#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 0.15 -0.11 0.00 1.02 -1.26 -4.66 119.74 114.88 2ppw s LYS 2 Ca 0.00 0.60 0.02 0.00 0.02 0.00 0.00 55.97 56.61 2ppw s LYS 2 Cb 0.00 -0.11 -0.01 0.00 -0.52 0.00 0.00 37.83 37.18 2ppw s LYS 2 CO 0.00 -0.23 -0.17 0.42 -0.92 0.00 0.00 175.35 174.46 2ppw s ILE 3 N 1.80 2.74 -0.10 2.17 -1.09 0.15 -0.28 121.20 126.59 2ppw s ILE 3 Ca -0.04 -0.79 -0.05 0.00 -2.23 0.00 0.00 60.65 57.54 2ppw s ILE 3 Cb -0.11 -2.11 -0.04 0.00 -1.58 0.00 0.00 42.46 38.62 2ppw s ILE 3 CO -0.08 0.55 0.11 0.00 -1.23 0.00 0.00 174.94 174.29 2ppw s ALA 4 N 0.15 3.75 -0.14 9.38 0.00 0.08 -0.07 121.76 134.90 2ppw s ALA 4 Ca -0.09 -0.70 -0.02 0.00 0.00 0.00 0.00 51.96 51.16 2ppw s ALA 4 Cb -0.15 -1.84 -0.02 0.00 0.00 0.00 0.00 23.12 21.10 2ppw s ALA 4 CO 0.05 0.63 -0.09 -1.17 0.00 0.00 0.00 175.76 175.18 2ppw s LEU 5 N -1.12 2.93 -0.26 0.00 2.96 -0.16 -0.46 118.68 122.57 2ppw s LEU 5 Ca 0.16 -0.25 -0.01 0.00 -0.22 0.00 0.00 54.13 53.81 2ppw s LEU 5 Cb -0.12 -1.68 0.08 0.00 0.50 0.00 0.00 46.19 44.97 2ppw s LEU 5 CO 0.05 0.17 0.05 -0.63 -1.32 0.00 0.00 176.35 174.67 2ppw s ILE 6 N 0.37 0.89 -0.04 6.68 1.01 -0.53 -0.74 121.20 128.85 2ppw s ILE 6 Ca -0.08 -1.13 -0.06 0.00 0.00 0.00 0.00 60.65 59.38 2ppw s ILE 6 Cb -0.15 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 2ppw s ILE 6 CO 0.04 -0.44 0.21 0.20 0.00 0.00 0.00 174.94 174.95 2ppw s ASN 7 N 1.64 6.43 0.33 3.58 0.01 -1.26 -4.11 114.94 121.56 2ppw s ASN 7 Ca 0.04 0.48 0.03 0.00 -0.71 0.00 0.00 52.86 52.70 2ppw s ASN 7 Cb -0.17 -2.06 0.05 0.00 0.41 0.00 0.00 41.25 39.47 2ppw s ASN 7 CO -0.17 0.31 0.38 -1.84 -1.51 0.00 0.00 177.10 174.27 2ppw n GLU 8 N 1.34 0.70 -0.07 -0.60 -0.00 -1.26 -4.69 120.64 116.05 2ppw n GLU 8 Ca -0.14 -1.37 -0.08 0.00 -0.00 0.00 0.00 57.16 55.57 2ppw n GLU 8 Cb 0.53 -0.15 -0.02 0.00 -0.00 0.00 0.00 31.44 31.80 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 -0.03 -0.92 -0.04 -1.84 -0.26 -1.47 -2.11 115.58 108.92 2ppw h ASN 9 Ca -0.13 0.16 -0.04 0.00 -0.56 0.00 0.00 56.30 55.73 2ppw h ASN 9 Cb 0.56 0.43 -0.01 0.00 -1.06 0.00 0.00 38.32 38.24 2ppw h ASN 9 CO 0.17 -0.30 -0.07 0.77 -1.06 0.00 0.00 177.43 176.94 2ppw h SER 10 N -0.26 0.25 -0.35 5.81 4.64 -1.96 -2.97 113.55 118.71 2ppw h SER 10 Ca 0.15 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2ppw h SER 10 Cb 0.50 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2ppw h SER 10 CO -0.45 0.36 0.00 0.00 -0.87 0.00 0.00 176.83 175.87 2ppw n GLN 11 N -4.31 2.87 -0.31 4.77 1.13 -1.13 -4.66 117.38 115.74 2ppw n GLN 11 Ca -0.00 -2.06 0.08 0.00 -1.94 0.00 0.00 57.00 53.08 2ppw n GLN 11 Cb 0.23 -1.27 0.29 0.00 0.11 0.00 0.00 30.24 29.60 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 2.04 1.62 0.00 -1.58 0.00 -1.21 -0.48 119.26 119.65 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 0.73 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2ppw h ALA 12 CO 0.00 0.17 -0.00 0.66 0.00 0.00 0.00 179.25 180.07 2ppw h SER 13 N 0.90 0.00 0.04 0.00 4.64 -1.83 -1.18 113.55 116.13 2ppw h SER 13 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 2ppw h SER 13 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2ppw h SER 13 CO -0.21 0.00 -0.29 0.29 -0.87 0.00 0.00 176.83 175.75 2ppw n LYS 14 N -3.13 1.40 -0.23 4.77 5.02 -0.20 -4.52 118.16 121.26 2ppw n LYS 14 Ca -0.02 -1.07 0.03 0.00 -2.02 0.00 0.00 58.31 55.23 2ppw n LYS 14 Cb 0.13 -1.48 0.15 0.00 -0.02 0.00 0.00 35.03 33.81 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 2.62 0.11 -0.70 4.39 -0.73 -1.11 -1.51 115.58 118.64 2ppw h ASN 15 Ca 0.00 0.12 0.10 0.00 1.87 0.00 0.00 56.30 58.38 2ppw h ASN 15 Cb 0.73 0.14 -0.07 0.00 0.27 0.00 0.00 38.32 39.38 2ppw h ASN 15 CO 0.00 0.04 0.33 1.12 -0.37 0.00 0.00 177.43 178.55 2ppw h HIS 16 N 0.33 0.59 -0.32 0.67 2.07 -1.79 0.39 115.15 117.09 2ppw h HIS 16 Ca 0.37 0.03 -0.05 0.00 -2.85 0.00 0.00 60.37 57.87 2ppw h HIS 16 Cb 0.57 -0.16 -0.01 0.00 2.57 0.00 0.00 27.41 30.38 2ppw h HIS 16 CO -0.22 0.20 0.02 0.82 -3.07 0.00 0.00 177.93 175.68 2ppw h ILE 17 N 0.56 1.25 -0.26 6.12 2.04 -1.70 -1.21 117.51 124.31 2ppw h ILE 17 Ca 0.35 -0.92 -0.05 0.00 1.00 0.00 0.00 64.86 65.23 2ppw h ILE 17 Cb 0.38 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 2ppw h ILE 17 CO -0.28 0.30 -0.05 0.40 0.00 0.00 0.00 178.15 178.52 2ppw h ILE 18 N 0.37 1.28 -0.12 -0.67 2.04 -0.75 -1.89 117.51 117.77 2ppw h ILE 18 Ca 0.09 -1.04 0.02 0.00 1.00 0.00 0.00 64.86 64.93 2ppw h ILE 18 Cb 0.42 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 2ppw h ILE 18 CO 0.01 0.33 0.00 0.22 0.00 0.00 0.00 178.15 178.71 2ppw h TYR 19 N 0.25 -0.00 -0.74 1.37 3.20 -0.23 -0.50 116.97 120.31 2ppw h TYR 19 Ca 0.07 0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.07 2ppw h TYR 19 Cb 0.51 0.02 -0.08 0.00 1.54 0.00 0.00 36.73 38.71 2ppw h TYR 19 CO 0.05 -0.01 0.34 -0.44 -1.64 0.00 0.00 178.16 176.45 2ppw h ASP 20 N 0.04 0.39 -0.23 -2.11 3.32 -1.10 0.27 116.42 116.99 2ppw h ASP 20 Ca 0.05 0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.12 2ppw h ASP 20 Cb 0.06 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2ppw h ASP 20 CO -0.09 0.19 -0.14 0.28 -1.72 0.00 0.00 179.24 177.76 2ppw h SER 21 N 0.53 0.52 -0.61 6.45 0.02 -1.01 -2.65 113.55 116.80 2ppw h SER 21 Ca 0.39 -0.43 -0.04 0.00 -0.84 0.00 0.00 61.79 60.87 2ppw h SER 21 Cb 0.51 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 2ppw h SER 21 CO -0.34 0.84 0.22 0.25 -1.14 0.00 0.00 176.83 176.66 2ppw h LEU 22 N 0.21 0.86 -1.44 5.07 5.85 -0.72 -3.02 115.31 122.13 2ppw h LEU 22 Ca 0.05 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 2ppw h LEU 22 Cb 0.65 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 2ppw h LEU 22 CO 0.04 0.82 -0.28 0.50 -0.34 0.00 0.00 178.44 179.18 2ppw h LYS 23 N 0.86 0.00 -0.48 1.25 3.64 -0.41 -0.04 116.57 121.39 2ppw h LYS 23 Ca 0.20 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 2ppw h LYS 23 Cb 0.24 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 2ppw h LYS 23 CO -0.01 0.28 0.24 1.49 -2.27 0.00 0.00 179.45 179.18 2ppw h GLU 24 N 0.00 0.68 -0.21 1.90 4.81 -1.35 0.72 114.58 121.13 2ppw h GLU 24 Ca -0.00 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 2ppw h GLU 24 Cb 0.50 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 2ppw h GLU 24 CO 0.04 0.55 0.01 0.00 -0.73 0.00 0.00 179.01 178.88 2ppw h ALA 25 N 1.09 0.29 -0.25 2.92 0.00 -1.30 -2.76 119.26 119.25 2ppw h ALA 25 Ca 0.17 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 2ppw h ALA 25 Cb 0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2ppw h ALA 25 CO -0.02 -0.00 -0.40 1.79 0.00 0.00 0.00 179.25 180.61 2ppw h THR 26 N 0.14 1.30 -0.70 0.00 1.35 -0.90 -2.20 112.91 111.90 2ppw h THR 26 Ca 0.06 -1.57 0.00 0.00 -0.55 0.00 0.00 66.41 64.35 2ppw h THR 26 Cb 0.38 1.55 -0.03 0.00 -1.73 0.00 0.00 68.15 68.31 2ppw h THR 26 CO 0.01 0.50 0.44 0.44 -0.25 0.00 0.00 175.52 176.66 2ppw h ASP 27 N 0.48 0.83 -0.61 5.36 3.32 -0.90 0.90 116.42 125.79 2ppw h ASP 27 Ca 0.04 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.07 2ppw h ASP 27 Cb 0.91 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.22 2ppw h ASP 27 CO 0.08 0.63 0.38 0.50 -1.72 0.00 0.00 179.24 179.11 2ppw h LYS 28 N 0.95 0.74 0.00 3.56 3.64 -1.17 -2.52 116.57 121.78 2ppw h LYS 28 Ca 0.25 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2ppw h LYS 28 Cb -0.06 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.59 2ppw h LYS 28 CO -0.05 0.49 0.00 1.63 -2.27 0.00 0.00 179.45 179.25 2ppw n LYS 29 N -4.71 0.14 -1.64 1.90 4.76 -0.86 -4.92 118.16 112.84 2ppw n LYS 29 Ca 0.05 0.17 -0.05 0.00 -2.87 0.00 0.00 58.31 55.61 2ppw n LYS 29 Cb 0.06 -1.68 -0.01 0.00 -1.84 0.00 0.00 35.03 31.55 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 1.08 0.46 3.92 0.72 0.00 -0.39 -4.93 105.19 106.06 2ppw n GLY 30 Ca 0.05 -0.75 -0.26 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.23 3.30 -0.25 1.61 2.02 0.17 -4.53 117.35 117.45 2ppw s TYR 31 Ca 0.00 0.62 -0.10 0.00 -0.37 0.00 0.00 57.07 57.22 2ppw s TYR 31 Cb 0.00 -2.61 -0.05 0.00 -0.40 0.00 0.00 41.96 38.90 2ppw s TYR 31 CO 0.00 -0.67 0.16 -0.65 -1.57 0.00 0.00 175.55 172.81 2ppw s GLN 32 N -4.89 4.00 -0.18 -0.62 -0.21 -1.26 -4.55 119.66 111.94 2ppw s GLN 32 Ca 0.52 -0.30 -0.06 0.00 0.02 0.00 0.00 55.36 55.54 2ppw s GLN 32 Cb -0.10 -3.54 -0.03 0.00 1.00 0.00 0.00 33.01 30.33 2ppw s GLN 32 CO 0.44 -0.01 0.03 -1.17 -2.12 0.00 0.00 175.29 172.46 2ppw s LEU 33 N 1.26 3.56 -0.23 2.90 2.96 -1.26 0.30 118.68 128.17 2ppw s LEU 33 Ca 0.07 -0.04 0.01 0.00 -0.22 0.00 0.00 54.13 53.95 2ppw s LEU 33 Cb -0.14 -1.90 0.03 0.00 0.50 0.00 0.00 46.19 44.69 2ppw s LEU 33 CO 0.06 0.14 -0.12 -0.36 -1.32 0.00 0.00 176.35 174.75 2ppw s PHE 34 N 0.56 3.03 -0.84 5.38 0.08 0.89 -4.96 117.98 122.13 2ppw s PHE 34 Ca 0.01 -1.83 -0.23 0.00 0.12 0.00 0.00 56.93 55.01 2ppw s PHE 34 Cb -0.13 -1.97 0.07 0.00 -0.57 0.00 0.00 43.02 40.42 2ppw s PHE 34 CO 0.02 -0.80 1.20 1.21 -0.10 0.00 0.00 175.22 176.74 2ppw s ASN 35 N 1.24 6.38 -0.02 1.36 2.47 -1.26 -0.99 114.94 124.12 2ppw s ASN 35 Ca -0.01 -1.28 0.17 0.00 0.42 0.00 0.00 52.86 52.16 2ppw s ASN 35 Cb -0.16 -2.48 -0.19 0.00 -1.45 0.00 0.00 41.25 36.96 2ppw s ASN 35 CO -0.07 -1.44 0.61 -1.22 -3.72 0.00 0.00 177.10 171.26 2ppw n TYR 36 N 8.06 0.70 0.00 0.43 4.02 0.08 -4.89 117.16 125.58 2ppw n TYR 36 Ca 0.15 0.24 0.00 0.00 -0.01 0.00 0.00 57.90 58.28 2ppw n TYR 36 Cb 0.49 -1.03 0.00 0.00 -0.02 0.00 0.00 39.34 38.77 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 1.48 -0.22 0.00 2.72 0.00 -1.01 -4.40 105.19 103.76 2ppw n GLY 37 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.83 0.00 -1.96 1.61 5.12 -1.26 -4.79 116.66 113.55 2ppw n ARG 39 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2ppw n ARG 39 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2ppw n ARG 39 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2ppw n GLY 40 N 0.00 0.56 3.69 -0.13 0.00 -1.14 -4.45 105.19 103.73 2ppw n GLY 40 Ca 0.00 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 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 -3.97 3.51 0.28 1.61 2.02 -1.26 -4.86 118.70 116.03 2ppw s GLU 41 Ca 0.00 -0.33 -0.30 0.00 0.02 0.00 0.00 54.97 54.35 2ppw s GLU 41 Cb 0.00 -3.04 -0.12 0.00 0.10 0.00 0.00 34.13 31.06 2ppw s GLU 41 CO 0.00 0.52 1.48 0.39 0.02 0.00 0.00 175.26 177.67 2ppw n GLU 42 N 2.74 2.37 -0.99 1.61 1.02 -1.26 -2.59 120.64 123.54 2ppw n GLU 42 Ca -0.18 0.84 0.00 0.00 -0.02 0.00 0.00 57.16 57.80 2ppw n GLU 42 Cb 0.53 -2.54 0.00 0.00 -0.02 0.00 0.00 31.44 29.41 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 1.86 0.96 3.77 0.62 0.00 -1.26 -5.02 105.19 106.12 2ppw n GLY 43 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.01 2.50 0.48 1.61 -1.05 -1.07 -4.97 118.70 116.19 2ppw s GLU 44 Ca 0.00 1.25 -0.24 0.00 -0.15 0.00 0.00 54.97 55.84 2ppw s GLU 44 Cb 0.00 -1.92 -0.07 0.00 -0.44 0.00 0.00 34.13 31.70 2ppw s GLU 44 CO 0.00 -1.47 1.30 -1.54 0.95 0.00 0.00 175.26 174.50 2ppw s SER 45 N -3.08 5.84 0.30 0.83 1.04 -1.26 -5.00 113.70 112.38 2ppw s SER 45 Ca 0.63 2.64 -0.08 0.00 0.48 0.00 0.00 55.95 59.62 2ppw s SER 45 Cb -0.18 -2.63 -0.06 0.00 0.10 0.00 0.00 66.02 63.25 2ppw s SER 45 CO 0.50 -1.17 0.61 -1.10 0.98 0.00 0.00 173.24 173.06 2ppw s GLN 46 N -2.63 3.72 -0.01 4.02 -0.21 -1.26 -4.98 119.66 118.31 2ppw s GLN 46 Ca 0.64 0.20 0.01 0.00 0.02 0.00 0.00 55.36 56.23 2ppw s GLN 46 Cb -0.37 -2.58 0.01 0.00 1.00 0.00 0.00 33.01 31.07 2ppw s GLN 46 CO 0.46 0.18 -0.01 -0.51 -2.12 0.00 0.00 175.29 173.28 2ppw s LEU 47 N -3.43 1.62 0.58 2.90 1.43 -1.26 -4.82 118.68 115.71 2ppw s LEU 47 Ca 0.47 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.54 2ppw s LEU 47 Cb -0.11 -0.17 0.05 0.00 0.03 0.00 0.00 46.19 45.99 2ppw s LEU 47 CO 0.28 -0.03 0.81 0.42 0.23 0.00 0.00 176.35 178.06 2ppw s THR 48 N 0.43 2.58 0.53 5.49 -4.23 -1.26 -1.13 115.64 118.04 2ppw s THR 48 Ca -0.04 -0.66 0.30 0.00 -1.18 0.00 0.00 61.69 60.10 2ppw s THR 48 Cb -0.07 -2.92 0.34 0.00 1.34 0.00 0.00 72.50 71.19 2ppw s THR 48 CO -0.01 0.00 2.19 0.10 -0.54 0.00 0.00 174.62 176.36 2ppw h TYR 49 N -0.01 0.00 -0.10 3.99 -0.00 -1.94 -1.20 116.97 117.71 2ppw h TYR 49 Ca -0.41 0.00 -0.22 0.00 0.00 0.00 0.00 58.73 58.10 2ppw h TYR 49 Cb 1.29 0.00 0.01 0.00 0.00 0.00 0.00 36.73 38.04 2ppw h TYR 49 CO 0.29 0.05 -0.81 0.28 -0.00 0.00 0.00 178.16 177.97 2ppw h VAL 50 N 0.00 1.29 -0.24 -0.90 2.07 -1.94 -2.95 116.25 113.59 2ppw h VAL 50 Ca -0.00 -2.03 -0.03 0.00 0.82 0.00 0.00 66.70 65.46 2ppw h VAL 50 Cb 0.13 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 2ppw h VAL 50 CO 0.01 0.63 0.00 1.56 0.02 0.00 0.00 177.57 179.79 2ppw h GLN 51 N 0.42 0.35 -0.89 1.57 4.20 -1.75 -1.94 115.11 117.07 2ppw h GLN 51 Ca -0.07 -0.06 0.15 0.00 0.06 0.00 0.00 58.65 58.73 2ppw h GLN 51 Cb 1.45 -0.06 -0.09 0.00 0.30 0.00 0.00 27.48 29.08 2ppw h GLN 51 CO 0.16 0.37 0.49 -0.91 -0.67 0.00 0.00 178.83 178.27 2ppw h ASN 52 N 0.34 0.62 -0.13 1.46 4.21 -1.08 -2.75 115.58 118.26 2ppw h ASN 52 Ca 0.08 0.08 -0.01 0.00 1.21 0.00 0.00 56.30 57.66 2ppw h ASN 52 Cb 0.23 -0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 37.40 2ppw h ASN 52 CO 0.00 0.27 0.03 1.23 -1.29 0.00 0.00 177.43 177.68 2ppw h GLY 53 N 0.70 0.22 -1.26 2.83 0.00 -1.25 -0.84 103.07 103.47 2ppw h GLY 53 Ca 0.48 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.67 2ppw h GLY 53 CO -0.35 0.13 0.00 -0.10 0.00 0.00 0.00 176.54 176.22 2ppw n LEU 54 N -4.85 0.00 0.00 3.11 7.94 -1.04 -1.20 117.00 120.96 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 0.15 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.10 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 0.58 0.00 -0.15 1.96 0.00 -0.32 -1.72 120.51 120.86 2ppw n ALA 56 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 2ppw n ALA 56 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 0.58 -0.36 0.00 0.00 -1.41 0.27 119.26 118.33 2ppw h ALA 57 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2ppw h ALA 57 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2ppw h ALA 57 CO 0.00 0.09 0.15 0.82 0.00 0.00 0.00 179.25 180.30 2ppw h ILE 58 N 0.59 1.19 -0.36 0.00 2.04 -1.60 -0.63 117.51 118.74 2ppw h ILE 58 Ca 0.16 -0.57 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 2ppw h ILE 58 Cb 0.03 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 2ppw h ILE 58 CO -0.03 0.20 0.10 -0.07 0.00 0.00 0.00 178.15 178.36 2ppw h LEU 59 N 0.44 0.54 -0.02 1.44 3.38 -1.76 -2.88 115.31 116.44 2ppw h LEU 59 Ca 0.12 -0.22 -0.16 0.00 0.09 0.00 0.00 57.88 57.72 2ppw h LEU 59 Cb 0.18 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.80 2ppw h LEU 59 CO -0.01 0.61 -0.59 -0.07 0.09 0.00 0.00 178.44 178.47 2ppw h LEU 60 N 0.43 0.56 -1.43 1.67 3.38 -0.43 -0.49 115.31 119.02 2ppw h LEU 60 Ca 0.12 -0.73 -0.06 0.00 0.09 0.00 0.00 57.88 57.30 2ppw h LEU 60 Cb 0.27 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2ppw h LEU 60 CO -0.00 1.22 -0.28 0.78 0.09 0.00 0.00 178.44 180.25 2ppw h ASN 61 N -0.04 0.00 0.01 -0.43 4.21 -1.20 -2.10 115.58 116.03 2ppw h ASN 61 Ca -0.07 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.44 2ppw h ASN 61 Cb 1.28 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.48 2ppw h ASN 61 CO 0.12 0.28 -0.04 0.35 -1.29 0.00 0.00 177.43 176.85 2ppw n THR 62 N -3.88 0.00 -1.79 2.81 -2.24 -1.09 -4.92 114.28 103.17 2ppw n THR 62 Ca -0.02 -0.27 -0.18 0.00 -2.27 0.00 0.00 64.05 61.32 2ppw n THR 62 Cb 0.36 0.63 -0.05 0.00 -2.10 0.00 0.00 70.33 69.16 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 0.23 -1.30 0.09 -0.78 5.02 -0.79 -0.42 118.16 120.21 2ppw n LYS 63 Ca 0.17 1.04 0.01 0.00 -2.02 0.00 0.00 58.31 57.52 2ppw n LYS 63 Cb 0.39 -5.37 0.35 0.00 -0.02 0.00 0.00 35.03 30.38 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 0.28 1.44 -2.31 7.82 0.00 -1.23 -3.43 119.26 121.82 2ppw h ALA 64 Ca -0.38 -0.22 -0.31 0.00 0.00 0.00 0.00 54.91 54.00 2ppw h ALA 64 Cb 1.21 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.76 2ppw h ALA 64 CO 0.52 0.39 -0.65 0.14 0.00 0.00 0.00 179.25 179.66 2ppw s VAL 65 N -4.72 0.62 -0.11 0.00 -7.23 -1.12 -4.81 120.40 103.03 2ppw s VAL 65 Ca -0.06 -1.99 0.20 0.00 -1.81 0.00 0.00 61.98 58.32 2ppw s VAL 65 Cb 0.15 -2.30 -0.27 0.00 0.56 0.00 0.00 36.38 34.52 2ppw s VAL 65 CO 0.74 -0.30 0.39 0.47 -0.31 0.00 0.00 175.10 176.09 2ppw n ASP 66 N -0.32 0.13 -3.77 4.85 8.00 0.61 -4.48 116.55 121.58 2ppw n ASP 66 Ca -0.04 0.06 -0.13 0.00 0.71 0.00 0.00 54.79 55.39 2ppw n ASP 66 Cb 0.64 1.36 -0.12 0.00 -0.02 0.00 0.00 41.12 42.99 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 -3.07 -0.30 -0.16 1.24 5.36 -0.92 -4.81 117.98 115.31 2ppw s PHE 67 Ca -0.08 0.73 -0.01 0.00 -0.96 0.00 0.00 56.93 56.61 2ppw s PHE 67 Cb 0.10 0.09 -0.01 0.00 -0.34 0.00 0.00 43.02 42.86 2ppw s PHE 67 CO 0.86 -0.16 -0.10 0.08 -1.46 0.00 0.00 175.22 174.44 2ppw s VAL 68 N 0.39 3.14 -0.18 3.12 1.01 -0.00 -0.74 120.40 127.13 2ppw s VAL 68 Ca -0.02 -0.61 -0.09 0.00 0.00 0.00 0.00 61.98 61.26 2ppw s VAL 68 Cb -0.04 -2.36 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 2ppw s VAL 68 CO -0.02 0.49 0.12 -0.69 0.00 0.00 0.00 175.10 175.01 2ppw s VAL 69 N 0.74 5.34 0.00 2.92 1.01 0.39 -0.76 120.40 130.04 2ppw s VAL 69 Ca -0.05 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.09 2ppw s VAL 69 Cb -0.15 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.82 2ppw s VAL 69 CO 0.02 0.49 0.00 1.07 0.00 0.00 0.00 175.10 176.67 2ppw n THR 70 N 3.16 0.00 -3.70 3.92 5.66 -0.03 -1.45 114.28 121.83 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 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 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 -1.15 0.00 1.09 0.00 -1.26 -1.87 105.19 102.01 2ppw n GLY 71 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.05 0.00 0.00 0.00 -1.92 0.29 103.07 101.39 2ppw h GLY 73 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.46 2ppw h GLY 73 CO 0.00 -0.12 -1.13 -1.30 0.00 0.00 0.00 176.54 173.99 2ppw n THR 74 N -5.25 0.00 0.00 4.70 -2.24 -1.26 -1.52 114.28 108.71 2ppw n THR 74 Ca -0.04 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 2ppw n THR 74 Cb 0.17 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 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 1.46 2.50 0.11 3.38 0.00 -1.24 -3.69 105.19 107.70 2ppw n GLY 75 Ca 0.01 0.00 -0.14 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 1.43 -0.02 1.61 2.07 -1.93 -3.32 116.25 116.10 2ppw h VAL 76 Ca 0.00 -1.55 0.03 0.00 0.82 0.00 0.00 66.70 66.00 2ppw h VAL 76 Cb 0.00 2.30 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 2ppw h VAL 76 CO 0.00 0.43 -0.17 1.23 0.02 0.00 0.00 177.57 179.08 2ppw h GLY 77 N -0.29 -0.20 -1.46 2.17 0.00 -1.97 0.54 103.07 101.85 2ppw h GLY 77 Ca -0.00 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.53 2ppw h GLY 77 CO 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 176.54 176.41 2ppw n ALA 78 N -2.53 0.98 0.00 3.60 0.00 -1.25 -1.36 120.51 119.95 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 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 0.60 0.00 -0.04 0.00 4.77 0.18 -0.98 117.00 121.54 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 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 2ppw n LEU 80 CO 0.00 0.00 0.64 0.00 -1.33 0.00 0.00 177.39 176.70 2ppw h ALA 81 N 0.00 0.12 -0.70 -1.18 0.00 -1.47 -3.12 119.26 112.92 2ppw h ALA 81 Ca 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2ppw h ALA 81 Cb 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2ppw h ALA 81 CO 0.00 -0.08 0.42 -0.07 0.00 0.00 0.00 179.25 179.52 2ppw h LEU 82 N -0.21 0.84 -1.12 0.00 4.07 -1.32 -2.65 115.31 114.91 2ppw h LEU 82 Ca 0.02 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.91 2ppw h LEU 82 Cb 0.55 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.08 2ppw h LEU 82 CO 0.02 0.65 0.00 0.78 -1.08 0.00 0.00 178.44 178.81 2ppw h ASN 83 N 0.95 0.00 0.44 -0.43 4.21 -1.79 -2.72 115.58 116.25 2ppw h ASN 83 Ca 0.25 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.76 2ppw h ASN 83 Cb -0.03 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.17 2ppw h ASN 83 CO -0.05 0.00 0.00 -1.20 -1.29 0.00 0.00 177.43 174.89 2ppw n SER 84 N -2.43 0.00 -4.80 5.81 7.64 -1.00 -4.85 113.62 113.99 2ppw n SER 84 Ca 0.01 0.08 -0.30 0.00 1.01 0.00 0.00 58.87 59.67 2ppw n SER 84 Cb 0.19 -0.32 -0.06 0.00 -1.01 0.00 0.00 64.21 63.01 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 -2.65 3.23 0.50 1.43 0.08 -1.03 -4.97 117.98 114.58 2ppw s PHE 85 Ca 0.18 0.08 -0.23 0.00 0.12 0.00 0.00 56.93 57.08 2ppw s PHE 85 Cb 0.14 -1.62 -0.07 0.00 -0.57 0.00 0.00 43.02 40.90 2ppw s PHE 85 CO 0.32 0.53 1.35 -0.35 -0.10 0.00 0.00 175.22 176.97 2ppw n PRO 86 N 0.27 1.87 -1.00 0.24 -0.04 -1.26 -3.33 135.00 131.75 2ppw n PRO 86 Ca -0.08 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.06 2ppw n PRO 86 Cb 0.52 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 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 0.74 0.28 3.03 0.55 0.00 -1.26 -4.88 105.19 103.65 2ppw n GLY 87 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.57 1.61 -0.31 1.61 1.01 -1.21 -4.78 120.40 116.76 2ppw s VAL 88 Ca 0.00 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.35 2ppw s VAL 88 Cb 0.00 -1.50 0.09 0.00 0.00 0.00 0.00 36.38 34.97 2ppw s VAL 88 CO 0.00 0.47 0.00 -0.69 0.00 0.00 0.00 175.10 174.88 2ppw s VAL 89 N 1.41 2.14 -0.27 2.92 1.01 -1.26 -4.50 120.40 121.84 2ppw s VAL 89 Ca 0.04 -2.05 -0.02 0.00 0.00 0.00 0.00 61.98 59.95 2ppw s VAL 89 Cb -0.13 -2.48 0.03 0.00 0.00 0.00 0.00 36.38 33.80 2ppw s VAL 89 CO -0.10 -0.42 -0.03 0.00 0.00 0.00 0.00 175.10 174.55 2ppw s GLY 91 N 1.31 1.71 -0.04 0.00 0.00 -0.62 -4.84 107.32 104.83 2ppw s GLY 91 Ca -0.02 -0.99 0.02 0.00 0.00 0.00 0.00 44.72 43.73 2ppw s GLY 91 CO -0.03 -0.32 -0.11 -2.27 0.00 0.00 0.00 173.10 170.38 2ppw s LEU 92 N -5.83 1.68 -0.00 0.66 2.96 -1.26 -0.97 118.68 115.92 2ppw s LEU 92 Ca 0.70 -0.24 0.02 0.00 -0.22 0.00 0.00 54.13 54.39 2ppw s LEU 92 Cb -0.07 -0.69 -0.01 0.00 0.50 0.00 0.00 46.19 45.93 2ppw s LEU 92 CO 0.52 0.05 -0.07 0.00 -1.32 0.00 0.00 176.35 175.52 2ppw s ALA 93 N 0.45 0.62 -0.03 5.97 0.00 -0.93 -4.98 121.76 122.86 2ppw s ALA 93 Ca -0.09 -0.34 0.04 0.00 0.00 0.00 0.00 51.96 51.57 2ppw s ALA 93 Cb -0.12 -0.15 -0.05 0.00 0.00 0.00 0.00 23.12 22.80 2ppw s ALA 93 CO 0.02 0.14 0.09 1.33 0.00 0.00 0.00 175.76 177.34 2ppw n VAL 94 N 2.83 0.00 -4.32 0.00 0.24 -1.26 -4.28 118.33 111.54 2ppw n VAL 94 Ca -0.14 -0.14 -0.17 0.00 -2.04 0.00 0.00 64.34 61.86 2ppw n VAL 94 Cb 0.57 0.52 -0.10 0.00 -1.47 0.00 0.00 33.84 33.37 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 -2.21 1.36 0.25 -1.34 1.47 -1.26 -5.02 116.67 109.92 2ppw s ASP 95 Ca -0.01 -1.34 -0.05 0.00 1.18 0.00 0.00 52.55 52.33 2ppw s ASP 95 Cb 0.02 0.12 0.34 0.00 -0.34 0.00 0.00 42.92 43.06 2ppw s ASP 95 CO 0.15 -0.68 1.87 -0.65 0.68 0.00 0.00 175.17 176.54 2ppw h PRO 96 N 2.41 1.04 -0.51 2.11 0.11 -1.89 -2.60 132.00 132.67 2ppw h PRO 96 Ca -0.38 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.60 2ppw h PRO 96 Cb 1.24 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 2ppw h PRO 96 CO 0.62 0.69 0.04 1.15 -0.21 0.00 0.00 178.00 180.30 2ppw h THR 97 N 1.08 1.24 -0.73 -1.15 2.02 -1.97 -1.10 112.91 112.29 2ppw h THR 97 Ca 0.39 -0.96 0.07 0.00 0.77 0.00 0.00 66.41 66.68 2ppw h THR 97 Cb 0.12 0.80 -0.06 0.00 -1.74 0.00 0.00 68.15 67.27 2ppw h THR 97 CO -0.16 0.34 0.41 0.44 0.37 0.00 0.00 175.52 176.92 2ppw h ASP 98 N 0.78 0.59 -0.66 4.18 3.32 -1.90 0.31 116.42 123.04 2ppw h ASP 98 Ca 0.16 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.19 2ppw h ASP 98 Cb 0.41 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 2ppw h ASP 98 CO 0.01 0.36 0.19 0.00 -1.72 0.00 0.00 179.24 178.09 2ppw h ALA 99 N 1.39 0.87 0.04 3.45 0.00 -1.00 -0.04 119.26 123.98 2ppw h ALA 99 Ca 0.34 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2ppw h ALA 99 Cb 0.26 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2ppw h ALA 99 CO -0.21 0.56 -0.02 -0.92 0.00 0.00 0.00 179.25 178.66 2ppw h TYR 100 N 0.97 -0.05 -0.90 0.00 3.20 -0.87 -2.29 116.97 117.03 2ppw h TYR 100 Ca 0.21 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.10 2ppw h TYR 100 Cb 0.32 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.56 2ppw h TYR 100 CO 0.02 0.15 0.60 -0.07 -1.64 0.00 0.00 178.16 177.22 2ppw h LEU 101 N -0.24 1.02 -0.35 2.82 3.38 -0.87 -2.28 115.31 118.79 2ppw h LEU 101 Ca -0.01 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 57.99 2ppw h LEU 101 Cb 0.22 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 2ppw h LEU 101 CO 0.01 0.73 0.10 0.22 0.09 0.00 0.00 178.44 179.58 2ppw h TYR 102 N 1.20 0.17 -0.24 1.13 3.20 -0.89 0.17 116.97 121.71 2ppw h TYR 102 Ca 0.34 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.17 2ppw h TYR 102 Cb -0.10 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 2ppw h TYR 102 CO -0.01 0.05 -0.09 0.66 -1.64 0.00 0.00 178.16 177.13 2ppw h SER 103 N 0.23 0.37 0.20 -2.11 4.64 -0.87 -0.40 113.55 115.59 2ppw h SER 103 Ca 0.16 -0.08 -0.35 0.00 -0.47 0.00 0.00 61.79 61.05 2ppw h SER 103 Cb 0.16 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 2ppw h SER 103 CO -0.19 0.50 -1.88 1.56 -0.87 0.00 0.00 176.83 175.95 2ppw h GLN 104 N 0.37 0.28 0.01 4.77 1.08 -1.10 0.26 115.11 120.77 2ppw h GLN 104 Ca 0.07 -0.48 -0.19 0.00 -1.45 0.00 0.00 58.65 56.61 2ppw h GLN 104 Cb 0.39 0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.97 2ppw h GLN 104 CO 0.02 1.18 -1.03 0.82 -0.95 0.00 0.00 178.83 178.87 2ppw h ILE 105 N 0.08 1.09 0.02 2.54 2.04 -1.02 0.13 117.51 122.38 2ppw h ILE 105 Ca -0.38 -2.22 -0.33 0.00 1.00 0.00 0.00 64.86 62.93 2ppw h ILE 105 Cb 2.05 2.47 -0.04 0.00 -0.74 0.00 0.00 36.82 40.55 2ppw h ILE 105 CO 0.12 0.39 -1.82 0.59 0.00 0.00 0.00 178.15 177.43 2ppw n ASN 106 N -4.44 1.93 -2.42 1.72 3.02 -0.79 -4.69 115.26 109.59 2ppw n ASN 106 Ca -0.28 0.33 -0.19 0.00 -0.03 0.00 0.00 54.58 54.41 2ppw n ASN 106 Cb 0.65 -0.87 0.01 0.00 -0.61 0.00 0.00 39.78 38.96 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 1.51 -0.40 0.91 7.41 0.00 -0.23 -4.87 105.19 109.52 2ppw n GLY 107 Ca -0.40 -0.03 -0.07 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.23 -2.05 0.78 -0.02 0.00 -1.26 -4.79 105.19 96.62 2ppw n GLY 108 Ca -0.17 -1.54 0.07 0.00 0.00 0.00 0.00 46.02 44.38 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 -3.38 3.16 -3.74 1.61 0.23 -0.93 -4.98 115.26 107.23 2ppw n ASN 109 Ca 0.04 -2.03 -0.11 0.00 -0.53 0.00 0.00 54.58 51.95 2ppw n ASN 109 Cb 0.15 -0.29 -0.07 0.00 -2.08 0.00 0.00 39.78 37.49 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 -1.05 -0.69 -0.07 -2.53 0.00 -0.58 -0.82 121.76 116.01 2ppw s ALA 110 Ca 0.29 -0.08 -0.04 0.00 0.00 0.00 0.00 51.96 52.13 2ppw s ALA 110 Cb 0.15 0.43 0.04 0.00 0.00 0.00 0.00 23.12 23.74 2ppw s ALA 110 CO 0.19 -0.48 0.16 -1.17 0.00 0.00 0.00 175.76 174.46 2ppw s LEU 111 N -2.34 0.79 -0.02 0.00 2.96 0.06 -1.60 118.68 118.54 2ppw s LEU 111 Ca -0.02 0.34 0.01 0.00 -0.22 0.00 0.00 54.13 54.24 2ppw s LEU 111 Cb 0.01 0.45 -0.03 0.00 0.50 0.00 0.00 46.19 47.11 2ppw s LEU 111 CO -0.06 -0.13 -0.02 -0.55 -1.32 0.00 0.00 176.35 174.27 2ppw s SER 112 N 1.00 5.01 0.00 3.68 0.15 -0.14 -0.85 113.70 122.55 2ppw s SER 112 Ca -0.08 -0.01 0.02 0.00 0.70 0.00 0.00 55.95 56.58 2ppw s SER 112 Cb -0.10 -1.30 -0.01 0.00 -1.71 0.00 0.00 66.02 62.91 2ppw s SER 112 CO -0.05 0.30 -0.07 -0.63 1.20 0.00 0.00 173.24 173.99 2ppw s ILE 113 N -1.02 0.53 0.06 6.45 1.01 -0.78 -2.19 121.20 125.26 2ppw s ILE 113 Ca 0.18 -0.38 -0.31 0.00 0.00 0.00 0.00 60.65 60.14 2ppw s ILE 113 Cb -0.11 -0.47 -0.07 0.00 0.01 0.00 0.00 42.46 41.82 2ppw s ILE 113 CO 0.08 0.09 1.47 -2.16 0.00 0.00 0.00 174.94 174.42 2ppw s PRO 114 N -0.33 4.27 0.00 2.79 0.04 -1.24 -3.37 135.00 137.16 2ppw s PRO 114 Ca 0.01 2.11 0.14 0.00 0.04 0.00 0.00 61.00 63.31 2ppw s PRO 114 Cb -0.03 -3.45 0.13 0.00 0.04 0.00 0.00 34.50 31.19 2ppw s PRO 114 CO -0.00 -0.57 0.98 0.66 0.04 0.00 0.00 177.00 178.11 2ppw n TYR 115 N 4.88 0.04 0.03 0.56 4.01 0.09 -4.79 117.16 121.98 2ppw n TYR 115 Ca 0.13 -0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 2ppw n TYR 115 Cb 0.42 -0.00 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 0.82 3.00 -1.98 -0.72 0.00 -0.73 -4.77 120.51 116.13 2ppw n ALA 116 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.11 2ppw n ALA 116 Cb 0.37 0.32 -0.03 0.00 0.00 0.00 0.00 19.45 20.11 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 4.22 0.00 0.00 2.36 -0.58 -1.51 119.74 122.23 2ppw s LYS 117 Ca 0.00 2.27 0.00 0.00 -2.55 0.00 0.00 55.97 55.69 2ppw s LYS 117 Cb 0.00 -3.49 0.00 0.00 -1.05 0.00 0.00 37.83 33.29 2ppw s LYS 117 CO 0.00 -0.67 0.00 0.41 1.55 0.00 0.00 175.35 176.64 2ppw n GLY 118 N 3.87 0.66 3.38 5.54 0.00 -1.26 -4.89 105.19 112.49 2ppw n GLY 118 Ca 0.15 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.88 3.69 0.00 1.61 5.36 -0.57 -4.92 117.98 120.27 2ppw s PHE 119 Ca 0.00 -2.01 0.00 0.00 -0.96 0.00 0.00 56.93 53.96 2ppw s PHE 119 Cb 0.00 -3.99 0.00 0.00 -0.34 0.00 0.00 43.02 38.69 2ppw s PHE 119 CO 0.00 -1.15 0.00 0.41 -1.46 0.00 0.00 175.22 173.02 2ppw n GLY 120 N 4.09 3.87 3.73 13.12 0.00 -1.26 -4.90 105.19 123.84 2ppw n GLY 120 Ca 0.21 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 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 3.89 3.35 0.00 1.61 -0.00 -1.26 -2.43 118.94 124.10 2ppw s TRP 121 Ca 0.00 1.27 0.00 0.00 -0.00 0.00 0.00 56.10 57.37 2ppw s TRP 121 Cb 0.00 -3.52 0.00 0.00 -0.00 0.00 0.00 33.47 29.95 2ppw s TRP 121 CO 0.00 -1.60 0.00 0.41 -0.00 0.00 0.00 176.95 175.76 2ppw n GLY 122 N 2.61 0.69 0.28 5.86 0.00 -1.26 -4.91 105.19 108.45 2ppw n GLY 122 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.16 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 1.95 -0.01 4.61 0.00 -1.84 -1.71 119.26 122.26 2ppw h ALA 123 Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 2ppw h ALA 123 Cb 0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2ppw h ALA 123 CO 0.00 0.04 -0.66 1.05 0.00 0.00 0.00 179.25 179.68 2ppw h GLU 124 N 0.12 0.04 -0.18 0.00 9.09 -1.91 -1.12 114.58 120.62 2ppw h GLU 124 Ca 0.04 -0.03 0.01 0.00 0.05 0.00 0.00 59.36 59.43 2ppw h GLU 124 Cb 0.02 0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.11 2ppw h GLU 124 CO -0.01 0.69 0.09 -0.07 0.05 0.00 0.00 179.01 179.76 2ppw h LEU 125 N 0.03 0.14 -0.21 3.06 3.38 -1.73 -1.77 115.31 118.20 2ppw h LEU 125 Ca -0.01 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2ppw h LEU 125 Cb 1.17 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 2ppw h LEU 125 CO 0.09 0.11 0.11 0.74 0.09 0.00 0.00 178.44 179.57 2ppw h THR 126 N 0.20 1.13 -0.42 0.22 2.02 -1.30 -1.88 112.91 112.87 2ppw h THR 126 Ca 0.07 -0.36 0.07 0.00 0.77 0.00 0.00 66.41 66.96 2ppw h THR 126 Cb 0.02 0.98 -0.06 0.00 -1.74 0.00 0.00 68.15 67.34 2ppw h THR 126 CO -0.05 0.12 0.06 -0.07 0.37 0.00 0.00 175.52 175.96 2ppw h LEU 127 N 0.22 -0.04 -0.80 2.58 3.38 -1.15 -2.44 115.31 117.06 2ppw h LEU 127 Ca 0.07 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2ppw h LEU 127 Cb 0.10 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 2ppw h LEU 127 CO -0.01 0.02 0.48 0.11 0.09 0.00 0.00 178.44 179.13 2ppw h LYS 128 N 0.19 1.08 -1.56 1.13 1.57 -1.19 -0.43 116.57 117.36 2ppw h LYS 128 Ca 0.21 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2ppw h LYS 128 Cb 0.27 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2ppw h LYS 128 CO -0.29 0.76 0.00 -0.11 -0.57 0.00 0.00 179.45 179.24 2ppw n LEU 129 N -4.47 1.43 0.00 2.94 7.94 -0.72 -1.35 117.00 122.77 2ppw n LEU 129 Ca 0.08 -0.71 0.00 0.00 -1.11 0.00 0.00 56.01 54.27 2ppw n LEU 129 Cb 0.05 -0.24 0.00 0.00 0.53 0.00 0.00 43.42 43.76 2ppw n LEU 129 CO 0.37 0.24 0.00 0.49 -1.11 0.00 0.00 177.39 177.38 2ppw n PHE 131 N 0.81 0.00 -0.08 1.96 3.72 -0.17 -1.56 117.46 122.15 2ppw n PHE 131 Ca 0.00 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.33 2ppw n PHE 131 Cb 0.23 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.76 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 0.02 -0.31 -1.08 4.81 -1.46 -2.71 114.58 113.84 2ppw h GLU 132 Ca 0.00 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 2ppw h GLU 132 Cb 0.00 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 2ppw h GLU 132 CO 0.00 0.01 -0.24 0.00 -0.73 0.00 0.00 179.01 178.06 2ppw h ARG 133 N 0.02 0.61 -0.87 1.92 2.47 -1.56 -1.49 114.38 115.47 2ppw h ARG 133 Ca 0.14 -0.24 0.06 0.00 -1.26 0.00 0.00 59.98 58.68 2ppw h ARG 133 Cb 0.21 -0.03 -0.06 0.00 -1.65 0.00 0.00 29.97 28.43 2ppw h ARG 133 CO -0.28 0.80 0.54 1.25 0.56 0.00 0.00 179.97 182.84 2ppw h LEU 134 N 0.54 0.86 -2.33 3.04 5.85 -1.72 -3.11 115.31 118.43 2ppw h LEU 134 Ca 0.08 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2ppw h LEU 134 Cb 0.70 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.56 2ppw h LEU 134 CO 0.05 0.55 0.00 0.49 -0.34 0.00 0.00 178.44 179.19 2ppw n PHE 135 N -4.61 0.43 -0.38 1.25 3.72 -1.04 -4.66 117.46 112.17 2ppw n PHE 135 Ca 0.13 -0.28 -0.02 0.00 -0.05 0.00 0.00 57.45 57.22 2ppw n PHE 135 Cb 0.18 -0.01 0.11 0.00 -0.94 0.00 0.00 39.48 38.82 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 3.41 1.28 -2.92 4.37 0.00 -1.20 -3.44 119.26 120.76 2ppw h ALA 136 Ca 0.00 -0.07 -0.30 0.00 0.00 0.00 0.00 54.91 54.54 2ppw h ALA 136 Cb 0.82 -0.41 -0.19 0.00 0.00 0.00 0.00 17.79 18.01 2ppw h ALA 136 CO 0.00 0.67 -0.73 -1.21 0.00 0.00 0.00 179.25 177.97 2ppw s GLU 137 N -6.11 0.70 0.00 0.00 2.02 -1.26 -5.12 118.70 108.93 2ppw s GLU 137 Ca -0.13 -0.99 0.00 0.00 0.02 0.00 0.00 54.97 53.87 2ppw s GLU 137 Cb 0.18 -0.41 0.00 0.00 0.10 0.00 0.00 34.13 34.00 2ppw s GLU 137 CO 0.82 0.06 0.00 -1.91 0.02 0.00 0.00 175.26 174.25 2ppw n GLU 138 N 0.94 3.20 -0.03 1.61 2.13 -1.26 -4.94 120.64 122.29 2ppw n GLU 138 Ca -0.19 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.63 2ppw n GLU 138 Cb 0.56 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.27 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 0.09 8.31 0.00 0.92 -4.81 105.19 109.69 2ppw n GLY 140 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 0.43 -1.31 0.00 -0.02 0.00 -1.20 -4.79 105.19 98.30 2ppw n GLY 141 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.35 0.79 2.81 -0.02 0.00 0.03 -4.69 105.19 104.46 2ppw n GLY 142 Ca 0.03 -1.48 -0.22 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.37 0.67 1.09 1.61 5.04 -1.26 -3.82 117.35 119.31 2ppw s TYR 143 Ca 0.00 -0.17 -0.14 0.00 -2.44 0.00 0.00 57.07 54.32 2ppw s TYR 143 Cb 0.00 -0.73 0.24 0.00 0.35 0.00 0.00 41.96 41.82 2ppw s TYR 143 CO 0.00 -0.27 1.07 -1.25 -1.34 0.00 0.00 175.55 173.76 2ppw s PRO 144 N 1.57 -0.32 0.41 4.97 0.04 -1.26 -4.86 135.00 135.54 2ppw s PRO 144 Ca -0.01 0.50 0.11 0.00 0.04 0.00 0.00 61.00 61.64 2ppw s PRO 144 Cb -0.13 -1.65 0.92 0.00 0.04 0.00 0.00 34.50 33.68 2ppw s PRO 144 CO -0.03 -3.24 1.98 0.00 0.04 0.00 0.00 177.00 175.75 2ppw h ARG 145 N -2.26 0.52 0.00 4.56 -0.00 -1.86 -1.26 114.38 114.08 2ppw h ARG 145 Ca -0.56 -0.03 0.00 0.00 -0.50 0.00 0.00 59.98 58.89 2ppw h ARG 145 Cb 1.33 -0.12 0.00 0.00 0.00 0.00 0.00 29.97 31.19 2ppw h ARG 145 CO 0.53 0.34 0.00 0.93 0.00 0.00 0.00 179.97 181.77 2ppw h GLU 146 N 0.53 0.00 -0.52 0.04 3.07 -1.93 -2.46 114.58 113.31 2ppw h GLU 146 Ca 0.28 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.94 2ppw h GLU 146 Cb 0.40 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 28.19 2ppw h GLU 146 CO -0.08 0.00 0.14 0.54 -1.40 0.00 0.00 179.01 178.20 2ppw n ARG 147 N -2.89 2.62 -0.20 2.33 1.74 -0.48 -4.67 116.66 115.12 2ppw n ARG 147 Ca -0.01 -3.06 -0.08 0.00 -0.77 0.00 0.00 57.85 53.93 2ppw n ARG 147 Cb 0.18 -1.98 0.02 0.00 -1.02 0.00 0.00 32.46 29.66 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 1.60 1.23 0.94 1.55 3.04 -1.51 -2.61 116.25 120.48 2ppw h VAL 148 Ca 0.24 -0.79 -0.05 0.00 -1.01 0.00 0.00 66.70 65.10 2ppw h VAL 148 Cb 1.96 0.70 0.01 0.00 -2.01 0.00 0.00 31.29 31.95 2ppw h VAL 148 CO 0.54 0.29 -0.47 0.40 -1.01 0.00 0.00 177.57 177.33 2ppw h ILE 149 N 0.77 0.05 -0.70 3.17 1.08 -1.85 0.39 117.51 120.42 2ppw h ILE 149 Ca 0.18 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.71 2ppw h ILE 149 Cb 0.27 0.05 -0.04 0.00 -3.07 0.00 0.00 36.82 34.03 2ppw h ILE 149 CO -0.01 0.00 0.46 1.55 -0.69 0.00 0.00 178.15 179.46 2ppw h PRO 150 N -1.28 0.72 -0.29 2.37 0.13 -1.92 0.23 132.00 131.97 2ppw h PRO 150 Ca -0.13 -0.04 -0.15 0.00 -0.87 0.00 0.00 66.00 64.81 2ppw h PRO 150 Cb 0.99 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 2ppw h PRO 150 CO 0.20 0.48 -0.39 0.93 -0.23 0.00 0.00 178.00 178.98 2ppw h GLU 151 N 0.74 0.78 -0.44 0.86 5.08 -1.29 -1.21 114.58 119.09 2ppw h GLU 151 Ca 0.30 -0.45 -0.07 0.00 -1.00 0.00 0.00 59.36 58.14 2ppw h GLU 151 Cb 0.22 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2ppw h GLU 151 CO -0.09 1.08 -0.01 1.96 -1.00 0.00 0.00 179.01 180.95 2ppw h GLN 152 N 0.54 0.73 -0.25 2.33 4.20 -0.65 -1.84 115.11 120.15 2ppw h GLN 152 Ca 0.03 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.53 2ppw h GLN 152 Cb 0.99 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.67 2ppw h GLN 152 CO 0.09 0.75 0.07 -0.09 -0.67 0.00 0.00 178.83 178.98 2ppw h ARG 153 N 0.68 0.40 -0.66 1.46 2.43 -0.64 -0.58 114.38 117.45 2ppw h ARG 153 Ca 0.13 -0.09 -0.08 0.00 -0.81 0.00 0.00 59.98 59.14 2ppw h ARG 153 Cb 0.43 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 2ppw h ARG 153 CO 0.02 0.48 0.11 -0.91 -1.51 0.00 0.00 179.97 178.16 2ppw h ASN 154 N 0.24 1.04 -0.84 -3.80 -0.26 -1.08 0.61 115.58 111.49 2ppw h ASN 154 Ca 0.08 -0.24 -0.03 0.00 -0.56 0.00 0.00 56.30 55.54 2ppw h ASN 154 Cb 0.25 -0.28 -0.04 0.00 -1.06 0.00 0.00 38.32 37.20 2ppw h ASN 154 CO -0.00 1.03 0.39 0.00 -1.06 0.00 0.00 177.43 177.79 2ppw h ALA 155 N 1.09 1.11 -0.37 -0.83 0.00 -1.22 0.47 119.26 119.51 2ppw h ALA 155 Ca 0.20 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2ppw h ALA 155 Cb 0.43 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2ppw h ALA 155 CO 0.01 0.66 -0.04 -0.09 0.00 0.00 0.00 179.25 179.80 2ppw h ARG 156 N 1.20 0.68 -0.77 0.00 2.43 -0.74 -2.57 114.38 114.60 2ppw h ARG 156 Ca 0.29 -0.24 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 2ppw h ARG 156 Cb 0.13 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.60 2ppw h ARG 156 CO -0.03 0.81 0.36 0.82 -1.51 0.00 0.00 179.97 180.42 2ppw h ILE 157 N 0.49 1.24 -0.63 1.20 2.04 -0.64 -1.29 117.51 119.93 2ppw h ILE 157 Ca 0.10 -0.69 0.07 0.00 1.00 0.00 0.00 64.86 65.33 2ppw h ILE 157 Cb 0.53 0.26 -0.06 0.00 -0.74 0.00 0.00 36.82 36.81 2ppw h ILE 157 CO 0.03 0.29 0.32 0.25 0.00 0.00 0.00 178.15 179.04 2ppw h LEU 158 N 1.10 0.44 -0.63 1.44 5.85 -0.80 0.00 115.31 122.72 2ppw h LEU 158 Ca 0.27 0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.93 2ppw h LEU 158 Cb 0.12 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2ppw h LEU 158 CO -0.03 0.28 0.01 0.78 -0.34 0.00 0.00 178.44 179.13 2ppw h ASN 159 N 0.58 1.06 -0.58 1.25 2.35 -0.97 0.84 115.58 120.11 2ppw h ASN 159 Ca 0.29 -0.30 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2ppw h ASN 159 Cb 0.24 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 2ppw h ASN 159 CO -0.21 1.10 0.36 -0.33 -1.65 0.00 0.00 177.43 176.70 2ppw h GLU 160 N 0.99 0.78 -0.25 0.81 5.08 -0.75 -1.92 114.58 119.32 2ppw h GLU 160 Ca 0.18 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2ppw h GLU 160 Cb 0.56 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2ppw h GLU 160 CO 0.03 0.56 0.15 0.28 -1.00 0.00 0.00 179.01 179.03 2ppw h VAL 161 N 0.78 1.09 -0.73 3.13 2.07 -0.73 -2.71 116.25 119.15 2ppw h VAL 161 Ca 0.21 -0.21 0.15 0.00 0.82 0.00 0.00 66.70 67.66 2ppw h VAL 161 Cb -0.03 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 2ppw h VAL 161 CO -0.04 0.09 0.49 0.11 0.02 0.00 0.00 177.57 178.24 2ppw h LYS 162 N 0.31 0.38 -0.09 1.57 1.57 -0.63 0.16 116.57 119.85 2ppw h LYS 162 Ca 0.09 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 2ppw h LYS 162 Cb 0.01 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 2ppw h LYS 162 CO -0.02 0.25 0.06 1.96 -0.57 0.00 0.00 179.45 181.14 2ppw h GLN 163 N 0.39 0.00 0.10 3.15 4.20 -1.01 -2.53 115.11 119.41 2ppw h GLN 163 Ca 0.36 -0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.71 2ppw h GLN 163 Cb 0.85 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.60 2ppw h GLN 163 CO -0.11 0.00 -2.04 -0.89 -0.67 0.00 0.00 178.83 175.13 2ppw n ILE 164 N -4.51 1.73 0.54 2.54 5.41 0.39 -4.48 119.36 120.97 2ppw n ILE 164 Ca -0.01 -0.61 0.13 0.00 1.00 0.00 0.00 62.75 63.26 2ppw n ILE 164 Cb 0.17 -1.71 0.31 0.00 -0.71 0.00 0.00 39.64 37.71 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 -0.01 0.00 -3.41 1.39 1.35 -0.93 -3.44 112.91 107.86 2ppw h THR 165 Ca -0.45 -0.57 -0.68 0.00 -0.55 0.00 0.00 66.41 64.16 2ppw h THR 165 Cb 1.97 1.48 -0.16 0.00 -1.73 0.00 0.00 68.15 69.71 2ppw h THR 165 CO 0.04 0.00 -0.64 -1.00 -0.25 0.00 0.00 175.52 173.67 2ppw s HIS 166 N -3.14 3.10 0.74 4.73 3.76 -0.96 -5.06 115.29 118.45 2ppw s HIS 166 Ca 0.09 0.14 -0.15 0.00 -0.15 0.00 0.00 55.06 54.99 2ppw s HIS 166 Cb 0.11 -1.77 0.02 0.00 1.11 0.00 0.00 32.58 32.05 2ppw s HIS 166 CO 0.64 0.43 1.02 0.09 -0.85 0.00 0.00 174.74 176.06 2ppw n ASN 167 N 2.18 0.61 -4.80 1.40 4.13 -1.26 -4.88 115.26 112.64 2ppw n ASN 167 Ca -0.18 0.65 -0.33 0.00 1.68 0.00 0.00 54.58 56.40 2ppw n ASN 167 Cb 0.53 -1.43 0.02 0.00 -1.54 0.00 0.00 39.78 37.37 2ppw n ASN 167 CO 0.00 0.00 0.00 1.51 0.28 0.00 0.00 177.26 179.05 2ppw s ASP 168 N -1.72 5.60 0.00 6.41 -4.77 -1.26 -4.45 116.67 116.48 2ppw s ASP 168 Ca 0.73 1.82 0.00 0.00 -3.30 0.00 0.00 52.55 51.81 2ppw s ASP 168 Cb -0.33 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 38.96 2ppw s ASP 168 CO 0.50 -1.29 0.00 -0.11 0.70 0.00 0.00 175.17 174.97 2ppw n LEU 169 N -2.25 0.00 0.00 2.11 7.94 -1.26 -1.76 117.00 121.78 2ppw n LEU 169 Ca 0.09 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.99 2ppw n LEU 169 Cb 0.53 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.48 2ppw n LEU 169 CO 0.48 0.00 0.00 0.41 -1.11 0.00 0.00 177.39 177.17 2ppw n THR 171 N 0.82 0.00 -0.04 1.96 -1.04 -1.26 -0.59 114.28 114.13 2ppw n THR 171 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 2ppw n THR 171 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 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 0.88 -0.24 12.58 2.04 -1.69 -1.58 117.51 129.50 2ppw h ILE 172 Ca 0.00 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 2ppw h ILE 172 Cb 0.00 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2ppw h ILE 172 CO 0.00 0.02 0.02 -0.07 0.00 0.00 0.00 178.15 178.11 2ppw h LEU 173 N 0.09 0.32 -0.44 1.44 3.38 -1.13 0.73 115.31 119.70 2ppw h LEU 173 Ca 0.09 -0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.85 2ppw h LEU 173 Cb 0.11 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2ppw h LEU 173 CO -0.14 0.37 -0.75 0.11 0.09 0.00 0.00 178.44 178.11 2ppw h LYS 174 N 0.35 0.24 0.04 1.13 1.57 -1.73 -3.36 116.57 114.81 2ppw h LYS 174 Ca 0.08 -0.21 -0.34 0.00 -1.87 0.00 0.00 60.65 58.31 2ppw h LYS 174 Cb 0.21 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 2ppw h LYS 174 CO 0.00 0.89 -1.99 -0.89 -0.57 0.00 0.00 179.45 176.89 2ppw n ILE 175 N -3.77 1.62 -1.26 1.86 5.41 -0.63 -4.97 119.36 117.63 2ppw n ILE 175 Ca -0.03 -0.74 -0.35 0.00 1.00 0.00 0.00 62.75 62.63 2ppw n ILE 175 Cb 0.72 -1.22 0.09 0.00 -0.71 0.00 0.00 39.64 38.53 2ppw n ILE 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2ppw n ILE 176 N -3.16 2.34 -1.68 1.39 3.06 0.20 -4.84 119.36 116.67 2ppw n ILE 176 Ca -0.27 -0.33 -0.46 0.00 -2.50 0.00 0.00 62.75 59.18 2ppw n ILE 176 Cb 1.06 -1.04 -0.04 0.00 0.54 0.00 0.00 39.64 40.16 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 -1.77 3.39 0.20 9.51 2.03 -1.26 -4.86 116.55 123.78 2ppw n ASP 177 Ca 0.12 1.02 0.06 0.00 0.52 0.00 0.00 54.79 56.52 2ppw n ASP 177 Cb 0.50 -1.42 0.39 0.00 -0.72 0.00 0.00 41.12 39.87 2ppw n ASP 177 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2ppw h GLN 178 N 7.71 0.00 -0.16 -0.67 1.08 -1.93 -1.43 115.11 119.70 2ppw h GLN 178 Ca -0.47 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 56.67 2ppw h GLN 178 Cb 1.26 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.68 2ppw h GLN 178 CO 0.92 0.34 -0.16 -0.44 -0.95 0.00 0.00 178.83 178.54 2ppw h ASP 179 N 0.00 0.42 -0.52 1.46 3.32 -1.99 -1.12 116.42 118.00 2ppw h ASP 179 Ca -0.00 -0.48 0.07 0.00 0.02 0.00 0.00 57.03 56.64 2ppw h ASP 179 Cb 0.79 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 40.16 2ppw h ASP 179 CO 0.04 0.82 0.19 0.15 -1.72 0.00 0.00 179.24 178.72 2ppw h PHE 180 N 0.04 0.33 -0.15 4.55 3.57 -1.87 0.48 116.94 123.90 2ppw h PHE 180 Ca 0.03 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 2ppw h PHE 180 Cb 0.70 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 2ppw h PHE 180 CO 0.08 0.11 0.03 1.25 -2.23 0.00 0.00 178.31 177.55 2ppw h LEU 181 N 0.37 0.24 -0.47 0.59 5.85 -1.27 -1.90 115.31 118.73 2ppw h LEU 181 Ca 0.25 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.74 2ppw h LEU 181 Cb 0.27 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2ppw h LEU 181 CO -0.25 0.42 0.29 0.50 -0.34 0.00 0.00 178.44 179.07 2ppw h LYS 182 N 0.04 0.58 -0.86 1.25 3.64 -0.97 -1.79 116.57 118.46 2ppw h LYS 182 Ca 0.05 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 2ppw h LYS 182 Cb 0.28 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 2ppw h LYS 182 CO 0.00 0.38 0.57 -0.44 -2.27 0.00 0.00 179.45 177.69 2ppw h ASP 183 N 0.60 0.97 -0.56 4.20 3.32 -0.87 -1.96 116.42 122.11 2ppw h ASP 183 Ca 0.18 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.14 2ppw h ASP 183 Cb -0.03 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 2ppw h ASP 183 CO -0.06 0.69 0.10 0.74 -1.72 0.00 0.00 179.24 178.98 2ppw h THR 184 N 1.13 1.25 -0.31 0.35 2.02 -0.51 -3.18 112.91 113.66 2ppw h THR 184 Ca 0.33 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.54 2ppw h THR 184 Cb -0.08 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 2ppw h THR 184 CO -0.08 0.36 0.00 2.30 0.37 0.00 0.00 175.52 178.47 2ppw n ILE 185 N -4.23 0.42 0.44 3.11 -5.35 -0.86 -4.52 119.36 108.37 2ppw n ILE 185 Ca 0.04 -0.71 0.13 0.00 -0.27 0.00 0.00 62.75 61.94 2ppw n ILE 185 Cb 0.27 1.07 0.48 0.00 -1.74 0.00 0.00 39.64 39.72 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 4.34 0.00 -3.95 7.28 4.64 -1.34 -3.39 113.55 121.12 2ppw h SER 186 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 2ppw h SER 186 Cb 0.96 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 63.14 2ppw h SER 186 CO 0.00 0.00 0.65 -0.83 -0.87 0.00 0.00 176.83 175.78 2ppw s GLY 187 N -3.63 2.93 0.26 -0.77 0.00 -1.26 -4.86 107.32 100.00 2ppw s GLY 187 Ca 0.06 1.32 -0.04 0.00 0.00 0.00 0.00 44.72 46.06 2ppw s GLY 187 CO 0.46 1.93 1.91 0.07 0.00 0.00 0.00 173.10 177.47 2ppw h LYS 188 N 2.68 1.24 -0.16 2.90 2.10 -1.97 -0.48 116.57 122.88 2ppw h LYS 188 Ca -0.50 -0.07 -0.21 0.00 -2.00 0.00 0.00 60.65 57.87 2ppw h LYS 188 Cb 1.25 -0.28 0.00 0.00 -0.90 0.00 0.00 32.23 32.30 2ppw h LYS 188 CO 0.63 0.82 -0.72 1.88 -2.00 0.00 0.00 179.45 180.05 2ppw h TYR 189 N 1.27 0.94 -0.10 0.07 -1.99 -1.91 -0.46 116.97 114.79 2ppw h TYR 189 Ca 0.40 -0.40 0.03 0.00 2.00 0.00 0.00 58.73 60.76 2ppw h TYR 189 Cb 0.00 -0.15 -0.03 0.00 2.00 0.00 0.00 36.73 38.55 2ppw h TYR 189 CO -0.00 1.21 -0.07 0.35 -0.00 0.00 0.00 178.16 179.64 2ppw h PHE 190 N 0.49 -0.18 -1.01 4.88 3.57 -1.68 0.11 116.94 123.13 2ppw h PHE 190 Ca -0.04 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.49 2ppw h PHE 190 Cb 1.33 0.10 -0.05 0.00 2.79 0.00 0.00 35.95 40.12 2ppw h PHE 190 CO 0.07 -0.12 0.67 1.96 -2.23 0.00 0.00 178.31 178.66 2ppw h GLN 191 N -0.08 1.31 0.13 1.11 1.08 -0.93 0.58 115.11 118.30 2ppw h GLN 191 Ca 0.07 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 2ppw h GLN 191 Cb 0.18 -0.30 0.00 0.00 -0.05 0.00 0.00 27.48 27.31 2ppw h GLN 191 CO -0.15 0.87 -0.06 1.49 -0.95 0.00 0.00 178.83 180.02 2ppw h GLU 192 N 1.35 -0.16 0.17 1.46 4.81 -0.90 -3.38 114.58 117.93 2ppw h GLU 192 Ca 0.38 0.01 -0.31 0.00 -0.13 0.00 0.00 59.36 59.31 2ppw h GLU 192 Cb -0.13 0.04 0.03 0.00 0.63 0.00 0.00 28.75 29.32 2ppw h GLU 192 CO -0.09 0.25 -1.32 1.88 -0.73 0.00 0.00 179.01 179.00 2ppw h TYR 193 N -0.64 0.92 0.18 0.92 0.05 -0.62 -3.35 116.97 114.44 2ppw h TYR 193 Ca -0.02 -0.62 -0.01 0.00 0.05 0.00 0.00 58.73 58.14 2ppw h TYR 193 Cb 0.49 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.18 2ppw h TYR 193 CO 0.07 1.47 -0.09 0.35 -1.05 0.00 0.00 178.16 178.91 2ppw h PHE 194 N 0.20 -0.23 -0.08 4.88 3.57 -1.07 -2.29 116.94 121.93 2ppw h PHE 194 Ca -0.20 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.19 2ppw h PHE 194 Cb 2.01 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 40.81 2ppw h PHE 194 CO 0.11 -0.10 -0.40 0.74 -2.23 0.00 0.00 178.31 176.43 2ppw h PHE 195 N -0.30 0.18 -0.30 0.41 0.04 -1.75 0.13 116.94 115.36 2ppw h PHE 195 Ca -0.03 -0.05 -0.04 0.00 2.80 0.00 0.00 57.97 60.66 2ppw h PHE 195 Cb 0.23 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 2ppw h PHE 195 CO -0.05 0.54 0.01 0.93 -0.60 0.00 0.00 178.31 179.14 2ppw h GLU 196 N 0.14 0.46 0.00 1.51 5.08 -1.66 -3.34 114.58 116.77 2ppw h GLU 196 Ca 0.01 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2ppw h GLU 196 Cb 0.77 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2ppw h GLU 196 CO 0.06 0.48 -1.26 0.09 -1.00 0.00 0.00 179.01 177.38 2ppw n ASN 197 N -4.31 1.73 -4.73 1.42 3.02 -0.84 -5.01 115.26 106.54 2ppw n ASN 197 Ca 0.01 -0.23 -0.42 0.00 -0.03 0.00 0.00 54.58 53.91 2ppw n ASN 197 Cb 0.22 1.39 -0.02 0.00 -0.61 0.00 0.00 39.78 40.76 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 2.90 1.46 -3.74 0.00 6.02 0.44 -4.85 117.38 119.61 2ppw n GLN 199 Ca 0.12 -1.57 -0.37 0.00 -0.01 0.00 0.00 57.00 55.16 2ppw n GLN 199 Cb 0.36 -1.29 -0.11 0.00 1.02 0.00 0.00 30.24 30.21 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 -1.15 5.32 0.44 1.08 -1.08 -1.24 -4.99 116.67 115.06 2ppw s ASP 200 Ca 0.20 -2.02 0.16 0.00 -0.52 0.00 0.00 52.55 50.37 2ppw s ASP 200 Cb 0.13 -1.86 1.01 0.00 -1.46 0.00 0.00 42.92 40.74 2ppw s ASP 200 CO 0.19 -0.57 1.97 -2.24 0.52 0.00 0.00 175.17 175.04 2ppw h ASP 201 N 8.10 0.00 -0.31 -0.34 3.04 -1.97 -2.21 116.42 122.73 2ppw h ASP 201 Ca -0.14 0.00 -0.05 0.00 -3.24 0.00 0.00 57.03 53.60 2ppw h ASP 201 Cb 1.05 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.33 2ppw h ASP 201 CO 0.72 0.21 -0.02 -0.08 -2.04 0.00 0.00 179.24 178.04 2ppw h GLU 202 N 0.00 0.56 -0.32 4.15 4.81 -1.99 -0.91 114.58 120.88 2ppw h GLU 202 Ca -0.00 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.00 2ppw h GLU 202 Cb 0.40 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 2ppw h GLU 202 CO 0.03 0.71 0.04 0.28 -0.73 0.00 0.00 179.01 179.34 2ppw h VAL 203 N 0.35 1.24 -0.53 0.32 2.07 -1.93 -2.54 116.25 115.24 2ppw h VAL 203 Ca 0.09 -0.85 0.03 0.00 0.82 0.00 0.00 66.70 66.79 2ppw h VAL 203 Cb 0.47 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 2ppw h VAL 203 CO 0.02 0.28 0.30 0.00 0.02 0.00 0.00 177.57 178.19 2ppw h ALA 204 N 0.88 0.69 -0.56 1.67 0.00 -1.34 -1.36 119.26 119.23 2ppw h ALA 204 Ca 0.09 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2ppw h ALA 204 Cb 0.37 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2ppw h ALA 204 CO 0.01 -0.01 0.13 0.00 0.00 0.00 0.00 179.25 179.37 2ppw h ALA 205 N 1.26 1.17 -0.53 0.00 0.00 -1.13 -1.03 119.26 119.00 2ppw h ALA 205 Ca 0.22 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2ppw h ALA 205 Cb 0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2ppw h ALA 205 CO -0.12 0.56 -0.09 -0.92 0.00 0.00 0.00 179.25 178.68 2ppw h TYR 206 N 0.84 1.10 0.00 0.00 3.20 -1.01 -3.22 116.97 117.88 2ppw h TYR 206 Ca 0.18 -0.22 -0.15 0.00 3.14 0.00 0.00 58.73 61.68 2ppw h TYR 206 Cb 0.32 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 2ppw h TYR 206 CO 0.02 1.03 -0.70 -0.07 -1.64 0.00 0.00 178.16 176.80 2ppw h LEU 207 N 0.86 0.00 0.00 2.82 3.38 -1.02 -3.52 115.31 117.83 2ppw h LEU 207 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2ppw h LEU 207 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2ppw h LEU 207 CO 0.04 0.70 0.00 1.17 0.09 0.00 0.00 178.44 180.44