#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ish n ILE 2 N 0.00 0.48 -0.01 1.12 5.41 -1.16 -4.85 119.36 120.35 3ish n ILE 2 Ca 0.00 -0.12 -0.17 0.00 1.00 0.00 0.00 62.75 63.46 3ish n ILE 2 Cb 0.00 -1.01 -0.10 0.00 -0.71 0.00 0.00 39.64 37.82 3ish n ILE 2 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 3ish h ASP 3 N 4.21 0.57 -3.16 4.38 3.45 -1.42 0.96 116.42 125.42 3ish h ASP 3 Ca -0.45 -0.71 -0.25 0.00 0.43 0.00 0.00 57.03 56.05 3ish h ASP 3 Cb 1.32 -0.17 -0.33 0.00 -0.56 0.00 0.00 39.33 39.59 3ish h ASP 3 CO 0.76 1.19 -0.58 0.00 -1.57 0.00 0.00 179.24 179.05 3ish s ALA 5 N 1.89 3.51 -0.39 0.00 0.00 -0.30 -1.65 121.76 124.81 3ish s ALA 5 Ca -0.02 -1.36 -0.16 0.00 0.00 0.00 0.00 51.96 50.42 3ish s ALA 5 Cb -0.12 -2.65 0.01 0.00 0.00 0.00 0.00 23.12 20.36 3ish s ALA 5 CO -0.07 -0.94 0.35 0.42 0.00 0.00 0.00 175.76 175.52 3ish s ILE 6 N 1.72 5.19 -0.46 0.00 1.01 -0.34 -0.90 121.20 127.43 3ish s ILE 6 Ca 0.06 -0.37 -0.17 0.00 0.00 0.00 0.00 60.65 60.17 3ish s ILE 6 Cb -0.17 -3.92 0.04 0.00 0.01 0.00 0.00 42.46 38.42 3ish s ILE 6 CO 0.11 -0.27 0.48 -0.63 0.00 0.00 0.00 174.94 174.63 3ish s ILE 7 N 1.90 5.05 0.00 2.92 -1.09 0.56 -0.32 121.20 130.22 3ish s ILE 7 Ca 0.09 -0.54 0.00 0.00 -2.23 0.00 0.00 60.65 57.97 3ish s ILE 7 Cb -0.18 -4.13 0.00 0.00 -1.58 0.00 0.00 42.46 36.57 3ish s ILE 7 CO 0.12 -0.57 0.00 0.61 -1.23 0.00 0.00 174.94 173.87 3ish n GLY 8 N 5.15 3.18 2.04 6.18 0.00 0.11 -0.61 105.19 121.24 3ish n GLY 8 Ca -0.08 -1.37 -0.26 0.00 0.00 0.00 0.00 46.02 44.31 3ish n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ish n GLY 9 N 0.97 6.10 0.00 -0.02 0.00 -1.25 -3.99 105.19 107.00 3ish n GLY 9 Ca 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 46.02 43.60 3ish n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ish n GLY 10 N -0.82 -0.14 0.37 -0.02 0.00 -1.26 -1.08 105.19 102.24 3ish n GLY 10 Ca 0.49 -1.77 0.15 0.00 0.00 0.00 0.00 46.02 44.89 3ish n GLY 10 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ish h PRO 11 N 0.00 0.64 -0.13 1.61 0.11 -1.94 -0.46 132.00 131.83 3ish h PRO 11 Ca 0.00 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 3ish h PRO 11 Cb 0.00 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 30.96 3ish h PRO 11 CO 0.00 0.43 0.02 0.00 -0.21 0.00 0.00 178.00 178.24 3ish h ALA 12 N 1.64 0.17 -0.33 -0.75 0.00 -1.90 -1.53 119.26 116.56 3ish h ALA 12 Ca 0.57 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 55.21 3ish h ALA 12 Cb 1.02 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3ish h ALA 12 CO -0.35 -0.17 -0.22 0.78 0.00 0.00 0.00 179.25 179.29 3ish h GLY 13 N -0.01 0.80 0.99 0.00 0.00 -1.60 -0.31 103.07 102.94 3ish h GLY 13 Ca 0.04 -0.76 0.00 0.00 0.00 0.00 0.00 47.33 46.61 3ish h GLY 13 CO 0.00 0.69 0.09 1.41 0.00 0.00 0.00 176.54 178.73 3ish h LEU 14 N 0.51 0.15 -0.97 3.11 3.38 -1.12 0.10 115.31 120.48 3ish h LEU 14 Ca 0.07 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.03 3ish h LEU 14 Cb 0.77 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.44 3ish h LEU 14 CO 0.06 0.12 0.64 0.28 0.09 0.00 0.00 178.44 179.64 3ish h SER 15 N 0.17 1.12 -0.32 -0.43 0.02 -1.23 -0.73 113.55 112.14 3ish h SER 15 Ca 0.05 -0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.00 3ish h SER 15 Cb -0.01 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.22 3ish h SER 15 CO -0.01 0.81 0.13 0.00 -1.14 0.00 0.00 176.83 176.62 3ish h ALA 16 N 1.36 0.38 -0.44 3.77 0.00 -0.77 -1.53 119.26 122.03 3ish h ALA 16 Ca 0.36 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.32 3ish h ALA 16 Cb -0.15 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3ish h ALA 16 CO -0.08 -0.26 0.23 0.78 0.00 0.00 0.00 179.25 179.92 3ish h GLY 17 N 0.29 0.61 0.20 0.00 0.00 -0.43 -0.36 103.07 103.38 3ish h GLY 17 Ca 0.14 -0.16 0.02 0.00 0.00 0.00 0.00 47.33 47.34 3ish h GLY 17 CO -0.12 0.11 -0.43 -2.00 0.00 0.00 0.00 176.54 174.10 3ish h LEU 18 N 0.45 -1.29 -0.67 3.11 5.85 -1.00 -2.89 115.31 118.87 3ish h LEU 18 Ca 0.19 0.15 -0.03 0.00 0.84 0.00 0.00 57.88 59.03 3ish h LEU 18 Cb 0.08 0.49 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 3ish h LEU 18 CO -0.13 -0.48 0.31 1.88 -0.34 0.00 0.00 178.44 179.68 3ish h TYR 19 N -0.63 0.98 -0.78 1.25 -1.99 -1.13 -0.71 116.97 113.95 3ish h TYR 19 Ca 0.03 -0.05 -0.02 0.00 2.00 0.00 0.00 58.73 60.68 3ish h TYR 19 Cb 0.68 -0.30 -0.04 0.00 2.00 0.00 0.00 36.73 39.07 3ish h TYR 19 CO -0.40 0.74 0.39 0.00 -0.00 0.00 0.00 178.16 178.89 3ish h ALA 20 N 1.14 1.01 0.17 3.88 0.00 -1.09 -0.97 119.26 123.40 3ish h ALA 20 Ca 0.23 -0.14 -0.23 0.00 0.00 0.00 0.00 54.91 54.77 3ish h ALA 20 Cb 0.14 -0.31 0.03 0.00 0.00 0.00 0.00 17.79 17.64 3ish h ALA 20 CO -0.03 0.55 -1.01 1.15 0.00 0.00 0.00 179.25 179.91 3ish h THR 21 N 1.10 1.43 0.00 0.00 2.02 -1.43 -1.44 112.91 114.59 3ish h THR 21 Ca 0.27 -2.57 0.00 0.00 0.77 0.00 0.00 66.41 64.88 3ish h THR 21 Cb 0.09 3.14 0.00 0.00 -1.74 0.00 0.00 68.15 69.65 3ish h THR 21 CO -0.04 0.74 0.00 -0.09 0.37 0.00 0.00 175.52 176.50 3ish h ARG 22 N -0.24 0.00 -0.41 6.66 2.43 -1.13 -1.92 114.38 119.77 3ish h ARG 22 Ca -0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 3ish h ARG 22 Cb 1.79 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.34 3ish h ARG 22 CO 0.18 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 179.05 3ish n GLY 23 N -0.27 1.32 0.49 2.80 0.00 -0.37 -4.96 105.19 104.21 3ish n GLY 23 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 3ish n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ish n GLY 24 N 1.36 0.87 3.64 -0.02 0.00 -0.72 -5.03 105.19 105.29 3ish n GLY 24 Ca 0.18 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 3ish n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ish s VAL 25 N -2.00 4.32 0.09 1.61 1.01 -0.58 -4.94 120.40 119.91 3ish s VAL 25 Ca 0.00 1.52 0.12 0.00 0.00 0.00 0.00 61.98 63.62 3ish s VAL 25 Cb 0.00 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 3ish s VAL 25 CO 0.00 -0.44 1.48 0.11 0.00 0.00 0.00 175.10 176.25 3ish h LYS 26 N 8.62 0.00 -2.48 2.72 1.79 -1.91 -3.39 116.57 121.92 3ish h LYS 26 Ca -0.24 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.64 3ish h LYS 26 Cb 1.08 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 31.33 3ish h LYS 26 CO 1.03 0.67 -0.80 -1.71 -1.08 0.00 0.00 179.45 177.56 3ish n ASN 27 N -3.44 1.54 -4.56 0.86 5.15 -1.26 -5.00 115.26 108.54 3ish n ASN 27 Ca 0.00 -2.90 -0.34 0.00 -0.60 0.00 0.00 54.58 50.74 3ish n ASN 27 Cb 0.74 -0.65 -0.11 0.00 -0.53 0.00 0.00 39.78 39.23 3ish n ASN 27 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ish s ALA 28 N -1.14 3.18 -0.12 5.20 0.00 -1.26 -1.03 121.76 126.59 3ish s ALA 28 Ca 0.32 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.52 3ish s ALA 28 Cb 0.06 -1.71 0.01 0.00 0.00 0.00 0.00 23.12 21.48 3ish s ALA 28 CO -0.14 0.21 -0.19 0.08 0.00 0.00 0.00 175.76 175.72 3ish s VAL 29 N 0.34 1.76 -0.28 0.00 1.01 -0.66 -1.64 120.40 120.94 3ish s VAL 29 Ca -0.01 -0.80 -0.17 0.00 0.00 0.00 0.00 61.98 61.00 3ish s VAL 29 Cb -0.13 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 3ish s VAL 29 CO 0.02 0.49 0.45 -0.22 0.00 0.00 0.00 175.10 175.84 3ish s LEU 30 N 0.85 4.09 -0.19 3.92 0.20 0.77 -1.20 118.68 127.12 3ish s LEU 30 Ca -0.08 0.34 -0.17 0.00 0.69 0.00 0.00 54.13 54.91 3ish s LEU 30 Cb -0.15 -2.54 -0.04 0.00 -0.43 0.00 0.00 46.19 43.02 3ish s LEU 30 CO -0.01 -0.27 0.43 -0.36 -0.29 0.00 0.00 176.35 175.86 3ish s PHE 31 N 2.21 3.40 -0.03 5.38 0.40 0.56 -0.98 117.98 128.91 3ish s PHE 31 Ca 0.18 0.69 0.01 0.00 -0.60 0.00 0.00 56.93 57.21 3ish s PHE 31 Cb -0.16 -2.56 0.02 0.00 0.51 0.00 0.00 43.02 40.84 3ish s PHE 31 CO 0.10 0.00 -0.01 -2.00 0.70 0.00 0.00 175.22 174.01 3ish s GLU 32 N 1.26 0.43 -0.23 0.44 2.56 -0.94 0.06 118.70 122.27 3ish s GLU 32 Ca 0.21 0.01 -0.04 0.00 0.00 0.00 0.00 54.97 55.15 3ish s GLU 32 Cb -0.15 -0.54 -0.04 0.00 2.00 0.00 0.00 34.13 35.40 3ish s GLU 32 CO 0.08 -0.10 2.89 0.36 -0.56 0.00 0.00 175.26 177.94 3ish n LYS 33 N 3.98 2.04 -0.47 4.30 2.85 -1.25 -1.79 118.16 127.81 3ish n LYS 33 Ca -0.25 -1.54 0.00 0.00 -1.05 0.00 0.00 58.31 55.47 3ish n LYS 33 Cb 0.51 -1.91 0.00 0.00 -0.65 0.00 0.00 35.03 32.99 3ish n LYS 33 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3ish n GLY 34 N 1.43 -1.15 1.44 2.58 0.00 -1.26 -4.88 105.19 103.35 3ish n GLY 34 Ca 0.39 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3ish n GLY 34 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3ish n MET 35 N 1.42 0.00 -1.72 1.61 2.81 -1.26 -5.07 117.12 114.90 3ish n MET 35 Ca 0.00 0.48 -0.37 0.00 -1.81 0.00 0.00 57.70 56.00 3ish n MET 35 Cb 0.00 -0.96 0.06 0.00 -0.71 0.00 0.00 33.22 31.61 3ish n MET 35 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 3ish n PRO 36 N 0.01 1.23 0.00 0.03 -0.02 -1.26 -4.09 135.00 130.90 3ish n PRO 36 Ca 0.00 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 3ish n PRO 36 Cb 0.00 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 30.96 3ish n PRO 36 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ish n GLY 37 N 0.91 1.13 7.00 -1.23 0.00 -0.24 -5.01 105.19 107.76 3ish n GLY 37 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3ish n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ish n GLY 38 N 0.00 0.41 0.32 -0.02 0.00 -1.25 -4.08 105.19 100.57 3ish n GLY 38 Ca 0.00 -0.86 0.05 0.00 0.00 0.00 0.00 46.02 45.21 3ish n GLY 38 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3ish h GLN 39 N 0.00 0.80 -0.88 1.61 4.20 -1.96 -2.65 115.11 116.23 3ish h GLN 39 Ca 0.00 -0.05 0.20 0.00 0.06 0.00 0.00 58.65 58.87 3ish h GLN 39 Cb 0.00 -0.18 -0.06 0.00 0.30 0.00 0.00 27.48 27.54 3ish h GLN 39 CO 0.00 0.53 0.59 0.97 -0.67 0.00 0.00 178.83 180.25 3ish h ILE 40 N 0.82 0.67 -0.78 2.54 6.09 -1.95 -0.86 117.51 124.04 3ish h ILE 40 Ca 0.44 -0.12 0.23 0.00 -1.37 0.00 0.00 64.86 64.04 3ish h ILE 40 Cb 0.47 0.30 -0.03 0.00 0.47 0.00 0.00 36.82 38.02 3ish h ILE 40 CO -0.28 0.06 0.92 0.74 -3.07 0.00 0.00 178.15 176.52 3ish h THR 41 N 0.35 0.13 -0.00 2.19 2.02 -1.68 0.44 112.91 116.36 3ish h THR 41 Ca 0.45 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.63 3ish h THR 41 Cb 1.20 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 3ish h THR 41 CO -0.15 0.00 -0.19 0.61 0.37 0.00 0.00 175.52 176.16 3ish n GLY 42 N -1.62 -1.16 3.76 2.16 0.00 -0.33 -4.22 105.19 103.78 3ish n GLY 42 Ca 0.17 -0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 3ish n GLY 42 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ish s SER 43 N -2.76 7.29 0.15 1.61 0.15 0.15 -4.93 113.70 115.37 3ish s SER 43 Ca 0.20 1.53 0.26 0.00 0.70 0.00 0.00 55.95 58.64 3ish s SER 43 Cb 0.19 -2.48 0.69 0.00 -1.71 0.00 0.00 66.02 62.72 3ish s SER 43 CO 0.55 0.12 1.63 -1.54 1.20 0.00 0.00 173.24 175.20 3ish n SER 44 N 2.16 0.67 -3.64 5.45 3.41 -1.26 -1.19 113.62 119.23 3ish n SER 44 Ca -0.04 0.37 -0.09 0.00 -0.26 0.00 0.00 58.87 58.85 3ish n SER 44 Cb 0.49 -0.40 -0.07 0.00 -0.26 0.00 0.00 64.21 63.98 3ish n SER 44 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3ish s GLU 45 N -3.10 0.58 -0.07 4.33 -1.05 -1.26 -3.84 118.70 114.28 3ish s GLU 45 Ca 0.10 0.75 0.05 0.00 -0.15 0.00 0.00 54.97 55.71 3ish s GLU 45 Cb 0.14 0.25 -0.00 0.00 -0.44 0.00 0.00 34.13 34.08 3ish s GLU 45 CO 0.63 -0.08 -0.22 -1.50 0.95 0.00 0.00 175.26 175.04 3ish s ILE 46 N 0.51 1.87 0.00 1.83 2.07 -0.71 -4.87 121.20 121.91 3ish s ILE 46 Ca -0.00 -0.95 0.00 0.00 -1.41 0.00 0.00 60.65 58.29 3ish s ILE 46 Cb -0.05 -1.61 0.00 0.00 0.13 0.00 0.00 42.46 40.94 3ish s ILE 46 CO -0.07 0.52 0.02 -1.84 -1.91 0.00 0.00 174.94 171.66 3ish n GLU 47 N 3.21 2.63 -0.89 3.50 0.28 -1.26 -3.59 120.64 124.53 3ish n GLU 47 Ca -0.18 -0.02 0.05 0.00 -0.16 0.00 0.00 57.16 56.84 3ish n GLU 47 Cb 0.52 -0.26 0.37 0.00 1.43 0.00 0.00 31.44 33.51 3ish n GLU 47 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 3ish n ASN 48 N -0.38 5.39 -4.58 -1.84 6.94 -1.26 -4.90 115.26 114.62 3ish n ASN 48 Ca 0.00 -3.01 -0.42 0.00 -0.02 0.00 0.00 54.58 51.13 3ish n ASN 48 Cb 0.01 -0.69 -0.05 0.00 -2.36 0.00 0.00 39.78 36.70 3ish n ASN 48 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 3ish s TYR 49 N -2.83 3.10 0.24 -2.53 5.04 -1.26 -4.96 117.35 114.15 3ish s TYR 49 Ca 0.54 0.54 -0.30 0.00 -2.44 0.00 0.00 57.07 55.40 3ish s TYR 49 Cb 0.42 -3.44 -0.10 0.00 0.35 0.00 0.00 41.96 39.18 3ish s TYR 49 CO 0.15 -0.76 1.49 -2.14 -1.34 0.00 0.00 175.55 172.95 3ish s PRO 50 N 3.14 4.23 0.00 4.97 0.02 -1.26 -2.47 135.00 143.63 3ish s PRO 50 Ca 0.32 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.70 3ish s PRO 50 Cb -0.13 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.29 3ish s PRO 50 CO 0.17 -0.49 0.00 0.41 -0.33 0.00 0.00 177.00 176.76 3ish n GLY 51 N 2.43 1.44 3.12 0.52 0.00 -1.26 -5.01 105.19 106.44 3ish n GLY 51 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 3ish n GLY 51 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ish s VAL 52 N -2.74 3.16 -0.40 1.61 1.01 -1.03 -5.01 120.40 116.99 3ish s VAL 52 Ca 0.00 -1.94 0.23 0.00 0.00 0.00 0.00 61.98 60.27 3ish s VAL 52 Cb 0.00 -3.10 0.28 0.00 0.00 0.00 0.00 36.38 33.55 3ish s VAL 52 CO 0.00 -0.56 1.50 0.07 0.00 0.00 0.00 175.10 176.11 3ish h LYS 53 N 8.00 0.00 -6.56 2.72 2.10 -1.93 -3.44 116.57 117.46 3ish h LYS 53 Ca -0.14 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 57.99 3ish h LYS 53 Cb 1.05 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.36 3ish h LYS 53 CO 0.65 0.00 0.32 -1.83 -2.00 0.00 0.00 179.45 176.59 3ish s GLU 54 N -3.24 4.69 -0.17 0.07 -1.05 -1.26 -5.03 118.70 112.72 3ish s GLU 54 Ca 0.06 1.39 -0.14 0.00 -0.15 0.00 0.00 54.97 56.12 3ish s GLU 54 Cb 0.06 -3.35 -0.04 0.00 -0.44 0.00 0.00 34.13 30.35 3ish s GLU 54 CO 0.69 0.29 0.32 0.08 0.95 0.00 0.00 175.26 177.59 3ish s VAL 55 N -0.26 5.28 0.09 1.83 1.01 -1.26 -4.87 120.40 122.22 3ish s VAL 55 Ca 0.44 0.60 -0.25 0.00 0.00 0.00 0.00 61.98 62.76 3ish s VAL 55 Cb -0.23 -3.66 0.08 0.00 0.00 0.00 0.00 36.38 32.57 3ish s VAL 55 CO 0.29 0.36 0.72 -0.69 0.00 0.00 0.00 175.10 175.78 3ish s VAL 56 N 0.63 0.00 0.71 2.92 1.01 -1.24 -5.00 120.40 119.44 3ish s VAL 56 Ca 0.17 -0.01 -0.13 0.00 0.00 0.00 0.00 61.98 62.01 3ish s VAL 56 Cb -0.13 -1.01 0.03 0.00 0.00 0.00 0.00 36.38 35.26 3ish s VAL 56 CO 0.05 0.00 1.12 -0.94 0.00 0.00 0.00 175.10 175.33 3ish s SER 57 N -2.64 4.75 0.25 3.32 1.04 -1.25 -1.74 113.70 117.44 3ish s SER 57 Ca 0.03 1.99 -0.05 0.00 0.48 0.00 0.00 55.95 58.40 3ish s SER 57 Cb -0.01 -2.55 0.33 0.00 0.10 0.00 0.00 66.02 63.90 3ish s SER 57 CO -0.11 -1.87 1.89 1.23 0.98 0.00 0.00 173.24 175.35 3ish h GLY 58 N -0.42 1.41 0.92 7.32 0.00 -1.30 0.30 103.07 111.30 3ish h GLY 58 Ca -0.46 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 46.41 3ish h GLY 58 CO 0.52 0.37 0.06 -2.00 0.00 0.00 0.00 176.54 175.49 3ish h LEU 59 N 1.16 0.15 -1.21 3.11 5.85 -1.77 -1.26 115.31 121.33 3ish h LEU 59 Ca 0.39 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.98 3ish h LEU 59 Cb 0.07 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 3ish h LEU 59 CO -0.14 0.21 0.18 0.44 -0.34 0.00 0.00 178.44 178.78 3ish h ASP 60 N 0.08 0.66 -0.78 1.25 3.32 -1.80 -2.46 116.42 116.68 3ish h ASP 60 Ca 0.04 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3ish h ASP 60 Cb 0.09 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 3ish h ASP 60 CO -0.01 0.61 0.50 0.15 -1.72 0.00 0.00 179.24 178.78 3ish h PHE 61 N 0.72 1.00 -0.00 4.55 3.57 -0.05 -2.85 116.94 123.88 3ish h PHE 61 Ca 0.17 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.68 3ish h PHE 61 Cb 0.18 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.58 3ish h PHE 61 CO 0.01 0.65 -0.33 -1.33 -2.23 0.00 0.00 178.31 175.08 3ish n MET 62 N -4.52 0.09 0.04 1.11 2.81 -0.51 -4.20 117.12 111.95 3ish n MET 62 Ca 0.08 -0.04 -0.09 0.00 -1.81 0.00 0.00 57.70 55.84 3ish n MET 62 Cb 0.03 -1.50 0.06 0.00 -0.71 0.00 0.00 33.22 31.10 3ish n MET 62 CO 0.00 0.00 0.00 -0.56 1.51 0.00 0.00 175.97 176.92 3ish h GLN 63 N 0.10 0.41 0.00 0.03 -0.00 -1.20 -1.61 115.11 112.85 3ish h GLN 63 Ca 0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 58.65 58.35 3ish h GLN 63 Cb 0.49 0.05 0.00 0.00 -0.00 0.00 0.00 27.48 28.02 3ish h GLN 63 CO 0.00 0.92 0.00 -0.35 -0.00 0.00 0.00 178.83 179.40 3ish n PRO 64 N -3.88 0.15 0.26 0.06 -0.05 -1.26 -2.26 135.00 128.02 3ish n PRO 64 Ca -0.04 0.50 0.15 0.00 -0.05 0.00 0.00 63.50 64.07 3ish n PRO 64 Cb 0.65 -1.86 0.61 0.00 -0.05 0.00 0.00 33.50 32.86 3ish n PRO 64 CO 0.00 0.00 0.00 -1.49 -0.05 0.00 0.00 175.50 173.96 3ish h TRP 65 N 0.00 0.00 0.41 0.54 4.06 -1.53 -2.73 115.95 116.70 3ish h TRP 65 Ca 0.00 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 3ish h TRP 65 Cb 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.35 3ish h TRP 65 CO 0.00 0.05 -0.20 1.96 -3.56 0.00 0.00 178.44 176.69 3ish h GLN 66 N 0.00 -0.54 -0.09 0.49 1.08 -1.54 -1.19 115.11 113.32 3ish h GLN 66 Ca -0.00 0.04 -0.10 0.00 -1.45 0.00 0.00 58.65 57.13 3ish h GLN 66 Cb 0.58 0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.12 3ish h GLN 66 CO 0.01 -0.23 -0.41 1.05 -0.95 0.00 0.00 178.83 178.30 3ish h GLU 67 N -0.93 0.21 -0.04 1.46 -0.00 -1.74 -2.78 114.58 110.76 3ish h GLU 67 Ca -0.06 -0.10 -0.01 0.00 -0.00 0.00 0.00 59.36 59.19 3ish h GLU 67 Cb 0.56 -0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.30 3ish h GLU 67 CO 0.09 0.59 -0.03 0.37 -0.00 0.00 0.00 179.01 180.03 3ish h GLN 68 N 0.17 0.09 0.00 1.06 4.15 -1.51 -2.34 115.11 116.73 3ish h GLN 68 Ca 0.02 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.36 3ish h GLN 68 Cb 0.80 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.48 3ish h GLN 68 CO 0.06 0.51 -0.14 0.00 -1.93 0.00 0.00 178.83 177.34 3ish n PHE 70 N -3.38 0.00 0.28 0.00 3.01 -1.05 -3.63 117.46 112.69 3ish n PHE 70 Ca -0.00 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.58 3ish n PHE 70 Cb 0.33 -0.01 0.79 0.00 -0.01 0.00 0.00 39.48 40.58 3ish n PHE 70 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 3ish h ARG 71 N 3.30 0.00 -0.40 -1.08 2.43 -0.74 -3.21 114.38 114.68 3ish h ARG 71 Ca 0.00 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 3ish h ARG 71 Cb 0.76 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.24 3ish h ARG 71 CO 0.00 0.05 0.05 1.19 -1.51 0.00 0.00 179.97 179.75 3ish n PHE 72 N -3.92 1.34 0.00 2.20 3.01 -1.26 -4.93 117.46 113.90 3ish n PHE 72 Ca -0.03 -1.17 0.00 0.00 1.01 0.00 0.00 57.45 57.26 3ish n PHE 72 Cb 0.14 -0.46 0.00 0.00 -0.01 0.00 0.00 39.48 39.16 3ish n PHE 72 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ish n GLY 73 N -0.63 0.59 3.58 1.37 0.00 -1.21 -4.61 105.19 104.27 3ish n GLY 73 Ca 0.30 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.85 3ish n GLY 73 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ish n LEU 74 N 0.00 1.54 -4.91 0.99 7.94 -1.26 -4.81 117.00 116.49 3ish n LEU 74 Ca 0.00 1.16 -0.21 0.00 -1.11 0.00 0.00 56.01 55.85 3ish n LEU 74 Cb 0.00 -1.24 -0.03 0.00 0.53 0.00 0.00 43.42 42.69 3ish n LEU 74 CO 0.00 -1.39 -0.06 -0.54 -1.11 0.00 0.00 177.39 174.28 3ish s LYS 75 N -0.85 3.11 0.02 1.96 1.02 -0.65 -4.93 119.74 119.42 3ish s LYS 75 Ca 0.67 -0.99 0.04 0.00 0.02 0.00 0.00 55.97 55.71 3ish s LYS 75 Cb -0.79 -2.71 -0.03 0.00 -0.52 0.00 0.00 37.83 33.77 3ish s LYS 75 CO 0.55 0.29 -0.07 -1.01 -0.92 0.00 0.00 175.35 174.19 3ish s HIS 76 N -2.12 2.86 -0.13 3.18 3.76 -1.26 -0.17 115.29 121.41 3ish s HIS 76 Ca 0.37 -0.06 -0.02 0.00 -0.15 0.00 0.00 55.06 55.20 3ish s HIS 76 Cb -0.08 -1.58 0.04 0.00 1.11 0.00 0.00 32.58 32.07 3ish s HIS 76 CO 0.28 0.38 -0.01 -1.21 -0.85 0.00 0.00 174.74 173.33 3ish s GLU 77 N -1.56 0.86 -0.84 1.40 0.41 -0.16 -4.84 118.70 113.98 3ish s GLU 77 Ca 0.18 -0.20 -0.21 0.00 -0.41 0.00 0.00 54.97 54.33 3ish s GLU 77 Cb -0.11 -1.56 0.10 0.00 -1.78 0.00 0.00 34.13 30.78 3ish s GLU 77 CO 0.09 -0.42 1.11 1.41 -0.49 0.00 0.00 175.26 176.96 3ish s MET 78 N 1.85 3.40 -0.26 1.61 1.75 -1.26 -2.22 119.30 124.17 3ish s MET 78 Ca 0.02 -1.29 -0.27 0.00 -1.25 0.00 0.00 55.69 52.91 3ish s MET 78 Cb -0.14 -4.70 0.15 0.00 2.84 0.00 0.00 34.83 32.98 3ish s MET 78 CO -0.07 -1.86 1.18 -0.08 -0.65 0.00 0.00 175.02 173.55 3ish s THR 79 N 3.57 0.00 -0.15 10.11 -1.32 -0.74 -4.97 115.64 122.14 3ish s THR 79 Ca 0.30 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.49 3ish s THR 79 Cb -0.09 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.89 3ish s THR 79 CO -0.02 0.00 1.20 0.00 -2.21 0.00 0.00 174.62 173.59 3ish s ALA 80 N -0.26 3.62 -0.01 11.08 0.00 -1.26 -3.85 121.76 131.09 3ish s ALA 80 Ca 0.04 0.43 -0.30 0.00 0.00 0.00 0.00 51.96 52.13 3ish s ALA 80 Cb -0.04 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.47 3ish s ALA 80 CO -0.07 -1.05 1.07 0.08 0.00 0.00 0.00 175.76 175.79 3ish s VAL 81 N 3.13 4.55 -0.04 0.00 1.01 -1.26 -0.97 120.40 126.82 3ish s VAL 81 Ca 0.53 1.83 -0.14 0.00 0.00 0.00 0.00 61.98 64.20 3ish s VAL 81 Cb -0.21 -4.17 -0.32 0.00 0.00 0.00 0.00 36.38 31.68 3ish s VAL 81 CO 0.15 0.10 0.75 -0.61 0.00 0.00 0.00 175.10 175.49 3ish h GLN 82 N 6.93 0.41 -1.98 2.72 4.15 -0.21 -3.45 115.11 123.68 3ish h GLN 82 Ca -0.39 -0.70 -0.05 0.00 0.77 0.00 0.00 58.65 58.29 3ish h GLN 82 Cb 1.20 0.26 -0.20 0.00 0.21 0.00 0.00 27.48 28.95 3ish h GLN 82 CO 0.80 1.33 0.18 0.50 -1.93 0.00 0.00 178.83 179.71 3ish s ARG 83 N -2.56 0.95 -0.09 1.69 3.52 -1.00 -4.17 118.95 117.30 3ish s ARG 83 Ca -0.15 0.56 0.04 0.00 -0.13 0.00 0.00 55.73 56.05 3ish s ARG 83 Cb 0.05 0.46 -0.01 0.00 -1.56 0.00 0.00 34.95 33.88 3ish s ARG 83 CO 0.86 -0.23 -0.22 0.08 -0.81 0.00 0.00 175.30 174.98 3ish s VAL 84 N -0.54 2.28 0.10 7.11 1.01 -0.30 -0.69 120.40 129.37 3ish s VAL 84 Ca -0.06 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.00 3ish s VAL 84 Cb -0.02 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 3ish s VAL 84 CO 0.06 0.56 -0.11 -0.44 0.00 0.00 0.00 175.10 175.17 3ish s SER 85 N 0.11 1.54 0.07 3.32 0.01 -0.73 -4.74 113.70 113.28 3ish s SER 85 Ca -0.11 -0.81 -0.30 0.00 1.31 0.00 0.00 55.95 56.04 3ish s SER 85 Cb -0.16 -0.00 -0.05 0.00 0.21 0.00 0.00 66.02 66.02 3ish s SER 85 CO 0.06 -0.24 0.99 -0.75 0.41 0.00 0.00 173.24 173.71 3ish s LYS 86 N -2.77 4.62 -0.15 12.44 2.47 -1.26 -0.97 119.74 134.12 3ish s LYS 86 Ca 0.06 1.47 -0.04 0.00 -1.56 0.00 0.00 55.97 55.90 3ish s LYS 86 Cb -0.03 -3.40 0.05 0.00 -1.46 0.00 0.00 37.83 32.99 3ish s LYS 86 CO 0.01 0.07 0.07 0.21 0.16 0.00 0.00 175.35 175.87 3ish s LYS 87 N 0.45 0.17 5.66 4.03 2.20 -0.01 -4.86 119.74 127.36 3ish s LYS 87 Ca 0.50 -0.07 0.00 0.00 -0.36 0.00 0.00 55.97 56.04 3ish s LYS 87 Cb -0.23 -1.67 0.00 0.00 -1.51 0.00 0.00 37.83 34.42 3ish s LYS 87 CO 0.29 -0.60 0.00 -0.25 -0.36 0.00 0.00 175.35 174.43 3ish n ASP 88 N 5.24 0.00 -1.72 1.43 8.00 -1.26 -0.56 116.55 127.68 3ish n ASP 88 Ca -0.07 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.29 3ish n ASP 88 Cb 0.49 0.00 0.19 0.00 -0.02 0.00 0.00 41.12 41.78 3ish n ASP 88 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3ish n SER 89 N 5.29 3.12 -0.56 -2.24 7.64 -1.26 -4.97 113.62 120.65 3ish n SER 89 Ca 0.00 -3.71 0.00 0.00 1.01 0.00 0.00 58.87 56.17 3ish n SER 89 Cb 0.00 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 3ish n SER 89 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ish n HIS 90 N -1.14 0.00 -4.20 1.43 1.44 0.27 -4.96 115.22 108.06 3ish n HIS 90 Ca 0.47 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.99 3ish n HIS 90 Cb 1.36 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 31.35 3ish n HIS 90 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 3ish s PHE 91 N -0.86 1.33 -0.19 -1.40 0.40 -0.13 -0.83 117.98 116.31 3ish s PHE 91 Ca 0.00 -0.47 -0.03 0.00 -0.60 0.00 0.00 56.93 55.83 3ish s PHE 91 Cb 0.00 -0.74 -0.01 0.00 0.51 0.00 0.00 43.02 42.78 3ish s PHE 91 CO 0.00 0.09 -0.07 0.08 0.70 0.00 0.00 175.22 176.02 3ish s VAL 92 N -1.44 3.26 -0.29 -0.44 1.01 -0.15 -1.44 120.40 120.92 3ish s VAL 92 Ca 0.01 -0.55 -0.15 0.00 0.00 0.00 0.00 61.98 61.29 3ish s VAL 92 Cb -0.09 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 3ish s VAL 92 CO 0.03 0.46 0.38 -0.63 0.00 0.00 0.00 175.10 175.34 3ish s ILE 93 N 1.08 5.16 -0.30 2.22 1.09 0.19 -1.77 121.20 128.87 3ish s ILE 93 Ca 0.01 0.47 -0.11 0.00 -1.10 0.00 0.00 60.65 59.92 3ish s ILE 93 Cb -0.15 -3.74 -0.03 0.00 -1.06 0.00 0.00 42.46 37.49 3ish s ILE 93 CO -0.01 0.09 0.18 -0.22 -0.10 0.00 0.00 174.94 174.89 3ish s LEU 94 N 2.09 4.11 0.45 2.97 2.96 0.13 -1.08 118.68 130.30 3ish s LEU 94 Ca 0.15 -0.24 -0.20 0.00 -0.22 0.00 0.00 54.13 53.62 3ish s LEU 94 Cb -0.16 -2.08 -0.10 0.00 0.50 0.00 0.00 46.19 44.35 3ish s LEU 94 CO 0.10 -0.13 0.95 0.00 -1.32 0.00 0.00 176.35 175.96 3ish s ALA 95 N 1.71 3.06 0.43 5.97 0.00 0.87 0.49 121.76 134.29 3ish s ALA 95 Ca 0.06 0.32 0.17 0.00 0.00 0.00 0.00 51.96 52.51 3ish s ALA 95 Cb -0.16 -3.13 1.05 0.00 0.00 0.00 0.00 23.12 20.88 3ish s ALA 95 CO 0.09 0.04 1.99 0.93 0.00 0.00 0.00 175.76 178.81 3ish h GLU 96 N 1.65 0.00 -0.00 0.00 5.08 -1.36 -0.28 114.58 119.67 3ish h GLU 96 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 3ish h GLU 96 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3ish h GLU 96 CO 0.61 0.19 0.00 -0.40 -1.00 0.00 0.00 179.01 178.42 3ish n ASP 97 N -4.17 0.02 0.00 1.42 3.85 -1.26 -4.92 116.55 111.49 3ish n ASP 97 Ca -0.02 -1.88 0.00 0.00 -0.71 0.00 0.00 54.79 52.18 3ish n ASP 97 Cb 0.26 -0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.03 3ish n ASP 97 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3ish n GLY 98 N 0.56 2.39 3.79 6.12 0.00 -0.12 -5.05 105.19 112.89 3ish n GLY 98 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 3ish n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ish s LYS 99 N -0.74 3.15 0.07 1.61 1.02 -1.26 -4.78 119.74 118.82 3ish s LYS 99 Ca 0.00 1.27 0.09 0.00 0.02 0.00 0.00 55.97 57.35 3ish s LYS 99 Cb 0.00 -2.01 -0.03 0.00 -0.52 0.00 0.00 37.83 35.27 3ish s LYS 99 CO 0.00 -0.96 -0.24 0.99 -0.92 0.00 0.00 175.35 174.22 3ish s THR 100 N -2.41 2.00 -0.00 2.17 2.01 -1.26 -0.09 115.64 118.06 3ish s THR 100 Ca 0.65 -1.45 -0.00 0.00 0.31 0.00 0.00 61.69 61.19 3ish s THR 100 Cb -0.18 -1.74 0.00 0.00 0.01 0.00 0.00 72.50 70.59 3ish s THR 100 CO 0.38 0.21 0.01 -0.36 -0.69 0.00 0.00 174.62 174.17 3ish s PHE 101 N -0.91 -0.00 0.01 4.92 0.40 -0.24 -4.98 117.98 117.17 3ish s PHE 101 Ca 0.11 0.01 -0.00 0.00 -0.60 0.00 0.00 56.93 56.44 3ish s PHE 101 Cb -0.10 -0.00 -0.04 0.00 0.51 0.00 0.00 43.02 43.39 3ish s PHE 101 CO 0.03 -0.01 0.12 -1.21 0.70 0.00 0.00 175.22 174.85 3ish s GLU 102 N -0.03 3.17 -0.04 0.44 2.02 -1.26 0.53 118.70 123.52 3ish s GLU 102 Ca -0.00 -0.47 -0.08 0.00 0.02 0.00 0.00 54.97 54.44 3ish s GLU 102 Cb -0.00 -2.92 0.01 0.00 0.10 0.00 0.00 34.13 31.32 3ish s GLU 102 CO -0.00 0.64 0.19 0.00 0.02 0.00 0.00 175.26 176.11 3ish s ALA 103 N -1.29 -0.46 0.13 5.21 0.00 -0.52 -3.01 121.76 121.82 3ish s ALA 103 Ca 0.26 0.31 -0.14 0.00 0.00 0.00 0.00 51.96 52.40 3ish s ALA 103 Cb -0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 3ish s ALA 103 CO 0.18 -0.15 1.54 -0.22 0.00 0.00 0.00 175.76 177.11 3ish h LYS 104 N 5.16 0.78 -4.76 0.00 3.64 -0.85 -0.30 116.57 120.24 3ish h LYS 104 Ca -0.28 -0.29 -0.27 0.00 -1.27 0.00 0.00 60.65 58.55 3ish h LYS 104 Cb 1.19 -0.05 -0.17 0.00 -0.41 0.00 0.00 32.23 32.80 3ish h LYS 104 CO 0.39 0.90 -0.71 -1.54 -2.27 0.00 0.00 179.45 176.22 3ish s SER 105 N -6.38 1.23 -0.02 4.20 1.04 -0.61 -4.58 113.70 108.58 3ish s SER 105 Ca -0.12 -0.88 0.01 0.00 0.48 0.00 0.00 55.95 55.44 3ish s SER 105 Cb 0.10 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.28 3ish s SER 105 CO 0.82 -0.35 -0.05 -0.69 0.98 0.00 0.00 173.24 173.94 3ish s VAL 106 N -2.90 0.44 -0.22 5.02 1.01 -0.56 -1.15 120.40 122.05 3ish s VAL 106 Ca 0.07 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.82 3ish s VAL 106 Cb 0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 36.38 35.96 3ish s VAL 106 CO -0.02 0.15 -0.03 -0.63 0.00 0.00 0.00 175.10 174.57 3ish s ILE 107 N 0.21 3.51 -0.37 2.22 1.01 -0.07 -1.04 121.20 126.67 3ish s ILE 107 Ca -0.02 -0.45 -0.24 0.00 0.00 0.00 0.00 60.65 59.94 3ish s ILE 107 Cb -0.06 -2.60 0.01 0.00 0.01 0.00 0.00 42.46 39.82 3ish s ILE 107 CO -0.00 0.42 0.85 -0.63 0.00 0.00 0.00 174.94 175.57 3ish s ILE 108 N 1.44 4.66 -0.30 2.92 -1.09 0.03 -0.33 121.20 128.52 3ish s ILE 108 Ca 0.05 1.00 0.18 0.00 -2.23 0.00 0.00 60.65 59.65 3ish s ILE 108 Cb -0.14 -4.27 0.48 0.00 -1.58 0.00 0.00 42.46 36.94 3ish s ILE 108 CO -0.02 -0.50 1.06 0.00 -1.23 0.00 0.00 174.94 174.26 3ish n ALA 109 N 6.60 3.40 0.94 9.38 0.00 0.23 -1.71 120.51 139.35 3ish n ALA 109 Ca 0.05 -3.15 0.12 0.00 0.00 0.00 0.00 53.44 50.45 3ish n ALA 109 Cb 0.48 -0.80 0.24 0.00 0.00 0.00 0.00 19.45 19.37 3ish n ALA 109 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3ish n THR 110 N -0.42 0.04 -4.52 0.00 5.66 -1.14 -4.29 114.28 109.61 3ish n THR 110 Ca 0.15 -0.04 0.00 0.00 -3.05 0.00 0.00 64.05 61.12 3ish n THR 110 Cb 0.81 0.20 0.00 0.00 -1.55 0.00 0.00 70.33 69.79 3ish n THR 110 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3ish n GLY 111 N 1.48 2.84 0.00 1.09 0.00 -1.26 -4.65 105.19 104.69 3ish n GLY 111 Ca 0.05 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3ish n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ish n GLY 112 N 0.00 1.29 3.54 -0.02 0.00 -1.26 -1.44 105.19 107.30 3ish n GLY 112 Ca 0.00 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 45.08 3ish n GLY 112 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ish s SER 113 N 0.14 -0.52 0.27 1.61 1.04 0.94 -4.87 113.70 112.31 3ish s SER 113 Ca 0.00 0.54 -0.31 0.00 0.48 0.00 0.00 55.95 56.66 3ish s SER 113 Cb 0.00 0.43 -0.12 0.00 0.10 0.00 0.00 66.02 66.42 3ish s SER 113 CO 0.00 -0.49 1.54 -2.65 0.98 0.00 0.00 173.24 172.62 3ish n PRO 114 N 0.77 2.49 -2.04 4.02 -0.02 -1.26 -0.24 135.00 138.72 3ish n PRO 114 Ca -0.15 0.89 -0.41 0.00 -2.02 0.00 0.00 63.50 61.81 3ish n PRO 114 Cb 0.58 -2.63 -0.02 0.00 -0.02 0.00 0.00 33.50 31.41 3ish n PRO 114 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3ish s LYS 115 N -0.35 4.29 0.58 -0.52 1.02 -0.25 -4.83 119.74 119.68 3ish s LYS 115 Ca 0.66 2.30 -0.01 0.00 0.02 0.00 0.00 55.97 58.94 3ish s LYS 115 Cb -0.55 -3.06 0.04 0.00 -0.52 0.00 0.00 37.83 33.73 3ish s LYS 115 CO 0.48 -0.31 0.83 1.03 -0.92 0.00 0.00 175.35 176.46 3ish s ARG 116 N -1.46 2.50 -0.00 1.68 0.52 -1.26 -4.65 118.95 116.28 3ish s ARG 116 Ca 0.52 -0.62 0.00 0.00 -0.52 0.00 0.00 55.73 55.11 3ish s ARG 116 Cb -0.41 -2.41 -0.00 0.00 0.52 0.00 0.00 34.95 32.64 3ish s ARG 116 CO 0.52 -0.81 0.00 -2.37 0.02 0.00 0.00 175.30 172.66 3ish n THR 117 N -2.47 0.01 -1.00 0.02 5.66 -1.26 -5.01 114.28 110.23 3ish n THR 117 Ca 0.07 -0.01 -0.00 0.00 -3.05 0.00 0.00 64.05 61.07 3ish n THR 117 Cb 0.60 -0.77 -0.00 0.00 -1.55 0.00 0.00 70.33 68.60 3ish n THR 117 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3ish n GLY 118 N 2.92 0.24 3.76 1.09 0.00 -1.26 -4.99 105.19 106.95 3ish n GLY 118 Ca -0.00 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3ish n GLY 118 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ish s ILE 119 N -1.46 2.28 0.07 -0.61 1.01 -1.26 -4.93 121.20 116.31 3ish s ILE 119 Ca 0.00 0.24 -0.32 0.00 0.00 0.00 0.00 60.65 60.58 3ish s ILE 119 Cb 0.00 -3.14 -0.11 0.00 0.01 0.00 0.00 42.46 39.23 3ish s ILE 119 CO 0.00 0.03 1.86 1.17 0.00 0.00 0.00 174.94 178.00 3ish n LYS 120 N -0.28 2.68 0.00 2.79 4.81 -1.26 -2.25 118.16 124.65 3ish n LYS 120 Ca 0.06 0.98 0.00 0.00 -0.87 0.00 0.00 58.31 58.48 3ish n LYS 120 Cb 0.43 -2.87 0.00 0.00 0.02 0.00 0.00 35.03 32.61 3ish n LYS 120 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ish n GLY 121 N 4.29 0.40 0.20 3.14 0.00 -1.26 0.70 105.19 112.66 3ish n GLY 121 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 3ish n GLY 121 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3ish h GLU 122 N 3.99 0.63 0.10 1.61 4.81 -1.76 -1.25 114.58 122.71 3ish h GLU 122 Ca 0.00 -0.14 -0.17 0.00 -0.13 0.00 0.00 59.36 58.93 3ish h GLU 122 Cb 0.00 -0.09 0.02 0.00 0.63 0.00 0.00 28.75 29.31 3ish h GLU 122 CO 0.00 0.63 -0.71 1.03 -0.73 0.00 0.00 179.01 179.24 3ish h SER 123 N 0.51 0.45 -1.00 1.04 0.87 -1.94 -2.60 113.55 110.88 3ish h SER 123 Ca 0.13 -0.91 0.20 0.00 -1.23 0.00 0.00 61.79 59.98 3ish h SER 123 Cb 0.27 -0.14 -0.11 0.00 -0.44 0.00 0.00 62.40 61.98 3ish h SER 123 CO -0.00 1.32 0.61 -0.08 -0.53 0.00 0.00 176.83 178.15 3ish h GLU 124 N -0.35 0.71 -0.34 2.24 4.81 -1.96 -2.96 114.58 116.72 3ish h GLU 124 Ca -0.12 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 3ish h GLU 124 Cb 1.52 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.74 3ish h GLU 124 CO 0.13 0.47 0.00 0.66 -0.73 0.00 0.00 179.01 179.54 3ish n TYR 125 N -4.79 0.45 -1.71 0.92 4.02 -0.48 -4.95 117.16 110.63 3ish n TYR 125 Ca 0.24 -0.37 -0.43 0.00 -0.01 0.00 0.00 57.90 57.34 3ish n TYR 125 Cb 0.61 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.89 3ish n TYR 125 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 176.86 175.39 3ish s TRP 126 N -1.06 1.35 0.00 -0.72 -0.11 -0.98 -1.09 118.94 116.33 3ish s TRP 126 Ca 0.27 0.27 0.00 0.00 1.22 0.00 0.00 56.10 57.87 3ish s TRP 126 Cb 0.15 -4.04 0.00 0.00 -1.50 0.00 0.00 33.47 28.09 3ish s TRP 126 CO 0.20 -4.28 0.00 0.41 -4.62 0.00 0.00 176.95 168.66 3ish n GLY 127 N 5.28 0.66 1.46 5.86 0.00 -0.89 -4.89 105.19 112.67 3ish n GLY 127 Ca 0.25 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.15 3ish n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ish n LYS 128 N -2.00 2.68 0.00 1.61 5.02 -0.25 -4.85 118.16 120.38 3ish n LYS 128 Ca 0.00 -3.73 0.00 0.00 -2.02 0.00 0.00 58.31 52.56 3ish n LYS 128 Cb 0.00 -2.00 0.00 0.00 -0.02 0.00 0.00 35.03 33.01 3ish n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ish n GLY 129 N -0.91 0.98 3.39 0.72 0.00 -1.23 -1.53 105.19 106.61 3ish n GLY 129 Ca 0.35 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.04 3ish n GLY 129 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ish s VAL 130 N -2.00 3.33 0.12 1.61 1.01 -1.10 0.24 120.40 123.61 3ish s VAL 130 Ca 0.00 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.35 3ish s VAL 130 Cb 0.00 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 3ish s VAL 130 CO 0.00 0.50 0.20 -0.55 0.00 0.00 0.00 175.10 175.25 3ish s SER 131 N 0.59 0.13 0.00 3.32 0.15 0.53 -2.09 113.70 116.33 3ish s SER 131 Ca -0.06 -0.82 0.00 0.00 0.70 0.00 0.00 55.95 55.78 3ish s SER 131 Cb -0.15 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 3ish s SER 131 CO 0.03 -0.79 0.22 0.41 1.20 0.00 0.00 173.24 174.31 3ish n THR 132 N -0.12 0.00 -3.55 6.45 -1.04 -1.26 -0.19 114.28 114.57 3ish n THR 132 Ca -0.11 -0.24 -0.27 0.00 -2.04 0.00 0.00 64.05 61.39 3ish n THR 132 Cb 0.63 1.48 -0.15 0.00 -1.82 0.00 0.00 70.33 70.46 3ish n THR 132 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ish h ALA 134 N 8.40 0.39 -0.56 0.00 0.00 -1.95 -1.70 119.26 123.84 3ish h ALA 134 Ca -0.18 -0.59 0.07 0.00 0.00 0.00 0.00 54.91 54.20 3ish h ALA 134 Cb 1.05 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 3ish h ALA 134 CO 0.39 0.70 0.25 1.15 0.00 0.00 0.00 179.25 181.74 3ish h THR 135 N 0.50 0.87 -0.20 0.00 2.02 -1.99 0.38 112.91 114.49 3ish h THR 135 Ca -0.04 -0.16 -0.09 0.00 0.77 0.00 0.00 66.41 66.88 3ish h THR 135 Cb 1.36 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 68.12 3ish h THR 135 CO 0.15 0.09 -0.24 0.00 0.37 0.00 0.00 175.52 175.88 3ish n ASP 137 N -4.39 0.58 -0.35 0.00 10.43 -0.65 -4.71 116.55 117.47 3ish n ASP 137 Ca -0.05 -0.79 -0.01 0.00 2.57 0.00 0.00 54.79 56.50 3ish n ASP 137 Cb 0.43 0.60 0.12 0.00 1.84 0.00 0.00 41.12 44.11 3ish n ASP 137 CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 3ish h GLY 138 N 0.63 1.36 0.96 0.44 0.00 -0.41 -2.76 103.07 103.29 3ish h GLY 138 Ca 0.00 -0.47 0.10 0.00 0.00 0.00 0.00 47.33 46.96 3ish h GLY 138 CO 0.00 0.42 0.44 -2.75 0.00 0.00 0.00 176.54 174.65 3ish h PHE 139 N 1.21 0.52 0.00 5.60 3.57 -1.84 -1.60 116.94 124.40 3ish h PHE 139 Ca 0.37 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.88 3ish h PHE 139 Cb -0.04 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.53 3ish h PHE 139 CO -0.01 0.24 0.13 0.74 -2.23 0.00 0.00 178.31 177.18 3ish h PHE 140 N 0.49 0.00 -0.49 0.41 0.05 -1.82 -2.90 116.94 112.68 3ish h PHE 140 Ca 0.31 0.00 -0.19 0.00 3.82 0.00 0.00 57.97 61.90 3ish h PHE 140 Cb 0.55 0.00 -0.12 0.00 2.00 0.00 0.00 35.95 38.38 3ish h PHE 140 CO -0.00 0.00 0.11 0.66 -0.18 0.00 0.00 178.31 178.90 3ish n TYR 141 N -2.73 1.57 -0.22 -0.55 4.02 -0.60 -4.88 117.16 113.77 3ish n TYR 141 Ca -0.02 -1.41 -0.07 0.00 -0.01 0.00 0.00 57.90 56.40 3ish n TYR 141 Cb 0.18 -0.55 -0.01 0.00 -0.02 0.00 0.00 39.34 38.93 3ish n TYR 141 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 3ish h LYS 142 N 1.45 -0.18 -0.63 -0.72 3.64 -1.63 -2.13 116.57 116.37 3ish h LYS 142 Ca 0.24 0.01 -0.21 0.00 -1.27 0.00 0.00 60.65 59.42 3ish h LYS 142 Cb 1.90 0.04 -0.13 0.00 -0.41 0.00 0.00 32.23 33.63 3ish h LYS 142 CO 0.51 -0.12 0.21 0.09 -2.27 0.00 0.00 179.45 177.88 3ish n ASN 143 N -5.42 4.16 -4.90 4.20 3.02 -1.26 -3.62 115.26 111.44 3ish n ASN 143 Ca 0.03 -3.33 -0.25 0.00 -0.03 0.00 0.00 54.58 51.00 3ish n ASN 143 Cb 0.35 -0.71 -0.01 0.00 -0.61 0.00 0.00 39.78 38.81 3ish n ASN 143 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3ish s LYS 144 N -3.05 2.29 0.09 3.52 1.02 -0.80 -3.88 119.74 118.93 3ish s LYS 144 Ca 0.52 -1.93 -0.02 0.00 0.02 0.00 0.00 55.97 54.55 3ish s LYS 144 Cb 0.42 -2.16 -0.05 0.00 -0.52 0.00 0.00 37.83 35.53 3ish s LYS 144 CO 0.10 -0.56 0.28 -1.21 -0.92 0.00 0.00 175.35 173.04 3ish s GLU 145 N -4.27 3.52 0.02 1.68 2.02 -1.26 0.53 118.70 120.93 3ish s GLU 145 Ca 0.38 -0.28 -0.10 0.00 0.02 0.00 0.00 54.97 54.99 3ish s GLU 145 Cb -0.02 -2.96 0.01 0.00 0.10 0.00 0.00 34.13 31.25 3ish s GLU 145 CO 0.23 0.55 0.20 0.54 0.02 0.00 0.00 175.26 176.81 3ish s VAL 146 N -1.56 0.09 0.05 2.63 0.11 -0.49 -4.06 120.40 117.17 3ish s VAL 146 Ca 0.37 -0.73 0.08 0.00 -2.93 0.00 0.00 61.98 58.77 3ish s VAL 146 Cb -0.13 -0.69 -0.03 0.00 -1.53 0.00 0.00 36.38 34.00 3ish s VAL 146 CO 0.26 -0.40 -0.21 0.00 -3.33 0.00 0.00 175.10 171.41 3ish s ALA 147 N -1.91 2.48 -0.06 1.54 0.00 -0.55 -0.48 121.76 122.79 3ish s ALA 147 Ca -0.10 -1.23 0.05 0.00 0.00 0.00 0.00 51.96 50.68 3ish s ALA 147 Cb -0.04 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.43 3ish s ALA 147 CO -0.00 0.56 -0.22 0.08 0.00 0.00 0.00 175.76 176.18 3ish s VAL 148 N -0.90 1.81 -0.13 0.00 1.01 0.67 -0.45 120.40 122.41 3ish s VAL 148 Ca 0.14 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.21 3ish s VAL 148 Cb -0.10 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 3ish s VAL 148 CO 0.04 0.51 -0.17 -0.22 0.00 0.00 0.00 175.10 175.26 3ish s LEU 149 N -0.01 2.45 0.00 3.92 0.20 -0.35 -0.35 118.68 124.55 3ish s LEU 149 Ca -0.06 -0.44 0.00 0.00 0.69 0.00 0.00 54.13 54.32 3ish s LEU 149 Cb -0.14 -1.54 0.00 0.00 -0.43 0.00 0.00 46.19 44.09 3ish s LEU 149 CO 0.04 0.14 0.00 0.61 -0.29 0.00 0.00 176.35 176.84 3ish n GLY 150 N 3.70 3.89 0.00 7.98 0.00 -1.00 -0.72 105.19 119.05 3ish n GLY 150 Ca -0.19 -1.19 0.02 0.00 0.00 0.00 0.00 46.02 44.66 3ish n GLY 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ish n GLY 151 N -1.55 -0.15 0.00 -0.02 0.00 -1.26 -4.63 105.19 97.58 3ish n GLY 151 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3ish n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ish n GLY 152 N 2.32 2.05 0.06 -0.02 0.00 -1.26 -2.51 105.19 105.83 3ish n GLY 152 Ca -0.01 -1.90 -0.13 0.00 0.00 0.00 0.00 46.02 43.98 3ish n GLY 152 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ish h ASP 153 N 0.00 -0.02 -0.60 1.61 3.32 -1.95 -2.86 116.42 115.93 3ish h ASP 153 Ca 0.00 -0.41 0.07 0.00 0.02 0.00 0.00 57.03 56.71 3ish h ASP 153 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.50 3ish h ASP 153 CO 0.00 0.40 0.28 0.00 -1.72 0.00 0.00 179.24 178.20 3ish h THR 154 N -0.44 0.88 0.05 0.35 1.03 -1.95 0.16 112.91 113.00 3ish h THR 154 Ca -0.00 -0.18 0.01 0.00 -0.01 0.00 0.00 66.41 66.23 3ish h THR 154 Cb 0.42 0.32 -0.02 0.00 -1.07 0.00 0.00 68.15 67.80 3ish h THR 154 CO 0.00 0.09 -0.10 0.00 -0.01 0.00 0.00 175.52 175.50 3ish h ALA 155 N 1.36 -0.16 -0.32 0.00 0.00 -1.77 0.22 119.26 118.60 3ish h ALA 155 Ca 0.28 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 3ish h ALA 155 Cb 0.26 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3ish h ALA 155 CO -0.23 -0.61 -0.05 0.28 0.00 0.00 0.00 179.25 178.64 3ish h VAL 156 N -0.20 1.27 -0.79 0.00 2.07 -1.28 -1.58 116.25 115.75 3ish h VAL 156 Ca 0.02 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.47 3ish h VAL 156 Cb 0.22 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 3ish h VAL 156 CO -0.07 0.35 0.51 -0.33 0.02 0.00 0.00 177.57 178.04 3ish h GLU 157 N 0.38 1.04 -0.08 1.57 4.39 -0.48 -1.22 114.58 120.18 3ish h GLU 157 Ca 0.08 -0.07 -0.13 0.00 0.34 0.00 0.00 59.36 59.58 3ish h GLU 157 Cb 0.53 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 3ish h GLU 157 CO 0.03 0.71 -0.54 0.93 -1.16 0.00 0.00 179.01 178.97 3ish h GLU 158 N 1.07 0.23 -0.48 2.33 4.39 -0.50 -1.14 114.58 120.47 3ish h GLU 158 Ca 0.29 -0.14 -0.06 0.00 0.34 0.00 0.00 59.36 59.79 3ish h GLU 158 Cb -0.10 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 3ish h GLU 158 CO -0.06 0.71 0.08 0.00 -1.16 0.00 0.00 179.01 178.58 3ish h ALA 159 N 1.26 0.64 -0.37 3.43 0.00 -0.88 -0.02 119.26 123.32 3ish h ALA 159 Ca 0.00 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.71 3ish h ALA 159 Cb 1.01 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 3ish h ALA 159 CO 0.08 0.37 0.19 -0.84 0.00 0.00 0.00 179.25 179.05 3ish h ILE 160 N 0.67 0.99 -0.98 0.00 3.07 -1.02 -1.32 117.51 118.92 3ish h ILE 160 Ca 0.15 -0.13 0.01 0.00 1.55 0.00 0.00 64.86 66.44 3ish h ILE 160 Cb 0.39 0.57 -0.05 0.00 -0.27 0.00 0.00 36.82 37.46 3ish h ILE 160 CO 0.01 0.07 0.65 0.22 -1.05 0.00 0.00 178.15 178.05 3ish h TYR 161 N 0.39 1.23 0.00 0.16 3.20 -0.90 -2.26 116.97 118.78 3ish h TYR 161 Ca 0.16 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 3ish h TYR 161 Cb 0.06 -0.41 -0.01 0.00 1.54 0.00 0.00 36.73 37.90 3ish h TYR 161 CO -0.10 0.76 -0.34 -0.07 -1.64 0.00 0.00 178.16 176.78 3ish h LEU 162 N 1.31 0.00 -1.43 2.82 3.38 -0.65 -1.71 115.31 119.03 3ish h LEU 162 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 3ish h LEU 162 Cb -0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3ish h LEU 162 CO -0.09 0.34 0.00 0.00 0.09 0.00 0.00 178.44 178.78 3ish h ALA 163 N 1.66 1.00 0.00 1.53 0.00 -0.65 0.15 119.26 122.95 3ish h ALA 163 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ish h ALA 163 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3ish h ALA 163 CO 0.04 0.00 -0.08 -1.71 0.00 0.00 0.00 179.25 177.50 3ish n ASN 164 N -2.86 0.37 -0.02 0.00 5.15 -0.64 -4.29 115.26 112.97 3ish n ASN 164 Ca 0.01 0.44 -0.03 0.00 -0.60 0.00 0.00 54.58 54.40 3ish n ASN 164 Cb 0.26 -0.50 -0.02 0.00 -0.53 0.00 0.00 39.78 38.99 3ish n ASN 164 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 3ish n ILE 165 N -1.81 0.21 -3.91 -1.44 5.41 -0.61 -5.07 119.36 112.14 3ish n ILE 165 Ca 0.06 -0.08 -0.22 0.00 1.00 0.00 0.00 62.75 63.52 3ish n ILE 165 Cb 0.38 -0.77 -0.02 0.00 -0.71 0.00 0.00 39.64 38.52 3ish n ILE 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3ish h LYS 167 N 1.22 1.13 -2.37 0.00 3.64 -0.03 -3.44 116.57 116.71 3ish h LYS 167 Ca -0.51 -0.23 -0.05 0.00 -1.27 0.00 0.00 60.65 58.59 3ish h LYS 167 Cb 1.23 -0.17 -0.17 0.00 -0.41 0.00 0.00 32.23 32.70 3ish h LYS 167 CO 0.62 0.95 0.16 0.21 -2.27 0.00 0.00 179.45 179.12 3ish s LYS 168 N -5.43 1.10 -0.10 1.90 2.36 -0.94 -4.96 119.74 113.67 3ish s LYS 168 Ca -0.12 0.00 -0.01 0.00 -2.55 0.00 0.00 55.97 53.30 3ish s LYS 168 Cb 0.15 0.51 0.03 0.00 -1.05 0.00 0.00 37.83 37.47 3ish s LYS 168 CO 0.84 -0.39 -0.05 0.08 1.55 0.00 0.00 175.35 177.38 3ish s VAL 169 N -1.99 0.77 -0.17 4.02 1.01 -0.48 -1.39 120.40 122.17 3ish s VAL 169 Ca -0.07 -0.13 -0.19 0.00 0.00 0.00 0.00 61.98 61.59 3ish s VAL 169 Cb -0.00 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 3ish s VAL 169 CO 0.03 0.32 0.52 -0.31 0.00 0.00 0.00 175.10 175.66 3ish s TYR 170 N 1.81 3.42 -0.39 5.22 1.51 0.37 -0.80 117.35 128.49 3ish s TYR 170 Ca 0.05 0.84 -0.11 0.00 -1.01 0.00 0.00 57.07 56.83 3ish s TYR 170 Cb -0.12 -2.65 0.03 0.00 -0.11 0.00 0.00 41.96 39.11 3ish s TYR 170 CO -0.07 -0.02 0.23 -1.17 -1.11 0.00 0.00 175.55 173.41 3ish s LEU 171 N 1.33 4.85 -0.15 -1.29 2.96 0.32 -0.24 118.68 126.46 3ish s LEU 171 Ca 0.26 -1.06 -0.04 0.00 -0.22 0.00 0.00 54.13 53.07 3ish s LEU 171 Cb -0.15 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 3ish s LEU 171 CO 0.10 -0.42 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.05 3ish s ILE 172 N 1.56 3.95 -0.06 6.68 1.01 0.53 -0.67 121.20 134.20 3ish s ILE 172 Ca 0.02 -0.34 -0.13 0.00 0.00 0.00 0.00 60.65 60.20 3ish s ILE 172 Cb -0.20 -2.73 0.03 0.00 0.01 0.00 0.00 42.46 39.57 3ish s ILE 172 CO 0.07 0.50 0.32 -2.28 0.00 0.00 0.00 174.94 173.54 3ish s HIS 173 N 0.29 -0.26 -0.57 3.97 2.46 -0.90 -2.37 115.29 117.90 3ish s HIS 173 Ca -0.03 0.53 0.26 0.00 0.47 0.00 0.00 55.06 56.29 3ish s HIS 173 Cb -0.14 0.11 0.84 0.00 -0.13 0.00 0.00 32.58 33.26 3ish s HIS 173 CO 0.03 -0.30 1.75 0.07 -2.47 0.00 0.00 174.74 173.82 3ish h ARG 174 N 4.62 0.00 -5.11 2.88 0.11 -1.85 -0.39 114.38 114.63 3ish h ARG 174 Ca -0.28 0.00 -0.37 0.00 0.10 0.00 0.00 59.98 59.42 3ish h ARG 174 Cb 1.18 0.00 -0.22 0.00 1.11 0.00 0.00 29.97 32.04 3ish h ARG 174 CO 0.35 0.00 -0.77 0.50 0.10 0.00 0.00 179.97 180.16 3ish s ARG 175 N -3.21 0.74 0.41 0.08 3.52 -1.26 -4.51 118.95 114.71 3ish s ARG 175 Ca 0.08 -0.88 0.22 0.00 -0.13 0.00 0.00 55.73 55.02 3ish s ARG 175 Cb 0.10 -0.68 0.77 0.00 -1.56 0.00 0.00 34.95 33.59 3ish s ARG 175 CO 0.54 0.15 1.76 -0.44 -0.81 0.00 0.00 175.30 176.51 3ish h ASP 176 N 4.41 0.00 -3.26 -2.12 3.32 -1.94 -3.45 116.42 113.38 3ish h ASP 176 Ca -0.39 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.09 3ish h ASP 176 Cb 1.19 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.70 3ish h ASP 176 CO 0.41 0.27 -0.10 -0.83 -1.72 0.00 0.00 179.24 177.27 3ish s GLY 177 N -4.31 2.50 -0.23 2.75 0.00 -1.26 -5.10 107.32 101.66 3ish s GLY 177 Ca 0.01 -0.12 -0.00 0.00 0.00 0.00 0.00 44.72 44.60 3ish s GLY 177 CO 0.66 0.19 -0.11 -1.36 0.00 0.00 0.00 173.10 172.48 3ish s PHE 178 N -1.35 3.01 -0.57 1.90 0.40 -1.26 -5.01 117.98 115.10 3ish s PHE 178 Ca 0.34 -1.67 -0.25 0.00 -0.60 0.00 0.00 56.93 54.75 3ish s PHE 178 Cb -0.16 -2.00 -0.22 0.00 0.51 0.00 0.00 43.02 41.15 3ish s PHE 178 CO 0.18 -0.77 1.83 0.54 0.70 0.00 0.00 175.22 177.71 3ish n ARG 179 N 4.62 1.07 -3.99 0.44 1.74 -1.05 -4.78 116.66 114.72 3ish n ARG 179 Ca -0.17 -1.62 -0.09 0.00 -0.77 0.00 0.00 57.85 55.19 3ish n ARG 179 Cb 0.47 -2.83 -0.05 0.00 -1.02 0.00 0.00 32.46 29.03 3ish n ARG 179 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ish n ALA 181 N -0.40 2.84 0.19 0.00 0.00 -1.26 -4.93 120.51 116.94 3ish n ALA 181 Ca -0.02 0.40 0.04 0.00 0.00 0.00 0.00 53.44 53.86 3ish n ALA 181 Cb 0.62 -2.52 0.38 0.00 0.00 0.00 0.00 19.45 17.93 3ish n ALA 181 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3ish h PRO 182 N 6.62 0.00 -0.03 0.00 0.11 -1.99 -2.60 132.00 134.11 3ish h PRO 182 Ca -0.43 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.57 3ish h PRO 182 Cb 1.20 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.32 3ish h PRO 182 CO 0.95 0.36 -0.38 0.97 -0.21 0.00 0.00 178.00 179.68 3ish h ILE 183 N 0.00 1.46 -0.42 4.15 -0.00 -2.00 -2.56 117.51 118.14 3ish h ILE 183 Ca -0.00 -1.89 0.08 0.00 -0.00 0.00 0.00 64.86 63.05 3ish h ILE 183 Cb 0.66 2.53 -0.07 0.00 -0.00 0.00 0.00 36.82 39.94 3ish h ILE 183 CO 0.05 0.54 -0.01 0.71 -0.00 0.00 0.00 178.15 179.43 3ish h THR 184 N -0.24 0.67 -0.94 2.19 1.35 -1.95 0.30 112.91 114.29 3ish h THR 184 Ca -0.04 -0.03 0.27 0.00 -0.55 0.00 0.00 66.41 66.06 3ish h THR 184 Cb 1.08 0.56 -0.04 0.00 -1.73 0.00 0.00 68.15 68.02 3ish h THR 184 CO 0.08 0.02 0.69 0.25 -0.25 0.00 0.00 175.52 176.30 3ish h LEU 185 N 0.10 0.00 0.02 3.87 6.46 -1.46 -2.64 115.31 121.65 3ish h LEU 185 Ca 0.21 0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.87 3ish h LEU 185 Cb 0.30 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.24 3ish h LEU 185 CO -0.36 0.00 -0.41 -0.33 -0.62 0.00 0.00 178.44 176.72 3ish h GLU 186 N 0.00 0.24 -0.72 1.25 5.08 -0.53 -1.86 114.58 118.04 3ish h GLU 186 Ca 0.45 -0.28 0.16 0.00 -1.00 0.00 0.00 59.36 58.68 3ish h GLU 186 Cb 1.82 0.09 -0.12 0.00 0.50 0.00 0.00 28.75 31.04 3ish h GLU 186 CO -0.00 1.03 0.01 0.45 -1.00 0.00 0.00 179.01 179.49 3ish h HIS 187 N -0.43 -0.04 -0.21 4.33 3.86 -1.00 -0.45 115.15 121.21 3ish h HIS 187 Ca -0.06 0.05 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 3ish h HIS 187 Cb 1.19 0.13 -0.01 0.00 1.06 0.00 0.00 27.41 29.78 3ish h HIS 187 CO 0.18 -0.21 -0.05 0.00 0.86 0.00 0.00 177.93 178.71 3ish h ALA 188 N 1.67 0.29 -0.11 2.45 0.00 -1.50 -0.68 119.26 121.37 3ish h ALA 188 Ca 0.39 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3ish h ALA 188 Cb 0.67 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3ish h ALA 188 CO -0.62 0.07 0.14 0.87 0.00 0.00 0.00 179.25 179.71 3ish h LYS 189 N 0.13 0.00 -0.53 0.00 1.79 -1.11 -2.22 116.57 114.63 3ish h LYS 189 Ca 0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 3ish h LYS 189 Cb 0.50 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 3ish h LYS 189 CO 0.02 0.00 0.00 0.09 -1.08 0.00 0.00 179.45 178.48 3ish n ASN 190 N -3.73 3.46 -4.54 0.86 3.02 -0.20 -4.89 115.26 109.24 3ish n ASN 190 Ca -0.00 -1.98 -0.41 0.00 -0.03 0.00 0.00 54.58 52.16 3ish n ASN 190 Cb 0.25 -0.35 -0.09 0.00 -0.61 0.00 0.00 39.78 38.97 3ish n ASN 190 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3ish s ASN 191 N -1.05 6.20 0.00 6.41 3.84 -0.30 -4.98 114.94 125.07 3ish s ASN 191 Ca 0.37 -0.22 0.17 0.00 0.21 0.00 0.00 52.86 53.40 3ish s ASN 191 Cb 0.20 -2.21 0.79 0.00 -0.55 0.00 0.00 41.25 39.48 3ish s ASN 191 CO 0.26 -0.37 1.55 0.47 -2.79 0.00 0.00 177.10 176.22 3ish n ASP 192 N 5.45 0.00 -0.35 -4.21 8.00 -1.26 -2.94 116.55 121.24 3ish n ASP 192 Ca -0.08 0.36 0.15 0.00 0.71 0.00 0.00 54.79 55.92 3ish n ASP 192 Cb 0.49 -0.43 0.64 0.00 -0.02 0.00 0.00 41.12 41.80 3ish n ASP 192 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3ish n LYS 193 N -1.43 1.47 -3.96 -1.24 4.01 -1.26 -4.82 118.16 110.92 3ish n LYS 193 Ca 0.05 -0.69 -0.34 0.00 -0.51 0.00 0.00 58.31 56.82 3ish n LYS 193 Cb 0.18 -1.49 -0.14 0.00 -0.51 0.00 0.00 35.03 33.08 3ish n LYS 193 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3ish s ILE 194 N -2.01 2.79 -0.23 -0.18 1.01 -1.15 -1.38 121.20 120.06 3ish s ILE 194 Ca 0.40 -1.21 -0.10 0.00 0.00 0.00 0.00 60.65 59.75 3ish s ILE 194 Cb 0.21 -2.50 -0.05 0.00 0.01 0.00 0.00 42.46 40.14 3ish s ILE 194 CO 0.35 0.09 0.13 -0.70 0.00 0.00 0.00 174.94 174.81 3ish s GLU 195 N 1.27 3.99 -0.09 2.79 2.12 0.02 -4.95 118.70 123.85 3ish s GLU 195 Ca -0.03 -0.31 -0.28 0.00 0.36 0.00 0.00 54.97 54.71 3ish s GLU 195 Cb -0.18 -3.46 -0.02 0.00 0.26 0.00 0.00 34.13 30.74 3ish s GLU 195 CO -0.04 0.06 0.93 -0.06 -0.54 0.00 0.00 175.26 175.61 3ish s PHE 196 N 1.03 3.54 -0.48 5.30 0.40 -1.26 -0.52 117.98 125.98 3ish s PHE 196 Ca 0.06 1.51 0.03 0.00 -0.60 0.00 0.00 56.93 57.94 3ish s PHE 196 Cb -0.14 -3.09 0.12 0.00 0.51 0.00 0.00 43.02 40.42 3ish s PHE 196 CO 0.04 -0.14 0.21 -0.51 0.70 0.00 0.00 175.22 175.52 3ish s LEU 197 N 1.67 4.50 -0.00 -0.37 1.43 0.16 -4.92 118.68 121.15 3ish s LEU 197 Ca 0.46 -2.76 0.00 0.00 -1.03 0.00 0.00 54.13 50.80 3ish s LEU 197 Cb -0.18 -1.65 -0.00 0.00 0.03 0.00 0.00 46.19 44.38 3ish s LEU 197 CO 0.19 -0.28 -0.00 -0.89 0.23 0.00 0.00 176.35 175.59 3ish s THR 198 N 0.06 0.04 -0.28 5.49 2.01 -1.26 -2.13 115.64 119.58 3ish s THR 198 Ca 0.15 -0.02 -0.21 0.00 0.31 0.00 0.00 61.69 61.92 3ish s THR 198 Cb -0.24 -0.04 -0.01 0.00 0.01 0.00 0.00 72.50 72.22 3ish s THR 198 CO -0.02 0.01 0.66 -2.16 -0.69 0.00 0.00 174.62 172.42 3ish s PRO 199 N -0.02 4.02 0.20 4.92 0.04 -1.26 -4.99 135.00 137.91 3ish s PRO 199 Ca 0.00 0.49 0.09 0.00 0.04 0.00 0.00 61.00 61.61 3ish s PRO 199 Cb -0.00 -3.69 -0.04 0.00 0.04 0.00 0.00 34.50 30.80 3ish s PRO 199 CO -0.00 -0.51 -0.17 0.71 0.04 0.00 0.00 177.00 177.07 3ish s TYR 200 N 2.62 1.84 0.02 0.56 2.02 -0.16 0.15 117.35 124.41 3ish s TYR 200 Ca 0.27 -0.49 0.04 0.00 -0.37 0.00 0.00 57.07 56.52 3ish s TYR 200 Cb -0.15 -0.87 -0.02 0.00 -0.40 0.00 0.00 41.96 40.52 3ish s TYR 200 CO 0.10 0.40 -0.13 0.08 -1.57 0.00 0.00 175.55 174.43 3ish s VAL 201 N -2.51 1.04 -0.24 0.71 1.01 -0.70 -3.09 120.40 116.62 3ish s VAL 201 Ca 0.21 -0.85 -0.17 0.00 0.00 0.00 0.00 61.98 61.17 3ish s VAL 201 Cb -0.03 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 3ish s VAL 201 CO 0.08 0.07 0.45 -0.69 0.00 0.00 0.00 175.10 175.01 3ish s VAL 202 N -0.69 5.13 -0.13 2.92 1.01 -1.26 -1.78 120.40 125.60 3ish s VAL 202 Ca 0.02 0.77 0.17 0.00 0.00 0.00 0.00 61.98 62.94 3ish s VAL 202 Cb -0.07 -3.77 -0.23 0.00 0.00 0.00 0.00 36.38 32.30 3ish s VAL 202 CO 0.01 0.16 0.40 -0.62 0.00 0.00 0.00 175.10 175.05 3ish n GLU 203 N 5.11 0.66 -3.65 2.72 -0.58 0.92 -4.91 120.64 120.90 3ish n GLU 203 Ca -0.06 0.08 -0.14 0.00 -0.42 0.00 0.00 57.16 56.62 3ish n GLU 203 Cb 0.50 -1.64 -0.08 0.00 -0.57 0.00 0.00 31.44 29.66 3ish n GLU 203 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3ish s GLU 204 N -2.72 0.77 -0.35 3.49 2.12 -1.21 -4.20 118.70 116.61 3ish s GLU 204 Ca -0.07 0.81 -0.15 0.00 0.36 0.00 0.00 54.97 55.92 3ish s GLU 204 Cb 0.08 0.37 -0.01 0.00 0.26 0.00 0.00 34.13 34.83 3ish s GLU 204 CO 0.83 -0.11 0.37 0.42 -0.54 0.00 0.00 175.26 176.23 3ish s ILE 205 N 0.18 5.16 0.04 -3.70 1.01 0.22 -1.98 121.20 122.13 3ish s ILE 205 Ca -0.01 0.03 0.04 0.00 0.00 0.00 0.00 60.65 60.71 3ish s ILE 205 Cb -0.04 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 3ish s ILE 205 CO 0.02 -0.11 -0.06 -0.54 0.00 0.00 0.00 174.94 174.25 3ish s LYS 206 N 2.02 2.48 0.00 2.79 1.02 0.66 -4.40 119.74 124.30 3ish s LYS 206 Ca 0.12 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.31 3ish s LYS 206 Cb -0.17 -2.48 0.00 0.00 -0.52 0.00 0.00 37.83 34.67 3ish s LYS 206 CO 0.12 0.57 0.00 0.41 -0.92 0.00 0.00 175.35 175.53 3ish n GLY 207 N 1.17 1.22 1.44 -3.33 0.00 -1.26 -0.49 105.19 103.94 3ish n GLY 207 Ca -0.14 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 3ish n GLY 207 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ish n ASP 208 N 0.00 1.92 0.17 1.61 5.68 -0.63 -4.86 116.55 120.44 3ish n ASP 208 Ca 0.00 -1.90 0.09 0.00 -0.50 0.00 0.00 54.79 52.48 3ish n ASP 208 Cb 0.00 0.26 0.49 0.00 -1.14 0.00 0.00 41.12 40.74 3ish n ASP 208 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ish h ALA 209 N 1.18 1.11 0.00 2.12 0.00 -2.02 0.00 119.26 121.64 3ish h ALA 209 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3ish h ALA 209 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3ish h ALA 209 CO 0.25 -0.11 -0.71 -1.13 0.00 0.00 0.00 179.25 177.56 3ish n SER 210 N -2.18 0.63 0.00 0.00 3.41 -1.26 -5.08 113.62 109.14 3ish n SER 210 Ca -0.01 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 3ish n SER 210 Cb 0.19 0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 3ish n SER 210 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ish n GLY 211 N 1.38 0.80 3.74 5.00 0.00 -0.01 -4.88 105.19 111.22 3ish n GLY 211 Ca 0.03 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 3ish n GLY 211 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ish s VAL 212 N -1.94 2.54 -0.03 1.61 1.01 -0.58 -1.61 120.40 121.39 3ish s VAL 212 Ca 0.00 0.43 0.07 0.00 0.00 0.00 0.00 61.98 62.48 3ish s VAL 212 Cb 0.00 -3.28 -0.10 0.00 0.00 0.00 0.00 36.38 33.00 3ish s VAL 212 CO 0.00 0.06 0.11 -1.54 0.00 0.00 0.00 175.10 173.73 3ish n SER 213 N 2.67 3.40 -3.54 3.32 3.41 0.35 -4.22 113.62 119.01 3ish n SER 213 Ca 0.09 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.62 3ish n SER 213 Cb 0.39 1.08 -0.02 0.00 -0.26 0.00 0.00 64.21 65.40 3ish n SER 213 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3ish s SER 214 N -3.16 -0.29 -0.10 4.04 1.04 -0.60 -1.38 113.70 113.25 3ish s SER 214 Ca -0.03 0.04 0.01 0.00 0.48 0.00 0.00 55.95 56.45 3ish s SER 214 Cb 0.04 0.29 -0.02 0.00 0.10 0.00 0.00 66.02 66.43 3ish s SER 214 CO 0.28 -0.46 -0.13 -0.76 0.98 0.00 0.00 173.24 173.15 3ish s LEU 215 N -2.22 2.74 -0.26 2.42 1.43 0.36 -0.25 118.68 122.90 3ish s LEU 215 Ca 0.06 -0.28 -0.25 0.00 -1.03 0.00 0.00 54.13 52.63 3ish s LEU 215 Cb -0.01 -1.60 -0.00 0.00 0.03 0.00 0.00 46.19 44.61 3ish s LEU 215 CO -0.06 0.23 0.84 -0.44 0.23 0.00 0.00 176.35 177.15 3ish s SER 216 N -0.01 6.80 0.20 2.29 0.01 -0.84 0.54 113.70 122.70 3ish s SER 216 Ca -0.03 0.95 0.09 0.00 1.31 0.00 0.00 55.95 58.27 3ish s SER 216 Cb -0.14 -2.44 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 3ish s SER 216 CO 0.04 -0.57 -0.18 0.27 0.41 0.00 0.00 173.24 173.21 3ish s ILE 217 N 2.95 1.97 -0.05 1.44 -4.36 -0.17 -0.06 121.20 122.92 3ish s ILE 217 Ca 0.35 -2.11 0.01 0.00 -0.26 0.00 0.00 60.65 58.64 3ish s ILE 217 Cb -0.15 -2.02 0.02 0.00 1.25 0.00 0.00 42.46 41.57 3ish s ILE 217 CO 0.09 -0.40 -0.06 -0.75 0.24 0.00 0.00 174.94 174.07 3ish s LYS 218 N -3.17 1.03 -0.14 0.37 2.20 -0.73 -1.37 119.74 117.93 3ish s LYS 218 Ca 0.21 -0.16 -0.29 0.00 -0.36 0.00 0.00 55.97 55.36 3ish s LYS 218 Cb -0.04 -1.01 -0.03 0.00 -1.51 0.00 0.00 37.83 35.24 3ish s LYS 218 CO 0.09 -0.09 1.46 1.21 -0.36 0.00 0.00 175.35 177.66 3ish s ASN 219 N 0.99 6.75 0.00 1.43 3.84 -0.39 -1.71 114.94 125.85 3ish s ASN 219 Ca -0.10 1.87 0.29 0.00 0.21 0.00 0.00 52.86 55.13 3ish s ASN 219 Cb -0.14 -2.54 1.32 0.00 -0.55 0.00 0.00 41.25 39.34 3ish s ASN 219 CO -0.00 -0.91 1.94 0.35 -2.79 0.00 0.00 177.10 175.69 3ish n THR 220 N 5.60 0.00 0.04 -5.21 -2.24 0.39 -0.42 114.28 112.45 3ish n THR 220 Ca 0.16 -0.01 -0.03 0.00 -2.27 0.00 0.00 64.05 61.90 3ish n THR 220 Cb 0.44 -0.36 -0.01 0.00 -2.10 0.00 0.00 70.33 68.30 3ish n THR 220 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ish h ALA 221 N 3.34 -0.22 -0.01 6.98 0.00 -1.91 -3.38 119.26 124.05 3ish h ALA 221 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3ish h ALA 221 Cb 0.37 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3ish h ALA 221 CO 0.00 -0.21 -0.18 2.41 0.00 0.00 0.00 179.25 181.27 3ish n THR 222 N -4.33 0.00 -3.32 0.00 -1.04 -1.23 -4.97 114.28 99.40 3ish n THR 222 Ca -0.02 -0.19 -0.12 0.00 -2.04 0.00 0.00 64.05 61.68 3ish n THR 222 Cb 0.07 0.54 -0.02 0.00 -1.82 0.00 0.00 70.33 69.11 3ish n THR 222 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3ish n ASN 223 N -0.26 -0.18 -4.75 8.00 6.94 0.45 -5.00 115.26 120.46 3ish n ASN 223 Ca 0.14 -0.41 -0.38 0.00 -0.02 0.00 0.00 54.58 53.91 3ish n ASN 223 Cb 0.37 -0.51 -0.06 0.00 -2.36 0.00 0.00 39.78 37.22 3ish n ASN 223 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3ish s GLU 224 N -4.83 4.26 0.61 -3.83 0.41 -1.24 -4.86 118.70 109.21 3ish s GLU 224 Ca 0.05 0.47 -0.05 0.00 -0.41 0.00 0.00 54.97 55.03 3ish s GLU 224 Cb -0.03 -3.38 0.03 0.00 -1.78 0.00 0.00 34.13 28.97 3ish s GLU 224 CO 0.32 0.29 0.90 0.15 -0.49 0.00 0.00 175.26 176.43 3ish s LYS 225 N 0.19 2.66 -0.26 1.61 1.02 -1.26 -1.26 119.74 122.44 3ish s LYS 225 Ca 0.26 -0.22 -0.26 0.00 0.02 0.00 0.00 55.97 55.77 3ish s LYS 225 Cb -0.16 -2.29 0.11 0.00 -0.52 0.00 0.00 37.83 34.97 3ish s LYS 225 CO 0.12 -0.84 0.94 0.50 -0.92 0.00 0.00 175.35 175.15 3ish s ARG 226 N -5.01 0.62 -0.34 1.68 3.52 -0.47 -4.96 118.95 113.99 3ish s ARG 226 Ca 0.56 0.64 -0.08 0.00 -0.13 0.00 0.00 55.73 56.71 3ish s ARG 226 Cb -0.11 0.30 0.03 0.00 -1.56 0.00 0.00 34.95 33.61 3ish s ARG 226 CO 0.44 -0.09 0.13 -2.00 -0.81 0.00 0.00 175.30 172.96 3ish s GLU 227 N 0.07 2.83 -0.35 5.12 2.12 -1.26 -1.00 118.70 126.24 3ish s GLU 227 Ca 0.01 -1.05 -0.13 0.00 0.36 0.00 0.00 54.97 54.16 3ish s GLU 227 Cb -0.04 -3.53 -0.01 0.00 0.26 0.00 0.00 34.13 30.80 3ish s GLU 227 CO -0.03 -0.61 0.27 -1.17 -0.54 0.00 0.00 175.26 173.17 3ish s LEU 228 N 1.48 4.56 -0.33 2.70 2.96 0.19 -4.89 118.68 125.35 3ish s LEU 228 Ca 0.01 -0.44 -0.24 0.00 -0.22 0.00 0.00 54.13 53.24 3ish s LEU 228 Cb -0.19 -2.17 0.01 0.00 0.50 0.00 0.00 46.19 44.34 3ish s LEU 228 CO 0.04 -0.27 0.81 -0.69 -1.32 0.00 0.00 176.35 174.92 3ish s VAL 229 N 1.77 4.75 -0.27 1.68 1.01 -1.26 0.14 120.40 128.21 3ish s VAL 229 Ca 0.07 1.10 -0.23 0.00 0.00 0.00 0.00 61.98 62.92 3ish s VAL 229 Cb -0.17 -4.19 0.08 0.00 0.00 0.00 0.00 36.38 32.09 3ish s VAL 229 CO 0.11 -0.34 0.75 0.68 0.00 0.00 0.00 175.10 176.29 3ish s VAL 230 N 3.07 0.00 -0.65 2.92 -7.23 -0.48 -4.93 120.40 113.10 3ish s VAL 230 Ca 0.33 0.00 0.25 0.00 -1.81 0.00 0.00 61.98 60.75 3ish s VAL 230 Cb -0.14 -1.00 0.27 0.00 0.56 0.00 0.00 36.38 36.08 3ish s VAL 230 CO 0.15 0.00 1.76 -0.81 -0.31 0.00 0.00 175.10 175.88 3ish n PRO 231 N 3.05 0.23 -4.20 4.82 -0.04 -1.26 -3.48 135.00 134.12 3ish n PRO 231 Ca -0.15 0.28 -0.19 0.00 -0.04 0.00 0.00 63.50 63.40 3ish n PRO 231 Cb 0.56 -1.82 -0.16 0.00 -0.04 0.00 0.00 33.50 32.04 3ish n PRO 231 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3ish s GLY 232 N -3.55 0.42 -0.04 0.55 0.00 -1.26 -4.34 107.32 99.10 3ish s GLY 232 Ca 0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 44.72 44.66 3ish s GLY 232 CO 0.52 0.22 0.07 -0.12 0.00 0.00 0.00 173.10 173.79 3ish s PHE 233 N 0.57 0.02 -0.19 1.90 5.36 0.14 -1.48 117.98 124.31 3ish s PHE 233 Ca -0.08 0.29 -0.03 0.00 -0.96 0.00 0.00 56.93 56.15 3ish s PHE 233 Cb -0.11 -0.41 -0.02 0.00 -0.34 0.00 0.00 43.02 42.14 3ish s PHE 233 CO 0.00 -0.19 -0.05 -0.06 -1.46 0.00 0.00 175.22 173.47 3ish s PHE 234 N 2.01 2.96 -0.17 10.12 0.40 0.40 -0.34 117.98 133.36 3ish s PHE 234 Ca 0.03 -0.66 -0.04 0.00 -0.60 0.00 0.00 56.93 55.66 3ish s PHE 234 Cb -0.12 -2.02 -0.03 0.00 0.51 0.00 0.00 43.02 41.36 3ish s PHE 234 CO -0.03 -0.32 -0.02 0.96 0.70 0.00 0.00 175.22 176.50 3ish s ILE 235 N 0.95 3.91 -0.49 0.64 -4.36 0.73 -1.21 121.20 121.38 3ish s ILE 235 Ca -0.00 -0.34 0.04 0.00 -0.26 0.00 0.00 60.65 60.08 3ish s ILE 235 Cb -0.15 -2.73 0.17 0.00 1.25 0.00 0.00 42.46 41.00 3ish s ILE 235 CO 0.01 0.47 0.37 -0.36 0.24 0.00 0.00 174.94 175.67 3ish s PHE 236 N 0.57 1.78 -0.15 1.37 0.08 0.11 -4.56 117.98 117.17 3ish s PHE 236 Ca -0.02 -2.57 0.09 0.00 0.12 0.00 0.00 56.93 54.55 3ish s PHE 236 Cb -0.14 -1.45 0.18 0.00 -0.57 0.00 0.00 43.02 41.04 3ish s PHE 236 CO 0.02 -0.75 1.11 1.55 -0.10 0.00 0.00 175.22 177.06 3ish n VAL 237 N 2.72 1.43 0.00 -0.44 3.14 -1.26 -3.99 118.33 119.92 3ish n VAL 237 Ca 0.25 -1.53 0.00 0.00 -2.96 0.00 0.00 64.34 60.10 3ish n VAL 237 Cb 0.43 0.17 0.00 0.00 -1.06 0.00 0.00 33.84 33.38 3ish n VAL 237 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3ish n GLY 238 N -0.75 3.24 2.95 7.55 0.00 -1.26 -4.75 105.19 112.16 3ish n GLY 238 Ca 0.09 -1.96 -0.19 0.00 0.00 0.00 0.00 46.02 43.95 3ish n GLY 238 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ish s TYR 239 N -2.75 0.76 -0.31 1.61 5.04 -1.26 -1.09 117.35 119.35 3ish s TYR 239 Ca 0.00 -0.19 -0.08 0.00 -2.44 0.00 0.00 57.07 54.36 3ish s TYR 239 Cb 0.00 -0.58 0.01 0.00 0.35 0.00 0.00 41.96 41.73 3ish s TYR 239 CO 0.00 -0.11 0.12 -0.51 -1.34 0.00 0.00 175.55 173.71 3ish s ASP 240 N 0.40 5.34 0.10 4.32 1.01 0.66 -4.91 116.67 123.59 3ish s ASP 240 Ca -0.05 -0.67 -0.31 0.00 0.71 0.00 0.00 52.55 52.23 3ish s ASP 240 Cb -0.09 -1.94 -0.07 0.00 1.01 0.00 0.00 42.92 41.83 3ish s ASP 240 CO 0.00 -0.21 1.26 -0.69 0.21 0.00 0.00 175.17 175.74 3ish s VAL 241 N 1.54 3.72 -1.25 -1.27 1.01 -1.26 -0.04 120.40 122.85 3ish s VAL 241 Ca 0.03 1.27 -0.17 0.00 0.00 0.00 0.00 61.98 63.12 3ish s VAL 241 Cb -0.17 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 3ish s VAL 241 CO 0.04 0.12 2.12 0.59 0.00 0.00 0.00 175.10 177.97 3ish n ASN 242 N 3.66 3.49 0.25 3.32 3.02 -0.52 -4.71 115.26 123.77 3ish n ASN 242 Ca 0.09 -2.79 0.13 0.00 -0.03 0.00 0.00 54.58 51.97 3ish n ASN 242 Cb 0.45 -1.50 0.63 0.00 -0.61 0.00 0.00 39.78 38.75 3ish n ASN 242 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 3ish h ASN 243 N 6.65 0.00 -0.65 6.41 4.21 -1.88 -3.42 115.58 126.90 3ish h ASN 243 Ca 0.52 0.00 0.12 0.00 1.21 0.00 0.00 56.30 58.15 3ish h ASN 243 Cb 0.66 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.82 3ish h ASN 243 CO 1.89 0.14 0.44 0.00 -1.29 0.00 0.00 177.43 178.61 3ish h ALA 244 N 1.86 2.08 0.00 -0.83 0.00 -1.94 -0.84 119.26 119.59 3ish h ALA 244 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ish h ALA 244 Cb 0.52 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3ish h ALA 244 CO 0.02 -0.24 0.00 -0.24 0.00 0.00 0.00 179.25 178.79 3ish h VAL 245 N 0.39 0.00 0.00 0.00 3.04 -1.81 -1.85 116.25 116.02 3ish h VAL 245 Ca 0.31 -0.29 -0.01 0.00 -1.01 0.00 0.00 66.70 65.70 3ish h VAL 245 Cb 0.68 1.28 -0.00 0.00 -2.01 0.00 0.00 31.29 31.24 3ish h VAL 245 CO -0.09 0.00 -0.05 -0.07 -1.01 0.00 0.00 177.57 176.36 3ish h LEU 246 N 0.00 0.00 -9.20 3.16 3.38 -1.44 -0.78 115.31 110.43 3ish h LEU 246 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 3ish h LEU 246 Cb 0.29 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 3ish h LEU 246 CO 0.00 0.05 0.83 -0.75 0.09 0.00 0.00 178.44 178.65 3ish s LYS 247 N -3.42 4.28 0.87 1.13 2.20 -0.70 -1.51 119.74 122.59 3ish s LYS 247 Ca 0.04 1.65 -0.10 0.00 -0.36 0.00 0.00 55.97 57.20 3ish s LYS 247 Cb 0.07 -3.69 0.18 0.00 -1.51 0.00 0.00 37.83 32.88 3ish s LYS 247 CO 0.62 -0.61 1.19 -0.65 -0.36 0.00 0.00 175.35 175.54 3ish s GLN 248 N 3.04 1.01 0.14 4.03 -1.52 0.11 -4.89 119.66 121.59 3ish s GLN 248 Ca 0.54 -0.75 -0.14 0.00 -1.95 0.00 0.00 55.36 53.07 3ish s GLN 248 Cb -0.22 -2.05 0.02 0.00 -0.22 0.00 0.00 33.01 30.54 3ish s GLN 248 CO 0.17 -2.05 1.66 0.93 -0.25 0.00 0.00 175.29 175.74 3ish h GLU 249 N -1.20 0.74 -0.05 2.91 5.08 -1.96 -2.39 114.58 117.71 3ish h GLU 249 Ca -0.41 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 57.79 3ish h GLU 249 Cb 1.24 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.39 3ish h GLU 249 CO 0.37 0.72 0.00 -0.40 -1.00 0.00 0.00 179.01 178.70 3ish n ASP 250 N -4.51 0.05 0.00 1.42 5.68 -1.26 -4.85 116.55 113.08 3ish n ASP 250 Ca 0.01 -1.19 0.00 0.00 -0.50 0.00 0.00 54.79 53.11 3ish n ASP 250 Cb 0.20 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 3ish n ASP 250 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3ish n ASN 251 N -0.44 -0.82 -4.72 -1.12 3.02 -0.90 -5.04 115.26 105.24 3ish n ASN 251 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.25 3ish n ASN 251 Cb 0.01 -0.96 0.13 0.00 -0.61 0.00 0.00 39.78 38.35 3ish n ASN 251 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3ish s SER 252 N -2.53 3.71 -0.00 6.41 1.04 -1.26 -4.64 113.70 116.43 3ish s SER 252 Ca 0.00 1.75 -0.13 0.00 0.48 0.00 0.00 55.95 58.05 3ish s SER 252 Cb 0.00 -2.40 -0.05 0.00 0.10 0.00 0.00 66.02 63.67 3ish s SER 252 CO 0.00 -2.53 0.37 -0.04 0.98 0.00 0.00 173.24 172.02 3ish s MET 253 N -4.85 3.83 0.21 4.02 -1.94 -1.26 -0.71 119.30 118.59 3ish s MET 253 Ca 0.63 0.30 -0.09 0.00 -1.71 0.00 0.00 55.69 54.82 3ish s MET 253 Cb -0.19 -3.18 0.26 0.00 2.01 0.00 0.00 34.83 33.73 3ish s MET 253 CO 0.57 0.68 1.77 1.25 -0.01 0.00 0.00 175.02 179.29 3ish h LEU 254 N 4.57 0.38 -8.37 -0.03 6.46 -1.61 -3.45 115.31 113.26 3ish h LEU 254 Ca -0.52 0.05 -0.17 0.00 -0.12 0.00 0.00 57.88 57.13 3ish h LEU 254 Cb 1.22 -0.01 -0.15 0.00 -0.73 0.00 0.00 40.66 40.99 3ish h LEU 254 CO 0.62 0.24 -0.66 0.00 -0.62 0.00 0.00 178.44 178.01 3ish n LYS 256 N -0.02 1.96 -4.38 0.00 4.81 -1.26 -4.97 118.16 114.30 3ish n LYS 256 Ca -0.09 0.71 -0.20 0.00 -0.87 0.00 0.00 58.31 57.86 3ish n LYS 256 Cb 0.62 -2.46 -0.10 0.00 0.02 0.00 0.00 35.03 33.11 3ish n LYS 256 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ish n ASP 258 N -0.39 0.31 0.00 0.00 5.75 -0.26 -4.84 116.55 117.12 3ish n ASP 258 Ca -0.08 -1.53 0.14 0.00 -0.01 0.00 0.00 54.79 53.31 3ish n ASP 258 Cb 0.60 -0.81 0.75 0.00 -1.03 0.00 0.00 41.12 40.63 3ish n ASP 258 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 3ish n GLU 259 N -3.26 0.57 -0.12 0.11 0.28 -1.26 -1.65 120.64 115.31 3ish n GLU 259 Ca 0.14 0.02 0.07 0.00 -0.16 0.00 0.00 57.16 57.23 3ish n GLU 259 Cb 0.50 -1.50 0.13 0.00 1.43 0.00 0.00 31.44 32.00 3ish n GLU 259 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3ish n TYR 260 N -1.18 0.32 -0.45 -1.84 4.01 -1.26 -4.98 117.16 111.77 3ish n TYR 260 Ca 0.16 -0.26 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 3ish n TYR 260 Cb 0.17 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 3ish n TYR 260 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ish n GLY 261 N 0.83 0.75 3.80 2.72 0.00 -0.66 -4.86 105.19 107.77 3ish n GLY 261 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 3ish n GLY 261 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ish s SER 262 N -2.59 6.78 0.08 1.61 0.01 -1.26 -4.78 113.70 113.55 3ish s SER 262 Ca 0.00 1.84 -0.30 0.00 1.31 0.00 0.00 55.95 58.80 3ish s SER 262 Cb 0.00 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.62 3ish s SER 262 CO 0.00 -0.47 1.04 -0.63 0.41 0.00 0.00 173.24 173.58 3ish s ILE 263 N -1.96 4.41 0.02 1.44 1.01 -0.26 -1.10 121.20 124.76 3ish s ILE 263 Ca 0.61 1.87 -0.30 0.00 0.00 0.00 0.00 60.65 62.83 3ish s ILE 263 Cb -0.15 -4.20 -0.06 0.00 0.01 0.00 0.00 42.46 38.07 3ish s ILE 263 CO 0.19 0.22 1.34 -0.69 0.00 0.00 0.00 174.94 176.00 3ish s VAL 264 N 0.46 3.77 0.08 2.92 1.01 -0.80 -1.27 120.40 126.57 3ish s VAL 264 Ca 0.51 1.19 0.01 0.00 0.00 0.00 0.00 61.98 63.70 3ish s VAL 264 Cb -0.25 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 3ish s VAL 264 CO 0.30 0.03 -0.06 0.68 0.00 0.00 0.00 175.10 176.05 3ish s VAL 265 N 1.95 0.61 0.00 2.92 -7.23 -1.26 -4.22 120.40 113.17 3ish s VAL 265 Ca 0.62 -1.80 0.00 0.00 -1.81 0.00 0.00 61.98 58.99 3ish s VAL 265 Cb -0.31 -1.51 0.00 0.00 0.56 0.00 0.00 36.38 35.12 3ish s VAL 265 CO 0.27 -0.82 0.00 -0.90 -0.31 0.00 0.00 175.10 173.34 3ish n ASP 266 N 0.18 0.00 0.06 4.85 5.68 -0.92 -4.91 116.55 121.48 3ish n ASP 266 Ca -0.14 -0.96 0.07 0.00 -0.50 0.00 0.00 54.79 53.26 3ish n ASP 266 Cb 0.60 0.00 0.33 0.00 -1.14 0.00 0.00 41.12 40.91 3ish n ASP 266 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3ish n PHE 267 N -1.23 0.31 -0.53 2.11 3.01 -1.26 -1.34 117.46 118.53 3ish n PHE 267 Ca 0.00 0.13 0.09 0.00 1.01 0.00 0.00 57.45 58.69 3ish n PHE 267 Cb 0.00 -0.72 0.32 0.00 -0.01 0.00 0.00 39.48 39.07 3ish n PHE 267 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3ish n SER 268 N -1.79 4.26 -1.06 4.37 3.41 -1.26 -4.96 113.62 116.59 3ish n SER 268 Ca 0.02 -2.32 -0.14 0.00 -0.26 0.00 0.00 58.87 56.17 3ish n SER 268 Cb 0.14 -0.51 -0.06 0.00 -0.26 0.00 0.00 64.21 63.52 3ish n SER 268 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3ish n MET 269 N 1.06 -0.96 -2.84 4.33 2.81 -0.45 -4.40 117.12 116.66 3ish n MET 269 Ca 0.23 0.98 -0.40 0.00 -1.81 0.00 0.00 57.70 56.70 3ish n MET 269 Cb 0.76 -5.06 -0.05 0.00 -0.71 0.00 0.00 33.22 28.16 3ish n MET 269 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3ish s LYS 270 N -3.19 4.68 0.86 0.03 1.02 -1.26 -2.39 119.74 119.48 3ish s LYS 270 Ca 0.00 1.32 -0.09 0.00 0.02 0.00 0.00 55.97 57.22 3ish s LYS 270 Cb 0.00 -3.31 0.19 0.00 -0.52 0.00 0.00 37.83 34.18 3ish s LYS 270 CO 0.00 0.41 1.18 0.25 -0.92 0.00 0.00 175.35 176.27 3ish n THR 271 N 2.08 0.00 0.92 2.17 -2.24 -1.10 -2.17 114.28 113.93 3ish n THR 271 Ca -0.02 -1.28 0.10 0.00 -2.27 0.00 0.00 64.05 60.58 3ish n THR 271 Cb 0.49 -1.20 0.50 0.00 -2.10 0.00 0.00 70.33 68.01 3ish n THR 271 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3ish n ASN 272 N -3.39 0.00 -4.74 3.42 6.94 -1.26 -4.74 115.26 111.49 3ish n ASN 272 Ca 0.17 0.09 -0.35 0.00 -0.02 0.00 0.00 54.58 54.46 3ish n ASN 272 Cb 0.59 -0.33 -0.08 0.00 -2.36 0.00 0.00 39.78 37.60 3ish n ASN 272 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3ish s VAL 273 N -2.65 5.08 0.06 3.53 1.01 -1.26 -5.03 120.40 121.13 3ish s VAL 273 Ca 0.18 0.06 -0.31 0.00 0.00 0.00 0.00 61.98 61.91 3ish s VAL 273 Cb 0.14 -3.25 -0.07 0.00 0.00 0.00 0.00 36.38 33.20 3ish s VAL 273 CO 0.32 0.53 1.41 -1.10 0.00 0.00 0.00 175.10 176.26 3ish s GLN 274 N -0.25 4.30 0.00 2.72 -0.21 -1.26 -2.55 119.66 122.40 3ish s GLN 274 Ca 0.09 2.03 0.00 0.00 0.02 0.00 0.00 55.36 57.51 3ish s GLN 274 Cb -0.12 -3.42 0.00 0.00 1.00 0.00 0.00 33.01 30.47 3ish s GLN 274 CO 0.01 -0.51 0.00 0.41 -2.12 0.00 0.00 175.29 173.08 3ish n GLY 275 N 3.59 0.95 3.58 3.09 0.00 -1.26 -5.00 105.19 110.14 3ish n GLY 275 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 3ish n GLY 275 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ish s LEU 276 N 0.00 3.66 0.22 0.99 2.96 -1.06 -1.49 118.68 123.96 3ish s LEU 276 Ca 0.00 0.00 0.05 0.00 -0.22 0.00 0.00 54.13 53.97 3ish s LEU 276 Cb 0.00 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.71 3ish s LEU 276 CO 0.00 0.15 -0.07 -0.36 -1.32 0.00 0.00 176.35 174.74 3ish s PHE 277 N 0.54 1.61 0.04 5.38 0.08 -0.20 -2.72 117.98 122.71 3ish s PHE 277 Ca 0.02 -0.75 -0.02 0.00 0.12 0.00 0.00 56.93 56.29 3ish s PHE 277 Cb -0.13 -0.87 -0.03 0.00 -0.57 0.00 0.00 43.02 41.43 3ish s PHE 277 CO 0.01 0.15 0.01 0.00 -0.10 0.00 0.00 175.22 175.29 3ish s ALA 278 N -3.20 0.25 -0.27 5.36 0.00 -1.01 -0.79 121.76 122.09 3ish s ALA 278 Ca 0.25 -0.88 -0.24 0.00 0.00 0.00 0.00 51.96 51.09 3ish s ALA 278 Cb 0.03 0.25 0.08 0.00 0.00 0.00 0.00 23.12 23.48 3ish s ALA 278 CO 0.07 -0.31 0.78 0.00 0.00 0.00 0.00 175.76 176.30 3ish s ALA 279 N -3.01 -1.84 0.00 0.00 0.00 -0.69 -4.77 121.76 111.45 3ish s ALA 279 Ca -0.02 2.06 0.00 0.00 0.00 0.00 0.00 51.96 54.00 3ish s ALA 279 Cb 0.01 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.86 3ish s ALA 279 CO -0.07 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.78 3ish n GLY 280 N 2.83 -1.55 0.09 0.00 0.00 -1.26 -4.27 105.19 101.03 3ish n GLY 280 Ca -0.15 -1.97 0.07 0.00 0.00 0.00 0.00 46.02 43.97 3ish n GLY 280 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ish n ASP 281 N 0.00 0.32 0.19 1.61 9.92 -1.26 -2.20 116.55 125.13 3ish n ASP 281 Ca 0.00 0.63 0.07 0.00 -0.53 0.00 0.00 54.79 54.96 3ish n ASP 281 Cb 0.00 -0.68 0.25 0.00 -0.64 0.00 0.00 41.12 40.05 3ish n ASP 281 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 3ish h ILE 282 N 0.00 0.67 -2.84 0.53 6.09 -1.77 -3.44 117.51 116.75 3ish h ILE 282 Ca 0.00 -1.59 -0.50 0.00 -1.37 0.00 0.00 64.86 61.40 3ish h ILE 282 Cb 0.07 2.06 -0.00 0.00 0.47 0.00 0.00 36.82 39.42 3ish h ILE 282 CO 0.00 0.33 -0.24 0.00 -3.07 0.00 0.00 178.15 175.16 3ish s ARG 283 N -3.34 3.52 0.28 2.19 1.04 -0.93 -1.10 118.95 120.60 3ish s ARG 283 Ca 0.02 -0.31 -0.30 0.00 -1.04 0.00 0.00 55.73 54.11 3ish s ARG 283 Cb 0.09 -2.73 -0.13 0.00 -2.04 0.00 0.00 34.95 30.14 3ish s ARG 283 CO 0.69 0.26 1.35 0.44 -0.04 0.00 0.00 175.30 178.00 3ish n ILE 284 N -1.25 1.34 -1.18 4.99 -5.35 -0.39 -2.62 119.36 114.90 3ish n ILE 284 Ca -0.05 -0.33 -0.06 0.00 -0.27 0.00 0.00 62.75 62.04 3ish n ILE 284 Cb 0.55 -1.49 -0.03 0.00 -1.74 0.00 0.00 39.64 36.93 3ish n ILE 284 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3ish n PHE 285 N 1.32 0.00 -1.66 4.28 3.72 -1.26 -4.94 117.46 118.92 3ish n PHE 285 Ca 0.09 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.05 3ish n PHE 285 Cb 0.33 -1.57 -0.04 0.00 -0.94 0.00 0.00 39.48 37.27 3ish n PHE 285 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ish n ALA 286 N 1.12 1.41 0.39 4.37 0.00 -1.08 -4.87 120.51 121.84 3ish n ALA 286 Ca -0.06 0.20 0.12 0.00 0.00 0.00 0.00 53.44 53.71 3ish n ALA 286 Cb 0.30 -2.65 0.51 0.00 0.00 0.00 0.00 19.45 17.61 3ish n ALA 286 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3ish h PRO 287 N 10.49 0.00 -3.06 0.00 0.11 -1.92 -3.47 132.00 134.15 3ish h PRO 287 Ca -0.49 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 3ish h PRO 287 Cb 1.25 0.00 0.05 0.00 0.11 0.00 0.00 31.00 32.41 3ish h PRO 287 CO 0.94 0.00 -0.24 1.63 -0.21 0.00 0.00 178.00 180.12 3ish n LYS 288 N -2.30 -2.20 -4.15 1.05 5.02 -1.26 -5.08 118.16 109.25 3ish n LYS 288 Ca 0.02 0.27 -0.17 0.00 -2.02 0.00 0.00 58.31 56.41 3ish n LYS 288 Cb 0.23 -3.58 -0.12 0.00 -0.02 0.00 0.00 35.03 31.54 3ish n LYS 288 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3ish s GLN 289 N -4.61 0.75 0.18 1.97 -1.52 -1.26 -5.07 119.66 110.09 3ish s GLN 289 Ca 0.03 -0.92 -0.13 0.00 -1.95 0.00 0.00 55.36 52.39 3ish s GLN 289 Cb -0.01 -0.69 0.13 0.00 -0.22 0.00 0.00 33.01 32.22 3ish s GLN 289 CO 0.23 0.15 1.78 0.28 -0.25 0.00 0.00 175.29 177.48 3ish h VAL 290 N 4.30 0.93 -0.78 1.09 2.07 -1.97 -1.89 116.25 119.99 3ish h VAL 290 Ca -0.39 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 66.99 3ish h VAL 290 Cb 1.19 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 3ish h VAL 290 CO 0.41 0.08 0.51 -0.37 0.02 0.00 0.00 177.57 178.22 3ish h VAL 291 N 0.45 1.15 -0.16 2.57 -1.51 -1.98 0.08 116.25 116.85 3ish h VAL 291 Ca 0.22 -0.35 0.03 0.00 -1.23 0.00 0.00 66.70 65.37 3ish h VAL 291 Cb 0.15 0.06 -0.03 0.00 -2.13 0.00 0.00 31.29 29.34 3ish h VAL 291 CO -0.17 0.18 -0.01 0.00 -1.23 0.00 0.00 177.57 176.35 3ish h ALA 293 N 1.14 0.55 -0.40 0.00 0.00 -1.06 -1.46 119.26 118.04 3ish h ALA 293 Ca 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3ish h ALA 293 Cb 0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3ish h ALA 293 CO -0.13 0.13 0.20 0.00 0.00 0.00 0.00 179.25 179.44 3ish h ALA 294 N 1.04 0.52 0.11 0.00 0.00 -0.84 -0.59 119.26 119.50 3ish h ALA 294 Ca 0.15 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3ish h ALA 294 Cb 0.14 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3ish h ALA 294 CO -0.02 0.07 -0.30 1.03 0.00 0.00 0.00 179.25 180.03 3ish h SER 295 N 0.51 -0.87 -0.73 0.00 0.87 -0.50 -1.80 113.55 111.04 3ish h SER 295 Ca 0.14 0.10 0.16 0.00 -1.23 0.00 0.00 61.79 60.96 3ish h SER 295 Cb 0.10 0.33 -0.12 0.00 -0.44 0.00 0.00 62.40 62.28 3ish h SER 295 CO -0.02 -0.39 0.10 0.44 -0.53 0.00 0.00 176.83 176.43 3ish h ASP 296 N -0.51 -0.15 -0.84 6.23 3.45 -1.11 0.02 116.42 123.51 3ish h ASP 296 Ca 0.03 0.17 0.03 0.00 0.43 0.00 0.00 57.03 57.69 3ish h ASP 296 Cb 0.55 0.26 -0.05 0.00 -0.56 0.00 0.00 39.33 39.53 3ish h ASP 296 CO -0.19 -0.10 0.54 1.23 -1.57 0.00 0.00 179.24 179.15 3ish h GLY 297 N 0.19 1.20 0.82 2.75 0.00 -0.74 0.12 103.07 107.42 3ish h GLY 297 Ca 0.41 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 3ish h GLY 297 CO -0.57 0.37 0.03 0.00 0.00 0.00 0.00 176.54 176.37 3ish h ALA 298 N 1.34 0.19 -0.24 3.60 0.00 -0.46 -2.03 119.26 121.67 3ish h ALA 298 Ca 0.33 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 3ish h ALA 298 Cb -0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3ish h ALA 298 CO -0.10 -0.16 -0.35 0.00 0.00 0.00 0.00 179.25 178.64 3ish h THR 299 N 0.03 1.29 -0.76 0.00 1.03 -0.74 -1.33 112.91 112.42 3ish h THR 299 Ca 0.05 -1.46 -0.03 0.00 -0.01 0.00 0.00 66.41 64.95 3ish h THR 299 Cb 0.28 1.49 -0.04 0.00 -1.07 0.00 0.00 68.15 68.81 3ish h THR 299 CO 0.00 0.46 0.35 0.00 -0.01 0.00 0.00 175.52 176.32 3ish h ALA 300 N 1.20 1.18 -0.39 0.00 0.00 -0.73 -2.30 119.26 118.22 3ish h ALA 300 Ca 0.05 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 3ish h ALA 300 Cb 0.81 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3ish h ALA 300 CO 0.07 0.62 -0.18 0.00 0.00 0.00 0.00 179.25 179.76 3ish h ALA 301 N 1.29 0.97 -0.42 0.00 0.00 -0.96 -1.45 119.26 118.69 3ish h ALA 301 Ca 0.26 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 3ish h ALA 301 Cb 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3ish h ALA 301 CO -0.03 0.60 -0.04 -0.07 0.00 0.00 0.00 179.25 179.71 3ish h LEU 302 N 0.65 0.77 -0.81 0.00 3.38 -1.08 -1.46 115.31 116.75 3ish h LEU 302 Ca 0.10 -0.33 0.06 0.00 0.09 0.00 0.00 57.88 57.79 3ish h LEU 302 Cb 0.66 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.14 3ish h LEU 302 CO 0.05 0.92 0.50 0.28 0.09 0.00 0.00 178.44 180.27 3ish h SER 303 N 0.60 0.78 -0.71 -0.43 0.02 -1.30 -1.80 113.55 110.71 3ish h SER 303 Ca 0.11 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.10 3ish h SER 303 Cb 0.55 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.90 3ish h SER 303 CO 0.03 0.50 0.46 0.58 -1.14 0.00 0.00 176.83 177.26 3ish h VAL 304 N 0.91 1.15 0.03 2.27 2.07 -1.00 -0.57 116.25 121.11 3ish h VAL 304 Ca 0.35 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 3ish h VAL 304 Cb 0.15 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 3ish h VAL 304 CO -0.16 0.17 -0.01 0.40 0.02 0.00 0.00 177.57 177.98 3ish h ILE 305 N 0.92 1.11 -0.26 4.57 2.04 -0.86 0.16 117.51 125.20 3ish h ILE 305 Ca 0.27 -0.41 0.04 0.00 1.00 0.00 0.00 64.86 65.76 3ish h ILE 305 Cb -0.06 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 3ish h ILE 305 CO -0.08 0.10 0.04 0.28 0.00 0.00 0.00 178.15 178.50 3ish h SER 306 N -0.21 -0.00 -0.54 1.72 0.02 -1.28 -1.72 113.55 111.53 3ish h SER 306 Ca -0.00 0.04 0.11 0.00 -0.84 0.00 0.00 61.79 61.10 3ish h SER 306 Cb 0.20 0.06 -0.10 0.00 0.14 0.00 0.00 62.40 62.70 3ish h SER 306 CO 0.01 0.03 -0.06 0.22 -1.14 0.00 0.00 176.83 175.89 3ish h TYR 307 N 0.14 -0.14 -0.02 3.45 3.20 -0.75 -2.06 116.97 120.79 3ish h TYR 307 Ca 0.12 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.94 3ish h TYR 307 Cb 0.12 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 3ish h TYR 307 CO -0.16 -0.18 -0.40 -0.07 -1.64 0.00 0.00 178.16 175.71 3ish h LEU 308 N 0.06 0.05 -0.68 2.82 3.38 -0.24 -2.25 115.31 118.44 3ish h LEU 308 Ca 0.27 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 3ish h LEU 308 Cb 0.42 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 3ish h LEU 308 CO -0.50 0.44 0.29 -0.08 0.09 0.00 0.00 178.44 178.69 3ish h GLU 309 N 0.04 1.01 -0.01 1.13 4.57 -0.89 -3.18 114.58 117.25 3ish h GLU 309 Ca 0.00 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 3ish h GLU 309 Cb 0.73 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 3ish h GLU 309 CO 0.05 0.82 -0.05 0.72 -1.18 0.00 0.00 179.01 179.38 3ish n HIS 310 N -4.41 0.00 -1.30 0.92 8.25 -0.82 -5.11 115.22 112.75 3ish n HIS 310 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 3ish n HIS 310 Cb 0.16 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.22 3ish n HIS 310 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70