#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 4.71 -1.25 1.39 -1.09 0.17 -4.03 121.20 121.10 2bdi s ILE 17 Ca 0.00 -0.05 -0.03 0.00 -2.23 0.00 0.00 60.65 58.34 2bdi s ILE 17 Cb 0.00 -3.17 0.00 0.00 -1.58 0.00 0.00 42.46 37.72 2bdi s ILE 17 CO 0.00 0.39 1.06 0.59 -1.23 0.00 0.00 174.94 175.75 2bdi n ASN 18 N 4.18 -3.43 -0.19 3.58 5.03 -1.26 -2.26 115.26 120.91 2bdi n ASN 18 Ca -0.16 -0.59 0.00 0.00 0.87 0.00 0.00 54.58 54.70 2bdi n ASN 18 Cb 0.52 -5.08 0.00 0.00 -1.02 0.00 0.00 39.78 34.19 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 -1.41 7.52 3.29 7.41 0.00 -1.26 -4.82 105.19 115.92 2bdi n GLY 19 Ca -0.19 -2.04 -0.10 0.00 0.00 0.00 0.00 46.02 43.68 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 0.72 1.17 -0.07 1.61 2.02 -0.48 -4.94 118.70 118.73 2bdi s GLU 20 Ca 0.00 -1.37 -0.34 0.00 0.02 0.00 0.00 54.97 53.28 2bdi s GLU 20 Cb 0.00 0.33 -0.12 0.00 0.10 0.00 0.00 34.13 34.44 2bdi s GLU 20 CO 0.00 -0.40 1.87 -0.25 0.02 0.00 0.00 175.26 176.50 2bdi n ASP 21 N -0.22 3.46 -3.06 -0.19 9.92 -1.26 -0.85 116.55 124.35 2bdi n ASP 21 Ca -0.04 0.97 -0.16 0.00 -0.53 0.00 0.00 54.79 55.04 2bdi n ASP 21 Cb 0.64 -1.38 0.12 0.00 -0.64 0.00 0.00 41.12 39.86 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 -3.56 6.87 -0.40 0.00 0.15 -1.26 -4.88 113.70 110.61 2bdi s SER 23 Ca 0.41 1.21 -0.37 0.00 0.70 0.00 0.00 55.95 57.90 2bdi s SER 23 Cb -0.02 -2.54 -0.16 0.00 -1.71 0.00 0.00 66.02 61.59 2bdi s SER 23 CO 0.29 -0.91 1.38 -2.65 1.20 0.00 0.00 173.24 172.55 2bdi n PRO 24 N 6.93 0.00 -1.34 5.44 -0.02 -1.26 0.10 135.00 144.85 2bdi n PRO 24 Ca 0.13 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.50 2bdi n PRO 24 Cb 0.47 -1.20 -0.04 0.00 -0.02 0.00 0.00 33.50 32.70 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 3.85 -0.02 0.55 6.00 8.25 -1.26 -4.89 115.22 127.70 2bdi n HIS 25 Ca 0.29 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.87 2bdi n HIS 25 Cb -0.04 -2.04 0.45 0.00 1.12 0.00 0.00 29.99 29.48 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 0.26 0.55 -3.31 0.41 3.41 0.29 -3.88 113.62 111.36 2bdi n SER 26 Ca -0.11 0.60 -0.25 0.00 -0.26 0.00 0.00 58.87 58.84 2bdi n SER 26 Cb 0.36 -0.73 -0.08 0.00 -0.26 0.00 0.00 64.21 63.51 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 -2.07 1.61 0.00 4.33 1.13 -1.26 -4.98 117.38 116.14 2bdi n GLN 27 Ca 0.04 -3.94 0.00 0.00 -1.94 0.00 0.00 57.00 51.16 2bdi n GLN 27 Cb 0.30 -1.73 0.01 0.00 0.11 0.00 0.00 30.24 28.93 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 1.14 0.00 0.00 -1.09 -0.04 -1.25 -1.14 135.00 132.62 2bdi n PRO 28 Ca 0.25 0.47 0.12 0.00 -0.04 0.00 0.00 63.50 64.30 2bdi n PRO 28 Cb 0.47 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.73 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 -2.05 0.54 2.14 -1.03 -2.26 117.44 113.30 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 0.01 -0.18 -0.03 0.00 -0.81 0.00 0.00 31.31 30.30 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 -2.75 4.27 -0.13 -2.67 2.00 -0.29 -1.15 119.66 118.93 2bdi s GLN 30 Ca 0.18 2.21 0.02 0.00 -2.00 0.00 0.00 55.36 55.77 2bdi s GLN 30 Cb 0.18 -3.21 -0.00 0.00 0.80 0.00 0.00 33.01 30.78 2bdi s GLN 30 CO 0.61 -0.52 -0.19 0.00 -0.50 0.00 0.00 175.29 174.69 2bdi s ALA 31 N 1.16 2.38 -0.09 1.58 0.00 -0.10 -4.33 121.76 122.36 2bdi s ALA 31 Ca 0.67 -1.01 -0.10 0.00 0.00 0.00 0.00 51.96 51.52 2bdi s ALA 31 Cb -0.40 -1.06 -0.05 0.00 0.00 0.00 0.00 23.12 21.61 2bdi s ALA 31 CO 0.31 0.11 0.24 0.00 0.00 0.00 0.00 175.76 176.41 2bdi s ALA 32 N 0.60 3.79 -0.30 0.00 0.00 -0.72 0.19 121.76 125.33 2bdi s ALA 32 Ca -0.10 -0.50 -0.04 0.00 0.00 0.00 0.00 51.96 51.32 2bdi s ALA 32 Cb -0.16 -2.15 0.04 0.00 0.00 0.00 0.00 23.12 20.84 2bdi s ALA 32 CO 0.03 0.50 0.03 -0.51 0.00 0.00 0.00 175.76 175.81 2bdi s LEU 33 N -0.82 3.85 0.08 0.00 1.02 -1.04 -0.74 118.68 121.02 2bdi s LEU 33 Ca 0.17 -1.06 0.08 0.00 0.02 0.00 0.00 54.13 53.34 2bdi s LEU 33 Cb -0.13 -1.77 -0.04 0.00 0.02 0.00 0.00 46.19 44.27 2bdi s LEU 33 CO 0.07 -0.24 -0.17 0.68 0.02 0.00 0.00 176.35 176.70 2bdi s VAL 34 N 1.35 2.87 0.00 -1.59 -7.23 -1.15 -1.48 120.40 113.17 2bdi s VAL 34 Ca -0.02 -1.33 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 2bdi s VAL 34 Cb -0.19 -2.27 0.00 0.00 0.56 0.00 0.00 36.38 34.48 2bdi s VAL 34 CO -0.00 0.21 0.00 0.23 -0.31 0.00 0.00 175.10 175.23 2bdi n MET 35 N 1.15 3.78 -0.27 4.82 2.81 0.75 -3.79 117.12 126.36 2bdi n MET 35 Ca -0.16 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.68 2bdi n MET 35 Cb 0.52 0.00 -0.03 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 -0.24 -0.50 0.03 4.71 -1.26 -3.61 120.64 119.77 2bdi n GLU 36 Ca 0.00 1.00 -0.00 0.00 -0.01 0.00 0.00 57.16 58.15 2bdi n GLU 36 Cb 0.00 -1.48 -0.00 0.00 -1.01 0.00 0.00 31.44 28.95 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 -4.88 -0.01 -4.12 1.62 4.13 -1.26 -5.13 115.26 105.61 2bdi n ASN 37 Ca 0.03 -1.14 -0.09 0.00 1.68 0.00 0.00 54.58 55.07 2bdi n ASN 37 Cb 0.20 -0.02 -0.10 0.00 -1.54 0.00 0.00 39.78 38.32 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 0.70 0.02 3.52 2.12 -1.24 -5.13 118.70 118.70 2bdi s GLU 38 Ca 0.00 -1.25 -0.26 0.00 0.36 0.00 0.00 54.97 53.82 2bdi s GLU 38 Cb 0.00 0.03 -0.05 0.00 0.26 0.00 0.00 34.13 34.37 2bdi s GLU 38 CO -0.00 -0.07 0.82 -1.17 -0.54 0.00 0.00 175.26 174.30 2bdi s LEU 40 N -2.93 4.42 0.00 2.70 1.98 -1.26 -0.18 118.68 123.40 2bdi s LEU 40 Ca 0.08 1.48 0.00 0.00 -2.89 0.00 0.00 54.13 52.80 2bdi s LEU 40 Cb 0.06 -3.31 0.00 0.00 0.66 0.00 0.00 46.19 43.60 2bdi s LEU 40 CO -0.07 -0.07 0.00 2.22 -1.89 0.00 0.00 176.35 176.53 2bdi n PHE 41 N 3.19 0.00 -3.21 5.38 -1.74 -0.55 -4.95 117.46 115.59 2bdi n PHE 41 Ca -0.00 0.00 -0.02 0.00 -0.56 0.00 0.00 57.45 56.87 2bdi n PHE 41 Cb 0.50 0.00 0.01 0.00 1.52 0.00 0.00 39.48 41.51 2bdi n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2bdi s SER 43 N -1.46 0.48 0.35 0.00 0.01 -0.90 -2.51 113.70 109.68 2bdi s SER 43 Ca 0.04 -1.33 -0.12 0.00 1.31 0.00 0.00 55.95 55.85 2bdi s SER 43 Cb -0.01 0.54 0.03 0.00 0.21 0.00 0.00 66.02 66.79 2bdi s SER 43 CO 0.02 -1.09 0.65 -0.83 0.41 0.00 0.00 173.24 172.41 2bdi s GLY 44 N -3.17 0.72 -0.06 3.44 0.00 0.13 -4.13 107.32 104.24 2bdi s GLY 44 Ca 0.32 -0.98 0.02 0.00 0.00 0.00 0.00 44.72 44.08 2bdi s GLY 44 CO 0.15 -0.55 -0.09 0.14 0.00 0.00 0.00 173.10 172.76 2bdi s VAL 45 N -2.84 0.91 -0.58 1.40 1.01 0.35 -0.92 120.40 119.73 2bdi s VAL 45 Ca 0.21 -0.34 -0.27 0.00 0.00 0.00 0.00 61.98 61.57 2bdi s VAL 45 Cb -0.03 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 2bdi s VAL 45 CO 0.14 0.31 1.66 -0.22 0.00 0.00 0.00 175.10 176.99 2bdi s LEU 46 N 0.81 3.33 0.00 3.92 2.96 -0.30 0.36 118.68 129.75 2bdi s LEU 46 Ca -0.12 0.33 0.19 0.00 -0.22 0.00 0.00 54.13 54.31 2bdi s LEU 46 Cb -0.15 -2.78 0.35 0.00 0.50 0.00 0.00 46.19 44.11 2bdi s LEU 46 CO 0.02 -2.06 1.29 1.33 -1.32 0.00 0.00 176.35 175.61 2bdi n VAL 47 N 7.03 0.53 -3.57 1.68 0.24 -0.95 -1.56 118.33 121.73 2bdi n VAL 47 Ca 0.16 -0.76 -0.06 0.00 -2.04 0.00 0.00 64.34 61.64 2bdi n VAL 47 Cb 0.50 0.93 -0.02 0.00 -1.47 0.00 0.00 33.84 33.78 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 -1.29 -0.21 0.39 6.34 5.65 -1.20 -4.74 115.29 120.22 2bdi s HIS 48 Ca 0.32 0.16 0.10 0.00 0.25 0.00 0.00 55.06 55.89 2bdi s HIS 48 Cb 0.19 0.52 0.88 0.00 -1.18 0.00 0.00 32.58 32.99 2bdi s HIS 48 CO 0.26 -0.32 1.94 -1.35 -0.65 0.00 0.00 174.74 174.62 2bdi h PRO 49 N 2.04 0.58 -0.14 2.88 0.11 -1.92 -2.86 132.00 132.69 2bdi h PRO 49 Ca -0.14 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.92 2bdi h PRO 49 Cb 1.19 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2bdi h PRO 49 CO 0.26 0.38 -0.05 0.94 -0.21 0.00 0.00 178.00 179.33 2bdi n GLN 50 N -4.49 2.02 -3.77 1.05 7.27 -1.26 -1.56 117.38 116.64 2bdi n GLN 50 Ca 0.12 -2.81 -0.15 0.00 0.07 0.00 0.00 57.00 54.24 2bdi n GLN 50 Cb 0.37 -1.68 -0.16 0.00 2.41 0.00 0.00 30.24 31.18 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 -2.93 0.00 -0.20 3.69 0.52 -1.08 -1.44 118.94 117.51 2bdi s TRP 51 Ca 0.38 0.18 -0.03 0.00 0.02 0.00 0.00 56.10 56.65 2bdi s TRP 51 Cb 0.33 -0.21 -0.01 0.00 -1.15 0.00 0.00 33.47 32.43 2bdi s TRP 51 CO 0.04 -0.10 -0.07 0.08 0.02 0.00 0.00 176.95 176.92 2bdi s VAL 52 N 1.07 3.20 0.16 4.03 1.01 0.25 -2.25 120.40 127.87 2bdi s VAL 52 Ca -0.09 -0.56 -0.21 0.00 0.00 0.00 0.00 61.98 61.13 2bdi s VAL 52 Cb -0.13 -2.43 -0.08 0.00 0.00 0.00 0.00 36.38 33.75 2bdi s VAL 52 CO -0.03 0.46 0.68 -0.22 0.00 0.00 0.00 175.10 175.98 2bdi s LEU 53 N 1.22 4.46 0.00 3.92 2.96 0.16 -0.30 118.68 131.09 2bdi s LEU 53 Ca 0.02 1.40 -0.09 0.00 -0.22 0.00 0.00 54.13 55.25 2bdi s LEU 53 Cb -0.14 -3.29 0.03 0.00 0.50 0.00 0.00 46.19 43.29 2bdi s LEU 53 CO -0.03 0.15 0.47 -0.24 -1.32 0.00 0.00 176.35 175.38 2bdi n SER 54 N 1.23 -1.36 -4.69 3.68 2.88 0.48 0.13 113.62 115.96 2bdi n SER 54 Ca -0.06 -1.95 -0.41 0.00 -1.33 0.00 0.00 58.87 55.13 2bdi n SER 54 Cb 0.50 2.27 -0.04 0.00 -0.75 0.00 0.00 64.21 66.19 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 -1.65 3.38 0.46 -1.46 0.00 -1.26 0.89 121.76 122.13 2bdi s ALA 55 Ca 0.09 0.16 0.28 0.00 0.00 0.00 0.00 51.96 52.50 2bdi s ALA 55 Cb -0.03 -3.14 1.35 0.00 0.00 0.00 0.00 23.12 21.30 2bdi s ALA 55 CO 0.07 -0.37 1.72 0.00 0.00 0.00 0.00 175.76 177.19 2bdi h ALA 56 N 7.02 2.71 0.00 0.00 0.00 -1.61 0.30 119.26 127.67 2bdi h ALA 56 Ca -0.36 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2bdi h ALA 56 Cb 1.17 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2bdi h ALA 56 CO 0.79 -1.17 0.00 -2.39 0.00 0.00 0.00 179.25 176.47 2bdi n HIS 57 N -4.49 0.00 -0.05 0.00 1.44 -1.26 -2.26 115.22 108.60 2bdi n HIS 57 Ca 0.30 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 56.05 2bdi n HIS 57 Cb 1.21 -0.04 0.09 0.00 0.12 0.00 0.00 29.99 31.37 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 0.22 1.97 -4.17 0.00 7.35 -0.96 -5.02 117.46 116.85 2bdi n PHE 59 Ca 0.07 0.57 -0.14 0.00 -0.76 0.00 0.00 57.45 57.19 2bdi n PHE 59 Cb 0.34 -2.38 -0.07 0.00 0.35 0.00 0.00 39.48 37.71 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 -1.42 1.57 0.06 -4.13 -1.52 -1.26 -5.05 119.66 107.91 2bdi s GLN 60 Ca 0.60 -1.71 0.12 0.00 -1.95 0.00 0.00 55.36 52.41 2bdi s GLN 60 Cb -0.63 0.35 -0.18 0.00 -0.22 0.00 0.00 33.01 32.34 2bdi s GLN 60 CO 0.59 -0.59 0.99 -0.91 -0.25 0.00 0.00 175.29 175.11 2bdi h ASN 61 N 2.32 0.00 -4.10 5.90 2.35 -1.96 -3.46 115.58 116.63 2bdi h ASN 61 Ca -0.30 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.33 2bdi h ASN 61 Cb 1.24 0.00 -0.23 0.00 0.05 0.00 0.00 38.32 39.38 2bdi h ASN 61 CO 0.43 0.88 -0.23 -0.94 -1.65 0.00 0.00 177.43 175.91 2bdi s SER 62 N -6.29 -0.39 0.24 5.81 1.04 -1.26 -4.59 113.70 108.25 2bdi s SER 62 Ca -0.01 0.69 0.11 0.00 0.48 0.00 0.00 55.95 57.22 2bdi s SER 62 Cb 0.09 0.73 -0.05 0.00 0.10 0.00 0.00 66.02 66.90 2bdi s SER 62 CO 0.81 -0.21 -0.18 -0.31 0.98 0.00 0.00 173.24 174.33 2bdi s TYR 63 N -0.08 2.37 -0.61 5.02 1.51 -0.13 -5.00 117.35 120.43 2bdi s TYR 63 Ca -0.03 -0.32 0.04 0.00 -1.01 0.00 0.00 57.07 55.76 2bdi s TYR 63 Cb -0.03 -1.09 0.15 0.00 -0.11 0.00 0.00 41.96 40.88 2bdi s TYR 63 CO 0.01 0.62 0.38 0.99 -1.11 0.00 0.00 175.55 176.44 2bdi s THR 64 N -2.13 2.63 0.04 -0.71 2.01 -1.25 -2.58 115.64 113.65 2bdi s THR 64 Ca 0.27 -3.76 -0.30 0.00 0.31 0.00 0.00 61.69 58.20 2bdi s THR 64 Cb -0.06 -2.77 -0.04 0.00 0.01 0.00 0.00 72.50 69.63 2bdi s THR 64 CO 0.14 -0.92 0.99 -0.63 -0.69 0.00 0.00 174.62 173.51 2bdi s ILE 65 N -0.85 4.68 -0.26 1.82 1.01 -0.98 -2.95 121.20 123.67 2bdi s ILE 65 Ca 0.21 2.01 -0.06 0.00 0.00 0.00 0.00 60.65 62.82 2bdi s ILE 65 Cb -0.14 -4.29 -0.01 0.00 0.01 0.00 0.00 42.46 38.03 2bdi s ILE 65 CO -0.09 0.21 0.04 -0.83 0.00 0.00 0.00 174.94 174.27 2bdi s GLY 66 N 0.69 1.73 0.22 6.18 0.00 0.08 -1.88 107.32 114.34 2bdi s GLY 66 Ca 0.51 -1.28 0.06 0.00 0.00 0.00 0.00 44.72 44.02 2bdi s GLY 66 CO 0.29 0.55 0.18 1.08 0.00 0.00 0.00 173.10 175.20 2bdi s LEU 67 N 1.53 3.81 -1.67 0.66 1.43 -0.64 -1.75 118.68 122.04 2bdi s LEU 67 Ca 0.05 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 2bdi s LEU 67 Cb -0.16 -2.36 0.00 0.00 0.03 0.00 0.00 46.19 43.70 2bdi s LEU 67 CO 0.01 -0.00 0.00 0.61 0.23 0.00 0.00 176.35 177.20 2bdi n GLY 69 N -0.91 1.58 3.95 -3.19 0.00 -1.26 -1.82 105.19 103.54 2bdi n GLY 69 Ca -0.08 -0.20 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.59 2.92 0.00 0.99 1.43 -1.26 -4.13 118.68 115.05 2bdi s LEU 70 Ca 0.00 0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 2bdi s LEU 70 Cb 0.00 -2.80 0.00 0.00 0.03 0.00 0.00 46.19 43.42 2bdi s LEU 70 CO 0.00 -1.65 0.00 1.57 0.23 0.00 0.00 176.35 176.50 2bdi n HIS 71 N -2.87 -0.20 -4.30 0.29 -0.00 -1.26 -4.68 115.22 102.20 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 -0.09 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 -2.56 4.29 0.54 0.26 1.04 -1.26 -1.52 113.70 114.48 2bdi s SER 72 Ca 0.00 -0.62 0.32 0.00 0.48 0.00 0.00 55.95 56.13 2bdi s SER 72 Cb 0.00 -0.73 1.43 0.00 0.10 0.00 0.00 66.02 66.82 2bdi s SER 72 CO 0.00 0.08 2.02 -0.07 0.98 0.00 0.00 173.24 176.25 2bdi h LEU 73 N 2.63 0.00 -7.69 2.42 3.38 -1.95 -3.38 115.31 110.72 2bdi h LEU 73 Ca -0.46 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.22 2bdi h LEU 73 Cb 1.22 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.98 2bdi h LEU 73 CO 0.56 0.08 0.92 -0.62 0.09 0.00 0.00 178.44 179.47 2bdi n GLU 74 N -3.28 0.90 -0.32 1.13 -0.58 -1.26 -4.80 120.64 112.43 2bdi n GLU 74 Ca -0.01 -1.96 0.21 0.00 -0.42 0.00 0.00 57.16 54.98 2bdi n GLU 74 Cb 0.29 -3.55 0.41 0.00 -0.57 0.00 0.00 31.44 28.02 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 -1.42 119.26 128.07 2bdi h ALA 74 Ca 0.18 0.25 -0.27 0.00 0.00 0.00 0.00 54.91 55.07 2bdi h ALA 74 Cb 0.89 0.35 -0.10 0.00 0.00 0.00 0.00 17.79 18.93 2bdi h ALA 74 CO 1.35 -0.64 0.02 -0.40 0.00 0.00 0.00 179.25 179.58 2bdi n ASP 75 N -5.25 5.80 0.00 0.00 5.75 -1.26 -2.03 116.55 119.55 2bdi n ASP 75 Ca 0.28 -2.77 0.00 0.00 -0.01 0.00 0.00 54.79 52.30 2bdi n ASP 75 Cb 0.93 -1.27 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 1.56 0.00 -3.95 0.11 6.02 -0.53 -5.05 117.38 115.54 2bdi n GLN 76 Ca 0.36 -0.01 -0.30 0.00 -0.01 0.00 0.00 57.00 57.04 2bdi n GLN 76 Cb 0.70 -0.18 -0.16 0.00 1.02 0.00 0.00 30.24 31.62 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 1.77 0.00 -1.09 0.41 -0.86 -5.03 118.70 113.90 2bdi s GLU 77 Ca 0.00 -0.72 0.00 0.00 -0.41 0.00 0.00 54.97 53.84 2bdi s GLU 77 Cb 0.00 -2.27 0.00 0.00 -1.78 0.00 0.00 34.13 30.08 2bdi s GLU 77 CO 0.00 -0.44 0.00 -2.30 -0.49 0.00 0.00 175.26 172.03 2bdi n PRO 78 N 4.76 0.00 0.00 0.39 -0.02 -1.26 -2.81 135.00 136.06 2bdi n PRO 78 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 2bdi n PRO 78 Cb 0.47 -0.24 0.00 0.00 -0.02 0.00 0.00 33.50 33.71 2bdi n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bdi n GLY 79 N 0.00 0.00 3.75 -1.23 0.00 -1.26 -4.74 105.19 101.70 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 -1.61 5.19 -0.14 1.61 1.04 -1.12 -4.73 113.70 113.94 2bdi s SER 80 Ca 0.00 2.58 -0.04 0.00 0.48 0.00 0.00 55.95 58.97 2bdi s SER 80 Cb 0.00 -2.62 0.06 0.00 0.10 0.00 0.00 66.02 63.56 2bdi s SER 80 CO 0.00 -1.61 0.14 -1.10 0.98 0.00 0.00 173.24 171.65 2bdi s GLN 81 N -3.11 0.07 -1.26 4.02 -0.21 -0.76 -4.99 119.66 113.42 2bdi s GLN 81 Ca 0.75 0.21 -0.13 0.00 0.02 0.00 0.00 55.36 56.21 2bdi s GLN 81 Cb -0.36 -1.11 0.15 0.00 1.00 0.00 0.00 33.01 32.69 2bdi s GLN 81 CO 0.40 -0.53 1.64 -1.33 -2.12 0.00 0.00 175.29 173.35 2bdi n MET 82 N 5.30 3.38 -1.41 2.91 2.81 -1.26 -1.62 117.12 127.22 2bdi n MET 82 Ca -0.05 -3.61 -0.30 0.00 -1.81 0.00 0.00 57.70 51.93 2bdi n MET 82 Cb 0.49 -3.10 0.19 0.00 -0.71 0.00 0.00 33.22 30.10 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 1.77 1.83 0.11 2.03 -7.23 -0.79 -4.88 120.40 113.25 2bdi s VAL 83 Ca 0.44 0.00 0.05 0.00 -1.81 0.00 0.00 61.98 60.66 2bdi s VAL 83 Cb 0.02 -2.68 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 2bdi s VAL 83 CO 0.01 0.00 -0.11 -1.61 -0.31 0.00 0.00 175.10 173.07 2bdi s GLU 84 N -5.46 0.94 0.19 4.82 2.02 -1.26 -2.33 118.70 117.62 2bdi s GLU 84 Ca 0.69 -1.22 -0.22 0.00 0.02 0.00 0.00 54.97 54.24 2bdi s GLU 84 Cb -0.10 -0.68 0.05 0.00 0.10 0.00 0.00 34.13 33.50 2bdi s GLU 84 CO 0.55 0.11 0.61 0.00 0.02 0.00 0.00 175.26 176.55 2bdi s ALA 85 N -2.44 -1.41 0.00 5.21 0.00 -1.07 -1.13 121.76 120.92 2bdi s ALA 85 Ca 0.08 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.25 2bdi s ALA 85 Cb -0.03 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.96 2bdi s ALA 85 CO 0.01 -0.82 0.00 -1.13 0.00 0.00 0.00 175.76 173.82 2bdi n SER 86 N -0.38 0.00 -4.57 0.00 3.41 -1.26 -0.96 113.62 109.86 2bdi n SER 86 Ca -0.13 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.05 2bdi n SER 86 Cb 0.63 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.54 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 0.01 1.04 0.20 -1.26 -4.68 118.68 118.03 2bdi s LEU 87 Ca 0.00 0.15 0.08 0.00 0.69 0.00 0.00 54.13 55.05 2bdi s LEU 87 Cb 0.00 -3.16 -0.03 0.00 -0.43 0.00 0.00 46.19 42.57 2bdi s LEU 87 CO 0.00 -0.99 -0.22 -0.94 -0.29 0.00 0.00 176.35 173.90 2bdi s SER 88 N 2.18 3.41 -0.28 3.68 1.04 -1.26 -0.96 113.70 121.51 2bdi s SER 88 Ca 0.36 -0.46 0.02 0.00 0.48 0.00 0.00 55.95 56.36 2bdi s SER 88 Cb -0.11 -0.47 0.08 0.00 0.10 0.00 0.00 66.02 65.63 2bdi s SER 88 CO 0.24 0.29 -0.02 -0.69 0.98 0.00 0.00 173.24 174.05 2bdi s VAL 89 N -0.76 1.88 0.53 5.02 1.01 0.13 -4.99 120.40 123.22 2bdi s VAL 89 Ca 0.12 -1.73 -0.17 0.00 0.00 0.00 0.00 61.98 60.21 2bdi s VAL 89 Cb -0.10 -2.21 -0.07 0.00 0.00 0.00 0.00 36.38 34.00 2bdi s VAL 89 CO 0.02 -0.31 1.01 -0.13 0.00 0.00 0.00 175.10 175.68 2bdi s ARG 90 N 1.18 3.79 0.24 2.72 0.52 -1.26 -1.61 118.95 124.52 2bdi s ARG 90 Ca 0.01 1.05 -0.30 0.00 -0.52 0.00 0.00 55.73 55.97 2bdi s ARG 90 Cb -0.19 -2.11 -0.09 0.00 0.52 0.00 0.00 34.95 33.08 2bdi s ARG 90 CO -0.09 -0.41 1.31 -1.58 0.02 0.00 0.00 175.30 174.55 2bdi s HIS 91 N -2.53 3.20 0.23 -0.53 5.65 -0.89 -4.91 115.29 115.52 2bdi s HIS 91 Ca 0.61 1.27 -0.07 0.00 0.25 0.00 0.00 55.06 57.12 2bdi s HIS 91 Cb -0.12 -3.63 0.38 0.00 -1.18 0.00 0.00 32.58 28.04 2bdi s HIS 91 CO 0.31 -1.89 1.30 -2.30 -0.65 0.00 0.00 174.74 171.51 2bdi n PRO 92 N 2.08 -0.08 -0.39 2.88 -0.02 -1.26 -0.34 135.00 137.87 2bdi n PRO 92 Ca 0.04 1.30 0.07 0.00 -2.02 0.00 0.00 63.50 62.89 2bdi n PRO 92 Cb 0.42 -1.94 0.24 0.00 -0.02 0.00 0.00 33.50 32.20 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 -5.36 2.74 -1.63 -0.52 -0.58 -1.26 -4.98 120.64 109.06 2bdi n GLU 93 Ca 0.13 -1.90 -0.41 0.00 -0.42 0.00 0.00 57.16 54.56 2bdi n GLU 93 Cb 0.42 -1.64 0.01 0.00 -0.57 0.00 0.00 31.44 29.66 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 0.73 1.33 -1.26 -0.32 9.36 0.54 -2.17 117.16 125.37 2bdi n TYR 94 Ca 0.17 0.55 -0.09 0.00 3.32 0.00 0.00 57.90 61.85 2bdi n TYR 94 Cb 0.61 -2.25 -0.04 0.00 -0.63 0.00 0.00 39.34 37.02 2bdi n TYR 94 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2bdi n ASN 95 N 0.43 -5.74 -3.66 2.98 2.85 0.33 -4.92 115.26 107.53 2bdi n ASN 95 Ca 0.09 0.23 -0.29 0.00 -0.11 0.00 0.00 54.58 54.49 2bdi n ASN 95 Cb 0.39 -4.04 -0.14 0.00 1.24 0.00 0.00 39.78 37.23 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 -2.75 0.64 1.11 1.20 1.81 -0.92 -2.76 118.95 117.28 2bdi s ARG 96 Ca 0.00 -1.08 -0.15 0.00 -1.72 0.00 0.00 55.73 52.78 2bdi s ARG 96 Cb 0.00 -1.76 0.24 0.00 -0.45 0.00 0.00 34.95 32.98 2bdi s ARG 96 CO 0.00 -1.04 1.08 -2.14 -0.68 0.00 0.00 175.30 172.52 2bdi s PRO 97 N 1.52 -0.45 0.06 3.54 0.02 -1.26 -4.87 135.00 133.56 2bdi s PRO 97 Ca 0.11 0.39 -0.37 0.00 0.02 0.00 0.00 61.00 61.15 2bdi s PRO 97 Cb -0.18 -1.65 -0.17 0.00 0.02 0.00 0.00 34.50 32.52 2bdi s PRO 97 CO -0.22 -3.29 1.37 -0.11 -0.33 0.00 0.00 177.00 174.41 2bdi n LEU 98 N -4.55 1.67 0.00 -5.54 7.94 -1.11 -0.61 117.00 114.80 2bdi n LEU 98 Ca 0.07 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.08 2bdi n LEU 98 Cb 0.58 -1.18 0.00 0.00 0.53 0.00 0.00 43.42 43.34 2bdi n LEU 98 CO 0.54 -1.02 0.00 0.18 -1.11 0.00 0.00 177.39 175.98 2bdi n LEU 99 N 2.72 0.00 -4.79 -1.96 4.77 -1.26 -4.94 117.00 111.53 2bdi n LEU 99 Ca 0.19 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.88 2bdi n LEU 99 Cb 0.18 -0.09 0.13 0.00 -2.33 0.00 0.00 43.42 41.31 2bdi n LEU 99 CO 0.64 0.00 0.72 0.00 -1.33 0.00 0.00 177.39 177.41 2bdi s ALA 100 N -1.94 1.88 -1.51 -1.18 0.00 0.22 -4.18 121.76 115.06 2bdi s ALA 100 Ca 0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 51.96 51.43 2bdi s ALA 100 Cb 0.00 -3.04 0.04 0.00 0.00 0.00 0.00 23.12 20.12 2bdi s ALA 100 CO 0.00 -2.18 0.41 0.09 0.00 0.00 0.00 175.76 174.09 2bdi n ASN 101 N -3.70 -0.70 -2.21 0.00 4.13 -1.26 -0.51 115.26 111.01 2bdi n ASN 101 Ca 0.07 -1.07 -0.15 0.00 1.68 0.00 0.00 54.58 55.11 2bdi n ASN 101 Cb 0.59 -2.67 -0.14 0.00 -1.54 0.00 0.00 39.78 36.02 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 -2.89 5.38 -4.34 6.41 -0.08 -1.26 -4.22 116.55 115.55 2bdi n ASP 102 Ca -0.23 -2.43 -0.24 0.00 -1.51 0.00 0.00 54.79 50.38 2bdi n ASP 102 Cb 0.64 -1.35 -0.12 0.00 2.34 0.00 0.00 41.12 42.63 2bdi n ASP 102 CO 0.00 0.00 0.00 -1.48 0.12 0.00 0.00 177.20 175.84 2bdi s LEU 103 N 0.02 2.39 -0.12 -2.67 2.34 -1.26 -2.49 118.68 116.89 2bdi s LEU 103 Ca 0.63 -0.81 -0.09 0.00 0.06 0.00 0.00 54.13 53.93 2bdi s LEU 103 Cb 0.28 -0.93 0.04 0.00 -0.56 0.00 0.00 46.19 45.02 2bdi s LEU 103 CO -0.01 0.03 0.30 -0.32 -1.06 0.00 0.00 176.35 175.30 2bdi s MET 104 N -2.49 0.31 -0.16 1.48 1.75 0.26 -2.10 119.30 118.35 2bdi s MET 104 Ca 0.14 0.53 -0.14 0.00 -1.25 0.00 0.00 55.69 54.96 2bdi s MET 104 Cb -0.08 0.04 -0.05 0.00 2.84 0.00 0.00 34.83 37.59 2bdi s MET 104 CO 0.07 -0.10 0.32 -0.51 -0.65 0.00 0.00 175.02 174.14 2bdi s LEU 105 N 0.75 4.23 -0.22 4.11 1.43 -0.63 -0.39 118.68 127.96 2bdi s LEU 105 Ca -0.05 0.53 -0.06 0.00 -1.03 0.00 0.00 54.13 53.53 2bdi s LEU 105 Cb -0.06 -2.42 -0.02 0.00 0.03 0.00 0.00 46.19 43.72 2bdi s LEU 105 CO -0.05 0.07 0.02 -0.63 0.23 0.00 0.00 176.35 175.98 2bdi s ILE 106 N 0.59 3.98 -0.26 -0.59 1.01 0.59 0.20 121.20 126.72 2bdi s ILE 106 Ca 0.18 -0.29 -0.19 0.00 0.00 0.00 0.00 60.65 60.34 2bdi s ILE 106 Cb -0.13 -2.82 -0.02 0.00 0.01 0.00 0.00 42.46 39.49 2bdi s ILE 106 CO 0.05 0.40 0.57 -0.75 0.00 0.00 0.00 174.94 175.21 2bdi s LYS 107 N 1.26 4.06 0.42 2.79 2.20 -0.13 -0.59 119.74 129.75 2bdi s LYS 107 Ca 0.04 0.39 -0.23 0.00 -0.36 0.00 0.00 55.97 55.81 2bdi s LYS 107 Cb -0.15 -3.66 -0.08 0.00 -1.51 0.00 0.00 37.83 32.43 2bdi s LYS 107 CO 0.01 -0.40 1.08 -0.51 -0.36 0.00 0.00 175.35 175.18 2bdi s LEU 108 N 2.41 4.08 0.06 5.43 1.43 -0.52 -4.02 118.68 127.55 2bdi s LEU 108 Ca 0.23 2.10 -0.34 0.00 -1.03 0.00 0.00 54.13 55.10 2bdi s LEU 108 Cb -0.16 -4.23 -0.18 0.00 0.03 0.00 0.00 46.19 41.65 2bdi s LEU 108 CO 0.09 -0.63 1.51 0.44 0.23 0.00 0.00 176.35 177.99 2bdi h ASP 109 N 2.29 -1.09 -3.43 2.29 3.45 -1.47 -3.40 116.42 115.06 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 1.22 0.31 -0.26 0.00 -0.56 0.00 0.00 39.33 40.04 2bdi h ASP 109 CO 0.61 -0.71 -0.70 -0.70 -1.57 0.00 0.00 179.24 176.18 2bdi s GLU 110 N -5.64 3.46 0.24 3.56 2.12 -1.26 -5.08 118.70 116.09 2bdi s GLU 110 Ca -0.17 -0.59 -0.30 0.00 0.36 0.00 0.00 54.97 54.27 2bdi s GLU 110 Cb 0.02 -3.04 -0.15 0.00 0.26 0.00 0.00 34.13 31.23 2bdi s GLU 110 CO 0.54 -0.13 1.06 0.45 -0.54 0.00 0.00 175.26 176.64 2bdi n SER 111 N 4.63 1.28 -4.96 -1.70 2.88 -1.26 -4.95 113.62 109.54 2bdi n SER 111 Ca -0.18 1.16 -0.22 0.00 -1.33 0.00 0.00 58.87 58.30 2bdi n SER 111 Cb 0.51 -1.26 -0.01 0.00 -0.75 0.00 0.00 64.21 62.71 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 -0.71 4.78 -0.32 2.46 -7.23 -0.60 -4.97 120.40 113.81 2bdi s VAL 112 Ca 0.64 -0.64 -0.10 0.00 -1.81 0.00 0.00 61.98 60.07 2bdi s VAL 112 Cb -0.76 -3.73 -0.00 0.00 0.56 0.00 0.00 36.38 32.45 2bdi s VAL 112 CO 0.57 -0.42 0.16 -0.44 -0.31 0.00 0.00 175.10 174.66 2bdi s SER 113 N -4.08 5.57 -0.67 4.85 0.01 -1.26 -4.80 113.70 113.31 2bdi s SER 113 Ca 0.41 -0.60 -0.30 0.00 1.31 0.00 0.00 55.95 56.77 2bdi s SER 113 Cb -0.10 -2.00 -0.14 0.00 0.21 0.00 0.00 66.02 63.99 2bdi s SER 113 CO 0.34 -0.22 2.49 -0.62 0.41 0.00 0.00 173.24 175.64 2bdi n GLU 114 N 4.98 0.62 -0.21 12.44 1.02 -1.26 -4.90 120.64 133.32 2bdi n GLU 114 Ca -0.14 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 2bdi n GLU 114 Cb 0.49 -2.48 0.00 0.00 -0.02 0.00 0.00 31.44 29.42 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 12.64 0.00 -0.07 1.62 3.41 -0.41 -4.93 113.62 125.88 2bdi n SER 115 Ca 0.49 -0.31 -0.15 0.00 -0.26 0.00 0.00 58.87 58.65 2bdi n SER 115 Cb 0.28 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.18 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 0.92 -0.57 4.04 -0.00 -1.95 -3.21 116.42 115.65 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 -0.27 0.00 0.00 -0.00 0.00 0.00 39.33 39.06 2bdi h ASP 116 CO 0.00 1.30 0.00 0.35 -0.00 0.00 0.00 179.24 180.89 2bdi n THR 117 N -4.05 0.94 -3.53 2.25 -2.24 -1.26 -4.82 114.28 101.56 2bdi n THR 117 Ca -0.05 -0.97 -0.29 0.00 -2.27 0.00 0.00 64.05 60.47 2bdi n THR 117 Cb 0.62 0.56 -0.14 0.00 -2.10 0.00 0.00 70.33 69.27 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 -1.04 0.07 0.11 2.28 1.01 -1.21 -4.00 121.20 118.41 2bdi s ILE 118 Ca 0.39 -1.09 0.06 0.00 0.00 0.00 0.00 60.65 60.02 2bdi s ILE 118 Cb 0.21 -1.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 2bdi s ILE 118 CO 0.27 -0.80 -0.15 -0.60 0.00 0.00 0.00 174.94 173.66 2bdi s ARG 119 N 1.76 0.99 0.44 2.79 3.52 -0.96 -1.28 118.95 126.21 2bdi s ARG 119 Ca 0.12 -1.17 -0.04 0.00 -0.13 0.00 0.00 55.73 54.50 2bdi s ARG 119 Cb -0.18 -0.94 -0.04 0.00 -1.56 0.00 0.00 34.95 32.23 2bdi s ARG 119 CO -0.25 0.19 0.73 -1.54 -0.81 0.00 0.00 175.30 173.61 2bdi s SER 120 N -2.25 6.29 0.21 -2.12 1.04 -1.26 -2.45 113.70 113.16 2bdi s SER 120 Ca 0.06 0.82 0.11 0.00 0.48 0.00 0.00 55.95 57.43 2bdi s SER 120 Cb -0.07 -2.20 -0.05 0.00 0.10 0.00 0.00 66.02 63.81 2bdi s SER 120 CO 0.03 -0.50 -0.21 -0.51 0.98 0.00 0.00 173.24 173.03 2bdi s ILE 121 N -2.61 2.25 0.13 -1.02 2.07 -0.60 -4.91 121.20 116.50 2bdi s ILE 121 Ca 0.46 -2.11 0.00 0.00 -1.41 0.00 0.00 60.65 57.59 2bdi s ILE 121 Cb -0.10 -2.10 -0.04 0.00 0.13 0.00 0.00 42.46 40.34 2bdi s ILE 121 CO 0.42 -0.24 0.29 -0.94 -1.91 0.00 0.00 174.94 172.55 2bdi s SER 122 N -2.89 6.37 -0.10 4.50 1.04 -1.26 -4.49 113.70 116.87 2bdi s SER 122 Ca 0.22 0.30 -0.20 0.00 0.48 0.00 0.00 55.95 56.74 2bdi s SER 122 Cb -0.06 -1.97 -0.04 0.00 0.10 0.00 0.00 66.02 64.05 2bdi s SER 122 CO 0.10 0.08 0.57 -0.63 0.98 0.00 0.00 173.24 174.33 2bdi s ILE 123 N -1.67 5.13 0.29 -1.02 1.01 -1.26 -0.80 121.20 122.87 2bdi s ILE 123 Ca 0.36 1.14 -0.29 0.00 0.00 0.00 0.00 60.65 61.86 2bdi s ILE 123 Cb -0.12 -3.90 -0.13 0.00 0.01 0.00 0.00 42.46 38.32 2bdi s ILE 123 CO 0.28 0.29 1.31 0.00 0.00 0.00 0.00 174.94 176.82 2bdi n ALA 124 N 3.77 1.06 0.16 9.38 0.00 0.32 -4.80 120.51 130.41 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 -2.24 -0.15 0.00 0.00 0.00 0.00 19.45 17.57 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 1.43 0.36 -4.93 0.00 3.41 -1.26 -4.18 113.62 108.45 2bdi n SER 125 Ca 0.08 -0.17 -0.26 0.00 -0.26 0.00 0.00 58.87 58.27 2bdi n SER 125 Cb 0.34 1.79 -0.01 0.00 -0.26 0.00 0.00 64.21 66.06 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 -3.35 3.53 0.19 4.33 0.74 -1.26 -4.89 119.66 118.95 2bdi s GLN 127 Ca -0.05 -0.13 -0.10 0.00 0.05 0.00 0.00 55.36 55.14 2bdi s GLN 127 Cb 0.14 -2.58 -0.07 0.00 1.10 0.00 0.00 33.01 31.60 2bdi s GLN 127 CO 0.86 0.06 0.51 0.00 -0.55 0.00 0.00 175.29 176.17 2bdi n PRO 129 N 0.13 0.00 -4.94 0.00 -0.02 -1.26 -4.97 135.00 123.95 2bdi n PRO 129 Ca -0.02 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.14 2bdi n PRO 129 Cb 0.52 -0.93 -0.15 0.00 -0.02 0.00 0.00 33.50 32.93 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 -1.14 2.76 0.35 3.45 -4.23 -1.26 -5.08 115.64 110.49 2bdi s THR 130 Ca 0.58 -0.79 -0.28 0.00 -1.18 0.00 0.00 61.69 60.02 2bdi s THR 130 Cb -0.77 -2.11 -0.12 0.00 1.34 0.00 0.00 72.50 70.84 2bdi s THR 130 CO 0.54 0.55 1.29 0.00 -0.54 0.00 0.00 174.62 176.46 2bdi n ALA 132 N 3.16 1.30 0.00 3.99 0.00 -1.26 -1.78 120.51 125.92 2bdi n ALA 132 Ca -0.18 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2bdi n ALA 132 Cb 0.52 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.72 2bdi n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bdi n GLY 133 N 0.77 2.90 3.72 0.00 0.00 0.13 -4.91 105.19 107.80 2bdi n GLY 133 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 0.35 3.38 -4.86 1.61 2.85 -0.73 -4.50 115.26 113.35 2bdi n ASN 134 Ca 0.00 1.15 -0.37 0.00 -0.11 0.00 0.00 54.58 55.26 2bdi n ASN 134 Cb 0.00 -1.53 -0.06 0.00 1.24 0.00 0.00 39.78 39.44 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 0.34 6.59 0.30 1.20 0.15 -1.26 -0.32 113.70 120.70 2bdi s SER 135 Ca 0.65 0.70 0.02 0.00 0.70 0.00 0.00 55.95 58.02 2bdi s SER 135 Cb -0.56 -2.15 -0.02 0.00 -1.71 0.00 0.00 66.02 61.58 2bdi s SER 135 CO 0.50 0.32 0.31 0.00 1.20 0.00 0.00 173.24 175.57 2bdi s LEU 137 N -3.27 2.25 0.02 0.00 2.96 -0.39 -0.81 118.68 119.43 2bdi s LEU 137 Ca 0.37 -0.56 0.00 0.00 -0.22 0.00 0.00 54.13 53.72 2bdi s LEU 137 Cb 0.03 -0.50 -0.01 0.00 0.50 0.00 0.00 46.19 46.20 2bdi s LEU 137 CO 0.21 -0.06 -0.03 0.54 -1.32 0.00 0.00 176.35 175.70 2bdi s VAL 138 N -1.16 0.12 0.04 1.68 0.11 -0.51 0.31 120.40 120.98 2bdi s VAL 138 Ca -0.02 -0.65 -0.02 0.00 -2.93 0.00 0.00 61.98 58.36 2bdi s VAL 138 Cb -0.09 -0.22 -0.03 0.00 -1.53 0.00 0.00 36.38 34.51 2bdi s VAL 138 CO 0.02 -0.34 -0.00 -0.94 -3.33 0.00 0.00 175.10 170.51 2bdi s SER 139 N -1.03 0.32 0.00 3.54 1.04 -1.22 -1.31 113.70 115.03 2bdi s SER 139 Ca -0.11 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.63 2bdi s SER 139 Cb -0.07 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.22 2bdi s SER 139 CO -0.01 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.36 2bdi n GLY 140 N 0.85 0.71 1.74 7.32 0.00 -0.56 -4.24 105.19 111.00 2bdi n GLY 140 Ca -0.19 -0.94 0.08 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.33 1.82 -1.00 1.61 8.01 -1.26 -1.81 117.44 124.48 2bdi n TRP 141 Ca 0.00 -0.70 -0.30 0.00 -1.31 0.00 0.00 57.50 55.19 2bdi n TRP 141 Cb 0.00 -0.41 0.24 0.00 -2.01 0.00 0.00 31.31 29.12 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 -0.89 1.56 0.51 6.99 0.00 -1.22 -4.29 107.32 109.97 2bdi s GLY 142 Ca 0.53 -0.82 -0.21 0.00 0.00 0.00 0.00 44.72 44.22 2bdi s GLY 142 CO 0.19 0.03 0.81 1.04 0.00 0.00 0.00 173.10 175.17 2bdi n LEU 143 N -4.78 2.09 -5.01 0.66 4.32 0.71 -3.11 117.00 111.87 2bdi n LEU 143 Ca 0.11 0.88 -0.19 0.00 -0.02 0.00 0.00 56.01 56.79 2bdi n LEU 143 Cb 0.59 -1.29 0.05 0.00 -1.62 0.00 0.00 43.42 41.15 2bdi n LEU 143 CO 0.47 -2.17 0.30 -0.76 -1.22 0.00 0.00 177.39 174.02 2bdi s LEU 144 N -0.31 3.31 0.56 2.23 1.43 0.10 -1.38 118.68 124.63 2bdi s LEU 144 Ca 0.68 -0.51 0.30 0.00 -1.03 0.00 0.00 54.13 53.57 2bdi s LEU 144 Cb -0.50 -2.23 1.46 0.00 0.03 0.00 0.00 46.19 44.95 2bdi s LEU 144 CO 0.54 -1.17 1.90 0.00 0.23 0.00 0.00 176.35 177.84 2bdi h ALA 145 N 0.24 2.54 -0.19 4.21 0.00 -1.87 0.36 119.26 124.54 2bdi h ALA 145 Ca -0.36 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2bdi h ALA 145 Cb 1.28 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2bdi h ALA 145 CO 0.44 -0.90 0.00 0.27 0.00 0.00 0.00 179.25 179.05 2bdi n ASN 146 N -4.04 1.38 -0.45 0.00 0.23 -1.26 -4.88 115.26 106.24 2bdi n ASN 146 Ca 0.13 -1.80 -0.06 0.00 -0.53 0.00 0.00 54.58 52.33 2bdi n ASN 146 Cb 0.81 -0.13 -0.03 0.00 -2.08 0.00 0.00 39.78 38.36 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 1.01 0.82 3.55 4.83 0.00 0.13 -5.00 105.19 110.52 2bdi n GLY 147 Ca 0.13 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.19 2.01 0.09 1.61 3.00 -1.25 -4.74 118.95 117.48 2bdi s ARG 150 Ca 0.00 -1.15 -0.26 0.00 -1.00 0.00 0.00 55.73 53.31 2bdi s ARG 150 Cb 0.00 -2.20 -0.06 0.00 0.00 0.00 0.00 34.95 32.69 2bdi s ARG 150 CO 0.00 0.47 0.82 -1.64 0.00 0.00 0.00 175.30 174.95 2bdi s MET 151 N -2.42 4.57 0.76 5.12 -1.94 -1.26 0.02 119.30 124.15 2bdi s MET 151 Ca 0.22 1.19 -0.11 0.00 -1.71 0.00 0.00 55.69 55.28 2bdi s MET 151 Cb -0.10 -3.34 0.04 0.00 2.01 0.00 0.00 34.83 33.44 2bdi s MET 151 CO 0.13 0.33 1.09 -1.25 -0.01 0.00 0.00 175.02 175.31 2bdi s PRO 152 N -0.30 2.43 -0.01 2.03 0.04 -1.26 -4.95 135.00 132.98 2bdi s PRO 152 Ca 0.40 0.68 0.15 0.00 0.04 0.00 0.00 61.00 62.27 2bdi s PRO 152 Cb -0.22 -1.95 -0.19 0.00 0.04 0.00 0.00 34.50 32.17 2bdi s PRO 152 CO 0.26 -1.39 0.69 0.25 0.04 0.00 0.00 177.00 176.85 2bdi n THR 153 N -3.28 1.40 -4.47 1.26 -2.24 -1.26 -4.96 114.28 100.73 2bdi n THR 153 Ca 0.07 -0.75 -0.23 0.00 -2.27 0.00 0.00 64.05 60.87 2bdi n THR 153 Cb 0.56 -0.86 -0.11 0.00 -2.10 0.00 0.00 70.33 67.82 2bdi n THR 153 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2bdi s VAL 154 N -2.74 1.52 0.21 2.28 -7.23 -1.26 -3.88 120.40 109.29 2bdi s VAL 154 Ca -0.04 -2.05 -0.32 0.00 -1.81 0.00 0.00 61.98 57.76 2bdi s VAL 154 Cb 0.08 -2.69 -0.11 0.00 0.56 0.00 0.00 36.38 34.22 2bdi s VAL 154 CO 0.82 -0.12 1.67 -0.22 -0.31 0.00 0.00 175.10 176.93 2bdi s LEU 155 N -3.51 4.37 0.10 1.32 2.96 -0.58 -4.85 118.68 118.49 2bdi s LEU 155 Ca 0.33 2.81 -0.02 0.00 -0.22 0.00 0.00 54.13 57.04 2bdi s LEU 155 Cb 0.07 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 43.11 2bdi s LEU 155 CO 0.14 -0.93 0.28 -1.10 -1.32 0.00 0.00 176.35 173.43 2bdi s GLN 156 N 0.95 3.51 -0.01 1.98 -1.52 -0.75 -1.77 119.66 122.05 2bdi s GLN 156 Ca 0.72 -0.30 0.04 0.00 -1.95 0.00 0.00 55.36 53.87 2bdi s GLN 156 Cb -0.48 -2.96 -0.01 0.00 -0.22 0.00 0.00 33.01 29.35 2bdi s GLN 156 CO 0.34 0.54 -0.13 0.00 -0.25 0.00 0.00 175.29 175.79 2bdi s VAL 158 N -0.27 0.02 -0.10 0.00 0.11 -0.43 -1.38 120.40 118.35 2bdi s VAL 158 Ca 0.04 -0.17 -0.02 0.00 -2.93 0.00 0.00 61.98 58.90 2bdi s VAL 158 Cb -0.05 -0.99 -0.03 0.00 -1.53 0.00 0.00 36.38 33.77 2bdi s VAL 158 CO -0.00 -0.10 -0.02 0.20 -3.33 0.00 0.00 175.10 171.85 2bdi s ASN 159 N -2.06 5.00 0.01 3.54 -0.87 -1.26 -1.43 114.94 117.87 2bdi s ASN 159 Ca -0.04 0.04 -0.02 0.00 -1.57 0.00 0.00 52.86 51.27 2bdi s ASN 159 Cb -0.01 -1.47 -0.01 0.00 -0.02 0.00 0.00 41.25 39.74 2bdi s ASN 159 CO -0.03 0.32 0.02 0.68 -2.57 0.00 0.00 177.10 175.52 2bdi s VAL 160 N -0.55 0.08 0.06 1.60 -7.23 0.01 -4.87 120.40 109.50 2bdi s VAL 160 Ca 0.09 -0.68 0.02 0.00 -1.81 0.00 0.00 61.98 59.60 2bdi s VAL 160 Cb -0.12 -0.25 -0.04 0.00 0.56 0.00 0.00 36.38 36.53 2bdi s VAL 160 CO 0.02 -0.37 0.12 -0.44 -0.31 0.00 0.00 175.10 174.11 2bdi s SER 161 N -1.14 5.78 0.31 4.85 0.01 -1.26 -1.24 113.70 121.01 2bdi s SER 161 Ca -0.12 0.09 -0.29 0.00 1.31 0.00 0.00 55.95 56.93 2bdi s SER 161 Cb -0.08 -1.64 -0.11 0.00 0.21 0.00 0.00 66.02 64.41 2bdi s SER 161 CO -0.00 0.19 1.48 -0.69 0.41 0.00 0.00 173.24 174.62 2bdi s VAL 162 N -1.40 2.35 0.14 3.43 1.01 0.56 -0.09 120.40 126.41 2bdi s VAL 162 Ca 0.30 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.59 2bdi s VAL 162 Cb -0.12 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 2bdi s VAL 162 CO 0.23 0.06 0.31 -0.69 0.00 0.00 0.00 175.10 175.01 2bdi s VAL 163 N -0.45 5.29 0.67 2.92 1.01 -0.25 0.20 120.40 129.78 2bdi s VAL 163 Ca 0.57 -0.44 -0.15 0.00 0.00 0.00 0.00 61.98 61.96 2bdi s VAL 163 Cb -0.44 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.24 2bdi s VAL 163 CO 0.51 -0.05 1.12 -0.94 0.00 0.00 0.00 175.10 175.74 2bdi s SER 164 N -2.96 5.00 0.20 3.32 1.04 -1.26 -4.66 113.70 114.38 2bdi s SER 164 Ca 0.37 2.04 -0.11 0.00 0.48 0.00 0.00 55.95 58.72 2bdi s SER 164 Cb -0.12 -2.55 0.18 0.00 0.10 0.00 0.00 66.02 63.63 2bdi s SER 164 CO 0.28 -1.70 1.81 -0.08 0.98 0.00 0.00 173.24 174.53 2bdi h GLU 165 N -0.01 0.65 0.55 4.02 4.81 -1.98 0.24 114.58 122.87 2bdi h GLU 165 Ca -0.47 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 58.70 2bdi h GLU 165 Cb 1.25 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 2bdi h GLU 165 CO 0.54 0.43 -0.43 1.49 -0.73 0.00 0.00 179.01 180.30 2bdi h GLU 166 N 0.67 -0.92 -0.35 1.92 4.81 -1.99 0.53 114.58 119.25 2bdi h GLU 166 Ca 0.26 0.06 0.08 0.00 -0.13 0.00 0.00 59.36 59.63 2bdi h GLU 166 Cb 0.11 0.21 -0.07 0.00 0.63 0.00 0.00 28.75 29.63 2bdi h GLU 166 CO -0.15 -0.61 -0.15 0.28 -0.73 0.00 0.00 179.01 177.66 2bdi h VAL 167 N -0.95 0.53 -0.29 0.32 2.07 -1.81 -1.52 116.25 114.60 2bdi h VAL 167 Ca -0.07 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.51 2bdi h VAL 167 Cb 0.80 0.53 -0.08 0.00 -1.52 0.00 0.00 31.29 31.01 2bdi h VAL 167 CO 0.01 0.00 -0.40 0.00 0.02 0.00 0.00 177.57 177.20 2bdi h SER 169 N -0.38 0.23 0.04 0.00 4.64 -0.62 -1.24 113.55 116.21 2bdi h SER 169 Ca 0.12 -0.05 -0.20 0.00 -0.47 0.00 0.00 61.79 61.20 2bdi h SER 169 Cb 0.59 -0.06 0.02 0.00 -0.31 0.00 0.00 62.40 62.64 2bdi h SER 169 CO -0.49 0.39 -0.79 0.11 -0.87 0.00 0.00 176.83 175.18 2bdi h LYS 170 N 0.23 0.47 0.00 4.77 1.57 -0.96 1.00 116.57 123.64 2bdi h LYS 170 Ca 0.05 -0.55 -0.01 0.00 -1.87 0.00 0.00 60.65 58.26 2bdi h LYS 170 Cb 0.39 0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 2bdi h LYS 170 CO 0.02 1.20 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.99 2bdi h LEU 171 N -0.01 0.00 -2.41 2.94 3.38 0.01 -2.89 115.31 116.33 2bdi h LEU 171 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2bdi h LEU 171 Cb 1.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.25 2bdi h LEU 171 CO 0.15 0.04 0.00 -1.22 0.09 0.00 0.00 178.44 177.50 2bdi n TYR 172 N -3.55 0.00 -1.66 1.13 4.01 -0.52 -5.01 117.16 111.56 2bdi n TYR 172 Ca -0.02 -0.36 -0.42 0.00 -0.16 0.00 0.00 57.90 56.93 2bdi n TYR 172 Cb 0.14 -0.04 -0.00 0.00 -0.31 0.00 0.00 39.34 39.13 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 -0.36 2.15 -1.38 7.72 -0.08 0.34 -0.88 116.55 124.05 2bdi n ASP 173 Ca 0.00 1.15 0.12 0.00 -1.51 0.00 0.00 54.79 54.55 2bdi n ASP 173 Cb 0.24 -1.43 0.33 0.00 2.34 0.00 0.00 41.12 42.60 2bdi n ASP 173 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2bdi n PRO 174 N 0.40 2.76 0.10 -0.67 -0.04 -1.26 -4.83 135.00 131.45 2bdi n PRO 174 Ca 0.07 -2.69 0.12 0.00 -0.04 0.00 0.00 63.50 60.96 2bdi n PRO 174 Cb 0.37 -1.59 0.45 0.00 -0.04 0.00 0.00 33.50 32.69 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 1.67 0.62 -4.76 1.53 4.77 -0.06 -4.88 117.00 115.89 2bdi n LEU 175 Ca 0.25 0.60 -0.41 0.00 -0.03 0.00 0.00 56.01 56.42 2bdi n LEU 175 Cb 0.64 -0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 2bdi n LEU 175 CO 0.17 -0.31 0.93 -0.47 -1.33 0.00 0.00 177.39 176.38 2bdi s TYR 176 N -3.17 3.23 0.13 -1.77 6.14 -0.65 -4.87 117.35 116.39 2bdi s TYR 176 Ca 0.08 1.46 0.01 0.00 0.64 0.00 0.00 57.07 59.26 2bdi s TYR 176 Cb 0.12 -3.56 -0.04 0.00 0.42 0.00 0.00 41.96 38.89 2bdi s TYR 176 CO 0.49 -1.51 -0.02 -1.58 0.64 0.00 0.00 175.55 173.57 2bdi s HIS 177 N -0.94 1.00 -1.00 4.97 2.46 -1.26 -4.95 115.29 115.58 2bdi s HIS 177 Ca 0.49 -1.01 0.05 0.00 0.47 0.00 0.00 55.06 55.06 2bdi s HIS 177 Cb -0.37 -0.58 0.22 0.00 -0.13 0.00 0.00 32.58 31.72 2bdi s HIS 177 CO 0.47 -0.24 1.17 -2.30 -2.47 0.00 0.00 174.74 171.37 2bdi n PRO 178 N -0.13 0.00 -0.68 2.88 -0.02 -1.26 -1.74 135.00 134.06 2bdi n PRO 178 Ca -0.09 0.41 -0.03 0.00 -2.02 0.00 0.00 63.50 61.78 2bdi n PRO 178 Cb 0.62 -1.50 0.22 0.00 -0.02 0.00 0.00 33.50 32.82 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 -1.50 3.94 -3.94 2.55 3.41 -1.26 -4.77 113.62 112.04 2bdi n SER 179 Ca 0.01 -2.78 -0.09 0.00 -0.26 0.00 0.00 58.87 55.75 2bdi n SER 179 Cb 0.06 -0.66 -0.07 0.00 -0.26 0.00 0.00 64.21 63.28 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 -2.19 1.09 0.01 4.33 0.23 -0.71 -1.41 119.30 120.66 2bdi s MET 180 Ca 0.37 -1.14 -0.22 0.00 -1.03 0.00 0.00 55.69 53.67 2bdi s MET 180 Cb 0.29 0.37 0.05 0.00 -1.53 0.00 0.00 34.83 34.01 2bdi s MET 180 CO 0.09 -0.39 0.50 -0.59 -2.03 0.00 0.00 175.02 172.61 2bdi s PHE 181 N -3.95 -0.41 0.08 3.16 -0.12 -0.33 -4.69 117.98 111.72 2bdi s PHE 181 Ca 0.15 0.56 -0.02 0.00 -0.05 0.00 0.00 56.93 57.56 2bdi s PHE 181 Cb 0.04 0.29 -0.05 0.00 -0.63 0.00 0.00 43.02 42.67 2bdi s PHE 181 CO -0.02 -0.57 0.27 0.00 -0.05 0.00 0.00 175.22 174.84 2bdi s ALA 183 N -1.53 -1.07 0.00 0.00 0.00 -0.88 -1.09 121.76 117.20 2bdi s ALA 183 Ca 0.36 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.49 2bdi s ALA 183 Cb -0.13 -0.65 0.00 0.00 0.00 0.00 0.00 23.12 22.34 2bdi s ALA 183 CO 0.25 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.21 2bdi n GLY 184 N 2.72 0.36 2.06 0.00 0.00 0.87 -2.69 105.19 108.51 2bdi n GLY 184 Ca -0.14 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.59 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 0.53 3.84 -0.02 0.00 -1.26 -4.53 105.19 103.75 2bdi n GLY 185 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2bdi n GLY 185 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bdi s GLY 186 N -2.00 1.70 0.43 -0.02 0.00 -1.26 -0.24 107.32 105.94 2bdi s GLY 186 Ca 0.00 -1.03 0.21 0.00 0.00 0.00 0.00 44.72 43.90 2bdi s GLY 186 CO 0.00 -0.28 1.86 -1.61 0.00 0.00 0.00 173.10 173.07 2bdi h GLN 186 N -1.78 0.00 0.00 2.90 5.75 -1.94 -2.67 115.11 117.37 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 -3.62 0.00 -3.99 -0.69 3.85 -1.26 -4.84 116.55 106.00 2bdi n ASP 186 Ca -0.01 -0.41 -0.32 0.00 -0.71 0.00 0.00 54.79 53.35 2bdi n ASP 186 Cb 0.40 -0.04 0.01 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 -1.04 -4.96 -3.48 0.11 6.02 -1.00 -4.96 117.38 108.06 2bdi n GLN 187 Ca 0.11 0.54 -0.37 0.00 -0.01 0.00 0.00 57.00 57.28 2bdi n GLN 187 Cb 0.06 -5.39 -0.07 0.00 1.02 0.00 0.00 30.24 25.86 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 -6.69 4.23 0.11 -1.09 1.02 -1.26 -4.41 119.74 111.66 2bdi s LYS 188 Ca 0.67 0.14 -0.26 0.00 0.02 0.00 0.00 55.97 56.53 2bdi s LYS 188 Cb -0.34 -3.46 0.08 0.00 -0.52 0.00 0.00 37.83 33.58 2bdi s LYS 188 CO 0.85 0.14 1.07 0.34 -0.92 0.00 0.00 175.35 176.83 2bdi s ASP 189 N 0.68 -0.11 0.76 2.83 2.15 -0.96 -4.17 116.67 117.86 2bdi s ASP 189 Ca 0.18 -0.38 -0.03 0.00 0.43 0.00 0.00 52.55 52.75 2bdi s ASP 189 Cb -0.14 0.40 0.05 0.00 -0.30 0.00 0.00 42.92 42.94 2bdi s ASP 189 CO 0.06 -0.75 0.34 -1.20 -0.17 0.00 0.00 175.17 173.44 2bdi n SER 190 N -0.63 0.19 -3.62 -0.34 7.64 -1.26 0.43 113.62 116.03 2bdi n SER 190 Ca -0.06 -1.22 -0.01 0.00 1.01 0.00 0.00 58.87 58.59 2bdi n SER 190 Cb 0.61 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 2bdi n SER 190 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bdi n ASN 192 N -0.78 1.55 0.00 0.00 4.13 -1.26 -1.31 115.26 117.58 2bdi n ASN 192 Ca -0.04 1.12 0.00 0.00 1.68 0.00 0.00 54.58 57.34 2bdi n ASN 192 Cb 0.61 -1.17 0.00 0.00 -1.54 0.00 0.00 39.78 37.68 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 2.51 0.32 0.76 7.41 0.00 -1.26 -0.21 105.19 114.71 2bdi n GLY 193 Ca 0.19 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.30 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 2.62 -4.64 1.61 8.00 -0.43 -3.45 116.55 120.26 2bdi n ASP 194 Ca 0.00 -1.78 -0.43 0.00 0.71 0.00 0.00 54.79 53.29 2bdi n ASP 194 Cb 0.00 -0.05 -0.00 0.00 -0.02 0.00 0.00 41.12 41.05 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 1.02 1.94 0.00 -2.24 7.64 -1.26 -0.61 113.62 120.11 2bdi n SER 195 Ca 0.12 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.15 2bdi n SER 195 Cb 0.46 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 2bdi n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bdi n GLY 196 N 1.01 2.34 3.63 0.23 0.00 0.39 -2.11 105.19 110.68 2bdi n GLY 196 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 0.22 -3.69 107.32 103.74 2bdi s GLY 197 Ca 0.00 0.24 -0.15 0.00 0.00 0.00 0.00 44.72 44.81 2bdi s GLY 197 CO 0.00 0.76 0.69 2.56 0.00 0.00 0.00 173.10 177.10 2bdi s PRO 198 N -4.66 4.01 -0.26 2.90 0.04 -1.26 -0.34 135.00 135.43 2bdi s PRO 198 Ca 0.66 0.62 0.01 0.00 0.04 0.00 0.00 61.00 62.33 2bdi s PRO 198 Cb -0.22 -2.59 0.07 0.00 0.04 0.00 0.00 34.50 31.80 2bdi s PRO 198 CO 0.60 0.25 -0.01 -1.17 0.04 0.00 0.00 177.00 176.71 2bdi s LEU 199 N -2.69 2.71 -0.04 -3.56 2.96 0.15 -3.41 118.68 114.79 2bdi s LEU 199 Ca 0.50 -1.36 -0.10 0.00 -0.22 0.00 0.00 54.13 52.94 2bdi s LEU 199 Cb -0.12 -1.14 -0.05 0.00 0.50 0.00 0.00 46.19 45.38 2bdi s LEU 199 CO 0.19 -0.29 0.29 -0.63 -1.32 0.00 0.00 176.35 174.59 2bdi s ILE 200 N 1.40 5.25 -0.25 6.68 -1.09 0.15 0.50 121.20 133.84 2bdi s ILE 200 Ca -0.01 0.49 -0.04 0.00 -2.23 0.00 0.00 60.65 58.87 2bdi s ILE 200 Cb -0.18 -3.57 0.08 0.00 -1.58 0.00 0.00 42.46 37.21 2bdi s ILE 200 CO -0.10 0.55 0.10 0.00 -1.23 0.00 0.00 174.94 174.27 2bdi n ASN 202 N 5.17 -2.56 0.00 0.00 5.03 -1.26 -2.59 115.26 119.05 2bdi n ASN 202 Ca -0.06 -0.48 0.00 0.00 0.87 0.00 0.00 54.58 54.91 2bdi n ASN 202 Cb 0.45 -4.14 0.00 0.00 -1.02 0.00 0.00 39.78 35.06 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 -1.19 0.17 3.63 7.41 0.00 -1.26 -5.00 105.19 108.94 2bdi n GLY 203 Ca -0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.38 2.76 -0.47 1.61 1.51 -1.07 -4.73 117.35 115.58 2bdi s TYR 208 Ca 0.00 -0.17 -0.28 0.00 -1.01 0.00 0.00 57.07 55.60 2bdi s TYR 208 Cb 0.00 -1.33 0.03 0.00 -0.11 0.00 0.00 41.96 40.55 2bdi s TYR 208 CO 0.00 0.52 1.10 -1.17 -1.11 0.00 0.00 175.55 174.89 2bdi s LEU 209 N -2.94 3.70 -0.21 -1.29 2.96 0.01 -0.58 118.68 120.35 2bdi s LEU 209 Ca 0.27 0.42 -0.02 0.00 -0.22 0.00 0.00 54.13 54.58 2bdi s LEU 209 Cb -0.09 -3.49 -0.20 0.00 0.50 0.00 0.00 46.19 42.90 2bdi s LEU 209 CO 0.17 -1.21 0.00 1.67 -1.32 0.00 0.00 176.35 175.66 2bdi n GLN 210 N 7.72 0.69 -3.92 1.98 -0.06 0.18 -0.52 117.38 123.45 2bdi n GLN 210 Ca 0.11 0.20 -0.12 0.00 -2.00 0.00 0.00 57.00 55.20 2bdi n GLN 210 Cb 0.49 -1.60 0.00 0.00 -4.06 0.00 0.00 30.24 25.07 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 -6.11 0.90 -0.02 1.69 0.00 -0.72 -2.90 107.32 100.16 2bdi s GLY 211 Ca -0.30 -1.12 0.07 0.00 0.00 0.00 0.00 44.72 43.37 2bdi s GLY 211 CO 0.66 -0.61 -0.24 1.08 0.00 0.00 0.00 173.10 173.99 2bdi s LEU 212 N -3.16 2.04 -0.13 0.66 1.43 -1.20 -0.67 118.68 117.66 2bdi s LEU 212 Ca 0.22 -0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 52.58 2bdi s LEU 212 Cb -0.03 -1.25 -0.08 0.00 0.03 0.00 0.00 46.19 44.87 2bdi s LEU 212 CO 0.16 0.29 2.10 0.52 0.23 0.00 0.00 176.35 179.65 2bdi n VAL 213 N 2.56 0.51 0.00 -1.59 0.31 0.53 -0.54 118.33 120.11 2bdi n VAL 213 Ca -0.16 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 2bdi n VAL 213 Cb 0.52 -2.35 0.00 0.00 -0.91 0.00 0.00 33.84 31.10 2bdi n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2bdi n SER 214 N 9.64 0.00 -2.54 4.52 2.88 -1.00 0.15 113.62 127.28 2bdi n SER 214 Ca 0.27 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.72 2bdi n SER 214 Cb 0.40 -0.29 0.01 0.00 -0.75 0.00 0.00 64.21 63.58 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 -2.33 -1.92 0.00 0.66 1.16 -1.14 -4.88 117.46 109.01 2bdi n PHE 215 Ca 0.00 -1.67 0.00 0.00 -1.87 0.00 0.00 57.45 53.91 2bdi n PHE 215 Cb 0.00 0.69 0.00 0.00 -1.61 0.00 0.00 39.48 38.56 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 -0.46 1.01 3.69 4.97 0.00 -1.26 0.13 105.19 113.27 2bdi n GLY 216 Ca -0.05 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 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 1.26 0.10 1.61 1.02 -1.26 -5.02 119.74 115.45 2bdi s LYS 217 Ca 0.00 1.42 0.08 0.00 0.02 0.00 0.00 55.97 57.49 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 -2.42 -0.20 0.00 -0.92 0.00 0.00 175.35 171.81 2bdi s ALA 218 N -2.71 1.75 1.22 5.17 0.00 -1.26 -4.12 121.76 121.80 2bdi s ALA 218 Ca 0.65 -1.21 -0.15 0.00 0.00 0.00 0.00 51.96 51.25 2bdi s ALA 218 Cb -0.21 -0.24 0.23 0.00 0.00 0.00 0.00 23.12 22.90 2bdi s ALA 218 CO 0.58 0.35 0.75 -0.35 0.00 0.00 0.00 175.76 177.08 2bdi n PRO 219 N 1.15 -2.90 -2.78 0.00 -0.04 -1.26 -5.11 135.00 124.06 2bdi n PRO 219 Ca -0.20 -1.20 -0.25 0.00 -0.04 0.00 0.00 63.50 61.81 2bdi n PRO 219 Cb 0.54 -1.22 0.01 0.00 -0.04 0.00 0.00 33.50 32.79 2bdi n PRO 219 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bdi n GLY 220 N -2.24 0.02 3.78 0.00 0.00 -1.26 -4.99 105.19 100.51 2bdi n GLY 220 Ca 0.02 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 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 -4.55 4.51 0.20 1.61 -0.21 -1.26 -4.60 119.66 115.36 2bdi s GLN 221 Ca 0.00 1.11 -0.31 0.00 0.02 0.00 0.00 55.36 56.18 2bdi s GLN 221 Cb 0.00 -3.20 -0.10 0.00 1.00 0.00 0.00 33.01 30.71 2bdi s GLN 221 CO 0.00 0.54 1.52 0.08 -2.12 0.00 0.00 175.29 175.32 2bdi s VAL 222 N -1.21 2.60 0.00 1.09 1.01 -1.26 -2.03 120.40 120.60 2bdi s VAL 222 Ca 0.37 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.80 2bdi s VAL 222 Cb -0.22 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.87 2bdi s VAL 222 CO 0.25 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.01 2bdi n GLY 223 N 3.09 0.76 2.81 4.51 0.00 0.67 -4.95 105.19 112.09 2bdi n GLY 223 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.04 1.70 0.84 1.61 1.01 -0.86 -5.02 120.40 116.64 2bdi s VAL 224 Ca 0.00 -2.50 -0.11 0.00 0.00 0.00 0.00 61.98 59.37 2bdi s VAL 224 Cb 0.00 -2.21 0.09 0.00 0.00 0.00 0.00 36.38 34.26 2bdi s VAL 224 CO 0.00 -0.79 1.09 -2.16 0.00 0.00 0.00 175.10 173.24 2bdi s PRO 225 N 0.51 1.76 0.43 2.72 0.04 -1.26 -4.27 135.00 134.92 2bdi s PRO 225 Ca 0.15 0.84 -0.04 0.00 0.04 0.00 0.00 61.00 61.99 2bdi s PRO 225 Cb -0.23 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 2bdi s PRO 225 CO -0.05 -1.90 0.72 0.20 0.04 0.00 0.00 177.00 176.01 2bdi s GLY 226 N -3.57 1.53 -0.08 0.56 0.00 -1.09 -4.64 107.32 100.02 2bdi s GLY 226 Ca 0.62 -0.56 -0.05 0.00 0.00 0.00 0.00 44.72 44.73 2bdi s GLY 226 CO 0.56 -0.42 0.12 0.14 0.00 0.00 0.00 173.10 173.49 2bdi s VAL 227 N -2.57 5.20 0.04 1.40 1.01 0.12 -2.07 120.40 123.53 2bdi s VAL 227 Ca 0.46 -0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.47 2bdi s VAL 227 Cb -0.10 -3.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 2bdi s VAL 227 CO 0.41 0.54 -0.10 -0.31 0.00 0.00 0.00 175.10 175.64 2bdi s TYR 228 N -1.07 0.84 0.15 5.22 1.51 0.27 -2.36 117.35 121.91 2bdi s TYR 228 Ca 0.18 -0.41 -0.31 0.00 -1.01 0.00 0.00 57.07 55.52 2bdi s TYR 228 Cb -0.12 -0.50 -0.08 0.00 -0.11 0.00 0.00 41.96 41.15 2bdi s TYR 228 CO 0.07 -0.03 1.36 0.99 -1.11 0.00 0.00 175.55 176.84 2bdi s THR 229 N -1.10 3.24 -1.23 -0.71 2.01 0.30 -1.19 115.64 116.97 2bdi s THR 229 Ca -0.05 0.95 -0.16 0.00 0.31 0.00 0.00 61.69 62.74 2bdi s THR 229 Cb -0.09 -3.60 0.13 0.00 0.01 0.00 0.00 72.50 68.95 2bdi s THR 229 CO 0.01 0.10 1.55 0.21 -0.69 0.00 0.00 174.62 175.80 2bdi s ASN 230 N 0.78 6.95 0.54 3.53 2.47 -0.50 -3.23 114.94 125.47 2bdi s ASN 230 Ca 0.61 -2.70 0.26 0.00 0.42 0.00 0.00 52.86 51.46 2bdi s ASN 230 Cb -0.37 -2.48 1.43 0.00 -1.45 0.00 0.00 41.25 38.38 2bdi s ASN 230 CO 0.34 -0.95 1.99 -0.07 -3.72 0.00 0.00 177.10 174.68 2bdi h LEU 231 N 10.98 0.00 -1.12 3.21 3.38 -1.85 0.16 115.31 130.07 2bdi h LEU 231 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 2bdi h LEU 231 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2bdi h LEU 231 CO 1.33 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.86 2bdi n LYS 233 N -2.15 0.13 -0.28 0.00 4.76 0.57 -3.93 118.16 117.27 2bdi n LYS 233 Ca -0.01 0.05 0.08 0.00 -2.87 0.00 0.00 58.31 55.57 2bdi n LYS 233 Cb 0.06 -1.60 0.17 0.00 -1.84 0.00 0.00 35.03 31.82 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 -1.80 0.12 0.29 2.13 3.72 -0.09 -4.80 117.46 117.02 2bdi n PHE 234 Ca 0.05 -1.16 -0.18 0.00 -0.05 0.00 0.00 57.45 56.11 2bdi n PHE 234 Cb 0.38 -0.20 -0.10 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 0.45 0.02 -0.64 4.37 1.35 -1.68 0.36 112.91 117.14 2bdi h THR 235 Ca 0.01 0.00 0.13 0.00 -0.55 0.00 0.00 66.41 66.00 2bdi h THR 235 Cb 1.06 0.02 -0.11 0.00 -1.73 0.00 0.00 68.15 67.39 2bdi h THR 235 CO 0.03 0.00 0.04 -0.08 -0.25 0.00 0.00 175.52 175.26 2bdi h GLU 236 N -1.00 0.15 -0.05 4.72 4.81 -1.91 0.30 114.58 121.59 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 0.87 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.22 2bdi h GLU 236 CO -0.07 0.10 0.03 2.35 -0.73 0.00 0.00 179.01 180.69 2bdi h TRP 237 N 0.15 0.08 -0.79 0.92 7.01 -1.83 -0.38 115.95 121.11 2bdi h TRP 237 Ca 0.34 -0.00 0.14 0.00 2.11 0.00 0.00 58.89 61.48 2bdi h TRP 237 Cb 0.56 -0.02 -0.06 0.00 -2.10 0.00 0.00 29.16 27.54 2bdi h TRP 237 CO -0.34 0.16 0.52 0.82 -2.79 0.00 0.00 178.44 176.81 2bdi h ILE 238 N -0.03 0.83 0.31 2.65 2.04 0.74 -2.32 117.51 121.73 2bdi h ILE 238 Ca 0.02 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 2bdi h ILE 238 Cb 0.12 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 2bdi h ILE 238 CO -0.00 0.10 -0.15 -0.08 0.00 0.00 0.00 178.15 178.01 2bdi h GLU 239 N 0.54 -0.41 -0.54 2.37 4.57 -0.51 -2.02 114.58 118.57 2bdi h GLU 239 Ca 0.39 0.03 0.16 0.00 -1.18 0.00 0.00 59.36 58.75 2bdi h GLU 239 Cb 0.74 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.41 2bdi h GLU 239 CO -0.14 -0.27 0.65 -0.22 -1.18 0.00 0.00 179.01 177.84 2bdi h LYS 240 N -1.02 0.00 0.00 1.92 3.64 -0.95 -0.91 116.57 119.24 2bdi h LYS 240 Ca -0.04 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 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 -0.43 1.15 -2.27 0.00 0.00 179.45 177.97 2bdi h THR 241 N 0.00 0.45 -0.67 1.00 2.02 -1.41 -3.12 112.91 111.18 2bdi h THR 241 Ca 0.26 -1.44 0.08 0.00 0.77 0.00 0.00 66.41 66.08 2bdi h THR 241 Cb 1.55 0.95 -0.06 0.00 -1.74 0.00 0.00 68.15 68.85 2bdi h THR 241 CO -0.00 0.15 0.34 0.58 0.37 0.00 0.00 175.52 176.96 2bdi h VAL 242 N -1.00 0.89 0.00 3.16 2.07 -0.71 -3.35 116.25 117.30 2bdi h VAL 242 Ca -0.07 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2bdi h VAL 242 Cb 0.59 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2bdi h VAL 242 CO -0.04 0.11 0.00 1.67 0.02 0.00 0.00 177.57 179.33 2bdi n GLN 243 N -4.85 0.00 0.00 1.57 -0.06 -0.41 -5.10 117.38 108.53 2bdi n GLN 243 Ca 0.09 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.09 2bdi n GLN 243 Cb 0.23 -0.04 0.00 0.00 -4.06 0.00 0.00 30.24 26.37 2bdi n GLN 243 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86