#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bdm s ASP -7 N 0.00 6.77 0.23 6.43 3.68 -1.26 -4.92 116.67 127.60 3bdm s ASP -7 Ca 0.00 0.82 -0.06 0.00 2.13 0.00 0.00 52.55 55.44 3bdm s ASP -7 Cb 0.00 -2.55 0.37 0.00 -1.45 0.00 0.00 42.92 39.29 3bdm s ASP -7 CO 0.00 -1.07 1.77 -0.65 0.13 0.00 0.00 175.17 175.35 3bdm h PRO -6 N 8.74 0.57 0.00 4.34 0.11 -2.02 -1.00 132.00 142.73 3bdm h PRO -6 Ca -0.22 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3bdm h PRO -6 Cb 1.06 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3bdm h PRO -6 CO 1.07 0.37 0.00 0.43 -0.21 0.00 0.00 178.00 179.67 3bdm n SER -5 N -4.88 0.00 -2.64 -2.05 7.64 -1.26 -2.85 113.62 107.57 3bdm n SER -5 Ca 0.12 -0.59 -0.04 0.00 1.01 0.00 0.00 58.87 59.37 3bdm n SER -5 Cb 0.31 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.55 3bdm n SER -5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3bdm n SER -4 N -0.78 2.16 -0.10 6.43 7.64 -0.38 -4.62 113.62 123.97 3bdm n SER -4 Ca 0.06 -2.34 -0.15 0.00 1.01 0.00 0.00 58.87 57.44 3bdm n SER -4 Cb 0.03 -0.45 -0.09 0.00 -1.01 0.00 0.00 64.21 62.68 3bdm n SER -4 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3bdm n ILE -3 N -0.59 1.17 -0.11 0.44 5.41 -1.13 -4.77 119.36 119.78 3bdm n ILE -3 Ca 0.14 -0.43 -0.14 0.00 1.00 0.00 0.00 62.75 63.31 3bdm n ILE -3 Cb 0.84 -1.27 -0.12 0.00 -0.71 0.00 0.00 39.64 38.37 3bdm n ILE -3 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3bdm n ASN -2 N -3.18 1.57 0.00 4.38 5.03 -1.25 -1.29 115.26 120.53 3bdm n ASN -2 Ca -0.37 -0.09 0.00 0.00 0.87 0.00 0.00 54.58 55.00 3bdm n ASN -2 Cb 0.88 0.06 0.00 0.00 -1.02 0.00 0.00 39.78 39.70 3bdm n ASN -2 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3bdm n GLY -1 N 2.19 -2.30 0.00 7.41 0.00 -1.26 -2.25 105.19 108.99 3bdm n GLY -1 Ca -0.38 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.08 3bdm n GLY -1 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bdm n GLY 1 N -0.45 2.96 3.14 -0.02 0.00 -0.88 -4.58 105.19 105.36 3bdm n GLY 1 Ca 0.00 -1.89 -0.08 0.00 0.00 0.00 0.00 46.02 44.05 3bdm n GLY 1 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3bdm s ILE 2 N -2.67 0.17 -0.02 -0.61 -4.36 -1.26 -2.19 121.20 110.26 3bdm s ILE 2 Ca 0.00 -1.37 -0.04 0.00 -0.26 0.00 0.00 60.65 58.98 3bdm s ILE 2 Cb 0.00 -1.27 0.00 0.00 1.25 0.00 0.00 42.46 42.44 3bdm s ILE 2 CO 0.00 -0.76 0.09 -0.69 0.24 0.00 0.00 174.94 173.83 3bdm s VAL 3 N -3.51 0.04 -0.08 8.37 1.01 0.48 -2.63 120.40 124.08 3bdm s VAL 3 Ca 0.03 -0.35 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 3bdm s VAL 3 Cb 0.04 -0.26 0.02 0.00 0.00 0.00 0.00 36.38 36.19 3bdm s VAL 3 CO -0.09 -0.19 0.22 0.54 0.00 0.00 0.00 175.10 175.58 3bdm s VAL 4 N -0.61 0.01 -0.02 2.92 0.11 -0.04 -0.95 120.40 121.82 3bdm s VAL 4 Ca -0.07 -0.05 0.04 0.00 -2.93 0.00 0.00 61.98 58.97 3bdm s VAL 4 Cb -0.04 -0.33 -0.01 0.00 -1.53 0.00 0.00 36.38 34.47 3bdm s VAL 4 CO 0.00 -0.03 -0.14 0.00 -3.33 0.00 0.00 175.10 171.61 3bdm s ALA 5 N -0.01 1.17 0.08 1.54 0.00 -0.51 -0.25 121.76 123.79 3bdm s ALA 5 Ca -0.01 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.40 3bdm s ALA 5 Cb -0.02 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 3bdm s ALA 5 CO 0.00 0.26 -0.09 -1.64 0.00 0.00 0.00 175.76 174.30 3bdm s MET 6 N -0.20 0.77 -0.04 0.00 -1.94 0.17 -1.66 119.30 116.39 3bdm s MET 6 Ca 0.03 -1.12 0.04 0.00 -1.71 0.00 0.00 55.69 52.94 3bdm s MET 6 Cb -0.07 -0.40 -0.02 0.00 2.01 0.00 0.00 34.83 36.35 3bdm s MET 6 CO -0.00 0.05 -0.17 0.95 -0.01 0.00 0.00 175.02 175.84 3bdm s THR 7 N -2.51 2.85 0.00 2.05 -4.23 -0.94 0.71 115.64 113.57 3bdm s THR 7 Ca 0.04 -0.80 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 3bdm s THR 7 Cb -0.02 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 71.72 3bdm s THR 7 CO -0.01 0.59 0.00 0.61 -0.54 0.00 0.00 174.62 175.27 3bdm n GLY 8 N 2.35 5.63 3.61 3.99 0.00 0.86 -4.60 105.19 117.02 3bdm n GLY 8 Ca -0.17 -1.59 -0.43 0.00 0.00 0.00 0.00 46.02 43.83 3bdm n GLY 8 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3bdm s LYS 9 N 1.72 3.81 -1.66 1.61 2.47 0.24 -3.72 119.74 124.21 3bdm s LYS 9 Ca 0.00 0.72 -0.17 0.00 -1.56 0.00 0.00 55.97 54.96 3bdm s LYS 9 Cb 0.00 -3.87 0.14 0.00 -1.46 0.00 0.00 37.83 32.64 3bdm s LYS 9 CO 0.00 -1.27 0.83 -0.25 0.16 0.00 0.00 175.35 174.83 3bdm n ASP 10 N 7.65 -3.64 -3.49 1.43 10.43 -1.26 -4.71 116.55 122.96 3bdm n ASP 10 Ca 0.12 -0.96 -0.12 0.00 2.57 0.00 0.00 54.79 56.41 3bdm n ASP 10 Cb 0.48 -3.03 -0.03 0.00 1.84 0.00 0.00 41.12 40.39 3bdm n ASP 10 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3bdm s VAL 12 N -2.73 0.49 0.07 0.00 -7.23 -0.68 -0.10 120.40 110.22 3bdm s VAL 12 Ca -0.00 -0.90 0.07 0.00 -1.81 0.00 0.00 61.98 59.34 3bdm s VAL 12 Cb -0.01 -0.53 -0.03 0.00 0.56 0.00 0.00 36.38 36.37 3bdm s VAL 12 CO -0.06 -0.29 -0.18 0.00 -0.31 0.00 0.00 175.10 174.26 3bdm s ALA 13 N -1.13 1.57 -0.09 1.32 0.00 0.22 -0.74 121.76 122.92 3bdm s ALA 13 Ca -0.08 -1.09 -0.05 0.00 0.00 0.00 0.00 51.96 50.74 3bdm s ALA 13 Cb -0.08 -0.23 0.04 0.00 0.00 0.00 0.00 23.12 22.84 3bdm s ALA 13 CO 0.00 0.31 0.21 -1.50 0.00 0.00 0.00 175.76 174.78 3bdm s ILE 14 N -1.05 -0.03 0.05 0.00 2.07 -0.86 0.41 121.20 121.79 3bdm s ILE 14 Ca 0.04 0.11 -0.00 0.00 -1.41 0.00 0.00 60.65 59.39 3bdm s ILE 14 Cb -0.09 -0.32 -0.03 0.00 0.13 0.00 0.00 42.46 42.15 3bdm s ILE 14 CO 0.03 0.05 -0.04 0.00 -1.91 0.00 0.00 174.94 173.06 3bdm s ALA 15 N 0.89 0.48 0.16 1.50 0.00 0.66 -1.12 121.76 124.33 3bdm s ALA 15 Ca -0.06 -1.03 -0.11 0.00 0.00 0.00 0.00 51.96 50.76 3bdm s ALA 15 Cb -0.08 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.24 3bdm s ALA 15 CO -0.05 -0.26 0.33 0.00 0.00 0.00 0.00 175.76 175.78 3bdm n ASP 17 N -0.23 0.99 -0.04 0.00 3.85 -1.08 -1.35 116.55 118.70 3bdm n ASP 17 Ca -0.09 -1.94 0.04 0.00 -0.71 0.00 0.00 54.79 52.09 3bdm n ASP 17 Cb 0.63 -0.73 0.06 0.00 -1.35 0.00 0.00 41.12 39.73 3bdm n ASP 17 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 3bdm n LEU 18 N 0.00 2.06 -4.82 -2.12 4.77 0.30 -4.48 117.00 112.71 3bdm n LEU 18 Ca 0.16 -2.39 -0.34 0.00 -0.03 0.00 0.00 56.01 53.41 3bdm n LEU 18 Cb 0.57 -0.18 -0.07 0.00 -2.33 0.00 0.00 43.42 41.42 3bdm n LEU 18 CO 0.40 0.57 0.61 -0.60 -1.33 0.00 0.00 177.39 177.03 3bdm s ARG 19 N -1.75 4.27 -0.22 3.23 3.52 -0.96 -2.27 118.95 124.77 3bdm s ARG 19 Ca 0.13 1.09 -0.03 0.00 -0.13 0.00 0.00 55.73 56.78 3bdm s ARG 19 Cb 0.12 -2.37 0.12 0.00 -1.56 0.00 0.00 34.95 31.26 3bdm s ARG 19 CO 0.01 0.07 0.33 -1.17 -0.81 0.00 0.00 175.30 173.74 3bdm s LEU 20 N -2.88 -0.47 0.37 -0.88 1.98 -0.69 -4.65 118.68 111.46 3bdm s LEU 20 Ca 0.58 0.17 0.04 0.00 -2.89 0.00 0.00 54.13 52.03 3bdm s LEU 20 Cb -0.11 0.90 -0.03 0.00 0.66 0.00 0.00 46.19 47.60 3bdm s LEU 20 CO 0.16 -0.30 0.13 -0.83 -1.89 0.00 0.00 176.35 173.63 3bdm s GLY 21 N 2.48 2.38 -0.47 7.98 0.00 -0.95 -0.98 107.32 117.77 3bdm s GLY 21 Ca 0.10 -1.52 0.03 0.00 0.00 0.00 0.00 44.72 43.33 3bdm s GLY 21 CO -0.14 -1.75 0.24 -0.45 0.00 0.00 0.00 173.10 171.00 3bdm s SER 22 N -3.52 3.94 1.42 1.64 0.15 0.61 -3.82 113.70 114.13 3bdm s SER 22 Ca 0.29 -2.75 0.00 0.00 0.70 0.00 0.00 55.95 54.19 3bdm s SER 22 Cb 0.04 -1.28 0.00 0.00 -1.71 0.00 0.00 66.02 63.07 3bdm s SER 22 CO 0.16 -0.26 0.00 0.00 1.20 0.00 0.00 173.24 174.34 3bdm n GLN 23 N 3.41 0.00 0.18 5.44 1.13 -0.41 -2.71 117.38 124.41 3bdm n GLN 23 Ca 0.07 0.00 0.04 0.00 -1.94 0.00 0.00 57.00 55.17 3bdm n GLN 23 Cb 0.34 0.00 0.30 0.00 0.11 0.00 0.00 30.24 30.99 3bdm n GLN 23 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3bdm h SER 24 N 0.23 0.00 -2.99 1.08 4.64 -1.96 -3.44 113.55 111.10 3bdm h SER 24 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 3bdm h SER 24 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3bdm h SER 24 CO 0.00 0.42 0.78 -0.22 -0.87 0.00 0.00 176.83 176.94 3bdm s LEU 25 N -7.16 4.27 -0.03 5.97 2.96 -1.10 -5.01 118.68 118.58 3bdm s LEU 25 Ca -0.00 1.89 -0.26 0.00 -0.22 0.00 0.00 54.13 55.54 3bdm s LEU 25 Cb 0.11 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.21 3bdm s LEU 25 CO 0.70 -0.66 0.79 -0.83 -1.32 0.00 0.00 176.35 175.03 3bdm s GLY 26 N 1.72 2.73 -0.14 7.98 0.00 -1.26 -0.28 107.32 118.07 3bdm s GLY 26 Ca 0.58 0.27 -0.04 0.00 0.00 0.00 0.00 44.72 45.54 3bdm s GLY 26 CO 0.22 1.32 -0.16 -0.62 0.00 0.00 0.00 173.10 173.87 3bdm n VAL 27 N 3.70 0.78 -4.12 1.40 0.31 -0.33 -4.92 118.33 115.16 3bdm n VAL 27 Ca 0.01 -0.24 -0.15 0.00 -0.01 0.00 0.00 64.34 63.95 3bdm n VAL 27 Cb 0.51 -1.38 -0.13 0.00 -0.91 0.00 0.00 33.84 31.93 3bdm n VAL 27 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3bdm s SER 28 N -5.86 0.72 -0.23 4.52 0.15 -0.15 -5.02 113.70 107.84 3bdm s SER 28 Ca -0.19 -0.28 0.11 0.00 0.70 0.00 0.00 55.95 56.29 3bdm s SER 28 Cb 0.06 -0.03 0.44 0.00 -1.71 0.00 0.00 66.02 64.79 3bdm s SER 28 CO 0.28 -0.05 1.31 -0.46 1.20 0.00 0.00 173.24 175.52 3bdm n ASN 29 N 2.34 2.16 -0.36 5.45 2.04 -1.26 -1.69 115.26 123.94 3bdm n ASN 29 Ca -0.17 -3.73 0.01 0.00 -0.44 0.00 0.00 54.58 50.25 3bdm n ASN 29 Cb 0.57 -0.56 0.02 0.00 -2.53 0.00 0.00 39.78 37.28 3bdm n ASN 29 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 3bdm n LYS 30 N -1.13 0.25 -2.81 -3.83 5.02 -1.12 -4.82 118.16 109.72 3bdm n LYS 30 Ca 0.24 -1.15 -0.43 0.00 -2.02 0.00 0.00 58.31 54.95 3bdm n LYS 30 Cb 0.82 -0.65 -0.03 0.00 -0.02 0.00 0.00 35.03 35.15 3bdm n LYS 30 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3bdm s PHE 31 N -0.41 2.70 0.37 2.13 5.36 -0.96 -5.01 117.98 122.16 3bdm s PHE 31 Ca 0.04 -0.67 -0.19 0.00 -0.96 0.00 0.00 56.93 55.15 3bdm s PHE 31 Cb 0.04 -4.36 -0.10 0.00 -0.34 0.00 0.00 43.02 38.26 3bdm s PHE 31 CO 0.00 -1.69 0.85 -1.21 -1.46 0.00 0.00 175.22 171.71 3bdm s GLU 32 N 4.06 4.17 0.00 10.12 2.02 -1.26 -4.30 118.70 133.50 3bdm s GLU 32 Ca 0.27 0.94 0.02 0.00 0.02 0.00 0.00 54.97 56.23 3bdm s GLU 32 Cb -0.12 -2.37 0.06 0.00 0.10 0.00 0.00 34.13 31.80 3bdm s GLU 32 CO 0.06 0.09 0.99 1.63 0.02 0.00 0.00 175.26 178.05 3bdm n LYS 33 N -0.36 2.51 -4.54 1.61 5.02 -1.26 -4.99 118.16 116.15 3bdm n LYS 33 Ca 0.05 -1.49 -0.34 0.00 -2.02 0.00 0.00 58.31 54.51 3bdm n LYS 33 Cb 0.53 -1.05 -0.11 0.00 -0.02 0.00 0.00 35.03 34.38 3bdm n LYS 33 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3bdm s ILE 34 N -0.90 3.84 0.23 -0.18 -1.09 -1.26 -0.72 121.20 121.13 3bdm s ILE 34 Ca 0.05 -0.42 0.01 0.00 -2.23 0.00 0.00 60.65 58.06 3bdm s ILE 34 Cb 0.02 -2.60 -0.04 0.00 -1.58 0.00 0.00 42.46 38.26 3bdm s ILE 34 CO 0.03 0.58 0.16 -0.36 -1.23 0.00 0.00 174.94 174.12 3bdm s PHE 35 N -0.55 1.32 -0.00 3.97 0.40 -0.08 -4.98 117.98 118.05 3bdm s PHE 35 Ca 0.08 -1.42 -0.16 0.00 -0.60 0.00 0.00 56.93 54.84 3bdm s PHE 35 Cb -0.12 -0.63 0.03 0.00 0.51 0.00 0.00 43.02 42.81 3bdm s PHE 35 CO 0.02 -0.66 0.34 -3.38 0.70 0.00 0.00 175.22 172.24 3bdm s HIS 36 N -3.98 -0.20 -0.32 0.36 -3.43 -1.26 -0.40 115.29 106.06 3bdm s HIS 36 Ca 0.39 0.26 -0.01 0.00 -0.80 0.00 0.00 55.06 54.91 3bdm s HIS 36 Cb 0.06 0.12 0.10 0.00 -1.43 0.00 0.00 32.58 31.44 3bdm s HIS 36 CO 0.15 -0.44 0.12 0.71 -2.00 0.00 0.00 174.74 173.28 3bdm s TYR 38 N -1.62 1.54 0.00 0.38 2.02 0.68 -4.99 117.35 115.36 3bdm s TYR 38 Ca -0.11 -1.69 0.00 0.00 -0.37 0.00 0.00 57.07 54.90 3bdm s TYR 38 Cb -0.04 -1.61 0.00 0.00 -0.40 0.00 0.00 41.96 39.91 3bdm s TYR 38 CO 0.03 -0.86 0.00 0.41 -1.57 0.00 0.00 175.55 173.55 3bdm n GLY 39 N 4.76 0.92 0.61 0.71 0.00 -1.26 -2.46 105.19 108.47 3bdm n GLY 39 Ca -0.01 -0.73 0.08 0.00 0.00 0.00 0.00 46.02 45.36 3bdm n GLY 39 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3bdm n HIS 40 N 12.41 0.35 -3.81 1.61 1.44 -1.26 -4.86 115.22 121.11 3bdm n HIS 40 Ca 0.00 -0.18 -0.35 0.00 -2.01 0.00 0.00 57.72 55.18 3bdm n HIS 40 Cb 0.00 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.03 3bdm n HIS 40 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3bdm s VAL 41 N -1.65 5.28 0.05 0.61 1.01 -1.03 -4.44 120.40 120.24 3bdm s VAL 41 Ca 0.28 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.43 3bdm s VAL 41 Cb 0.15 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 3bdm s VAL 41 CO 0.21 0.47 0.03 -0.36 0.00 0.00 0.00 175.10 175.44 3bdm s PHE 42 N 0.19 3.10 -0.06 5.22 0.40 0.35 -0.23 117.98 126.96 3bdm s PHE 42 Ca 0.08 0.06 -0.02 0.00 -0.60 0.00 0.00 56.93 56.45 3bdm s PHE 42 Cb -0.11 -1.62 0.03 0.00 0.51 0.00 0.00 43.02 41.82 3bdm s PHE 42 CO -0.01 0.49 0.03 -1.17 0.70 0.00 0.00 175.22 175.26 3bdm s LEU 43 N -2.05 0.42 -0.13 -0.37 2.96 0.46 -1.58 118.68 118.40 3bdm s LEU 43 Ca 0.25 -0.01 -0.07 0.00 -0.22 0.00 0.00 54.13 54.08 3bdm s LEU 43 Cb -0.12 -0.30 -0.04 0.00 0.50 0.00 0.00 46.19 46.23 3bdm s LEU 43 CO 0.16 -0.21 0.12 -0.83 -1.32 0.00 0.00 176.35 174.27 3bdm s GLY 44 N 2.02 2.09 -0.19 7.98 0.00 0.13 -0.90 107.32 118.45 3bdm s GLY 44 Ca 0.04 -0.67 -0.03 0.00 0.00 0.00 0.00 44.72 44.06 3bdm s GLY 44 CO -0.04 -0.31 0.04 -0.42 0.00 0.00 0.00 173.10 172.36 3bdm s ILE 45 N -0.76 0.49 0.20 0.90 1.01 0.11 -0.19 121.20 122.96 3bdm s ILE 45 Ca 0.13 -0.52 0.05 0.00 0.00 0.00 0.00 60.65 60.31 3bdm s ILE 45 Cb -0.12 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.32 3bdm s ILE 45 CO 0.03 -0.20 0.21 0.42 0.00 0.00 0.00 174.94 175.40 3bdm s THR 46 N 1.87 4.71 -2.49 2.92 -4.23 -1.20 -4.81 115.64 112.42 3bdm s THR 46 Ca -0.01 -1.12 0.00 0.00 -1.18 0.00 0.00 61.69 59.38 3bdm s THR 46 Cb -0.17 -3.48 0.00 0.00 1.34 0.00 0.00 72.50 70.19 3bdm s THR 46 CO -0.08 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.39 3bdm n GLY 47 N -0.83 0.60 3.62 3.99 0.00 -1.26 -0.18 105.19 111.14 3bdm n GLY 47 Ca -0.08 -1.93 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 3bdm n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3bdm s LEU 48 N 0.00 3.84 0.26 0.99 2.96 -0.50 -4.52 118.68 121.72 3bdm s LEU 48 Ca 0.00 1.89 -0.06 0.00 -0.22 0.00 0.00 54.13 55.74 3bdm s LEU 48 Cb 0.00 -3.52 0.48 0.00 0.50 0.00 0.00 46.19 43.64 3bdm s LEU 48 CO 0.00 -1.46 1.60 0.00 -1.32 0.00 0.00 176.35 175.17 3bdm h ALA 49 N 12.14 0.77 -0.94 5.97 0.00 -1.91 0.17 119.26 135.46 3bdm h ALA 49 Ca -0.39 0.31 0.13 0.00 0.00 0.00 0.00 54.91 54.95 3bdm h ALA 49 Cb 1.20 0.56 -0.08 0.00 0.00 0.00 0.00 17.79 19.47 3bdm h ALA 49 CO 0.98 -0.44 0.60 0.00 0.00 0.00 0.00 179.25 180.38 3bdm h THR 50 N 0.04 0.88 -0.01 0.00 1.03 -1.99 0.21 112.91 113.07 3bdm h THR 50 Ca 0.45 -0.29 -0.19 0.00 -0.01 0.00 0.00 66.41 66.38 3bdm h THR 50 Cb 0.79 -0.03 -0.01 0.00 -1.07 0.00 0.00 68.15 67.83 3bdm h THR 50 CO -0.82 0.15 -0.83 0.44 -0.01 0.00 0.00 175.52 174.45 3bdm h ASP 51 N 0.84 0.23 -0.63 0.00 3.45 -1.38 -1.03 116.42 117.89 3bdm h ASP 51 Ca 0.47 -0.18 -0.03 0.00 0.43 0.00 0.00 57.03 57.72 3bdm h ASP 51 Cb 0.59 -0.07 -0.03 0.00 -0.56 0.00 0.00 39.33 39.26 3bdm h ASP 51 CO -0.23 0.96 0.30 0.58 -1.57 0.00 0.00 179.24 179.28 3bdm h VAL 52 N 0.10 1.22 0.27 -1.35 2.07 0.23 -0.44 116.25 118.36 3bdm h VAL 52 Ca -0.04 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 3bdm h VAL 52 Cb 1.44 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 3bdm h VAL 52 CO 0.13 0.26 -0.13 0.74 0.02 0.00 0.00 177.57 178.58 3bdm h THR 53 N 0.87 0.76 -0.49 2.57 2.02 -0.66 -2.74 112.91 115.23 3bdm h THR 53 Ca 0.22 -0.65 0.10 0.00 0.77 0.00 0.00 66.41 66.84 3bdm h THR 53 Cb 0.13 1.10 -0.10 0.00 -1.74 0.00 0.00 68.15 67.54 3bdm h THR 53 CO -0.03 0.13 -0.27 0.74 0.37 0.00 0.00 175.52 176.47 3bdm h THR 54 N -0.73 0.28 -0.48 3.16 2.02 -1.04 -0.71 112.91 115.42 3bdm h THR 54 Ca -0.04 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 3bdm h THR 54 Cb 0.49 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 3bdm h THR 54 CO 0.06 0.00 0.19 -0.07 0.37 0.00 0.00 175.52 176.07 3bdm h LEU 55 N -0.15 0.62 0.08 2.58 3.38 -1.14 0.04 115.31 120.71 3bdm h LEU 55 Ca 0.22 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3bdm h LEU 55 Cb 0.51 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3bdm h LEU 55 CO -0.58 0.56 -0.04 -1.13 0.09 0.00 0.00 178.44 177.33 3bdm h ASN 56 N 0.68 -0.09 -0.58 -0.43 -1.24 -0.85 -0.15 115.58 112.92 3bdm h ASN 56 Ca 0.17 -0.09 0.04 0.00 0.71 0.00 0.00 56.30 57.13 3bdm h ASN 56 Cb 0.13 0.02 -0.03 0.00 0.73 0.00 0.00 38.32 39.17 3bdm h ASN 56 CO -0.02 0.03 0.38 -0.33 -1.29 0.00 0.00 177.43 176.21 3bdm h GLU 57 N -0.21 0.60 0.28 6.67 5.08 -0.82 -1.21 114.58 124.97 3bdm h GLU 57 Ca -0.01 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3bdm h GLU 57 Cb 0.17 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3bdm h GLU 57 CO 0.02 0.40 -0.13 1.98 -1.00 0.00 0.00 179.01 180.28 3bdm h MET 58 N 0.62 -0.36 0.00 2.33 4.05 -0.51 -2.48 114.93 118.58 3bdm h MET 58 Ca 0.24 0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.67 3bdm h MET 58 Cb 0.17 0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.05 3bdm h MET 58 CO -0.07 -0.04 -0.08 0.74 0.23 0.00 0.00 176.91 177.69 3bdm h PHE 59 N -0.71 0.00 0.66 1.39 0.05 -0.74 -0.09 116.94 117.50 3bdm h PHE 59 Ca -0.04 0.00 -0.03 0.00 3.82 0.00 0.00 57.97 61.72 3bdm h PHE 59 Cb 0.49 0.00 0.01 0.00 2.00 0.00 0.00 35.95 38.44 3bdm h PHE 59 CO 0.02 0.08 -0.32 -0.09 -0.18 0.00 0.00 178.31 177.83 3bdm h ARG 60 N 0.00 -0.86 -0.76 1.51 2.43 -1.18 -0.19 114.38 115.33 3bdm h ARG 60 Ca -0.00 0.06 0.09 0.00 -0.81 0.00 0.00 59.98 59.32 3bdm h ARG 60 Cb 0.30 0.19 -0.12 0.00 -0.42 0.00 0.00 29.97 29.93 3bdm h ARG 60 CO 0.01 -0.57 -0.50 -0.92 -1.51 0.00 0.00 179.97 176.48 3bdm h TYR 61 N -1.20 -1.53 0.22 2.20 5.03 -0.94 0.30 116.97 121.06 3bdm h TYR 61 Ca -0.09 0.10 -0.01 0.00 2.58 0.00 0.00 58.73 61.31 3bdm h TYR 61 Cb 0.68 0.77 0.00 0.00 1.55 0.00 0.00 36.73 39.74 3bdm h TYR 61 CO 0.01 -0.41 -0.11 0.87 -1.32 0.00 0.00 178.16 177.20 3bdm h LYS 62 N -0.14 -0.29 -0.28 1.82 1.57 -1.04 -2.33 116.57 115.88 3bdm h LYS 62 Ca 0.18 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 59.02 3bdm h LYS 62 Cb 0.52 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 3bdm h LYS 62 CO -0.81 -0.16 0.19 1.79 -0.57 0.00 0.00 179.45 179.89 3bdm h THR 63 N -0.34 0.99 0.71 -0.16 1.35 -0.56 0.77 112.91 115.67 3bdm h THR 63 Ca -0.03 -0.08 -0.03 0.00 -0.55 0.00 0.00 66.41 65.71 3bdm h THR 63 Cb 0.26 0.73 0.01 0.00 -1.73 0.00 0.00 68.15 67.42 3bdm h THR 63 CO 0.05 0.04 -0.34 0.78 -0.25 0.00 0.00 175.52 175.80 3bdm h ASN 64 N 0.24 -0.80 -0.48 5.36 2.35 -0.65 -1.25 115.58 120.34 3bdm h ASN 64 Ca 0.12 0.03 0.11 0.00 -0.55 0.00 0.00 56.30 56.00 3bdm h ASN 64 Cb 0.17 0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 3bdm h ASN 64 CO -0.02 -0.53 0.33 -0.07 -1.65 0.00 0.00 177.43 175.49 3bdm h LEU 65 N -1.04 0.16 -0.37 1.61 3.38 -1.14 -1.02 115.31 116.89 3bdm h LEU 65 Ca -0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3bdm h LEU 65 Cb 0.73 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 3bdm h LEU 65 CO 0.16 0.09 0.17 0.22 0.09 0.00 0.00 178.44 179.18 3bdm h TYR 66 N 0.17 0.54 -0.43 1.13 5.03 -0.56 -1.89 116.97 120.96 3bdm h TYR 66 Ca 0.22 -0.03 -0.09 0.00 2.58 0.00 0.00 58.73 61.41 3bdm h TYR 66 Cb 0.65 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.75 3bdm h TYR 66 CO -0.00 0.47 -0.09 -0.22 -1.32 0.00 0.00 178.16 177.00 3bdm h LYS 67 N 0.46 0.76 -0.34 1.82 3.64 0.00 0.21 116.57 123.12 3bdm h LYS 67 Ca 0.13 -0.24 -0.06 0.00 -1.27 0.00 0.00 60.65 59.21 3bdm h LYS 67 Cb 0.13 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3bdm h LYS 67 CO -0.01 0.83 -0.05 -0.07 -2.27 0.00 0.00 179.45 177.87 3bdm h LEU 68 N 0.69 0.52 0.05 5.20 3.38 -1.09 -0.02 115.31 124.05 3bdm h LEU 68 Ca 0.12 -0.12 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 3bdm h LEU 68 Cb 0.56 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 3bdm h LEU 68 CO 0.03 0.63 -1.87 0.29 0.09 0.00 0.00 178.44 177.61 3bdm n LYS 69 N -4.24 0.66 0.20 1.13 5.02 -0.73 -4.30 118.16 115.90 3bdm n LYS 69 Ca 0.01 0.36 0.14 0.00 -2.02 0.00 0.00 58.31 56.80 3bdm n LYS 69 Cb 0.28 -1.68 0.40 0.00 -0.02 0.00 0.00 35.03 34.02 3bdm n LYS 69 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3bdm h GLU 70 N -0.42 0.00 -6.00 1.97 4.39 -0.68 -3.47 114.58 110.37 3bdm h GLU 70 Ca -0.45 0.00 -0.41 0.00 0.34 0.00 0.00 59.36 58.84 3bdm h GLU 70 Cb 1.72 0.00 0.08 0.00 -0.10 0.00 0.00 28.75 30.45 3bdm h GLU 70 CO -0.09 0.00 -0.78 0.39 -1.16 0.00 0.00 179.01 177.37 3bdm n GLU 71 N -2.81 -5.87 -3.60 2.33 1.02 -0.02 -4.97 120.64 106.72 3bdm n GLU 71 Ca 0.03 0.70 -0.03 0.00 -0.02 0.00 0.00 57.16 57.84 3bdm n GLU 71 Cb 0.41 -5.50 -0.02 0.00 -0.02 0.00 0.00 31.44 26.32 3bdm n GLU 71 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3bdm s ARG 72 N -6.01 0.45 0.26 3.49 1.70 -1.23 -5.08 118.95 112.54 3bdm s ARG 72 Ca 0.22 -0.20 -0.19 0.00 -0.47 0.00 0.00 55.73 55.08 3bdm s ARG 72 Cb -0.10 0.19 -0.09 0.00 -0.57 0.00 0.00 34.95 34.38 3bdm s ARG 72 CO 0.79 -0.20 0.75 0.00 -1.08 0.00 0.00 175.30 175.56 3bdm s ALA 73 N -2.57 3.36 0.53 7.88 0.00 -1.26 -4.14 121.76 125.56 3bdm s ALA 73 Ca 0.10 0.17 -0.21 0.00 0.00 0.00 0.00 51.96 52.03 3bdm s ALA 73 Cb 0.01 -2.85 -0.06 0.00 0.00 0.00 0.00 23.12 20.22 3bdm s ALA 73 CO -0.05 0.31 1.19 -1.50 0.00 0.00 0.00 175.76 175.72 3bdm s ILE 74 N -1.67 2.86 0.35 0.00 2.07 -1.26 -5.04 121.20 118.52 3bdm s ILE 74 Ca 0.47 0.59 0.03 0.00 -1.41 0.00 0.00 60.65 60.33 3bdm s ILE 74 Cb -0.15 -3.27 -0.02 0.00 0.13 0.00 0.00 42.46 39.16 3bdm s ILE 74 CO 0.20 -0.07 0.53 -1.61 -1.91 0.00 0.00 174.94 172.08 3bdm s GLU 75 N -3.04 3.25 0.15 3.50 0.41 -1.26 -4.73 118.70 116.98 3bdm s GLU 75 Ca 0.71 -0.65 -0.18 0.00 -0.41 0.00 0.00 54.97 54.44 3bdm s GLU 75 Cb -0.29 -2.72 0.05 0.00 -1.78 0.00 0.00 34.13 29.38 3bdm s GLU 75 CO 0.34 0.05 1.71 -1.35 -0.49 0.00 0.00 175.26 175.52 3bdm h PRO 76 N 0.77 0.09 -0.58 0.39 0.11 -1.93 0.59 132.00 131.43 3bdm h PRO 76 Ca -0.48 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.65 3bdm h PRO 76 Cb 1.24 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 3bdm h PRO 76 CO 0.58 0.06 0.35 0.93 -0.21 0.00 0.00 178.00 179.71 3bdm h GLU 77 N 0.10 0.67 -0.08 1.05 3.07 -1.97 -0.44 114.58 116.97 3bdm h GLU 77 Ca 0.15 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.95 3bdm h GLU 77 Cb 0.20 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 27.96 3bdm h GLU 77 CO -0.25 0.44 -0.03 1.15 -1.40 0.00 0.00 179.01 178.92 3bdm h THR 78 N 0.69 1.32 -0.87 1.13 2.02 -1.89 -2.90 112.91 112.40 3bdm h THR 78 Ca 0.24 -1.03 0.14 0.00 0.77 0.00 0.00 66.41 66.53 3bdm h THR 78 Cb 0.04 1.84 -0.07 0.00 -1.74 0.00 0.00 68.15 68.21 3bdm h THR 78 CO -0.11 0.29 0.56 0.15 0.37 0.00 0.00 175.52 176.79 3bdm h PHE 79 N -0.20 0.79 -0.01 3.16 3.57 -0.61 -0.03 116.94 123.61 3bdm h PHE 79 Ca 0.02 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.55 3bdm h PHE 79 Cb 0.47 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 3bdm h PHE 79 CO 0.06 0.30 -0.04 1.15 -2.23 0.00 0.00 178.31 177.56 3bdm h THR 80 N 0.68 0.90 -0.84 4.41 2.02 -0.92 0.59 112.91 119.75 3bdm h THR 80 Ca 0.43 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.66 3bdm h THR 80 Cb 0.70 0.90 -0.05 0.00 -1.74 0.00 0.00 68.15 67.96 3bdm h THR 80 CO -0.19 0.00 0.55 1.56 0.37 0.00 0.00 175.52 177.81 3bdm h GLN 81 N -0.06 0.98 -0.40 6.66 1.08 -0.88 -0.50 115.11 122.00 3bdm h GLN 81 Ca 0.02 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.12 3bdm h GLN 81 Cb 0.09 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.28 3bdm h GLN 81 CO -0.05 0.65 0.08 1.25 -0.95 0.00 0.00 178.83 179.81 3bdm h LEU 82 N 1.01 0.63 -0.14 1.46 5.85 -0.44 -2.23 115.31 121.45 3bdm h LEU 82 Ca 0.34 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 3bdm h LEU 82 Cb 0.08 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 3bdm h LEU 82 CO -0.11 0.72 0.07 0.58 -0.34 0.00 0.00 178.44 179.36 3bdm h VAL 83 N 0.51 1.10 -0.16 1.05 2.07 -0.11 -0.85 116.25 119.86 3bdm h VAL 83 Ca 0.12 -0.29 0.04 0.00 0.82 0.00 0.00 66.70 67.39 3bdm h VAL 83 Cb 0.35 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 3bdm h VAL 83 CO 0.01 0.10 -0.11 -1.28 0.02 0.00 0.00 177.57 176.30 3bdm h SER 84 N 0.12 -0.35 0.56 0.57 0.87 -1.01 -0.63 113.55 113.69 3bdm h SER 84 Ca 0.05 0.08 -0.10 0.00 -1.23 0.00 0.00 61.79 60.58 3bdm h SER 84 Cb 0.09 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 3bdm h SER 84 CO -0.01 -0.14 -0.49 0.77 -0.53 0.00 0.00 176.83 176.43 3bdm h SER 85 N -0.11 0.00 -0.70 6.23 4.64 -1.36 -1.07 113.55 121.18 3bdm h SER 85 Ca 0.10 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.35 3bdm h SER 85 Cb 0.25 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.31 3bdm h SER 85 CO -0.23 0.49 0.19 0.28 -0.87 0.00 0.00 176.83 176.69 3bdm h SER 86 N 0.00 1.05 -0.04 4.97 0.02 -0.42 -1.86 113.55 117.27 3bdm h SER 86 Ca -0.00 -0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 60.67 3bdm h SER 86 Cb 0.90 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.17 3bdm h SER 86 CO 0.06 1.00 -0.17 -0.07 -1.14 0.00 0.00 176.83 176.51 3bdm h LEU 87 N 1.05 0.22 -1.06 5.07 3.38 -0.79 -3.12 115.31 120.06 3bdm h LEU 87 Ca 0.22 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3bdm h LEU 87 Cb 0.35 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3bdm h LEU 87 CO -0.00 0.83 0.00 0.00 0.09 0.00 0.00 178.44 179.36 3bdm n TYR 88 N -4.58 0.83 0.24 1.13 9.36 -0.44 -0.78 117.16 122.91 3bdm n TYR 88 Ca -0.09 0.37 0.08 0.00 3.32 0.00 0.00 57.90 61.58 3bdm n TYR 88 Cb 0.42 -1.09 0.58 0.00 -0.63 0.00 0.00 39.34 38.62 3bdm n TYR 88 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 3bdm h GLU 89 N 0.00 0.00 -0.71 2.98 4.81 -1.27 -1.71 114.58 118.69 3bdm h GLU 89 Ca 0.00 0.00 -0.43 0.00 -0.13 0.00 0.00 59.36 58.80 3bdm h GLU 89 Cb 0.22 0.00 -0.25 0.00 0.63 0.00 0.00 28.75 29.35 3bdm h GLU 89 CO 0.00 0.17 0.18 0.54 -0.73 0.00 0.00 179.01 179.17 3bdm n ARG 90 N -4.08 2.40 -0.34 1.92 5.12 0.04 -4.81 116.66 116.92 3bdm n ARG 90 Ca -0.02 -3.34 0.23 0.00 -1.93 0.00 0.00 57.85 52.79 3bdm n ARG 90 Cb 0.25 -2.08 0.47 0.00 -1.16 0.00 0.00 32.46 29.93 3bdm n ARG 90 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 3bdm h ARG 91 N 1.42 0.35 -0.87 5.56 9.65 -1.35 -0.50 114.38 128.64 3bdm h ARG 91 Ca 0.43 -0.02 -0.51 0.00 -1.10 0.00 0.00 59.98 58.77 3bdm h ARG 91 Cb 1.72 -0.08 -0.28 0.00 -1.39 0.00 0.00 29.97 29.94 3bdm h ARG 91 CO 0.88 0.23 0.50 1.19 2.80 0.00 0.00 179.97 185.58 3bdm n PHE 92 N -5.01 2.76 0.00 2.20 3.01 -1.26 -4.42 117.46 114.75 3bdm n PHE 92 Ca 0.31 -2.20 0.00 0.00 1.01 0.00 0.00 57.45 56.57 3bdm n PHE 92 Cb 0.95 -0.99 0.00 0.00 -0.01 0.00 0.00 39.48 39.44 3bdm n PHE 92 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3bdm n GLY 93 N -1.05 -1.81 3.70 1.37 0.00 -0.76 -5.17 105.19 101.47 3bdm n GLY 93 Ca 0.55 0.71 -0.29 0.00 0.00 0.00 0.00 46.02 47.00 3bdm n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bdm s PRO 94 N 0.00 0.72 -0.03 1.61 0.04 -0.27 -4.86 135.00 132.21 3bdm s PRO 94 Ca 0.00 0.55 -0.25 0.00 0.04 0.00 0.00 61.00 61.34 3bdm s PRO 94 Cb 0.00 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.73 3bdm s PRO 94 CO 0.00 -2.54 0.79 0.71 0.04 0.00 0.00 177.00 176.00 3bdm s TYR 95 N -3.00 3.63 -1.37 0.56 1.51 -1.26 -4.95 117.35 112.47 3bdm s TYR 95 Ca 0.65 1.41 -0.13 0.00 -1.01 0.00 0.00 57.07 57.99 3bdm s TYR 95 Cb -0.18 -2.89 0.09 0.00 -0.11 0.00 0.00 41.96 38.87 3bdm s TYR 95 CO 0.57 0.10 2.01 1.19 -1.11 0.00 0.00 175.55 178.31 3bdm n PHE 96 N 3.61 3.62 -4.36 2.71 3.72 -1.26 -4.79 117.46 120.71 3bdm n PHE 96 Ca 0.00 -2.93 -0.18 0.00 -0.05 0.00 0.00 57.45 54.29 3bdm n PHE 96 Cb 0.51 -2.38 -0.10 0.00 -0.94 0.00 0.00 39.48 36.57 3bdm n PHE 96 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 3bdm s VAL 97 N 2.45 0.79 -0.40 -4.37 -7.23 -1.26 -1.41 120.40 108.97 3bdm s VAL 97 Ca 0.46 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.64 3bdm s VAL 97 Cb 0.10 -2.66 0.15 0.00 0.56 0.00 0.00 36.38 34.53 3bdm s VAL 97 CO -0.03 -0.03 0.26 -0.83 -0.31 0.00 0.00 175.10 174.16 3bdm s GLY 98 N -3.36 1.17 0.43 2.32 0.00 0.75 -3.64 107.32 104.99 3bdm s GLY 98 Ca 0.37 -2.23 -0.23 0.00 0.00 0.00 0.00 44.72 42.62 3bdm s GLY 98 CO 0.14 1.97 1.13 -4.14 0.00 0.00 0.00 173.10 172.20 3bdm s PRO 99 N 0.56 3.92 -0.06 2.90 0.02 -1.26 -3.22 135.00 137.86 3bdm s PRO 99 Ca 0.22 1.70 0.01 0.00 0.02 0.00 0.00 61.00 62.96 3bdm s PRO 99 Cb -0.15 -2.48 0.02 0.00 0.02 0.00 0.00 34.50 31.91 3bdm s PRO 99 CO -0.06 -0.40 -0.06 0.08 -0.33 0.00 0.00 177.00 176.23 3bdm s VAL 100 N -1.56 0.74 -0.10 3.83 1.01 0.73 -1.83 120.40 123.22 3bdm s VAL 100 Ca 0.61 -0.21 -0.00 0.00 0.00 0.00 0.00 61.98 62.38 3bdm s VAL 100 Cb -0.27 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 3bdm s VAL 100 CO 0.33 0.28 -0.08 -0.69 0.00 0.00 0.00 175.10 174.94 3bdm s VAL 101 N 1.06 3.57 -0.04 2.92 1.01 0.12 0.19 120.40 129.24 3bdm s VAL 101 Ca -0.08 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 3bdm s VAL 101 Cb -0.14 -2.49 0.01 0.00 0.00 0.00 0.00 36.38 33.76 3bdm s VAL 101 CO -0.01 0.56 0.09 0.00 0.00 0.00 0.00 175.10 175.75 3bdm s ALA 102 N -0.31 -0.23 0.00 5.51 0.00 -0.61 -0.42 121.76 125.70 3bdm s ALA 102 Ca 0.04 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.27 3bdm s ALA 102 Cb -0.13 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.83 3bdm s ALA 102 CO 0.02 -0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.15 3bdm n GLY 103 N 3.08 1.10 3.54 0.00 0.00 0.15 -0.49 105.19 112.56 3bdm n GLY 103 Ca -0.13 -0.94 -0.34 0.00 0.00 0.00 0.00 46.02 44.61 3bdm n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bdm s ILE 104 N -2.00 3.60 -0.37 -0.61 1.01 -1.26 0.33 121.20 121.90 3bdm s ILE 104 Ca 0.00 -0.51 -0.29 0.00 0.00 0.00 0.00 60.65 59.86 3bdm s ILE 104 Cb 0.00 -2.48 0.00 0.00 0.01 0.00 0.00 42.46 39.99 3bdm s ILE 104 CO 0.00 0.58 1.49 0.21 0.00 0.00 0.00 174.94 177.22 3bdm s ASN 105 N -0.54 6.28 0.42 3.58 3.84 0.72 -4.81 114.94 124.43 3bdm s ASN 105 Ca 0.08 1.00 0.24 0.00 0.21 0.00 0.00 52.86 54.39 3bdm s ASN 105 Cb -0.12 -2.54 1.26 0.00 -0.55 0.00 0.00 41.25 39.31 3bdm s ASN 105 CO 0.02 -1.44 1.70 0.77 -2.79 0.00 0.00 177.10 175.36 3bdm h SER 10 N 10.99 0.34 0.20 -4.21 4.64 -1.95 1.33 113.55 124.89 3bdm h SER 10 Ca -0.29 0.11 -0.35 0.00 -0.47 0.00 0.00 61.79 60.79 3bdm h SER 10 Cb 1.12 0.07 0.01 0.00 -0.31 0.00 0.00 62.40 63.29 3bdm h SER 10 CO 1.07 -0.04 -1.72 0.50 -0.87 0.00 0.00 176.83 175.76 3bdm h LYS 10 N 0.24 0.41 0.00 4.77 3.64 -1.98 -3.38 116.57 120.27 3bdm h LYS 10 Ca 0.70 -0.71 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3bdm h LYS 10 Cb 2.01 0.26 0.00 0.00 -0.41 0.00 0.00 32.23 34.09 3bdm h LYS 10 CO -0.35 1.34 -1.37 -1.13 -2.27 0.00 0.00 179.45 175.67 3bdm n SER 10 N -3.61 0.51 0.00 4.20 3.41 -0.74 -4.97 113.62 112.42 3bdm n SER 10 Ca -0.24 -0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.04 3bdm n SER 10 Cb 1.08 1.27 0.00 0.00 -0.26 0.00 0.00 64.21 66.30 3bdm n SER 10 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3bdm n GLY 106 N 1.36 0.58 3.74 5.00 0.00 0.45 -4.96 105.19 111.36 3bdm n GLY 106 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3bdm n GLY 106 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3bdm s LYS 107 N -0.42 4.69 0.40 1.61 2.20 -1.25 -4.67 119.74 122.30 3bdm s LYS 107 Ca 0.00 1.59 -0.24 0.00 -0.36 0.00 0.00 55.97 56.97 3bdm s LYS 107 Cb 0.00 -3.30 -0.09 0.00 -1.51 0.00 0.00 37.83 32.93 3bdm s LYS 107 CO 0.00 0.24 1.03 -2.14 -0.36 0.00 0.00 175.35 174.12 3bdm s PRO 108 N -0.56 4.16 -0.15 4.03 0.02 -1.26 -0.20 135.00 141.05 3bdm s PRO 108 Ca 0.46 1.46 -0.07 0.00 0.02 0.00 0.00 61.00 62.87 3bdm s PRO 108 Cb -0.27 -2.49 0.06 0.00 0.02 0.00 0.00 34.50 31.82 3bdm s PRO 108 CO 0.33 -0.13 0.34 0.12 -0.33 0.00 0.00 177.00 177.33 3bdm s PHE 109 N -1.72 -0.52 0.05 6.54 5.36 0.15 -4.91 117.98 122.93 3bdm s PHE 109 Ca 0.58 1.12 0.02 0.00 -0.96 0.00 0.00 56.93 57.70 3bdm s PHE 109 Cb -0.20 0.16 -0.03 0.00 -0.34 0.00 0.00 43.02 42.61 3bdm s PHE 109 CO 0.26 -0.33 -0.08 0.96 -1.46 0.00 0.00 175.22 174.56 3bdm s ILE 110 N 1.66 0.58 -0.09 3.12 -5.25 -1.25 -0.67 121.20 119.30 3bdm s ILE 110 Ca -0.07 -1.15 -0.30 0.00 -0.99 0.00 0.00 60.65 58.14 3bdm s ILE 110 Cb -0.10 -0.71 0.07 0.00 2.95 0.00 0.00 42.46 44.67 3bdm s ILE 110 CO -0.11 -0.41 0.69 0.00 -1.79 0.00 0.00 174.94 173.33 3bdm s ALA 111 N -1.52 -1.77 0.28 2.27 0.00 0.44 -3.76 121.76 117.69 3bdm s ALA 111 Ca -0.08 1.46 0.11 0.00 0.00 0.00 0.00 51.96 53.45 3bdm s ALA 111 Cb -0.09 -0.23 -0.05 0.00 0.00 0.00 0.00 23.12 22.75 3bdm s ALA 111 CO 0.00 -0.36 -0.13 0.20 0.00 0.00 0.00 175.76 175.47 3bdm s GLY 112 N -0.89 1.84 0.04 0.00 0.00 0.13 0.14 107.32 108.58 3bdm s GLY 112 Ca -0.09 -1.83 0.02 0.00 0.00 0.00 0.00 44.72 42.83 3bdm s GLY 112 CO 0.08 -1.90 -0.08 -1.36 0.00 0.00 0.00 173.10 169.85 3bdm s PHE 113 N -2.46 0.65 0.76 1.90 0.08 -0.76 -0.57 117.98 117.57 3bdm s PHE 113 Ca 0.31 -0.51 -0.02 0.00 0.12 0.00 0.00 56.93 56.82 3bdm s PHE 113 Cb -0.05 -0.39 0.14 0.00 -0.57 0.00 0.00 43.02 42.15 3bdm s PHE 113 CO 0.17 -0.09 1.04 0.16 -0.10 0.00 0.00 175.22 176.40 3bdm s ASP 114 N -1.62 4.14 0.54 1.36 3.84 -0.88 -3.98 116.67 120.07 3bdm s ASP 114 Ca -0.10 -0.35 0.36 0.00 -0.00 0.00 0.00 52.55 52.46 3bdm s ASP 114 Cb -0.10 0.05 1.91 0.00 -1.38 0.00 0.00 42.92 43.41 3bdm s ASP 114 CO 0.00 -2.01 2.10 0.17 -0.00 0.00 0.00 175.17 175.43 3bdm h LEU 115 N -0.68 0.00 -3.36 2.11 -0.00 -1.87 -2.37 115.31 109.14 3bdm h LEU 115 Ca -0.36 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.42 3bdm h LEU 115 Cb 1.26 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.86 3bdm h LEU 115 CO 0.39 0.00 0.02 2.30 -0.00 0.00 0.00 178.44 181.14 3bdm n ILE 116 N -2.80 2.47 -0.25 0.15 -5.35 -1.26 -4.43 119.36 107.88 3bdm n ILE 116 Ca -0.02 -2.17 0.00 0.00 -0.27 0.00 0.00 62.75 60.29 3bdm n ILE 116 Cb 0.09 -0.30 0.00 0.00 -1.74 0.00 0.00 39.64 37.69 3bdm n ILE 116 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3bdm n GLY 117 N -0.74 0.98 3.69 3.28 0.00 -0.89 -3.48 105.19 108.04 3bdm n GLY 117 Ca 0.29 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.87 3bdm n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bdm s ILE 119 N 1.06 5.25 -0.19 0.00 1.01 -1.26 -2.06 121.20 125.00 3bdm s ILE 119 Ca 0.77 0.55 -0.01 0.00 0.00 0.00 0.00 60.65 61.96 3bdm s ILE 119 Cb -0.59 -3.57 0.05 0.00 0.01 0.00 0.00 42.46 38.36 3bdm s ILE 119 CO 0.35 0.59 -0.01 -0.62 0.00 0.00 0.00 174.94 175.25 3bdm s ASP 120 N -0.97 3.07 -0.63 3.58 3.68 0.26 -4.99 116.67 120.67 3bdm s ASP 120 Ca 0.20 -0.84 -0.05 0.00 2.13 0.00 0.00 52.55 53.98 3bdm s ASP 120 Cb -0.14 -0.81 0.16 0.00 -1.45 0.00 0.00 42.92 40.67 3bdm s ASP 120 CO 0.09 -0.25 0.46 -0.70 0.13 0.00 0.00 175.17 174.90 3bdm s GLU 121 N 1.69 2.67 0.60 4.34 2.12 -1.26 0.19 118.70 129.05 3bdm s GLU 121 Ca -0.02 -2.39 -0.05 0.00 0.36 0.00 0.00 54.97 52.87 3bdm s GLU 121 Cb -0.17 -3.85 0.02 0.00 0.26 0.00 0.00 34.13 30.40 3bdm s GLU 121 CO -0.07 -1.19 0.89 0.00 -0.54 0.00 0.00 175.26 174.35 3bdm s ALA 122 N 0.20 3.37 -0.57 6.30 0.00 -1.25 -5.00 121.76 124.81 3bdm s ALA 122 Ca 0.15 -0.85 0.13 0.00 0.00 0.00 0.00 51.96 51.40 3bdm s ALA 122 Cb -0.19 -2.50 -0.15 0.00 0.00 0.00 0.00 23.12 20.27 3bdm s ALA 122 CO -0.04 -0.87 0.55 0.36 0.00 0.00 0.00 175.76 175.76 3bdm n LYS 12 N -2.59 2.35 -0.02 0.00 2.85 -1.26 -4.50 118.16 114.99 3bdm n LYS 12 Ca 0.05 -0.01 -0.03 0.00 -1.05 0.00 0.00 58.31 57.27 3bdm n LYS 12 Cb 0.58 -1.15 -0.01 0.00 -0.65 0.00 0.00 35.03 33.80 3bdm n LYS 12 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 3bdm n ASP 123 N -1.38 1.00 -3.57 -5.58 5.68 -1.26 -4.69 116.55 106.75 3bdm n ASP 123 Ca 0.02 0.15 -0.14 0.00 -0.50 0.00 0.00 54.79 54.33 3bdm n ASP 123 Cb 0.22 -0.45 -0.05 0.00 -1.14 0.00 0.00 41.12 39.70 3bdm n ASP 123 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 3bdm s PHE 124 N -1.95 -0.44 -0.01 2.11 -0.12 -1.26 -2.21 117.98 114.10 3bdm s PHE 124 Ca -0.10 0.49 0.05 0.00 -0.05 0.00 0.00 56.93 57.32 3bdm s PHE 124 Cb 0.01 0.35 -0.01 0.00 -0.63 0.00 0.00 43.02 42.74 3bdm s PHE 124 CO 0.15 -0.65 -0.16 0.42 -0.05 0.00 0.00 175.22 174.93 3bdm s ILE 125 N -2.43 1.30 0.17 -4.49 -1.09 -0.66 -4.80 121.20 109.20 3bdm s ILE 125 Ca -0.05 -0.70 0.08 0.00 -2.23 0.00 0.00 60.65 57.75 3bdm s ILE 125 Cb -0.01 -1.09 -0.04 0.00 -1.58 0.00 0.00 42.46 39.75 3bdm s ILE 125 CO -0.02 0.37 -0.17 0.68 -1.23 0.00 0.00 174.94 174.57 3bdm s VAL 126 N -0.35 1.77 -0.15 2.92 -7.23 -1.26 -1.42 120.40 114.68 3bdm s VAL 126 Ca 0.06 -1.94 -0.29 0.00 -1.81 0.00 0.00 61.98 58.00 3bdm s VAL 126 Cb -0.07 -1.84 0.10 0.00 0.56 0.00 0.00 36.38 35.13 3bdm s VAL 126 CO -0.00 -0.36 0.84 -0.55 -0.31 0.00 0.00 175.10 174.72 3bdm s SER 127 N -2.72 -0.54 0.00 4.85 0.15 -0.12 -4.99 113.70 110.32 3bdm s SER 127 Ca 0.16 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.55 3bdm s SER 127 Cb -0.05 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 3bdm s SER 127 CO 0.06 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 174.71 3bdm n GLY 128 N 1.29 1.45 0.33 9.45 0.00 -1.26 -0.39 105.19 116.06 3bdm n GLY 128 Ca -0.14 -2.26 0.19 0.00 0.00 0.00 0.00 46.02 43.81 3bdm n GLY 128 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3bdm h THR 129 N 0.00 0.22 -0.70 2.61 1.35 -1.73 -1.66 112.91 113.01 3bdm h THR 129 Ca 0.00 0.00 -0.48 0.00 -0.55 0.00 0.00 66.41 65.38 3bdm h THR 129 Cb 0.00 0.91 -0.32 0.00 -1.73 0.00 0.00 68.15 67.01 3bdm h THR 129 CO 0.00 0.00 -0.26 0.00 -0.25 0.00 0.00 175.52 175.01 3bdm n ALA 130 N -2.16 5.14 0.04 6.62 0.00 -1.26 -4.74 120.51 124.15 3bdm n ALA 130 Ca -0.02 -3.57 -0.03 0.00 0.00 0.00 0.00 53.44 49.82 3bdm n ALA 130 Cb 0.18 -0.75 0.20 0.00 0.00 0.00 0.00 19.45 19.08 3bdm n ALA 130 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3bdm h SER 131 N 1.85 0.41 -0.39 0.00 4.64 -1.57 -1.69 113.55 116.81 3bdm h SER 131 Ca 0.38 -0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.53 3bdm h SER 131 Cb 1.38 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.34 3bdm h SER 131 CO 0.85 0.73 0.20 0.44 -0.87 0.00 0.00 176.83 178.18 3bdm h ASP 132 N 0.35 0.50 -0.27 4.97 3.45 -1.85 -0.43 116.42 123.15 3bdm h ASP 132 Ca 0.04 -0.11 -0.01 0.00 0.43 0.00 0.00 57.03 57.38 3bdm h ASP 132 Cb 0.76 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 39.39 3bdm h ASP 132 CO 0.06 0.47 0.15 1.56 -1.57 0.00 0.00 179.24 179.91 3bdm h GLN 133 N 0.50 0.37 -0.57 3.56 7.50 -1.88 -2.12 115.11 122.47 3bdm h GLN 133 Ca 0.14 -0.04 0.05 0.00 0.50 0.00 0.00 58.65 59.30 3bdm h GLN 133 Cb 0.10 -0.07 -0.03 0.00 0.05 0.00 0.00 27.48 27.52 3bdm h GLN 133 CO -0.02 0.33 0.38 -0.07 -1.50 0.00 0.00 178.83 177.95 3bdm h LEU 134 N 0.31 0.50 -0.35 1.46 3.38 -1.00 0.57 115.31 120.18 3bdm h LEU 134 Ca 0.09 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 3bdm h LEU 134 Cb 0.06 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3bdm h LEU 134 CO -0.01 0.33 0.03 -0.26 0.09 0.00 0.00 178.44 178.62 3bdm h PHE 135 N 0.57 0.64 -0.58 1.13 0.04 -0.49 0.73 116.94 118.98 3bdm h PHE 135 Ca 0.24 -0.10 -0.08 0.00 2.80 0.00 0.00 57.97 60.83 3bdm h PHE 135 Cb 0.23 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.19 3bdm h PHE 135 CO -0.00 0.68 0.05 0.78 -0.60 0.00 0.00 178.31 179.22 3bdm h GLY 136 N 0.42 1.07 0.89 -1.45 0.00 -0.70 -0.89 103.07 102.42 3bdm h GLY 136 Ca 0.10 -0.75 -0.01 0.00 0.00 0.00 0.00 47.33 46.68 3bdm h GLY 136 CO 0.01 0.69 0.05 -0.33 0.00 0.00 0.00 176.54 176.97 3bdm h MET 137 N 0.89 0.18 0.40 4.80 2.86 -0.72 -3.09 114.93 120.25 3bdm h MET 137 Ca 0.17 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 3bdm h MET 137 Cb 0.48 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.11 3bdm h MET 137 CO 0.02 0.26 -0.19 0.00 1.06 0.00 0.00 176.91 178.06 3bdm h GLU 139 N -0.93 0.00 0.00 0.00 4.57 -1.24 -1.43 114.58 115.55 3bdm h GLU 139 Ca -0.05 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3bdm h GLU 139 Cb 0.55 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 3bdm h GLU 139 CO 0.09 0.00 -0.13 0.43 -1.18 0.00 0.00 179.01 178.22 3bdm n SER 140 N -3.44 0.31 -0.15 1.04 7.64 -1.17 -4.70 113.62 113.15 3bdm n SER 140 Ca 0.16 0.17 -0.06 0.00 1.01 0.00 0.00 58.87 60.16 3bdm n SER 140 Cb 1.14 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 3bdm n SER 140 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3bdm h LEU 141 N -0.16 -0.97 -9.48 -3.43 3.38 -1.01 -3.45 115.31 100.19 3bdm h LEU 141 Ca 0.00 0.19 -0.59 0.00 0.09 0.00 0.00 57.88 57.57 3bdm h LEU 141 Cb 0.13 0.48 0.15 0.00 0.09 0.00 0.00 40.66 41.51 3bdm h LEU 141 CO 0.00 -0.29 -0.25 0.00 0.09 0.00 0.00 178.44 177.99 3bdm n TYR 142 N -5.42 -0.12 -3.58 1.13 9.36 -0.56 -5.06 117.16 112.91 3bdm n TYR 142 Ca 0.03 0.53 -0.16 0.00 3.32 0.00 0.00 57.90 61.62 3bdm n TYR 142 Cb 0.33 -2.04 -0.07 0.00 -0.63 0.00 0.00 39.34 36.94 3bdm n TYR 142 CO 0.00 0.00 0.00 -1.83 0.22 0.00 0.00 176.86 175.25 3bdm s GLU 143 N -1.89 0.94 0.77 2.98 -1.05 -1.26 -5.00 118.70 114.19 3bdm s GLU 143 Ca 0.66 0.38 -0.14 0.00 -0.15 0.00 0.00 54.97 55.72 3bdm s GLU 143 Cb -0.53 0.45 0.06 0.00 -0.44 0.00 0.00 34.13 33.66 3bdm s GLU 143 CO 0.56 -0.25 1.20 -2.14 0.95 0.00 0.00 175.26 175.58 3bdm s PRO 144 N -0.81 1.91 -1.41 -4.83 0.02 -1.26 -4.10 135.00 124.51 3bdm s PRO 144 Ca -0.08 1.72 -0.12 0.00 0.02 0.00 0.00 61.00 62.54 3bdm s PRO 144 Cb -0.02 -1.81 0.09 0.00 0.02 0.00 0.00 34.50 32.78 3bdm s PRO 144 CO 0.07 -2.00 0.63 0.09 -0.33 0.00 0.00 177.00 175.45 3bdm n ASN 145 N -3.03 -3.86 -4.73 2.53 4.13 -1.26 -4.95 115.26 104.09 3bdm n ASN 145 Ca 0.13 -0.57 -0.31 0.00 1.68 0.00 0.00 54.58 55.51 3bdm n ASN 145 Cb 0.50 -3.16 0.12 0.00 -1.54 0.00 0.00 39.78 35.70 3bdm n ASN 145 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3bdm s LEU 146 N -6.76 2.99 0.44 3.41 1.43 -1.26 -4.14 118.68 114.78 3bdm s LEU 146 Ca 0.51 1.98 -0.05 0.00 -1.03 0.00 0.00 54.13 55.53 3bdm s LEU 146 Cb -0.27 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.37 3bdm s LEU 146 CO 0.63 -2.42 0.74 -1.61 0.23 0.00 0.00 176.35 173.92 3bdm s GLU 147 N -4.75 3.58 0.37 1.70 0.41 -1.26 0.80 118.70 119.54 3bdm s GLU 147 Ca 0.64 0.18 0.16 0.00 -0.41 0.00 0.00 54.97 55.53 3bdm s GLU 147 Cb -0.20 -2.42 1.05 0.00 -1.78 0.00 0.00 34.13 30.78 3bdm s GLU 147 CO 0.56 -0.12 1.73 -1.35 -0.49 0.00 0.00 175.26 175.59 3bdm h PRO 148 N 0.53 0.42 0.00 0.39 0.11 -1.95 0.33 132.00 131.83 3bdm h PRO 148 Ca -0.47 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 3bdm h PRO 148 Cb 1.20 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3bdm h PRO 148 CO 0.62 0.28 -0.54 0.93 -0.21 0.00 0.00 178.00 179.08 3bdm h GLU 149 N 0.43 0.00 0.05 1.05 3.07 -2.01 -2.70 114.58 114.48 3bdm h GLU 149 Ca 0.65 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 59.29 3bdm h GLU 149 Cb 1.52 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.41 3bdm h GLU 149 CO -0.41 0.54 -1.13 -0.44 -1.40 0.00 0.00 179.01 176.16 3bdm h ASP 150 N 0.00 0.18 -0.89 1.42 3.45 -1.23 -3.31 116.42 116.04 3bdm h ASP 150 Ca -0.01 -0.76 0.20 0.00 0.43 0.00 0.00 57.03 56.90 3bdm h ASP 150 Cb 1.06 -0.06 -0.06 0.00 -0.56 0.00 0.00 39.33 39.71 3bdm h ASP 150 CO 0.07 1.47 0.59 0.25 -1.57 0.00 0.00 179.24 180.06 3bdm h LEU 151 N -0.66 0.38 -0.23 1.55 5.85 -0.54 0.79 115.31 122.44 3bdm h LEU 151 Ca -0.27 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 3bdm h LEU 151 Cb 1.48 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 3bdm h LEU 151 CO -0.05 0.15 0.12 0.15 -0.34 0.00 0.00 178.44 178.48 3bdm h PHE 152 N 0.38 0.32 0.05 1.25 3.57 -1.59 0.45 116.94 121.37 3bdm h PHE 152 Ca 0.46 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.95 3bdm h PHE 152 Cb 1.18 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.82 3bdm h PHE 152 CO -0.00 0.30 -0.03 0.93 -2.23 0.00 0.00 178.31 177.27 3bdm h GLU 153 N 0.26 -0.08 0.15 1.11 4.39 -0.99 -1.26 114.58 118.15 3bdm h GLU 153 Ca 0.08 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 3bdm h GLU 153 Cb 0.08 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 3bdm h GLU 153 CO -0.01 -0.06 -0.10 1.15 -1.16 0.00 0.00 179.01 178.83 3bdm h THR 154 N -0.09 0.77 -0.02 1.13 2.02 -1.03 -0.28 112.91 115.41 3bdm h THR 154 Ca -0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 3bdm h THR 154 Cb 0.08 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 3bdm h THR 154 CO 0.00 0.00 -0.32 -0.29 0.37 0.00 0.00 175.52 175.28 3bdm h ILE 155 N -0.26 1.24 -0.17 3.11 2.10 -0.90 -1.54 117.51 121.09 3bdm h ILE 155 Ca -0.01 -1.14 -0.17 0.00 1.08 0.00 0.00 64.86 64.62 3bdm h ILE 155 Cb 0.22 1.59 -0.00 0.00 -1.09 0.00 0.00 36.82 37.54 3bdm h ILE 155 CO 0.00 0.33 -0.60 0.28 -1.08 0.00 0.00 178.15 177.08 3bdm h SER 156 N 0.03 0.66 -0.07 2.19 0.02 -0.96 -1.64 113.55 113.78 3bdm h SER 156 Ca 0.00 -0.37 -0.18 0.00 -0.84 0.00 0.00 61.79 60.40 3bdm h SER 156 Cb 0.59 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 3bdm h SER 156 CO 0.04 1.10 -0.61 1.56 -1.14 0.00 0.00 176.83 177.78 3bdm h GLN 157 N 0.43 0.68 0.17 3.45 1.08 -0.73 -1.20 115.11 119.00 3bdm h GLN 157 Ca -0.00 -0.47 -0.01 0.00 -1.45 0.00 0.00 58.65 56.72 3bdm h GLN 157 Cb 1.16 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.67 3bdm h GLN 157 CO 0.11 1.09 -0.08 0.00 -0.95 0.00 0.00 178.83 179.00 3bdm h ALA 158 N 0.81 -0.23 0.35 3.87 0.00 -1.27 -2.55 119.26 120.24 3bdm h ALA 158 Ca -0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3bdm h ALA 158 Cb 1.20 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 3bdm h ALA 158 CO 0.12 -0.51 -0.40 1.25 0.00 0.00 0.00 179.25 179.72 3bdm h LEU 159 N -0.48 -1.10 0.08 0.00 5.85 -1.29 -2.11 115.31 116.26 3bdm h LEU 159 Ca -0.02 0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3bdm h LEU 159 Cb 0.37 0.38 -0.05 0.00 0.37 0.00 0.00 40.66 41.73 3bdm h LEU 159 CO 0.04 -0.54 -0.47 -0.07 -0.34 0.00 0.00 178.44 177.07 3bdm h LEU 160 N -0.79 -1.40 -1.68 2.25 4.07 -1.26 -0.25 115.31 116.26 3bdm h LEU 160 Ca -0.02 0.16 -0.03 0.00 0.08 0.00 0.00 57.88 58.06 3bdm h LEU 160 Cb 0.72 0.53 -0.00 0.00 1.08 0.00 0.00 40.66 42.98 3bdm h LEU 160 CO -0.09 -0.51 -0.16 0.78 -1.08 0.00 0.00 178.44 177.38 3bdm h ASN 161 N -0.67 0.00 -0.00 -0.43 2.35 -1.50 -1.72 115.58 113.61 3bdm h ASN 161 Ca 0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3bdm h ASN 161 Cb 0.71 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.08 3bdm h ASN 161 CO -0.29 0.16 -0.03 0.00 -1.65 0.00 0.00 177.43 175.62 3bdm h ALA 162 N 1.84 0.01 -0.48 -0.83 0.00 -1.02 -3.27 119.26 115.51 3bdm h ALA 162 Ca -0.00 -0.36 0.05 0.00 0.00 0.00 0.00 54.91 54.59 3bdm h ALA 162 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3bdm h ALA 162 CO 0.02 -0.12 0.32 0.00 0.00 0.00 0.00 179.25 179.48 3bdm h ALA 163 N 0.30 1.88 0.00 0.00 0.00 -0.70 -2.09 119.26 118.65 3bdm h ALA 163 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3bdm h ALA 163 Cb 0.74 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3bdm h ALA 163 CO 0.01 0.04 0.00 -0.25 0.00 0.00 0.00 179.25 179.05 3bdm n ASP 164 N -4.48 0.00 -0.70 0.00 10.43 -0.68 -1.89 116.55 119.23 3bdm n ASP 164 Ca 0.06 0.28 0.06 0.00 2.57 0.00 0.00 54.79 57.77 3bdm n ASP 164 Cb 0.22 -0.40 0.17 0.00 1.84 0.00 0.00 41.12 42.94 3bdm n ASP 164 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3bdm n ARG 165 N -1.40 2.78 -3.98 -1.24 5.12 -0.79 -4.90 116.66 112.25 3bdm n ARG 165 Ca 0.06 -2.08 -0.30 0.00 -1.93 0.00 0.00 57.85 53.60 3bdm n ARG 165 Cb 0.17 -1.30 -0.16 0.00 -1.16 0.00 0.00 32.46 30.01 3bdm n ARG 165 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3bdm s ASP 166 N -1.00 2.85 0.59 0.55 3.68 -0.79 -5.00 116.67 117.54 3bdm s ASP 166 Ca 0.25 -0.60 0.33 0.00 2.13 0.00 0.00 52.55 54.67 3bdm s ASP 166 Cb 0.13 -1.12 1.86 0.00 -1.45 0.00 0.00 42.92 42.34 3bdm s ASP 166 CO 0.17 -0.11 2.22 0.00 0.13 0.00 0.00 175.17 177.59 3bdm h ALA 167 N 8.05 1.28 -0.61 3.66 0.00 -1.90 -2.57 119.26 127.17 3bdm h ALA 167 Ca -0.32 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3bdm h ALA 167 Cb 1.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3bdm h ALA 167 CO 0.48 0.04 0.00 1.28 0.00 0.00 0.00 179.25 181.06 3bdm n LEU 168 N -3.54 3.71 -4.26 0.00 4.77 -1.26 -4.95 117.00 111.47 3bdm n LEU 168 Ca -0.02 -1.78 -0.16 0.00 -0.03 0.00 0.00 56.01 54.01 3bdm n LEU 168 Cb 0.14 -0.41 -0.11 0.00 -2.33 0.00 0.00 43.42 40.71 3bdm n LEU 168 CO 0.26 0.89 -0.43 -0.44 -1.33 0.00 0.00 177.39 176.34 3bdm s SER 169 N -1.16 1.97 0.00 -1.43 0.01 -0.97 -2.07 113.70 110.06 3bdm s SER 169 Ca 0.45 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 56.79 3bdm s SER 169 Cb 0.24 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.42 3bdm s SER 169 CO 0.32 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.36 3bdm n GLY 170 N 0.13 0.24 2.28 3.44 0.00 -1.26 -4.76 105.19 105.25 3bdm n GLY 170 Ca -0.12 -2.04 -0.13 0.00 0.00 0.00 0.00 46.02 43.72 3bdm n GLY 170 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3bdm n TRP 171 N 0.00 -0.48 0.00 1.61 7.02 -1.26 -2.26 117.44 122.07 3bdm n TRP 171 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3bdm n TRP 171 Cb 0.00 -2.75 0.00 0.00 -2.42 0.00 0.00 31.31 26.14 3bdm n TRP 171 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3bdm n GLY 172 N -1.10 3.08 3.42 6.99 0.00 -1.26 -4.53 105.19 111.80 3bdm n GLY 172 Ca -0.15 -1.97 -0.13 0.00 0.00 0.00 0.00 46.02 43.77 3bdm n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bdm s ALA 173 N -2.96 -1.55 0.02 4.61 0.00 -1.26 -0.54 121.76 120.08 3bdm s ALA 173 Ca 0.00 0.58 0.02 0.00 0.00 0.00 0.00 51.96 52.56 3bdm s ALA 173 Cb 0.00 0.69 -0.01 0.00 0.00 0.00 0.00 23.12 23.80 3bdm s ALA 173 CO 0.00 -0.68 -0.08 0.54 0.00 0.00 0.00 175.76 175.55 3bdm s VAL 174 N -3.25 0.58 -0.05 0.00 0.11 -0.45 -1.00 120.40 116.33 3bdm s VAL 174 Ca -0.01 -0.67 0.02 0.00 -2.93 0.00 0.00 61.98 58.39 3bdm s VAL 174 Cb -0.01 -0.56 0.02 0.00 -1.53 0.00 0.00 36.38 34.30 3bdm s VAL 174 CO -0.08 -0.09 -0.09 -0.69 -3.33 0.00 0.00 175.10 170.82 3bdm s VAL 175 N -0.71 0.88 -0.17 2.04 1.01 0.45 -2.00 120.40 121.90 3bdm s VAL 175 Ca -0.03 -0.34 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 3bdm s VAL 175 Cb -0.06 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 3bdm s VAL 175 CO 0.00 0.30 0.00 -0.31 0.00 0.00 0.00 175.10 175.09 3bdm s TYR 176 N 0.69 3.10 -0.24 5.22 2.02 -0.28 -1.34 117.35 126.52 3bdm s TYR 176 Ca -0.12 -0.20 -0.02 0.00 -0.37 0.00 0.00 57.07 56.35 3bdm s TYR 176 Cb -0.15 -2.02 0.01 0.00 -0.40 0.00 0.00 41.96 39.41 3bdm s TYR 176 CO 0.02 -0.01 -0.06 0.42 -1.57 0.00 0.00 175.55 174.36 3bdm s ILE 177 N 0.48 3.02 -0.17 2.71 -1.09 -0.36 -2.02 121.20 123.78 3bdm s ILE 177 Ca -0.01 -0.85 -0.03 0.00 -2.23 0.00 0.00 60.65 57.53 3bdm s ILE 177 Cb -0.14 -2.47 -0.02 0.00 -1.58 0.00 0.00 42.46 38.25 3bdm s ILE 177 CO 0.02 0.28 -0.05 -0.63 -1.23 0.00 0.00 174.94 173.33 3bdm s ILE 178 N 1.38 3.67 0.22 2.92 1.09 0.09 -1.49 121.20 129.07 3bdm s ILE 178 Ca 0.02 -0.43 0.08 0.00 -1.10 0.00 0.00 60.65 59.23 3bdm s ILE 178 Cb -0.16 -2.62 -0.05 0.00 -1.06 0.00 0.00 42.46 38.58 3bdm s ILE 178 CO -0.04 0.48 -0.15 -0.54 -0.10 0.00 0.00 174.94 174.58 3bdm s LYS 179 N 0.64 1.38 0.59 2.79 1.02 -0.37 -1.69 119.74 124.11 3bdm s LYS 179 Ca -0.03 -1.62 0.24 0.00 0.02 0.00 0.00 55.97 54.58 3bdm s LYS 179 Cb -0.15 -1.22 1.31 0.00 -0.52 0.00 0.00 37.83 37.26 3bdm s LYS 179 CO 0.02 0.21 1.72 0.87 -0.92 0.00 0.00 175.35 177.25 3bdm h LYS 181 N 2.51 0.00 0.00 1.68 1.79 -1.95 -3.16 116.57 117.44 3bdm h LYS 181 Ca -0.38 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 57.97 3bdm h LYS 181 Cb 1.23 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.86 3bdm h LYS 181 CO 0.62 0.00 -1.41 -0.40 -1.08 0.00 0.00 179.45 177.18 3bdm n ASP 182 N -2.68 2.01 -4.36 0.86 5.75 -1.26 -5.10 116.55 111.77 3bdm n ASP 182 Ca -0.02 0.03 -0.19 0.00 -0.01 0.00 0.00 54.79 54.60 3bdm n ASP 182 Cb 0.42 -0.16 -0.10 0.00 -1.03 0.00 0.00 41.12 40.24 3bdm n ASP 182 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 3bdm s GLU 183 N -2.14 1.38 -0.07 0.11 -1.05 -1.20 -5.14 118.70 110.59 3bdm s GLU 183 Ca -0.10 -1.64 -0.00 0.00 -0.15 0.00 0.00 54.97 53.08 3bdm s GLU 183 Cb 0.03 -1.07 0.02 0.00 -0.44 0.00 0.00 34.13 32.67 3bdm s GLU 183 CO 0.15 0.12 -0.04 0.08 0.95 0.00 0.00 175.26 176.52 3bdm s VAL 184 N -3.03 0.63 -0.16 1.83 1.01 -1.26 -1.23 120.40 118.18 3bdm s VAL 184 Ca 0.24 -0.09 -0.03 0.00 0.00 0.00 0.00 61.98 62.11 3bdm s VAL 184 Cb 0.01 -0.70 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 3bdm s VAL 184 CO 0.08 0.28 -0.05 -0.69 0.00 0.00 0.00 175.10 174.72 3bdm s VAL 185 N 1.50 3.65 -0.27 2.92 1.01 -0.56 -4.95 120.40 123.71 3bdm s VAL 185 Ca -0.01 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 3bdm s VAL 185 Cb -0.13 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.66 3bdm s VAL 185 CO -0.04 0.48 0.01 -0.75 0.00 0.00 0.00 175.10 174.81 3bdm s LYS 186 N 0.59 3.06 0.07 2.72 2.20 -1.26 -1.22 119.74 125.89 3bdm s LYS 186 Ca -0.04 -0.85 0.09 0.00 -0.36 0.00 0.00 55.97 54.81 3bdm s LYS 186 Cb -0.15 -3.18 -0.03 0.00 -1.51 0.00 0.00 37.83 32.97 3bdm s LYS 186 CO 0.03 -0.38 -0.23 1.03 -0.36 0.00 0.00 175.35 175.44 3bdm s ARG 187 N 1.44 1.82 -0.13 4.03 0.52 -0.45 -4.96 118.95 121.21 3bdm s ARG 187 Ca 0.02 -1.12 -0.06 0.00 -0.52 0.00 0.00 55.73 54.06 3bdm s ARG 187 Cb -0.16 -2.05 -0.04 0.00 0.52 0.00 0.00 34.95 33.22 3bdm s ARG 187 CO -0.01 0.51 0.08 0.71 0.02 0.00 0.00 175.30 176.61 3bdm s TYR 188 N -0.92 3.37 0.29 -0.53 1.51 -1.26 -0.42 117.35 119.40 3bdm s TYR 188 Ca 0.14 0.30 0.00 0.00 -1.01 0.00 0.00 57.07 56.50 3bdm s TYR 188 Cb -0.10 -1.95 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 3bdm s TYR 188 CO 0.05 0.48 0.49 -0.51 -1.11 0.00 0.00 175.55 174.95 3bdm s LEU 189 N -0.51 4.10 -0.27 -1.29 1.43 -0.17 -4.99 118.68 116.98 3bdm s LEU 189 Ca 0.11 0.43 -0.10 0.00 -1.03 0.00 0.00 54.13 53.54 3bdm s LEU 189 Cb -0.12 -3.26 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 3bdm s LEU 189 CO 0.02 -0.20 0.15 -0.75 0.23 0.00 0.00 176.35 175.80 3bdm s LYS 190 N -3.96 3.86 0.24 1.70 2.20 -1.26 -4.33 119.74 118.19 3bdm s LYS 190 Ca 0.39 -0.37 -0.10 0.00 -0.36 0.00 0.00 55.97 55.54 3bdm s LYS 190 Cb -0.10 -3.54 -0.01 0.00 -1.51 0.00 0.00 37.83 32.67 3bdm s LYS 190 CO 0.33 -0.17 0.40 0.00 -0.36 0.00 0.00 175.35 175.55 3bdm s MET 191 N 1.67 1.48 0.83 4.03 0.23 -1.26 -5.09 119.30 121.19 3bdm s MET 191 Ca 0.07 -1.35 -0.15 0.00 -1.03 0.00 0.00 55.69 53.23 3bdm s MET 191 Cb -0.16 0.43 -0.00 0.00 -1.53 0.00 0.00 34.83 33.57 3bdm s MET 191 CO 0.08 -0.59 0.49 0.54 -2.03 0.00 0.00 175.02 173.52 3bdm n ARG 192 N -0.36 0.04 -1.00 3.16 1.74 -1.26 -4.84 116.66 114.14 3bdm n ARG 192 Ca -0.01 0.06 0.03 0.00 -0.77 0.00 0.00 57.85 57.17 3bdm n ARG 192 Cb 0.63 -1.86 0.14 0.00 -1.02 0.00 0.00 32.46 30.35 3bdm n ARG 192 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3bdm n GLN 193 N -1.23 1.36 0.00 5.56 1.13 -1.26 -4.19 117.38 118.74 3bdm n GLN 193 Ca 0.09 -3.06 0.05 0.00 -1.94 0.00 0.00 57.00 52.14 3bdm n GLN 193 Cb 0.52 -1.27 0.04 0.00 0.11 0.00 0.00 30.24 29.64 3bdm n GLN 193 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22