#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3doe h LEU 3 N 0.00 -0.06 -0.46 0.99 5.85 -2.05 -1.44 115.31 118.15 3doe h LEU 3 Ca 0.00 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3doe h LEU 3 Cb 0.00 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3doe h LEU 3 CO 0.00 0.00 0.21 -0.07 -0.34 0.00 0.00 178.44 178.25 3doe h LEU 4 N 0.18 0.60 0.09 2.25 3.38 -2.06 -0.40 115.31 119.36 3doe h LEU 4 Ca 0.23 -0.13 -0.27 0.00 0.09 0.00 0.00 57.88 57.80 3doe h LEU 4 Cb 0.31 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3doe h LEU 4 CO -0.32 0.57 -1.20 0.71 0.09 0.00 0.00 178.44 178.29 3doe h THR 5 N 0.60 1.51 -0.34 0.22 1.35 -1.99 -2.83 112.91 111.42 3doe h THR 5 Ca 0.16 -3.04 -0.01 0.00 -0.55 0.00 0.00 66.41 62.97 3doe h THR 5 Cb 0.13 2.90 -0.02 0.00 -1.73 0.00 0.00 68.15 69.43 3doe h THR 5 CO -0.02 0.89 0.17 0.40 -0.25 0.00 0.00 175.52 176.71 3doe h ILE 6 N 0.08 1.15 -0.45 6.82 2.04 -1.22 -2.92 117.51 123.01 3doe h ILE 6 Ca -0.12 -0.43 0.09 0.00 1.00 0.00 0.00 64.86 65.40 3doe h ILE 6 Cb 1.92 0.81 -0.09 0.00 -0.74 0.00 0.00 36.82 38.73 3doe h ILE 6 CO 0.20 0.16 -0.13 0.25 0.00 0.00 0.00 178.15 178.63 3doe h LEU 7 N 0.42 -0.46 -0.55 1.44 7.12 -1.08 -1.70 115.31 120.51 3doe h LEU 7 Ca 0.12 0.14 0.11 0.00 0.13 0.00 0.00 57.88 58.37 3doe h LEU 7 Cb 0.10 0.30 -0.09 0.00 -0.53 0.00 0.00 40.66 40.44 3doe h LEU 7 CO -0.02 -0.16 0.03 0.50 -0.13 0.00 0.00 178.44 178.66 3doe h LYS 8 N -0.02 0.14 0.13 1.25 3.64 -1.30 -2.81 116.57 117.60 3doe h LYS 8 Ca 0.22 -0.01 -0.31 0.00 -1.27 0.00 0.00 60.65 59.28 3doe h LYS 8 Cb 0.35 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3doe h LYS 8 CO -0.47 0.09 -1.52 1.57 -2.27 0.00 0.00 179.45 176.85 3doe h LYS 9 N 0.14 0.27 -0.66 1.90 2.10 -1.49 -1.28 116.57 117.55 3doe h LYS 9 Ca 0.28 -0.46 0.00 0.00 -2.00 0.00 0.00 60.65 58.47 3doe h LYS 9 Cb 0.43 0.17 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 3doe h LYS 9 CO -0.44 1.14 0.00 0.00 -2.00 0.00 0.00 179.45 178.15 3doe n MET 10 N -3.47 0.58 0.00 0.07 0.00 -0.66 -3.06 117.12 110.59 3doe n MET 10 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.54 3doe n MET 10 Cb 1.05 -1.28 0.00 0.00 0.00 0.00 0.00 33.22 32.98 3doe n MET 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 3doe n LYS 11 N 0.26 2.93 -1.60 3.17 4.81 -1.07 -5.00 118.16 121.65 3doe n LYS 11 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 3doe n LYS 11 Cb 0.16 -0.24 0.01 0.00 0.02 0.00 0.00 35.03 34.97 3doe n LYS 11 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3doe n GLN 12 N 0.00 1.29 -3.14 1.64 10.64 -0.49 -4.95 117.38 122.38 3doe n GLN 12 Ca 0.00 0.46 -0.37 0.00 -1.83 0.00 0.00 57.00 55.26 3doe n GLN 12 Cb 0.00 -1.98 -0.06 0.00 -0.86 0.00 0.00 30.24 27.34 3doe n GLN 12 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 3doe s LYS 13 N -1.93 4.27 0.26 2.61 -2.85 -1.26 -4.96 119.74 115.87 3doe s LYS 13 Ca 0.63 0.86 0.12 0.00 -1.00 0.00 0.00 55.97 56.57 3doe s LYS 13 Cb -0.58 -3.01 0.88 0.00 -2.06 0.00 0.00 37.83 33.06 3doe s LYS 13 CO 0.57 0.48 1.14 0.39 0.10 0.00 0.00 175.35 178.03 3doe n GLU 14 N 1.05 -0.05 -0.58 1.78 1.02 -1.26 -1.05 120.64 121.55 3doe n GLU 14 Ca -0.05 1.02 0.08 0.00 -0.02 0.00 0.00 57.16 58.19 3doe n GLU 14 Cb 0.51 -1.77 0.32 0.00 -0.02 0.00 0.00 31.44 30.47 3doe n GLU 14 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3doe n ARG 15 N -4.71 3.68 -3.32 3.49 1.74 -1.26 -4.85 116.66 111.43 3doe n ARG 15 Ca 0.25 -2.85 -0.39 0.00 -0.77 0.00 0.00 57.85 54.09 3doe n ARG 15 Cb 0.84 -1.90 -0.07 0.00 -1.02 0.00 0.00 32.46 30.31 3doe n ARG 15 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3doe s GLU 16 N -2.31 4.15 0.02 5.56 2.02 -0.22 -1.63 118.70 126.30 3doe s GLU 16 Ca 0.46 0.28 0.08 0.00 0.02 0.00 0.00 54.97 55.81 3doe s GLU 16 Cb 0.33 -3.57 -0.02 0.00 0.10 0.00 0.00 34.13 30.96 3doe s GLU 16 CO 0.16 -0.15 -0.25 -0.51 0.02 0.00 0.00 175.26 174.53 3doe s LEU 17 N 1.65 2.12 -0.18 1.80 1.02 -0.45 -4.88 118.68 119.76 3doe s LEU 17 Ca 0.21 -0.53 -0.05 0.00 0.02 0.00 0.00 54.13 53.78 3doe s LEU 17 Cb -0.15 -1.24 -0.03 0.00 0.02 0.00 0.00 46.19 44.79 3doe s LEU 17 CO 0.09 0.26 -0.01 -0.60 0.02 0.00 0.00 176.35 176.11 3doe s ARG 18 N -1.00 3.64 -0.09 1.70 3.52 -1.26 -0.56 118.95 124.91 3doe s ARG 18 Ca 0.10 -0.52 0.05 0.00 -0.13 0.00 0.00 55.73 55.23 3doe s ARG 18 Cb -0.10 -3.02 -0.00 0.00 -1.56 0.00 0.00 34.95 30.27 3doe s ARG 18 CO 0.01 0.10 -0.24 -0.51 -0.81 0.00 0.00 175.30 173.85 3doe s LEU 19 N 0.76 2.12 -0.24 -0.88 1.43 -0.23 -1.31 118.68 120.32 3doe s LEU 19 Ca -0.00 -0.53 -0.07 0.00 -1.03 0.00 0.00 54.13 52.50 3doe s LEU 19 Cb -0.14 -1.41 -0.03 0.00 0.03 0.00 0.00 46.19 44.64 3doe s LEU 19 CO 0.02 0.19 0.05 -0.22 0.23 0.00 0.00 176.35 176.63 3doe s LEU 20 N 0.15 3.37 -0.32 1.79 2.96 -0.73 -0.42 118.68 125.47 3doe s LEU 20 Ca -0.13 -0.22 -0.10 0.00 -0.22 0.00 0.00 54.13 53.46 3doe s LEU 20 Cb -0.16 -1.90 0.00 0.00 0.50 0.00 0.00 46.19 44.63 3doe s LEU 20 CO 0.07 -0.02 0.16 -0.32 -1.32 0.00 0.00 176.35 174.91 3doe s MET 21 N 1.55 3.23 0.37 1.98 -2.45 0.54 -0.53 119.30 123.98 3doe s MET 21 Ca 0.06 -0.79 0.04 0.00 -1.25 0.00 0.00 55.69 53.75 3doe s MET 21 Cb -0.15 -3.58 -0.06 0.00 1.25 0.00 0.00 34.83 32.29 3doe s MET 21 CO 0.03 -0.47 0.05 -0.51 1.05 0.00 0.00 175.02 175.17 3doe s LEU 22 N 1.60 2.35 0.00 4.11 1.43 0.34 -2.82 118.68 125.69 3doe s LEU 22 Ca 0.04 -1.43 0.00 0.00 -1.03 0.00 0.00 54.13 51.71 3doe s LEU 22 Cb -0.17 -0.52 0.00 0.00 0.03 0.00 0.00 46.19 45.53 3doe s LEU 22 CO 0.06 -0.62 0.00 0.61 0.23 0.00 0.00 176.35 176.63 3doe n GLY 23 N -0.83 3.01 3.60 -3.19 0.00 -1.26 -0.97 105.19 105.55 3doe n GLY 23 Ca -0.05 -1.19 -0.36 0.00 0.00 0.00 0.00 46.02 44.42 3doe n GLY 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3doe n LEU 24 N 0.00 3.34 -4.64 0.99 4.32 -1.26 -4.11 117.00 115.64 3doe n LEU 24 Ca 0.00 0.69 -0.39 0.00 -0.02 0.00 0.00 56.01 56.29 3doe n LEU 24 Cb 0.00 -1.39 0.03 0.00 -1.62 0.00 0.00 43.42 40.45 3doe n LEU 24 CO 0.00 -2.09 0.67 -0.90 -1.22 0.00 0.00 177.39 173.84 3doe n ASP 25 N -1.34 1.44 0.00 -1.43 5.75 -1.01 -2.57 116.55 117.39 3doe n ASP 25 Ca 0.13 0.94 0.00 0.00 -0.01 0.00 0.00 54.79 55.85 3doe n ASP 25 Cb 0.49 -1.42 0.00 0.00 -1.03 0.00 0.00 41.12 39.16 3doe n ASP 25 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3doe n ASN 26 N -0.27 -3.35 0.14 -1.12 5.15 -1.26 -4.89 115.26 109.65 3doe n ASN 26 Ca 0.11 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.09 3doe n ASN 26 Cb 0.43 -1.21 0.15 0.00 -0.53 0.00 0.00 39.78 38.63 3doe n ASN 26 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3doe h ALA 27 N 0.00 0.84 0.00 5.20 0.00 -1.83 -3.45 119.26 120.02 3doe h ALA 27 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3doe h ALA 27 Cb 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3doe h ALA 27 CO 0.00 0.75 0.00 0.41 0.00 0.00 0.00 179.25 180.41 3doe n GLY 28 N 0.54 1.79 0.22 0.00 0.00 -1.26 -4.11 105.19 102.36 3doe n GLY 28 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 3doe n GLY 28 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3doe h LYS 29 N 0.00 -0.48 -0.21 1.61 1.57 -1.91 -1.62 116.57 115.52 3doe h LYS 29 Ca 0.00 0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.71 3doe h LYS 29 Cb 0.00 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3doe h LYS 29 CO 0.00 -0.29 -0.32 1.15 -0.57 0.00 0.00 179.45 179.42 3doe h THR 30 N -0.54 1.28 -0.57 -0.16 2.02 -1.96 -2.49 112.91 110.49 3doe h THR 30 Ca -0.05 -1.38 -0.01 0.00 0.77 0.00 0.00 66.41 65.73 3doe h THR 30 Cb 0.41 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 68.26 3doe h THR 30 CO 0.08 0.43 0.30 0.74 0.37 0.00 0.00 175.52 177.44 3doe h THR 31 N 0.38 1.19 0.32 3.16 2.02 -1.97 -2.21 112.91 115.80 3doe h THR 31 Ca 0.05 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 3doe h THR 31 Cb 0.75 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 3doe h THR 31 CO 0.06 0.21 -0.17 0.40 0.37 0.00 0.00 175.52 176.39 3doe h ILE 32 N 0.77 0.65 0.00 3.11 2.04 -0.86 -0.83 117.51 122.39 3doe h ILE 32 Ca 0.20 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.00 3doe h ILE 32 Cb 0.07 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 3doe h ILE 32 CO -0.03 0.00 -0.26 0.17 0.00 0.00 0.00 178.15 178.03 3doe h LEU 33 N -0.45 0.00 -0.58 1.44 8.10 -1.52 -1.96 115.31 120.34 3doe h LEU 33 Ca -0.04 0.00 -0.12 0.00 0.11 0.00 0.00 57.88 57.83 3doe h LEU 33 Cb 0.36 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.56 3doe h LEU 33 CO 0.06 0.26 -0.13 0.50 -4.11 0.00 0.00 178.44 175.02 3doe h LYS 34 N 0.00 0.99 -0.01 0.17 1.63 -1.21 -2.86 116.57 115.27 3doe h LYS 34 Ca -0.00 -0.37 -0.09 0.00 -0.85 0.00 0.00 60.65 59.33 3doe h LYS 34 Cb 0.81 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.37 3doe h LYS 34 CO 0.03 1.05 -0.43 0.87 -3.45 0.00 0.00 179.45 177.53 3doe h LYS 35 N 0.87 0.02 -0.22 1.90 1.79 -0.67 0.29 116.57 120.56 3doe h LYS 35 Ca 0.13 -0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.62 3doe h LYS 35 Cb 0.70 -0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.32 3doe h LYS 35 CO 0.05 0.45 0.05 0.74 -1.08 0.00 0.00 179.45 179.66 3doe h PHE 36 N 0.02 0.09 0.00 -1.35 0.05 -1.13 0.13 116.94 114.75 3doe h PHE 36 Ca -0.00 0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.80 3doe h PHE 36 Cb 0.76 -0.01 0.00 0.00 2.00 0.00 0.00 35.95 38.71 3doe h PHE 36 CO 0.00 0.03 0.00 -0.91 -0.18 0.00 0.00 178.31 177.25 3doe h ASN 37 N 0.14 0.00 -2.96 2.17 2.35 -1.57 -3.46 115.58 112.24 3doe h ASN 37 Ca 0.10 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.70 3doe h ASN 37 Cb 0.09 0.00 0.06 0.00 0.05 0.00 0.00 38.32 38.51 3doe h ASN 37 CO -0.12 0.00 -0.26 0.61 -1.65 0.00 0.00 177.43 176.00 3doe n GLY 38 N 0.14 0.33 3.85 2.83 0.00 0.46 -5.04 105.19 107.77 3doe n GLY 38 Ca 0.01 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 3doe n GLY 38 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3doe s GLU 39 N -5.23 3.97 0.66 1.61 2.02 1.00 -4.99 118.70 117.73 3doe s GLU 39 Ca 0.16 0.67 -0.17 0.00 0.02 0.00 0.00 54.97 55.65 3doe s GLU 39 Cb -0.07 -2.39 -0.00 0.00 0.10 0.00 0.00 34.13 31.77 3doe s GLU 39 CO 0.27 0.08 1.25 -0.25 0.02 0.00 0.00 175.26 176.63 3doe n ASP 40 N -0.66 1.83 -2.97 -0.19 8.00 -1.26 -4.29 116.55 117.01 3doe n ASP 40 Ca 0.04 0.80 -0.20 0.00 0.71 0.00 0.00 54.79 56.13 3doe n ASP 40 Cb 0.53 -1.54 -0.02 0.00 -0.02 0.00 0.00 41.12 40.08 3doe n ASP 40 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3doe n ILE 41 N -2.06 1.24 -3.79 0.53 -5.35 -1.26 -4.90 119.36 103.77 3doe n ILE 41 Ca 0.16 -4.72 -0.13 0.00 -0.27 0.00 0.00 62.75 57.79 3doe n ILE 41 Cb 0.48 -0.58 -0.13 0.00 -1.74 0.00 0.00 39.64 37.68 3doe n ILE 41 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 3doe s ASP 42 N -2.96 -0.19 0.00 7.28 3.84 -1.26 -4.71 116.67 118.67 3doe s ASP 42 Ca 0.42 0.38 0.00 0.00 -0.00 0.00 0.00 52.55 53.35 3doe s ASP 42 Cb 0.35 0.35 0.00 0.00 -1.38 0.00 0.00 42.92 42.24 3doe s ASP 42 CO -0.09 -0.09 0.00 1.07 -0.00 0.00 0.00 175.17 176.06 3doe n THR 43 N 3.34 0.00 -2.74 2.11 5.66 -1.26 -5.08 114.28 116.31 3doe n THR 43 Ca -0.16 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.42 3doe n THR 43 Cb 0.57 -0.08 -0.04 0.00 -1.55 0.00 0.00 70.33 69.24 3doe n THR 43 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 3doe s ILE 44 N -2.00 4.77 0.17 1.09 1.01 -1.26 -5.06 121.20 119.91 3doe s ILE 44 Ca 0.00 2.01 0.09 0.00 0.00 0.00 0.00 60.65 62.75 3doe s ILE 44 Cb 0.00 -4.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 3doe s ILE 44 CO 0.00 0.22 -0.09 -0.55 0.00 0.00 0.00 174.94 174.52 3doe s SER 45 N 0.67 4.30 0.31 3.58 0.15 -1.26 -5.09 113.70 116.36 3doe s SER 45 Ca 0.49 -0.54 -0.29 0.00 0.70 0.00 0.00 55.95 56.31 3doe s SER 45 Cb -0.21 -0.75 -0.13 0.00 -1.71 0.00 0.00 66.02 63.22 3doe s SER 45 CO 0.28 0.11 1.29 -0.81 1.20 0.00 0.00 173.24 175.32 3doe n PRO 46 N 0.13 2.03 -2.86 5.44 -0.04 -1.26 -4.92 135.00 133.53 3doe n PRO 46 Ca -0.11 0.72 -0.41 0.00 -0.04 0.00 0.00 63.50 63.65 3doe n PRO 46 Cb 0.55 -2.30 -0.04 0.00 -0.04 0.00 0.00 33.50 31.67 3doe n PRO 46 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3doe s THR 47 N -0.82 4.90 -0.15 0.52 2.01 -1.26 -4.92 115.64 115.92 3doe s THR 47 Ca 0.59 1.73 0.19 0.00 0.31 0.00 0.00 61.69 64.52 3doe s THR 47 Cb -0.60 -4.18 -0.14 0.00 0.01 0.00 0.00 72.50 67.60 3doe s THR 47 CO 0.59 0.10 0.78 0.18 -0.69 0.00 0.00 174.62 175.57 3doe n LEU 48 N 4.63 0.66 0.00 4.42 4.77 -1.26 -4.29 117.00 125.93 3doe n LEU 48 Ca 0.04 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 3doe n LEU 48 Cb 0.50 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 3doe n LEU 48 CO 0.49 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 3doe n GLY 49 N 1.34 1.68 3.39 -0.72 0.00 -1.26 -4.85 105.19 104.76 3doe n GLY 49 Ca -0.08 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 3doe n GLY 49 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3doe s PHE 50 N 2.47 -0.45 -0.09 1.61 -0.12 -1.26 -1.67 117.98 118.47 3doe s PHE 50 Ca 0.00 0.84 -0.01 0.00 -0.05 0.00 0.00 56.93 57.71 3doe s PHE 50 Cb 0.00 0.24 -0.03 0.00 -0.63 0.00 0.00 43.02 42.60 3doe s PHE 50 CO 0.00 -0.46 -0.03 -0.80 -0.05 0.00 0.00 175.22 173.88 3doe s ASN 51 N -0.97 4.93 -0.17 1.98 0.01 0.13 -4.94 114.94 115.92 3doe s ASN 51 Ca -0.10 0.04 0.01 0.00 -0.71 0.00 0.00 52.86 52.10 3doe s ASN 51 Cb -0.03 -1.39 0.01 0.00 0.41 0.00 0.00 41.25 40.25 3doe s ASN 51 CO 0.06 0.34 -0.20 -0.63 -1.51 0.00 0.00 177.10 175.16 3doe s ILE 52 N -0.67 2.13 -0.18 0.60 1.01 -1.26 0.20 121.20 123.03 3doe s ILE 52 Ca 0.10 -0.93 -0.01 0.00 0.00 0.00 0.00 60.65 59.81 3doe s ILE 52 Cb -0.12 -1.88 0.05 0.00 0.01 0.00 0.00 42.46 40.52 3doe s ILE 52 CO 0.02 0.54 -0.02 -0.54 0.00 0.00 0.00 174.94 174.93 3doe s LYS 53 N 1.12 1.18 -0.28 2.79 -0.14 -0.19 -4.98 119.74 119.23 3doe s LYS 53 Ca 0.01 -0.51 -0.22 0.00 -1.36 0.00 0.00 55.97 53.89 3doe s LYS 53 Cb -0.14 -2.03 -0.01 0.00 -1.68 0.00 0.00 37.83 33.97 3doe s LYS 53 CO -0.08 -0.50 0.71 -0.08 -0.76 0.00 0.00 175.35 174.64 3doe s THR 54 N 1.69 4.89 0.00 2.17 -1.32 -1.26 -1.30 115.64 120.50 3doe s THR 54 Ca -0.00 1.16 0.00 0.00 -1.21 0.00 0.00 61.69 61.63 3doe s THR 54 Cb -0.16 -4.05 0.00 0.00 -1.51 0.00 0.00 72.50 66.78 3doe s THR 54 CO -0.07 -0.12 0.00 0.18 -2.21 0.00 0.00 174.62 172.40 3doe n LEU 55 N 5.96 0.00 -3.31 9.08 7.99 0.47 -4.89 117.00 132.31 3doe n LEU 55 Ca 0.02 0.00 0.03 0.00 -0.01 0.00 0.00 56.01 56.05 3doe n LEU 55 Cb 0.48 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.76 3doe n LEU 55 CO 0.47 0.00 0.51 -1.61 -1.51 0.00 0.00 177.39 175.25 3doe s GLU 56 N 2.10 0.32 -0.30 3.23 2.02 -1.25 -3.73 118.70 121.11 3doe s GLU 56 Ca 0.00 0.71 -0.11 0.00 0.02 0.00 0.00 54.97 55.59 3doe s GLU 56 Cb 0.00 0.42 0.12 0.00 0.10 0.00 0.00 34.13 34.77 3doe s GLU 56 CO 0.00 -0.22 0.66 -1.58 0.02 0.00 0.00 175.26 174.14 3doe s HIS 57 N 2.69 -1.29 -1.47 1.61 2.46 0.04 -4.96 115.29 114.37 3doe s HIS 57 Ca 0.01 2.29 -0.08 0.00 0.47 0.00 0.00 55.06 57.75 3doe s HIS 57 Cb -0.09 0.77 0.06 0.00 -0.13 0.00 0.00 32.58 33.19 3doe s HIS 57 CO -0.16 -0.64 0.79 0.54 -2.47 0.00 0.00 174.74 172.80 3doe n ARG 58 N 5.21 -4.74 -0.70 2.88 1.74 -1.26 -0.74 116.66 119.05 3doe n ARG 58 Ca -0.14 0.55 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 3doe n ARG 58 Cb 0.51 -5.20 0.00 0.00 -1.02 0.00 0.00 32.46 26.75 3doe n ARG 58 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3doe n GLY 59 N -1.67 1.56 3.87 -0.13 0.00 -1.26 -5.02 105.19 102.54 3doe n GLY 59 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 3doe n GLY 59 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3doe s PHE 60 N -3.65 3.62 -0.41 1.61 0.40 0.08 -4.92 117.98 114.70 3doe s PHE 60 Ca 0.00 0.63 -0.16 0.00 -0.60 0.00 0.00 56.93 56.80 3doe s PHE 60 Cb 0.00 -2.02 0.02 0.00 0.51 0.00 0.00 43.02 41.53 3doe s PHE 60 CO 0.00 0.69 0.38 0.15 0.70 0.00 0.00 175.22 177.14 3doe s LYS 61 N -1.21 3.06 -0.43 0.44 1.02 -0.64 -0.78 119.74 121.20 3doe s LYS 61 Ca 0.20 -0.86 -0.14 0.00 0.02 0.00 0.00 55.97 55.19 3doe s LYS 61 Cb -0.13 -3.97 0.05 0.00 -0.52 0.00 0.00 37.83 33.26 3doe s LYS 61 CO 0.09 -0.80 0.31 -0.51 -0.92 0.00 0.00 175.35 173.52 3doe s LEU 62 N 1.95 5.22 -0.52 3.17 1.43 -1.24 -1.35 118.68 127.33 3doe s LEU 62 Ca 0.09 -1.13 -0.23 0.00 -1.03 0.00 0.00 54.13 51.83 3doe s LEU 62 Cb -0.18 -2.12 0.04 0.00 0.03 0.00 0.00 46.19 43.96 3doe s LEU 62 CO 0.12 -0.52 0.85 0.20 0.23 0.00 0.00 176.35 177.23 3doe s ASN 63 N 2.02 6.33 -0.22 2.29 0.02 0.28 0.18 114.94 125.83 3doe s ASN 63 Ca 0.04 -0.42 -0.06 0.00 -1.02 0.00 0.00 52.86 51.39 3doe s ASN 63 Cb -0.21 -2.40 -0.03 0.00 0.02 0.00 0.00 41.25 38.63 3doe s ASN 63 CO 0.07 -1.10 0.04 -0.63 0.02 0.00 0.00 177.10 175.50 3doe s ILE 64 N 3.56 4.22 -0.24 0.60 1.01 -0.42 -1.07 121.20 128.87 3doe s ILE 64 Ca 0.27 -0.21 -0.08 0.00 0.00 0.00 0.00 60.65 60.63 3doe s ILE 64 Cb -0.14 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 3doe s ILE 64 CO 0.18 0.39 0.09 0.26 0.00 0.00 0.00 174.94 175.87 3doe s TRP 65 N 1.20 3.15 -0.29 3.97 0.52 0.44 -1.02 118.94 126.91 3doe s TRP 65 Ca 0.04 -0.20 -0.04 0.00 0.02 0.00 0.00 56.10 55.92 3doe s TRP 65 Cb -0.14 -2.23 0.03 0.00 -1.15 0.00 0.00 33.47 29.98 3doe s TRP 65 CO 0.02 -0.20 0.01 0.34 0.02 0.00 0.00 176.95 177.15 3doe s ASP 66 N 1.36 4.83 -0.16 2.95 2.15 0.13 -0.34 116.67 127.58 3doe s ASP 66 Ca 0.06 -1.01 -0.05 0.00 0.43 0.00 0.00 52.55 51.98 3doe s ASP 66 Cb -0.15 -1.76 -0.03 0.00 -0.30 0.00 0.00 42.92 40.68 3doe s ASP 66 CO 0.04 -0.21 -0.01 -0.69 -0.17 0.00 0.00 175.17 174.13 3doe s VAL 67 N 1.35 4.14 0.16 1.11 1.01 -1.13 0.19 120.40 127.24 3doe s VAL 67 Ca -0.01 -0.27 -0.33 0.00 0.00 0.00 0.00 61.98 61.37 3doe s VAL 67 Cb -0.18 -2.83 -0.16 0.00 0.00 0.00 0.00 36.38 33.21 3doe s VAL 67 CO -0.01 0.49 1.06 0.61 0.00 0.00 0.00 175.10 177.26 3doe n GLY 68 N 3.47 -0.23 1.05 4.51 0.00 -0.67 -4.71 105.19 108.61 3doe n GLY 68 Ca -0.17 0.53 0.11 0.00 0.00 0.00 0.00 46.02 46.49 3doe n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3doe n GLY 69 N 1.91 1.61 3.65 -0.02 0.00 -1.26 -4.69 105.19 106.38 3doe n GLY 69 Ca 0.16 -0.68 -0.45 0.00 0.00 0.00 0.00 46.02 45.05 3doe n GLY 69 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3doe n GLN 70 N 1.35 1.80 -0.31 1.61 7.27 -1.26 -2.39 117.38 125.45 3doe n GLN 70 Ca 0.17 0.64 0.06 0.00 0.07 0.00 0.00 57.00 57.94 3doe n GLN 70 Cb 0.57 -2.23 0.21 0.00 2.41 0.00 0.00 30.24 31.19 3doe n GLN 70 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 3doe h LYS 71 N 3.65 0.73 0.00 3.69 3.64 -1.99 0.11 116.57 126.41 3doe h LYS 71 Ca -0.44 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 3doe h LYS 71 Cb 1.30 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 3doe h LYS 71 CO 0.72 0.49 0.00 -1.13 -2.27 0.00 0.00 179.45 177.25 3doe n SER 72 N -4.77 0.00 -0.00 4.20 3.41 -1.26 -2.57 113.62 112.62 3doe n SER 72 Ca 0.16 -0.22 0.07 0.00 -0.26 0.00 0.00 58.87 58.62 3doe n SER 72 Cb 0.36 -0.13 -0.10 0.00 -0.26 0.00 0.00 64.21 64.08 3doe n SER 72 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3doe n LEU 73 N -1.13 0.19 0.28 1.04 4.77 0.38 -4.71 117.00 117.83 3doe n LEU 73 Ca 0.09 -0.15 0.13 0.00 -0.03 0.00 0.00 56.01 56.05 3doe n LEU 73 Cb 0.08 0.00 0.82 0.00 -2.33 0.00 0.00 43.42 41.99 3doe n LEU 73 CO 0.09 0.05 1.11 0.03 -1.33 0.00 0.00 177.39 177.34 3doe h ARG 74 N 0.00 0.00 0.00 3.23 3.08 -1.39 -1.85 114.38 117.46 3doe h ARG 74 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3doe h ARG 74 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3doe h ARG 74 CO 0.00 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.56 3doe h SER 75 N 0.00 0.00 0.37 7.04 4.64 -1.84 -2.31 113.55 121.45 3doe h SER 75 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3doe h SER 75 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3doe h SER 75 CO -0.00 0.00 -0.44 -1.22 -0.87 0.00 0.00 176.83 174.30 3doe n TYR 76 N -3.02 0.00 -0.29 4.77 4.02 -0.69 -4.16 117.16 117.78 3doe n TYR 76 Ca -0.01 0.00 0.17 0.00 -0.01 0.00 0.00 57.90 58.05 3doe n TYR 76 Cb 0.22 -0.19 0.44 0.00 -0.02 0.00 0.00 39.34 39.79 3doe n TYR 76 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 176.86 174.36 3doe h TRP 77 N 0.47 0.75 0.00 -0.72 6.55 -1.52 -1.43 115.95 120.05 3doe h TRP 77 Ca 0.00 0.02 -0.00 0.00 0.95 0.00 0.00 58.89 59.86 3doe h TRP 77 Cb 0.51 -0.23 -0.00 0.00 -0.86 0.00 0.00 29.16 28.58 3doe h TRP 77 CO 0.00 0.18 -0.02 0.07 -1.05 0.00 0.00 178.44 177.62 3doe h ARG 78 N 0.55 0.00 0.00 0.49 0.11 -1.79 -1.96 114.38 111.78 3doe h ARG 78 Ca 0.52 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.60 3doe h ARG 78 Cb 1.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.17 3doe h ARG 78 CO -0.26 0.02 0.00 0.09 0.10 0.00 0.00 179.97 179.92 3doe n ASN 79 N -3.19 0.00 0.00 0.08 3.02 -0.54 -2.50 115.26 112.13 3doe n ASN 79 Ca -0.01 -0.86 0.00 0.00 -0.03 0.00 0.00 54.58 53.68 3doe n ASN 79 Cb 0.19 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 3doe n ASN 79 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3doe n TYR 80 N -0.81 0.00 -0.07 3.10 4.01 -0.74 -4.80 117.16 117.85 3doe n TYR 80 Ca 0.09 -0.12 -0.13 0.00 -0.16 0.00 0.00 57.90 57.57 3doe n TYR 80 Cb 0.04 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.04 3doe n TYR 80 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 3doe h PHE 81 N 0.00 1.04 -2.82 -0.72 0.04 -1.56 -3.46 116.94 109.47 3doe h PHE 81 Ca 0.00 -0.35 -0.56 0.00 2.80 0.00 0.00 57.97 59.86 3doe h PHE 81 Cb 0.43 -0.20 0.08 0.00 2.20 0.00 0.00 35.95 38.45 3doe h PHE 81 CO 0.00 1.17 0.79 -1.91 -0.60 0.00 0.00 178.31 177.76 3doe n GLU 82 N -4.01 2.39 -3.20 1.51 4.07 -1.26 -3.09 120.64 117.05 3doe n GLU 82 Ca -0.04 0.86 -0.15 0.00 -0.06 0.00 0.00 57.16 57.77 3doe n GLU 82 Cb 0.60 -2.60 0.07 0.00 -0.06 0.00 0.00 31.44 29.45 3doe n GLU 82 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 3doe n SER 83 N 2.62 -2.91 -4.47 4.31 7.64 -1.26 -5.01 113.62 114.53 3doe n SER 83 Ca 0.12 -0.48 -0.40 0.00 1.01 0.00 0.00 58.87 59.13 3doe n SER 83 Cb 0.33 -4.16 -0.11 0.00 -1.01 0.00 0.00 64.21 59.26 3doe n SER 83 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3doe s THR 84 N -3.28 4.91 -0.04 0.44 2.01 -1.18 -4.64 115.64 113.86 3doe s THR 84 Ca 0.12 -0.39 0.12 0.00 0.31 0.00 0.00 61.69 61.85 3doe s THR 84 Cb -0.05 -3.54 -0.10 0.00 0.01 0.00 0.00 72.50 68.81 3doe s THR 84 CO 0.58 -0.01 1.20 0.44 -0.69 0.00 0.00 174.62 176.13 3doe h ASP 85 N 8.43 0.00 -3.28 3.53 3.32 -1.58 -3.37 116.42 123.47 3doe h ASP 85 Ca -0.31 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.62 3doe h ASP 85 Cb 1.14 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.43 3doe h ASP 85 CO 0.63 0.75 -0.31 -0.83 -1.72 0.00 0.00 179.24 177.76 3doe s GLY 86 N -4.68 -0.30 -0.22 2.75 0.00 -1.16 -2.85 107.32 100.86 3doe s GLY 86 Ca 0.01 1.44 -0.09 0.00 0.00 0.00 0.00 44.72 46.08 3doe s GLY 86 CO 0.79 1.59 0.12 -2.27 0.00 0.00 0.00 173.10 173.33 3doe s LEU 87 N 1.30 3.98 -0.31 0.66 2.96 0.94 -1.78 118.68 126.43 3doe s LEU 87 Ca -0.09 0.09 -0.07 0.00 -0.22 0.00 0.00 54.13 53.84 3doe s LEU 87 Cb -0.08 -2.05 0.02 0.00 0.50 0.00 0.00 46.19 44.58 3doe s LEU 87 CO -0.11 0.10 0.09 -0.63 -1.32 0.00 0.00 176.35 174.47 3doe s ILE 88 N 0.83 3.89 -0.32 6.68 1.01 0.31 -0.92 121.20 132.68 3doe s ILE 88 Ca 0.06 -0.84 -0.12 0.00 0.00 0.00 0.00 60.65 59.76 3doe s ILE 88 Cb -0.13 -3.07 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 3doe s ILE 88 CO 0.02 -0.00 0.22 0.86 0.00 0.00 0.00 174.94 176.04 3doe s TRP 89 N 1.47 3.22 -0.14 3.97 -0.11 0.12 -0.50 118.94 126.96 3doe s TRP 89 Ca 0.01 -0.16 -0.07 0.00 1.22 0.00 0.00 56.10 57.09 3doe s TRP 89 Cb -0.18 -2.43 -0.04 0.00 -1.50 0.00 0.00 33.47 29.31 3doe s TRP 89 CO 0.02 -0.32 0.12 0.08 -4.62 0.00 0.00 176.95 172.24 3doe s VAL 90 N 1.72 5.35 -0.08 5.86 1.01 -0.15 -1.09 120.40 133.03 3doe s VAL 90 Ca 0.06 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.22 3doe s VAL 90 Cb -0.17 -3.36 0.01 0.00 0.00 0.00 0.00 36.38 32.86 3doe s VAL 90 CO 0.10 0.56 -0.13 -0.69 0.00 0.00 0.00 175.10 174.94 3doe s VAL 91 N -0.56 1.20 -0.64 2.92 1.01 0.27 -4.18 120.40 120.44 3doe s VAL 91 Ca 0.12 -0.50 -0.27 0.00 0.00 0.00 0.00 61.98 61.33 3doe s VAL 91 Cb -0.12 -1.11 0.01 0.00 0.00 0.00 0.00 36.38 35.17 3doe s VAL 91 CO 0.02 0.37 1.45 -0.62 0.00 0.00 0.00 175.10 176.33 3doe s ASP 92 N 0.77 5.96 0.58 3.32 -1.08 -1.26 0.23 116.67 125.19 3doe s ASP 92 Ca -0.12 0.02 0.27 0.00 -0.52 0.00 0.00 52.55 52.20 3doe s ASP 92 Cb -0.16 -2.55 1.71 0.00 -1.46 0.00 0.00 42.92 40.47 3doe s ASP 92 CO 0.02 -1.90 2.22 0.28 0.52 0.00 0.00 175.17 176.32 3doe h SER 93 N 11.47 0.00 0.38 -0.34 0.02 -1.54 -1.43 113.55 122.10 3doe h SER 93 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 3doe h SER 93 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 3doe h SER 93 CO 1.22 0.00 -0.19 0.00 -1.14 0.00 0.00 176.83 176.73 3doe n ALA 94 N -2.36 2.91 -2.03 3.77 0.00 -1.26 -1.46 120.51 120.07 3doe n ALA 94 Ca -0.02 -0.31 -0.41 0.00 0.00 0.00 0.00 53.44 52.70 3doe n ALA 94 Cb 0.11 -1.26 -0.00 0.00 0.00 0.00 0.00 19.45 18.30 3doe n ALA 94 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3doe n ASP 95 N -0.95 6.71 0.15 0.00 2.03 -0.54 -4.79 116.55 119.15 3doe n ASP 95 Ca 0.12 -3.05 0.05 0.00 0.52 0.00 0.00 54.79 52.43 3doe n ASP 95 Cb 0.31 -1.45 0.49 0.00 -0.72 0.00 0.00 41.12 39.75 3doe n ASP 95 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 3doe h ARG 96 N 5.17 0.21 0.00 -0.67 2.47 -1.83 -2.73 114.38 117.01 3doe h ARG 96 Ca 0.59 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 59.29 3doe h ARG 96 Cb 0.45 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.73 3doe h ARG 96 CO 1.60 0.23 0.00 0.94 0.56 0.00 0.00 179.97 183.30 3doe n GLN 97 N -4.41 0.16 -0.16 0.04 7.27 -1.26 -3.37 117.38 115.64 3doe n GLN 97 Ca -0.01 0.18 0.05 0.00 0.07 0.00 0.00 57.00 57.29 3doe n GLN 97 Cb 0.16 -1.70 0.13 0.00 2.41 0.00 0.00 30.24 31.24 3doe n GLN 97 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3doe n ARG 98 N -1.97 2.88 0.18 3.69 1.74 -1.03 -4.58 116.66 117.57 3doe n ARG 98 Ca 0.05 -2.02 0.09 0.00 -0.77 0.00 0.00 57.85 55.20 3doe n ARG 98 Cb 0.36 -1.27 0.61 0.00 -1.02 0.00 0.00 32.46 31.14 3doe n ARG 98 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 3doe h MET 99 N 1.63 0.10 -0.19 5.56 4.05 -1.60 0.38 114.93 124.85 3doe h MET 99 Ca 0.00 -0.01 -0.14 0.00 -0.28 0.00 0.00 59.70 59.27 3doe h MET 99 Cb 0.75 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.52 3doe h MET 99 CO 0.02 0.06 -0.49 0.37 0.23 0.00 0.00 176.91 177.11 3doe h GLN 100 N 0.10 0.52 0.13 0.39 5.75 -1.85 -1.78 115.11 118.36 3doe h GLN 100 Ca 0.06 -0.30 -0.28 0.00 -0.15 0.00 0.00 58.65 57.98 3doe h GLN 100 Cb 0.10 0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.67 3doe h GLN 100 CO -0.01 0.89 -1.31 0.22 -2.65 0.00 0.00 178.83 175.97 3doe h ASP 101 N 0.41 0.42 -0.88 -0.69 3.58 -1.57 -0.29 116.42 117.40 3doe h ASP 101 Ca 0.02 -0.48 0.04 0.00 0.42 0.00 0.00 57.03 57.03 3doe h ASP 101 Cb 1.00 -0.14 -0.05 0.00 1.72 0.00 0.00 39.33 41.86 3doe h ASP 101 CO 0.09 1.38 0.58 0.00 -2.88 0.00 0.00 179.24 178.41 3doe h GLN 103 N 1.09 -0.14 -0.74 0.00 -0.00 -1.11 -1.78 115.11 112.43 3doe h GLN 103 Ca 0.35 0.01 0.08 0.00 -0.00 0.00 0.00 58.65 59.09 3doe h GLN 103 Cb 0.04 0.03 -0.06 0.00 0.00 0.00 0.00 27.48 27.49 3doe h GLN 103 CO -0.11 0.20 0.41 -0.09 0.00 0.00 0.00 178.83 179.25 3doe h ARG 104 N -0.51 0.70 -0.33 1.69 1.12 -0.71 -1.29 114.38 115.05 3doe h ARG 104 Ca -0.02 -0.04 -0.05 0.00 -1.11 0.00 0.00 59.98 58.76 3doe h ARG 104 Cb 0.42 -0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 30.21 3doe h ARG 104 CO 0.03 0.47 0.01 1.49 -3.11 0.00 0.00 179.97 178.85 3doe h GLU 105 N 0.73 0.58 -0.65 0.20 4.57 -0.69 -2.71 114.58 116.59 3doe h GLU 105 Ca 0.34 -0.18 -0.05 0.00 -1.18 0.00 0.00 59.36 58.30 3doe h GLU 105 Cb 0.27 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.78 3doe h GLU 105 CO -0.22 0.70 0.22 1.25 -1.18 0.00 0.00 179.01 179.78 3doe h LEU 106 N 0.38 0.93 -0.52 1.64 5.85 -1.05 -3.04 115.31 119.50 3doe h LEU 106 Ca 0.09 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 3doe h LEU 106 Cb 0.44 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3doe h LEU 106 CO 0.02 0.88 0.28 -0.61 -0.34 0.00 0.00 178.44 178.66 3doe h GLN 107 N 0.93 0.74 0.00 1.25 5.75 -1.13 -2.61 115.11 120.05 3doe h GLN 107 Ca 0.21 -0.09 -0.06 0.00 -0.15 0.00 0.00 58.65 58.56 3doe h GLN 107 Cb 0.27 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.67 3doe h GLN 107 CO -0.01 0.59 -0.27 0.66 -2.65 0.00 0.00 178.83 177.14 3doe h SER 108 N 0.70 0.00 -0.05 -0.69 4.64 -1.48 -2.24 113.55 114.43 3doe h SER 108 Ca 0.18 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.40 3doe h SER 108 Cb 0.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 3doe h SER 108 CO -0.03 0.27 -0.27 -0.07 -0.87 0.00 0.00 176.83 175.87 3doe h LEU 109 N 0.00 0.49 -0.21 5.97 3.38 -1.35 -3.25 115.31 120.35 3doe h LEU 109 Ca -0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3doe h LEU 109 Cb 0.51 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3doe h LEU 109 CO 0.04 0.75 0.00 -0.07 0.09 0.00 0.00 178.44 179.25 3doe h LEU 110 N 0.43 0.00 -1.61 1.67 3.38 -1.13 -2.55 115.31 115.50 3doe h LEU 110 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3doe h LEU 110 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3doe h LEU 110 CO 0.05 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.91 3doe n VAL 111 N -2.55 0.06 -2.30 1.22 0.24 -1.20 -4.91 118.33 108.89 3doe n VAL 111 Ca 0.04 -0.43 -0.42 0.00 -2.04 0.00 0.00 64.34 61.49 3doe n VAL 111 Cb 0.42 1.07 -0.03 0.00 -1.47 0.00 0.00 33.84 33.84 3doe n VAL 111 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3doe s GLU 112 N -1.94 4.35 0.14 7.34 2.56 -0.96 -4.95 118.70 125.23 3doe s GLU 112 Ca 0.32 1.89 -0.15 0.00 0.00 0.00 0.00 54.97 57.04 3doe s GLU 112 Cb 0.20 -3.42 0.00 0.00 2.00 0.00 0.00 34.13 32.92 3doe s GLU 112 CO 0.31 -0.42 1.65 1.49 -0.56 0.00 0.00 175.26 177.73 3doe h GLU 113 N 7.20 0.68 0.00 4.30 4.81 -1.91 -2.62 114.58 127.03 3doe h GLU 113 Ca -0.40 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 3doe h GLU 113 Cb 1.20 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.48 3doe h GLU 113 CO 0.86 0.67 0.00 0.54 -0.73 0.00 0.00 179.01 180.35 3doe n ARG 114 N -4.56 0.16 -0.28 1.92 1.74 -1.26 -1.46 116.66 112.92 3doe n ARG 114 Ca 0.00 0.52 0.09 0.00 -0.77 0.00 0.00 57.85 57.69 3doe n ARG 114 Cb 0.19 -1.89 0.25 0.00 -1.02 0.00 0.00 32.46 29.99 3doe n ARG 114 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3doe n LEU 115 N -2.20 3.50 -0.32 0.55 4.77 -1.00 -4.63 117.00 117.67 3doe n LEU 115 Ca 0.01 -2.00 0.22 0.00 -0.03 0.00 0.00 56.01 54.20 3doe n LEU 115 Cb 0.13 -0.37 0.49 0.00 -2.33 0.00 0.00 43.42 41.34 3doe n LEU 115 CO 0.14 0.87 1.21 0.00 -1.33 0.00 0.00 177.39 178.29 3doe h ALA 116 N 3.29 2.17 0.00 -1.18 0.00 -1.16 -2.76 119.26 119.62 3doe h ALA 116 Ca 0.00 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3doe h ALA 116 Cb 0.88 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3doe h ALA 116 CO 0.00 -0.57 -1.40 0.41 0.00 0.00 0.00 179.25 177.69 3doe n GLY 117 N -1.46 -1.27 3.67 0.00 0.00 -1.26 -4.92 105.19 99.96 3doe n GLY 117 Ca 0.25 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3doe n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3doe n ALA 118 N -2.29 0.96 -1.75 4.61 0.00 -1.05 -4.97 120.51 116.02 3doe n ALA 118 Ca -0.06 0.27 -0.40 0.00 0.00 0.00 0.00 53.44 53.26 3doe n ALA 118 Cb 0.67 -2.21 -0.06 0.00 0.00 0.00 0.00 19.45 17.86 3doe n ALA 118 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3doe s THR 119 N -1.20 4.01 -0.25 0.00 2.01 -1.13 -4.51 115.64 114.58 3doe s THR 119 Ca 0.61 1.99 -0.06 0.00 0.31 0.00 0.00 61.69 64.54 3doe s THR 119 Cb -0.54 -4.25 -0.01 0.00 0.01 0.00 0.00 72.50 67.71 3doe s THR 119 CO 0.58 0.44 0.03 -0.22 -0.69 0.00 0.00 174.62 174.76 3doe s LEU 120 N -1.31 3.29 -0.20 4.42 2.96 0.14 -0.04 118.68 127.95 3doe s LEU 120 Ca 0.42 -0.38 -0.04 0.00 -0.22 0.00 0.00 54.13 53.92 3doe s LEU 120 Cb -0.26 -1.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.58 3doe s LEU 120 CO 0.32 -0.06 -0.04 -0.22 -1.32 0.00 0.00 176.35 175.04 3doe s LEU 121 N 1.54 3.03 -0.25 -0.68 2.96 -0.10 -2.04 118.68 123.14 3doe s LEU 121 Ca 0.05 -0.29 -0.08 0.00 -0.22 0.00 0.00 54.13 53.58 3doe s LEU 121 Cb -0.15 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 3doe s LEU 121 CO 0.01 0.05 0.10 -0.63 -1.32 0.00 0.00 176.35 174.56 3doe s ILE 122 N 1.08 4.67 -0.48 6.68 1.09 0.29 -0.70 121.20 133.84 3doe s ILE 122 Ca 0.01 -0.05 -0.15 0.00 -1.10 0.00 0.00 60.65 59.37 3doe s ILE 122 Cb -0.15 -3.19 0.08 0.00 -1.06 0.00 0.00 42.46 38.15 3doe s ILE 122 CO 0.00 0.33 0.39 -0.36 -0.10 0.00 0.00 174.94 175.21 3doe s PHE 123 N 1.46 3.26 -1.20 3.97 0.08 -0.25 0.45 117.98 125.75 3doe s PHE 123 Ca 0.06 -1.07 -0.20 0.00 0.12 0.00 0.00 56.93 55.84 3doe s PHE 123 Cb -0.15 -3.24 0.06 0.00 -0.57 0.00 0.00 43.02 39.12 3doe s PHE 123 CO 0.05 -0.84 1.65 0.00 -0.10 0.00 0.00 175.22 175.98 3doe s ALA 124 N 1.60 3.08 0.83 5.36 0.00 -0.38 -0.56 121.76 131.70 3doe s ALA 124 Ca 0.04 -2.68 -0.12 0.00 0.00 0.00 0.00 51.96 49.20 3doe s ALA 124 Cb -0.25 -4.61 0.09 0.00 0.00 0.00 0.00 23.12 18.35 3doe s ALA 124 CO 0.05 -3.44 1.11 1.21 0.00 0.00 0.00 175.76 174.69 3doe s ASN 125 N 4.54 4.19 -0.97 0.00 3.04 0.13 -1.28 114.94 124.60 3doe s ASN 125 Ca 0.52 1.24 -0.02 0.00 0.04 0.00 0.00 52.86 54.63 3doe s ASN 125 Cb 0.03 -1.93 0.00 0.00 -1.54 0.00 0.00 41.25 37.80 3doe s ASN 125 CO 0.02 -2.15 0.25 0.29 -3.04 0.00 0.00 177.10 172.47 3doe n LYS 126 N -3.54 -2.35 0.00 0.43 5.02 -0.69 -1.44 118.16 115.59 3doe n LYS 126 Ca 0.07 0.56 0.05 0.00 -2.02 0.00 0.00 58.31 56.97 3doe n LYS 126 Cb 0.57 -4.70 0.21 0.00 -0.02 0.00 0.00 35.03 31.09 3doe n LYS 126 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3doe n GLN 127 N -2.55 0.00 0.11 1.97 1.13 -0.48 -1.65 117.38 115.92 3doe n GLN 127 Ca -0.09 0.34 0.12 0.00 -1.94 0.00 0.00 57.00 55.43 3doe n GLN 127 Cb 0.58 -1.51 0.46 0.00 0.11 0.00 0.00 30.24 29.88 3doe n GLN 127 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3doe n ASP 128 N -1.51 0.70 -4.73 1.08 5.75 -1.26 -4.74 116.55 111.84 3doe n ASP 128 Ca 0.02 0.62 -0.39 0.00 -0.01 0.00 0.00 54.79 55.03 3doe n ASP 128 Cb 0.11 -0.79 -0.05 0.00 -1.03 0.00 0.00 41.12 39.36 3doe n ASP 128 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3doe s LEU 129 N -4.44 4.33 0.56 -2.12 1.43 -0.66 -4.97 118.68 112.80 3doe s LEU 129 Ca 0.07 1.10 0.26 0.00 -1.03 0.00 0.00 54.13 54.53 3doe s LEU 129 Cb 0.11 -2.96 1.61 0.00 0.03 0.00 0.00 46.19 44.98 3doe s LEU 129 CO 0.48 -0.05 2.19 1.55 0.23 0.00 0.00 176.35 180.75 3doe h PRO 130 N 6.54 0.00 -0.00 1.29 0.13 -1.88 -0.83 132.00 137.24 3doe h PRO 130 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 3doe h PRO 130 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3doe h PRO 130 CO 0.74 0.03 -0.06 0.41 -0.23 0.00 0.00 178.00 178.89 3doe n GLY 131 N -1.23 -1.23 3.71 1.56 0.00 -1.26 -4.88 105.19 101.85 3doe n GLY 131 Ca -0.03 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 3doe n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3doe s ALA 132 N -2.66 3.87 0.51 4.61 0.00 -0.32 -4.56 121.76 123.20 3doe s ALA 132 Ca 0.24 1.53 -0.21 0.00 0.00 0.00 0.00 51.96 53.52 3doe s ALA 132 Cb 0.20 -3.72 -0.06 0.00 0.00 0.00 0.00 23.12 19.53 3doe s ALA 132 CO 0.50 -1.05 1.15 -0.51 0.00 0.00 0.00 175.76 175.85 3doe s LEU 133 N 1.83 3.87 0.88 0.00 1.43 -0.54 -4.90 118.68 121.25 3doe s LEU 133 Ca 0.77 2.25 -0.11 0.00 -1.03 0.00 0.00 54.13 56.02 3doe s LEU 133 Cb -0.48 -4.42 0.12 0.00 0.03 0.00 0.00 46.19 41.44 3doe s LEU 133 CO 0.34 -1.10 1.10 -0.94 0.23 0.00 0.00 176.35 175.98 3doe s SER 134 N -1.56 3.44 0.21 2.29 1.04 -1.26 -4.84 113.70 113.02 3doe s SER 134 Ca 0.69 1.85 -0.10 0.00 0.48 0.00 0.00 55.95 58.87 3doe s SER 134 Cb -0.27 -2.44 0.18 0.00 0.10 0.00 0.00 66.02 63.60 3doe s SER 134 CO 0.31 -2.72 1.87 0.28 0.98 0.00 0.00 173.24 173.96 3doe h SER 135 N -1.60 0.81 -0.42 7.02 0.02 -1.95 -1.76 113.55 115.67 3doe h SER 135 Ca -0.46 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 60.51 3doe h SER 135 Cb 1.26 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.58 3doe h SER 135 CO 0.49 0.57 0.19 0.78 -1.14 0.00 0.00 176.83 177.72 3doe h ASN 136 N 0.96 0.27 -0.69 3.07 2.35 -1.98 0.50 115.58 120.06 3doe h ASN 136 Ca 0.29 0.03 0.01 0.00 -0.55 0.00 0.00 56.30 56.08 3doe h ASN 136 Cb -0.04 -0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.27 3doe h ASN 136 CO -0.09 0.19 0.45 0.00 -1.65 0.00 0.00 177.43 176.34 3doe h ALA 137 N 1.23 0.89 -0.19 -0.83 0.00 -1.85 0.15 119.26 118.66 3doe h ALA 137 Ca 0.18 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 3doe h ALA 137 Cb 0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3doe h ALA 137 CO -0.14 0.28 -0.38 0.82 0.00 0.00 0.00 179.25 179.82 3doe h ILE 138 N 0.92 1.30 -0.63 0.00 2.04 -0.74 -1.23 117.51 119.17 3doe h ILE 138 Ca 0.26 -1.50 -0.09 0.00 1.00 0.00 0.00 64.86 64.53 3doe h ILE 138 Cb -0.08 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 3doe h ILE 138 CO -0.07 0.46 0.05 -0.09 0.00 0.00 0.00 178.15 178.50 3doe h ARG 139 N 0.35 1.07 0.58 2.37 2.43 0.54 -3.20 114.38 118.53 3doe h ARG 139 Ca 0.04 -0.32 -0.02 0.00 -0.81 0.00 0.00 59.98 58.86 3doe h ARG 139 Cb 0.83 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.27 3doe h ARG 139 CO 0.07 1.02 -0.37 1.49 -1.51 0.00 0.00 179.97 180.67 3doe h GLU 140 N 0.98 -0.86 -7.24 0.20 4.81 -0.47 -1.81 114.58 110.19 3doe h GLU 140 Ca 0.18 0.06 -0.49 0.00 -0.13 0.00 0.00 59.36 58.98 3doe h GLU 140 Cb 0.51 0.19 0.20 0.00 0.63 0.00 0.00 28.75 30.28 3doe h GLU 140 CO 0.02 -0.57 0.17 0.08 -0.73 0.00 0.00 179.01 177.98 3doe s VAL 141 N -5.15 2.15 0.00 0.32 1.01 -0.49 -1.64 120.40 116.60 3doe s VAL 141 Ca -0.14 0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.89 3doe s VAL 141 Cb 0.02 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.27 3doe s VAL 141 CO 0.44 -0.07 0.00 0.18 0.00 0.00 0.00 175.10 175.66 3doe n LEU 142 N -4.39 0.00 -4.11 3.92 4.77 -1.25 -4.19 117.00 111.74 3doe n LEU 142 Ca 0.09 0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 55.62 3doe n LEU 142 Cb 0.53 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3doe n LEU 142 CO 0.52 0.00 -0.20 -1.84 -1.33 0.00 0.00 177.39 174.54 3doe n GLU 143 N -1.70 -0.30 0.07 3.23 0.28 -0.65 -4.86 120.64 116.71 3doe n GLU 143 Ca 0.00 0.04 -0.00 0.00 -0.16 0.00 0.00 57.16 57.04 3doe n GLU 143 Cb 0.00 -2.49 0.29 0.00 1.43 0.00 0.00 31.44 30.68 3doe n GLU 143 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 3doe h LEU 144 N -2.44 0.34 -2.66 -1.84 3.38 -1.49 -2.67 115.31 107.93 3doe h LEU 144 Ca -0.69 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.19 3doe h LEU 144 Cb 1.37 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 3doe h LEU 144 CO 0.53 0.55 0.10 0.44 0.09 0.00 0.00 178.44 180.16 3doe h ASP 145 N 0.32 0.00 -0.46 -0.43 3.45 -1.89 -1.37 116.42 116.04 3doe h ASP 145 Ca 0.06 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.52 3doe h ASP 145 Cb 0.53 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.30 3doe h ASP 145 CO 0.03 0.00 0.00 -1.54 -1.57 0.00 0.00 179.24 176.16 3doe n SER 146 N -3.10 3.75 -4.51 6.45 3.41 -1.01 -4.84 113.62 113.77 3doe n SER 146 Ca -0.02 -2.39 -0.41 0.00 -0.26 0.00 0.00 58.87 55.78 3doe n SER 146 Cb 0.17 -0.52 -0.10 0.00 -0.26 0.00 0.00 64.21 63.50 3doe n SER 146 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3doe s ILE 147 N -1.86 5.25 -0.05 -1.33 1.01 -0.52 -4.87 121.20 118.83 3doe s ILE 147 Ca 0.38 -0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.75 3doe s ILE 147 Cb 0.25 -3.80 -0.00 0.00 0.01 0.00 0.00 42.46 38.92 3doe s ILE 147 CO 0.17 -0.12 0.28 0.54 0.00 0.00 0.00 174.94 175.80 3doe n ARG 148 N 5.19 2.86 0.12 2.79 1.74 -1.26 -4.63 116.66 123.47 3doe n ARG 148 Ca -0.11 -0.27 -0.01 0.00 -0.77 0.00 0.00 57.85 56.68 3doe n ARG 148 Cb 0.49 -0.77 0.07 0.00 -1.02 0.00 0.00 32.46 31.23 3doe n ARG 148 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3doe h SER 149 N 0.06 0.00 -4.66 0.55 4.64 -1.96 -3.46 113.55 108.72 3doe h SER 149 Ca 0.00 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.05 3doe h SER 149 Cb 0.02 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 61.92 3doe h SER 149 CO 0.00 0.68 -0.73 -1.00 -0.87 0.00 0.00 176.83 174.92 3doe s HIS 150 N -3.17 0.81 0.08 4.77 3.76 -1.26 -4.98 115.29 115.30 3doe s HIS 150 Ca 0.01 -0.63 -0.30 0.00 -0.15 0.00 0.00 55.06 53.98 3doe s HIS 150 Cb 0.10 -0.47 -0.05 0.00 1.11 0.00 0.00 32.58 33.27 3doe s HIS 150 CO 0.76 -0.08 1.04 -1.01 -0.85 0.00 0.00 174.74 174.60 3doe s HIS 151 N -2.14 3.65 0.08 1.40 0.09 -1.26 -4.93 115.29 112.18 3doe s HIS 151 Ca -0.01 1.64 -0.03 0.00 -0.00 0.00 0.00 55.06 56.65 3doe s HIS 151 Cb -0.05 -3.19 -0.03 0.00 -0.00 0.00 0.00 32.58 29.31 3doe s HIS 151 CO -0.01 -0.30 0.05 1.67 -0.00 0.00 0.00 174.74 176.15 3doe s TRP 152 N 0.43 0.49 -0.05 1.40 1.48 -1.25 0.28 118.94 121.72 3doe s TRP 152 Ca 0.51 -0.97 -0.19 0.00 -1.06 0.00 0.00 56.10 54.39 3doe s TRP 152 Cb -0.25 -0.31 0.04 0.00 -1.16 0.00 0.00 33.47 31.78 3doe s TRP 152 CO 0.30 -0.46 0.42 0.00 -4.06 0.00 0.00 176.95 173.16 3doe s ILE 154 N -1.05 3.53 -0.25 0.00 2.07 -1.26 -0.55 121.20 123.68 3doe s ILE 154 Ca -0.11 -0.45 0.01 0.00 -1.41 0.00 0.00 60.65 58.69 3doe s ILE 154 Cb -0.04 -2.58 0.05 0.00 0.13 0.00 0.00 42.46 40.02 3doe s ILE 154 CO 0.05 0.44 -0.10 -1.58 -1.91 0.00 0.00 174.94 171.84 3doe s GLN 155 N 1.12 2.47 0.21 3.50 2.00 0.17 -4.97 119.66 124.16 3doe s GLN 155 Ca 0.02 -1.21 -0.30 0.00 -2.00 0.00 0.00 55.36 51.87 3doe s GLN 155 Cb -0.15 -2.90 -0.08 0.00 0.80 0.00 0.00 33.01 30.68 3doe s GLN 155 CO -0.00 -0.50 1.17 0.20 -0.50 0.00 0.00 175.29 175.66 3doe s GLY 156 N 1.18 2.77 0.38 2.59 0.00 -1.26 -1.25 107.32 111.74 3doe s GLY 156 Ca -0.05 0.94 -0.10 0.00 0.00 0.00 0.00 44.72 45.51 3doe s GLY 156 CO -0.05 1.78 0.67 0.00 0.00 0.00 0.00 173.10 175.49 3doe s SER 158 N -3.16 2.40 0.29 0.00 0.15 -1.10 -1.38 113.70 110.89 3doe s SER 158 Ca 0.22 -1.38 0.02 0.00 0.70 0.00 0.00 55.95 55.52 3doe s SER 158 Cb -0.03 0.07 0.59 0.00 -1.71 0.00 0.00 66.02 64.94 3doe s SER 158 CO 0.16 -0.36 1.83 0.00 1.20 0.00 0.00 173.24 176.06 3doe h ALA 159 N 7.81 1.55 -0.91 5.45 0.00 -1.93 0.29 119.26 131.51 3doe h ALA 159 Ca -0.08 0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.03 3doe h ALA 159 Cb 1.03 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.56 3doe h ALA 159 CO 0.32 0.18 0.59 0.28 0.00 0.00 0.00 179.25 180.62 3doe h VAL 160 N 0.96 0.77 0.00 0.00 2.07 -1.95 -1.16 116.25 116.93 3doe h VAL 160 Ca 0.51 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.82 3doe h VAL 160 Cb 0.56 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 3doe h VAL 160 CO -0.29 0.11 -0.84 0.35 0.02 0.00 0.00 177.57 176.93 3doe n THR 161 N -4.58 0.00 -1.19 2.57 -2.24 -0.71 -4.98 114.28 103.14 3doe n THR 161 Ca 0.19 -0.10 -0.06 0.00 -2.27 0.00 0.00 64.05 61.80 3doe n THR 161 Cb 0.55 0.97 -0.03 0.00 -2.10 0.00 0.00 70.33 69.73 3doe n THR 161 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3doe n GLY 162 N 1.41 0.87 3.69 3.38 0.00 0.95 -4.99 105.19 110.51 3doe n GLY 162 Ca 0.03 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 3doe n GLY 162 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3doe s GLU 163 N -2.42 4.42 -0.23 1.61 2.12 -0.97 -3.87 118.70 119.37 3doe s GLU 163 Ca 0.00 1.51 0.00 0.00 0.36 0.00 0.00 54.97 56.84 3doe s GLU 163 Cb 0.00 -3.52 0.00 0.00 0.26 0.00 0.00 34.13 30.87 3doe s GLU 163 CO 0.00 -0.31 0.00 0.09 -0.54 0.00 0.00 175.26 174.50 3doe n ASN 164 N 4.80 -4.11 -0.03 -1.70 5.03 -1.26 -2.71 115.26 115.27 3doe n ASN 164 Ca 0.09 0.05 -0.16 0.00 0.87 0.00 0.00 54.58 55.43 3doe n ASN 164 Cb 0.48 -1.80 -0.08 0.00 -1.02 0.00 0.00 39.78 37.36 3doe n ASN 164 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 3doe h LEU 165 N 0.00 0.74 -0.29 3.41 3.38 -1.91 -3.19 115.31 117.45 3doe h LEU 165 Ca -0.04 -0.63 -0.02 0.00 0.09 0.00 0.00 57.88 57.28 3doe h LEU 165 Cb 0.43 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3doe h LEU 165 CO 0.06 1.25 0.12 0.25 0.09 0.00 0.00 178.44 180.21 3doe h LEU 166 N 0.28 0.39 -1.28 1.67 5.85 -1.91 -1.81 115.31 118.50 3doe h LEU 166 Ca -0.04 -0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.60 3doe h LEU 166 Cb 1.23 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.11 3doe h LEU 166 CO 0.12 0.45 0.53 -0.65 -0.34 0.00 0.00 178.44 178.55 3doe h PRO 167 N 0.31 0.82 0.18 5.25 0.11 -1.99 0.30 132.00 136.98 3doe h PRO 167 Ca 0.10 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.15 3doe h PRO 167 Cb 0.17 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 3doe h PRO 167 CO -0.01 0.54 -0.12 0.78 -0.21 0.00 0.00 178.00 178.98 3doe h GLY 168 N 0.85 -0.30 1.27 -0.55 0.00 -1.46 -2.08 103.07 100.80 3doe h GLY 168 Ca 0.36 0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.79 3doe h GLY 168 CO -0.13 -0.13 0.24 -2.22 0.00 0.00 0.00 176.54 174.31 3doe h ILE 169 N -0.30 1.22 -0.50 2.60 1.08 -0.49 -2.10 117.51 119.03 3doe h ILE 169 Ca -0.01 -0.71 -0.10 0.00 -0.39 0.00 0.00 64.86 63.65 3doe h ILE 169 Cb 0.26 0.48 -0.02 0.00 -3.07 0.00 0.00 36.82 34.47 3doe h ILE 169 CO 0.00 0.28 -0.08 0.44 -0.69 0.00 0.00 178.15 178.11 3doe h ASP 170 N 0.91 0.89 -0.66 1.72 3.32 -0.35 -0.48 116.42 121.77 3doe h ASP 170 Ca 0.21 -0.27 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 3doe h ASP 170 Cb 0.19 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 3doe h ASP 170 CO -0.02 0.99 0.28 -0.25 -1.72 0.00 0.00 179.24 178.53 3doe h TRP 171 N 0.81 0.99 -0.38 4.55 7.01 -1.10 -2.34 115.95 125.50 3doe h TRP 171 Ca 0.14 -0.07 -0.03 0.00 2.11 0.00 0.00 58.89 61.04 3doe h TRP 171 Cb 0.60 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 27.34 3doe h TRP 171 CO 0.04 0.77 0.13 1.25 -2.79 0.00 0.00 178.44 177.83 3doe h LEU 172 N 0.93 0.55 -0.48 0.65 5.85 -0.97 -1.27 115.31 120.57 3doe h LEU 172 Ca 0.22 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 3doe h LEU 172 Cb 0.18 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3doe h LEU 172 CO -0.02 0.60 0.11 -0.07 -0.34 0.00 0.00 178.44 178.72 3doe h LEU 173 N 0.47 0.74 -0.52 2.25 3.38 -1.07 -0.96 115.31 119.59 3doe h LEU 173 Ca 0.12 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3doe h LEU 173 Cb 0.24 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3doe h LEU 173 CO -0.01 0.78 0.24 0.44 0.09 0.00 0.00 178.44 179.99 3doe h ASP 174 N 0.65 0.70 -0.58 -0.43 3.45 -1.32 0.11 116.42 119.01 3doe h ASP 174 Ca 0.15 -0.14 -0.05 0.00 0.43 0.00 0.00 57.03 57.42 3doe h ASP 174 Cb 0.34 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 38.91 3doe h ASP 174 CO 0.00 0.64 0.18 -0.78 -1.57 0.00 0.00 179.24 177.72 3doe h ASP 175 N 0.70 0.84 -0.42 6.45 1.82 -1.10 -0.18 116.42 124.52 3doe h ASP 175 Ca 0.18 -0.21 -0.01 0.00 -0.39 0.00 0.00 57.03 56.61 3doe h ASP 175 Cb 0.14 -0.22 -0.02 0.00 0.68 0.00 0.00 39.33 39.91 3doe h ASP 175 CO -0.02 0.82 0.24 0.40 -1.61 0.00 0.00 179.24 179.07 3doe h ILE 176 N 0.81 1.15 -0.45 2.25 2.04 -0.89 -1.80 117.51 120.62 3doe h ILE 176 Ca 0.19 -0.37 0.02 0.00 1.00 0.00 0.00 64.86 65.70 3doe h ILE 176 Cb 0.28 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 3doe h ILE 176 CO -0.01 0.16 0.26 0.28 0.00 0.00 0.00 178.15 178.84 3doe h SER 177 N 0.55 0.41 -0.72 1.72 0.02 -0.54 -2.31 113.55 112.68 3doe h SER 177 Ca 0.15 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.13 3doe h SER 177 Cb 0.04 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.46 3doe h SER 177 CO -0.03 0.29 0.46 0.28 -1.14 0.00 0.00 176.83 176.69 3doe h SER 178 N 0.51 0.77 0.03 3.07 0.02 -0.79 0.22 113.55 117.39 3doe h SER 178 Ca 0.18 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3doe h SER 178 Cb 0.03 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.40 3doe h SER 178 CO -0.10 0.55 -0.01 -0.09 -1.14 0.00 0.00 176.83 176.04 3doe h ARG 179 N 0.92 -0.04 -0.24 3.45 2.43 -1.10 0.13 114.38 119.93 3doe h ARG 179 Ca 0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 3doe h ARG 179 Cb -0.03 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 3doe h ARG 179 CO -0.09 0.00 0.15 0.82 -1.51 0.00 0.00 179.97 179.35 3doe h ILE 180 N -0.07 1.08 -0.53 1.20 2.04 -1.18 -0.32 117.51 119.73 3doe h ILE 180 Ca -0.00 -0.18 0.10 0.00 1.00 0.00 0.00 64.86 65.78 3doe h ILE 180 Cb 0.06 0.76 -0.09 0.00 -0.74 0.00 0.00 36.82 36.81 3doe h ILE 180 CO 0.01 0.08 0.00 0.15 0.00 0.00 0.00 178.15 178.38 3doe h PHE 181 N 0.32 -0.03 -0.36 1.37 3.57 -0.38 -0.53 116.94 120.90 3doe h PHE 181 Ca 0.09 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3doe h PHE 181 Cb -0.01 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 3doe h PHE 181 CO -0.05 -0.12 0.21 1.15 -2.23 0.00 0.00 178.31 177.26 3doe h THR 182 N 0.12 1.14 -0.24 4.41 2.02 -0.24 -1.88 112.91 118.24 3doe h THR 182 Ca 0.27 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 3doe h THR 182 Cb 0.41 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 3doe h THR 182 CO -0.44 0.14 0.14 0.00 0.37 0.00 0.00 175.52 175.72 3doe h ALA 183 N 1.07 0.31 -0.92 6.16 0.00 -0.56 -2.60 119.26 122.71 3doe h ALA 183 Ca 0.13 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.06 3doe h ALA 183 Cb 0.04 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 3doe h ALA 183 CO -0.02 -0.18 0.58 -0.44 0.00 0.00 0.00 179.25 179.19 3doe h ASP 184 N 0.29 0.90 -0.20 0.00 3.45 -1.00 -1.35 116.42 118.51 3doe h ASP 184 Ca 0.09 0.02 0.02 0.00 0.43 0.00 0.00 57.03 57.59 3doe h ASP 184 Cb 0.04 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 38.62 3doe h ASP 184 CO -0.02 0.55 0.05 0.25 -1.57 0.00 0.00 179.24 178.51 3doe h LEU 185 N 1.02 0.03 -0.35 1.55 5.85 -1.00 -2.31 115.31 120.10 3doe h LEU 185 Ca 0.41 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 59.12 3doe h LEU 185 Cb 0.23 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3doe h LEU 185 CO -0.19 0.05 -0.21 -0.33 -0.34 0.00 0.00 178.44 177.42 3doe h GLU 186 N 0.13 0.00 0.22 1.25 5.08 -1.17 -2.97 114.58 117.12 3doe h GLU 186 Ca 0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3doe h GLU 186 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3doe h GLU 186 CO -0.11 0.21 -0.11 1.25 -1.00 0.00 0.00 179.01 179.26 3doe h HIS 187 N 0.00 -0.27 0.00 4.33 2.76 -0.98 -2.01 115.15 118.97 3doe h HIS 187 Ca -0.00 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.14 3doe h HIS 187 Cb 1.03 0.09 -0.00 0.00 1.55 0.00 0.00 27.41 30.08 3doe h HIS 187 CO 0.00 0.12 -0.12 0.45 -1.30 0.00 0.00 177.93 177.08 3doe h HIS 188 N -0.81 0.00 0.00 5.26 3.86 -1.49 -3.06 115.15 118.91 3doe h HIS 188 Ca -0.03 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.01 3doe h HIS 188 Cb 0.51 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.95 3doe h HIS 188 CO 0.06 0.12 -1.52 0.72 0.86 0.00 0.00 177.93 178.17 3doe n HIS 189 N -3.30 0.84 -1.47 2.45 -0.00 -1.12 -5.13 115.22 107.49 3doe n HIS 189 Ca -0.00 0.28 0.00 0.00 -0.00 0.00 0.00 57.72 58.00 3doe n HIS 189 Cb 0.34 -1.04 0.00 0.00 -0.00 0.00 0.00 29.99 29.30 3doe n HIS 189 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06