.19 2bdi n ASN 230 Ca 0.13 -2.94 0.13 0.00 -0.60 0.00 0.00 54.58 51.30 2bdi n ASN 230 Cb 0.41 -1.68 0.43 0.00 -0.53 0.00 0.00 39.78 38.41 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 11.41 0.54 0.00 1.20 3.38 -1.85 0.14 115.31 130.14 2bdi h LEU 231 Ca 0.40 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.40 2bdi h LEU 231 Cb 0.87 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2bdi h LEU 231 CO 1.38 0.28 0.06 0.00 0.09 0.00 0.00 178.44 180.24 2bdi n LYS 233 N -1.25 0.06 -0.36 0.00 4.76 0.50 -4.37 118.16 117.51 2bdi n LYS 233 Ca 0.00 -0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.51 2bdi n LYS 233 Cb 0.06 -1.52 0.16 0.00 -1.84 0.00 0.00 35.03 31.89 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 0.00 0.31 2.13 3.72 -0.13 -4.81 117.46 117.10 2bdi n PHE 234 Ca 0.04 -1.14 -0.17 0.00 -0.05 0.00 0.00 57.45 56.13 2bdi n PHE 234 Cb 0.35 -0.19 -0.09 0.00 -0.94 0.00 0.00 39.48 38.62 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 0.97 0.18 -0.58 4.37 1.35 -1.76 0.32 112.91 117.76 2bdi h THR 235 Ca -0.01 0.00 0.12 0.00 -0.55 0.00 0.00 66.41 65.97 2bdi h THR 235 Cb 1.05 0.18 -0.10 0.00 -1.73 0.00 0.00 68.15 67.55 2bdi h THR 235 CO 0.00 0.00 -0.01 -0.08 -0.25 0.00 0.00 175.52 175.18 2bdi h GLU 236 N -0.93 0.10 -0.01 4.72 4.81 -1.94 0.20 114.58 121.53 2bdi h GLU 236 Ca -0.06 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 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 0.02 0.07 0.01 2.35 -0.73 0.00 0.00 179.01 180.72 2bdi h TRP 237 N 0.11 0.02 -0.66 0.92 7.01 -1.84 0.62 115.95 122.13 2bdi h TRP 237 Ca 0.30 -0.00 0.11 0.00 2.11 0.00 0.00 58.89 61.40 2bdi h TRP 237 Cb 0.47 -0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 27.49 2bdi h TRP 237 CO -0.36 0.07 0.44 0.82 -2.79 0.00 0.00 178.44 176.62 2bdi h ILE 238 N -0.05 0.89 0.32 2.65 2.04 0.62 -2.20 117.51 121.78 2bdi h ILE 238 Ca 0.00 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 2bdi h ILE 238 Cb 0.06 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 2bdi h ILE 238 CO -0.00 0.08 -0.16 -0.08 0.00 0.00 0.00 178.15 178.00 2bdi h GLU 239 N 0.46 -0.42 -0.49 2.37 4.57 0.20 -1.70 114.58 119.58 2bdi h GLU 239 Ca 0.31 0.03 0.14 0.00 -1.18 0.00 0.00 59.36 58.66 2bdi h GLU 239 Cb 0.58 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.24 2bdi h GLU 239 CO -0.09 -0.22 0.63 -0.22 -1.18 0.00 0.00 179.01 177.93 2bdi h LYS 240 N -1.08 0.00 0.00 1.92 3.64 -0.73 -0.24 116.57 120.08 2bdi h LYS 240 Ca -0.04 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 2bdi h LYS 240 Cb 0.40 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 2bdi h LYS 240 CO 0.07 0.00 -0.52 1.15 -2.27 0.00 0.00 179.45 177.88 2bdi h THR 241 N 0.00 0.35 -0.70 1.00 2.02 -1.39 -3.14 112.91 111.06 2bdi h THR 241 Ca 0.23 -1.37 0.09 0.00 0.77 0.00 0.00 66.41 66.13 2bdi h THR 241 Cb 1.48 0.78 -0.07 0.00 -1.74 0.00 0.00 68.15 68.60 2bdi h THR 241 CO -0.00 0.12 0.34 0.58 0.37 0.00 0.00 175.52 176.93 2bdi h VAL 242 N -1.00 0.84 0.00 3.16 2.07 -0.44 -3.36 116.25 117.51 2bdi h VAL 242 Ca -0.08 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2bdi h VAL 242 Cb 0.62 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2bdi h VAL 242 CO -0.05 0.10 0.00 1.67 0.02 0.00 0.00 177.57 179.32 2bdi n GLN 243 N -4.88 0.00 0.00 1.57 -0.06 -0.18 -5.10 117.38 108.73 2bdi n GLN 243 Ca 0.11 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.11 2bdi n GLN 243 Cb 0.27 -0.05 0.00 0.00 -4.06 0.00 0.00 30.24 26.41 2bdi n GLN 243 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86