#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bdm n GLN -7 N 0.00 1.84 -3.71 -2.82 10.64 -1.26 -5.06 117.38 117.00 3bdm n GLN -7 Ca 0.00 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 55.05 3bdm n GLN -7 Cb 0.00 0.00 -0.13 0.00 -0.86 0.00 0.00 30.24 29.25 3bdm n GLN -7 CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 3bdm s GLN -6 N -1.72 0.23 0.51 2.61 -2.07 -1.26 -5.09 119.66 112.87 3bdm s GLN -6 Ca 0.00 0.60 -0.22 0.00 -1.82 0.00 0.00 55.36 53.92 3bdm s GLN -6 Cb 0.00 -0.09 -0.07 0.00 -1.09 0.00 0.00 33.01 31.76 3bdm s GLN -6 CO 0.00 -0.18 1.23 -0.35 -1.32 0.00 0.00 175.29 174.68 3bdm n PRO -5 N 4.36 1.60 0.02 9.60 -0.04 -1.26 -4.98 135.00 144.31 3bdm n PRO -5 Ca -0.23 0.58 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 3bdm n PRO -5 Cb 0.53 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 3bdm n PRO -5 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3bdm n ILE -4 N -0.87 0.48 -3.42 0.52 5.41 -1.26 -4.99 119.36 115.24 3bdm n ILE -4 Ca 0.10 0.16 -0.38 0.00 1.00 0.00 0.00 62.75 63.62 3bdm n ILE -4 Cb 0.43 -1.16 -0.08 0.00 -0.71 0.00 0.00 39.64 38.13 3bdm n ILE -4 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3bdm s VAL -3 N -1.42 5.21 0.21 1.39 1.01 -1.26 -4.18 120.40 121.37 3bdm s VAL -3 Ca 0.00 0.63 0.09 0.00 0.00 0.00 0.00 61.98 62.70 3bdm s VAL -3 Cb 0.00 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 3bdm s VAL -3 CO 0.00 0.25 -0.17 0.42 0.00 0.00 0.00 175.10 175.60 3bdm s THR -2 N 1.41 1.97 0.07 3.92 -4.23 0.12 0.29 115.64 119.19 3bdm s THR -2 Ca 0.17 -2.19 0.05 0.00 -1.18 0.00 0.00 61.69 58.54 3bdm s THR -2 Cb -0.15 -2.07 -0.04 0.00 1.34 0.00 0.00 72.50 71.59 3bdm s THR -2 CO 0.08 -0.47 -0.05 -0.83 -0.54 0.00 0.00 174.62 172.81 3bdm s GLY -1 N -3.20 1.83 0.00 3.99 0.00 0.10 -0.90 107.32 109.14 3bdm s GLY -1 Ca 0.23 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 43.82 3bdm s GLY -1 CO 0.09 -1.07 0.00 -0.37 0.00 0.00 0.00 173.10 171.74 3bdm n THR 1 N 0.91 0.00 -1.36 0.90 5.66 -1.26 -2.21 114.28 116.91 3bdm n THR 1 Ca -0.13 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.48 3bdm n THR 1 Cb 0.52 -0.02 0.02 0.00 -1.55 0.00 0.00 70.33 69.31 3bdm n THR 1 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 3bdm n SER 2 N 0.00 -2.23 -3.72 1.09 7.64 -1.26 -4.60 113.62 110.54 3bdm n SER 2 Ca 0.00 0.73 -0.23 0.00 1.01 0.00 0.00 58.87 60.38 3bdm n SER 2 Cb 0.00 -1.01 -0.18 0.00 -1.01 0.00 0.00 64.21 62.01 3bdm n SER 2 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3bdm s VAL 3 N -1.81 0.20 0.25 0.44 1.01 -1.25 -4.33 120.40 114.91 3bdm s VAL 3 Ca 0.63 0.12 0.11 0.00 0.00 0.00 0.00 61.98 62.84 3bdm s VAL 3 Cb -0.50 -0.47 -0.05 0.00 0.00 0.00 0.00 36.38 35.36 3bdm s VAL 3 CO 0.60 0.14 -0.19 0.27 0.00 0.00 0.00 175.10 175.92 3bdm s ILE 4 N 2.04 2.57 -0.05 2.22 -4.36 -0.62 -1.01 121.20 121.99 3bdm s ILE 4 Ca 0.04 -2.23 -0.31 0.00 -0.26 0.00 0.00 60.65 57.89 3bdm s ILE 4 Cb -0.13 -2.32 0.11 0.00 1.25 0.00 0.00 42.46 41.37 3bdm s ILE 4 CO -0.05 -0.31 1.04 -0.94 0.24 0.00 0.00 174.94 174.92 3bdm s SER 5 N -3.28 -0.24 0.32 4.36 1.04 -0.10 -1.11 113.70 114.70 3bdm s SER 5 Ca 0.28 -0.06 -0.18 0.00 0.48 0.00 0.00 55.95 56.47 3bdm s SER 5 Cb -0.06 0.29 0.03 0.00 0.10 0.00 0.00 66.02 66.38 3bdm s SER 5 CO 0.14 -0.49 0.73 0.00 0.98 0.00 0.00 173.24 174.60 3bdm s MET 6 N -2.83 1.95 -0.03 4.02 0.23 -0.95 -1.07 119.30 120.61 3bdm s MET 6 Ca 0.08 -1.20 0.05 0.00 -1.03 0.00 0.00 55.69 53.60 3bdm s MET 6 Cb -0.00 0.60 -0.01 0.00 -1.53 0.00 0.00 34.83 33.89 3bdm s MET 6 CO -0.06 -0.90 -0.19 -1.59 -2.03 0.00 0.00 175.02 170.26 3bdm s LYS 7 N -3.29 1.76 0.00 3.16 -2.85 -0.84 -1.64 119.74 116.04 3bdm s LYS 7 Ca 0.14 -0.67 0.00 0.00 -1.00 0.00 0.00 55.97 54.44 3bdm s LYS 7 Cb -0.05 -1.59 0.00 0.00 -2.06 0.00 0.00 37.83 34.12 3bdm s LYS 7 CO 0.09 0.33 0.00 2.48 0.10 0.00 0.00 175.35 178.35 3bdm n TYR 8 N 2.90 -1.29 0.23 1.78 4.11 -0.30 -4.85 117.16 119.74 3bdm n TYR 8 Ca -0.17 0.00 0.06 0.00 -0.00 0.00 0.00 57.90 57.79 3bdm n TYR 8 Cb 0.53 0.00 0.53 0.00 -0.00 0.00 0.00 39.34 40.40 3bdm n TYR 8 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.86 177.24 3bdm h ASP 9 N 0.00 0.00 -0.01 9.48 3.04 -0.37 -3.25 116.42 125.32 3bdm h ASP 9 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3bdm h ASP 9 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 3bdm h ASP 9 CO 0.00 0.16 -0.04 0.59 -2.04 0.00 0.00 179.24 177.91 3bdm n ASN 10 N -4.30 1.27 0.00 4.15 5.03 -1.26 -4.84 115.26 115.30 3bdm n ASN 10 Ca -0.02 -1.13 0.00 0.00 0.87 0.00 0.00 54.58 54.29 3bdm n ASN 10 Cb 0.23 0.16 0.00 0.00 -1.02 0.00 0.00 39.78 39.15 3bdm n ASN 10 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3bdm n GLY 11 N 0.44 -0.96 3.14 7.41 0.00 -1.23 -1.07 105.19 112.92 3bdm n GLY 11 Ca 0.03 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 3bdm n GLY 11 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bdm s VAL 12 N -4.00 0.18 0.01 1.61 -7.23 -0.85 -1.15 120.40 108.98 3bdm s VAL 12 Ca 0.00 -1.61 0.05 0.00 -1.81 0.00 0.00 61.98 58.61 3bdm s VAL 12 Cb 0.00 -1.51 -0.02 0.00 0.56 0.00 0.00 36.38 35.41 3bdm s VAL 12 CO 0.00 -0.83 -0.15 -0.63 -0.31 0.00 0.00 175.10 173.18 3bdm s ILE 13 N -3.91 1.17 -0.07 -0.62 1.01 -0.65 -1.15 121.20 116.98 3bdm s ILE 13 Ca 0.08 -0.82 -0.07 0.00 0.00 0.00 0.00 60.65 59.83 3bdm s ILE 13 Cb 0.07 -1.02 0.02 0.00 0.01 0.00 0.00 42.46 41.54 3bdm s ILE 13 CO -0.09 0.18 0.20 -0.51 0.00 0.00 0.00 174.94 174.72 3bdm s ILE 14 N -0.59 0.00 0.05 2.92 2.07 -0.41 -2.24 121.20 123.00 3bdm s ILE 14 Ca 0.04 -0.02 -0.05 0.00 -1.41 0.00 0.00 60.65 59.21 3bdm s ILE 14 Cb -0.07 -0.30 -0.01 0.00 0.13 0.00 0.00 42.46 42.21 3bdm s ILE 14 CO 0.00 -0.01 0.09 0.00 -1.91 0.00 0.00 174.94 173.11 3bdm s ALA 15 N 0.06 0.01 -0.27 1.50 0.00 -0.26 -0.80 121.76 122.00 3bdm s ALA 15 Ca -0.00 -0.68 -0.23 0.00 0.00 0.00 0.00 51.96 51.04 3bdm s ALA 15 Cb -0.02 0.29 0.08 0.00 0.00 0.00 0.00 23.12 23.48 3bdm s ALA 15 CO 0.00 -0.36 0.78 0.00 0.00 0.00 0.00 175.76 176.18 3bdm s ALA 16 N -3.04 -1.85 0.87 0.00 0.00 -0.88 -1.59 121.76 115.26 3bdm s ALA 16 Ca -0.01 2.08 -0.11 0.00 0.00 0.00 0.00 51.96 53.91 3bdm s ALA 16 Cb 0.01 -1.29 0.11 0.00 0.00 0.00 0.00 23.12 21.96 3bdm s ALA 16 CO -0.07 -0.33 1.09 0.16 0.00 0.00 0.00 175.76 176.62 3bdm s ASP 17 N 0.61 3.75 -0.60 0.00 3.84 -1.26 -1.36 116.67 121.65 3bdm s ASP 17 Ca -0.02 1.46 -0.02 0.00 -0.00 0.00 0.00 52.55 53.97 3bdm s ASP 17 Cb -0.05 -2.15 0.42 0.00 -1.38 0.00 0.00 42.92 39.76 3bdm s ASP 17 CO -0.05 -2.46 2.03 0.59 -0.00 0.00 0.00 175.17 175.28 3bdm n ASN 18 N -3.77 7.36 -4.83 2.11 3.02 -0.66 -4.58 115.26 113.91 3bdm n ASN 18 Ca 0.07 -3.66 -0.31 0.00 -0.03 0.00 0.00 54.58 50.65 3bdm n ASN 18 Cb 0.55 -0.99 -0.06 0.00 -0.61 0.00 0.00 39.78 38.68 3bdm n ASN 18 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3bdm s LEU 19 N -3.48 4.04 -0.41 3.41 2.96 -1.26 -2.43 118.68 121.52 3bdm s LEU 19 Ca 0.59 0.13 0.02 0.00 -0.22 0.00 0.00 54.13 54.65 3bdm s LEU 19 Cb 0.46 -2.60 0.13 0.00 0.50 0.00 0.00 46.19 44.68 3bdm s LEU 19 CO -0.00 0.20 0.21 -0.83 -1.32 0.00 0.00 176.35 174.60 3bdm s GLY 20 N -2.27 1.53 0.56 7.98 0.00 0.82 -4.56 107.32 111.38 3bdm s GLY 20 Ca 0.30 -2.40 -0.14 0.00 0.00 0.00 0.00 44.72 42.48 3bdm s GLY 20 CO 0.22 1.57 1.01 -0.56 0.00 0.00 0.00 173.10 175.34 3bdm s SER 21 N 0.62 6.43 -0.44 1.64 0.01 -0.08 -1.06 113.70 120.82 3bdm s SER 21 Ca 0.16 1.52 0.05 0.00 1.31 0.00 0.00 55.95 58.99 3bdm s SER 21 Cb -0.23 -2.49 0.20 0.00 0.21 0.00 0.00 66.02 63.70 3bdm s SER 21 CO -0.04 -0.73 0.43 0.00 0.41 0.00 0.00 173.24 173.31 3bdm n TYR 22 N -2.08 -0.27 0.00 2.43 4.19 -0.60 0.15 117.16 120.99 3bdm n TYR 22 Ca 0.06 -3.49 0.00 0.00 3.31 0.00 0.00 57.90 57.78 3bdm n TYR 22 Cb 0.54 -0.03 0.00 0.00 0.49 0.00 0.00 39.34 40.34 3bdm n TYR 22 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3bdm n GLY 23 N 2.24 0.70 0.01 2.98 0.00 -1.26 -3.09 105.19 106.77 3bdm n GLY 23 Ca 0.26 -0.80 0.11 0.00 0.00 0.00 0.00 46.02 45.60 3bdm n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3bdm n SER 24 N 5.88 0.73 -4.64 1.61 3.41 -1.26 -4.84 113.62 114.51 3bdm n SER 24 Ca 0.00 -0.57 -0.43 0.00 -0.26 0.00 0.00 58.87 57.61 3bdm n SER 24 Cb 0.00 0.79 -0.02 0.00 -0.26 0.00 0.00 64.21 64.72 3bdm n SER 24 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3bdm s LEU 25 N -3.28 3.99 -1.47 1.04 2.96 -1.18 -4.91 118.68 115.83 3bdm s LEU 25 Ca 0.07 1.35 -0.14 0.00 -0.22 0.00 0.00 54.13 55.19 3bdm s LEU 25 Cb 0.16 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.33 3bdm s LEU 25 CO 0.81 -0.93 2.31 0.18 -1.32 0.00 0.00 176.35 177.39 3bdm n LEU 26 N 7.14 7.05 -0.03 -0.68 4.77 -1.26 -1.55 117.00 132.43 3bdm n LEU 26 Ca 0.14 -4.15 -0.09 0.00 -0.03 0.00 0.00 56.01 51.87 3bdm n LEU 26 Cb 0.46 -1.64 -0.03 0.00 -2.33 0.00 0.00 43.42 39.87 3bdm n LEU 26 CO 0.60 1.20 0.90 -0.09 -1.33 0.00 0.00 177.39 178.66 3bdm h ARG 27 N 5.91 0.13 -6.12 3.23 2.43 -1.90 -3.45 114.38 114.61 3bdm h ARG 27 Ca 0.60 -0.01 -0.69 0.00 -0.81 0.00 0.00 59.98 59.08 3bdm h ARG 27 Cb 0.60 -0.03 -0.28 0.00 -0.42 0.00 0.00 29.97 29.84 3bdm h ARG 27 CO 1.88 0.09 -0.83 -0.06 -1.51 0.00 0.00 179.97 179.53 3bdm s PHE 28 N -6.18 2.56 -0.26 2.20 0.08 -0.23 -4.99 117.98 111.15 3bdm s PHE 28 Ca -0.13 -0.48 0.02 0.00 0.12 0.00 0.00 56.93 56.46 3bdm s PHE 28 Cb 0.09 -1.63 0.02 0.00 -0.57 0.00 0.00 43.02 40.93 3bdm s PHE 28 CO 0.69 -0.05 0.59 0.09 -0.10 0.00 0.00 175.22 176.43 3bdm n ASN 29 N 2.73 1.23 -1.70 1.36 4.13 -1.26 -0.13 115.26 121.62 3bdm n ASN 29 Ca -0.17 -1.13 -0.17 0.00 1.68 0.00 0.00 54.58 54.78 3bdm n ASN 29 Cb 0.52 -0.00 0.11 0.00 -1.54 0.00 0.00 39.78 38.87 3bdm n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3bdm n GLY 30 N 0.10 5.67 3.60 7.41 0.00 -1.24 -4.70 105.19 116.03 3bdm n GLY 30 Ca 0.01 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 3bdm n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bdm s VAL 31 N -4.06 4.80 -0.49 1.61 1.01 -1.02 -5.01 120.40 117.24 3bdm s VAL 31 Ca 0.51 1.02 -0.20 0.00 0.00 0.00 0.00 61.98 63.31 3bdm s VAL 31 Cb 0.43 -4.14 0.05 0.00 0.00 0.00 0.00 36.38 32.71 3bdm s VAL 31 CO 0.01 -0.30 0.64 -0.70 0.00 0.00 0.00 175.10 174.75 3bdm s GLU 32 N 2.95 3.16 -0.10 2.72 2.56 -1.26 -4.10 118.70 124.63 3bdm s GLU 32 Ca 0.31 -0.75 0.15 0.00 0.00 0.00 0.00 54.97 54.68 3bdm s GLU 32 Cb -0.14 -4.06 0.61 0.00 2.00 0.00 0.00 34.13 32.54 3bdm s GLU 32 CO 0.14 -1.18 1.48 0.54 -0.56 0.00 0.00 175.26 175.68 3bdm n ARG 33 N 6.25 3.36 -3.85 4.30 1.74 -1.26 -4.76 116.66 122.44 3bdm n ARG 33 Ca -0.05 -2.39 -0.36 0.00 -0.77 0.00 0.00 57.85 54.29 3bdm n ARG 33 Cb 0.46 -1.83 -0.13 0.00 -1.02 0.00 0.00 32.46 29.94 3bdm n ARG 33 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3bdm s LEU 34 N -1.67 4.16 -0.38 0.55 1.43 -1.26 -1.48 118.68 120.02 3bdm s LEU 34 Ca 0.43 -1.33 -0.14 0.00 -1.03 0.00 0.00 54.13 52.06 3bdm s LEU 34 Cb 0.28 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.74 3bdm s LEU 34 CO 0.20 -0.31 0.28 -0.63 0.23 0.00 0.00 176.35 176.12 3bdm s ILE 35 N 1.28 5.26 -0.00 -0.59 -1.09 0.13 -4.92 121.20 121.27 3bdm s ILE 35 Ca -0.03 -0.42 -0.21 0.00 -2.23 0.00 0.00 60.65 57.77 3bdm s ILE 35 Cb -0.20 -3.83 -0.05 0.00 -1.58 0.00 0.00 42.46 36.80 3bdm s ILE 35 CO -0.00 -0.17 0.62 -2.84 -1.23 0.00 0.00 174.94 171.32 3bdm s PRO 36 N 1.73 4.35 -0.38 2.79 0.02 -1.26 0.78 135.00 143.03 3bdm s PRO 36 Ca 0.06 0.78 0.04 0.00 0.02 0.00 0.00 61.00 61.89 3bdm s PRO 36 Cb -0.18 -3.35 0.11 0.00 0.02 0.00 0.00 34.50 31.09 3bdm s PRO 36 CO 0.10 0.33 0.10 0.08 -0.33 0.00 0.00 177.00 177.29 3bdm s VAL 37 N -0.10 2.40 0.00 3.83 1.01 0.34 -4.95 120.40 122.94 3bdm s VAL 37 Ca 0.32 -2.51 0.00 0.00 0.00 0.00 0.00 61.98 59.80 3bdm s VAL 37 Cb -0.18 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.45 3bdm s VAL 37 CO 0.18 -0.64 0.00 0.61 0.00 0.00 0.00 175.10 175.25 3bdm n GLY 38 N 4.07 0.59 1.81 4.51 0.00 -1.26 -3.86 105.19 111.04 3bdm n GLY 38 Ca 0.04 -1.05 -0.02 0.00 0.00 0.00 0.00 46.02 44.99 3bdm n GLY 38 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3bdm n ASP 39 N 3.64 -0.22 0.00 1.61 3.85 -1.26 -4.79 116.55 119.38 3bdm n ASP 39 Ca 0.00 -2.06 0.00 0.00 -0.71 0.00 0.00 54.79 52.02 3bdm n ASP 39 Cb 0.00 0.12 0.00 0.00 -1.35 0.00 0.00 41.12 39.89 3bdm n ASP 39 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 3bdm n ASN 40 N -0.34 0.00 -3.74 -1.12 2.04 -1.26 -4.24 115.26 106.59 3bdm n ASN 40 Ca -0.12 -1.00 -0.13 0.00 -0.44 0.00 0.00 54.58 52.90 3bdm n ASN 40 Cb 0.87 0.00 -0.13 0.00 -2.53 0.00 0.00 39.78 37.99 3bdm n ASN 40 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 3bdm s THR 41 N 0.00 -0.04 -0.06 5.53 2.01 -1.25 -1.26 115.64 120.58 3bdm s THR 41 Ca 0.00 0.13 0.03 0.00 0.31 0.00 0.00 61.69 62.16 3bdm s THR 41 Cb 0.00 -0.35 0.01 0.00 0.01 0.00 0.00 72.50 72.16 3bdm s THR 41 CO 0.00 0.05 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.16 3bdm s VAL 42 N 1.09 1.21 -0.26 3.82 1.01 0.15 -0.51 120.40 126.92 3bdm s VAL 42 Ca -0.08 -0.55 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 3bdm s VAL 42 Cb -0.09 -1.08 0.02 0.00 0.00 0.00 0.00 36.38 35.23 3bdm s VAL 42 CO -0.07 0.37 -0.02 -0.69 0.00 0.00 0.00 175.10 174.68 3bdm s VAL 43 N 0.42 3.12 -0.22 2.92 1.01 0.23 -0.48 120.40 127.40 3bdm s VAL 43 Ca -0.10 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 60.78 3bdm s VAL 43 Cb -0.14 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.58 3bdm s VAL 43 CO 0.03 0.14 0.18 -0.83 0.00 0.00 0.00 175.10 174.62 3bdm s GLY 44 N 1.35 2.02 -0.03 4.51 0.00 -0.44 0.22 107.32 114.96 3bdm s GLY 44 Ca 0.00 -0.79 0.07 0.00 0.00 0.00 0.00 44.72 44.00 3bdm s GLY 44 CO -0.03 0.37 -0.23 -0.42 0.00 0.00 0.00 173.10 172.80 3bdm s ILE 45 N 0.88 2.31 0.09 0.90 1.01 -0.55 -1.78 121.20 124.06 3bdm s ILE 45 Ca 0.09 -1.01 0.03 0.00 0.00 0.00 0.00 60.65 59.76 3bdm s ILE 45 Cb -0.13 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 3bdm s ILE 45 CO 0.03 0.58 -0.08 -0.94 0.00 0.00 0.00 174.94 174.53 3bdm s SER 46 N -0.63 1.21 0.00 3.58 1.04 -0.71 -4.82 113.70 113.37 3bdm s SER 46 Ca 0.10 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.67 3bdm s SER 46 Cb -0.10 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.07 3bdm s SER 46 CO -0.01 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.48 3bdm n GLY 47 N 0.41 0.19 3.67 7.32 0.00 -0.94 -1.39 105.19 114.45 3bdm n GLY 47 Ca -0.15 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.40 3bdm n GLY 47 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3bdm s ASP 48 N -4.00 6.52 0.19 1.61 2.15 0.89 -0.72 116.67 123.31 3bdm s ASP 48 Ca 0.00 2.57 -0.10 0.00 0.43 0.00 0.00 52.55 55.45 3bdm s ASP 48 Cb 0.00 -2.55 0.11 0.00 -0.30 0.00 0.00 42.92 40.19 3bdm s ASP 48 CO 0.00 -0.98 1.75 0.40 -0.17 0.00 0.00 175.17 176.17 3bdm h ILE 49 N 5.23 1.24 -0.84 4.11 1.08 -0.50 -1.54 117.51 126.29 3bdm h ILE 49 Ca -0.45 -0.78 0.01 0.00 -0.39 0.00 0.00 64.86 63.25 3bdm h ILE 49 Cb 1.21 0.46 -0.04 0.00 -3.07 0.00 0.00 36.82 35.39 3bdm h ILE 49 CO 0.94 0.31 0.56 0.77 -0.69 0.00 0.00 178.15 180.04 3bdm h SER 50 N 0.98 0.96 -0.04 1.72 4.64 -1.91 0.18 113.55 120.07 3bdm h SER 50 Ca 0.23 -0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.43 3bdm h SER 50 Cb 0.22 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 3bdm h SER 50 CO -0.02 0.69 -0.28 0.44 -0.87 0.00 0.00 176.83 176.79 3bdm h ASP 51 N 1.13 0.49 -0.26 4.97 3.45 -1.90 -1.75 116.42 122.55 3bdm h ASP 51 Ca 0.31 -0.17 -0.02 0.00 0.43 0.00 0.00 57.03 57.58 3bdm h ASP 51 Cb -0.11 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 38.51 3bdm h ASP 51 CO -0.07 0.76 0.10 -0.03 -1.57 0.00 0.00 179.24 178.42 3bdm h MET 52 N 0.42 0.39 -0.99 3.56 4.05 -0.13 0.16 114.93 122.38 3bdm h MET 52 Ca 0.06 -0.07 0.10 0.00 -0.28 0.00 0.00 59.70 59.50 3bdm h MET 52 Cb 0.71 -0.06 -0.08 0.00 -0.80 0.00 0.00 31.60 31.37 3bdm h MET 52 CO 0.05 0.43 0.63 1.96 0.23 0.00 0.00 176.91 180.21 3bdm h GLN 53 N 0.27 1.02 -0.34 0.39 4.20 -0.40 0.13 115.11 120.38 3bdm h GLN 53 Ca 0.09 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 3bdm h GLN 53 Cb 0.19 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3bdm h GLN 53 CO -0.01 0.68 -0.03 1.25 -0.67 0.00 0.00 178.83 180.05 3bdm h HIS 54 N 1.06 0.68 0.00 2.96 2.76 -0.65 -2.34 115.15 119.61 3bdm h HIS 54 Ca 0.47 -0.13 -0.02 0.00 -2.20 0.00 0.00 60.37 58.49 3bdm h HIS 54 Cb 0.36 -0.17 -0.00 0.00 1.55 0.00 0.00 27.41 29.14 3bdm h HIS 54 CO -0.01 0.75 -0.09 0.82 -1.30 0.00 0.00 177.93 178.10 3bdm h ILE 55 N 0.42 0.83 -0.39 6.26 2.04 0.25 -2.26 117.51 124.66 3bdm h ILE 55 Ca 0.09 -0.34 -0.09 0.00 1.00 0.00 0.00 64.86 65.52 3bdm h ILE 55 Cb 0.50 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 3bdm h ILE 55 CO 0.02 0.09 -0.12 -0.08 0.00 0.00 0.00 178.15 178.06 3bdm h GLU 56 N 0.00 0.78 -0.36 2.37 4.81 -0.50 -1.59 114.58 120.09 3bdm h GLU 56 Ca -0.00 -0.31 -0.09 0.00 -0.13 0.00 0.00 59.36 58.83 3bdm h GLU 56 Cb 0.19 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 3bdm h GLU 56 CO 0.01 0.92 -0.17 -0.09 -0.73 0.00 0.00 179.01 178.96 3bdm h ARG 57 N 0.58 0.66 -0.69 1.92 2.43 -0.99 -1.39 114.38 116.91 3bdm h ARG 57 Ca 0.10 -0.23 -0.06 0.00 -0.81 0.00 0.00 59.98 58.97 3bdm h ARG 57 Cb 0.65 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.12 3bdm h ARG 57 CO 0.04 0.80 0.19 -0.07 -1.51 0.00 0.00 179.97 179.42 3bdm h LEU 58 N 0.59 1.01 -0.38 3.80 3.38 -1.19 -1.18 115.31 121.34 3bdm h LEU 58 Ca 0.10 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 3bdm h LEU 58 Cb 0.62 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3bdm h LEU 58 CO 0.04 0.95 -0.04 -0.07 0.09 0.00 0.00 178.44 179.42 3bdm h LEU 59 N 1.03 0.70 -0.86 1.67 3.38 -0.82 -0.92 115.31 119.49 3bdm h LEU 59 Ca 0.22 -0.33 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 3bdm h LEU 59 Cb 0.32 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3bdm h LEU 59 CO -0.00 0.87 -0.02 0.11 0.09 0.00 0.00 178.44 179.48 3bdm h LYS 60 N 0.51 0.82 -0.42 1.13 1.57 -1.04 -2.42 116.57 116.73 3bdm h LYS 60 Ca 0.10 -0.24 -0.10 0.00 -1.87 0.00 0.00 60.65 58.55 3bdm h LYS 60 Cb 0.53 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 3bdm h LYS 60 CO 0.03 0.84 -0.14 -0.44 -0.57 0.00 0.00 179.45 179.17 3bdm h ASP 61 N 0.76 0.78 -0.45 0.86 3.32 -1.07 -0.81 116.42 119.80 3bdm h ASP 61 Ca 0.14 -0.24 0.01 0.00 0.02 0.00 0.00 57.03 56.96 3bdm h ASP 61 Cb 0.50 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 3bdm h ASP 61 CO 0.02 0.93 0.30 0.25 -1.72 0.00 0.00 179.24 179.02 3bdm h LEU 62 N 0.70 0.50 0.00 1.55 6.46 -0.71 0.14 115.31 123.95 3bdm h LEU 62 Ca 0.11 -0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.83 3bdm h LEU 62 Cb 0.63 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.44 3bdm h LEU 62 CO 0.04 0.36 -0.13 0.58 -0.62 0.00 0.00 178.44 178.67 3bdm h VAL 63 N 0.59 1.60 -0.66 1.05 2.07 -0.96 -2.07 116.25 117.87 3bdm h VAL 63 Ca 0.17 -1.94 0.09 0.00 0.82 0.00 0.00 66.70 65.84 3bdm h VAL 63 Cb -0.04 2.87 -0.07 0.00 -1.52 0.00 0.00 31.29 32.53 3bdm h VAL 63 CO -0.04 0.52 0.30 0.74 0.02 0.00 0.00 177.57 179.11 3bdm h THR 64 N -0.66 0.83 -0.40 2.57 2.02 -0.80 -2.57 112.91 113.90 3bdm h THR 64 Ca -0.02 -0.18 -0.05 0.00 0.77 0.00 0.00 66.41 66.93 3bdm h THR 64 Cb 0.92 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 3bdm h THR 64 CO 0.03 0.10 0.07 -0.08 0.37 0.00 0.00 175.52 176.00 3bdm h GLU 65 N 0.53 0.66 -0.07 6.66 4.57 -0.78 -2.95 114.58 123.20 3bdm h GLU 65 Ca 0.32 -0.18 0.02 0.00 -1.18 0.00 0.00 59.36 58.35 3bdm h GLU 65 Cb 0.35 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.86 3bdm h GLU 65 CO -0.27 0.71 0.06 -0.97 -1.18 0.00 0.00 179.01 177.36 3bdm h ASN 66 N 0.52 0.00 -0.01 1.04 -1.24 -0.96 -1.65 115.58 113.27 3bdm h ASN 66 Ca 0.12 0.00 -0.15 0.00 0.71 0.00 0.00 56.30 56.98 3bdm h ASN 66 Cb 0.37 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.41 3bdm h ASN 66 CO 0.01 0.00 -0.49 0.00 -1.29 0.00 0.00 177.43 175.66 3bdm h ALA 67 N 1.94 0.75 -1.55 1.57 0.00 -1.34 -3.40 119.26 117.22 3bdm h ALA 67 Ca 0.03 -0.48 -0.72 0.00 0.00 0.00 0.00 54.91 53.74 3bdm h ALA 67 Cb 0.16 -0.09 0.04 0.00 0.00 0.00 0.00 17.79 17.89 3bdm h ALA 67 CO -0.00 0.67 0.62 0.66 0.00 0.00 0.00 179.25 181.21 3bdm n TYR 68 N -3.99 1.69 -2.90 0.00 4.01 -0.62 -0.89 117.16 114.46 3bdm n TYR 68 Ca -0.03 0.65 -0.16 0.00 -0.16 0.00 0.00 57.90 58.21 3bdm n TYR 68 Cb 0.57 -2.36 -0.01 0.00 -0.31 0.00 0.00 39.34 37.23 3bdm n TYR 68 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3bdm n ASP 69 N 3.70 -3.21 -3.87 7.72 10.43 -1.26 -4.91 116.55 125.15 3bdm n ASP 69 Ca 0.22 -0.04 -0.30 0.00 2.57 0.00 0.00 54.79 57.25 3bdm n ASP 69 Cb 0.15 -2.73 -0.14 0.00 1.84 0.00 0.00 41.12 40.24 3bdm n ASP 69 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 3bdm s ASN 70 N -2.35 4.19 0.33 -2.24 2.47 -0.07 -4.95 114.94 112.32 3bdm s ASN 70 Ca 0.19 -2.57 0.25 0.00 0.42 0.00 0.00 52.86 51.15 3bdm s ASN 70 Cb -0.10 -1.38 1.18 0.00 -1.45 0.00 0.00 41.25 39.50 3bdm s ASN 70 CO 0.23 -0.29 1.76 1.55 -3.72 0.00 0.00 177.10 176.63 3bdm h PRO 69 N 6.97 0.00 -0.28 0.43 0.13 -1.91 -2.44 132.00 134.90 3bdm h PRO 69 Ca -0.06 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.97 3bdm h PRO 69 Cb 0.94 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.01 3bdm h PRO 69 CO 0.57 0.00 -0.06 1.28 -0.23 0.00 0.00 178.00 179.56 3bdm n LEU 69 N -2.37 3.83 0.27 1.56 4.77 -1.26 -4.73 117.00 119.07 3bdm n LEU 69 Ca 0.00 -3.48 0.17 0.00 -0.03 0.00 0.00 56.01 52.67 3bdm n LEU 69 Cb 0.15 -0.58 0.91 0.00 -2.33 0.00 0.00 43.42 41.56 3bdm n LEU 69 CO 0.16 1.03 1.14 0.00 -1.33 0.00 0.00 177.39 178.40 3bdm h ALA 70 N 1.15 1.58 -0.45 -1.18 0.00 -1.64 0.19 119.26 118.91 3bdm h ALA 70 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3bdm h ALA 70 Cb 1.51 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3bdm h ALA 70 CO 0.29 -0.13 0.00 -0.40 0.00 0.00 0.00 179.25 179.01 3bdm n ASP 71 N -3.72 3.38 0.00 0.00 5.68 -1.26 -3.71 116.55 116.92 3bdm n ASP 71 Ca -0.01 -2.12 0.00 0.00 -0.50 0.00 0.00 54.79 52.16 3bdm n ASP 71 Cb 0.19 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 39.83 3bdm n ASP 71 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3bdm n ALA 72 N 0.72 2.25 0.00 2.12 0.00 0.52 -4.90 120.51 121.22 3bdm n ALA 72 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 3bdm n ALA 72 Cb 0.55 0.18 0.00 0.00 0.00 0.00 0.00 19.45 20.18 3bdm n ALA 72 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3bdm n GLU 71 N -2.07 0.00 -2.35 0.00 -0.58 -0.41 -4.90 120.64 110.33 3bdm n GLU 71 Ca 0.00 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.47 3bdm n GLU 71 Cb 0.18 0.00 0.03 0.00 -0.57 0.00 0.00 31.44 31.08 3bdm n GLU 71 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3bdm s ALA 71 N 0.00 3.26 0.03 0.62 0.00 -1.21 -4.37 121.76 120.10 3bdm s ALA 71 Ca 0.00 -0.63 -0.30 0.00 0.00 0.00 0.00 51.96 51.02 3bdm s ALA 71 Cb 0.00 -2.65 -0.06 0.00 0.00 0.00 0.00 23.12 20.40 3bdm s ALA 71 CO 0.00 -0.80 1.43 -0.51 0.00 0.00 0.00 175.76 175.88 3bdm s LEU 74 N -5.01 4.33 0.30 0.00 1.43 -1.26 -5.01 118.68 113.46 3bdm s LEU 74 Ca 0.54 2.21 -0.04 0.00 -1.03 0.00 0.00 54.13 55.80 3bdm s LEU 74 Cb -0.11 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.50 3bdm s LEU 74 CO 0.46 -0.73 0.57 -1.61 0.23 0.00 0.00 176.35 175.27 3bdm s GLU 75 N 2.16 3.61 0.23 1.70 0.41 -1.26 -4.93 118.70 120.62 3bdm s GLU 75 Ca 0.65 -0.02 -0.08 0.00 -0.41 0.00 0.00 54.97 55.12 3bdm s GLU 75 Cb -0.34 -2.63 0.22 0.00 -1.78 0.00 0.00 34.13 29.60 3bdm s GLU 75 CO 0.28 0.19 1.90 -1.35 -0.49 0.00 0.00 175.26 175.79 3bdm h PRO 76 N 1.51 1.15 -0.00 0.39 0.11 -1.83 -2.04 132.00 131.29 3bdm h PRO 76 Ca -0.48 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3bdm h PRO 76 Cb 1.19 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 3bdm h PRO 76 CO 0.65 0.76 0.00 0.66 -0.21 0.00 0.00 178.00 179.87 3bdm h SER 77 N 1.19 0.00 -0.02 -2.05 4.64 -1.96 0.00 113.55 115.34 3bdm h SER 77 Ca 0.33 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.62 3bdm h SER 77 Cb -0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 3bdm h SER 77 CO -0.08 0.00 -0.11 1.88 -0.87 0.00 0.00 176.83 177.65 3bdm h TYR 78 N 0.00 0.16 -0.98 4.77 0.05 -1.77 -2.37 116.97 116.83 3bdm h TYR 78 Ca 0.00 -0.07 0.08 0.00 0.05 0.00 0.00 58.73 58.79 3bdm h TYR 78 Cb 0.00 -0.02 -0.07 0.00 1.01 0.00 0.00 36.73 37.65 3bdm h TYR 78 CO 0.00 0.76 0.62 0.82 -1.05 0.00 0.00 178.16 179.31 3bdm h ILE 79 N -0.49 1.05 0.67 -2.88 2.04 -1.04 -0.97 117.51 115.89 3bdm h ILE 79 Ca -0.01 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 3bdm h ILE 79 Cb 0.77 -0.15 0.01 0.00 -0.74 0.00 0.00 36.82 36.71 3bdm h ILE 79 CO 0.02 0.20 -0.32 0.15 0.00 0.00 0.00 178.15 178.20 3bdm h PHE 80 N 1.10 -0.84 -1.22 1.37 3.04 -1.05 -2.60 116.94 116.73 3bdm h PHE 80 Ca 0.43 -0.02 0.35 0.00 3.98 0.00 0.00 57.97 62.72 3bdm h PHE 80 Cb 0.23 0.28 -0.06 0.00 2.56 0.00 0.00 35.95 38.95 3bdm h PHE 80 CO -0.01 -0.52 0.86 1.49 -2.02 0.00 0.00 178.31 178.11 3bdm h GLU 81 N -1.22 0.08 0.36 1.11 4.57 -1.19 0.48 114.58 118.78 3bdm h GLU 81 Ca -0.09 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.06 3bdm h GLU 81 Cb 0.69 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.27 3bdm h GLU 81 CO 0.15 0.05 -0.18 -0.92 -1.18 0.00 0.00 179.01 176.94 3bdm h TYR 82 N 0.08 -0.45 -0.47 0.92 3.20 -1.10 -2.19 116.97 116.96 3bdm h TYR 82 Ca 0.61 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.51 3bdm h TYR 82 Cb 2.25 0.15 -0.04 0.00 1.54 0.00 0.00 36.73 40.63 3bdm h TYR 82 CO -0.00 -0.13 0.25 -0.07 -1.64 0.00 0.00 178.16 176.57 3bdm h LEU 83 N -0.96 0.37 -0.82 2.82 3.38 -0.61 0.17 115.31 119.66 3bdm h LEU 83 Ca -0.05 0.02 0.15 0.00 0.09 0.00 0.00 57.88 58.08 3bdm h LEU 83 Cb 0.53 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.13 3bdm h LEU 83 CO 0.08 0.26 0.40 0.00 0.09 0.00 0.00 178.44 179.28 3bdm h ALA 84 N 1.24 1.23 0.71 1.53 0.00 -0.19 0.75 119.26 124.53 3bdm h ALA 84 Ca 0.20 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 3bdm h ALA 84 Cb 0.08 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.89 3bdm h ALA 84 CO -0.12 -0.12 -0.34 1.15 0.00 0.00 0.00 179.25 179.81 3bdm h THR 85 N 0.58 0.19 -0.90 0.00 2.02 -0.55 -2.14 112.91 112.10 3bdm h THR 85 Ca 0.45 -0.20 0.15 0.00 0.77 0.00 0.00 66.41 67.58 3bdm h THR 85 Cb 0.65 0.24 -0.09 0.00 -1.74 0.00 0.00 68.15 67.20 3bdm h THR 85 CO -0.37 0.02 0.50 0.58 0.37 0.00 0.00 175.52 176.61 3bdm h VAL 86 N -1.12 0.76 0.04 3.16 2.07 0.17 -1.05 116.25 120.28 3bdm h VAL 86 Ca -0.10 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 3bdm h VAL 86 Cb 0.76 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 3bdm h VAL 86 CO 0.16 0.13 -0.02 0.24 0.02 0.00 0.00 177.57 178.10 3bdm h MET 87 N 0.71 -0.05 -0.36 1.57 2.86 0.59 -2.00 114.93 118.24 3bdm h MET 87 Ca 0.49 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 58.05 3bdm h MET 87 Cb 0.67 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.32 3bdm h MET 87 CO -0.35 0.04 -0.10 -0.92 1.06 0.00 0.00 176.91 176.64 3bdm h TYR 88 N -0.14 0.67 -0.42 -0.22 5.03 -0.86 -1.96 116.97 119.06 3bdm h TYR 88 Ca -0.01 -0.11 -0.07 0.00 2.58 0.00 0.00 58.73 61.12 3bdm h TYR 88 Cb 0.12 -0.18 -0.02 0.00 1.55 0.00 0.00 36.73 38.21 3bdm h TYR 88 CO -0.05 0.70 -0.04 1.96 -1.32 0.00 0.00 178.16 179.42 3bdm h GLN 89 N 0.57 0.71 -0.12 1.82 4.20 -1.09 -0.78 115.11 120.42 3bdm h GLN 89 Ca 0.10 -0.19 -0.20 0.00 0.06 0.00 0.00 58.65 58.42 3bdm h GLN 89 Cb 0.52 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.22 3bdm h GLN 89 CO 0.03 0.75 -0.73 0.00 -0.67 0.00 0.00 178.83 178.21 3bdm h ARG 90 N 0.66 0.56 -0.15 1.46 2.47 -1.05 -2.21 114.38 116.12 3bdm h ARG 90 Ca 0.13 -0.45 -0.14 0.00 -1.26 0.00 0.00 59.98 58.26 3bdm h ARG 90 Cb 0.47 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.87 3bdm h ARG 90 CO 0.02 1.07 -0.50 0.07 0.56 0.00 0.00 179.97 181.20 3bdm h ARG 91 N 0.39 0.41 0.00 0.04 -0.00 -1.13 -1.70 114.38 112.38 3bdm h ARG 91 Ca -0.04 -0.24 0.00 0.00 -0.00 0.00 0.00 59.98 59.71 3bdm h ARG 91 Cb 1.32 0.02 0.00 0.00 -0.00 0.00 0.00 29.97 31.31 3bdm h ARG 91 CO 0.14 0.82 0.00 0.77 -0.00 0.00 0.00 179.97 181.69 3bdm h SER 92 N 0.32 0.00 -0.16 0.08 0.02 -1.04 -1.64 113.55 111.14 3bdm h SER 92 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3bdm h SER 92 Cb 1.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.54 3bdm h SER 92 CO 0.09 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 176.07 3bdm n LYS 92 N -2.32 2.36 -1.96 3.45 5.02 -0.84 -4.95 118.16 118.92 3bdm n LYS 92 Ca 0.02 -2.05 -0.12 0.00 -2.02 0.00 0.00 58.31 54.15 3bdm n LYS 92 Cb 0.26 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.78 3bdm n LYS 92 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3bdm n MET 92 N 1.39 -0.90 -3.13 1.97 2.81 -0.62 -4.93 117.12 113.71 3bdm n MET 92 Ca 0.16 0.67 -0.21 0.00 -1.81 0.00 0.00 57.70 56.50 3bdm n MET 92 Cb 0.60 -4.77 -0.05 0.00 -0.71 0.00 0.00 33.22 28.29 3bdm n MET 92 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3bdm n ASN 93 N -0.13 -0.56 -4.73 7.83 4.05 -0.68 0.83 115.26 121.88 3bdm n ASN 93 Ca -0.13 -2.75 -0.30 0.00 0.45 0.00 0.00 54.58 51.85 3bdm n ASN 93 Cb 0.54 -0.14 0.13 0.00 1.23 0.00 0.00 39.78 41.54 3bdm n ASN 93 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 3bdm s PRO 94 N -0.62 1.45 -0.50 1.20 0.04 -1.19 -4.57 135.00 130.81 3bdm s PRO 94 Ca 0.34 0.88 -0.16 0.00 0.04 0.00 0.00 61.00 62.10 3bdm s PRO 94 Cb 0.15 -1.83 0.09 0.00 0.04 0.00 0.00 34.50 32.96 3bdm s PRO 94 CO -0.14 -2.13 0.47 -0.51 0.04 0.00 0.00 177.00 174.73 3bdm s LEU 95 N -6.16 5.70 -0.29 -3.56 1.43 -1.26 -4.92 118.68 109.61 3bdm s LEU 95 Ca 0.63 -1.42 -0.29 0.00 -1.03 0.00 0.00 54.13 52.03 3bdm s LEU 95 Cb -0.18 -2.23 -0.31 0.00 0.03 0.00 0.00 46.19 43.50 3bdm s LEU 95 CO 0.57 -0.76 1.72 1.87 0.23 0.00 0.00 176.35 179.97 3bdm n TRP 96 N 5.39 0.53 -4.09 0.29 -0.00 -1.26 -4.22 117.44 114.08 3bdm n TRP 96 Ca -0.12 -0.74 -0.10 0.00 -0.00 0.00 0.00 57.50 56.53 3bdm n TRP 96 Cb 0.43 -1.18 -0.08 0.00 -0.00 0.00 0.00 31.31 30.48 3bdm n TRP 96 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 3bdm s ASN 97 N 6.76 0.07 -0.07 5.87 -0.87 -1.26 -0.08 114.94 125.36 3bdm s ASN 97 Ca 0.68 -1.15 0.02 0.00 -1.57 0.00 0.00 52.86 50.85 3bdm s ASN 97 Cb 0.12 0.45 0.01 0.00 -0.02 0.00 0.00 41.25 41.82 3bdm s ASN 97 CO 0.28 -0.94 -0.12 0.00 -2.57 0.00 0.00 177.10 173.75 3bdm s ALA 98 N -4.08 1.32 0.02 0.60 0.00 -0.49 -0.24 121.76 118.90 3bdm s ALA 98 Ca 0.29 -0.46 0.05 0.00 0.00 0.00 0.00 51.96 51.84 3bdm s ALA 98 Cb 0.04 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 3bdm s ALA 98 CO 0.08 0.06 -0.16 0.42 0.00 0.00 0.00 175.76 176.16 3bdm s ILE 99 N 0.77 1.26 -0.14 0.00 1.01 0.11 -1.73 121.20 122.48 3bdm s ILE 99 Ca -0.12 -0.89 -0.00 0.00 0.00 0.00 0.00 60.65 59.63 3bdm s ILE 99 Cb -0.16 -1.10 0.03 0.00 0.01 0.00 0.00 42.46 41.25 3bdm s ILE 99 CO 0.02 0.19 -0.08 -0.63 0.00 0.00 0.00 174.94 174.45 3bdm s ILE 100 N -0.63 1.13 -0.31 2.92 1.01 -0.73 -1.35 121.20 123.24 3bdm s ILE 100 Ca 0.05 -0.45 -0.14 0.00 0.00 0.00 0.00 60.65 60.10 3bdm s ILE 100 Cb -0.07 -1.19 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 3bdm s ILE 100 CO 0.01 0.30 0.34 -0.69 0.00 0.00 0.00 174.94 174.89 3bdm s VAL 101 N 1.65 5.19 -0.01 2.92 1.01 -0.32 -1.32 120.40 129.52 3bdm s VAL 101 Ca 0.03 0.23 0.08 0.00 0.00 0.00 0.00 61.98 62.33 3bdm s VAL 101 Cb -0.13 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 3bdm s VAL 101 CO -0.08 0.04 -0.26 0.00 0.00 0.00 0.00 175.10 174.80 3bdm s ALA 102 N 2.00 2.16 0.00 5.51 0.00 0.37 -2.05 121.76 129.74 3bdm s ALA 102 Ca 0.12 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 50.94 3bdm s ALA 102 Cb -0.16 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.43 3bdm s ALA 102 CO 0.11 0.52 0.00 0.41 0.00 0.00 0.00 175.76 176.80 3bdm n GLY 103 N 2.31 -1.35 3.12 0.00 0.00 0.29 0.31 105.19 109.88 3bdm n GLY 103 Ca -0.16 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 3bdm n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bdm s VAL 104 N -2.89 1.78 0.82 1.61 1.01 -0.39 0.13 120.40 122.48 3bdm s VAL 104 Ca 0.00 -0.82 -0.11 0.00 0.00 0.00 0.00 61.98 61.05 3bdm s VAL 104 Cb 0.00 -1.59 0.09 0.00 0.00 0.00 0.00 36.38 34.88 3bdm s VAL 104 CO 0.00 0.50 1.09 -1.10 0.00 0.00 0.00 175.10 175.59 3bdm s GLN 105 N 0.79 1.84 0.43 2.72 -1.52 0.14 -4.69 119.66 119.37 3bdm s GLN 105 Ca -0.09 1.03 0.15 0.00 -1.95 0.00 0.00 55.36 54.49 3bdm s GLN 105 Cb -0.16 -1.86 1.04 0.00 -0.22 0.00 0.00 33.01 31.82 3bdm s GLN 105 CO 0.00 -1.89 1.96 0.66 -0.25 0.00 0.00 175.29 175.77 3bdm h SER 10 N -1.31 0.36 -0.18 5.90 4.64 -1.97 0.01 113.55 121.00 3bdm h SER 10 Ca -0.46 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3bdm h SER 10 Cb 1.25 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3bdm h SER 10 CO 0.53 0.21 0.00 -0.46 -0.87 0.00 0.00 176.83 176.24 3bdm n ASN 10 N -4.47 1.47 0.00 4.97 6.94 -1.26 -4.89 115.26 118.02 3bdm n ASN 10 Ca 0.11 -2.09 0.00 0.00 -0.02 0.00 0.00 54.58 52.58 3bdm n ASN 10 Cb 0.42 -0.28 0.00 0.00 -2.36 0.00 0.00 39.78 37.57 3bdm n ASN 10 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3bdm n GLY 106 N 0.59 3.00 3.28 4.83 0.00 -0.01 -5.05 105.19 111.83 3bdm n GLY 106 Ca 0.07 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 3bdm n GLY 106 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3bdm n ASP 107 N 0.67 -2.62 -4.79 1.61 10.43 -1.26 -4.41 116.55 116.19 3bdm n ASP 107 Ca 0.00 0.85 -0.38 0.00 2.57 0.00 0.00 54.79 57.83 3bdm n ASP 107 Cb 0.00 -0.88 -0.06 0.00 1.84 0.00 0.00 41.12 42.02 3bdm n ASP 107 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 3bdm s GLN 108 N -0.99 4.16 -0.13 -1.24 1.11 -1.26 0.26 119.66 121.57 3bdm s GLN 108 Ca 0.59 0.55 0.02 0.00 0.01 0.00 0.00 55.36 56.53 3bdm s GLN 108 Cb -0.67 -3.30 -0.00 0.00 -1.01 0.00 0.00 33.01 28.03 3bdm s GLN 108 CO 0.61 0.49 -0.19 0.12 0.01 0.00 0.00 175.29 176.33 3bdm s PHE 109 N -0.51 2.69 -0.22 0.91 2.19 0.36 -4.87 117.98 118.52 3bdm s PHE 109 Ca 0.27 -1.01 -0.04 0.00 0.33 0.00 0.00 56.93 56.48 3bdm s PHE 109 Cb -0.17 -1.80 0.11 0.00 -1.31 0.00 0.00 43.02 39.85 3bdm s PHE 109 CO 0.15 -0.42 0.36 -1.17 1.83 0.00 0.00 175.22 175.97 3bdm s LEU 110 N 0.54 -0.56 -0.00 6.12 2.96 -1.25 -0.55 118.68 125.93 3bdm s LEU 110 Ca -0.12 0.43 -0.13 0.00 -0.22 0.00 0.00 54.13 54.08 3bdm s LEU 110 Cb -0.16 1.08 0.02 0.00 0.50 0.00 0.00 46.19 47.62 3bdm s LEU 110 CO 0.04 -0.28 0.28 -0.60 -1.32 0.00 0.00 176.35 174.48 3bdm s ARG 111 N 2.53 0.66 0.12 1.98 3.52 -0.87 -4.48 118.95 122.41 3bdm s ARG 111 Ca 0.07 -0.28 0.08 0.00 -0.13 0.00 0.00 55.73 55.48 3bdm s ARG 111 Cb -0.14 0.29 -0.04 0.00 -1.56 0.00 0.00 34.95 33.50 3bdm s ARG 111 CO -0.14 -0.18 -0.14 -0.47 -0.81 0.00 0.00 175.30 173.55 3bdm s TYR 112 N -1.53 2.62 -0.22 5.12 5.04 -0.49 -1.18 117.35 126.71 3bdm s TYR 112 Ca -0.12 -0.22 -0.19 0.00 -2.44 0.00 0.00 57.07 54.09 3bdm s TYR 112 Cb -0.05 -1.37 0.06 0.00 0.35 0.00 0.00 41.96 40.95 3bdm s TYR 112 CO 0.03 0.41 0.58 0.54 -1.34 0.00 0.00 175.55 175.77 3bdm s VAL 113 N -1.21 -0.00 0.45 3.14 0.11 -0.45 -2.72 120.40 119.71 3bdm s VAL 113 Ca 0.20 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.28 3bdm s VAL 113 Cb -0.11 -0.81 -0.01 0.00 -1.53 0.00 0.00 36.38 33.92 3bdm s VAL 113 CO 0.12 0.00 0.09 -0.46 -3.33 0.00 0.00 175.10 171.52 3bdm n ASN 114 N 2.94 2.06 0.19 3.54 0.23 -1.05 0.07 115.26 123.24 3bdm n ASN 114 Ca -0.15 -3.22 0.07 0.00 -0.53 0.00 0.00 54.58 50.76 3bdm n ASN 114 Cb 0.56 0.79 0.38 0.00 -2.08 0.00 0.00 39.78 39.43 3bdm n ASN 114 CO 0.00 0.00 0.00 0.17 -0.93 0.00 0.00 177.26 176.50 3bdm h LEU 115 N 0.00 0.00 0.00 -4.53 -0.00 -0.78 0.61 115.31 110.61 3bdm h LEU 115 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.52 3bdm h LEU 115 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.91 3bdm h LEU 115 CO 0.58 0.00 -0.77 0.18 -0.00 0.00 0.00 178.44 178.43 3bdm n LEU 116 N -2.15 0.69 0.00 0.17 4.77 -1.26 -4.37 117.00 114.85 3bdm n LEU 116 Ca -0.01 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 3bdm n LEU 116 Cb 0.37 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3bdm n LEU 116 CO 0.06 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 3bdm n GLY 117 N 1.47 0.74 3.75 -0.72 0.00 0.21 -4.73 105.19 105.92 3bdm n GLY 117 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3bdm n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bdm s VAL 118 N -2.20 3.62 0.09 1.61 1.01 -1.26 -4.79 120.40 118.48 3bdm s VAL 118 Ca 0.00 1.51 0.03 0.00 0.00 0.00 0.00 61.98 63.52 3bdm s VAL 118 Cb 0.00 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 3bdm s VAL 118 CO 0.00 0.31 -0.09 0.42 0.00 0.00 0.00 175.10 175.74 3bdm s THR 119 N -0.72 0.83 -0.05 3.92 -4.23 -1.26 -2.53 115.64 111.60 3bdm s THR 119 Ca 0.47 -1.60 -0.31 0.00 -1.18 0.00 0.00 61.69 59.07 3bdm s THR 119 Cb -0.31 -1.29 0.12 0.00 1.34 0.00 0.00 72.50 72.35 3bdm s THR 119 CO 0.38 -0.58 1.18 -0.72 -0.54 0.00 0.00 174.62 174.34 3bdm s TYR 120 N -2.47 -0.11 0.13 3.99 -0.85 -1.10 -4.99 117.35 111.95 3bdm s TYR 120 Ca 0.04 -0.01 0.04 0.00 -0.52 0.00 0.00 57.07 56.62 3bdm s TYR 120 Cb -0.03 0.55 -0.04 0.00 0.38 0.00 0.00 41.96 42.82 3bdm s TYR 120 CO -0.01 -0.36 -0.09 -1.12 -1.52 0.00 0.00 175.55 172.45 3bdm s SER 121 N -2.67 1.63 -0.17 -0.18 0.01 -1.26 -1.40 113.70 109.65 3bdm s SER 121 Ca 0.11 -1.00 -0.31 0.00 1.31 0.00 0.00 55.95 56.07 3bdm s SER 121 Cb 0.02 0.01 0.14 0.00 0.21 0.00 0.00 66.02 66.40 3bdm s SER 121 CO -0.04 -0.36 1.10 -0.55 0.41 0.00 0.00 173.24 173.81 3bdm s SER 122 N -3.09 -0.25 0.67 2.44 0.15 -1.26 -5.01 113.70 107.35 3bdm s SER 122 Ca 0.15 0.17 0.30 0.00 0.70 0.00 0.00 55.95 57.27 3bdm s SER 122 Cb 0.03 0.22 1.64 0.00 -1.71 0.00 0.00 66.02 66.20 3bdm s SER 122 CO -0.01 -0.30 1.93 -0.65 1.20 0.00 0.00 173.24 175.41 3bdm h PRO 123 N 2.24 0.00 -4.08 5.44 0.11 -1.94 -3.40 132.00 130.36 3bdm h PRO 123 Ca -0.15 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.74 3bdm h PRO 123 Cb 1.18 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 32.05 3bdm h PRO 123 CO 0.27 0.00 -0.72 0.95 -0.21 0.00 0.00 178.00 178.29 3bdm s THR 124 N -4.10 0.21 -0.10 -1.15 -4.23 -1.26 -1.99 115.64 103.01 3bdm s THR 124 Ca -0.03 -0.61 -0.09 0.00 -1.18 0.00 0.00 61.69 59.78 3bdm s THR 124 Cb 0.09 -0.28 0.03 0.00 1.34 0.00 0.00 72.50 73.68 3bdm s THR 124 CO 0.28 -0.26 0.27 -0.76 -0.54 0.00 0.00 174.62 173.62 3bdm s LEU 125 N -0.91 0.91 0.04 4.79 1.43 -0.24 -4.99 118.68 119.71 3bdm s LEU 125 Ca -0.08 0.56 -0.10 0.00 -1.03 0.00 0.00 54.13 53.48 3bdm s LEU 125 Cb -0.06 0.93 0.00 0.00 0.03 0.00 0.00 46.19 47.10 3bdm s LEU 125 CO -0.00 -0.10 0.20 0.00 0.23 0.00 0.00 176.35 176.67 3bdm s ALA 126 N 0.23 -0.38 0.23 4.21 0.00 -1.26 -0.92 121.76 123.87 3bdm s ALA 126 Ca -0.01 -0.25 0.09 0.00 0.00 0.00 0.00 51.96 51.79 3bdm s ALA 126 Cb -0.02 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 3bdm s ALA 126 CO -0.00 -0.35 -0.05 0.95 0.00 0.00 0.00 175.76 176.30 3bdm s THR 127 N -2.48 3.32 0.00 0.00 -4.23 -0.18 -4.23 115.64 107.84 3bdm s THR 127 Ca -0.06 -1.80 0.00 0.00 -1.18 0.00 0.00 61.69 58.65 3bdm s THR 127 Cb -0.01 -2.72 0.00 0.00 1.34 0.00 0.00 72.50 71.11 3bdm s THR 127 CO -0.03 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 3bdm n GLY 128 N -0.46 3.00 0.38 3.99 0.00 -1.26 -1.99 105.19 108.84 3bdm n GLY 128 Ca -0.08 -0.13 0.14 0.00 0.00 0.00 0.00 46.02 45.94 3bdm n GLY 128 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3bdm h PHE 129 N 0.00 0.80 -0.01 1.61 3.04 -1.95 -0.64 116.94 119.79 3bdm h PHE 129 Ca 0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.98 3bdm h PHE 129 Cb 0.00 -0.25 -0.00 0.00 2.56 0.00 0.00 35.95 38.26 3bdm h PHE 129 CO 0.00 0.26 0.01 0.78 -2.02 0.00 0.00 178.31 177.34 3bdm h GLY 130 N 0.65 0.00 1.68 2.40 0.00 -1.75 -0.15 103.07 105.89 3bdm h GLY 130 Ca 0.47 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.73 3bdm h GLY 130 CO -0.22 0.00 -0.16 0.00 0.00 0.00 0.00 176.54 176.15 3bdm h ALA 131 N 1.99 1.30 0.14 3.60 0.00 -1.17 -0.24 119.26 124.88 3bdm h ALA 131 Ca 0.00 -0.27 -0.36 0.00 0.00 0.00 0.00 54.91 54.29 3bdm h ALA 131 Cb 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3bdm h ALA 131 CO -0.00 0.47 -1.89 0.45 0.00 0.00 0.00 179.25 178.28 3bdm h HIS 132 N 0.36 0.56 0.00 0.00 -0.00 -1.15 -3.38 115.15 111.53 3bdm h HIS 132 Ca 0.07 -0.41 -0.40 0.00 -0.00 0.00 0.00 60.37 59.63 3bdm h HIS 132 Cb 0.50 -0.02 -0.07 0.00 -0.00 0.00 0.00 27.41 27.82 3bdm h HIS 132 CO 0.01 1.72 -2.45 -1.33 -0.00 0.00 0.00 177.93 175.88 3bdm n MET 133 N -3.51 0.61 -0.09 2.45 2.81 -0.78 -4.49 117.12 114.12 3bdm n MET 133 Ca -0.29 0.17 -0.13 0.00 -1.81 0.00 0.00 57.70 55.64 3bdm n MET 133 Cb 1.06 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 32.03 3bdm n MET 133 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3bdm h ALA 134 N -0.25 0.42 -0.31 3.04 0.00 -1.27 -3.29 119.26 117.60 3bdm h ALA 134 Ca -0.59 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 53.92 3bdm h ALA 134 Cb 1.80 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.48 3bdm h ALA 134 CO -0.17 0.46 0.14 -0.91 0.00 0.00 0.00 179.25 178.78 3bdm h ASN 135 N 0.46 0.20 -0.61 0.00 2.35 -1.46 -0.86 115.58 115.66 3bdm h ASN 135 Ca 0.04 0.02 0.13 0.00 -0.55 0.00 0.00 56.30 55.94 3bdm h ASN 135 Cb 0.90 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 39.21 3bdm h ASN 135 CO 0.08 0.16 0.42 -0.65 -1.65 0.00 0.00 177.43 175.78 3bdm h PRO 136 N 0.30 0.23 0.08 0.81 0.11 -1.79 0.20 132.00 131.94 3bdm h PRO 136 Ca 0.13 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.22 3bdm h PRO 136 Cb 0.06 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.12 3bdm h PRO 136 CO -0.10 0.15 -0.04 -0.07 -0.21 0.00 0.00 178.00 177.74 3bdm h LEU 137 N 0.23 -0.09 -1.64 2.35 3.38 -1.48 -3.30 115.31 114.77 3bdm h LEU 137 Ca 0.29 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 58.14 3bdm h LEU 137 Cb 0.82 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 3bdm h LEU 137 CO -0.06 0.48 0.31 -0.07 0.09 0.00 0.00 178.44 179.19 3bdm h LEU 138 N -1.01 0.40 -1.98 1.67 3.38 -0.96 -0.46 115.31 116.34 3bdm h LEU 138 Ca -0.01 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3bdm h LEU 138 Cb 0.25 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3bdm h LEU 138 CO 0.02 0.27 -0.04 0.03 0.09 0.00 0.00 178.44 178.80 3bdm h ARG 139 N 0.46 0.00 0.00 1.13 3.08 -0.75 -0.65 114.38 117.66 3bdm h ARG 139 Ca 0.20 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.18 3bdm h ARG 139 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 3bdm h ARG 139 CO -0.05 0.04 -0.32 0.87 -1.07 0.00 0.00 179.97 179.45 3bdm h LYS 140 N 0.00 0.00 0.08 0.04 1.57 -1.15 -2.16 116.57 114.94 3bdm h LYS 140 Ca -0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 3bdm h LYS 140 Cb 0.34 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 3bdm h LYS 140 CO 0.01 0.32 -1.02 0.28 -0.57 0.00 0.00 179.45 178.46 3bdm h VAL 141 N 0.00 1.23 -3.08 0.50 2.07 -1.20 -3.42 116.25 112.35 3bdm h VAL 141 Ca -0.00 -2.37 -0.61 0.00 0.82 0.00 0.00 66.70 64.53 3bdm h VAL 141 Cb 0.80 2.83 -0.40 0.00 -1.52 0.00 0.00 31.29 33.00 3bdm h VAL 141 CO 0.04 0.61 -0.72 0.68 0.02 0.00 0.00 177.57 178.20 3bdm s VAL 14 N -2.40 1.53 -0.04 2.57 -7.23 -0.79 -4.91 120.40 109.13 3bdm s VAL 14 Ca -0.20 -2.54 -0.15 0.00 -1.81 0.00 0.00 61.98 57.28 3bdm s VAL 14 Cb 0.03 -2.08 -0.31 0.00 0.56 0.00 0.00 36.38 34.57 3bdm s VAL 14 CO 0.73 -0.85 0.75 -0.78 -0.31 0.00 0.00 175.10 174.64 3bdm h ASP 14 N 6.85 0.61 -3.24 4.85 -0.00 -1.65 -3.41 116.42 120.44 3bdm h ASP 14 Ca -0.03 -0.92 -0.52 0.00 -0.00 0.00 0.00 57.03 55.56 3bdm h ASP 14 Cb 0.93 -0.20 -0.14 0.00 -0.00 0.00 0.00 39.33 39.93 3bdm h ASP 14 CO 0.51 1.69 -0.55 0.00 -0.00 0.00 0.00 179.24 180.88 3bdm s ARG 14 N -2.54 1.80 0.18 0.28 3.03 -1.26 -5.00 118.95 115.45 3bdm s ARG 14 Ca -0.15 -2.06 -0.13 0.00 2.03 0.00 0.00 55.73 55.42 3bdm s ARG 14 Cb 0.04 -0.68 0.16 0.00 -1.03 0.00 0.00 34.95 33.45 3bdm s ARG 14 CO 0.86 -0.37 1.77 1.49 -1.13 0.00 0.00 175.30 177.92 3bdm h GLU 14 N 1.93 0.43 0.00 3.89 4.57 -2.03 -1.96 114.58 121.41 3bdm h GLU 14 Ca -0.37 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 3bdm h GLU 14 Cb 1.26 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 3bdm h GLU 14 CO 0.61 0.29 0.06 -1.13 -1.18 0.00 0.00 179.01 177.66 3bdm n SER 14 N -4.93 0.02 0.10 1.04 3.41 -1.26 -1.41 113.62 110.58 3bdm n SER 14 Ca 0.05 0.45 0.05 0.00 -0.26 0.00 0.00 58.87 59.16 3bdm n SER 14 Cb 0.17 -0.45 -0.01 0.00 -0.26 0.00 0.00 64.21 63.66 3bdm n SER 14 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3bdm h ASP 14 N 0.00 0.00 -0.07 4.04 3.45 -1.73 -3.39 116.42 118.72 3bdm h ASP 14 Ca 0.00 0.00 0.02 0.00 0.43 0.00 0.00 57.03 57.48 3bdm h ASP 14 Cb 0.12 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 38.87 3bdm h ASP 14 CO 0.00 0.35 -0.08 0.40 -1.57 0.00 0.00 179.24 178.35 3bdm h ILE 14 N 0.00 0.78 0.00 0.35 2.04 -1.37 -2.15 117.51 117.17 3bdm h ILE 14 Ca -0.06 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 3bdm h ILE 14 Cb 1.32 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 38.19 3bdm h ILE 14 CO 0.03 0.00 -0.03 1.55 0.00 0.00 0.00 178.15 179.71 3bdm h PRO 144 N -0.10 0.00 -0.00 2.37 0.13 -1.77 -1.48 132.00 131.15 3bdm h PRO 144 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 3bdm h PRO 144 Cb 0.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.31 3bdm h PRO 144 CO -0.13 0.03 -0.18 1.63 -0.23 0.00 0.00 178.00 179.12 3bdm n LYS 145 N -3.63 0.17 -3.53 0.86 5.02 -0.83 -4.67 118.16 111.55 3bdm n LYS 145 Ca -0.03 -0.05 -0.36 0.00 -2.02 0.00 0.00 58.31 55.84 3bdm n LYS 145 Cb 0.12 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.56 3bdm n LYS 145 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3bdm s THR 146 N -2.86 5.30 0.46 -0.18 2.01 -0.63 -5.00 115.64 114.74 3bdm s THR 146 Ca 0.17 0.55 0.05 0.00 0.31 0.00 0.00 61.69 62.77 3bdm s THR 146 Cb 0.19 -3.64 0.02 0.00 0.01 0.00 0.00 72.50 69.08 3bdm s THR 146 CO 0.57 0.37 0.64 0.42 -0.69 0.00 0.00 174.62 175.93 3bdm s THR 147 N 0.56 3.07 0.39 -0.82 -4.23 -1.26 -1.03 115.64 112.32 3bdm s THR 147 Ca 0.16 -0.84 0.10 0.00 -1.18 0.00 0.00 61.69 59.94 3bdm s THR 147 Cb -0.13 -3.08 0.15 0.00 1.34 0.00 0.00 72.50 70.78 3bdm s THR 147 CO 0.04 -0.04 1.91 0.58 -0.54 0.00 0.00 174.62 176.57 3bdm h VAL 148 N 0.44 1.18 0.30 2.29 2.07 -1.98 -0.47 116.25 120.08 3bdm h VAL 148 Ca -0.42 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.27 3bdm h VAL 148 Cb 1.28 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 3bdm h VAL 148 CO 0.49 0.25 -0.14 1.56 0.02 0.00 0.00 177.57 179.75 3bdm h GLN 149 N 0.18 -0.38 -0.14 1.57 7.50 -1.98 0.32 115.11 122.19 3bdm h GLN 149 Ca 0.04 0.03 0.05 0.00 0.50 0.00 0.00 58.65 59.26 3bdm h GLN 149 Cb 0.40 0.09 -0.06 0.00 0.05 0.00 0.00 27.48 27.96 3bdm h GLN 149 CO 0.03 -0.04 -0.30 0.28 -1.50 0.00 0.00 178.83 177.29 3bdm h VAL 150 N -0.82 0.32 0.39 -0.54 2.07 -1.92 -0.11 116.25 115.63 3bdm h VAL 150 Ca -0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 3bdm h VAL 150 Cb 0.52 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3bdm h VAL 150 CO 0.07 0.00 -0.29 0.00 0.02 0.00 0.00 177.57 177.37 3bdm h ALA 151 N 0.49 -0.68 -0.28 1.67 0.00 -1.09 -1.38 119.26 117.99 3bdm h ALA 151 Ca 0.10 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.94 3bdm h ALA 151 Cb 0.52 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3bdm h ALA 151 CO -0.35 -0.90 0.19 1.49 0.00 0.00 0.00 179.25 179.69 3bdm h GLU 152 N -0.67 0.16 0.79 0.00 4.81 -0.20 -1.50 114.58 117.96 3bdm h GLU 152 Ca -0.04 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 3bdm h GLU 152 Cb 0.58 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.93 3bdm h GLU 152 CO 0.00 0.10 -0.38 1.49 -0.73 0.00 0.00 179.01 179.50 3bdm h GLU 153 N 0.16 -1.02 -0.75 1.92 4.81 -0.55 -1.33 114.58 117.82 3bdm h GLU 153 Ca 0.12 0.07 0.15 0.00 -0.13 0.00 0.00 59.36 59.58 3bdm h GLU 153 Cb 0.29 0.23 -0.10 0.00 0.63 0.00 0.00 28.75 29.80 3bdm h GLU 153 CO -0.02 -0.68 0.27 0.00 -0.73 0.00 0.00 179.01 177.85 3bdm h ALA 154 N -1.35 1.05 -0.23 2.92 0.00 -0.78 0.92 119.26 121.79 3bdm h ALA 154 Ca -0.11 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3bdm h ALA 154 Cb 0.81 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3bdm h ALA 154 CO 0.18 -0.26 -0.05 0.82 0.00 0.00 0.00 179.25 179.93 3bdm h ILE 155 N 0.38 1.17 0.02 0.00 2.04 -1.23 0.58 117.51 120.47 3bdm h ILE 155 Ca 0.42 -0.72 -0.23 0.00 1.00 0.00 0.00 64.86 65.33 3bdm h ILE 155 Cb 0.68 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 3bdm h ILE 155 CO -0.45 0.23 -0.99 0.58 0.00 0.00 0.00 178.15 177.53 3bdm h VAL 156 N 0.34 1.42 -0.55 1.67 2.07 0.29 -2.07 116.25 119.43 3bdm h VAL 156 Ca 0.07 -2.57 -0.09 0.00 0.82 0.00 0.00 66.70 64.94 3bdm h VAL 156 Cb 0.32 2.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 3bdm h VAL 156 CO 0.01 0.76 -0.01 -1.13 0.02 0.00 0.00 177.57 177.23 3bdm h ASN 157 N 0.19 0.96 -0.87 0.57 -0.73 -0.53 -2.20 115.58 112.97 3bdm h ASN 157 Ca -0.09 -0.31 -0.02 0.00 1.87 0.00 0.00 56.30 57.76 3bdm h ASN 157 Cb 1.64 -0.26 -0.04 0.00 0.27 0.00 0.00 38.32 39.93 3bdm h ASN 157 CO 0.17 1.04 0.48 0.00 -0.37 0.00 0.00 177.43 178.75 3bdm h ALA 158 N 0.96 1.12 0.00 1.57 0.00 -0.87 -0.57 119.26 121.46 3bdm h ALA 158 Ca 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3bdm h ALA 158 Cb 0.55 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3bdm h ALA 158 CO 0.03 0.62 -0.06 0.52 0.00 0.00 0.00 179.25 180.36 3bdm h MET 159 N 1.22 0.00 -0.02 0.00 2.86 -0.88 -1.10 114.93 117.01 3bdm h MET 159 Ca 0.31 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.91 3bdm h MET 159 Cb 0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.68 3bdm h MET 159 CO -0.05 0.06 -0.15 -0.09 1.06 0.00 0.00 176.91 177.75 3bdm h ARG 160 N 0.00 0.13 -0.69 1.72 2.43 -0.56 -2.89 114.38 114.53 3bdm h ARG 160 Ca -0.00 -0.12 0.07 0.00 -0.81 0.00 0.00 59.98 59.12 3bdm h ARG 160 Cb 0.12 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.64 3bdm h ARG 160 CO 0.01 0.81 0.38 0.28 -1.51 0.00 0.00 179.97 179.93 3bdm h VAL 161 N -0.51 0.94 0.00 0.20 2.07 -0.79 0.47 116.25 118.63 3bdm h VAL 161 Ca -0.01 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 3bdm h VAL 161 Cb 0.84 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3bdm h VAL 161 CO 0.03 0.13 -0.12 -0.07 0.02 0.00 0.00 177.57 177.56 3bdm h LEU 162 N 0.69 0.00 -0.58 2.57 3.38 -1.27 -0.85 115.31 119.24 3bdm h LEU 162 Ca 0.32 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.21 3bdm h LEU 162 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3bdm h LEU 162 CO -0.20 0.12 -0.37 0.22 0.09 0.00 0.00 178.44 178.30 3bdm h TYR 163 N 0.00 0.00 0.01 1.13 3.20 -0.72 0.10 116.97 120.69 3bdm h TYR 163 Ca -0.00 0.00 -0.25 0.00 3.14 0.00 0.00 58.73 61.62 3bdm h TYR 163 Cb 0.22 0.00 0.02 0.00 1.54 0.00 0.00 36.73 38.51 3bdm h TYR 163 CO 0.00 0.37 -0.97 1.88 -1.64 0.00 0.00 178.16 177.80 3bdm h TYR 164 N 0.00 0.97 0.00 -3.82 0.05 -0.16 -3.40 116.97 110.61 3bdm h TYR 164 Ca -0.00 -0.53 0.00 0.00 0.05 0.00 0.00 58.73 58.25 3bdm h TYR 164 Cb 1.05 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 38.68 3bdm h TYR 164 CO 0.00 1.37 -0.45 0.54 -1.05 0.00 0.00 178.16 178.57 3bdm n ARG 165 N -3.92 4.16 -3.23 4.88 5.12 -0.88 -4.95 116.66 117.84 3bdm n ARG 165 Ca -0.11 -0.01 -0.41 0.00 -1.93 0.00 0.00 57.85 55.39 3bdm n ARG 165 Cb 0.85 -0.87 -0.08 0.00 -1.16 0.00 0.00 32.46 31.20 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 -1.80 6.34 0.00 0.55 3.68 0.35 -4.92 116.67 120.87 3bdm s ASP 166 Ca 0.02 0.04 0.16 0.00 2.13 0.00 0.00 52.55 54.90 3bdm s ASP 166 Cb 0.05 -2.27 0.78 0.00 -1.45 0.00 0.00 42.92 40.03 3bdm s ASP 166 CO 0.29 -0.47 1.46 0.00 0.13 0.00 0.00 175.17 176.58 3bdm n ALA 167 N 5.74 1.85 -1.65 3.66 0.00 -1.26 -2.68 120.51 126.17 3bdm n ALA 167 Ca -0.04 -0.07 -0.06 0.00 0.00 0.00 0.00 53.44 53.26 3bdm n ALA 167 Cb 0.49 -1.26 0.15 0.00 0.00 0.00 0.00 19.45 18.84 3bdm n ALA 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3bdm n ARG 168 N -1.32 2.21 -4.35 0.00 5.12 -1.26 -5.05 116.66 112.02 3bdm n ARG 168 Ca 0.07 -3.49 -0.25 0.00 -1.93 0.00 0.00 57.85 52.25 3bdm n ARG 168 Cb 0.13 -1.87 -0.09 0.00 -1.16 0.00 0.00 32.46 29.48 3bdm n ARG 168 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3bdm s SER 169 N -3.07 4.16 0.25 0.55 1.04 -1.09 -4.65 113.70 110.89 3bdm s SER 169 Ca 0.44 -1.00 0.11 0.00 0.48 0.00 0.00 55.95 55.98 3bdm s SER 169 Cb 0.40 -0.52 -0.05 0.00 0.10 0.00 0.00 66.02 65.94 3bdm s SER 169 CO -0.02 -0.24 -0.19 -0.55 0.98 0.00 0.00 173.24 173.22 3bdm s SER 170 N -3.71 3.36 0.28 7.02 0.15 -1.26 -5.05 113.70 114.49 3bdm s SER 170 Ca 0.35 -1.00 0.14 0.00 0.70 0.00 0.00 55.95 56.14 3bdm s SER 170 Cb 0.00 -0.26 0.28 0.00 -1.71 0.00 0.00 66.02 64.33 3bdm s SER 170 CO 0.19 0.01 1.55 -0.09 1.20 0.00 0.00 173.24 176.10 3bdm h ARG 171 N 2.48 0.00 -6.01 5.44 2.43 -1.97 -3.45 114.38 113.30 3bdm h ARG 171 Ca -0.41 0.00 -0.61 0.00 -0.81 0.00 0.00 59.98 58.16 3bdm h ARG 171 Cb 1.24 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.74 3bdm h ARG 171 CO 0.58 0.57 -0.22 -0.80 -1.51 0.00 0.00 179.97 178.59 3bdm s ASN 172 N -6.55 6.78 0.32 -3.80 -0.87 -1.26 -1.51 114.94 108.04 3bdm s ASN 172 Ca 0.01 0.93 -0.09 0.00 -1.57 0.00 0.00 52.86 52.14 3bdm s ASN 172 Cb 0.10 -2.24 0.01 0.00 -0.02 0.00 0.00 41.25 39.11 3bdm s ASN 172 CO 0.74 0.31 0.55 0.72 -2.57 0.00 0.00 177.10 176.85 3bdm s PHE 173 N -1.12 0.58 0.05 2.20 -0.12 -0.99 -1.66 117.98 116.93 3bdm s PHE 173 Ca 0.25 -0.96 0.08 0.00 -0.05 0.00 0.00 56.93 56.24 3bdm s PHE 173 Cb -0.16 0.23 -0.03 0.00 -0.63 0.00 0.00 43.02 42.43 3bdm s PHE 173 CO 0.14 -1.18 -0.22 -1.12 -0.05 0.00 0.00 175.22 172.78 3bdm s SER 174 N -3.12 2.63 0.07 1.98 0.01 -0.46 -1.88 113.70 112.93 3bdm s SER 174 Ca 0.24 -0.55 0.04 0.00 1.31 0.00 0.00 55.95 56.99 3bdm s SER 174 Cb -0.02 -0.22 -0.03 0.00 0.21 0.00 0.00 66.02 65.97 3bdm s SER 174 CO 0.14 0.17 -0.12 -0.22 0.41 0.00 0.00 173.24 173.62 3bdm s LEU 175 N -1.27 2.29 -0.02 2.44 0.20 0.21 -2.07 118.68 120.47 3bdm s LEU 175 Ca 0.08 -0.63 -0.05 0.00 0.69 0.00 0.00 54.13 54.21 3bdm s LEU 175 Cb -0.09 -0.40 0.01 0.00 -0.43 0.00 0.00 46.19 45.28 3bdm s LEU 175 CO 0.02 -0.14 0.12 0.00 -0.29 0.00 0.00 176.35 176.07 3bdm s ALA 176 N -1.50 -0.30 -0.05 5.97 0.00 0.02 0.13 121.76 126.04 3bdm s ALA 176 Ca -0.03 0.08 0.03 0.00 0.00 0.00 0.00 51.96 52.04 3bdm s ALA 176 Cb -0.09 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.99 3bdm s ALA 176 CO 0.01 -0.14 -0.15 0.42 0.00 0.00 0.00 175.76 175.91 3bdm s ILE 177 N -0.69 1.30 -0.41 0.00 1.01 -0.08 -1.29 121.20 121.03 3bdm s ILE 177 Ca -0.08 -0.61 0.04 0.00 0.00 0.00 0.00 60.65 60.00 3bdm s ILE 177 Cb -0.05 -1.14 0.11 0.00 0.01 0.00 0.00 42.46 41.40 3bdm s ILE 177 CO 0.01 0.38 0.14 -0.63 0.00 0.00 0.00 174.94 174.84 3bdm s ILE 178 N 0.30 2.44 -0.16 2.92 -1.09 -0.30 -0.58 121.20 124.73 3bdm s ILE 178 Ca -0.09 -2.72 -0.08 0.00 -2.23 0.00 0.00 60.65 55.53 3bdm s ILE 178 Cb -0.13 -2.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.95 3bdm s ILE 178 CO 0.03 -0.68 0.11 -0.62 -1.23 0.00 0.00 174.94 172.55 3bdm s ASP 179 N 0.47 6.11 0.50 3.58 -1.08 0.43 -2.01 116.67 124.66 3bdm s ASP 179 Ca 0.13 0.29 0.33 0.00 -0.52 0.00 0.00 52.55 52.78 3bdm s ASP 179 Cb -0.22 -2.02 1.79 0.00 -1.46 0.00 0.00 42.92 41.02 3bdm s ASP 179 CO -0.05 0.28 2.01 0.07 0.52 0.00 0.00 175.17 178.00 3bdm h LYS 180 N 5.92 0.00 0.00 4.34 2.10 -1.39 0.15 116.57 127.69 3bdm h LYS 180 Ca -0.46 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.03 3bdm h LYS 180 Cb 1.19 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.49 3bdm h LYS 180 CO 0.67 0.00 -1.40 0.09 -2.00 0.00 0.00 179.45 176.81 3bdm n ASN 181 N -2.67 1.59 0.09 7.07 3.02 -1.26 -4.65 115.26 118.46 3bdm n ASN 181 Ca -0.02 0.27 0.12 0.00 -0.03 0.00 0.00 54.58 54.92 3bdm n ASN 181 Cb 0.07 -0.62 0.45 0.00 -0.61 0.00 0.00 39.78 39.07 3bdm n ASN 181 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3bdm n THR 18 N -4.07 0.63 -2.78 3.41 -2.24 -1.21 -5.02 114.28 102.99 3bdm n THR 18 Ca -0.24 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3bdm n THR 18 Cb 0.57 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 3bdm n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bdm n GLY 183 N 0.82 0.16 3.51 3.38 0.00 0.52 -4.80 105.19 108.78 3bdm n GLY 183 Ca 0.04 -1.24 -0.39 0.00 0.00 0.00 0.00 46.02 44.44 3bdm n GLY 183 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3bdm s LEU 184 N 0.00 4.23 -0.32 0.99 0.20 -1.26 -0.43 118.68 122.10 3bdm s LEU 184 Ca 0.00 -0.35 -0.05 0.00 0.69 0.00 0.00 54.13 54.42 3bdm s LEU 184 Cb 0.00 -2.08 0.04 0.00 -0.43 0.00 0.00 46.19 43.71 3bdm s LEU 184 CO 0.00 -0.17 0.06 -0.89 -0.29 0.00 0.00 176.35 175.06 3bdm s THR 185 N 1.69 3.55 -0.38 3.68 2.01 0.25 -4.98 115.64 121.47 3bdm s THR 185 Ca 0.06 -1.12 -0.08 0.00 0.31 0.00 0.00 61.69 60.86 3bdm s THR 185 Cb -0.17 -2.98 0.06 0.00 0.01 0.00 0.00 72.50 69.42 3bdm s THR 185 CO 0.09 -0.09 0.19 0.12 -0.69 0.00 0.00 174.62 174.23 3bdm s PHE 186 N 1.38 3.31 -0.24 4.92 2.19 -1.26 -0.90 117.98 127.37 3bdm s PHE 186 Ca -0.02 -1.48 -0.15 0.00 0.33 0.00 0.00 56.93 55.61 3bdm s PHE 186 Cb -0.19 -2.63 -0.04 0.00 -1.31 0.00 0.00 43.02 38.85 3bdm s PHE 186 CO 0.01 -0.79 0.36 0.15 1.83 0.00 0.00 175.22 176.79 3bdm s LYS 187 N 1.41 4.08 0.35 10.12 1.02 0.12 -4.99 119.74 131.85 3bdm s LYS 187 Ca 0.01 0.07 0.08 0.00 0.02 0.00 0.00 55.97 56.15 3bdm s LYS 187 Cb -0.21 -3.60 -0.04 0.00 -0.52 0.00 0.00 37.83 33.46 3bdm s LYS 187 CO 0.02 -0.14 0.17 0.15 -0.92 0.00 0.00 175.35 174.63 3bdm s LYS 188 N 1.65 2.40 -2.00 1.68 1.02 -1.26 -0.62 119.74 122.61 3bdm s LYS 188 Ca 0.16 -1.54 0.00 0.00 0.02 0.00 0.00 55.97 54.60 3bdm s LYS 188 Cb -0.15 -2.20 0.00 0.00 -0.52 0.00 0.00 37.83 34.96 3bdm s LYS 188 CO 0.08 0.08 0.00 0.09 -0.92 0.00 0.00 175.35 174.68 3bdm n ASN 189 N -1.20 -4.98 -4.54 2.83 4.13 -1.23 -4.98 115.26 105.31 3bdm n ASN 189 Ca -0.02 0.47 -0.29 0.00 1.68 0.00 0.00 54.58 56.41 3bdm n ASN 189 Cb 0.61 -4.44 0.23 0.00 -1.54 0.00 0.00 39.78 34.64 3bdm n ASN 189 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3bdm s LEU 190 N -4.51 1.19 0.02 3.41 1.02 -0.79 -4.80 118.68 114.23 3bdm s LEU 190 Ca 0.00 1.55 -0.05 0.00 0.02 0.00 0.00 54.13 55.65 3bdm s LEU 190 Cb 0.00 -3.56 -0.01 0.00 0.02 0.00 0.00 46.19 42.64 3bdm s LEU 190 CO 0.00 -3.92 0.09 -1.10 0.02 0.00 0.00 176.35 171.45 3bdm s GLN 191 N -4.56 0.51 -0.22 1.70 -0.21 -1.26 -2.34 119.66 113.28 3bdm s GLN 191 Ca 0.68 -0.60 -0.29 0.00 0.02 0.00 0.00 55.36 55.17 3bdm s GLN 191 Cb -0.24 0.20 0.01 0.00 1.00 0.00 0.00 33.01 33.98 3bdm s GLN 191 CO 0.63 -0.12 1.07 0.08 -2.12 0.00 0.00 175.29 174.83 3bdm s VAL 192 N -1.97 4.62 0.43 1.09 1.01 -0.57 -5.01 120.40 120.01 3bdm s VAL 192 Ca -0.10 1.96 0.05 0.00 0.00 0.00 0.00 61.98 63.89 3bdm s VAL 192 Cb -0.05 -4.27 -0.06 0.00 0.00 0.00 0.00 36.38 32.00 3bdm s VAL 192 CO -0.02 -0.18 0.01 -1.61 0.00 0.00 0.00 175.10 173.31 3bdm s GLU 193 N 3.25 2.01 -1.27 2.72 0.41 -1.26 -4.83 118.70 119.72 3bdm s GLU 193 Ca 0.45 -2.18 -0.02 0.00 -0.41 0.00 0.00 54.97 52.82 3bdm s GLU 193 Cb -0.16 -1.59 0.01 0.00 -1.78 0.00 0.00 34.13 30.61 3bdm s GLU 193 CO 0.07 -0.13 0.90 0.09 -0.49 0.00 0.00 175.26 175.70 3bdm n ASN 194 N -1.04 -2.21 -4.72 -0.19 3.02 -1.26 -4.98 115.26 103.88 3bdm n ASN 194 Ca -0.09 -0.70 -0.38 0.00 -0.03 0.00 0.00 54.58 53.38 3bdm n ASN 194 Cb 0.67 -4.63 -0.06 0.00 -0.61 0.00 0.00 39.78 35.15 3bdm n ASN 194 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3bdm s MET 195 N -5.75 4.36 -0.24 3.52 -1.94 -1.26 -5.04 119.30 112.94 3bdm s MET 195 Ca 0.09 0.56 -0.29 0.00 -1.71 0.00 0.00 55.69 54.34 3bdm s MET 195 Cb -0.04 -3.45 0.01 0.00 2.01 0.00 0.00 34.83 33.36 3bdm s MET 195 CO 0.77 0.11 1.05 0.15 -0.01 0.00 0.00 175.02 177.08 3bdm s LYS 196 N 0.75 4.23 0.00 2.03 1.02 -1.26 -4.81 119.74 121.70 3bdm s LYS 196 Ca 0.29 1.32 0.00 0.00 0.02 0.00 0.00 55.97 57.60 3bdm s LYS 196 Cb -0.16 -3.66 0.00 0.00 -0.52 0.00 0.00 37.83 33.50 3bdm s LYS 196 CO 0.12 -0.67 0.00 0.91 -0.92 0.00 0.00 175.35 174.79 3bdm n TRP 197 N 6.40 0.00 -0.30 3.18 7.02 -1.26 -4.91 117.44 127.57 3bdm n TRP 197 Ca 0.12 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.66 3bdm n TRP 197 Cb 0.46 0.00 0.16 0.00 -2.42 0.00 0.00 31.31 29.51 3bdm n TRP 197 CO 0.00 0.00 0.00 0.22 -2.02 0.00 0.00 177.69 175.89 3bdm h ASP 198 N 0.00 -0.61 0.00 -0.99 1.82 -2.05 0.19 116.42 114.77 3bdm h ASP 198 Ca 0.00 0.25 0.00 0.00 -0.39 0.00 0.00 57.03 56.89 3bdm h ASP 198 Cb 0.02 0.47 0.00 0.00 0.68 0.00 0.00 39.33 40.51 3bdm h ASP 198 CO 0.00 -0.27 0.11 2.19 -1.61 0.00 0.00 179.24 179.66 3bdm h PHE 199 N 0.03 0.00 -0.03 0.28 -0.00 -2.01 -2.13 116.94 113.08 3bdm h PHE 199 Ca 0.45 0.00 0.01 0.00 -0.00 0.00 0.00 57.97 58.43 3bdm h PHE 199 Cb 0.78 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.73 3bdm h PHE 199 CO -0.57 0.00 0.09 0.00 -0.00 0.00 0.00 178.31 177.83 3bdm h ALA 200 N 1.71 1.28 -0.02 12.09 0.00 -1.00 -1.87 119.26 131.45 3bdm h ALA 200 Ca 0.00 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 3bdm h ALA 200 Cb 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3bdm h ALA 200 CO 0.00 -0.10 -0.75 1.57 0.00 0.00 0.00 179.25 179.96 3bdm h LYS 201 N 0.00 0.13 -0.04 0.00 2.10 -1.59 -3.16 116.57 114.02 3bdm h LYS 201 Ca 0.01 -0.12 0.00 0.00 -2.00 0.00 0.00 60.65 58.54 3bdm h LYS 201 Cb 0.19 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 3bdm h LYS 201 CO -0.00 0.82 0.00 -0.25 -2.00 0.00 0.00 179.45 178.02 3bdm n ASP 202 N -3.72 0.39 -4.24 7.07 10.43 -0.70 -4.66 116.55 121.12 3bdm n ASP 202 Ca -0.02 -1.46 -0.39 0.00 2.57 0.00 0.00 54.79 55.48 3bdm n ASP 202 Cb 0.72 -0.02 -0.10 0.00 1.84 0.00 0.00 41.12 43.56 3bdm n ASP 202 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3bdm s ILE 203 N -1.95 3.99 0.07 0.53 1.01 -1.20 -5.07 121.20 118.59 3bdm s ILE 203 Ca 0.30 -1.51 0.08 0.00 0.00 0.00 0.00 60.65 59.52 3bdm s ILE 203 Cb 0.14 -3.48 -0.03 0.00 0.01 0.00 0.00 42.46 39.10 3bdm s ILE 203 CO 0.24 -0.52 -0.22 -1.59 0.00 0.00 0.00 174.94 172.85 3bdm s LYS 204 N 1.37 1.36 2.20 2.79 0.00 -1.26 -5.03 119.74 121.16 3bdm s LYS 204 Ca 0.03 -1.07 0.00 0.00 0.00 0.00 0.00 55.97 54.93 3bdm s LYS 204 Cb -0.23 -1.57 0.00 0.00 0.00 0.00 0.00 37.83 36.03 3bdm s LYS 204 CO 0.01 0.39 0.00 0.41 0.00 0.00 0.00 175.35 176.15 3bdm n GLY 205 N 1.50 -0.53 0.40 0.59 0.00 -1.26 -4.61 105.19 101.28 3bdm n GLY 205 Ca -0.18 -1.05 0.02 0.00 0.00 0.00 0.00 46.02 44.82 3bdm n GLY 205 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3bdm n TYR 206 N -0.69 0.00 0.00 1.61 0.18 -1.26 -4.99 117.16 112.00 3bdm n TYR 206 Ca 0.00 -0.24 0.00 0.00 1.88 0.00 0.00 57.90 59.54 3bdm n TYR 206 Cb 0.00 -0.07 0.00 0.00 -0.38 0.00 0.00 39.34 38.89 3bdm n TYR 206 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3bdm n GLY 207 N -0.34 -1.06 0.00 -7.48 0.00 -1.26 -5.00 105.19 90.05 3bdm n GLY 207 Ca 0.04 0.45 0.08 0.00 0.00 0.00 0.00 46.02 46.58 3bdm n GLY 207 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3bdm n THR 208 N 0.00 0.00 -2.01 2.61 -2.24 -1.26 -4.99 114.28 106.39 3bdm n THR 208 Ca 0.00 -0.24 -0.38 0.00 -2.27 0.00 0.00 64.05 61.16 3bdm n THR 208 Cb 0.00 0.61 0.02 0.00 -2.10 0.00 0.00 70.33 68.85 3bdm n THR 208 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3bdm s GLN 209 N -2.75 3.48 -0.05 -0.78 0.74 -1.26 -4.95 119.66 114.08 3bdm s GLN 209 Ca 0.01 2.03 0.05 0.00 0.05 0.00 0.00 55.36 57.49 3bdm s GLN 209 Cb 0.11 -2.36 -0.07 0.00 1.10 0.00 0.00 33.01 31.79 3bdm s GLN 209 CO 0.65 -0.85 0.02 1.63 -0.55 0.00 0.00 175.29 176.19 3bdm n LYS 210 N -0.70 3.05 0.00 1.67 5.02 -1.26 -4.67 118.16 121.28 3bdm n LYS 210 Ca 0.08 -0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.49 3bdm n LYS 210 Cb 0.46 -1.14 0.10 0.00 -0.02 0.00 0.00 35.03 34.43 3bdm n LYS 210 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32