#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ppw s LYS 2 N 0.00 0.48 -0.08 0.00 1.02 -1.26 -4.64 119.74 115.26 2ppw s LYS 2 Ca 0.00 1.09 0.01 0.00 0.02 0.00 0.00 55.97 57.10 2ppw s LYS 2 Cb 0.00 0.30 -0.02 0.00 -0.52 0.00 0.00 37.83 37.58 2ppw s LYS 2 CO 0.00 -0.19 -0.11 0.42 -0.92 0.00 0.00 175.35 174.54 2ppw s ILE 3 N 2.11 3.28 -0.07 2.17 -1.09 0.66 -0.08 121.20 128.19 2ppw s ILE 3 Ca -0.07 -0.62 -0.00 0.00 -2.23 0.00 0.00 60.65 57.73 2ppw s ILE 3 Cb -0.09 -2.33 -0.03 0.00 -1.58 0.00 0.00 42.46 38.42 2ppw s ILE 3 CO -0.16 0.57 -0.04 0.00 -1.23 0.00 0.00 174.94 174.09 2ppw s ALA 4 N -0.41 3.13 -0.16 9.38 0.00 0.47 -0.37 121.76 133.80 2ppw s ALA 4 Ca 0.05 -0.87 -0.04 0.00 0.00 0.00 0.00 51.96 51.11 2ppw s ALA 4 Cb -0.12 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 2ppw s ALA 4 CO 0.02 0.59 -0.04 -1.17 0.00 0.00 0.00 175.76 175.16 2ppw s LEU 5 N -0.93 3.20 -0.23 0.00 2.96 0.11 0.10 118.68 123.90 2ppw s LEU 5 Ca 0.14 -0.16 -0.01 0.00 -0.22 0.00 0.00 54.13 53.87 2ppw s LEU 5 Cb -0.11 -1.78 0.07 0.00 0.50 0.00 0.00 46.19 44.87 2ppw s LEU 5 CO 0.03 0.15 0.02 -0.63 -1.32 0.00 0.00 176.35 174.60 2ppw s ILE 6 N 0.49 0.88 -0.03 6.68 1.01 -0.28 -0.76 121.20 129.19 2ppw s ILE 6 Ca -0.03 -0.91 -0.07 0.00 0.00 0.00 0.00 60.65 59.64 2ppw s ILE 6 Cb -0.14 -1.37 -0.05 0.00 0.01 0.00 0.00 42.46 40.91 2ppw s ILE 6 CO 0.03 -0.27 0.24 0.20 0.00 0.00 0.00 174.94 175.14 2ppw s ASN 7 N 1.68 6.48 0.42 3.58 0.01 -1.26 -4.06 114.94 121.78 2ppw s ASN 7 Ca -0.00 0.54 0.01 0.00 -0.71 0.00 0.00 52.86 52.70 2ppw s ASN 7 Cb -0.18 -2.09 0.05 0.00 0.41 0.00 0.00 41.25 39.45 2ppw s ASN 7 CO -0.11 0.30 0.34 -1.84 -1.51 0.00 0.00 177.10 174.29 2ppw n GLU 8 N 1.36 0.51 -0.06 -0.60 -0.00 -1.26 -4.71 120.64 115.87 2ppw n GLU 8 Ca -0.14 -1.04 -0.08 0.00 -0.00 0.00 0.00 57.16 55.90 2ppw n GLU 8 Cb 0.53 -0.20 -0.02 0.00 -0.00 0.00 0.00 31.44 31.76 2ppw n GLU 8 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 2ppw h ASN 9 N -0.14 -0.91 0.10 -1.84 -0.26 -1.03 -2.17 115.58 109.32 2ppw h ASN 9 Ca -0.11 0.16 -0.04 0.00 -0.56 0.00 0.00 56.30 55.75 2ppw h ASN 9 Cb 0.45 0.42 -0.01 0.00 -1.06 0.00 0.00 38.32 38.13 2ppw h ASN 9 CO 0.13 -0.31 -0.13 0.77 -1.06 0.00 0.00 177.43 176.83 2ppw h SER 10 N -0.27 0.09 -0.17 5.81 4.64 -1.96 -3.10 113.55 118.59 2ppw h SER 10 Ca 0.14 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2ppw h SER 10 Cb 0.50 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2ppw h SER 10 CO -0.43 0.24 0.00 0.00 -0.87 0.00 0.00 176.83 175.76 2ppw n GLN 11 N -4.33 2.14 -0.21 4.77 1.13 -1.17 -4.67 117.38 115.05 2ppw n GLN 11 Ca -0.02 -1.62 0.14 0.00 -1.94 0.00 0.00 57.00 53.57 2ppw n GLN 11 Cb 0.23 -1.17 0.45 0.00 0.11 0.00 0.00 30.24 29.87 2ppw n GLN 11 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2ppw h ALA 12 N 1.36 2.00 0.00 -1.58 0.00 -1.31 -0.16 119.26 119.58 2ppw h ALA 12 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2ppw h ALA 12 Cb 0.56 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2ppw h ALA 12 CO 0.00 -0.23 0.00 -1.13 0.00 0.00 0.00 179.25 177.89 2ppw n SER 13 N -4.51 0.24 -0.60 0.00 3.41 -1.26 -1.48 113.62 109.41 2ppw n SER 13 Ca 0.16 0.57 0.11 0.00 -0.26 0.00 0.00 58.87 59.45 2ppw n SER 13 Cb 0.51 -0.62 0.02 0.00 -0.26 0.00 0.00 64.21 63.87 2ppw n SER 13 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2ppw n LYS 14 N -1.77 1.54 -0.21 4.33 5.02 -0.08 -4.62 118.16 122.36 2ppw n LYS 14 Ca 0.02 -1.22 0.02 0.00 -2.02 0.00 0.00 58.31 55.11 2ppw n LYS 14 Cb 0.14 -1.44 0.13 0.00 -0.02 0.00 0.00 35.03 33.84 2ppw n LYS 14 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 2ppw h ASN 15 N 2.93 0.12 -0.55 4.39 -0.73 -1.24 -1.50 115.58 119.01 2ppw h ASN 15 Ca 0.00 0.10 0.09 0.00 1.87 0.00 0.00 56.30 58.36 2ppw h ASN 15 Cb 0.79 0.12 -0.07 0.00 0.27 0.00 0.00 38.32 39.42 2ppw h ASN 15 CO 0.00 0.06 0.17 1.12 -0.37 0.00 0.00 177.43 178.41 2ppw h HIS 16 N 0.33 0.28 -0.12 0.67 2.07 -1.80 0.44 115.15 117.03 2ppw h HIS 16 Ca 0.34 0.03 -0.01 0.00 -2.85 0.00 0.00 60.37 57.88 2ppw h HIS 16 Cb 0.48 -0.04 -0.01 0.00 2.57 0.00 0.00 27.41 30.41 2ppw h HIS 16 CO -0.21 0.05 0.05 0.82 -3.07 0.00 0.00 177.93 175.58 2ppw h ILE 17 N 0.33 1.14 -0.53 6.12 2.04 -1.71 -0.65 117.51 124.24 2ppw h ILE 17 Ca 0.27 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 2ppw h ILE 17 Cb 0.34 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 2ppw h ILE 17 CO -0.31 0.13 0.22 0.40 0.00 0.00 0.00 178.15 178.59 2ppw h ILE 18 N 0.05 1.22 0.07 -0.67 2.04 -0.67 -1.38 117.51 118.17 2ppw h ILE 18 Ca 0.04 -0.67 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 2ppw h ILE 18 Cb 0.15 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 2ppw h ILE 18 CO -0.00 0.26 -0.04 0.22 0.00 0.00 0.00 178.15 178.59 2ppw h TYR 19 N 0.72 -0.09 -0.82 1.37 3.20 -0.10 0.70 116.97 121.95 2ppw h TYR 19 Ca 0.18 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.14 2ppw h TYR 19 Cb 0.19 0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.42 2ppw h TYR 19 CO 0.01 0.03 0.46 -0.44 -1.64 0.00 0.00 178.16 176.58 2ppw h ASP 20 N -0.20 0.66 -0.20 -2.11 3.32 -0.96 0.39 116.42 117.32 2ppw h ASP 20 Ca -0.01 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 2ppw h ASP 20 Cb 0.17 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2ppw h ASP 20 CO 0.02 0.37 -0.02 0.28 -1.72 0.00 0.00 179.24 178.17 2ppw h SER 21 N 0.77 0.36 -0.25 6.45 0.02 -1.05 -2.60 113.55 117.25 2ppw h SER 21 Ca 0.40 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 2ppw h SER 21 Cb 0.37 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 2ppw h SER 21 CO -0.25 0.60 0.13 0.25 -1.14 0.00 0.00 176.83 176.42 2ppw h LEU 22 N 0.11 0.33 -1.41 5.07 5.85 -0.34 -3.00 115.31 121.91 2ppw h LEU 22 Ca 0.05 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.68 2ppw h LEU 22 Cb 0.43 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 2ppw h LEU 22 CO 0.01 0.34 0.41 0.50 -0.34 0.00 0.00 178.44 179.36 2ppw h LYS 23 N 0.29 0.78 -0.54 1.25 1.63 -0.24 0.11 116.57 119.85 2ppw h LYS 23 Ca 0.09 -0.05 0.03 0.00 -0.85 0.00 0.00 60.65 59.87 2ppw h LYS 23 Cb 0.09 -0.18 -0.04 0.00 -0.60 0.00 0.00 32.23 31.51 2ppw h LYS 23 CO -0.01 0.52 0.32 1.49 -3.45 0.00 0.00 179.45 178.31 2ppw h GLU 24 N 0.80 0.61 -0.16 1.90 4.81 -1.32 0.11 114.58 121.33 2ppw h GLU 24 Ca 0.23 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.31 2ppw h GLU 24 Cb -0.05 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.19 2ppw h GLU 24 CO -0.05 0.40 -0.32 0.00 -0.73 0.00 0.00 179.01 178.30 2ppw h ALA 25 N 1.24 0.26 -0.57 2.92 0.00 -1.18 -2.55 119.26 119.38 2ppw h ALA 25 Ca 0.22 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 2ppw h ALA 25 Cb 0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2ppw h ALA 25 CO -0.10 0.30 -0.05 1.79 0.00 0.00 0.00 179.25 181.19 2ppw h THR 26 N 0.15 1.27 -0.51 0.00 1.35 -0.92 -2.46 112.91 111.78 2ppw h THR 26 Ca 0.01 -1.20 0.06 0.00 -0.55 0.00 0.00 66.41 64.72 2ppw h THR 26 Cb 0.92 0.88 -0.05 0.00 -1.73 0.00 0.00 68.15 68.17 2ppw h THR 26 CO 0.07 0.43 0.23 0.44 -0.25 0.00 0.00 175.52 176.44 2ppw h ASP 27 N 0.94 0.29 -0.75 5.36 3.32 -0.83 0.15 116.42 124.89 2ppw h ASP 27 Ca 0.16 0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.30 2ppw h ASP 27 Cb 0.61 -0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.10 2ppw h ASP 27 CO 0.04 0.20 0.45 0.50 -1.72 0.00 0.00 179.24 178.71 2ppw h LYS 28 N 0.44 0.81 0.00 3.56 3.64 -1.22 -2.03 116.57 121.77 2ppw h LYS 28 Ca 0.24 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2ppw h LYS 28 Cb 0.20 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2ppw h LYS 28 CO -0.20 0.54 -0.01 1.63 -2.27 0.00 0.00 179.45 179.14 2ppw n LYS 29 N -4.69 0.18 -1.10 1.90 4.76 -0.95 -4.92 118.16 113.33 2ppw n LYS 29 Ca 0.10 0.14 0.00 0.00 -2.87 0.00 0.00 58.31 55.68 2ppw n LYS 29 Cb 0.15 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 31.64 2ppw n LYS 29 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ppw n GLY 30 N 1.37 0.39 3.87 0.72 0.00 -0.18 -5.06 105.19 106.30 2ppw n GLY 30 Ca 0.06 -1.07 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 2ppw n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ppw s TYR 31 N -2.00 3.53 -0.11 1.61 2.02 0.34 -4.95 117.35 117.79 2ppw s TYR 31 Ca 0.00 1.14 -0.16 0.00 -0.37 0.00 0.00 57.07 57.69 2ppw s TYR 31 Cb 0.00 -2.56 -0.05 0.00 -0.40 0.00 0.00 41.96 38.96 2ppw s TYR 31 CO 0.00 -0.36 0.39 -0.65 -1.57 0.00 0.00 175.55 173.36 2ppw s GLN 32 N -4.47 4.20 -0.12 -0.62 -0.21 -1.26 -4.46 119.66 112.72 2ppw s GLN 32 Ca 0.53 0.31 -0.01 0.00 0.02 0.00 0.00 55.36 56.22 2ppw s GLN 32 Cb -0.10 -3.38 -0.02 0.00 1.00 0.00 0.00 33.01 30.51 2ppw s GLN 32 CO 0.41 0.32 -0.10 -1.17 -2.12 0.00 0.00 175.29 172.62 2ppw s LEU 33 N 0.16 2.90 -0.18 2.90 2.96 -1.26 -0.24 118.68 125.91 2ppw s LEU 33 Ca 0.22 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 53.91 2ppw s LEU 33 Cb -0.15 -1.66 0.02 0.00 0.50 0.00 0.00 46.19 44.91 2ppw s LEU 33 CO 0.09 0.20 -0.19 -0.36 -1.32 0.00 0.00 176.35 174.77 2ppw s PHE 34 N 0.13 2.79 -0.84 5.38 0.08 0.51 -4.96 117.98 121.05 2ppw s PHE 34 Ca -0.05 -1.60 -0.20 0.00 0.12 0.00 0.00 56.93 55.20 2ppw s PHE 34 Cb -0.14 -1.93 0.10 0.00 -0.57 0.00 0.00 43.02 40.48 2ppw s PHE 34 CO 0.04 -0.79 1.09 1.21 -0.10 0.00 0.00 175.22 176.67 2ppw s ASN 35 N 1.29 6.46 0.07 1.36 2.47 -1.26 -0.71 114.94 124.61 2ppw s ASN 35 Ca 0.05 -1.64 0.20 0.00 0.42 0.00 0.00 52.86 51.89 2ppw s ASN 35 Cb -0.13 -2.42 -0.15 0.00 -1.45 0.00 0.00 41.25 37.11 2ppw s ASN 35 CO -0.12 -1.22 0.75 -1.22 -3.72 0.00 0.00 177.10 171.57 2ppw n TYR 36 N 7.10 0.66 0.00 0.43 4.02 0.06 -4.88 117.16 124.56 2ppw n TYR 36 Ca 0.15 0.20 0.00 0.00 -0.01 0.00 0.00 57.90 58.24 2ppw n TYR 36 Cb 0.48 -0.89 0.00 0.00 -0.02 0.00 0.00 39.34 38.90 2ppw n TYR 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2ppw n GLY 37 N 1.32 -0.42 0.00 2.72 0.00 -1.04 -4.39 105.19 103.37 2ppw n GLY 37 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2ppw n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ppw n ARG 39 N -1.87 0.00 -1.84 1.61 1.74 -1.26 -4.79 116.66 110.26 2ppw n ARG 39 Ca 0.00 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.04 2ppw n ARG 39 Cb 0.00 -0.03 -0.01 0.00 -1.02 0.00 0.00 32.46 31.40 2ppw n ARG 39 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ppw n GLY 40 N 0.00 0.32 3.77 -0.13 0.00 -1.12 -4.52 105.19 103.51 2ppw n GLY 40 Ca 0.00 -0.75 -0.37 0.00 0.00 0.00 0.00 46.02 44.91 2ppw n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ppw s GLU 41 N -3.74 4.07 0.25 1.61 2.02 -1.26 -4.82 118.70 116.83 2ppw s GLU 41 Ca 0.00 0.07 -0.31 0.00 0.02 0.00 0.00 54.97 54.75 2ppw s GLU 41 Cb 0.00 -3.36 -0.13 0.00 0.10 0.00 0.00 34.13 30.74 2ppw s GLU 41 CO 0.00 0.40 1.50 0.39 0.02 0.00 0.00 175.26 177.57 2ppw n GLU 42 N 3.07 2.32 -0.99 1.61 1.02 -1.26 -2.43 120.64 123.98 2ppw n GLU 42 Ca -0.14 0.83 0.00 0.00 -0.02 0.00 0.00 57.16 57.83 2ppw n GLU 42 Cb 0.52 -2.55 0.00 0.00 -0.02 0.00 0.00 31.44 29.40 2ppw n GLU 42 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ppw n GLY 43 N 2.32 0.57 3.83 0.62 0.00 -1.26 -5.03 105.19 106.24 2ppw n GLY 43 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 2ppw n GLY 43 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ppw s GLU 44 N -0.13 2.80 0.18 1.61 -1.05 -1.02 -4.98 118.70 116.11 2ppw s GLU 44 Ca 0.00 0.83 -0.32 0.00 -0.15 0.00 0.00 54.97 55.33 2ppw s GLU 44 Cb 0.00 -1.98 -0.11 0.00 -0.44 0.00 0.00 34.13 31.60 2ppw s GLU 44 CO 0.00 -1.16 1.69 0.45 0.95 0.00 0.00 175.26 177.18 2ppw s SER 45 N -3.90 6.45 0.30 0.83 0.15 -1.26 -4.99 113.70 111.29 2ppw s SER 45 Ca 0.58 2.77 -0.13 0.00 0.70 0.00 0.00 55.95 59.88 2ppw s SER 45 Cb -0.14 -2.59 -0.08 0.00 -1.71 0.00 0.00 66.02 61.50 2ppw s SER 45 CO 0.55 -0.93 0.68 -1.10 1.20 0.00 0.00 173.24 173.63 2ppw s GLN 46 N 1.39 3.92 -0.04 5.44 -0.21 -1.26 -4.97 119.66 123.93 2ppw s GLN 46 Ca 0.74 0.52 -0.02 0.00 0.02 0.00 0.00 55.36 56.63 2ppw s GLN 46 Cb -0.47 -2.50 0.03 0.00 1.00 0.00 0.00 33.01 31.07 2ppw s GLN 46 CO 0.32 0.19 0.08 -0.51 -2.12 0.00 0.00 175.29 173.25 2ppw s LEU 47 N -3.00 1.14 0.56 2.90 1.43 -1.26 -4.81 118.68 115.64 2ppw s LEU 47 Ca 0.52 0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.78 2ppw s LEU 47 Cb -0.10 0.15 0.04 0.00 0.03 0.00 0.00 46.19 46.30 2ppw s LEU 47 CO 0.20 -0.11 0.79 0.42 0.23 0.00 0.00 176.35 177.88 2ppw s THR 48 N 0.82 2.64 0.47 5.49 -4.23 -1.26 -0.35 115.64 119.22 2ppw s THR 48 Ca -0.07 -0.65 0.28 0.00 -1.18 0.00 0.00 61.69 60.07 2ppw s THR 48 Cb -0.09 -2.99 0.31 0.00 1.34 0.00 0.00 72.50 71.07 2ppw s THR 48 CO -0.03 0.00 2.13 0.10 -0.54 0.00 0.00 174.62 176.28 2ppw h TYR 49 N 0.04 0.00 -0.15 3.99 -0.00 -1.94 -1.34 116.97 117.57 2ppw h TYR 49 Ca -0.42 0.00 -0.16 0.00 0.00 0.00 0.00 58.73 58.15 2ppw h TYR 49 Cb 1.30 0.00 0.01 0.00 0.00 0.00 0.00 36.73 38.03 2ppw h TYR 49 CO 0.36 0.08 -0.53 0.28 -0.00 0.00 0.00 178.16 178.35 2ppw h VAL 50 N 0.00 1.33 -0.11 -0.90 2.07 -1.94 -2.93 116.25 113.77 2ppw h VAL 50 Ca -0.00 -1.79 -0.04 0.00 0.82 0.00 0.00 66.70 65.68 2ppw h VAL 50 Cb 0.23 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 2ppw h VAL 50 CO 0.01 0.55 -0.13 1.56 0.02 0.00 0.00 177.57 179.59 2ppw h GLN 51 N 0.28 0.17 -0.71 1.57 4.20 -1.79 -1.91 115.11 116.93 2ppw h GLN 51 Ca -0.02 -0.04 0.12 0.00 0.06 0.00 0.00 58.65 58.77 2ppw h GLN 51 Cb 1.16 -0.03 -0.09 0.00 0.30 0.00 0.00 27.48 28.82 2ppw h GLN 51 CO 0.11 0.31 0.28 -0.91 -0.67 0.00 0.00 178.83 177.95 2ppw h ASN 52 N 0.17 0.27 -0.15 1.46 4.21 -1.09 -2.68 115.58 117.77 2ppw h ASN 52 Ca 0.03 0.10 -0.01 0.00 1.21 0.00 0.00 56.30 57.63 2ppw h ASN 52 Cb 0.33 0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.60 2ppw h ASN 52 CO 0.02 0.13 0.06 1.23 -1.29 0.00 0.00 177.43 177.58 2ppw h GLY 53 N 0.45 0.24 -1.14 2.83 0.00 -1.21 -1.02 103.07 103.22 2ppw h GLY 53 Ca 0.37 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.58 2ppw h GLY 53 CO -0.36 0.12 0.00 -0.10 0.00 0.00 0.00 176.54 176.20 2ppw n LEU 54 N -4.88 0.00 0.00 3.11 7.94 -1.01 -0.82 117.00 121.34 2ppw n LEU 54 Ca -0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.85 2ppw n LEU 54 Cb 0.11 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.06 2ppw n LEU 54 CO 0.35 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.63 2ppw n ALA 56 N 0.50 0.00 -0.25 1.96 0.00 -0.39 -1.52 120.51 120.81 2ppw n ALA 56 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 2ppw n ALA 56 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 2ppw n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ppw h ALA 57 N 0.00 0.90 -0.09 0.00 0.00 -1.23 0.51 119.26 119.35 2ppw h ALA 57 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2ppw h ALA 57 Cb 0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 2ppw h ALA 57 CO 0.00 0.42 0.02 0.82 0.00 0.00 0.00 179.25 180.51 2ppw h ILE 58 N 0.96 1.19 -0.45 0.00 2.04 -1.53 -1.96 117.51 117.76 2ppw h ILE 58 Ca 0.25 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 2ppw h ILE 58 Cb 0.05 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 2ppw h ILE 58 CO -0.04 0.16 0.22 -0.07 0.00 0.00 0.00 178.15 178.43 2ppw h LEU 59 N -0.06 0.59 -0.08 1.44 3.38 -1.78 -2.73 115.31 116.06 2ppw h LEU 59 Ca 0.03 -0.12 -0.15 0.00 0.09 0.00 0.00 57.88 57.73 2ppw h LEU 59 Cb 0.24 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.84 2ppw h LEU 59 CO -0.00 0.54 -0.53 -0.07 0.09 0.00 0.00 178.44 178.47 2ppw h LEU 60 N 0.59 0.60 -1.17 1.67 3.38 -0.92 -1.13 115.31 118.33 2ppw h LEU 60 Ca 0.16 -0.67 -0.08 0.00 0.09 0.00 0.00 57.88 57.37 2ppw h LEU 60 Cb 0.11 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2ppw h LEU 60 CO -0.02 1.18 -0.40 0.78 0.09 0.00 0.00 178.44 180.07 2ppw h ASN 61 N 0.07 0.00 0.22 -0.43 2.35 -1.40 -2.56 115.58 113.83 2ppw h ASN 61 Ca -0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 2ppw h ASN 61 Cb 1.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.56 2ppw h ASN 61 CO 0.11 0.40 -0.21 0.35 -1.65 0.00 0.00 177.43 176.43 2ppw n THR 62 N -3.95 0.00 -1.23 2.81 -2.24 -1.03 -4.93 114.28 103.71 2ppw n THR 62 Ca -0.02 -0.14 -0.08 0.00 -2.27 0.00 0.00 64.05 61.55 2ppw n THR 62 Cb 0.45 0.37 -0.03 0.00 -2.10 0.00 0.00 70.33 69.01 2ppw n THR 62 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2ppw n LYS 63 N -0.57 -1.01 -0.32 -0.78 5.02 -0.96 -0.81 118.16 118.72 2ppw n LYS 63 Ca 0.13 0.70 0.08 0.00 -2.02 0.00 0.00 58.31 57.20 2ppw n LYS 63 Cb 0.34 -4.69 0.25 0.00 -0.02 0.00 0.00 35.03 30.91 2ppw n LYS 63 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ppw h ALA 64 N 0.00 1.41 -2.20 7.82 0.00 -1.33 -3.43 119.26 121.54 2ppw h ALA 64 Ca -0.16 0.07 -0.38 0.00 0.00 0.00 0.00 54.91 54.44 2ppw h ALA 64 Cb 0.74 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.32 2ppw h ALA 64 CO 0.23 -0.01 -0.65 0.14 0.00 0.00 0.00 179.25 178.97 2ppw s VAL 65 N -5.94 0.98 -0.12 0.00 -7.23 -1.10 -4.84 120.40 102.14 2ppw s VAL 65 Ca -0.12 -2.02 0.19 0.00 -1.81 0.00 0.00 61.98 58.22 2ppw s VAL 65 Cb 0.22 -2.42 -0.28 0.00 0.56 0.00 0.00 36.38 34.47 2ppw s VAL 65 CO 0.79 -0.25 0.24 0.47 -0.31 0.00 0.00 175.10 176.03 2ppw n ASP 66 N -0.45 0.25 -3.79 4.85 8.00 0.88 -4.43 116.55 121.87 2ppw n ASP 66 Ca -0.04 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.33 2ppw n ASP 66 Cb 0.64 1.40 -0.13 0.00 -0.02 0.00 0.00 41.12 43.02 2ppw n ASP 66 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2ppw s PHE 67 N -2.90 -0.18 -0.14 1.24 5.36 -0.91 -4.79 117.98 115.66 2ppw s PHE 67 Ca -0.09 0.47 -0.00 0.00 -0.96 0.00 0.00 56.93 56.35 2ppw s PHE 67 Cb 0.09 0.02 -0.01 0.00 -0.34 0.00 0.00 43.02 42.78 2ppw s PHE 67 CO 0.82 -0.12 -0.13 0.08 -1.46 0.00 0.00 175.22 174.41 2ppw s VAL 68 N 0.46 2.97 -0.17 3.12 1.01 -0.04 -0.40 120.40 127.34 2ppw s VAL 68 Ca -0.03 -0.68 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 2ppw s VAL 68 Cb -0.05 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 2ppw s VAL 68 CO -0.02 0.52 0.06 -0.69 0.00 0.00 0.00 175.10 174.96 2ppw s VAL 69 N 0.54 4.77 0.00 2.92 1.01 0.11 -1.13 120.40 128.62 2ppw s VAL 69 Ca -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.85 2ppw s VAL 69 Cb -0.16 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.09 2ppw s VAL 69 CO 0.04 0.47 0.00 1.07 0.00 0.00 0.00 175.10 176.68 2ppw n THR 70 N 3.41 0.00 -2.99 3.92 5.66 -0.22 -1.13 114.28 122.94 2ppw n THR 70 Ca -0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 2ppw n THR 70 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 2ppw n THR 70 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2ppw n GLY 71 N 0.00 -0.71 0.00 1.09 0.00 -1.26 -2.08 105.19 102.24 2ppw n GLY 71 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.63 2ppw n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ppw h GLY 73 N 0.00 0.50 0.00 0.00 0.00 -1.92 0.64 103.07 102.29 2ppw h GLY 73 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2ppw h GLY 73 CO 0.00 -0.14 -1.16 -1.30 0.00 0.00 0.00 176.54 173.93 2ppw n THR 74 N -5.24 0.00 0.00 4.70 -2.24 -1.26 -1.27 114.28 108.96 2ppw n THR 74 Ca 0.05 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2ppw n THR 74 Cb 0.27 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 2ppw n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ppw n GLY 75 N 1.57 2.43 0.09 3.38 0.00 -1.20 -3.75 105.19 107.70 2ppw n GLY 75 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2ppw n GLY 75 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2ppw h VAL 76 N 0.00 1.35 -0.03 1.61 2.07 -1.91 -3.30 116.25 116.05 2ppw h VAL 76 Ca 0.00 -1.14 0.03 0.00 0.82 0.00 0.00 66.70 66.41 2ppw h VAL 76 Cb 0.00 1.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 2ppw h VAL 76 CO 0.00 0.31 -0.17 1.23 0.02 0.00 0.00 177.57 178.97 2ppw h GLY 77 N -0.27 -0.20 -1.58 2.17 0.00 -1.96 0.00 103.07 101.23 2ppw h GLY 77 Ca 0.01 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.54 2ppw h GLY 77 CO 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 176.54 176.39 2ppw n ALA 78 N -2.52 1.09 0.00 3.60 0.00 -1.24 -1.66 120.51 119.77 2ppw n ALA 78 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2ppw n ALA 78 Cb 0.22 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.80 2ppw n ALA 78 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ppw n LEU 80 N 0.69 0.00 -0.04 0.00 4.77 -0.01 -0.66 117.00 121.74 2ppw n LEU 80 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 2ppw n LEU 80 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 2ppw n LEU 80 CO 0.00 0.00 0.67 0.00 -1.33 0.00 0.00 177.39 176.73 2ppw h ALA 81 N 0.00 0.15 -0.88 -1.18 0.00 -1.58 -3.13 119.26 112.65 2ppw h ALA 81 Ca 0.00 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.67 2ppw h ALA 81 Cb 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2ppw h ALA 81 CO 0.00 -0.07 0.58 -0.07 0.00 0.00 0.00 179.25 179.69 2ppw h LEU 82 N -0.12 1.00 -0.41 0.00 4.07 -1.16 -2.48 115.31 116.20 2ppw h LEU 82 Ca 0.02 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2ppw h LEU 82 Cb 0.51 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.00 2ppw h LEU 82 CO 0.02 0.72 0.00 0.59 -1.08 0.00 0.00 178.44 178.68 2ppw n ASN 83 N -4.48 0.41 0.00 -0.43 4.13 -1.22 -2.59 115.26 111.08 2ppw n ASN 83 Ca 0.10 0.60 0.13 0.00 1.68 0.00 0.00 54.58 57.08 2ppw n ASN 83 Cb 0.03 -0.69 0.62 0.00 -1.54 0.00 0.00 39.78 38.19 2ppw n ASN 83 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2ppw n SER 84 N -1.95 0.00 -4.76 6.41 7.64 -0.93 -4.86 113.62 115.16 2ppw n SER 84 Ca 0.03 0.14 -0.31 0.00 1.01 0.00 0.00 58.87 59.74 2ppw n SER 84 Cb 0.21 -0.37 -0.07 0.00 -1.01 0.00 0.00 64.21 62.97 2ppw n SER 84 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2ppw s PHE 85 N -2.74 3.17 0.37 1.43 0.08 -1.07 -4.96 117.98 114.25 2ppw s PHE 85 Ca 0.20 0.07 -0.28 0.00 0.12 0.00 0.00 56.93 57.04 2ppw s PHE 85 Cb 0.17 -1.62 -0.11 0.00 -0.57 0.00 0.00 43.02 40.89 2ppw s PHE 85 CO 0.43 0.52 1.46 -0.35 -0.10 0.00 0.00 175.22 177.17 2ppw n PRO 86 N 0.54 2.57 -0.98 0.24 -0.04 -1.26 -3.15 135.00 132.93 2ppw n PRO 86 Ca -0.09 0.90 0.00 0.00 -0.04 0.00 0.00 63.50 64.27 2ppw n PRO 86 Cb 0.52 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 2ppw n PRO 86 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ppw n GLY 87 N 0.58 0.40 3.15 0.55 0.00 -1.26 -4.88 105.19 103.72 2ppw n GLY 87 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 2ppw n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ppw s VAL 88 N -1.90 2.05 -0.28 1.61 1.01 -1.19 -4.77 120.40 116.93 2ppw s VAL 88 Ca 0.00 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.05 2ppw s VAL 88 Cb 0.00 -1.83 0.08 0.00 0.00 0.00 0.00 36.38 34.63 2ppw s VAL 88 CO 0.00 0.54 -0.02 -0.69 0.00 0.00 0.00 175.10 174.93 2ppw s VAL 89 N 1.03 1.87 -0.24 2.92 1.01 -1.26 -4.53 120.40 121.19 2ppw s VAL 89 Ca -0.02 -1.71 -0.01 0.00 0.00 0.00 0.00 61.98 60.24 2ppw s VAL 89 Cb -0.14 -2.19 0.02 0.00 0.00 0.00 0.00 36.38 34.07 2ppw s VAL 89 CO -0.07 -0.30 -0.08 0.00 0.00 0.00 0.00 175.10 174.66 2ppw s GLY 91 N 1.32 1.71 -0.04 0.00 0.00 -0.55 -4.84 107.32 104.91 2ppw s GLY 91 Ca 0.01 -0.99 0.03 0.00 0.00 0.00 0.00 44.72 43.76 2ppw s GLY 91 CO -0.05 -0.32 -0.11 -2.27 0.00 0.00 0.00 173.10 170.34 2ppw s LEU 92 N -5.81 1.72 -0.00 0.66 2.96 -1.26 -0.87 118.68 116.07 2ppw s LEU 92 Ca 0.70 -0.25 0.02 0.00 -0.22 0.00 0.00 54.13 54.38 2ppw s LEU 92 Cb -0.07 -0.70 -0.00 0.00 0.50 0.00 0.00 46.19 45.92 2ppw s LEU 92 CO 0.52 0.06 -0.06 0.00 -1.32 0.00 0.00 176.35 175.55 2ppw s ALA 93 N 0.39 0.48 -0.01 5.97 0.00 -0.89 -4.97 121.76 122.72 2ppw s ALA 93 Ca -0.08 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 51.64 2ppw s ALA 93 Cb -0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.87 2ppw s ALA 93 CO 0.02 0.12 0.02 1.33 0.00 0.00 0.00 175.76 177.24 2ppw n VAL 94 N 2.92 0.00 -4.30 0.00 0.24 -1.26 -4.29 118.33 111.65 2ppw n VAL 94 Ca -0.13 -0.08 -0.16 0.00 -2.04 0.00 0.00 64.34 61.93 2ppw n VAL 94 Cb 0.58 0.56 -0.10 0.00 -1.47 0.00 0.00 33.84 33.40 2ppw n VAL 94 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 2ppw s ASP 95 N -1.94 1.17 0.30 -1.34 1.47 -1.26 -5.03 116.67 110.04 2ppw s ASP 95 Ca -0.00 -1.33 -0.01 0.00 1.18 0.00 0.00 52.55 52.38 2ppw s ASP 95 Cb 0.01 0.16 0.46 0.00 -0.34 0.00 0.00 42.92 43.20 2ppw s ASP 95 CO 0.03 -0.69 1.95 -0.65 0.68 0.00 0.00 175.17 176.49 2ppw h PRO 96 N 2.46 1.07 -0.74 2.11 0.11 -1.89 -2.37 132.00 132.76 2ppw h PRO 96 Ca -0.38 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 2ppw h PRO 96 Cb 1.24 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 2ppw h PRO 96 CO 0.61 0.71 0.22 1.15 -0.21 0.00 0.00 178.00 180.48 2ppw h THR 97 N 1.11 1.26 -0.67 -1.15 2.02 -1.97 -1.12 112.91 112.40 2ppw h THR 97 Ca 0.33 -0.93 0.09 0.00 0.77 0.00 0.00 66.41 66.67 2ppw h THR 97 Cb -0.03 0.46 -0.07 0.00 -1.74 0.00 0.00 68.15 66.76 2ppw h THR 97 CO -0.09 0.37 0.31 0.44 0.37 0.00 0.00 175.52 176.92 2ppw h ASP 98 N 1.11 0.39 -0.59 4.18 3.32 -1.87 0.45 116.42 123.40 2ppw h ASP 98 Ca 0.24 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.30 2ppw h ASP 98 Cb 0.33 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 2ppw h ASP 98 CO -0.00 0.22 0.16 0.00 -1.72 0.00 0.00 179.24 177.90 2ppw h ALA 99 N 1.42 0.78 0.16 3.45 0.00 -0.88 -0.30 119.26 123.88 2ppw h ALA 99 Ca 0.33 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2ppw h ALA 99 Cb 0.35 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2ppw h ALA 99 CO -0.27 0.47 -0.08 -0.92 0.00 0.00 0.00 179.25 178.45 2ppw h TYR 100 N 0.85 -0.20 -0.76 0.00 3.20 -0.75 -2.59 116.97 116.72 2ppw h TYR 100 Ca 0.19 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.10 2ppw h TYR 100 Cb 0.33 0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.61 2ppw h TYR 100 CO 0.02 -0.03 0.46 -0.07 -1.64 0.00 0.00 178.16 176.90 2ppw h LEU 101 N -0.34 0.73 -0.38 2.82 3.38 -0.80 -1.96 115.31 118.76 2ppw h LEU 101 Ca -0.02 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.04 2ppw h LEU 101 Cb 0.26 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.79 2ppw h LEU 101 CO 0.04 0.48 -0.20 0.22 0.09 0.00 0.00 178.44 179.06 2ppw h TYR 102 N 0.86 -0.51 -0.58 1.13 3.20 -1.00 0.31 116.97 120.38 2ppw h TYR 102 Ca 0.32 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.23 2ppw h TYR 102 Cb 0.12 0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.65 2ppw h TYR 102 CO -0.05 -0.28 0.32 0.66 -1.64 0.00 0.00 178.16 177.17 2ppw h SER 103 N -0.14 0.71 0.18 -2.11 4.64 -0.98 -0.14 113.55 115.71 2ppw h SER 103 Ca 0.19 -0.05 -0.35 0.00 -0.47 0.00 0.00 61.79 61.11 2ppw h SER 103 Cb 0.43 -0.18 0.01 0.00 -0.31 0.00 0.00 62.40 62.35 2ppw h SER 103 CO -0.47 0.57 -1.76 1.56 -0.87 0.00 0.00 176.83 175.86 2ppw h GLN 104 N 0.81 0.39 0.00 4.77 1.08 -0.66 0.37 115.11 121.86 2ppw h GLN 104 Ca 0.21 -0.66 -0.15 0.00 -1.45 0.00 0.00 58.65 56.60 2ppw h GLN 104 Cb 0.02 0.25 -0.02 0.00 -0.05 0.00 0.00 27.48 27.67 2ppw h GLN 104 CO -0.03 1.32 -0.85 0.82 -0.95 0.00 0.00 178.83 179.13 2ppw h ILE 105 N 0.09 1.10 0.01 2.54 2.04 -0.43 -0.42 117.51 122.44 2ppw h ILE 105 Ca -0.35 -2.15 -0.31 0.00 1.00 0.00 0.00 64.86 63.05 2ppw h ILE 105 Cb 2.09 2.41 -0.04 0.00 -0.74 0.00 0.00 36.82 40.53 2ppw h ILE 105 CO 0.17 0.37 -1.70 0.59 0.00 0.00 0.00 178.15 177.58 2ppw n ASN 106 N -4.50 1.91 -2.25 1.72 3.02 -0.65 -4.69 115.26 109.83 2ppw n ASN 106 Ca -0.24 0.37 -0.18 0.00 -0.03 0.00 0.00 54.58 54.49 2ppw n ASN 106 Cb 0.59 -0.90 0.01 0.00 -0.61 0.00 0.00 39.78 38.87 2ppw n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ppw n GLY 107 N 1.45 -0.34 3.38 7.41 0.00 -0.16 -4.87 105.19 112.06 2ppw n GLY 107 Ca -0.39 -0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.26 2ppw n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ppw n GLY 108 N -1.19 -2.55 1.14 -0.02 0.00 -1.26 -4.81 105.19 96.50 2ppw n GLY 108 Ca -0.16 -1.53 0.09 0.00 0.00 0.00 0.00 46.02 44.42 2ppw n GLY 108 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2ppw n ASN 109 N -4.62 3.87 -3.68 1.61 0.23 -1.05 -4.97 115.26 106.66 2ppw n ASN 109 Ca 0.15 -2.26 -0.12 0.00 -0.53 0.00 0.00 54.58 51.81 2ppw n ASN 109 Cb 0.56 -0.44 -0.06 0.00 -2.08 0.00 0.00 39.78 37.75 2ppw n ASN 109 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ppw s ALA 110 N -1.48 -0.95 -0.04 -2.53 0.00 -0.59 -0.86 121.76 115.32 2ppw s ALA 110 Ca 0.40 0.24 -0.02 0.00 0.00 0.00 0.00 51.96 52.58 2ppw s ALA 110 Cb 0.24 0.36 0.02 0.00 0.00 0.00 0.00 23.12 23.75 2ppw s ALA 110 CO 0.22 -0.46 0.08 -1.17 0.00 0.00 0.00 175.76 174.44 2ppw s LEU 111 N -2.05 1.26 -0.03 0.00 2.96 -0.28 -1.49 118.68 119.04 2ppw s LEU 111 Ca -0.05 0.16 0.00 0.00 -0.22 0.00 0.00 54.13 54.03 2ppw s LEU 111 Cb -0.01 0.20 -0.03 0.00 0.50 0.00 0.00 46.19 46.85 2ppw s LEU 111 CO -0.03 -0.09 0.01 -0.55 -1.32 0.00 0.00 176.35 174.37 2ppw s SER 112 N 0.64 5.20 0.01 3.68 0.15 -0.05 -1.05 113.70 122.28 2ppw s SER 112 Ca -0.05 0.06 0.04 0.00 0.70 0.00 0.00 55.95 56.70 2ppw s SER 112 Cb -0.07 -1.41 -0.01 0.00 -1.71 0.00 0.00 66.02 62.82 2ppw s SER 112 CO -0.03 0.32 -0.11 -0.63 1.20 0.00 0.00 173.24 173.99 2ppw s ILE 113 N -1.01 0.90 0.12 6.45 1.01 -0.88 -2.10 121.20 125.68 2ppw s ILE 113 Ca 0.17 -0.68 -0.31 0.00 0.00 0.00 0.00 60.65 59.84 2ppw s ILE 113 Cb -0.11 -0.79 -0.08 0.00 0.01 0.00 0.00 42.46 41.49 2ppw s ILE 113 CO 0.07 0.11 1.39 -2.16 0.00 0.00 0.00 174.94 174.35 2ppw s PRO 114 N -0.64 4.32 0.00 2.79 0.04 -1.25 -3.26 135.00 137.00 2ppw s PRO 114 Ca 0.02 2.08 0.12 0.00 0.04 0.00 0.00 61.00 63.26 2ppw s PRO 114 Cb -0.06 -3.24 0.15 0.00 0.04 0.00 0.00 34.50 31.39 2ppw s PRO 114 CO 0.00 -0.43 0.97 0.66 0.04 0.00 0.00 177.00 178.24 2ppw n TYR 115 N 3.88 0.12 0.06 0.56 4.01 0.21 -4.80 117.16 121.20 2ppw n TYR 115 Ca 0.11 -0.12 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 2ppw n TYR 115 Cb 0.42 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 2ppw n TYR 115 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2ppw n ALA 116 N 0.65 3.00 -1.95 -0.72 0.00 -0.79 -4.75 120.51 115.95 2ppw n ALA 116 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.10 2ppw n ALA 116 Cb 0.33 0.22 -0.03 0.00 0.00 0.00 0.00 19.45 19.98 2ppw n ALA 116 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2ppw s LYS 117 N -2.00 4.20 0.00 0.00 2.36 -0.40 -1.41 119.74 122.49 2ppw s LYS 117 Ca 0.00 2.30 0.00 0.00 -2.55 0.00 0.00 55.97 55.72 2ppw s LYS 117 Cb 0.00 -3.69 0.00 0.00 -1.05 0.00 0.00 37.83 33.09 2ppw s LYS 117 CO 0.00 -0.75 0.00 0.41 1.55 0.00 0.00 175.35 176.56 2ppw n GLY 118 N 4.02 0.70 3.35 5.54 0.00 -1.26 -4.87 105.19 112.67 2ppw n GLY 118 Ca 0.16 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.72 2ppw n GLY 118 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2ppw s PHE 119 N -2.94 3.80 0.00 1.61 5.36 -0.50 -4.94 117.98 120.38 2ppw s PHE 119 Ca 0.00 -2.10 0.00 0.00 -0.96 0.00 0.00 56.93 53.87 2ppw s PHE 119 Cb 0.00 -3.90 0.00 0.00 -0.34 0.00 0.00 43.02 38.78 2ppw s PHE 119 CO 0.00 -1.06 0.00 0.41 -1.46 0.00 0.00 175.22 173.11 2ppw n GLY 120 N 3.85 4.94 3.74 13.12 0.00 -1.26 -4.87 105.19 124.70 2ppw n GLY 120 Ca 0.18 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 2ppw n GLY 120 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2ppw s TRP 121 N 3.43 2.98 -0.01 1.61 -0.00 -1.26 -1.47 118.94 124.22 2ppw s TRP 121 Ca 0.00 0.85 0.00 0.00 -0.00 0.00 0.00 56.10 56.95 2ppw s TRP 121 Cb 0.00 -3.90 0.00 0.00 -0.00 0.00 0.00 33.47 29.57 2ppw s TRP 121 CO 0.00 -3.09 0.00 0.41 -0.00 0.00 0.00 176.95 174.27 2ppw n GLY 122 N 2.68 0.38 0.27 5.86 0.00 -1.26 -4.90 105.19 108.22 2ppw n GLY 122 Ca 0.09 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.19 2ppw n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ppw h ALA 123 N 0.00 1.97 0.00 4.61 0.00 -1.62 -1.81 119.26 122.41 2ppw h ALA 123 Ca -0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2ppw h ALA 123 Cb 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2ppw h ALA 123 CO 0.00 -0.02 -0.40 1.05 0.00 0.00 0.00 179.25 179.88 2ppw h GLU 124 N 0.00 0.00 -0.23 0.00 9.09 -1.90 -1.12 114.58 120.42 2ppw h GLU 124 Ca 0.01 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.39 2ppw h GLU 124 Cb 0.03 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.12 2ppw h GLU 124 CO -0.00 0.40 0.06 -0.07 0.05 0.00 0.00 179.01 179.45 2ppw h LEU 125 N 0.00 0.34 -0.31 3.06 3.38 -1.74 -1.33 115.31 118.72 2ppw h LEU 125 Ca -0.00 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 2ppw h LEU 125 Cb 0.95 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2ppw h LEU 125 CO 0.05 0.48 0.17 0.74 0.09 0.00 0.00 178.44 179.97 2ppw h THR 126 N 0.19 1.14 -0.21 0.22 2.02 -1.40 -1.91 112.91 112.96 2ppw h THR 126 Ca 0.07 -0.37 0.03 0.00 0.77 0.00 0.00 66.41 66.92 2ppw h THR 126 Cb 0.27 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 2ppw h THR 126 CO 0.00 0.14 -0.00 -0.07 0.37 0.00 0.00 175.52 175.96 2ppw h LEU 127 N 0.38 -0.08 -0.79 2.58 3.38 -1.20 -2.45 115.31 117.13 2ppw h LEU 127 Ca 0.11 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.18 2ppw h LEU 127 Cb 0.07 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 2ppw h LEU 127 CO -0.02 -0.01 0.48 0.11 0.09 0.00 0.00 178.44 179.09 2ppw h LYS 128 N 0.07 0.85 -1.42 1.13 1.57 -1.17 -0.76 116.57 116.85 2ppw h LYS 128 Ca 0.10 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2ppw h LYS 128 Cb 0.12 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.24 2ppw h LYS 128 CO -0.17 0.57 0.00 -0.11 -0.57 0.00 0.00 179.45 179.17 2ppw n LEU 129 N -4.67 1.43 0.00 2.94 7.94 -0.73 -1.46 117.00 122.46 2ppw n LEU 129 Ca 0.11 -0.72 0.00 0.00 -1.11 0.00 0.00 56.01 54.29 2ppw n LEU 129 Cb 0.17 -0.25 0.00 0.00 0.53 0.00 0.00 43.42 43.86 2ppw n LEU 129 CO 0.31 0.24 0.00 0.49 -1.11 0.00 0.00 177.39 177.32 2ppw n PHE 131 N 0.71 0.00 -0.11 1.96 3.72 -0.29 -1.40 117.46 122.05 2ppw n PHE 131 Ca 0.00 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.32 2ppw n PHE 131 Cb 0.24 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.78 2ppw n PHE 131 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2ppw h GLU 132 N 0.00 0.42 -0.26 -1.08 4.81 -1.50 -2.84 114.58 114.14 2ppw h GLU 132 Ca 0.00 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.10 2ppw h GLU 132 Cb 0.00 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2ppw h GLU 132 CO 0.00 0.28 -0.27 0.00 -0.73 0.00 0.00 179.01 178.30 2ppw h ARG 133 N 0.44 0.50 -0.88 1.92 2.47 -1.51 -1.44 114.38 115.89 2ppw h ARG 133 Ca 0.14 -0.20 0.04 0.00 -1.26 0.00 0.00 59.98 58.70 2ppw h ARG 133 Cb -0.01 -0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 28.23 2ppw h ARG 133 CO -0.06 0.73 0.57 1.25 0.56 0.00 0.00 179.97 183.02 2ppw h LEU 134 N 0.44 0.94 -2.12 3.04 5.85 -1.73 -3.17 115.31 118.57 2ppw h LEU 134 Ca 0.06 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2ppw h LEU 134 Cb 0.70 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.52 2ppw h LEU 134 CO 0.05 0.64 0.00 0.49 -0.34 0.00 0.00 178.44 179.28 2ppw n PHE 135 N -4.54 0.28 -0.27 1.25 3.72 -1.09 -4.65 117.46 112.16 2ppw n PHE 135 Ca 0.11 -0.19 -0.03 0.00 -0.05 0.00 0.00 57.45 57.30 2ppw n PHE 135 Cb 0.10 -0.00 0.09 0.00 -0.94 0.00 0.00 39.48 38.72 2ppw n PHE 135 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2ppw h ALA 136 N 3.49 1.00 -3.41 4.37 0.00 -1.23 -3.44 119.26 120.05 2ppw h ALA 136 Ca 0.00 -0.03 -0.41 0.00 0.00 0.00 0.00 54.91 54.47 2ppw h ALA 136 Cb 0.81 -0.25 -0.21 0.00 0.00 0.00 0.00 17.79 18.13 2ppw h ALA 136 CO 0.00 0.28 -0.78 -1.21 0.00 0.00 0.00 179.25 177.54 2ppw s GLU 137 N -6.11 0.81 0.00 0.00 2.02 -1.26 -5.11 118.70 109.05 2ppw s GLU 137 Ca -0.13 -0.95 0.00 0.00 0.02 0.00 0.00 54.97 53.91 2ppw s GLU 137 Cb 0.16 -0.82 0.00 0.00 0.10 0.00 0.00 34.13 33.57 2ppw s GLU 137 CO 0.78 0.18 0.00 -1.91 0.02 0.00 0.00 175.26 174.33 2ppw n GLU 138 N 1.28 2.81 0.00 1.61 2.13 -1.26 -4.94 120.64 122.27 2ppw n GLU 138 Ca -0.21 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.61 2ppw n GLU 138 Cb 0.54 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.25 2ppw n GLU 138 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ppw n GLY 140 N 0.00 0.00 0.00 8.31 0.00 0.13 -4.82 105.19 108.80 2ppw n GLY 140 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 2ppw n GLY 140 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ppw n GLY 141 N 0.15 -0.98 0.00 -0.02 0.00 -1.20 -4.79 105.19 98.35 2ppw n GLY 141 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2ppw n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ppw n GLY 142 N -0.01 -1.01 2.83 -0.02 0.00 -0.17 -4.70 105.19 102.10 2ppw n GLY 142 Ca 0.04 -1.28 -0.24 0.00 0.00 0.00 0.00 46.02 44.54 2ppw n GLY 142 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ppw s TYR 143 N -1.30 0.95 0.96 1.61 6.14 -1.26 -3.59 117.35 120.86 2ppw s TYR 143 Ca 0.00 -0.36 -0.13 0.00 0.64 0.00 0.00 57.07 57.23 2ppw s TYR 143 Cb 0.00 -0.93 0.17 0.00 0.42 0.00 0.00 41.96 41.62 2ppw s TYR 143 CO 0.00 -0.37 1.12 -1.25 0.64 0.00 0.00 175.55 175.69 2ppw s PRO 144 N 1.76 0.70 0.46 4.97 0.04 -1.26 -4.85 135.00 136.82 2ppw s PRO 144 Ca 0.03 0.35 0.23 0.00 0.04 0.00 0.00 61.00 61.64 2ppw s PRO 144 Cb -0.13 -1.78 1.22 0.00 0.04 0.00 0.00 34.50 33.86 2ppw s PRO 144 CO -0.05 -2.51 1.85 0.00 0.04 0.00 0.00 177.00 176.33 2ppw h ARG 145 N -1.73 0.26 0.00 4.56 2.47 -1.85 -0.38 114.38 117.71 2ppw h ARG 145 Ca -0.52 -0.02 -0.05 0.00 -1.26 0.00 0.00 59.98 58.14 2ppw h ARG 145 Cb 1.33 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 29.59 2ppw h ARG 145 CO 0.59 0.17 -0.22 0.93 0.56 0.00 0.00 179.97 182.00 2ppw h GLU 146 N 0.27 0.00 -0.76 0.04 3.07 -1.93 -2.86 114.58 112.42 2ppw h GLU 146 Ca 0.47 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 59.22 2ppw h GLU 146 Cb 1.41 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 29.25 2ppw h GLU 146 CO -0.14 0.22 0.15 0.54 -1.40 0.00 0.00 179.01 178.39 2ppw n ARG 147 N -3.97 3.58 -0.30 2.33 1.74 -0.15 -4.57 116.66 115.33 2ppw n ARG 147 Ca -0.02 -2.53 -0.02 0.00 -0.77 0.00 0.00 57.85 54.51 2ppw n ARG 147 Cb 0.30 -2.08 0.11 0.00 -1.02 0.00 0.00 32.46 29.77 2ppw n ARG 147 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 2ppw h VAL 148 N 2.57 1.12 0.86 1.55 3.04 -1.57 -2.85 116.25 120.98 2ppw h VAL 148 Ca 0.14 -0.35 -0.04 0.00 -1.01 0.00 0.00 66.70 65.44 2ppw h VAL 148 Cb 1.94 0.02 0.01 0.00 -2.01 0.00 0.00 31.29 31.24 2ppw h VAL 148 CO 0.54 0.18 -0.41 0.40 -1.01 0.00 0.00 177.57 177.27 2ppw h ILE 149 N 1.01 0.13 -0.14 3.17 1.08 -1.86 -0.75 117.51 120.15 2ppw h ILE 149 Ca 0.33 -0.03 -0.08 0.00 -0.39 0.00 0.00 64.86 64.69 2ppw h ILE 149 Cb 0.03 0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 33.90 2ppw h ILE 149 CO -0.12 0.00 -0.28 1.55 -0.69 0.00 0.00 178.15 178.61 2ppw h PRO 150 N -1.19 0.25 -0.30 2.37 0.13 -1.92 0.26 132.00 131.61 2ppw h PRO 150 Ca -0.12 -0.09 -0.06 0.00 -0.87 0.00 0.00 66.00 64.86 2ppw h PRO 150 Cb 0.89 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 2ppw h PRO 150 CO 0.19 0.52 -0.06 0.93 -0.23 0.00 0.00 178.00 179.35 2ppw h GLU 151 N 0.23 0.57 -0.70 0.86 5.08 -1.51 -0.89 114.58 118.22 2ppw h GLU 151 Ca 0.03 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.12 2ppw h GLU 151 Cb 0.62 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 2ppw h GLU 151 CO 0.04 0.76 0.21 1.96 -1.00 0.00 0.00 179.01 180.98 2ppw h GLN 152 N 0.34 1.10 -0.18 2.33 4.20 -0.97 -1.64 115.11 120.29 2ppw h GLN 152 Ca 0.08 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.55 2ppw h GLN 152 Cb 0.54 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 2ppw h GLN 152 CO 0.03 0.95 0.11 -0.09 -0.67 0.00 0.00 178.83 179.15 2ppw h ARG 153 N 1.03 0.22 -0.52 1.46 2.43 -0.76 0.23 114.38 118.47 2ppw h ARG 153 Ca 0.22 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.29 2ppw h ARG 153 Cb 0.31 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 2ppw h ARG 153 CO -0.01 0.15 -0.03 -0.91 -1.51 0.00 0.00 179.97 177.66 2ppw h ASN 154 N 0.23 0.87 -0.72 -3.80 -0.26 -1.07 -0.11 115.58 110.72 2ppw h ASN 154 Ca 0.07 -0.24 -0.01 0.00 -0.56 0.00 0.00 56.30 55.56 2ppw h ASN 154 Cb -0.01 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 36.98 2ppw h ASN 154 CO -0.03 0.95 0.41 0.00 -1.06 0.00 0.00 177.43 177.71 2ppw h ALA 155 N 1.14 0.93 -0.24 -0.83 0.00 -1.07 -0.54 119.26 118.65 2ppw h ALA 155 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2ppw h ALA 155 Cb 0.53 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2ppw h ALA 155 CO 0.03 0.42 0.15 -0.09 0.00 0.00 0.00 179.25 179.76 2ppw h ARG 156 N 0.99 0.32 -0.63 0.00 2.43 -0.41 -2.78 114.38 114.29 2ppw h ARG 156 Ca 0.26 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.35 2ppw h ARG 156 Cb 0.01 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 2ppw h ARG 156 CO -0.04 0.23 0.17 0.82 -1.51 0.00 0.00 179.97 179.63 2ppw h ILE 157 N 0.31 1.24 -0.21 1.20 1.08 -0.82 -1.32 117.51 118.99 2ppw h ILE 157 Ca 0.09 -0.87 0.03 0.00 -0.39 0.00 0.00 64.86 63.71 2ppw h ILE 157 Cb -0.01 0.58 -0.03 0.00 -3.07 0.00 0.00 36.82 34.29 2ppw h ILE 157 CO -0.02 0.33 0.02 0.25 -0.69 0.00 0.00 178.15 178.05 2ppw h LEU 158 N 0.94 -0.03 -0.85 1.44 5.85 -1.02 0.78 115.31 122.41 2ppw h LEU 158 Ca 0.20 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.99 2ppw h LEU 158 Cb 0.31 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 2ppw h LEU 158 CO -0.00 0.01 0.55 0.78 -0.34 0.00 0.00 178.44 179.44 2ppw h ASN 159 N 0.10 0.91 -0.63 1.25 2.35 -1.18 0.19 115.58 118.58 2ppw h ASN 159 Ca 0.10 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 2ppw h ASN 159 Cb 0.11 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 2ppw h ASN 159 CO -0.15 0.63 0.31 -0.33 -1.65 0.00 0.00 177.43 176.24 2ppw h GLU 160 N 1.07 0.91 -0.60 0.81 5.08 -0.85 -2.27 114.58 118.74 2ppw h GLU 160 Ca 0.33 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.51 2ppw h GLU 160 Cb -0.01 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 2ppw h GLU 160 CO -0.11 0.73 0.19 0.28 -1.00 0.00 0.00 179.01 179.10 2ppw h VAL 161 N 0.87 1.24 -0.07 3.13 2.07 -0.40 -3.02 116.25 120.08 2ppw h VAL 161 Ca 0.22 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 2ppw h VAL 161 Cb 0.12 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2ppw h VAL 161 CO -0.03 0.31 -0.02 0.11 0.02 0.00 0.00 177.57 177.96 2ppw h LYS 162 N 0.85 0.10 -0.38 1.57 1.57 -0.37 -0.66 116.57 119.25 2ppw h LYS 162 Ca 0.19 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.02 2ppw h LYS 162 Cb 0.28 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 2ppw h LYS 162 CO -0.01 0.13 0.26 1.96 -0.57 0.00 0.00 179.45 181.22 2ppw h GLN 163 N 0.10 0.26 0.10 3.15 1.08 -1.27 -2.26 115.11 116.26 2ppw h GLN 163 Ca 0.02 -0.02 -0.34 0.00 -1.45 0.00 0.00 58.65 56.87 2ppw h GLN 163 Cb 0.11 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.46 2ppw h GLN 163 CO 0.00 0.17 -1.85 -0.89 -0.95 0.00 0.00 178.83 175.31 2ppw n ILE 164 N -4.48 1.74 0.20 2.54 5.41 -0.46 -4.45 119.36 119.87 2ppw n ILE 164 Ca 0.05 -0.53 0.11 0.00 1.00 0.00 0.00 62.75 63.37 2ppw n ILE 164 Cb 0.26 -1.80 0.14 0.00 -0.71 0.00 0.00 39.64 37.53 2ppw n ILE 164 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 2ppw h THR 165 N -0.14 0.11 -3.12 1.39 1.35 -1.09 -3.44 112.91 107.97 2ppw h THR 165 Ca -0.41 -1.16 -0.67 0.00 -0.55 0.00 0.00 66.41 63.62 2ppw h THR 165 Cb 1.89 2.02 -0.12 0.00 -1.73 0.00 0.00 68.15 70.22 2ppw h THR 165 CO 0.03 0.06 -0.58 -1.00 -0.25 0.00 0.00 175.52 173.78 2ppw s HIS 166 N -3.19 3.28 0.79 4.73 3.76 -0.86 -5.07 115.29 118.74 2ppw s HIS 166 Ca 0.06 0.26 -0.13 0.00 -0.15 0.00 0.00 55.06 55.10 2ppw s HIS 166 Cb 0.06 -1.79 0.07 0.00 1.11 0.00 0.00 32.58 32.03 2ppw s HIS 166 CO 0.69 0.55 1.17 -0.80 -0.85 0.00 0.00 174.74 175.50 2ppw s ASN 167 N -1.25 3.84 0.66 1.40 0.01 -1.26 -4.87 114.94 113.47 2ppw s ASN 167 Ca 0.17 2.24 -0.11 0.00 -0.71 0.00 0.00 52.86 54.45 2ppw s ASN 167 Cb -0.12 -2.57 -0.02 0.00 0.41 0.00 0.00 41.25 38.95 2ppw s ASN 167 CO 0.07 -2.50 1.05 1.51 -1.51 0.00 0.00 177.10 175.72 2ppw s ASP 168 N -2.40 5.81 0.00 -1.22 1.47 -1.26 -4.45 116.67 114.62 2ppw s ASP 168 Ca 0.70 1.48 0.00 0.00 1.18 0.00 0.00 52.55 55.91 2ppw s ASP 168 Cb -0.26 -2.44 0.00 0.00 -0.34 0.00 0.00 42.92 39.88 2ppw s ASP 168 CO 0.50 -1.15 0.00 -0.11 0.68 0.00 0.00 175.17 175.10 2ppw n LEU 169 N -2.93 0.00 0.00 2.11 7.94 -1.26 -2.09 117.00 120.77 2ppw n LEU 169 Ca 0.07 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.97 2ppw n LEU 169 Cb 0.54 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.49 2ppw n LEU 169 CO 0.57 0.00 0.00 0.41 -1.11 0.00 0.00 177.39 177.26 2ppw n THR 171 N 0.79 0.00 -0.14 1.96 -1.04 -1.26 -1.01 114.28 113.58 2ppw n THR 171 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 2ppw n THR 171 Cb 0.00 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.54 2ppw n THR 171 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2ppw h ILE 172 N 0.00 0.96 -0.30 12.58 2.04 -1.77 -0.67 117.51 130.34 2ppw h ILE 172 Ca 0.00 -0.15 -0.07 0.00 1.00 0.00 0.00 64.86 65.65 2ppw h ILE 172 Cb 0.00 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 2ppw h ILE 172 CO 0.00 0.08 -0.10 -0.07 0.00 0.00 0.00 178.15 178.05 2ppw h LEU 173 N 0.43 0.48 -0.36 1.44 3.38 -1.36 0.27 115.31 119.58 2ppw h LEU 173 Ca 0.19 -0.12 -0.18 0.00 0.09 0.00 0.00 57.88 57.87 2ppw h LEU 173 Cb 0.11 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2ppw h LEU 173 CO -0.14 0.62 -0.82 0.11 0.09 0.00 0.00 178.44 178.29 2ppw h LYS 174 N 0.46 0.08 0.06 1.13 1.57 -1.70 -3.36 116.57 114.81 2ppw h LYS 174 Ca 0.09 -0.09 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 2ppw h LYS 174 Cb 0.46 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 2ppw h LYS 174 CO 0.03 0.86 -1.36 0.82 -0.57 0.00 0.00 179.45 179.22 2ppw h ILE 175 N 0.05 0.95 -2.76 1.86 2.04 -0.79 -3.49 117.51 115.37 2ppw h ILE 175 Ca -0.02 -2.28 -0.58 0.00 1.00 0.00 0.00 64.86 62.97 2ppw h ILE 175 Cb 1.44 2.49 0.18 0.00 -0.74 0.00 0.00 36.82 40.19 2ppw h ILE 175 CO 0.12 0.56 -0.58 0.00 0.00 0.00 0.00 178.15 178.24 2ppw n ILE 176 N -4.12 1.69 -1.65 -0.67 3.06 0.90 -4.82 119.36 113.75 2ppw n ILE 176 Ca -0.29 -0.49 -0.49 0.00 -2.50 0.00 0.00 62.75 58.98 2ppw n ILE 176 Cb 0.80 -0.53 -0.05 0.00 0.54 0.00 0.00 39.64 40.40 2ppw n ILE 176 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 2ppw n ASP 177 N 0.90 2.67 -0.08 9.51 -0.08 -1.26 -4.90 116.55 123.32 2ppw n ASP 177 Ca 0.10 1.07 -0.12 0.00 -1.51 0.00 0.00 54.79 54.34 2ppw n ASP 177 Cb 0.48 -1.32 0.02 0.00 2.34 0.00 0.00 41.12 42.63 2ppw n ASP 177 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 2ppw h GLN 178 N 6.20 0.81 -0.55 -0.67 1.08 -1.94 -1.76 115.11 118.27 2ppw h GLN 178 Ca -0.46 -0.44 -0.01 0.00 -1.45 0.00 0.00 58.65 56.29 2ppw h GLN 178 Cb 1.29 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 28.71 2ppw h GLN 178 CO 0.87 1.07 0.32 -0.44 -0.95 0.00 0.00 178.83 179.70 2ppw h ASP 179 N 0.66 0.68 -0.28 1.46 3.32 -1.99 -0.44 116.42 119.83 2ppw h ASP 179 Ca 0.05 -0.08 0.06 0.00 0.02 0.00 0.00 57.03 57.08 2ppw h ASP 179 Cb 0.99 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 40.30 2ppw h ASP 179 CO 0.09 0.56 -0.13 0.15 -1.72 0.00 0.00 179.24 178.19 2ppw h PHE 180 N 0.74 -0.30 -0.22 4.55 3.57 -1.87 -0.38 116.94 123.03 2ppw h PHE 180 Ca 0.20 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 2ppw h PHE 180 Cb 0.02 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 2ppw h PHE 180 CO -0.02 -0.19 0.01 1.25 -2.23 0.00 0.00 178.31 177.13 2ppw h LEU 181 N -0.08 0.37 -0.63 0.59 5.85 -1.19 -2.47 115.31 117.74 2ppw h LEU 181 Ca 0.14 -0.30 0.06 0.00 0.84 0.00 0.00 57.88 58.63 2ppw h LEU 181 Cb 0.30 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 2ppw h LEU 181 CO -0.33 0.57 0.34 0.11 -0.34 0.00 0.00 178.44 178.79 2ppw h LYS 182 N 0.15 0.61 -0.22 1.25 1.57 -0.89 -2.09 116.57 116.95 2ppw h LYS 182 Ca 0.06 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 2ppw h LYS 182 Cb 0.38 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 2ppw h LYS 182 CO 0.01 0.40 -0.10 -0.44 -0.57 0.00 0.00 179.45 178.75 2ppw h ASP 183 N 0.62 0.33 -0.27 0.86 3.32 -1.03 -1.96 116.42 118.28 2ppw h ASP 183 Ca 0.28 -0.07 -0.12 0.00 0.02 0.00 0.00 57.03 57.14 2ppw h ASP 183 Cb 0.19 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2ppw h ASP 183 CO -0.19 0.47 -0.26 0.74 -1.72 0.00 0.00 179.24 178.29 2ppw h THR 184 N 0.33 1.27 -0.54 0.35 2.02 -0.90 -3.23 112.91 112.21 2ppw h THR 184 Ca 0.07 -1.38 0.00 0.00 0.77 0.00 0.00 66.41 65.87 2ppw h THR 184 Cb 0.39 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 2ppw h THR 184 CO 0.02 0.46 0.00 2.30 0.37 0.00 0.00 175.52 178.67 2ppw n ILE 185 N -4.10 0.96 0.39 3.11 -5.35 -0.95 -4.54 119.36 108.88 2ppw n ILE 185 Ca -0.00 -0.98 0.13 0.00 -0.27 0.00 0.00 62.75 61.62 2ppw n ILE 185 Cb 0.45 0.54 0.28 0.00 -1.74 0.00 0.00 39.64 39.17 2ppw n ILE 185 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 2ppw h SER 186 N 3.28 0.00 -3.93 7.28 4.64 -1.38 -3.40 113.55 120.04 2ppw h SER 186 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 2ppw h SER 186 Cb 0.87 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 63.06 2ppw h SER 186 CO 0.00 0.00 0.75 -0.83 -0.87 0.00 0.00 176.83 175.88 2ppw s GLY 187 N -3.94 2.96 0.33 -0.77 0.00 -1.26 -4.87 107.32 99.76 2ppw s GLY 187 Ca 0.08 1.51 0.01 0.00 0.00 0.00 0.00 44.72 46.33 2ppw s GLY 187 CO 0.64 2.19 1.95 0.07 0.00 0.00 0.00 173.10 177.94 2ppw h LYS 188 N 3.06 0.83 -0.13 2.90 2.10 -1.97 -1.20 116.57 122.17 2ppw h LYS 188 Ca -0.50 -0.09 -0.09 0.00 -2.00 0.00 0.00 60.65 57.97 2ppw h LYS 188 Cb 1.24 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 2ppw h LYS 188 CO 0.64 0.62 -0.27 1.88 -2.00 0.00 0.00 179.45 180.32 2ppw h TYR 189 N 0.84 0.52 -0.16 0.07 0.05 -1.91 0.22 116.97 116.61 2ppw h TYR 189 Ca 0.21 -0.19 0.05 0.00 0.05 0.00 0.00 58.73 58.85 2ppw h TYR 189 Cb 0.04 -0.10 -0.06 0.00 1.01 0.00 0.00 36.73 37.62 2ppw h TYR 189 CO 0.01 0.89 -0.23 0.35 -1.05 0.00 0.00 178.16 178.13 2ppw h PHE 190 N 0.01 -0.60 -0.98 4.88 3.57 -1.72 0.32 116.94 122.42 2ppw h PHE 190 Ca 0.00 0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.67 2ppw h PHE 190 Cb 0.86 0.29 -0.08 0.00 2.79 0.00 0.00 35.95 39.81 2ppw h PHE 190 CO 0.10 -0.31 0.62 1.96 -2.23 0.00 0.00 178.31 178.46 2ppw h GLN 191 N -0.27 0.89 0.21 1.11 1.08 -1.08 0.24 115.11 117.28 2ppw h GLN 191 Ca 0.11 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.25 2ppw h GLN 191 Cb 0.44 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 2ppw h GLN 191 CO -0.32 0.59 -0.10 1.49 -0.95 0.00 0.00 178.83 179.54 2ppw h GLU 192 N 0.91 -0.27 -0.03 1.46 4.81 -0.49 -3.39 114.58 117.59 2ppw h GLU 192 Ca 0.49 0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 59.55 2ppw h GLU 192 Cb 0.57 0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.03 2ppw h GLU 192 CO -0.26 0.12 -0.74 1.88 -0.73 0.00 0.00 179.01 179.28 2ppw h TYR 193 N -0.87 0.80 0.37 0.92 0.05 -0.03 -3.33 116.97 114.87 2ppw h TYR 193 Ca -0.03 -0.41 -0.02 0.00 0.05 0.00 0.00 58.73 58.32 2ppw h TYR 193 Cb 0.51 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.15 2ppw h TYR 193 CO 0.07 1.23 -0.19 0.35 -1.05 0.00 0.00 178.16 178.57 2ppw h PHE 194 N 0.13 -0.49 -0.12 4.88 3.57 -0.73 -2.30 116.94 121.88 2ppw h PHE 194 Ca -0.08 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.34 2ppw h PHE 194 Cb 1.42 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 40.31 2ppw h PHE 194 CO 0.12 -0.30 -0.21 0.74 -2.23 0.00 0.00 178.31 176.43 2ppw h PHE 195 N -0.52 0.21 -0.02 0.41 0.04 -1.75 0.59 116.94 115.91 2ppw h PHE 195 Ca -0.05 -0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.63 2ppw h PHE 195 Cb 0.40 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.49 2ppw h PHE 195 CO -0.06 0.41 -0.26 1.49 -0.60 0.00 0.00 178.31 179.29 2ppw h GLU 196 N 0.19 0.04 0.00 1.51 4.57 -1.63 -3.34 114.58 115.92 2ppw h GLU 196 Ca 0.03 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2ppw h GLU 196 Cb 0.49 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 2ppw h GLU 196 CO 0.03 0.30 -1.00 0.09 -1.18 0.00 0.00 179.01 177.26 2ppw n ASN 197 N -4.21 1.99 -4.71 1.04 3.02 -0.46 -5.01 115.26 106.92 2ppw n ASN 197 Ca -0.02 -0.28 -0.43 0.00 -0.03 0.00 0.00 54.58 53.83 2ppw n ASN 197 Cb 0.32 1.24 -0.03 0.00 -0.61 0.00 0.00 39.78 40.70 2ppw n ASN 197 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ppw n GLN 199 N 4.19 2.13 -3.76 0.00 6.02 0.01 -4.83 117.38 121.13 2ppw n GLN 199 Ca 0.17 -1.97 -0.36 0.00 -0.01 0.00 0.00 57.00 54.82 2ppw n GLN 199 Cb 0.34 -1.39 -0.11 0.00 1.02 0.00 0.00 30.24 30.10 2ppw n GLN 199 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2ppw s ASP 200 N -1.27 5.25 0.37 1.08 -1.08 -1.24 -4.98 116.67 114.81 2ppw s ASP 200 Ca 0.29 -2.19 0.10 0.00 -0.52 0.00 0.00 52.55 50.23 2ppw s ASP 200 Cb 0.17 -1.84 0.84 0.00 -1.46 0.00 0.00 42.92 40.64 2ppw s ASP 200 CO 0.24 -0.51 1.89 0.44 0.52 0.00 0.00 175.17 177.75 2ppw h ASP 201 N 7.86 0.62 -0.46 -0.34 3.45 -1.96 -2.28 116.42 123.30 2ppw h ASP 201 Ca -0.11 0.03 -0.04 0.00 0.43 0.00 0.00 57.03 57.34 2ppw h ASP 201 Cb 1.03 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 39.69 2ppw h ASP 201 CO 0.70 0.33 0.12 -0.08 -1.57 0.00 0.00 179.24 178.75 2ppw h GLU 202 N 0.66 0.73 -0.15 3.56 4.81 -2.00 -2.27 114.58 119.92 2ppw h GLU 202 Ca 0.42 -0.17 -0.13 0.00 -0.13 0.00 0.00 59.36 59.35 2ppw h GLU 202 Cb 0.68 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.96 2ppw h GLU 202 CO -0.18 0.71 -0.41 0.28 -0.73 0.00 0.00 179.01 178.69 2ppw h VAL 203 N 0.61 1.35 -0.53 0.32 2.07 -1.87 -2.67 116.25 115.53 2ppw h VAL 203 Ca 0.15 -1.68 0.09 0.00 0.82 0.00 0.00 66.70 66.07 2ppw h VAL 203 Cb 0.30 2.02 -0.07 0.00 -1.52 0.00 0.00 31.29 32.02 2ppw h VAL 203 CO -0.00 0.51 0.14 0.00 0.02 0.00 0.00 177.57 178.24 2ppw h ALA 204 N 0.54 0.63 -0.77 1.67 0.00 -1.43 -1.21 119.26 118.69 2ppw h ALA 204 Ca -0.01 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2ppw h ALA 204 Cb 1.03 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 2ppw h ALA 204 CO 0.09 -0.27 0.32 0.00 0.00 0.00 0.00 179.25 179.39 2ppw h ALA 205 N 1.40 1.00 -0.46 0.00 0.00 -1.34 -0.44 119.26 119.41 2ppw h ALA 205 Ca 0.27 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 2ppw h ALA 205 Cb 0.35 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2ppw h ALA 205 CO -0.32 0.61 -0.16 -0.92 0.00 0.00 0.00 179.25 178.46 2ppw h TYR 206 N 1.11 0.99 0.00 0.00 3.20 -1.09 -3.19 116.97 117.98 2ppw h TYR 206 Ca 0.26 -0.21 -0.06 0.00 3.14 0.00 0.00 58.73 61.85 2ppw h TYR 206 Cb 0.19 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 2ppw h TYR 206 CO 0.02 0.97 -0.51 -0.07 -1.64 0.00 0.00 178.16 176.93 2ppw h LEU 207 N 0.78 0.00 -1.03 2.82 3.38 -0.92 -3.34 115.31 117.00 2ppw h LEU 207 Ca 0.12 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.17 2ppw h LEU 207 Cb 0.69 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.37 2ppw h LEU 207 CO 0.05 0.28 0.64 0.50 0.09 0.00 0.00 178.44 180.00 2ppw h LYS 208 N 0.00 1.09 -0.02 1.13 1.63 -1.07 -3.51 116.57 115.81 2ppw h LYS 208 Ca -0.02 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 2ppw h LYS 208 Cb 1.23 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 32.62 2ppw h LYS 208 CO 0.03 0.72 0.00 0.39 -3.45 0.00 0.00 179.45 177.14