#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ijw n ASN 2 N 0.00 0.00 0.11 0.00 3.02 -1.26 -1.64 115.26 115.48 3ijw n ASN 2 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.43 3ijw n ASN 2 Cb 0.00 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 3ijw n ASN 2 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 3ijw h ASP 3 N 0.00 -1.09 -1.03 6.41 5.19 -2.05 -2.33 116.42 121.51 3ijw h ASP 3 Ca 0.00 0.11 0.28 0.00 -0.62 0.00 0.00 57.03 56.80 3ijw h ASP 3 Cb 0.00 0.39 -0.12 0.00 0.18 0.00 0.00 39.33 39.78 3ijw h ASP 3 CO 0.00 -0.41 0.63 0.40 -3.12 0.00 0.00 179.24 176.74 3ijw h ILE 4 N -0.57 0.47 -0.37 0.35 2.04 -1.72 1.20 117.51 118.90 3ijw h ILE 4 Ca -0.01 -0.16 -0.12 0.00 1.00 0.00 0.00 64.86 65.57 3ijw h ILE 4 Cb 0.55 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 3ijw h ILE 4 CO -0.17 0.08 -0.24 0.58 0.00 0.00 0.00 178.15 178.40 3ijw h VAL 5 N 0.45 1.27 -0.72 1.67 2.07 -1.75 -3.05 116.25 116.20 3ijw h VAL 5 Ca 0.66 -1.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.80 3ijw h VAL 5 Cb 1.47 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 32.45 3ijw h VAL 5 CO -0.44 0.45 0.35 0.00 0.02 0.00 0.00 177.57 177.95 3ijw h ALA 6 N 1.08 0.93 -0.16 1.67 0.00 0.20 -2.57 119.26 120.41 3ijw h ALA 6 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3ijw h ALA 6 Cb 0.75 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3ijw h ALA 6 CO 0.06 0.49 0.00 -1.13 0.00 0.00 0.00 179.25 178.67 3ijw n SER 7 N -4.43 0.96 -4.30 0.00 3.41 -0.75 -4.79 113.62 103.72 3ijw n SER 7 Ca 0.06 -1.87 -0.33 0.00 -0.26 0.00 0.00 58.87 56.47 3ijw n SER 7 Cb 0.13 -0.10 -0.15 0.00 -0.26 0.00 0.00 64.21 63.82 3ijw n SER 7 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3ijw s THR 8 N -1.79 2.73 -0.05 6.66 2.01 -0.97 -4.97 115.64 119.26 3ijw s THR 8 Ca 0.18 -0.76 -0.22 0.00 0.31 0.00 0.00 61.69 61.19 3ijw s THR 8 Cb 0.09 -2.14 -0.30 0.00 0.01 0.00 0.00 72.50 70.16 3ijw s THR 8 CO 0.13 0.52 0.91 -0.61 -0.69 0.00 0.00 174.62 174.88 3ijw h GLN 9 N 7.02 0.28 -4.50 4.92 5.75 -1.86 -3.47 115.11 123.25 3ijw h GLN 9 Ca -0.28 -0.46 -0.24 0.00 -0.15 0.00 0.00 58.65 57.52 3ijw h GLN 9 Cb 1.20 0.17 -0.19 0.00 1.07 0.00 0.00 27.48 29.73 3ijw h GLN 9 CO 0.55 1.20 -0.72 -0.51 -2.65 0.00 0.00 178.83 176.71 3ijw s LEU 10 N -7.97 2.34 0.38 -2.39 1.43 -1.26 -5.13 118.68 106.08 3ijw s LEU 10 Ca -0.14 -0.69 -0.28 0.00 -1.03 0.00 0.00 54.13 51.99 3ijw s LEU 10 Cb 0.01 -0.09 -0.11 0.00 0.03 0.00 0.00 46.19 46.03 3ijw s LEU 10 CO 0.82 -0.31 1.42 -2.65 0.23 0.00 0.00 176.35 175.85 3ijw n PRO 11 N 1.00 2.45 -2.57 1.29 -0.02 -1.26 -4.94 135.00 130.95 3ijw n PRO 11 Ca -0.20 0.86 -0.41 0.00 -2.02 0.00 0.00 63.50 61.73 3ijw n PRO 11 Cb 0.57 -2.55 -0.04 0.00 -0.02 0.00 0.00 33.50 31.45 3ijw n PRO 11 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3ijw s ASN 12 N -0.23 7.29 0.34 2.55 0.01 -0.55 -4.93 114.94 119.43 3ijw s ASN 12 Ca 0.55 1.95 0.03 0.00 -0.71 0.00 0.00 52.86 54.68 3ijw s ASN 12 Cb -0.50 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 38.52 3ijw s ASN 12 CO 0.63 -0.24 0.10 0.42 -1.51 0.00 0.00 177.10 176.50 3ijw s THR 13 N 0.26 0.76 0.23 1.60 -4.23 -1.26 -0.16 115.64 112.83 3ijw s THR 13 Ca 0.51 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.95 3ijw s THR 13 Cb -0.27 -2.56 0.19 0.00 1.34 0.00 0.00 72.50 71.20 3ijw s THR 13 CO 0.32 0.00 1.72 0.40 -0.54 0.00 0.00 174.62 176.51 3ijw h ILE 14 N 2.04 0.64 0.00 2.99 2.04 -1.81 -0.29 117.51 123.12 3ijw h ILE 14 Ca -0.37 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 3ijw h ILE 14 Cb 1.26 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 3ijw h ILE 14 CO 0.61 0.06 -0.00 0.50 0.00 0.00 0.00 178.15 179.33 3ijw h LYS 15 N 0.35 -0.00 -0.17 2.37 3.64 -1.95 -0.63 116.57 120.18 3ijw h LYS 15 Ca 0.37 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.61 3ijw h LYS 15 Cb 0.56 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 3ijw h LYS 15 CO -0.41 0.09 -0.48 1.79 -2.27 0.00 0.00 179.45 178.17 3ijw h THR 16 N -0.09 1.32 -0.30 1.00 1.35 -1.83 -2.27 112.91 112.08 3ijw h THR 16 Ca -0.00 -1.70 -0.03 0.00 -0.55 0.00 0.00 66.41 64.13 3ijw h THR 16 Cb 0.09 1.72 -0.01 0.00 -1.73 0.00 0.00 68.15 68.22 3ijw h THR 16 CO 0.00 0.52 0.09 0.40 -0.25 0.00 0.00 175.52 176.28 3ijw h ILE 17 N 0.35 1.21 -0.78 6.82 2.04 -0.96 -1.87 117.51 124.32 3ijw h ILE 17 Ca 0.02 -0.67 0.16 0.00 1.00 0.00 0.00 64.86 65.36 3ijw h ILE 17 Cb 0.98 1.07 -0.10 0.00 -0.74 0.00 0.00 36.82 38.03 3ijw h ILE 17 CO 0.09 0.22 0.30 0.74 0.00 0.00 0.00 178.15 179.51 3ijw h THR 18 N 0.33 0.61 0.03 -0.27 2.02 -1.04 -0.46 112.91 114.13 3ijw h THR 18 Ca 0.10 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 3ijw h THR 18 Cb 0.26 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 3ijw h THR 18 CO -0.00 0.08 -0.01 -1.13 0.37 0.00 0.00 175.52 174.82 3ijw h ASN 19 N 0.42 -0.03 -0.88 4.18 -1.24 -1.18 -1.48 115.58 115.36 3ijw h ASN 19 Ca 0.44 -0.23 0.05 0.00 0.71 0.00 0.00 56.30 57.27 3ijw h ASN 19 Cb 0.71 0.01 -0.06 0.00 0.73 0.00 0.00 38.32 39.71 3ijw h ASN 19 CO -0.44 0.21 0.56 0.44 -1.29 0.00 0.00 177.43 176.91 3ijw h ASP 20 N -0.28 0.91 -0.31 1.15 3.32 -0.92 -1.28 116.42 119.02 3ijw h ASP 20 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3ijw h ASP 20 Cb 0.26 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3ijw h ASP 20 CO 0.01 0.60 0.16 -0.07 -1.72 0.00 0.00 179.24 178.22 3ijw h LEU 21 N 1.06 0.39 -0.89 1.55 3.38 -0.93 -1.83 115.31 118.04 3ijw h LEU 21 Ca 0.37 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.17 3ijw h LEU 21 Cb 0.09 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3ijw h LEU 21 CO -0.15 0.39 0.17 0.03 0.09 0.00 0.00 178.44 178.97 3ijw h ARG 22 N 0.37 0.98 -0.80 1.13 3.08 -0.92 -1.13 114.38 117.09 3ijw h ARG 22 Ca 0.11 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 3ijw h ARG 22 Cb 0.09 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 3ijw h ARG 22 CO -0.02 0.86 0.35 -0.22 -1.07 0.00 0.00 179.97 179.88 3ijw h LYS 23 N 0.94 1.17 0.00 0.04 3.64 -1.07 -2.19 116.57 119.12 3ijw h LYS 23 Ca 0.20 -0.19 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 3ijw h LYS 23 Cb 0.31 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 3ijw h LYS 23 CO -0.00 0.93 -0.38 1.25 -2.27 0.00 0.00 179.45 178.98 3ijw h LEU 24 N 1.15 0.00 0.00 5.20 5.85 -1.10 -3.46 115.31 122.94 3ijw h LEU 24 Ca 0.27 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.99 3ijw h LEU 24 Cb 0.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.20 3ijw h LEU 24 CO -0.03 0.38 0.00 0.61 -0.34 0.00 0.00 178.44 179.06 3ijw n GLY 25 N -0.25 0.50 3.77 3.75 0.00 -0.82 -4.92 105.19 107.21 3ijw n GLY 25 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3ijw n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ijw s LEU 26 N 0.00 4.22 0.26 0.99 1.02 -0.48 -4.99 118.68 119.70 3ijw s LEU 26 Ca 0.00 2.43 -0.14 0.00 0.02 0.00 0.00 54.13 56.44 3ijw s LEU 26 Cb 0.00 -3.97 0.00 0.00 0.02 0.00 0.00 46.19 42.25 3ijw s LEU 26 CO 0.00 -0.70 0.52 -1.59 0.02 0.00 0.00 176.35 174.60 3ijw s LYS 27 N -2.23 1.61 0.25 1.70 -2.85 -1.26 -4.16 119.74 112.80 3ijw s LYS 27 Ca 0.56 -1.24 -0.30 0.00 -1.00 0.00 0.00 55.97 53.99 3ijw s LYS 27 Cb -0.33 0.49 -0.11 0.00 -2.06 0.00 0.00 37.83 35.83 3ijw s LYS 27 CO 0.42 -0.68 1.56 0.21 0.10 0.00 0.00 175.35 176.95 3ijw s LYS 28 N -3.93 4.18 0.00 1.78 2.20 -1.08 -4.41 119.74 118.48 3ijw s LYS 28 Ca 0.21 2.47 0.00 0.00 -0.36 0.00 0.00 55.97 58.29 3ijw s LYS 28 Cb -0.02 -3.07 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 3ijw s LYS 28 CO 0.09 -0.58 0.00 0.41 -0.36 0.00 0.00 175.35 174.91 3ijw n GLY 29 N 2.60 0.34 2.71 5.54 0.00 -0.61 -4.92 105.19 110.86 3ijw n GLY 29 Ca 0.09 -0.51 -0.21 0.00 0.00 0.00 0.00 46.02 45.39 3ijw n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ijw s THR 31 N -1.98 0.05 -0.04 2.61 2.01 -1.26 -4.35 115.64 112.68 3ijw s THR 31 Ca 0.00 0.32 -0.01 0.00 0.31 0.00 0.00 61.69 62.30 3ijw s THR 31 Cb 0.00 -0.27 0.03 0.00 0.01 0.00 0.00 72.50 72.28 3ijw s THR 31 CO 0.00 0.20 0.09 0.54 -0.69 0.00 0.00 174.62 174.76 3ijw s VAL 32 N 2.04 -0.06 -0.10 3.82 0.11 0.22 -0.46 120.40 125.96 3ijw s VAL 32 Ca 0.04 0.20 -0.15 0.00 -2.93 0.00 0.00 61.98 59.14 3ijw s VAL 32 Cb -0.12 -0.16 -0.05 0.00 -1.53 0.00 0.00 36.38 34.52 3ijw s VAL 32 CO -0.04 0.08 0.38 -0.51 -3.33 0.00 0.00 175.10 171.68 3ijw s ILE 33 N 1.15 5.20 -0.07 7.04 2.07 -0.41 -1.01 121.20 135.19 3ijw s ILE 33 Ca -0.09 0.74 0.05 0.00 -1.41 0.00 0.00 60.65 59.94 3ijw s ILE 33 Cb -0.12 -3.70 -0.01 0.00 0.13 0.00 0.00 42.46 38.76 3ijw s ILE 33 CO -0.04 0.43 -0.23 -0.69 -1.91 0.00 0.00 174.94 172.49 3ijw s VAL 34 N 0.06 1.91 -0.04 4.00 1.01 -0.06 -0.96 120.40 126.32 3ijw s VAL 34 Ca 0.21 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.25 3ijw s VAL 34 Cb -0.15 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.61 3ijw s VAL 34 CO 0.08 0.53 -0.12 -1.00 0.00 0.00 0.00 175.10 174.60 3ijw s HIS 35 N 0.04 1.25 0.03 5.22 3.76 -0.19 -4.54 115.29 120.86 3ijw s HIS 35 Ca -0.08 -0.36 -0.14 0.00 -0.15 0.00 0.00 55.06 54.32 3ijw s HIS 35 Cb -0.15 -0.89 0.02 0.00 1.11 0.00 0.00 32.58 32.68 3ijw s HIS 35 CO 0.05 -0.16 0.32 -1.54 -0.85 0.00 0.00 174.74 172.55 3ijw s SER 36 N 0.29 -0.16 -0.23 1.40 1.04 -1.26 -1.09 113.70 113.69 3ijw s SER 36 Ca -0.06 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.27 3ijw s SER 36 Cb -0.11 0.35 0.03 0.00 0.10 0.00 0.00 66.02 66.39 3ijw s SER 36 CO 0.02 -0.58 -0.12 -0.55 0.98 0.00 0.00 173.24 172.99 3ijw s SER 37 N -1.87 3.96 0.13 7.02 0.15 -0.14 -4.81 113.70 118.15 3ijw s SER 37 Ca -0.07 -0.92 -0.16 0.00 0.70 0.00 0.00 55.95 55.50 3ijw s SER 37 Cb -0.02 -1.58 -0.01 0.00 -1.71 0.00 0.00 66.02 62.70 3ijw s SER 37 CO -0.01 -0.10 1.66 0.25 1.20 0.00 0.00 173.24 176.24 3ijw h LEU 38 N 7.93 0.57 -1.72 3.45 5.85 -1.97 -2.66 115.31 126.76 3ijw h LEU 38 Ca -0.34 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.15 3ijw h LEU 38 Cb 1.10 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 3ijw h LEU 38 CO 0.57 0.61 -0.17 0.77 -0.34 0.00 0.00 178.44 179.88 3ijw h SER 39 N 0.50 0.00 0.20 1.25 4.64 -1.96 -2.62 113.55 115.55 3ijw h SER 39 Ca 0.13 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.44 3ijw h SER 39 Cb 0.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3ijw h SER 39 CO -0.01 0.17 -0.06 0.77 -0.87 0.00 0.00 176.83 176.84 3ijw h SER 40 N 0.00 0.00 1.46 4.97 4.64 -1.83 -2.28 113.55 120.50 3ijw h SER 40 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3ijw h SER 40 Cb 0.36 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3ijw h SER 40 CO 0.02 0.06 -0.03 0.40 -0.87 0.00 0.00 176.83 176.41 3ijw h ILE 41 N 0.00 0.07 0.00 0.95 2.04 -1.58 -2.52 117.51 116.47 3ijw h ILE 41 Ca -0.00 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.03 3ijw h ILE 41 Cb 0.17 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 3ijw h ILE 41 CO 0.01 0.03 0.00 0.61 0.00 0.00 0.00 178.15 178.80 3ijw n GLY 42 N 0.55 -2.08 3.70 5.37 0.00 -0.86 -1.23 105.19 110.64 3ijw n GLY 42 Ca 0.02 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 3ijw n GLY 42 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3ijw s TRP 43 N -0.13 2.95 -0.10 1.61 -0.00 -1.25 -4.86 118.94 117.15 3ijw s TRP 43 Ca 0.00 0.79 0.04 0.00 -0.00 0.00 0.00 56.10 56.93 3ijw s TRP 43 Cb 0.00 -3.72 0.00 0.00 -0.00 0.00 0.00 33.47 29.75 3ijw s TRP 43 CO 0.00 -2.66 -0.22 0.42 -0.00 0.00 0.00 176.95 174.49 3ijw s ILE 44 N 1.89 1.92 -0.56 5.86 1.01 -1.26 -1.48 121.20 128.58 3ijw s ILE 44 Ca 0.66 -0.94 -0.28 0.00 0.00 0.00 0.00 60.65 60.09 3ijw s ILE 44 Cb -0.35 -1.67 0.01 0.00 0.01 0.00 0.00 42.46 40.46 3ijw s ILE 44 CO 0.29 0.53 1.42 -0.55 0.00 0.00 0.00 174.94 176.63 3ijw s SER 45 N 0.44 6.12 0.00 3.58 0.15 0.78 -2.57 113.70 122.19 3ijw s SER 45 Ca -0.17 0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.77 3ijw s SER 45 Cb -0.17 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 3ijw s SER 45 CO 0.07 -1.72 0.00 0.61 1.20 0.00 0.00 173.24 173.41 3ijw n GLY 46 N 5.26 0.79 7.00 9.45 0.00 -1.26 -4.59 105.19 121.84 3ijw n GLY 46 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3ijw n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ijw n GLY 47 N -0.99 3.27 0.36 -0.02 0.00 -1.06 -2.31 105.19 104.43 3ijw n GLY 47 Ca 0.00 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 45.89 3ijw n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ijw h ALA 48 N -0.93 1.68 -0.69 4.61 0.00 -1.93 -2.17 119.26 119.84 3ijw h ALA 48 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3ijw h ALA 48 Cb 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3ijw h ALA 48 CO 0.00 0.18 0.44 0.28 0.00 0.00 0.00 179.25 180.15 3ijw h VAL 49 N 0.81 1.12 -0.99 0.00 2.07 -1.84 -1.76 116.25 115.66 3ijw h VAL 49 Ca 0.36 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.59 3ijw h VAL 49 Cb 0.33 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.22 3ijw h VAL 49 CO -0.13 0.16 0.65 0.00 0.02 0.00 0.00 177.57 178.27 3ijw h ALA 50 N 1.28 1.29 -0.26 1.67 0.00 -1.40 0.10 119.26 121.95 3ijw h ALA 50 Ca 0.27 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3ijw h ALA 50 Cb -0.02 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 3ijw h ALA 50 CO -0.09 0.66 -0.05 0.28 0.00 0.00 0.00 179.25 180.04 3ijw h VAL 51 N 1.34 1.28 -0.39 0.00 2.07 -1.30 -1.19 116.25 118.06 3ijw h VAL 51 Ca 0.36 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 3ijw h VAL 51 Cb -0.15 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3ijw h VAL 51 CO -0.08 0.33 0.22 0.58 0.02 0.00 0.00 177.57 178.64 3ijw h VAL 52 N 0.25 1.14 -0.35 2.57 2.07 -1.10 -0.89 116.25 119.95 3ijw h VAL 52 Ca 0.07 -0.37 -0.08 0.00 0.82 0.00 0.00 66.70 67.14 3ijw h VAL 52 Cb 0.52 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3ijw h VAL 52 CO 0.02 0.15 -0.13 -0.33 0.02 0.00 0.00 177.57 177.30 3ijw h GLU 53 N 0.50 0.62 -0.37 1.57 4.39 -0.73 -2.76 114.58 117.80 3ijw h GLU 53 Ca 0.14 -0.20 -0.08 0.00 0.34 0.00 0.00 59.36 59.56 3ijw h GLU 53 Cb 0.05 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 3ijw h GLU 53 CO -0.02 0.74 -0.09 0.00 -1.16 0.00 0.00 179.01 178.47 3ijw h ALA 54 N 1.29 0.51 0.00 3.43 0.00 -0.85 0.38 119.26 124.02 3ijw h ALA 54 Ca 0.10 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3ijw h ALA 54 Cb 0.56 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3ijw h ALA 54 CO 0.04 0.37 0.00 1.28 0.00 0.00 0.00 179.25 180.94 3ijw n LEU 55 N -4.37 0.05 0.00 0.00 4.77 -0.37 -1.32 117.00 115.75 3ijw n LEU 55 Ca -0.02 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 3ijw n LEU 55 Cb 0.35 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3ijw n LEU 55 CO 0.42 0.01 0.00 1.21 -1.33 0.00 0.00 177.39 177.70 3ijw n GLU 57 N 0.65 0.00 -0.02 3.23 4.07 0.12 -1.10 120.64 127.59 3ijw n GLU 57 Ca 0.00 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.97 3ijw n GLU 57 Cb 0.01 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.29 3ijw n GLU 57 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 3ijw h VAL 58 N 0.00 1.40 -0.16 6.31 2.07 -1.46 -3.36 116.25 121.06 3ijw h VAL 58 Ca 0.00 -1.52 -0.17 0.00 0.82 0.00 0.00 66.70 65.83 3ijw h VAL 58 Cb 0.00 2.39 0.01 0.00 -1.52 0.00 0.00 31.29 32.17 3ijw h VAL 58 CO 0.00 0.38 -0.55 0.40 0.02 0.00 0.00 177.57 177.82 3ijw h ILE 59 N -0.73 1.32 -2.45 4.57 1.08 -1.32 -2.86 117.51 117.12 3ijw h ILE 59 Ca -0.00 -1.80 0.26 0.00 -0.39 0.00 0.00 64.86 62.92 3ijw h ILE 59 Cb 0.65 2.00 -0.12 0.00 -3.07 0.00 0.00 36.82 36.28 3ijw h ILE 59 CO 0.01 0.56 -0.76 0.35 -0.69 0.00 0.00 178.15 177.61 3ijw n THR 60 N -4.14 -0.29 0.19 -0.27 -2.24 -1.26 -1.57 114.28 104.70 3ijw n THR 60 Ca -0.07 0.49 0.17 0.00 -2.27 0.00 0.00 64.05 62.38 3ijw n THR 60 Cb 0.63 -0.84 0.81 0.00 -2.10 0.00 0.00 70.33 68.82 3ijw n THR 60 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3ijw h GLU 61 N -1.00 0.00 0.00 -0.78 5.08 -1.95 -0.29 114.58 115.64 3ijw h GLU 61 Ca -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3ijw h GLU 61 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 3ijw h GLU 61 CO 0.04 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.44 3ijw n GLU 62 N -3.84 0.02 -1.43 2.33 -0.58 -1.26 -0.86 120.64 115.01 3ijw n GLU 62 Ca 0.02 0.09 -0.01 0.00 -0.42 0.00 0.00 57.16 56.84 3ijw n GLU 62 Cb 0.36 -1.53 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 3ijw n GLU 62 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ijw n GLY 63 N 1.05 2.70 2.80 0.62 0.00 -0.12 -4.40 105.19 107.85 3ijw n GLY 63 Ca 0.06 -2.16 -0.15 0.00 0.00 0.00 0.00 46.02 43.77 3ijw n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ijw s THR 64 N 0.19 -0.07 -0.12 2.61 2.01 -1.26 -1.24 115.64 117.76 3ijw s THR 64 Ca 0.02 0.23 -0.02 0.00 0.31 0.00 0.00 61.69 62.22 3ijw s THR 64 Cb -0.00 -0.13 -0.03 0.00 0.01 0.00 0.00 72.50 72.35 3ijw s THR 64 CO 0.01 0.09 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.38 3ijw s ILE 65 N 1.21 4.02 0.33 1.82 1.01 0.16 -0.61 121.20 129.14 3ijw s ILE 65 Ca -0.08 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.26 3ijw s ILE 65 Cb -0.13 -2.72 -0.01 0.00 0.01 0.00 0.00 42.46 39.62 3ijw s ILE 65 CO -0.04 0.54 0.08 -0.38 0.00 0.00 0.00 174.94 175.14 3ijw n ILE 66 N 2.88 0.00 -4.02 2.92 -0.00 -0.18 -0.72 119.36 120.25 3ijw n ILE 66 Ca -0.18 -1.82 -0.35 0.00 -0.00 0.00 0.00 62.75 60.40 3ijw n ILE 66 Cb 0.53 0.56 -0.07 0.00 -0.00 0.00 0.00 39.64 40.66 3ijw n ILE 66 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 3ijw s PRO 68 N -3.25 3.28 -0.37 0.38 0.04 -1.26 -0.88 135.00 132.94 3ijw s PRO 68 Ca 0.11 -0.28 0.12 0.00 0.04 0.00 0.00 61.00 60.99 3ijw s PRO 68 Cb 0.01 -3.04 0.44 0.00 0.04 0.00 0.00 34.50 31.95 3ijw s PRO 68 CO 0.08 0.72 1.03 0.25 0.04 0.00 0.00 177.00 179.12 3ijw n THR 69 N 1.69 1.65 -1.82 1.26 -2.24 0.01 -4.82 114.28 110.00 3ijw n THR 69 Ca -0.17 -3.90 -0.37 0.00 -2.27 0.00 0.00 64.05 57.34 3ijw n THR 69 Cb 0.54 -0.20 0.06 0.00 -2.10 0.00 0.00 70.33 68.62 3ijw n THR 69 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3ijw s GLN 70 N -3.34 2.74 -0.39 -0.78 -0.21 -1.22 -4.35 119.66 112.11 3ijw s GLN 70 Ca 0.37 2.03 0.09 0.00 0.02 0.00 0.00 55.36 57.86 3ijw s GLN 70 Cb 0.43 -1.92 0.27 0.00 1.00 0.00 0.00 33.01 32.79 3ijw s GLN 70 CO -0.06 -1.44 0.59 -1.13 -2.12 0.00 0.00 175.29 171.13 3ijw n SER 71 N -1.70 0.21 0.02 5.90 3.41 -0.83 -1.65 113.62 118.99 3ijw n SER 71 Ca 0.15 -2.79 0.07 0.00 -0.26 0.00 0.00 58.87 56.04 3ijw n SER 71 Cb 0.48 -0.54 0.32 0.00 -0.26 0.00 0.00 64.21 64.21 3ijw n SER 71 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3ijw n SER 72 N 1.14 0.10 0.31 4.04 3.41 -1.26 -2.29 113.62 119.06 3ijw n SER 72 Ca 0.21 0.52 0.19 0.00 -0.26 0.00 0.00 58.87 59.54 3ijw n SER 72 Cb 0.57 -0.54 1.04 0.00 -0.26 0.00 0.00 64.21 65.01 3ijw n SER 72 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3ijw h ASP 73 N 0.00 0.00 0.08 4.04 3.32 -1.94 -2.37 116.42 119.55 3ijw h ASP 73 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ijw h ASP 73 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3ijw h ASP 73 CO 0.00 0.00 -0.17 0.18 -1.72 0.00 0.00 179.24 177.53 3ijw n LEU 74 N -3.33 1.63 -4.81 1.55 4.32 -0.97 -4.98 117.00 110.40 3ijw n LEU 74 Ca -0.02 -0.53 -0.30 0.00 -0.02 0.00 0.00 56.01 55.15 3ijw n LEU 74 Cb 0.16 -0.05 0.09 0.00 -1.62 0.00 0.00 43.42 42.01 3ijw n LEU 74 CO 0.22 0.29 0.72 -0.94 -1.22 0.00 0.00 177.39 176.45 3ijw s SER 75 N -2.26 4.46 0.07 -1.43 1.04 -0.89 -4.28 113.70 110.40 3ijw s SER 75 Ca 0.28 1.21 -0.31 0.00 0.48 0.00 0.00 55.95 57.62 3ijw s SER 75 Cb 0.20 -1.92 -0.09 0.00 0.10 0.00 0.00 66.02 64.30 3ijw s SER 75 CO 0.44 -1.98 1.81 -0.62 0.98 0.00 0.00 173.24 173.86 3ijw s ASP 76 N -4.00 6.49 0.08 7.02 -1.08 -1.11 -4.86 116.67 119.22 3ijw s ASP 76 Ca 0.61 2.63 0.13 0.00 -0.52 0.00 0.00 52.55 55.39 3ijw s ASP 76 Cb -0.14 -2.55 0.57 0.00 -1.46 0.00 0.00 42.92 39.34 3ijw s ASP 76 CO 0.54 -0.98 1.40 -0.81 0.52 0.00 0.00 175.17 175.83 3ijw n PRO 77 N 6.26 0.05 0.26 4.34 -0.04 -1.26 -2.50 135.00 142.10 3ijw n PRO 77 Ca 0.18 0.40 0.17 0.00 -0.04 0.00 0.00 63.50 64.21 3ijw n PRO 77 Cb 0.40 -1.62 0.91 0.00 -0.04 0.00 0.00 33.50 33.14 3ijw n PRO 77 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 3ijw h LYS 78 N 0.00 0.00 -0.02 0.54 2.10 -1.93 -1.89 116.57 115.37 3ijw h LYS 78 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3ijw h LYS 78 Cb 0.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 3ijw h LYS 78 CO 0.00 0.00 -0.38 0.72 -2.00 0.00 0.00 179.45 177.79 3ijw n HIS 79 N -3.65 0.00 -2.65 0.07 8.25 -1.04 -4.99 115.22 111.21 3ijw n HIS 79 Ca -0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 3ijw n HIS 79 Cb 0.23 -0.02 -0.05 0.00 1.12 0.00 0.00 29.99 31.27 3ijw n HIS 79 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3ijw s TRP 80 N -2.42 3.81 0.00 4.41 0.51 -0.71 -4.96 118.94 119.59 3ijw s TRP 80 Ca 0.21 1.83 0.00 0.00 -2.12 0.00 0.00 56.10 56.02 3ijw s TRP 80 Cb 0.19 -3.09 0.00 0.00 -0.81 0.00 0.00 33.47 29.76 3ijw s TRP 80 CO 0.53 0.07 0.21 -1.13 -0.51 0.00 0.00 176.95 176.13 3ijw n SER 81 N 1.29 0.00 -3.16 2.95 3.41 -1.26 -4.06 113.62 112.79 3ijw n SER 81 Ca -0.01 -1.00 -0.23 0.00 -0.26 0.00 0.00 58.87 57.37 3ijw n SER 81 Cb 0.46 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.35 3ijw n SER 81 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3ijw n ARG 82 N 0.00 0.71 -3.34 4.33 0.63 -1.26 -4.03 116.66 113.70 3ijw n ARG 82 Ca 0.00 -3.13 -0.20 0.00 -0.92 0.00 0.00 57.85 53.60 3ijw n ARG 82 Cb 0.40 -1.23 -0.00 0.00 0.45 0.00 0.00 32.46 32.08 3ijw n ARG 82 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3ijw s PRO 83 N -1.05 2.57 0.72 -0.14 0.04 -1.26 -5.19 135.00 130.69 3ijw s PRO 83 Ca 0.35 -1.50 -0.08 0.00 0.04 0.00 0.00 61.00 59.81 3ijw s PRO 83 Cb 0.17 -2.51 0.06 0.00 0.04 0.00 0.00 34.50 32.26 3ijw s PRO 83 CO -0.12 -0.35 1.04 -1.25 0.04 0.00 0.00 177.00 176.37 3ijw s PRO 84 N -4.29 2.17 0.09 0.56 0.04 -1.26 -4.85 135.00 127.48 3ijw s PRO 84 Ca 0.51 -0.18 0.04 0.00 0.04 0.00 0.00 61.00 61.41 3ijw s PRO 84 Cb -0.06 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 3ijw s PRO 84 CO 0.30 -1.29 -0.10 0.14 0.04 0.00 0.00 177.00 176.09 3ijw s VAL 85 N -3.30 0.94 0.51 -0.36 -7.23 -1.26 -4.98 120.40 104.71 3ijw s VAL 85 Ca 0.60 -1.62 -0.21 0.00 -1.81 0.00 0.00 61.98 58.95 3ijw s VAL 85 Cb -0.11 -1.34 -0.09 0.00 0.56 0.00 0.00 36.38 35.41 3ijw s VAL 85 CO 0.46 -0.54 0.79 -2.65 -0.31 0.00 0.00 175.10 172.84 3ijw n PRO 86 N 0.60 0.87 0.22 4.82 -0.02 -1.26 -4.88 135.00 135.35 3ijw n PRO 86 Ca -0.16 0.33 0.07 0.00 -2.02 0.00 0.00 63.50 61.72 3ijw n PRO 86 Cb 0.58 -1.90 0.50 0.00 -0.02 0.00 0.00 33.50 32.66 3ijw n PRO 86 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3ijw h GLU 87 N 0.77 0.00 0.00 -0.52 4.81 -2.00 -1.62 114.58 116.02 3ijw h GLU 87 Ca -0.45 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.76 3ijw h GLU 87 Cb 1.37 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.75 3ijw h GLU 87 CO 0.52 0.26 -0.10 1.05 -0.73 0.00 0.00 179.01 180.01 3ijw h GLU 88 N 0.00 0.00 0.00 1.92 9.09 -2.05 -1.91 114.58 121.63 3ijw h GLU 88 Ca -0.00 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 59.30 3ijw h GLU 88 Cb 0.57 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.65 3ijw h GLU 88 CO 0.03 0.10 -0.50 -1.49 0.05 0.00 0.00 179.01 177.20 3ijw h TRP 89 N 0.00 0.00 -0.33 2.06 4.06 -1.64 -3.38 115.95 116.73 3ijw h TRP 89 Ca -0.00 0.00 0.05 0.00 2.06 0.00 0.00 58.89 61.00 3ijw h TRP 89 Cb 0.23 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.34 3ijw h TRP 89 CO 0.00 0.50 0.02 -1.49 -3.56 0.00 0.00 178.44 173.91 3ijw h TRP 90 N 0.00 0.02 0.00 0.49 4.06 -1.39 -0.24 115.95 118.89 3ijw h TRP 90 Ca -0.00 0.02 -0.10 0.00 2.06 0.00 0.00 58.89 60.86 3ijw h TRP 90 Cb 0.88 0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 29.07 3ijw h TRP 90 CO 0.00 -0.03 -0.50 0.37 -3.56 0.00 0.00 178.44 174.72 3ijw h GLN 91 N 0.12 0.00 -0.33 0.49 5.75 -1.75 -2.45 115.11 116.94 3ijw h GLN 91 Ca 0.16 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.61 3ijw h GLN 91 Cb 0.20 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.74 3ijw h GLN 91 CO -0.25 0.50 0.01 0.82 -2.65 0.00 0.00 178.83 177.26 3ijw h ILE 92 N 0.00 1.25 -0.12 2.39 2.04 -1.54 -2.37 117.51 119.16 3ijw h ILE 92 Ca -0.00 -0.93 0.04 0.00 1.00 0.00 0.00 64.86 64.97 3ijw h ILE 92 Cb 1.16 1.21 -0.05 0.00 -0.74 0.00 0.00 36.82 38.40 3ijw h ILE 92 CO 0.06 0.31 -0.16 0.40 0.00 0.00 0.00 178.15 178.76 3ijw h ILE 93 N 0.39 0.58 -0.83 -0.67 2.04 -0.85 -1.79 117.51 116.38 3ijw h ILE 93 Ca 0.10 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.06 3ijw h ILE 93 Cb 0.42 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 37.02 3ijw h ILE 93 CO 0.01 0.00 0.54 0.03 0.00 0.00 0.00 178.15 178.74 3ijw h ARG 94 N -0.20 0.74 0.00 2.37 3.08 -1.39 0.16 114.38 119.14 3ijw h ARG 94 Ca 0.09 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 3ijw h ARG 94 Cb 0.34 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3ijw h ARG 94 CO -0.24 0.49 -0.23 -0.44 -1.07 0.00 0.00 179.97 178.48 3ijw h ASP 95 N 0.76 0.00 0.00 7.04 3.32 -0.92 -3.40 116.42 123.23 3ijw h ASP 95 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 3ijw h ASP 95 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3ijw h ASP 95 CO -0.16 0.21 -0.87 0.59 -1.72 0.00 0.00 179.24 177.30 3ijw n ASN 96 N -3.15 4.34 -4.72 6.45 3.02 -0.72 -5.04 115.26 115.45 3ijw n ASN 96 Ca 0.03 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.16 3ijw n ASN 96 Cb 0.62 0.87 -0.03 0.00 -0.61 0.00 0.00 39.78 40.62 3ijw n ASN 96 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3ijw s VAL 97 N -1.74 2.39 0.40 2.41 0.11 0.51 -4.90 120.40 119.57 3ijw s VAL 97 Ca 0.00 0.26 -0.27 0.00 -2.93 0.00 0.00 61.98 59.04 3ijw s VAL 97 Cb 0.00 -3.16 -0.10 0.00 -1.53 0.00 0.00 36.38 31.59 3ijw s VAL 97 CO 0.00 0.02 1.42 -2.84 -3.33 0.00 0.00 175.10 170.37 3ijw s PRO 98 N 1.27 3.99 0.40 1.54 0.02 -1.26 -4.84 135.00 136.11 3ijw s PRO 98 Ca 0.73 2.43 -0.25 0.00 0.02 0.00 0.00 61.00 63.92 3ijw s PRO 98 Cb -0.46 -2.85 -0.11 0.00 0.02 0.00 0.00 34.50 31.10 3ijw s PRO 98 CO 0.32 -0.58 1.13 0.00 -0.33 0.00 0.00 177.00 177.54 3ijw n ALA 99 N 0.25 0.66 -1.67 -1.55 0.00 -1.26 -4.84 120.51 112.10 3ijw n ALA 99 Ca 0.02 0.27 -0.48 0.00 0.00 0.00 0.00 53.44 53.25 3ijw n ALA 99 Cb 0.41 -2.16 -0.05 0.00 0.00 0.00 0.00 19.45 17.65 3ijw n ALA 99 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ijw n PHE 100 N -0.25 2.21 -3.83 0.00 7.35 -0.61 -4.92 117.46 117.42 3ijw n PHE 100 Ca 0.08 0.20 -0.24 0.00 -0.76 0.00 0.00 57.45 56.73 3ijw n PHE 100 Cb 0.38 -2.57 -0.17 0.00 0.35 0.00 0.00 39.48 37.47 3ijw n PHE 100 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 3ijw s GLU 101 N 2.48 0.87 0.49 -4.13 2.02 -1.26 -4.34 118.70 114.82 3ijw s GLU 101 Ca 0.87 0.00 0.24 0.00 0.02 0.00 0.00 54.97 56.10 3ijw s GLU 101 Cb -0.74 -1.13 1.28 0.00 0.10 0.00 0.00 34.13 33.65 3ijw s GLU 101 CO 0.47 -0.28 2.02 -1.00 0.02 0.00 0.00 175.26 176.49 3ijw h PRO 102 N 8.23 0.00 0.00 0.39 0.13 -1.94 0.14 132.00 138.95 3ijw h PRO 102 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 3ijw h PRO 102 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3ijw h PRO 102 CO 0.31 0.16 0.00 0.45 -0.23 0.00 0.00 178.00 178.69 3ijw h HIS 103 N 0.00 0.00 0.00 1.56 3.86 -1.97 -3.40 115.15 115.20 3ijw h HIS 103 Ca -0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.13 3ijw h HIS 103 Cb 0.39 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 3ijw h HIS 103 CO 0.00 0.00 -1.27 -0.89 0.86 0.00 0.00 177.93 176.63 3ijw n ILE 104 N -2.39 0.27 -1.66 2.45 5.41 0.25 -5.02 119.36 118.67 3ijw n ILE 104 Ca 0.05 -0.08 -0.44 0.00 1.00 0.00 0.00 62.75 63.28 3ijw n ILE 104 Cb 0.44 -1.39 -0.04 0.00 -0.71 0.00 0.00 39.64 37.94 3ijw n ILE 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 3ijw n THR 105 N -3.11 0.69 -2.00 1.39 -1.04 0.07 -4.94 114.28 105.33 3ijw n THR 105 Ca -0.09 -0.14 -0.33 0.00 -2.04 0.00 0.00 64.05 61.44 3ijw n THR 105 Cb 0.57 -2.17 0.02 0.00 -1.82 0.00 0.00 70.33 66.93 3ijw n THR 105 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3ijw s PRO 106 N 4.44 3.17 0.66 -2.82 0.02 -1.26 -4.98 135.00 134.23 3ijw s PRO 106 Ca 0.91 1.34 -0.11 0.00 0.02 0.00 0.00 61.00 63.16 3ijw s PRO 106 Cb -0.53 -2.00 -0.01 0.00 0.02 0.00 0.00 34.50 31.98 3ijw s PRO 106 CO 0.45 -0.95 1.05 0.95 -0.33 0.00 0.00 177.00 178.17 3ijw s THR 107 N -2.29 3.96 -0.09 0.99 -4.23 -1.26 -4.70 115.64 108.01 3ijw s THR 107 Ca 0.66 0.56 0.02 0.00 -1.18 0.00 0.00 61.69 61.76 3ijw s THR 107 Cb -0.19 -3.62 0.01 0.00 1.34 0.00 0.00 72.50 70.05 3ijw s THR 107 CO 0.36 -0.80 -0.15 -0.60 -0.54 0.00 0.00 174.62 172.89 3ijw s ARG 108 N -5.25 2.10 -0.43 3.99 3.52 -0.66 -4.97 118.95 117.26 3ijw s ARG 108 Ca 0.56 -0.54 -0.02 0.00 -0.13 0.00 0.00 55.73 55.61 3ijw s ARG 108 Cb -0.11 -1.73 -0.02 0.00 -1.56 0.00 0.00 34.95 31.53 3ijw s ARG 108 CO 0.52 0.01 0.38 0.00 -0.81 0.00 0.00 175.30 175.40 3ijw n ALA 109 N 3.95 -1.56 -3.28 6.12 0.00 -1.26 -4.75 120.51 119.74 3ijw n ALA 109 Ca -0.20 0.04 -0.10 0.00 0.00 0.00 0.00 53.44 53.18 3ijw n ALA 109 Cb 0.52 -2.22 -0.04 0.00 0.00 0.00 0.00 19.45 17.71 3ijw n ALA 109 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3ijw s GLY 111 N -2.96 -0.12 0.47 0.00 0.00 -1.26 -5.11 107.32 98.34 3ijw s GLY 111 Ca 0.14 -0.18 0.22 0.00 0.00 0.00 0.00 44.72 44.90 3ijw s GLY 111 CO 0.33 -0.25 1.99 0.50 0.00 0.00 0.00 173.10 175.67 3ijw h LYS 112 N 2.21 0.00 -0.55 2.90 1.57 -1.99 -1.83 116.57 118.87 3ijw h LYS 112 Ca -0.29 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.41 3ijw h LYS 112 Cb 1.26 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.55 3ijw h LYS 112 CO 0.38 0.19 0.05 0.28 -0.57 0.00 0.00 179.45 179.78 3ijw h VAL 113 N 0.00 1.26 -0.35 0.50 2.07 -1.91 -1.83 116.25 115.99 3ijw h VAL 113 Ca -0.00 -1.04 -0.09 0.00 0.82 0.00 0.00 66.70 66.39 3ijw h VAL 113 Cb 0.42 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3ijw h VAL 113 CO 0.02 0.37 -0.15 0.58 0.02 0.00 0.00 177.57 178.41 3ijw h VAL 114 N 0.83 1.29 -0.91 2.57 2.07 -1.77 -0.45 116.25 119.87 3ijw h VAL 114 Ca 0.16 -1.26 0.10 0.00 0.82 0.00 0.00 66.70 66.52 3ijw h VAL 114 Cb 0.47 1.37 -0.07 0.00 -1.52 0.00 0.00 31.29 31.54 3ijw h VAL 114 CO 0.02 0.41 0.58 -0.33 0.02 0.00 0.00 177.57 178.28 3ijw h GLU 115 N 0.50 0.87 -0.00 1.57 4.39 -1.29 -0.02 114.58 120.59 3ijw h GLU 115 Ca 0.08 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 3ijw h GLU 115 Cb 0.69 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 3ijw h GLU 115 CO 0.05 0.57 -0.00 0.00 -1.16 0.00 0.00 179.01 178.47 3ijw h PHE 117 N -0.57 0.27 0.00 0.00 3.57 -0.71 -2.39 116.94 117.12 3ijw h PHE 117 Ca 0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3ijw h PHE 117 Cb 0.58 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 3ijw h PHE 117 CO 0.13 0.11 -0.03 0.07 -2.23 0.00 0.00 178.31 176.35 3ijw h ARG 118 N 0.32 0.00 -0.00 1.11 0.11 -1.09 -1.18 114.38 113.64 3ijw h ARG 118 Ca 0.19 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.27 3ijw h ARG 118 Cb 0.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.24 3ijw h ARG 118 CO -0.18 0.03 -0.30 0.25 0.10 0.00 0.00 179.97 179.87 3ijw n THR 119 N -3.24 0.00 -1.88 0.08 -2.24 -0.90 -4.87 114.28 101.22 3ijw n THR 119 Ca -0.01 -0.01 -0.38 0.00 -2.27 0.00 0.00 64.05 61.38 3ijw n THR 119 Cb 0.20 -0.04 0.03 0.00 -2.10 0.00 0.00 70.33 68.42 3ijw n THR 119 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3ijw s TYR 120 N -2.97 2.45 0.19 4.78 2.02 -0.45 -4.93 117.35 118.45 3ijw s TYR 120 Ca 0.13 1.39 -0.11 0.00 -0.37 0.00 0.00 57.07 58.10 3ijw s TYR 120 Cb 0.18 -3.74 0.20 0.00 -0.40 0.00 0.00 41.96 38.20 3ijw s TYR 120 CO 0.62 -2.62 1.77 -1.00 -1.57 0.00 0.00 175.55 172.75 3ijw h PRO 121 N 1.77 0.44 -0.73 -1.71 0.13 -1.92 -2.30 132.00 127.69 3ijw h PRO 121 Ca -0.51 -0.03 -0.22 0.00 -0.87 0.00 0.00 66.00 64.38 3ijw h PRO 121 Cb 1.28 -0.10 -0.13 0.00 0.13 0.00 0.00 31.00 32.18 3ijw h PRO 121 CO 0.59 0.29 0.26 0.09 -0.23 0.00 0.00 178.00 179.01 3ijw n ASN 122 N -4.94 4.77 -4.73 1.44 4.13 -1.26 -4.92 115.26 109.76 3ijw n ASN 122 Ca 0.06 -3.24 -0.40 0.00 1.68 0.00 0.00 54.58 52.68 3ijw n ASN 122 Cb 0.20 -0.74 -0.04 0.00 -1.54 0.00 0.00 39.78 37.65 3ijw n ASN 122 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3ijw s VAL 123 N -3.01 4.85 0.06 2.41 1.01 -0.87 -4.62 120.40 120.24 3ijw s VAL 123 Ca 0.55 1.71 0.08 0.00 0.00 0.00 0.00 61.98 64.32 3ijw s VAL 123 Cb 0.44 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 3ijw s VAL 123 CO 0.13 0.27 -0.19 0.68 0.00 0.00 0.00 175.10 175.99 3ijw s VAL 124 N 0.50 2.72 -0.04 2.92 -7.23 0.15 -4.93 120.40 114.50 3ijw s VAL 124 Ca 0.42 -1.30 0.07 0.00 -1.81 0.00 0.00 61.98 59.36 3ijw s VAL 124 Cb -0.20 -2.16 -0.02 0.00 0.56 0.00 0.00 36.38 34.56 3ijw s VAL 124 CO 0.23 0.28 -0.25 -0.60 -0.31 0.00 0.00 175.10 174.45 3ijw s ARG 125 N -1.60 2.24 0.92 4.82 3.52 -1.26 -0.65 118.95 126.93 3ijw s ARG 125 Ca 0.15 -0.89 -0.12 0.00 -0.13 0.00 0.00 55.73 54.74 3ijw s ARG 125 Cb -0.10 -2.03 0.14 0.00 -1.56 0.00 0.00 34.95 31.39 3ijw s ARG 125 CO 0.06 0.46 1.09 -1.54 -0.81 0.00 0.00 175.30 174.57 3ijw s SER 126 N -0.39 3.33 -1.02 -2.12 1.04 0.76 -4.97 113.70 110.33 3ijw s SER 126 Ca 0.04 1.37 -0.08 0.00 0.48 0.00 0.00 55.95 57.76 3ijw s SER 126 Cb -0.11 -2.05 0.26 0.00 0.10 0.00 0.00 66.02 64.21 3ijw s SER 126 CO 0.01 -2.72 0.98 0.21 0.98 0.00 0.00 173.24 172.70 3ijw s ASN 127 N -3.49 6.91 -0.09 7.02 2.47 -1.26 -4.61 114.94 121.89 3ijw s ASN 127 Ca 0.64 -3.50 -0.05 0.00 0.42 0.00 0.00 52.86 50.37 3ijw s ASN 127 Cb -0.18 -2.13 0.04 0.00 -1.45 0.00 0.00 41.25 37.53 3ijw s ASN 127 CO 0.57 -0.30 0.21 -2.28 -3.72 0.00 0.00 177.10 171.57 3ijw s HIS 128 N -1.08 -0.25 -0.47 0.43 2.46 -1.26 -4.70 115.29 110.41 3ijw s HIS 128 Ca 0.28 0.63 0.25 0.00 0.47 0.00 0.00 55.06 56.70 3ijw s HIS 128 Cb -0.10 0.02 0.97 0.00 -0.13 0.00 0.00 32.58 33.35 3ijw s HIS 128 CO -0.09 -0.18 1.75 -1.00 -2.47 0.00 0.00 174.74 172.75 3ijw h PRO 129 N 6.78 0.00 0.00 2.88 0.13 -1.92 -3.25 132.00 136.63 3ijw h PRO 129 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 3ijw h PRO 129 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3ijw h PRO 129 CO 0.39 0.00 -0.91 1.28 -0.23 0.00 0.00 178.00 178.52 3ijw n LEU 130 N -2.34 1.78 -0.99 1.56 4.77 -1.26 -4.60 117.00 115.91 3ijw n LEU 130 Ca 0.03 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.00 3ijw n LEU 130 Cb 0.28 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.53 3ijw n LEU 130 CO 0.23 0.30 0.30 0.61 -1.33 0.00 0.00 177.39 177.49 3ijw n GLY 131 N 3.14 5.14 3.71 -0.72 0.00 -1.25 -1.96 105.19 113.24 3ijw n GLY 131 Ca 0.00 -1.57 -0.31 0.00 0.00 0.00 0.00 46.02 44.14 3ijw n GLY 131 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ijw s SER 132 N -3.26 3.60 0.09 1.61 1.04 -1.22 -4.87 113.70 110.68 3ijw s SER 132 Ca 0.40 1.84 0.04 0.00 0.48 0.00 0.00 55.95 58.71 3ijw s SER 132 Cb 0.38 -2.45 -0.03 0.00 0.10 0.00 0.00 66.02 64.02 3ijw s SER 132 CO -0.05 -2.62 -0.11 -0.36 0.98 0.00 0.00 173.24 171.08 3ijw s PHE 133 N -2.81 1.09 0.06 5.02 0.08 -1.26 -0.81 117.98 119.35 3ijw s PHE 133 Ca 0.64 -0.60 0.07 0.00 0.12 0.00 0.00 56.93 57.15 3ijw s PHE 133 Cb -0.19 -0.60 -0.03 0.00 -0.57 0.00 0.00 43.02 41.62 3ijw s PHE 133 CO 0.57 0.02 -0.16 0.00 -0.10 0.00 0.00 175.22 175.55 3ijw s ALA 134 N -2.16 2.69 0.03 5.36 0.00 -1.26 -0.17 121.76 126.25 3ijw s ALA 134 Ca 0.04 -1.22 -0.03 0.00 0.00 0.00 0.00 51.96 50.74 3ijw s ALA 134 Cb -0.05 -0.77 -0.02 0.00 0.00 0.00 0.00 23.12 22.29 3ijw s ALA 134 CO 0.01 0.59 0.04 0.00 0.00 0.00 0.00 175.76 176.39 3ijw s ALA 135 N -1.01 0.10 -0.02 0.00 0.00 0.17 -4.26 121.76 116.75 3ijw s ALA 135 Ca 0.16 -0.68 -0.01 0.00 0.00 0.00 0.00 51.96 51.43 3ijw s ALA 135 Cb -0.11 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.24 3ijw s ALA 135 CO 0.07 -0.28 0.04 -0.46 0.00 0.00 0.00 175.76 175.13 3ijw s TRP 136 N -2.53 -0.04 0.00 0.00 -0.00 0.11 -0.67 118.94 115.81 3ijw s TRP 136 Ca -0.06 0.11 0.00 0.00 -0.00 0.00 0.00 56.10 56.16 3ijw s TRP 136 Cb -0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 33.47 33.44 3ijw s TRP 136 CO -0.05 -0.03 0.00 0.41 -0.00 0.00 0.00 176.95 177.28 3ijw n GLY 137 N 3.22 -1.14 0.17 5.86 0.00 -1.26 -0.66 105.19 111.36 3ijw n GLY 137 Ca -0.14 -2.08 -0.05 0.00 0.00 0.00 0.00 46.02 43.75 3ijw n GLY 137 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3ijw h ARG 138 N 0.00 -0.00 -0.61 1.61 2.43 0.43 -1.97 114.38 116.28 3ijw h ARG 138 Ca 0.00 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 3ijw h ARG 138 Cb 0.00 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.49 3ijw h ARG 138 CO 0.00 -0.00 0.12 0.72 -1.51 0.00 0.00 179.97 179.30 3ijw n HIS 139 N -5.30 2.10 -0.12 2.20 8.25 -1.26 -4.69 115.22 116.41 3ijw n HIS 139 Ca 0.02 -0.99 -0.09 0.00 -0.26 0.00 0.00 57.72 56.40 3ijw n HIS 139 Cb 0.21 -0.57 -0.01 0.00 1.12 0.00 0.00 29.99 30.74 3ijw n HIS 139 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ijw h ALA 140 N 3.07 0.46 0.09 -1.41 0.00 -1.62 -1.55 119.26 118.30 3ijw h ALA 140 Ca 0.13 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ijw h ALA 140 Cb 2.08 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.73 3ijw h ALA 140 CO 0.57 0.04 -0.04 1.49 0.00 0.00 0.00 179.25 181.31 3ijw h GLU 141 N 0.44 -0.12 -0.89 0.00 4.81 -1.83 -2.35 114.58 114.63 3ijw h GLU 141 Ca 0.12 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.42 3ijw h GLU 141 Cb 0.15 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.50 3ijw h GLU 141 CO -0.01 0.11 0.56 1.49 -0.73 0.00 0.00 179.01 180.43 3ijw h GLU 142 N -0.34 1.01 -0.40 1.92 4.81 -1.87 -2.07 114.58 117.64 3ijw h GLU 142 Ca -0.01 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.03 3ijw h GLU 142 Cb 0.29 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3ijw h GLU 142 CO 0.02 0.67 -0.26 0.82 -0.73 0.00 0.00 179.01 179.53 3ijw h ILE 143 N 1.04 1.27 0.00 2.32 2.04 -1.24 -3.33 117.51 119.61 3ijw h ILE 143 Ca 0.38 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.83 3ijw h ILE 143 Cb 0.13 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 3ijw h ILE 143 CO -0.16 0.47 -0.90 0.35 0.00 0.00 0.00 178.15 177.91 3ijw n THR 144 N -4.09 0.09 -2.62 -0.27 -2.24 -0.89 -3.88 114.28 100.38 3ijw n THR 144 Ca -0.00 -0.14 -0.32 0.00 -2.27 0.00 0.00 64.05 61.33 3ijw n THR 144 Cb 0.46 0.38 -0.04 0.00 -2.10 0.00 0.00 70.33 69.04 3ijw n THR 144 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3ijw s VAL 145 N -3.11 4.62 -1.38 2.28 -7.23 -0.82 -4.23 120.40 110.52 3ijw s VAL 145 Ca 0.06 1.01 -0.04 0.00 -1.81 0.00 0.00 61.98 61.20 3ijw s VAL 145 Cb 0.15 -3.71 0.00 0.00 0.56 0.00 0.00 36.38 33.39 3ijw s VAL 145 CO 0.79 -0.58 0.56 0.59 -0.31 0.00 0.00 175.10 176.15 3ijw n ASN 146 N -1.37 -5.65 -4.73 4.85 3.02 -1.26 -4.95 115.26 105.17 3ijw n ASN 146 Ca 0.05 -0.26 -0.42 0.00 -0.03 0.00 0.00 54.58 53.92 3ijw n ASN 146 Cb 0.54 -4.48 -0.03 0.00 -0.61 0.00 0.00 39.78 35.20 3ijw n ASN 146 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3ijw s GLN 147 N -5.59 4.42 0.42 3.52 0.74 -1.26 -4.82 119.66 117.09 3ijw s GLN 147 Ca 0.28 1.93 -0.24 0.00 0.05 0.00 0.00 55.36 57.38 3ijw s GLN 147 Cb -0.12 -3.25 -0.08 0.00 1.10 0.00 0.00 33.01 30.65 3ijw s GLN 147 CO 0.34 -0.23 1.11 0.45 -0.55 0.00 0.00 175.29 176.42 3ijw s SER 148 N 0.56 6.52 0.00 6.67 0.15 -1.23 -4.89 113.70 121.49 3ijw s SER 148 Ca 0.57 2.18 -0.25 0.00 0.70 0.00 0.00 55.95 59.16 3ijw s SER 148 Cb -0.34 -2.60 -0.15 0.00 -1.71 0.00 0.00 66.02 61.23 3ijw s SER 148 CO 0.34 -0.67 1.12 0.25 1.20 0.00 0.00 173.24 175.49 3ijw h LEU 149 N 2.37 -0.52 -7.74 3.45 5.85 -1.95 -3.38 115.31 113.40 3ijw h LEU 149 Ca -0.49 -0.09 -0.46 0.00 0.84 0.00 0.00 57.88 57.68 3ijw h LEU 149 Cb 1.23 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.35 3ijw h LEU 149 CO 0.62 -0.14 1.54 -1.20 -0.34 0.00 0.00 178.44 178.92 3ijw n SER 150 N -5.22 3.52 0.00 1.25 7.64 -1.26 -4.90 113.62 114.64 3ijw n SER 150 Ca -0.10 -2.76 0.00 0.00 1.01 0.00 0.00 58.87 57.02 3ijw n SER 150 Cb 0.30 -1.68 0.00 0.00 -1.01 0.00 0.00 64.21 61.82 3ijw n SER 150 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3ijw n SER 152 N 11.97 0.46 -1.00 6.43 3.41 -1.26 -4.93 113.62 128.70 3ijw n SER 152 Ca 0.47 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 59.12 3ijw n SER 152 Cb 0.46 0.05 0.24 0.00 -0.26 0.00 0.00 64.21 64.69 3ijw n SER 152 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ijw n LEU 153 N -0.63 4.02 0.00 1.04 4.77 -1.26 -4.60 117.00 120.34 3ijw n LEU 153 Ca 0.00 -3.25 0.00 0.00 -0.03 0.00 0.00 56.01 52.73 3ijw n LEU 153 Cb 0.05 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 3ijw n LEU 153 CO 0.00 0.85 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 3ijw n GLY 154 N -0.72 2.76 0.17 -0.72 0.00 -1.26 -3.88 105.19 101.53 3ijw n GLY 154 Ca 0.26 -1.74 0.13 0.00 0.00 0.00 0.00 46.02 44.68 3ijw n GLY 154 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ijw h GLU 155 N 0.00 0.00 -0.58 1.61 4.39 -1.96 -2.17 114.58 115.87 3ijw h GLU 155 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 3ijw h GLU 155 Cb 0.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 3ijw h GLU 155 CO 0.00 0.00 0.03 0.39 -1.16 0.00 0.00 179.01 178.27 3ijw n GLU 156 N -2.52 4.69 -3.91 2.33 -0.58 -1.26 -4.76 120.64 114.64 3ijw n GLU 156 Ca 0.02 -3.15 -0.23 0.00 -0.42 0.00 0.00 57.16 53.38 3ijw n GLU 156 Cb 0.31 -2.25 -0.06 0.00 -0.57 0.00 0.00 31.44 28.87 3ijw n GLU 156 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3ijw s SER 157 N -0.87 4.66 0.52 1.62 1.04 -0.81 -3.47 113.70 116.38 3ijw s SER 157 Ca 0.54 -0.95 0.25 0.00 0.48 0.00 0.00 55.95 56.27 3ijw s SER 157 Cb 0.42 -0.51 1.36 0.00 0.10 0.00 0.00 66.02 67.39 3ijw s SER 157 CO 0.15 -0.59 1.97 -0.65 0.98 0.00 0.00 173.24 175.10 3ijw h PRO 158 N 1.27 0.06 -0.72 4.02 0.11 -1.87 -1.77 132.00 133.10 3ijw h PRO 158 Ca -0.42 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 3ijw h PRO 158 Cb 1.26 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 3ijw h PRO 158 CO 0.65 0.04 0.39 -0.07 -0.21 0.00 0.00 178.00 178.80 3ijw h LEU 159 N 0.06 0.91 -0.68 2.35 3.38 -1.89 -1.28 115.31 118.17 3ijw h LEU 159 Ca 0.30 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 58.04 3ijw h LEU 159 Cb 1.11 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 3ijw h LEU 159 CO -0.02 0.75 -0.39 -0.09 0.09 0.00 0.00 178.44 178.78 3ijw h ARG 160 N 1.00 0.58 -0.68 1.13 9.65 -1.49 -2.33 114.38 122.22 3ijw h ARG 160 Ca 0.25 -0.29 -0.07 0.00 -1.10 0.00 0.00 59.98 58.77 3ijw h ARG 160 Cb 0.05 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.61 3ijw h ARG 160 CO -0.04 0.87 0.14 0.87 2.80 0.00 0.00 179.97 184.61 3ijw h LYS 161 N 0.48 1.12 -0.56 0.20 1.79 -1.13 -0.62 116.57 117.84 3ijw h LYS 161 Ca 0.04 -0.29 -0.03 0.00 -2.18 0.00 0.00 60.65 58.20 3ijw h LYS 161 Cb 0.89 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 31.38 3ijw h LYS 161 CO 0.08 1.00 0.25 0.82 -1.08 0.00 0.00 179.45 180.52 3ijw h ILE 162 N 1.04 1.21 -0.50 1.86 2.04 -1.14 -2.20 117.51 119.82 3ijw h ILE 162 Ca 0.21 -0.62 0.05 0.00 1.00 0.00 0.00 64.86 65.50 3ijw h ILE 162 Cb 0.41 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.03 3ijw h ILE 162 CO 0.01 0.25 0.24 0.22 0.00 0.00 0.00 178.15 178.86 3ijw h TYR 163 N 0.76 0.43 0.00 1.37 3.20 -0.84 -1.69 116.97 120.20 3ijw h TYR 163 Ca 0.19 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.01 3ijw h TYR 163 Cb 0.15 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 3ijw h TYR 163 CO 0.00 0.20 -0.33 -0.44 -1.64 0.00 0.00 178.16 175.94 3ijw h ASP 164 N 0.46 0.00 -0.02 -2.11 3.32 -0.83 -1.21 116.42 116.03 3ijw h ASP 164 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3ijw h ASP 164 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3ijw h ASP 164 CO -0.18 0.33 0.00 0.18 -1.72 0.00 0.00 179.24 177.86 3ijw n LEU 165 N -4.13 0.27 -3.86 1.55 4.77 -0.69 -4.91 117.00 109.99 3ijw n LEU 165 Ca -0.02 -0.10 -0.27 0.00 -0.03 0.00 0.00 56.01 55.59 3ijw n LEU 165 Cb 0.38 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.47 3ijw n LEU 165 CO 0.38 0.05 -0.01 -0.67 -1.33 0.00 0.00 177.39 175.82 3ijw n ASP 166 N -0.69 -2.82 -3.26 -1.43 2.03 -0.46 -4.93 116.55 104.99 3ijw n ASP 166 Ca 0.18 -0.84 -0.20 0.00 0.52 0.00 0.00 54.79 54.45 3ijw n ASP 166 Cb 0.13 -3.77 0.15 0.00 -0.72 0.00 0.00 41.12 36.91 3ijw n ASP 166 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3ijw n GLY 167 N -1.67 -1.96 3.42 0.27 0.00 -0.86 -4.86 105.19 99.53 3ijw n GLY 167 Ca -0.12 -1.60 -0.22 0.00 0.00 0.00 0.00 46.02 44.08 3ijw n GLY 167 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ijw s TYR 168 N -2.70 2.07 -0.09 1.61 2.02 0.39 -0.71 117.35 119.93 3ijw s TYR 168 Ca 0.50 -0.42 0.02 0.00 -0.37 0.00 0.00 57.07 56.80 3ijw s TYR 168 Cb -0.03 -0.92 0.01 0.00 -0.40 0.00 0.00 41.96 40.63 3ijw s TYR 168 CO 0.37 0.58 -0.16 0.42 -1.57 0.00 0.00 175.55 175.19 3ijw s ILE 169 N -2.67 1.47 -0.18 2.71 1.01 -1.26 -1.28 121.20 120.99 3ijw s ILE 169 Ca 0.27 -0.65 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 3ijw s ILE 169 Cb -0.03 -1.33 0.00 0.00 0.01 0.00 0.00 42.46 41.11 3ijw s ILE 169 CO 0.12 0.43 -0.13 -0.22 0.00 0.00 0.00 174.94 175.14 3ijw s LEU 170 N 0.79 2.51 -0.21 2.97 2.96 -0.13 -4.25 118.68 123.32 3ijw s LEU 170 Ca -0.11 -0.49 -0.05 0.00 -0.22 0.00 0.00 54.13 53.25 3ijw s LEU 170 Cb -0.16 -1.59 -0.02 0.00 0.50 0.00 0.00 46.19 44.92 3ijw s LEU 170 CO 0.02 0.03 0.01 -0.76 -1.32 0.00 0.00 176.35 174.33 3ijw s LEU 171 N 1.13 3.28 -0.43 -0.68 1.43 -0.50 -1.02 118.68 121.88 3ijw s LEU 171 Ca 0.01 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 52.89 3ijw s LEU 171 Cb -0.14 -1.84 0.12 0.00 0.03 0.00 0.00 46.19 44.35 3ijw s LEU 171 CO -0.05 0.04 0.20 -0.63 0.23 0.00 0.00 176.35 176.15 3ijw s ILE 172 N 1.15 3.04 -0.83 -0.59 1.01 -0.25 -1.38 121.20 123.35 3ijw s ILE 172 Ca 0.03 -2.37 0.00 0.00 0.00 0.00 0.00 60.65 58.31 3ijw s ILE 172 Cb -0.14 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.23 3ijw s ILE 172 CO 0.02 -0.71 0.00 0.61 0.00 0.00 0.00 174.94 174.86 3ijw n GLY 173 N 4.22 0.93 3.44 6.18 0.00 -0.74 -0.97 105.19 118.26 3ijw n GLY 173 Ca 0.01 -0.33 -0.21 0.00 0.00 0.00 0.00 46.02 45.49 3ijw n GLY 173 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ijw s VAL 174 N -2.11 1.29 0.00 1.61 -7.23 -1.26 -4.65 120.40 108.05 3ijw s VAL 174 Ca 0.00 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 3ijw s VAL 174 Cb 0.00 -2.69 0.00 0.00 0.56 0.00 0.00 36.38 34.25 3ijw s VAL 174 CO 0.00 -0.10 0.00 0.61 -0.31 0.00 0.00 175.10 175.30 3ijw n GLY 175 N -0.65 3.26 0.20 2.32 0.00 -1.26 -4.92 105.19 104.14 3ijw n GLY 175 Ca -0.03 -2.16 0.14 0.00 0.00 0.00 0.00 46.02 43.97 3ijw n GLY 175 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3ijw h TYR 176 N 0.49 0.00 0.00 1.61 0.05 -1.92 -1.11 116.97 116.09 3ijw h TYR 176 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3ijw h TYR 176 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 3ijw h TYR 176 CO 0.00 0.00 0.00 0.38 -1.05 0.00 0.00 178.16 177.49 3ijw h ASP 177 N 0.00 0.00 0.06 3.88 2.03 -1.83 -1.28 116.42 119.28 3ijw h ASP 177 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3ijw h ASP 177 Cb 0.50 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.00 3ijw h ASP 177 CO 0.00 0.00 -0.31 -1.20 -1.03 0.00 0.00 179.24 176.70 3ijw n SER 178 N -2.62 1.80 -4.55 4.15 7.64 -0.42 -4.80 113.62 114.82 3ijw n SER 178 Ca -0.00 -1.39 -0.43 0.00 1.01 0.00 0.00 58.87 58.06 3ijw n SER 178 Cb 0.17 0.28 -0.00 0.00 -1.01 0.00 0.00 64.21 63.65 3ijw n SER 178 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3ijw s ASN 179 N -2.39 6.88 0.38 6.43 3.84 -0.48 -4.83 114.94 124.77 3ijw s ASN 179 Ca 0.23 -2.55 0.16 0.00 0.21 0.00 0.00 52.86 50.92 3ijw s ASN 179 Cb 0.19 -2.54 1.04 0.00 -0.55 0.00 0.00 41.25 39.40 3ijw s ASN 179 CO 0.50 -1.08 1.77 0.74 -2.79 0.00 0.00 177.10 176.25 3ijw h THR 180 N 5.39 0.55 -0.67 -5.21 2.02 -1.87 -1.68 112.91 111.44 3ijw h THR 180 Ca 0.41 -0.15 0.19 0.00 0.77 0.00 0.00 66.41 67.62 3ijw h THR 180 Cb 0.88 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 3ijw h THR 180 CO 1.40 0.08 0.48 0.28 0.37 0.00 0.00 175.52 178.14 3ijw h SER 181 N 0.45 0.02 0.55 4.18 0.02 -1.96 -0.45 113.55 116.35 3ijw h SER 181 Ca 0.59 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.54 3ijw h SER 181 Cb 1.40 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.94 3ijw h SER 181 CO -0.32 0.01 -0.03 0.58 -1.14 0.00 0.00 176.83 175.93 3ijw h VAL 182 N 0.02 0.12 -0.68 2.27 2.07 -1.68 -1.44 116.25 116.93 3ijw h VAL 182 Ca 0.32 -0.36 0.10 0.00 0.82 0.00 0.00 66.70 67.59 3ijw h VAL 182 Cb 1.26 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 32.29 3ijw h VAL 182 CO -0.01 0.03 0.45 0.45 0.02 0.00 0.00 177.57 178.51 3ijw h HIS 183 N 0.00 0.55 -0.67 1.57 3.86 -1.27 -0.79 115.15 118.39 3ijw h HIS 183 Ca -0.00 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 3ijw h HIS 183 Cb 0.31 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.57 3ijw h HIS 183 CO 0.00 0.25 0.36 1.25 0.86 0.00 0.00 177.93 180.65 3ijw h LEU 184 N 0.51 0.83 -0.49 2.43 5.85 -1.37 -1.14 115.31 121.93 3ijw h LEU 184 Ca 0.32 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 59.01 3ijw h LEU 184 Cb 0.56 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 3ijw h LEU 184 CO -0.10 0.68 0.26 0.28 -0.34 0.00 0.00 178.44 179.22 3ijw h SER 185 N 0.93 0.39 -0.32 1.25 0.02 -1.26 -0.79 113.55 113.78 3ijw h SER 185 Ca 0.24 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.25 3ijw h SER 185 Cb 0.04 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.49 3ijw h SER 185 CO -0.04 0.27 0.07 -0.33 -1.14 0.00 0.00 176.83 175.67 3ijw h GLU 186 N 0.51 0.19 -0.05 3.45 5.08 -1.00 -1.91 114.58 120.85 3ijw h GLU 186 Ca 0.21 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.59 3ijw h GLU 186 Cb 0.10 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 3ijw h GLU 186 CO -0.14 0.12 -0.12 0.28 -1.00 0.00 0.00 179.01 178.16 3ijw h VAL 187 N 0.19 0.68 0.00 3.13 2.07 -0.99 -1.26 116.25 120.08 3ijw h VAL 187 Ca 0.15 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.62 3ijw h VAL 187 Cb 0.15 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3ijw h VAL 187 CO -0.19 0.00 -0.23 0.03 0.02 0.00 0.00 177.57 177.20 3ijw h ARG 188 N -0.19 0.00 -0.02 1.57 3.08 -0.85 -2.82 114.38 115.15 3ijw h ARG 188 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3ijw h ARG 188 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3ijw h ARG 188 CO -0.16 0.23 -0.21 -1.13 -1.07 0.00 0.00 179.97 177.63 3ijw n SER 189 N -3.80 2.50 -3.37 7.04 3.41 -0.75 -4.96 113.62 113.69 3ijw n SER 189 Ca -0.02 -1.75 -0.24 0.00 -0.26 0.00 0.00 58.87 56.61 3ijw n SER 189 Cb 0.33 0.21 0.06 0.00 -0.26 0.00 0.00 64.21 64.55 3ijw n SER 189 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ijw n GLY 190 N 1.38 -0.54 0.23 5.00 0.00 -0.73 -4.75 105.19 105.79 3ijw n GLY 190 Ca 0.12 0.20 0.10 0.00 0.00 0.00 0.00 46.02 46.45 3ijw n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ijw h ALA 191 N 1.01 1.17 -2.45 4.61 0.00 -1.54 -3.45 119.26 118.61 3ijw h ALA 191 Ca -0.55 -0.19 -0.36 0.00 0.00 0.00 0.00 54.91 53.81 3ijw h ALA 191 Cb 1.37 -0.03 -0.16 0.00 0.00 0.00 0.00 17.79 18.97 3ijw h ALA 191 CO 0.57 0.25 -0.73 0.00 0.00 0.00 0.00 179.25 179.35 3ijw s GLU 193 N -3.35 3.10 -0.02 0.00 0.41 -1.26 -4.71 118.70 112.87 3ijw s GLU 193 Ca 0.14 1.19 -0.21 0.00 -0.41 0.00 0.00 54.97 55.67 3ijw s GLU 193 Cb -0.00 -2.00 -0.05 0.00 -1.78 0.00 0.00 34.13 30.29 3ijw s GLU 193 CO 0.02 -0.99 0.62 -0.51 -0.49 0.00 0.00 175.26 173.90 3ijw s LEU 194 N -4.84 4.39 0.19 1.80 1.43 -1.26 -1.04 118.68 119.35 3ijw s LEU 194 Ca 0.63 1.16 0.08 0.00 -1.03 0.00 0.00 54.13 54.97 3ijw s LEU 194 Cb -0.16 -2.96 -0.05 0.00 0.03 0.00 0.00 46.19 43.05 3ijw s LEU 194 CO 0.42 0.05 -0.15 0.27 0.23 0.00 0.00 176.35 177.18 3ijw s ILE 195 N 0.03 1.73 -0.25 -0.59 -4.36 0.37 -4.92 121.20 113.22 3ijw s ILE 195 Ca 0.32 -2.14 -0.21 0.00 -0.26 0.00 0.00 60.65 58.36 3ijw s ILE 195 Cb -0.18 -1.98 -0.02 0.00 1.25 0.00 0.00 42.46 41.53 3ijw s ILE 195 CO 0.17 -0.54 0.66 -0.54 0.24 0.00 0.00 174.94 174.94 3ijw s LYS 196 N -3.45 4.13 0.45 0.37 1.02 -1.26 -1.71 119.74 119.29 3ijw s LYS 196 Ca 0.21 0.62 0.03 0.00 0.02 0.00 0.00 55.97 56.85 3ijw s LYS 196 Cb -0.02 -3.64 -0.04 0.00 -0.52 0.00 0.00 37.83 33.61 3ijw s LYS 196 CO 0.07 -0.42 0.03 0.14 -0.92 0.00 0.00 175.35 174.24 3ijw s VAL 197 N 2.52 1.33 0.16 3.17 -7.23 0.12 -4.99 120.40 115.48 3ijw s VAL 197 Ca 0.28 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.30 3ijw s VAL 197 Cb -0.15 -2.48 0.02 0.00 0.56 0.00 0.00 36.38 34.32 3ijw s VAL 197 CO 0.08 0.00 0.42 -0.83 -0.31 0.00 0.00 175.10 174.47 3ijw s GLY 198 N -3.76 -0.04 -0.14 2.32 0.00 -1.26 -1.63 107.32 102.81 3ijw s GLY 198 Ca 0.19 -0.30 -0.30 0.00 0.00 0.00 0.00 44.72 44.31 3ijw s GLY 198 CO 0.10 -0.41 0.98 0.00 0.00 0.00 0.00 173.10 173.77 3ijw s ALA 199 N -3.87 -1.92 -0.18 3.20 0.00 -0.70 -2.73 121.76 115.58 3ijw s ALA 199 Ca 0.08 1.50 -0.19 0.00 0.00 0.00 0.00 51.96 53.35 3ijw s ALA 199 Cb 0.01 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 3ijw s ALA 199 CO -0.06 -0.37 0.54 -1.25 0.00 0.00 0.00 175.76 174.62 3ijw s PRO 200 N -1.42 4.24 0.22 0.00 0.04 -1.26 -0.42 135.00 136.40 3ijw s PRO 200 Ca -0.01 0.48 0.06 0.00 0.04 0.00 0.00 61.00 61.58 3ijw s PRO 200 Cb -0.01 -3.53 -0.05 0.00 0.04 0.00 0.00 34.50 30.95 3ijw s PRO 200 CO 0.00 -0.09 -0.10 0.96 0.04 0.00 0.00 177.00 177.81 3ijw s ILE 201 N 1.44 1.53 -0.31 0.56 -4.36 0.27 -1.57 121.20 118.76 3ijw s ILE 201 Ca 0.26 -2.14 -0.24 0.00 -0.26 0.00 0.00 60.65 58.27 3ijw s ILE 201 Cb -0.16 -2.16 0.00 0.00 1.25 0.00 0.00 42.46 41.40 3ijw s ILE 201 CO 0.10 -0.51 0.81 -0.63 0.24 0.00 0.00 174.94 174.96 3ijw s ILE 202 N -3.10 4.77 -0.02 8.37 -1.09 -1.26 -0.18 121.20 128.68 3ijw s ILE 202 Ca 0.24 1.20 0.00 0.00 -2.23 0.00 0.00 60.65 59.86 3ijw s ILE 202 Cb 0.02 -4.17 0.03 0.00 -1.58 0.00 0.00 42.46 36.75 3ijw s ILE 202 CO 0.07 -0.28 0.02 -0.70 -1.23 0.00 0.00 174.94 172.82 3ijw s GLU 203 N 3.02 0.06 -0.98 2.79 2.12 0.28 -4.83 118.70 121.16 3ijw s GLU 203 Ca 0.33 0.14 -0.08 0.00 0.36 0.00 0.00 54.97 55.73 3ijw s GLU 203 Cb -0.14 -0.30 0.01 0.00 0.26 0.00 0.00 34.13 33.96 3ijw s GLU 203 CO 0.13 -0.15 0.15 0.09 -0.54 0.00 0.00 175.26 174.94 3ijw n ASN 204 N 4.10 -0.45 0.00 -1.70 5.03 -1.26 -2.70 115.26 118.29 3ijw n ASN 204 Ca -0.27 -0.88 0.00 0.00 0.87 0.00 0.00 54.58 54.30 3ijw n ASN 204 Cb 0.51 -1.08 0.00 0.00 -1.02 0.00 0.00 39.78 38.19 3ijw n ASN 204 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ijw n GLY 205 N -1.97 1.64 3.27 7.41 0.00 -1.26 -5.06 105.19 109.23 3ijw n GLY 205 Ca -0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 3ijw n GLY 205 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3ijw s GLU 206 N -0.04 1.08 0.14 1.61 -1.05 -1.10 -5.09 118.70 114.26 3ijw s GLU 206 Ca 0.00 -1.28 -0.31 0.00 -0.15 0.00 0.00 54.97 53.23 3ijw s GLU 206 Cb 0.00 0.33 -0.09 0.00 -0.44 0.00 0.00 34.13 33.93 3ijw s GLU 206 CO 0.00 -0.37 1.53 0.50 0.95 0.00 0.00 175.26 177.87 3ijw s ARG 207 N -4.00 4.24 -0.02 -4.83 3.52 -1.26 -0.56 118.95 116.04 3ijw s ARG 207 Ca 0.20 2.28 0.01 0.00 -0.13 0.00 0.00 55.73 58.09 3ijw s ARG 207 Cb 0.05 -3.22 0.01 0.00 -1.56 0.00 0.00 34.95 30.22 3ijw s ARG 207 CO 0.01 -0.57 -0.04 0.08 -0.81 0.00 0.00 175.30 173.96 3ijw s VAL 208 N 1.29 0.41 -0.43 7.11 1.01 0.74 -4.91 120.40 125.62 3ijw s VAL 208 Ca 0.69 -0.16 -0.26 0.00 0.00 0.00 0.00 61.98 62.25 3ijw s VAL 208 Cb -0.41 -0.39 0.02 0.00 0.00 0.00 0.00 36.38 35.60 3ijw s VAL 208 CO 0.31 0.14 0.94 0.86 0.00 0.00 0.00 175.10 177.35 3ijw s TRP 209 N 0.24 2.98 -0.19 5.22 -0.11 -1.26 -0.57 118.94 125.25 3ijw s TRP 209 Ca -0.03 0.56 -0.07 0.00 1.22 0.00 0.00 56.10 57.79 3ijw s TRP 209 Cb -0.06 -3.87 -0.04 0.00 -1.50 0.00 0.00 33.47 28.00 3ijw s TRP 209 CO -0.00 -1.00 0.05 0.21 -4.62 0.00 0.00 176.95 171.58 3ijw s LYS 210 N 3.69 3.85 -0.05 5.86 2.47 0.44 -4.92 119.74 131.08 3ijw s LYS 210 Ca 0.38 -0.41 -0.14 0.00 -1.56 0.00 0.00 55.97 54.25 3ijw s LYS 210 Cb -0.11 -3.19 -0.05 0.00 -1.46 0.00 0.00 37.83 33.03 3ijw s LYS 210 CO 0.24 0.16 0.35 -1.21 0.16 0.00 0.00 175.35 175.05 3ijw s GLU 211 N 0.66 3.93 0.38 4.03 2.02 -1.26 -1.71 118.70 126.74 3ijw s GLU 211 Ca 0.02 0.28 -0.07 0.00 0.02 0.00 0.00 54.97 55.22 3ijw s GLU 211 Cb -0.13 -3.27 0.03 0.00 0.10 0.00 0.00 34.13 30.86 3ijw s GLU 211 CO 0.02 0.59 0.61 -0.59 0.02 0.00 0.00 175.26 175.91 3ijw s PHE 212 N -0.68 0.74 -0.08 1.61 -0.12 -0.65 -5.01 117.98 113.80 3ijw s PHE 212 Ca 0.21 -1.15 0.01 0.00 -0.05 0.00 0.00 56.93 55.95 3ijw s PHE 212 Cb -0.15 0.29 -0.03 0.00 -0.63 0.00 0.00 43.02 42.50 3ijw s PHE 212 CO 0.10 -1.35 -0.10 0.08 -0.05 0.00 0.00 175.22 173.90 3ijw s VAL 213 N -2.59 3.39 0.00 -2.49 1.01 -1.26 -0.70 120.40 117.75 3ijw s VAL 213 Ca 0.25 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.65 3ijw s VAL 213 Cb -0.02 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.97 3ijw s VAL 213 CO 0.18 0.57 0.00 -0.67 0.00 0.00 0.00 175.10 175.18 3ijw n ASP 214 N 2.65 0.00 -3.42 3.32 -0.08 -0.69 -4.29 116.55 114.03 3ijw n ASP 214 Ca -0.18 0.00 -0.26 0.00 -1.51 0.00 0.00 54.79 52.84 3ijw n ASP 214 Cb 0.53 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.90 3ijw n ASP 214 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 3ijw n ASP 216 N 0.00 2.33 -4.65 1.67 2.03 -0.21 -0.48 116.55 117.25 3ijw n ASP 216 Ca 0.00 -3.12 -0.42 0.00 0.52 0.00 0.00 54.79 51.77 3ijw n ASP 216 Cb 0.00 -0.66 0.01 0.00 -0.72 0.00 0.00 41.12 39.74 3ijw n ASP 216 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 3ijw n TYR 217 N 1.31 1.60 -3.38 -0.67 4.01 -1.26 -4.73 117.16 114.03 3ijw n TYR 217 Ca 0.26 0.55 -0.17 0.00 -0.16 0.00 0.00 57.90 58.39 3ijw n TYR 217 Cb 0.44 -2.30 -0.09 0.00 -0.31 0.00 0.00 39.34 37.09 3ijw n TYR 217 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3ijw s ASP 218 N -0.62 1.42 0.00 7.72 2.15 -1.26 -4.99 116.67 121.09 3ijw s ASP 218 Ca 0.61 -1.06 0.23 0.00 0.43 0.00 0.00 52.55 52.77 3ijw s ASP 218 Cb -0.56 0.55 1.13 0.00 -0.30 0.00 0.00 42.92 43.75 3ijw s ASP 218 CO 0.58 -0.34 1.76 -1.54 -0.17 0.00 0.00 175.17 175.46 3ijw n SER 219 N 4.90 0.00 0.27 -0.34 3.41 -1.26 -3.10 113.62 117.50 3ijw n SER 219 Ca 0.03 0.09 0.18 0.00 -0.26 0.00 0.00 58.87 58.91 3ijw n SER 219 Cb 0.46 -0.34 0.92 0.00 -0.26 0.00 0.00 64.21 64.99 3ijw n SER 219 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3ijw h ASP 220 N 0.00 0.00 0.98 4.04 3.32 -1.94 -1.82 116.42 121.00 3ijw h ASP 220 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ijw h ASP 220 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3ijw h ASP 220 CO 0.00 0.00 -0.25 0.29 -1.72 0.00 0.00 179.24 177.56 3ijw n LYS 221 N -2.81 0.13 0.10 3.56 4.01 -1.18 -4.30 118.16 117.66 3ijw n LYS 221 Ca -0.02 0.07 -0.04 0.00 -0.51 0.00 0.00 58.31 57.82 3ijw n LYS 221 Cb 0.11 -1.62 0.03 0.00 -0.51 0.00 0.00 35.03 33.05 3ijw n LYS 221 CO 0.00 0.00 0.00 0.74 -1.11 0.00 0.00 177.40 177.03 3ijw h PHE 222 N 0.00 0.00 -0.58 2.13 0.04 -1.56 -2.93 116.94 114.04 3ijw h PHE 222 Ca 0.00 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.79 3ijw h PHE 222 Cb 0.61 -0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.73 3ijw h PHE 222 CO 0.00 0.80 0.37 0.28 -0.60 0.00 0.00 178.31 179.16 3ijw h VAL 223 N 0.00 1.09 -0.73 -0.55 2.07 -1.75 -0.29 116.25 116.10 3ijw h VAL 223 Ca -0.01 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 3ijw h VAL 223 Cb 1.42 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 3ijw h VAL 223 CO 0.10 0.13 0.31 -0.08 0.02 0.00 0.00 177.57 178.06 3ijw h GLU 224 N 0.73 1.08 -0.70 1.57 4.81 -1.81 -1.74 114.58 118.51 3ijw h GLU 224 Ca 0.23 -0.18 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3ijw h GLU 224 Cb -0.01 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.15 3ijw h GLU 224 CO -0.08 0.87 0.46 0.82 -0.73 0.00 0.00 179.01 180.35 3ijw h ILE 225 N 1.04 1.17 -0.82 2.32 2.04 -1.30 -2.78 117.51 119.18 3ijw h ILE 225 Ca 0.25 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 3ijw h ILE 225 Cb 0.18 0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 36.37 3ijw h ILE 225 CO -0.02 0.17 0.47 1.23 0.00 0.00 0.00 178.15 179.99 3ijw h GLY 226 N 0.94 1.22 0.96 5.37 0.00 -0.56 0.12 103.07 111.12 3ijw h GLY 226 Ca 0.26 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 3ijw h GLY 226 CO -0.06 0.52 0.20 -2.08 0.00 0.00 0.00 176.54 175.12 3ijw h VAL 227 N 1.14 1.20 -0.19 4.60 2.07 -1.15 -0.77 116.25 123.15 3ijw h VAL 227 Ca 0.29 -0.59 -0.20 0.00 0.82 0.00 0.00 66.70 67.03 3ijw h VAL 227 Cb 0.01 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3ijw h VAL 227 CO -0.05 0.22 -0.67 -0.08 0.02 0.00 0.00 177.57 177.01 3ijw h GLU 228 N 0.60 0.73 -0.67 1.57 4.81 -1.18 -3.02 114.58 117.42 3ijw h GLU 228 Ca 0.16 -0.53 0.04 0.00 -0.13 0.00 0.00 59.36 58.89 3ijw h GLU 228 Cb 0.16 0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.58 3ijw h GLU 228 CO -0.02 1.15 0.41 0.35 -0.73 0.00 0.00 179.01 180.17 3ijw h PHE 229 N 0.53 0.76 0.00 0.92 3.57 -0.57 -2.65 116.94 119.50 3ijw h PHE 229 Ca -0.02 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3ijw h PHE 229 Cb 1.27 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.77 3ijw h PHE 229 CO 0.07 0.41 0.00 0.93 -2.23 0.00 0.00 178.31 177.49 3ijw h GLU 230 N 0.78 0.00 -0.03 1.11 5.08 -1.02 -0.83 114.58 119.67 3ijw h GLU 230 Ca 0.28 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.65 3ijw h GLU 230 Cb 0.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 3ijw h GLU 230 CO -0.13 0.00 0.06 1.96 -1.00 0.00 0.00 179.01 179.90 3ijw h GLN 231 N 0.00 0.00 0.00 2.33 4.20 -1.40 -1.46 115.11 118.78 3ijw h GLN 231 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3ijw h GLN 231 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 3ijw h GLN 231 CO 0.00 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 179.79 3ijw n LYS 232 N -3.47 0.23 -2.35 1.46 5.02 -0.32 -4.93 118.16 113.80 3ijw n LYS 232 Ca -0.02 0.34 -0.10 0.00 -2.02 0.00 0.00 58.31 56.50 3ijw n LYS 232 Cb 0.14 -1.85 0.00 0.00 -0.02 0.00 0.00 35.03 33.30 3ijw n LYS 232 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ijw n GLY 233 N 0.58 0.02 0.66 0.72 0.00 -0.55 -4.93 105.19 101.69 3ijw n GLY 233 Ca 0.04 -0.42 0.06 0.00 0.00 0.00 0.00 46.02 45.69 3ijw n GLY 233 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ijw n THR 234 N -3.95 0.78 -3.74 2.61 -2.24 -1.26 -4.95 114.28 101.54 3ijw n THR 234 Ca -0.09 -0.89 -0.35 0.00 -2.27 0.00 0.00 64.05 60.44 3ijw n THR 234 Cb 0.58 0.66 -0.08 0.00 -2.10 0.00 0.00 70.33 69.39 3ijw n THR 234 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3ijw s VAL 235 N -1.01 5.35 0.84 2.28 1.01 -1.26 -4.70 120.40 122.90 3ijw s VAL 235 Ca 0.23 0.17 -0.07 0.00 0.00 0.00 0.00 61.98 62.31 3ijw s VAL 235 Cb 0.13 -3.45 0.17 0.00 0.00 0.00 0.00 36.38 33.23 3ijw s VAL 235 CO 0.17 0.43 1.15 -0.89 0.00 0.00 0.00 175.10 175.95 3ijw s THR 236 N 0.49 2.04 -5.00 3.92 2.01 -0.48 -4.93 115.64 113.68 3ijw s THR 236 Ca 0.07 -0.35 0.00 0.00 0.31 0.00 0.00 61.69 61.72 3ijw s THR 236 Cb -0.12 -2.69 0.00 0.00 0.01 0.00 0.00 72.50 69.71 3ijw s THR 236 CO -0.01 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.53 3ijw n GLY 238 N -3.27 0.98 3.75 4.40 0.00 -0.74 -0.90 105.19 109.42 3ijw n GLY 238 Ca 0.16 -1.93 -0.32 0.00 0.00 0.00 0.00 46.02 43.93 3ijw n GLY 238 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ijw s LYS 239 N -1.27 2.91 -0.25 1.61 1.02 -1.26 -0.01 119.74 122.49 3ijw s LYS 239 Ca 0.00 -0.60 0.03 0.00 0.02 0.00 0.00 55.97 55.42 3ijw s LYS 239 Cb 0.00 -2.75 0.05 0.00 -0.52 0.00 0.00 37.83 34.61 3ijw s LYS 239 CO 0.00 0.61 -0.12 0.42 -0.92 0.00 0.00 175.35 175.34 3ijw s ILE 240 N -1.23 2.11 0.00 2.17 1.01 -0.96 -4.81 121.20 119.49 3ijw s ILE 240 Ca 0.24 -1.51 0.00 0.00 0.00 0.00 0.00 60.65 59.38 3ijw s ILE 240 Cb -0.12 -2.18 0.00 0.00 0.01 0.00 0.00 42.46 40.17 3ijw s ILE 240 CO 0.16 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.75 3ijw n GLY 241 N 4.47 3.95 0.16 6.18 0.00 -1.26 -0.78 105.19 117.92 3ijw n GLY 241 Ca -0.15 0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.15 3ijw n GLY 241 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ijw n ASN 242 N 7.41 0.94 -4.73 1.61 3.02 -0.37 -4.95 115.26 118.20 3ijw n ASN 242 Ca 0.00 -0.74 -0.41 0.00 -0.03 0.00 0.00 54.58 53.40 3ijw n ASN 242 Cb 0.00 0.29 -0.04 0.00 -0.61 0.00 0.00 39.78 39.42 3ijw n ASN 242 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ijw s ALA 243 N -2.72 3.23 -0.21 5.41 0.00 0.04 -4.85 121.76 122.67 3ijw s ALA 243 Ca 0.18 0.56 -0.29 0.00 0.00 0.00 0.00 51.96 52.40 3ijw s ALA 243 Cb 0.18 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 3ijw s ALA 243 CO 0.62 -0.06 1.42 0.15 0.00 0.00 0.00 175.76 177.89 3ijw s LYS 244 N 0.17 4.00 0.26 0.00 1.02 -1.26 -2.26 119.74 121.67 3ijw s LYS 244 Ca 0.47 1.58 0.11 0.00 0.02 0.00 0.00 55.97 58.16 3ijw s LYS 244 Cb -0.23 -3.90 -0.05 0.00 -0.52 0.00 0.00 37.83 33.13 3ijw s LYS 244 CO 0.29 -1.02 -0.16 0.00 -0.92 0.00 0.00 175.35 173.54 3ijw s ARG 246 N -3.38 0.04 0.18 0.00 0.52 -0.48 -1.79 118.95 114.04 3ijw s ARG 246 Ca 0.29 0.07 0.10 0.00 -0.52 0.00 0.00 55.73 55.67 3ijw s ARG 246 Cb -0.06 -0.17 -0.04 0.00 0.52 0.00 0.00 34.95 35.20 3ijw s ARG 246 CO 0.15 -0.07 -0.21 -1.17 0.02 0.00 0.00 175.30 174.02 3ijw s LEU 247 N 0.51 2.44 -0.09 2.53 2.96 -0.08 -1.41 118.68 125.54 3ijw s LEU 247 Ca -0.04 -0.86 -0.15 0.00 -0.22 0.00 0.00 54.13 52.85 3ijw s LEU 247 Cb -0.06 -0.99 -0.05 0.00 0.50 0.00 0.00 46.19 45.59 3ijw s LEU 247 CO -0.01 0.04 0.39 -0.54 -1.32 0.00 0.00 176.35 174.91 3ijw s LYS 249 N -2.73 4.16 0.23 1.98 1.02 -1.26 -1.39 119.74 121.75 3ijw s LYS 249 Ca 0.18 0.32 -0.07 0.00 0.02 0.00 0.00 55.97 56.42 3ijw s LYS 249 Cb -0.07 -3.36 0.21 0.00 -0.52 0.00 0.00 37.83 34.09 3ijw s LYS 249 CO 0.08 0.37 1.86 0.37 -0.92 0.00 0.00 175.35 177.11 3ijw h GLN 250 N 6.02 1.23 -0.71 1.68 4.15 -1.20 -2.22 115.11 124.06 3ijw h GLN 250 Ca -0.45 -0.13 0.02 0.00 0.77 0.00 0.00 58.65 58.86 3ijw h GLN 250 Cb 1.19 -0.25 -0.04 0.00 0.21 0.00 0.00 27.48 28.59 3ijw h GLN 250 CO 0.71 0.89 0.47 0.00 -1.93 0.00 0.00 178.83 178.96 3ijw h ARG 251 N 1.24 0.88 0.35 1.69 3.08 -1.89 -0.25 114.38 119.48 3ijw h ARG 251 Ca 0.32 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.30 3ijw h ARG 251 Cb -0.00 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.85 3ijw h ARG 251 CO -0.05 0.58 -0.17 0.22 -1.07 0.00 0.00 179.97 179.48 3ijw h ASP 252 N 0.90 -0.40 0.16 7.04 3.58 -1.78 -0.79 116.42 125.14 3ijw h ASP 252 Ca 0.27 -0.06 -0.17 0.00 0.42 0.00 0.00 57.03 57.49 3ijw h ASP 252 Cb -0.02 0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 3ijw h ASP 252 CO -0.07 -0.18 -0.62 -0.29 -2.88 0.00 0.00 179.24 175.20 3ijw h ILE 253 N -0.60 1.35 -0.46 2.25 6.09 -1.38 -2.26 117.51 122.51 3ijw h ILE 253 Ca -0.05 -1.94 -0.06 0.00 -1.37 0.00 0.00 64.86 61.44 3ijw h ILE 253 Cb 0.44 1.93 -0.02 0.00 0.47 0.00 0.00 36.82 39.64 3ijw h ILE 253 CO 0.08 0.59 0.04 0.58 -3.07 0.00 0.00 178.15 176.37 3ijw h VAL 254 N 0.34 1.25 -0.15 2.19 2.07 -0.92 -1.22 116.25 119.82 3ijw h VAL 254 Ca -0.01 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 3ijw h VAL 254 Cb 1.17 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 3ijw h VAL 254 CO 0.11 0.34 0.06 0.44 0.02 0.00 0.00 177.57 178.53 3ijw h ASP 255 N 0.63 0.20 -0.50 0.57 3.32 -1.13 -1.00 116.42 118.51 3ijw h ASP 255 Ca 0.14 -0.17 0.08 0.00 0.02 0.00 0.00 57.03 57.10 3ijw h ASP 255 Cb 0.43 -0.05 -0.07 0.00 0.22 0.00 0.00 39.33 39.86 3ijw h ASP 255 CO 0.01 0.32 0.12 0.15 -1.72 0.00 0.00 179.24 178.12 3ijw h PHE 256 N 0.08 0.20 -0.62 4.55 3.57 -1.31 -1.87 116.94 121.53 3ijw h PHE 256 Ca 0.05 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.49 3ijw h PHE 256 Cb 0.18 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 3ijw h PHE 256 CO -0.01 0.02 0.04 0.78 -2.23 0.00 0.00 178.31 176.91 3ijw h GLY 257 N 0.27 1.16 0.93 2.40 0.00 -0.97 0.79 103.07 107.65 3ijw h GLY 257 Ca 0.25 -0.83 0.01 0.00 0.00 0.00 0.00 47.33 46.77 3ijw h GLY 257 CO -0.31 0.76 0.18 -0.84 0.00 0.00 0.00 176.54 176.33 3ijw h THR 258 N 0.98 1.04 -0.47 4.70 2.02 -0.91 -1.52 112.91 118.74 3ijw h THR 258 Ca 0.18 -0.13 -0.13 0.00 0.77 0.00 0.00 66.41 67.10 3ijw h THR 258 Cb 0.52 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 3ijw h THR 258 CO 0.02 0.07 -0.22 -0.33 0.37 0.00 0.00 175.52 175.44 3ijw h GLU 259 N 0.37 0.97 -0.09 6.66 4.39 -1.04 -1.86 114.58 123.98 3ijw h GLU 259 Ca 0.12 -0.41 0.02 0.00 0.34 0.00 0.00 59.36 59.43 3ijw h GLU 259 Cb -0.00 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 3ijw h GLU 259 CO -0.05 1.08 -0.05 2.35 -1.16 0.00 0.00 179.01 181.18 3ijw h TRP 260 N 0.84 -0.13 -0.54 4.33 7.01 -0.62 -1.18 115.95 125.67 3ijw h TRP 260 Ca 0.11 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.10 3ijw h TRP 260 Cb 0.79 0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.89 3ijw h TRP 260 CO 0.05 -0.09 0.27 0.74 -2.79 0.00 0.00 178.44 176.63 3ijw h PHE 261 N -0.05 0.77 -0.50 2.65 0.04 -1.20 -2.99 116.94 115.67 3ijw h PHE 261 Ca 0.06 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 3ijw h PHE 261 Cb 0.13 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.02 3ijw h PHE 261 CO -0.17 0.59 0.18 0.00 -0.60 0.00 0.00 178.31 178.30 3ijw h ARG 262 N 0.73 0.72 0.00 1.51 3.08 -1.08 0.12 114.38 119.46 3ijw h ARG 262 Ca 0.19 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3ijw h ARG 262 Cb 0.09 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.02 3ijw h ARG 262 CO -0.03 0.61 0.00 1.63 -1.07 0.00 0.00 179.97 181.12 3ijw n LYS 263 N -4.33 0.05 -0.96 0.04 5.02 -0.47 -5.10 118.16 112.41 3ijw n LYS 263 Ca 0.04 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 3ijw n LYS 263 Cb 0.17 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 3ijw n LYS 263 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51