#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ic8 s LEU 4 N 0.00 3.66 -0.08 4.31 1.02 -1.26 -4.44 118.68 121.89 3ic8 s LEU 4 Ca 0.00 -0.33 0.05 0.00 0.02 0.00 0.00 54.13 53.87 3ic8 s LEU 4 Cb 0.00 -1.94 -0.01 0.00 0.02 0.00 0.00 46.19 44.26 3ic8 s LEU 4 CO 0.00 -0.09 -0.22 0.27 0.02 0.00 0.00 176.35 176.33 3ic8 s ILE 5 N 1.61 2.29 -0.17 -0.59 -4.36 -0.78 0.13 121.20 119.32 3ic8 s ILE 5 Ca 0.06 -0.97 -0.07 0.00 -0.26 0.00 0.00 60.65 59.41 3ic8 s ILE 5 Cb -0.16 -1.87 -0.04 0.00 1.25 0.00 0.00 42.46 41.65 3ic8 s ILE 5 CO 0.04 0.56 0.05 -0.22 0.24 0.00 0.00 174.94 175.62 3ic8 s LEU 6 N -0.04 3.79 -0.23 0.37 2.96 0.27 -0.64 118.68 125.14 3ic8 s LEU 6 Ca -0.06 0.09 -0.09 0.00 -0.22 0.00 0.00 54.13 53.84 3ic8 s LEU 6 Cb -0.15 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 3ic8 s LEU 6 CO 0.05 0.20 0.12 -1.00 -1.32 0.00 0.00 176.35 174.39 3ic8 s HIS 7 N 0.23 3.23 0.29 5.38 3.76 -0.52 -0.51 115.29 127.15 3ic8 s HIS 7 Ca 0.04 0.02 -0.10 0.00 -0.15 0.00 0.00 55.06 54.87 3ic8 s HIS 7 Cb -0.12 -2.23 0.04 0.00 1.11 0.00 0.00 32.58 31.37 3ic8 s HIS 7 CO 0.01 -0.05 0.56 -2.39 -0.85 0.00 0.00 174.74 172.01 3ic8 n HIS 8 N 4.39 -1.90 -3.76 1.40 1.44 -0.84 -2.06 115.22 113.89 3ic8 n HIS 8 Ca -0.15 -1.48 -0.37 0.00 -2.01 0.00 0.00 57.72 53.70 3ic8 n HIS 8 Cb 0.52 0.66 -0.13 0.00 0.12 0.00 0.00 29.99 31.16 3ic8 n HIS 8 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 3ic8 s TYR 9 N -3.76 3.20 0.35 -1.40 1.51 -1.26 -0.78 117.35 115.22 3ic8 s TYR 9 Ca 0.14 -1.24 0.05 0.00 -1.01 0.00 0.00 57.07 55.01 3ic8 s TYR 9 Cb -0.03 -2.26 0.65 0.00 -0.11 0.00 0.00 41.96 40.21 3ic8 s TYR 9 CO 0.10 -0.67 1.89 -1.35 -1.11 0.00 0.00 175.55 174.42 3ic8 h PRO 10 N 8.22 0.47 0.00 -1.71 0.11 -1.94 -2.04 132.00 135.11 3ic8 h PRO 10 Ca -0.27 -0.10 -0.07 0.00 0.11 0.00 0.00 66.00 65.67 3ic8 h PRO 10 Cb 1.10 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3ic8 h PRO 10 CO 0.60 0.51 -0.35 1.79 -0.21 0.00 0.00 178.00 180.34 3ic8 h THR 11 N 0.45 0.98 -2.94 -1.15 1.35 -1.99 -3.46 112.91 106.14 3ic8 h THR 11 Ca 0.10 -1.34 -0.53 0.00 -0.55 0.00 0.00 66.41 64.09 3ic8 h THR 11 Cb 0.32 1.79 0.04 0.00 -1.73 0.00 0.00 68.15 68.57 3ic8 h THR 11 CO 0.01 0.35 0.83 -0.55 -0.25 0.00 0.00 175.52 175.91 3ic8 s SER 12 N -6.56 6.64 0.42 5.36 0.15 -0.77 -4.89 113.70 114.06 3ic8 s SER 12 Ca -0.01 2.56 0.13 0.00 0.70 0.00 0.00 55.95 59.33 3ic8 s SER 12 Cb 0.12 -2.60 0.89 0.00 -1.71 0.00 0.00 66.02 62.72 3ic8 s SER 12 CO 0.69 -0.77 1.93 -0.07 1.20 0.00 0.00 173.24 176.22 3ic8 h LEU 13 N 6.55 0.04 -1.81 3.45 3.38 -1.89 -2.95 115.31 122.07 3ic8 h LEU 13 Ca -0.43 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.51 3ic8 h LEU 13 Cb 1.21 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 3ic8 h LEU 13 CO 0.88 0.27 -0.13 -0.26 0.09 0.00 0.00 178.44 179.29 3ic8 h PHE 14 N 0.04 0.00 -0.14 1.13 0.04 -1.93 -2.93 116.94 113.14 3ic8 h PHE 14 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3ic8 h PHE 14 Cb 0.43 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.58 3ic8 h PHE 14 CO 0.00 0.13 0.00 0.00 -0.60 0.00 0.00 178.31 177.84 3ic8 n ALA 15 N -2.26 2.52 -0.06 2.45 0.00 -1.11 -4.17 120.51 117.88 3ic8 n ALA 15 Ca -0.01 -0.56 -0.01 0.00 0.00 0.00 0.00 53.44 52.85 3ic8 n ALA 15 Cb 0.26 -1.07 0.27 0.00 0.00 0.00 0.00 19.45 18.91 3ic8 n ALA 15 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3ic8 h GLU 16 N 2.68 0.66 -0.35 0.00 4.57 -1.66 -2.54 114.58 117.93 3ic8 h GLU 16 Ca 0.00 -0.12 -0.04 0.00 -1.18 0.00 0.00 59.36 58.01 3ic8 h GLU 16 Cb 0.58 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 3ic8 h GLU 16 CO 0.00 0.61 0.05 -0.22 -1.18 0.00 0.00 179.01 178.27 3ic8 h LYS 17 N 0.64 0.59 -0.55 1.92 3.64 -1.83 0.65 116.57 121.63 3ic8 h LYS 17 Ca 0.14 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 3ic8 h LYS 17 Cb 0.26 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 3ic8 h LYS 17 CO -0.00 0.67 0.20 0.00 -2.27 0.00 0.00 179.45 178.04 3ic8 h ALA 18 N 0.89 1.32 -0.25 5.00 0.00 -1.83 -2.81 119.26 121.59 3ic8 h ALA 18 Ca 0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3ic8 h ALA 18 Cb 0.37 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3ic8 h ALA 18 CO 0.01 0.50 0.06 0.00 0.00 0.00 0.00 179.25 179.82 3ic8 h ARG 19 N 0.79 0.40 -2.15 0.00 3.08 -0.96 -3.17 114.38 112.36 3ic8 h ARG 19 Ca 0.19 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 3ic8 h ARG 19 Cb 0.19 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 3ic8 h ARG 19 CO -0.01 0.50 0.06 1.28 -1.07 0.00 0.00 179.97 180.73 3ic8 n LEU 20 N -4.72 0.88 0.00 3.04 4.77 0.16 -3.28 117.00 117.85 3ic8 n LEU 20 Ca -0.03 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 3ic8 n LEU 20 Cb 0.18 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3ic8 n LEU 20 CO 0.36 0.11 0.00 0.18 -1.33 0.00 0.00 177.39 176.72 3ic8 n LEU 22 N 2.10 0.00 -0.26 2.23 4.77 -1.20 -2.38 117.00 122.25 3ic8 n LEU 22 Ca 0.01 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.94 3ic8 n LEU 22 Cb 0.09 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.24 3ic8 n LEU 22 CO 0.04 0.00 1.09 1.23 -1.33 0.00 0.00 177.39 178.43 3ic8 h GLY 23 N 0.00 1.10 1.02 -0.72 0.00 -1.66 0.58 103.07 103.40 3ic8 h GLY 23 Ca 0.00 -0.52 -0.05 0.00 0.00 0.00 0.00 47.33 46.77 3ic8 h GLY 23 CO 0.00 0.49 0.25 -2.75 0.00 0.00 0.00 176.54 174.53 3ic8 h PHE 24 N 1.01 1.07 0.00 5.60 3.57 -1.63 0.40 116.94 126.95 3ic8 h PHE 24 Ca 0.25 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.66 3ic8 h PHE 24 Cb 0.07 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.49 3ic8 h PHE 24 CO 0.00 0.84 0.00 1.63 -2.23 0.00 0.00 178.31 178.55 3ic8 n LYS 25 N -4.36 0.20 -1.08 1.11 4.76 -1.08 -4.68 118.16 113.03 3ic8 n LYS 25 Ca 0.05 0.30 -0.03 0.00 -2.87 0.00 0.00 58.31 55.76 3ic8 n LYS 25 Cb 0.19 -1.80 -0.01 0.00 -1.84 0.00 0.00 35.03 31.57 3ic8 n LYS 25 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ic8 n GLY 26 N 0.62 0.55 3.81 0.72 0.00 0.20 -4.88 105.19 106.21 3ic8 n GLY 26 Ca 0.04 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 3ic8 n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ic8 s VAL 27 N -1.86 1.94 -0.15 1.61 0.11 -1.02 -4.74 120.40 116.28 3ic8 s VAL 27 Ca 0.00 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.02 3ic8 s VAL 27 Cb 0.00 -2.80 -0.02 0.00 -1.53 0.00 0.00 36.38 32.02 3ic8 s VAL 27 CO 0.00 0.00 -0.06 0.20 -3.33 0.00 0.00 175.10 171.91 3ic8 s ASN 28 N -4.28 4.57 0.11 3.54 0.01 -1.26 -3.03 114.94 114.60 3ic8 s ASN 28 Ca 0.67 -0.20 0.01 0.00 -0.71 0.00 0.00 52.86 52.63 3ic8 s ASN 28 Cb -0.11 -1.74 -0.04 0.00 0.41 0.00 0.00 41.25 39.77 3ic8 s ASN 28 CO 0.53 0.16 -0.03 -1.66 -1.51 0.00 0.00 177.10 174.59 3ic8 s TRP 29 N 0.44 0.91 -0.11 2.20 1.48 -0.26 -4.41 118.94 119.19 3ic8 s TRP 29 Ca -0.05 -1.01 0.01 0.00 -1.06 0.00 0.00 56.10 53.99 3ic8 s TRP 29 Cb -0.15 -0.54 -0.02 0.00 -1.16 0.00 0.00 33.47 31.61 3ic8 s TRP 29 CO 0.03 -0.25 -0.14 1.03 -4.06 0.00 0.00 176.95 173.56 3ic8 s ARG 30 N -3.90 3.13 -0.25 3.25 1.81 0.34 -1.84 118.95 121.48 3ic8 s ARG 30 Ca 0.16 -0.70 -0.07 0.00 -1.72 0.00 0.00 55.73 53.40 3ic8 s ARG 30 Cb 0.06 -2.55 -0.03 0.00 -0.45 0.00 0.00 34.95 31.99 3ic8 s ARG 30 CO -0.02 0.33 0.07 0.45 -0.68 0.00 0.00 175.30 175.45 3ic8 s SER 31 N 0.05 5.14 -0.29 0.23 0.15 -0.23 -0.57 113.70 118.18 3ic8 s SER 31 Ca -0.05 -0.24 -0.08 0.00 0.70 0.00 0.00 55.95 56.28 3ic8 s SER 31 Cb -0.15 -1.92 -0.00 0.00 -1.71 0.00 0.00 66.02 62.24 3ic8 s SER 31 CO 0.04 -0.05 0.11 -0.69 1.20 0.00 0.00 173.24 173.85 3ic8 s VAL 32 N 1.61 4.27 0.27 4.45 1.01 0.33 -1.43 120.40 130.92 3ic8 s VAL 32 Ca 0.06 -0.51 -0.29 0.00 0.00 0.00 0.00 61.98 61.24 3ic8 s VAL 32 Cb -0.15 -3.16 -0.09 0.00 0.00 0.00 0.00 36.38 32.97 3ic8 s VAL 32 CO 0.04 0.11 1.19 -0.89 0.00 0.00 0.00 175.10 175.55 3ic8 s THR 33 N 1.56 3.25 -0.12 3.92 2.01 -1.26 -1.98 115.64 123.02 3ic8 s THR 33 Ca 0.04 1.20 -0.13 0.00 0.31 0.00 0.00 61.69 63.11 3ic8 s THR 33 Cb -0.17 -3.76 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 3ic8 s THR 33 CO 0.04 0.26 0.29 -0.63 -0.69 0.00 0.00 174.62 173.89 3ic8 s ILE 34 N -0.86 5.28 0.29 1.82 1.01 0.04 -4.86 121.20 123.94 3ic8 s ILE 34 Ca 0.48 0.55 -0.29 0.00 0.00 0.00 0.00 60.65 61.39 3ic8 s ILE 34 Cb -0.35 -3.61 -0.10 0.00 0.01 0.00 0.00 42.46 38.41 3ic8 s ILE 34 CO 0.44 0.47 1.39 -2.16 0.00 0.00 0.00 174.94 175.07 3ic8 s PRO 35 N -0.09 4.29 0.35 2.79 0.04 -1.26 -4.81 135.00 136.30 3ic8 s PRO 35 Ca 0.18 2.29 0.06 0.00 0.04 0.00 0.00 61.00 63.56 3ic8 s PRO 35 Cb -0.14 -3.08 0.66 0.00 0.04 0.00 0.00 34.50 31.98 3ic8 s PRO 35 CO 0.06 -0.33 1.90 0.66 0.04 0.00 0.00 177.00 179.32 3ic8 h SER 36 N 4.15 0.44 0.00 6.66 4.64 -2.00 -3.48 113.55 123.96 3ic8 h SER 36 Ca -0.48 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 3ic8 h SER 36 Cb 1.22 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3ic8 h SER 36 CO 0.71 0.51 0.00 2.30 -0.87 0.00 0.00 176.83 179.48 3ic8 n ILE 37 N -4.29 0.00 0.00 0.95 -6.64 -1.26 -5.15 119.36 102.97 3ic8 n ILE 37 Ca 0.01 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.99 3ic8 n ILE 37 Cb 0.23 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.43 3ic8 n ILE 37 CO 0.00 0.00 0.00 -2.65 -1.77 0.00 0.00 176.55 172.13 3ic8 n PRO 39 N 0.00 0.00 -2.92 6.28 -0.02 -1.26 -5.12 135.00 131.96 3ic8 n PRO 39 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.28 3ic8 n PRO 39 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.46 3ic8 n PRO 39 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3ic8 n LYS 40 N 0.00 2.01 0.25 -0.52 4.01 -1.26 -4.89 118.16 117.76 3ic8 n LYS 40 Ca 0.00 -3.95 0.11 0.00 -0.51 0.00 0.00 58.31 53.96 3ic8 n LYS 40 Cb 0.00 -1.85 0.64 0.00 -0.51 0.00 0.00 35.03 33.31 3ic8 n LYS 40 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 3ic8 h PRO 41 N 2.94 0.00 -0.61 1.97 0.13 -2.00 -2.68 132.00 131.74 3ic8 h PRO 41 Ca 0.10 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.20 3ic8 h PRO 41 Cb 0.87 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.97 3ic8 h PRO 41 CO 0.64 0.16 0.28 -0.44 -0.23 0.00 0.00 178.00 178.42 3ic8 h ASP 42 N 0.00 0.81 -0.17 1.44 5.19 -1.95 -2.50 116.42 119.24 3ic8 h ASP 42 Ca -0.00 -0.14 -0.08 0.00 -0.62 0.00 0.00 57.03 56.18 3ic8 h ASP 42 Cb 0.43 -0.21 -0.00 0.00 0.18 0.00 0.00 39.33 39.73 3ic8 h ASP 42 CO 0.02 0.73 -0.21 0.25 -3.12 0.00 0.00 179.24 176.90 3ic8 h LEU 43 N 0.84 0.48 -1.64 1.55 6.46 -1.89 -3.38 115.31 117.74 3ic8 h LEU 43 Ca 0.21 -0.50 0.00 0.00 -0.12 0.00 0.00 57.88 57.46 3ic8 h LEU 43 Cb 0.14 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 39.94 3ic8 h LEU 43 CO -0.02 0.89 0.00 0.74 -0.62 0.00 0.00 178.44 179.43 3ic8 h THR 44 N 0.08 0.00 -0.36 1.05 2.02 -1.32 -2.17 112.91 112.22 3ic8 h THR 44 Ca 0.02 -0.44 -0.06 0.00 0.77 0.00 0.00 66.41 66.70 3ic8 h THR 44 Cb 0.77 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 3ic8 h THR 44 CO 0.05 0.00 -0.02 0.00 0.37 0.00 0.00 175.52 175.92 3ic8 h ALA 45 N 2.01 0.48 0.24 6.16 0.00 -1.62 0.81 119.26 127.34 3ic8 h ALA 45 Ca 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3ic8 h ALA 45 Cb 0.44 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3ic8 h ALA 45 CO 0.00 0.27 -0.12 -0.07 0.00 0.00 0.00 179.25 179.33 3ic8 h LEU 46 N 0.45 -0.28 -0.89 0.00 3.38 -1.72 -3.37 115.31 112.89 3ic8 h LEU 46 Ca 0.10 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 3ic8 h LEU 46 Cb 0.49 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3ic8 h LEU 46 CO 0.02 0.10 -0.02 0.74 0.09 0.00 0.00 178.44 179.37 3ic8 h THR 47 N -0.69 1.25 -0.00 0.22 2.02 -1.40 -3.47 112.91 110.82 3ic8 h THR 47 Ca -0.03 -1.04 -0.00 0.00 0.77 0.00 0.00 66.41 66.11 3ic8 h THR 47 Cb 0.48 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 67.79 3ic8 h THR 47 CO 0.06 0.36 -0.00 0.61 0.37 0.00 0.00 175.52 176.92 3ic8 n GLY 48 N -0.60 0.47 0.00 2.16 0.00 0.28 -4.07 105.19 103.44 3ic8 n GLY 48 Ca 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3ic8 n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ic8 n GLY 49 N -2.94 0.41 3.56 -0.02 0.00 -1.23 -4.63 105.19 100.34 3ic8 n GLY 49 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3ic8 n GLY 49 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ic8 s TYR 50 N -0.84 3.15 0.03 1.61 5.04 -1.26 -4.78 117.35 120.29 3ic8 s TYR 50 Ca 0.00 0.29 -0.23 0.00 -2.44 0.00 0.00 57.07 54.69 3ic8 s TYR 50 Cb 0.00 -3.13 -0.15 0.00 0.35 0.00 0.00 41.96 39.03 3ic8 s TYR 50 CO 0.00 -0.64 1.43 0.00 -1.34 0.00 0.00 175.55 175.01 3ic8 h ARG 51 N 8.50 0.15 -6.92 4.97 2.47 -1.97 -3.47 114.38 118.11 3ic8 h ARG 51 Ca -0.26 -0.05 -0.53 0.00 -1.26 0.00 0.00 59.98 57.87 3ic8 h ARG 51 Cb 1.11 -0.01 0.09 0.00 -1.65 0.00 0.00 29.97 29.51 3ic8 h ARG 51 CO 0.83 0.45 0.69 0.21 0.56 0.00 0.00 179.97 182.71 3ic8 s LYS 52 N -4.82 4.16 0.16 0.04 2.20 -1.26 -5.02 119.74 115.20 3ic8 s LYS 52 Ca -0.15 2.35 0.06 0.00 -0.36 0.00 0.00 55.97 57.87 3ic8 s LYS 52 Cb 0.04 -2.96 -0.04 0.00 -1.51 0.00 0.00 37.83 33.36 3ic8 s LYS 52 CO 0.70 -0.40 -0.13 0.95 -0.36 0.00 0.00 175.35 176.11 3ic8 s THR 53 N -1.16 1.46 0.68 3.43 -4.23 -1.26 -4.54 115.64 110.01 3ic8 s THR 53 Ca 0.52 -2.02 -0.12 0.00 -1.18 0.00 0.00 61.69 58.89 3ic8 s THR 53 Cb -0.42 -1.84 0.00 0.00 1.34 0.00 0.00 72.50 71.58 3ic8 s THR 53 CO 0.56 -0.59 1.06 -2.84 -0.54 0.00 0.00 174.62 172.28 3ic8 s PRO 54 N -3.39 3.00 -0.01 3.99 0.02 -1.26 -4.92 135.00 132.42 3ic8 s PRO 54 Ca 0.17 1.00 0.05 0.00 0.02 0.00 0.00 61.00 62.24 3ic8 s PRO 54 Cb -0.01 -2.00 -0.01 0.00 0.02 0.00 0.00 34.50 32.50 3ic8 s PRO 54 CO 0.04 -1.05 -0.17 0.08 -0.33 0.00 0.00 177.00 175.57 3ic8 s VAL 55 N -2.94 1.31 -0.11 3.83 1.01 -0.87 -4.42 120.40 118.21 3ic8 s VAL 55 Ca 0.59 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 3ic8 s VAL 55 Cb -0.14 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 3ic8 s VAL 55 CO 0.52 0.35 -0.08 -0.22 0.00 0.00 0.00 175.10 175.67 3ic8 s LEU 56 N -0.45 3.05 -0.09 3.92 2.96 -0.84 -1.44 118.68 125.79 3ic8 s LEU 56 Ca 0.06 -0.15 0.03 0.00 -0.22 0.00 0.00 54.13 53.86 3ic8 s LEU 56 Cb -0.07 -1.69 0.00 0.00 0.50 0.00 0.00 46.19 44.94 3ic8 s LEU 56 CO -0.00 0.25 -0.21 -1.58 -1.32 0.00 0.00 176.35 173.48 3ic8 s GLN 57 N -0.11 2.68 -0.19 1.98 0.74 0.18 0.14 119.66 125.08 3ic8 s GLN 57 Ca 0.01 -0.75 0.01 0.00 0.05 0.00 0.00 55.36 54.67 3ic8 s GLN 57 Cb -0.13 -2.06 0.04 0.00 1.10 0.00 0.00 33.01 31.96 3ic8 s GLN 57 CO 0.03 0.13 -0.11 0.42 -0.55 0.00 0.00 175.29 175.21 3ic8 s ILE 58 N 0.45 1.64 0.00 -2.34 1.01 -0.43 -1.87 121.20 119.66 3ic8 s ILE 58 Ca -0.17 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.50 3ic8 s ILE 58 Cb -0.17 -1.70 0.00 0.00 0.01 0.00 0.00 42.46 40.60 3ic8 s ILE 58 CO 0.07 0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.82 3ic8 n GLY 59 N 4.69 4.16 1.31 6.18 0.00 -1.26 0.11 105.19 120.38 3ic8 n GLY 59 Ca -0.15 0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.11 3ic8 n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ic8 n ALA 60 N 12.64 2.58 -3.19 4.61 0.00 -1.26 -4.09 120.51 131.79 3ic8 n ALA 60 Ca 0.00 -1.40 -0.35 0.00 0.00 0.00 0.00 53.44 51.69 3ic8 n ALA 60 Cb 0.00 -0.88 -0.13 0.00 0.00 0.00 0.00 19.45 18.45 3ic8 n ALA 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ic8 s ASP 61 N -1.00 4.70 -0.18 0.00 1.01 0.12 -1.74 116.67 119.58 3ic8 s ASP 61 Ca 0.46 -0.25 -0.05 0.00 0.71 0.00 0.00 52.55 53.41 3ic8 s ASP 61 Cb 0.26 -1.81 -0.03 0.00 1.01 0.00 0.00 42.92 42.35 3ic8 s ASP 61 CO 0.28 0.04 0.01 -0.63 0.21 0.00 0.00 175.17 175.07 3ic8 s ILE 62 N 1.17 4.26 -0.27 0.77 -1.09 -0.39 -1.31 121.20 124.34 3ic8 s ILE 62 Ca 0.03 -0.22 -0.05 0.00 -2.23 0.00 0.00 60.65 58.18 3ic8 s ILE 62 Cb -0.14 -2.90 0.01 0.00 -1.58 0.00 0.00 42.46 37.84 3ic8 s ILE 62 CO 0.01 0.46 0.02 -0.31 -1.23 0.00 0.00 174.94 173.89 3ic8 s TYR 63 N 0.55 3.09 -0.23 3.97 2.02 0.12 -0.62 117.35 126.25 3ic8 s TYR 63 Ca -0.00 -1.10 -0.11 0.00 -0.37 0.00 0.00 57.07 55.49 3ic8 s TYR 63 Cb -0.14 -2.18 -0.05 0.00 -0.40 0.00 0.00 41.96 39.20 3ic8 s TYR 63 CO 0.02 -0.60 0.17 0.00 -1.57 0.00 0.00 175.55 173.57 3ic8 n ASP 65 N 4.13 -0.12 0.25 0.00 2.03 -1.26 -4.41 116.55 117.16 3ic8 n ASP 65 Ca -0.15 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.26 3ic8 n ASP 65 Cb 0.52 0.01 0.65 0.00 -0.72 0.00 0.00 41.12 41.58 3ic8 n ASP 65 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 3ic8 h THR 66 N 0.00 0.78 -0.15 5.18 1.35 -1.91 -2.35 112.91 115.81 3ic8 h THR 66 Ca 0.00 -0.55 -0.01 0.00 -0.55 0.00 0.00 66.41 65.30 3ic8 h THR 66 Cb 0.00 1.33 -0.01 0.00 -1.73 0.00 0.00 68.15 67.74 3ic8 h THR 66 CO 0.00 0.14 0.05 0.00 -0.25 0.00 0.00 175.52 175.46 3ic8 h ALA 67 N 1.86 0.19 0.00 6.62 0.00 -1.99 -0.77 119.26 125.16 3ic8 h ALA 67 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3ic8 h ALA 67 Cb 0.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3ic8 h ALA 67 CO 0.02 -0.20 0.00 -0.11 0.00 0.00 0.00 179.25 178.96 3ic8 n LEU 68 N -4.86 0.48 0.00 0.00 0.00 -0.89 -2.95 117.00 108.78 3ic8 n LEU 68 Ca -0.05 -0.23 0.00 0.00 0.00 0.00 0.00 56.01 55.73 3ic8 n LEU 68 Cb 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 43.42 43.46 3ic8 n LEU 68 CO 0.35 0.09 0.00 0.00 0.00 0.00 0.00 177.39 177.82 3ic8 n ALA 70 N 1.37 0.00 -0.21 1.96 0.00 -0.30 -1.46 120.51 121.87 3ic8 n ALA 70 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3ic8 n ALA 70 Cb 0.06 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.53 3ic8 n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ic8 h ARG 71 N 0.00 1.04 -0.41 0.00 3.08 -1.81 -0.55 114.38 115.73 3ic8 h ARG 71 Ca 0.00 -0.32 -0.06 0.00 0.07 0.00 0.00 59.98 59.68 3ic8 h ARG 71 Cb 0.00 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 3ic8 h ARG 71 CO 0.00 1.01 0.01 -0.09 -1.07 0.00 0.00 179.97 179.83 3ic8 h ARG 72 N 0.94 0.65 -0.69 0.04 9.65 -1.57 -1.85 114.38 121.55 3ic8 h ARG 72 Ca 0.17 -0.15 -0.06 0.00 -1.10 0.00 0.00 59.98 58.84 3ic8 h ARG 72 Cb 0.52 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 28.98 3ic8 h ARG 72 CO 0.02 0.66 0.20 -0.07 2.80 0.00 0.00 179.97 183.59 3ic8 h LEU 73 N 0.62 0.99 -0.71 3.80 3.38 -1.75 -0.70 115.31 120.94 3ic8 h LEU 73 Ca 0.13 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3ic8 h LEU 73 Cb 0.38 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3ic8 h LEU 73 CO 0.01 0.93 0.30 -0.08 0.09 0.00 0.00 178.44 179.70 3ic8 h GLU 74 N 1.02 1.04 -0.55 1.13 4.57 -0.44 -1.04 114.58 120.31 3ic8 h GLU 74 Ca 0.22 -0.18 -0.04 0.00 -1.18 0.00 0.00 59.36 58.19 3ic8 h GLU 74 Cb 0.30 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 3ic8 h GLU 74 CO -0.01 0.85 0.21 0.37 -1.18 0.00 0.00 179.01 179.25 3ic8 h GLN 75 N 1.00 0.84 0.41 1.92 4.15 -1.01 -3.09 115.11 119.33 3ic8 h GLN 75 Ca 0.24 -0.16 -0.02 0.00 0.77 0.00 0.00 58.65 59.48 3ic8 h GLN 75 Cb 0.18 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.74 3ic8 h GLN 75 CO -0.02 0.74 -0.20 1.49 -1.93 0.00 0.00 178.83 178.91 3ic8 h GLU 76 N 0.76 -0.53 -4.31 1.69 4.57 -0.08 -3.41 114.58 113.28 3ic8 h GLU 76 Ca 0.18 0.04 -0.58 0.00 -1.18 0.00 0.00 59.36 57.82 3ic8 h GLU 76 Cb 0.22 0.12 -0.38 0.00 -0.16 0.00 0.00 28.75 28.56 3ic8 h GLU 76 CO -0.01 -0.22 -0.80 0.21 -1.18 0.00 0.00 179.01 177.02 3ic8 s LYS 77 N -4.59 1.64 0.39 1.92 2.20 -0.50 -5.04 119.74 115.77 3ic8 s LYS 77 Ca -0.14 -0.69 0.09 0.00 -0.36 0.00 0.00 55.97 54.87 3ic8 s LYS 77 Cb 0.02 -2.23 0.80 0.00 -1.51 0.00 0.00 37.83 34.91 3ic8 s LYS 77 CO 0.50 -0.46 1.94 0.00 -0.36 0.00 0.00 175.35 176.97 3ic8 h ALA 78 N 8.05 1.54 -3.91 3.13 0.00 -1.78 -3.41 119.26 122.89 3ic8 h ALA 78 Ca -0.24 -0.18 -0.56 0.00 0.00 0.00 0.00 54.91 53.93 3ic8 h ALA 78 Cb 1.10 -0.09 -0.24 0.00 0.00 0.00 0.00 17.79 18.56 3ic8 h ALA 78 CO 0.43 0.33 -0.83 0.45 0.00 0.00 0.00 179.25 179.63 3ic8 s SER 79 N -6.86 2.39 0.48 0.00 0.15 -1.26 -3.01 113.70 105.58 3ic8 s SER 79 Ca -0.06 -0.56 -0.23 0.00 0.70 0.00 0.00 55.95 55.80 3ic8 s SER 79 Cb 0.16 -0.17 -0.07 0.00 -1.71 0.00 0.00 66.02 64.23 3ic8 s SER 79 CO 0.73 0.11 1.24 -2.16 1.20 0.00 0.00 173.24 174.37 3ic8 s PRO 80 N -1.38 3.58 0.21 5.44 0.04 -1.26 -4.95 135.00 136.68 3ic8 s PRO 80 Ca 0.06 1.97 -0.30 0.00 0.04 0.00 0.00 61.00 62.77 3ic8 s PRO 80 Cb -0.09 -2.40 -0.08 0.00 0.04 0.00 0.00 34.50 31.97 3ic8 s PRO 80 CO 0.02 -0.75 1.03 0.00 0.04 0.00 0.00 177.00 177.34 3ic8 s ALA 81 N -1.43 3.35 0.20 8.56 0.00 -1.16 -4.86 121.76 126.40 3ic8 s ALA 81 Ca 0.65 0.73 -0.08 0.00 0.00 0.00 0.00 51.96 53.27 3ic8 s ALA 81 Cb -0.33 -3.29 0.12 0.00 0.00 0.00 0.00 23.12 19.62 3ic8 s ALA 81 CO 0.40 -0.04 1.66 0.74 0.00 0.00 0.00 175.76 178.53 3ic8 h PHE 82 N 4.62 1.11 -3.54 0.00 0.04 -1.87 -3.40 116.94 113.90 3ic8 h PHE 82 Ca -0.45 -0.19 -0.69 0.00 2.80 0.00 0.00 57.97 59.44 3ic8 h PHE 82 Cb 1.21 -0.29 -0.34 0.00 2.20 0.00 0.00 35.95 38.72 3ic8 h PHE 82 CO 0.62 0.99 -0.58 0.71 -0.60 0.00 0.00 178.31 179.45 3ic8 s TYR 83 N -5.01 3.54 0.54 -0.55 1.51 -1.26 -1.11 117.35 115.01 3ic8 s TYR 83 Ca -0.11 -2.32 -0.22 0.00 -1.01 0.00 0.00 57.07 53.41 3ic8 s TYR 83 Cb 0.14 -3.03 -0.05 0.00 -0.11 0.00 0.00 41.96 38.91 3ic8 s TYR 83 CO 0.85 -0.94 1.32 -2.14 -1.11 0.00 0.00 175.55 173.53 3ic8 s PRO 84 N 1.16 3.19 0.13 -1.71 0.02 -1.26 -4.84 135.00 131.69 3ic8 s PRO 84 Ca 0.06 2.13 -0.31 0.00 0.02 0.00 0.00 61.00 62.91 3ic8 s PRO 84 Cb -0.22 -2.24 -0.08 0.00 0.02 0.00 0.00 34.50 31.98 3ic8 s PRO 84 CO -0.04 -1.12 1.34 1.14 -0.33 0.00 0.00 177.00 177.99 3ic8 s GLN 85 N -2.92 4.36 0.00 5.54 0.00 -1.26 -2.35 119.66 123.02 3ic8 s GLN 85 Ca 0.71 2.02 0.00 0.00 -0.00 0.00 0.00 55.36 58.09 3ic8 s GLN 85 Cb -0.38 -3.25 0.00 0.00 0.00 0.00 0.00 33.01 29.38 3ic8 s GLN 85 CO 0.44 -0.36 0.00 0.41 0.00 0.00 0.00 175.29 175.79 3ic8 n GLY 86 N 3.14 0.75 0.18 2.60 0.00 -1.26 -4.84 105.19 105.76 3ic8 n GLY 86 Ca 0.10 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.18 3ic8 n GLY 86 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ic8 n GLN 87 N -2.40 1.00 -0.10 1.61 6.02 -0.99 -4.94 117.38 117.57 3ic8 n GLN 87 Ca 0.00 -1.99 -0.09 0.00 -0.01 0.00 0.00 57.00 54.91 3ic8 n GLN 87 Cb 0.00 -1.15 -0.02 0.00 1.02 0.00 0.00 30.24 30.09 3ic8 n GLN 87 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3ic8 h GLU 88 N 0.00 0.45 -0.34 -1.09 3.07 -1.88 -2.05 114.58 112.73 3ic8 h GLU 88 Ca 0.00 -0.06 -0.05 0.00 -0.50 0.00 0.00 59.36 58.76 3ic8 h GLU 88 Cb 1.08 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.89 3ic8 h GLU 88 CO 0.00 0.39 0.03 0.35 -1.40 0.00 0.00 179.01 178.38 3ic8 h PHE 89 N 0.39 0.63 -0.69 4.33 3.57 -1.93 -2.11 116.94 121.12 3ic8 h PHE 89 Ca 0.11 -0.10 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 3ic8 h PHE 89 Cb 0.08 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 3ic8 h PHE 89 CO -0.03 0.67 0.22 0.00 -2.23 0.00 0.00 178.31 176.95 3ic8 h ALA 90 N 0.88 1.09 -0.48 2.41 0.00 -1.94 -1.48 119.26 119.74 3ic8 h ALA 90 Ca 0.10 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 3ic8 h ALA 90 Cb 0.40 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3ic8 h ALA 90 CO 0.01 0.62 -0.01 0.28 0.00 0.00 0.00 179.25 180.16 3ic8 h VAL 91 N 1.02 1.26 -0.61 0.00 2.07 -1.26 -2.27 116.25 116.46 3ic8 h VAL 91 Ca 0.23 -1.08 -0.04 0.00 0.82 0.00 0.00 66.70 66.62 3ic8 h VAL 91 Cb 0.28 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 3ic8 h VAL 91 CO -0.01 0.38 0.21 0.00 0.02 0.00 0.00 177.57 178.17 3ic8 h ALA 92 N 0.92 0.80 -0.29 1.67 0.00 -1.10 -2.60 119.26 118.65 3ic8 h ALA 92 Ca 0.13 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3ic8 h ALA 92 Cb 0.52 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3ic8 h ALA 92 CO 0.03 0.44 0.06 0.78 0.00 0.00 0.00 179.25 180.55 3ic8 h GLY 93 N 0.86 0.52 1.03 0.00 0.00 -1.20 -0.49 103.07 103.78 3ic8 h GLY 93 Ca 0.20 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 3ic8 h GLY 93 CO -0.01 0.31 0.31 -2.00 0.00 0.00 0.00 176.54 175.16 3ic8 h LEU 94 N 0.31 1.00 -0.55 3.11 5.85 -1.42 0.14 115.31 123.75 3ic8 h LEU 94 Ca 0.09 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 3ic8 h LEU 94 Cb 0.32 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 3ic8 h LEU 94 CO 0.00 0.89 0.21 0.00 -0.34 0.00 0.00 178.44 179.20 3ic8 h ALA 95 N 1.15 0.71 -0.58 1.25 0.00 -1.28 0.24 119.26 120.76 3ic8 h ALA 95 Ca 0.25 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3ic8 h ALA 95 Cb 0.18 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3ic8 h ALA 95 CO -0.02 0.34 0.13 0.00 0.00 0.00 0.00 179.25 179.70 3ic8 h ALA 96 N 1.06 1.14 -0.36 0.00 0.00 -0.74 -1.26 119.26 119.10 3ic8 h ALA 96 Ca 0.18 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3ic8 h ALA 96 Cb 0.22 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3ic8 h ALA 96 CO -0.01 0.58 0.06 2.35 0.00 0.00 0.00 179.25 182.22 3ic8 h TRP 97 N 0.87 0.64 -0.44 0.00 7.01 -0.50 -2.46 115.95 121.07 3ic8 h TRP 97 Ca 0.19 -0.09 -0.04 0.00 2.11 0.00 0.00 58.89 61.06 3ic8 h TRP 97 Cb 0.33 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.19 3ic8 h TRP 97 CO 0.02 0.65 0.13 0.00 -2.79 0.00 0.00 178.44 176.45 3ic8 h ALA 98 N 0.90 0.57 0.00 2.65 0.00 -0.81 0.24 119.26 122.82 3ic8 h ALA 98 Ca 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3ic8 h ALA 98 Cb 0.36 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3ic8 h ALA 98 CO 0.01 0.23 -0.07 -0.44 0.00 0.00 0.00 179.25 178.98 3ic8 h ASP 99 N 0.57 0.00 0.00 0.00 3.32 -1.24 -0.09 116.42 118.97 3ic8 h ASP 99 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3ic8 h ASP 99 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3ic8 h ASP 99 CO -0.00 0.07 0.00 -1.54 -1.72 0.00 0.00 179.24 176.05 3ic8 n SER 100 N -3.29 0.00 0.04 6.45 3.41 -0.93 -4.51 113.62 114.79 3ic8 n SER 100 Ca -0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.47 3ic8 n SER 100 Cb 0.26 -0.28 -0.08 0.00 -0.26 0.00 0.00 64.21 63.85 3ic8 n SER 100 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3ic8 h VAL 101 N 0.00 1.11 -0.56 -3.33 2.07 -0.68 -2.73 116.25 112.13 3ic8 h VAL 101 Ca 0.00 -0.53 -0.07 0.00 0.82 0.00 0.00 66.70 66.92 3ic8 h VAL 101 Cb 0.00 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 3ic8 h VAL 101 CO 0.00 0.13 0.09 0.25 0.02 0.00 0.00 177.57 178.06 3ic8 h LEU 102 N -0.31 0.89 -0.40 2.57 5.85 -1.40 -2.77 115.31 119.74 3ic8 h LEU 102 Ca -0.01 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 3ic8 h LEU 102 Cb 0.27 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3ic8 h LEU 102 CO 0.01 0.93 0.15 0.15 -0.34 0.00 0.00 178.44 179.35 3ic8 h PHE 103 N 0.82 0.62 -0.70 1.25 3.57 -1.09 -2.48 116.94 118.93 3ic8 h PHE 103 Ca 0.17 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 3ic8 h PHE 103 Cb 0.42 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 3ic8 h PHE 103 CO 0.03 0.55 0.31 1.25 -2.23 0.00 0.00 178.31 178.23 3ic8 h LEU 104 N 0.51 0.92 -0.57 0.59 7.12 -1.42 -1.37 115.31 121.09 3ic8 h LEU 104 Ca 0.13 -0.11 -0.02 0.00 0.13 0.00 0.00 57.88 58.01 3ic8 h LEU 104 Cb 0.20 -0.24 -0.03 0.00 -0.53 0.00 0.00 40.66 40.07 3ic8 h LEU 104 CO -0.01 0.80 0.29 0.45 -0.13 0.00 0.00 178.44 179.84 3ic8 h HIS 105 N 1.00 0.81 -0.45 1.25 3.86 -1.38 -2.45 115.15 117.79 3ic8 h HIS 105 Ca 0.24 -0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.37 3ic8 h HIS 105 Cb 0.14 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 3ic8 h HIS 105 CO 0.01 0.61 0.11 0.00 0.86 0.00 0.00 177.93 179.52 3ic8 h ALA 106 N 1.12 0.59 -0.31 2.45 0.00 -0.83 -0.75 119.26 121.54 3ic8 h ALA 106 Ca 0.20 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3ic8 h ALA 106 Cb 0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3ic8 h ALA 106 CO -0.03 0.28 -0.17 -0.39 0.00 0.00 0.00 179.25 178.94 3ic8 h VAL 107 N 0.60 1.25 -0.61 0.00 -1.51 -1.29 -2.57 116.25 112.11 3ic8 h VAL 107 Ca 0.14 -1.14 -0.05 0.00 -1.23 0.00 0.00 66.70 64.43 3ic8 h VAL 107 Cb 0.32 1.20 -0.03 0.00 -2.13 0.00 0.00 31.29 30.65 3ic8 h VAL 107 CO 0.00 0.37 0.20 -1.28 -1.23 0.00 0.00 177.57 175.63 3ic8 h SER 108 N 0.50 0.88 -0.76 4.19 0.87 -1.31 0.30 113.55 118.22 3ic8 h SER 108 Ca 0.08 -0.20 -0.03 0.00 -1.23 0.00 0.00 61.79 60.42 3ic8 h SER 108 Cb 0.58 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.27 3ic8 h SER 108 CO 0.04 0.85 0.37 -0.07 -0.53 0.00 0.00 176.83 177.49 3ic8 h LEU 109 N 0.87 0.99 0.36 2.23 3.38 -0.91 0.24 115.31 122.47 3ic8 h LEU 109 Ca 0.20 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3ic8 h LEU 109 Cb 0.27 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3ic8 h LEU 109 CO -0.01 0.84 -0.17 0.58 0.09 0.00 0.00 178.44 179.77 3ic8 h VAL 110 N 1.07 0.43 0.00 1.22 2.07 -1.33 -3.30 116.25 116.41 3ic8 h VAL 110 Ca 0.26 -0.69 -0.08 0.00 0.82 0.00 0.00 66.70 67.01 3ic8 h VAL 110 Cb 0.11 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3ic8 h VAL 110 CO -0.03 0.09 -0.40 -0.26 0.02 0.00 0.00 177.57 176.99 3ic8 h PHE 111 N -0.97 0.00 -2.08 1.57 0.04 -0.38 -3.38 116.94 111.75 3ic8 h PHE 111 Ca -0.05 0.00 -0.54 0.00 2.80 0.00 0.00 57.97 60.18 3ic8 h PHE 111 Cb 0.52 0.00 -0.40 0.00 2.20 0.00 0.00 35.95 38.27 3ic8 h PHE 111 CO 0.03 0.40 -0.99 0.94 -0.60 0.00 0.00 178.31 178.09 3ic8 n GLN 112 N -3.46 1.51 0.05 1.51 7.27 0.85 -4.93 117.38 120.17 3ic8 n GLN 112 Ca 0.00 -3.78 0.09 0.00 0.07 0.00 0.00 57.00 53.38 3ic8 n GLN 112 Cb 0.55 -1.73 0.37 0.00 2.41 0.00 0.00 30.24 31.84 3ic8 n GLN 112 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 3ic8 n PRO 113 N 0.61 0.07 0.00 3.69 -0.04 -1.24 -2.19 135.00 135.89 3ic8 n PRO 113 Ca 0.26 0.32 0.16 0.00 -0.04 0.00 0.00 63.50 64.20 3ic8 n PRO 113 Cb 0.54 -1.64 0.87 0.00 -0.04 0.00 0.00 33.50 33.23 3ic8 n PRO 113 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3ic8 n GLU 114 N -1.77 0.82 -0.00 0.54 0.00 -1.26 -5.09 120.64 113.88 3ic8 n GLU 114 Ca 0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 57.16 57.16 3ic8 n GLU 114 Cb 0.18 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.12 3ic8 n GLU 114 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 3ic8 n SER 115 N -1.07 -0.68 0.00 -1.84 3.41 -0.93 -5.18 113.62 107.33 3ic8 n SER 115 Ca 0.21 -0.66 0.00 0.00 -0.26 0.00 0.00 58.87 58.16 3ic8 n SER 115 Cb 0.16 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 3ic8 n SER 115 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3ic8 n GLU 150 N -1.34 0.00 -3.19 4.33 0.00 -1.26 -4.80 120.64 114.37 3ic8 n GLU 150 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.74 3ic8 n GLU 150 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.37 3ic8 n GLU 150 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 3ic8 s GLN 151 N 0.00 3.35 0.11 3.44 -0.21 -1.26 -4.94 119.66 120.15 3ic8 s GLN 151 Ca 0.00 -0.38 -0.18 0.00 0.02 0.00 0.00 55.36 54.82 3ic8 s GLN 151 Cb 0.00 -3.91 -0.05 0.00 1.00 0.00 0.00 33.01 30.05 3ic8 s GLN 151 CO 0.00 -0.86 1.62 0.28 -2.12 0.00 0.00 175.29 174.21 3ic8 h VAL 152 N 5.76 1.20 -0.65 1.09 2.07 -1.97 -2.15 116.25 121.61 3ic8 h VAL 152 Ca -0.26 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.56 3ic8 h VAL 152 Cb 1.11 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 3ic8 h VAL 152 CO 0.83 0.22 0.18 0.11 0.02 0.00 0.00 177.57 178.94 3ic8 h LYS 153 N 0.32 1.00 -0.58 1.57 1.57 -1.92 -2.07 116.57 116.46 3ic8 h LYS 153 Ca 0.10 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 3ic8 h LYS 153 Cb 0.24 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 3ic8 h LYS 153 CO -0.00 0.87 0.25 1.25 -0.57 0.00 0.00 179.45 181.24 3ic8 h HIS 154 N 0.96 0.86 -0.24 -1.35 2.76 -1.93 -3.16 115.15 113.04 3ic8 h HIS 154 Ca 0.21 -0.06 -0.13 0.00 -2.20 0.00 0.00 60.37 58.19 3ic8 h HIS 154 Cb 0.30 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 3ic8 h HIS 154 CO 0.02 0.68 -0.40 1.96 -1.30 0.00 0.00 177.93 178.89 3ic8 h GLN 155 N 0.79 0.57 -0.99 5.26 4.20 -1.09 -3.40 115.11 120.46 3ic8 h GLN 155 Ca 0.19 -0.29 0.01 0.00 0.06 0.00 0.00 58.65 58.63 3ic8 h GLN 155 Cb 0.17 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.90 3ic8 h GLN 155 CO -0.02 0.88 0.66 2.35 -0.67 0.00 0.00 178.83 182.02 3ic8 h TRP 156 N 0.47 1.24 0.00 2.96 2.91 -1.34 -1.84 115.95 120.35 3ic8 h TRP 156 Ca 0.04 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.06 3ic8 h TRP 156 Cb 0.90 -0.42 -0.00 0.00 -0.51 0.00 0.00 29.16 29.13 3ic8 h TRP 156 CO 0.04 0.77 -0.15 -1.00 -1.03 0.00 0.00 178.44 177.07 3ic8 h PRO 157 N 1.33 0.00 -0.47 2.65 0.13 -1.77 -2.03 132.00 131.84 3ic8 h PRO 157 Ca 0.37 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.46 3ic8 h PRO 157 Cb -0.13 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 30.98 3ic8 h PRO 157 CO -0.09 0.15 0.14 1.15 -0.23 0.00 0.00 178.00 179.13 3ic8 h THR 158 N 0.00 1.23 0.00 1.56 2.02 -1.60 -1.25 112.91 114.87 3ic8 h THR 158 Ca -0.00 -0.77 0.00 0.00 0.77 0.00 0.00 66.41 66.41 3ic8 h THR 158 Cb 0.29 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 3ic8 h THR 158 CO 0.02 0.28 0.00 0.49 0.37 0.00 0.00 175.52 176.68 3ic8 n PHE 159 N -4.52 0.00 0.00 3.16 3.72 -0.77 -2.82 117.46 116.23 3ic8 n PHE 159 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 3ic8 n PHE 159 Cb 0.20 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 3ic8 n PHE 159 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3ic8 n SER 161 N 0.34 0.00 -0.19 4.37 3.41 -0.47 -1.66 113.62 119.41 3ic8 n SER 161 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 3ic8 n SER 161 Cb 0.05 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.01 3ic8 n SER 161 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3ic8 h ARG 162 N 0.00 0.98 -0.48 4.33 3.08 -1.77 -2.05 114.38 118.46 3ic8 h ARG 162 Ca 0.00 -0.31 -0.05 0.00 0.07 0.00 0.00 59.98 59.69 3ic8 h ARG 162 Cb 0.00 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 3ic8 h ARG 162 CO 0.00 0.98 0.12 1.25 -1.07 0.00 0.00 179.97 181.25 3ic8 h LEU 163 N 0.86 0.73 -0.74 3.04 5.85 -1.60 -2.61 115.31 120.84 3ic8 h LEU 163 Ca 0.16 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3ic8 h LEU 163 Cb 0.54 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 3ic8 h LEU 163 CO 0.03 0.77 0.41 -0.08 -0.34 0.00 0.00 178.44 179.23 3ic8 h GLU 164 N 0.66 1.02 -0.52 1.25 4.57 -1.82 -0.87 114.58 118.87 3ic8 h GLU 164 Ca 0.15 -0.11 -0.04 0.00 -1.18 0.00 0.00 59.36 58.17 3ic8 h GLU 164 Cb 0.33 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 3ic8 h GLU 164 CO 0.00 0.76 0.15 0.77 -1.18 0.00 0.00 179.01 179.51 3ic8 h SER 165 N 1.02 0.76 -0.68 1.04 0.02 -1.26 0.05 113.55 114.51 3ic8 h SER 165 Ca 0.26 -0.22 -0.04 0.00 -0.84 0.00 0.00 61.79 60.96 3ic8 h SER 165 Cb 0.02 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 3ic8 h SER 165 CO -0.04 0.78 0.28 -0.61 -1.14 0.00 0.00 176.83 176.09 3ic8 h GLN 166 N 0.71 1.01 0.00 3.45 4.15 -1.07 -2.51 115.11 120.86 3ic8 h GLN 166 Ca 0.16 -0.18 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 3ic8 h GLN 166 Cb 0.30 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 27.82 3ic8 h GLN 166 CO -0.00 0.84 -0.11 -0.07 -1.93 0.00 0.00 178.83 177.56 3ic8 h LEU 167 N 0.96 0.00 0.00 -2.39 3.38 -0.84 -2.88 115.31 113.54 3ic8 h LEU 167 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3ic8 h LEU 167 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3ic8 h LEU 167 CO -0.02 0.11 0.00 -1.54 0.09 0.00 0.00 178.44 177.08 3ic8 n SER 168 N -3.34 0.00 -1.01 -0.43 3.41 -0.02 -1.53 113.62 110.70 3ic8 n SER 168 Ca -0.01 0.39 0.09 0.00 -0.26 0.00 0.00 58.87 59.09 3ic8 n SER 168 Cb 0.31 -0.44 0.26 0.00 -0.26 0.00 0.00 64.21 64.07 3ic8 n SER 168 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3ic8 n HIS 169 N -1.44 0.68 -1.06 7.33 8.25 -1.09 -4.91 115.22 122.99 3ic8 n HIS 169 Ca 0.03 -0.34 -0.02 0.00 -0.26 0.00 0.00 57.72 57.13 3ic8 n HIS 169 Cb 0.11 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.21 3ic8 n HIS 169 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ic8 n GLY 170 N 1.38 0.54 3.77 -1.41 0.00 -0.58 -5.00 105.19 103.90 3ic8 n GLY 170 Ca 0.19 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 3ic8 n GLY 170 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ic8 s GLY 171 N -2.69 2.98 0.02 -0.02 0.00 -1.26 -4.93 107.32 101.41 3ic8 s GLY 171 Ca 0.00 1.35 -0.24 0.00 0.00 0.00 0.00 44.72 45.83 3ic8 s GLY 171 CO 0.00 2.00 1.37 -0.55 0.00 0.00 0.00 173.10 175.92 3ic8 h ASP 172 N 3.20 0.12 -5.52 1.64 3.32 -1.95 -3.48 116.42 113.76 3ic8 h ASP 172 Ca -0.50 -0.40 -0.21 0.00 0.02 0.00 0.00 57.03 55.94 3ic8 h ASP 172 Cb 1.23 -0.03 -0.15 0.00 0.22 0.00 0.00 39.33 40.60 3ic8 h ASP 172 CO 0.65 0.50 -0.59 -0.36 -1.72 0.00 0.00 179.24 177.71 3ic8 s PHE 173 N -4.59 1.01 0.29 4.55 0.40 -1.23 -4.96 117.98 113.45 3ic8 s PHE 173 Ca -0.15 -1.29 -0.01 0.00 -0.60 0.00 0.00 56.93 54.88 3ic8 s PHE 173 Cb 0.04 -0.48 0.43 0.00 0.51 0.00 0.00 43.02 43.51 3ic8 s PHE 173 CO 0.70 -0.63 1.89 -0.07 0.70 0.00 0.00 175.22 177.81 3ic8 h LEU 174 N 2.67 0.84 -3.40 -0.37 3.38 -1.93 -1.26 115.31 115.23 3ic8 h LEU 174 Ca -0.35 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.44 3ic8 h LEU 174 Cb 1.24 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.72 3ic8 h LEU 174 CO 0.54 0.72 0.05 0.49 0.09 0.00 0.00 178.44 180.32 3ic8 n PHE 175 N -4.34 1.38 0.00 1.13 3.01 -1.26 -4.99 117.46 112.39 3ic8 n PHE 175 Ca 0.06 -1.08 0.00 0.00 1.01 0.00 0.00 57.45 57.44 3ic8 n PHE 175 Cb 0.14 -0.44 0.00 0.00 -0.01 0.00 0.00 39.48 39.17 3ic8 n PHE 175 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ic8 n GLY 176 N -0.49 1.28 3.78 1.37 0.00 -0.48 -4.84 105.19 105.82 3ic8 n GLY 176 Ca 0.28 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.97 3ic8 n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ic8 s ALA 177 N 0.00 2.50 0.46 4.61 0.00 -1.26 -3.56 121.76 124.51 3ic8 s ALA 177 Ca 0.00 0.36 -0.22 0.00 0.00 0.00 0.00 51.96 52.10 3ic8 s ALA 177 Cb 0.00 -3.26 -0.08 0.00 0.00 0.00 0.00 23.12 19.77 3ic8 s ALA 177 CO 0.00 -1.30 1.06 -1.25 0.00 0.00 0.00 175.76 174.27 3ic8 s PRO 178 N -4.47 3.89 0.20 0.00 0.04 -1.26 -4.43 135.00 128.97 3ic8 s PRO 178 Ca 0.63 1.48 0.01 0.00 0.04 0.00 0.00 61.00 63.16 3ic8 s PRO 178 Cb -0.18 -2.27 -0.05 0.00 0.04 0.00 0.00 34.50 32.04 3ic8 s PRO 178 CO 0.47 -0.37 0.05 -1.54 0.04 0.00 0.00 177.00 175.64 3ic8 s SER 179 N -1.76 1.09 0.57 6.66 1.04 -1.26 -4.75 113.70 115.29 3ic8 s SER 179 Ca 0.64 -1.27 0.34 0.00 0.48 0.00 0.00 55.95 56.14 3ic8 s SER 179 Cb -0.20 0.16 1.65 0.00 0.10 0.00 0.00 66.02 67.73 3ic8 s SER 179 CO 0.25 -0.66 2.11 -0.29 0.98 0.00 0.00 173.24 175.63 3ic8 h ILE 180 N 2.58 0.23 -0.64 -1.02 6.09 -1.42 -2.73 117.51 120.61 3ic8 h ILE 180 Ca -0.37 -0.42 -0.06 0.00 -1.37 0.00 0.00 64.86 62.64 3ic8 h ILE 180 Cb 1.22 1.33 -0.03 0.00 0.47 0.00 0.00 36.82 39.82 3ic8 h ILE 180 CO 0.61 0.05 0.17 0.00 -3.07 0.00 0.00 178.15 175.92 3ic8 h ALA 181 N 1.94 1.10 -0.85 0.18 0.00 -1.83 -2.79 119.26 117.03 3ic8 h ALA 181 Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3ic8 h ALA 181 Cb 0.33 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3ic8 h ALA 181 CO 0.01 0.61 0.46 -0.44 0.00 0.00 0.00 179.25 179.88 3ic8 h ASP 182 N 0.95 1.06 -0.57 0.00 3.32 -1.88 -2.42 116.42 116.88 3ic8 h ASP 182 Ca 0.21 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.09 3ic8 h ASP 182 Cb 0.31 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3ic8 h ASP 182 CO -0.00 0.86 0.07 -0.26 -1.72 0.00 0.00 179.24 178.18 3ic8 h PHE 183 N 1.19 1.03 -0.37 4.55 0.04 -1.62 -0.31 116.94 121.45 3ic8 h PHE 183 Ca 0.30 -0.15 -0.02 0.00 2.80 0.00 0.00 57.97 60.90 3ic8 h PHE 183 Cb 0.04 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 37.89 3ic8 h PHE 183 CO 0.01 0.91 0.17 0.77 -0.60 0.00 0.00 178.31 179.57 3ic8 h SER 184 N 0.86 0.49 -0.41 2.17 0.02 -1.21 -0.64 113.55 114.83 3ic8 h SER 184 Ca 0.17 -0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 60.92 3ic8 h SER 184 Cb 0.45 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 3ic8 h SER 184 CO 0.02 0.49 0.01 0.58 -1.14 0.00 0.00 176.83 176.78 3ic8 h VAL 185 N 0.45 1.26 -0.48 2.27 2.07 -1.38 -3.21 116.25 117.22 3ic8 h VAL 185 Ca 0.13 -1.00 -0.04 0.00 0.82 0.00 0.00 66.70 66.60 3ic8 h VAL 185 Cb 0.14 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 3ic8 h VAL 185 CO -0.01 0.34 0.12 0.00 0.02 0.00 0.00 177.57 178.04 3ic8 h ALA 186 N 0.90 1.30 -0.50 1.67 0.00 -0.84 -2.86 119.26 118.93 3ic8 h ALA 186 Ca 0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3ic8 h ALA 186 Cb 0.47 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3ic8 h ALA 186 CO 0.02 0.49 0.23 1.25 0.00 0.00 0.00 179.25 181.25 3ic8 h HIS 187 N 0.71 0.73 -0.66 0.00 2.76 -1.12 -1.70 115.15 115.86 3ic8 h HIS 187 Ca 0.16 -0.04 -0.07 0.00 -2.20 0.00 0.00 60.37 58.22 3ic8 h HIS 187 Cb 0.26 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 28.97 3ic8 h HIS 187 CO 0.01 0.58 0.15 1.79 -1.30 0.00 0.00 177.93 179.17 3ic8 h THR 188 N 0.67 1.26 -0.47 6.26 1.35 -1.56 -2.56 112.91 117.85 3ic8 h THR 188 Ca 0.17 -0.95 -0.09 0.00 -0.55 0.00 0.00 66.41 65.00 3ic8 h THR 188 Cb 0.13 0.58 -0.02 0.00 -1.73 0.00 0.00 68.15 67.12 3ic8 h THR 188 CO -0.02 0.36 -0.06 -0.07 -0.25 0.00 0.00 175.52 175.48 3ic8 h LEU 189 N 1.00 0.79 -0.78 3.87 3.38 -1.41 -2.87 115.31 119.29 3ic8 h LEU 189 Ca 0.21 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3ic8 h LEU 189 Cb 0.36 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3ic8 h LEU 189 CO 0.00 0.89 0.05 -0.25 0.09 0.00 0.00 178.44 179.23 3ic8 h TRP 190 N 0.74 1.04 -0.86 1.13 7.01 -1.20 -2.54 115.95 121.27 3ic8 h TRP 190 Ca 0.13 -0.15 -0.00 0.00 2.11 0.00 0.00 58.89 60.98 3ic8 h TRP 190 Cb 0.54 -0.28 -0.04 0.00 -2.10 0.00 0.00 29.16 27.27 3ic8 h TRP 190 CO 0.03 0.91 0.52 0.35 -2.79 0.00 0.00 178.44 177.45 3ic8 h PHE 191 N 0.91 1.14 -0.68 2.65 3.04 -1.29 -1.70 116.94 121.00 3ic8 h PHE 191 Ca 0.18 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 62.05 3ic8 h PHE 191 Cb 0.46 -0.37 -0.03 0.00 2.56 0.00 0.00 35.95 38.57 3ic8 h PHE 191 CO 0.03 0.76 0.15 -0.07 -2.02 0.00 0.00 178.31 177.16 3ic8 h LEU 192 N 1.19 1.04 -0.24 0.59 4.07 -1.33 -3.03 115.31 117.60 3ic8 h LEU 192 Ca 0.31 -0.23 0.00 0.00 0.08 0.00 0.00 57.88 58.04 3ic8 h LEU 192 Cb -0.05 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.42 3ic8 h LEU 192 CO -0.06 1.01 0.00 0.29 -1.08 0.00 0.00 178.44 178.60 3ic8 n LYS 193 N -4.23 0.12 0.11 1.13 4.76 -0.69 -3.05 118.16 116.31 3ic8 n LYS 193 Ca 0.05 0.26 0.12 0.00 -2.87 0.00 0.00 58.31 55.87 3ic8 n LYS 193 Cb 0.27 -1.69 0.46 0.00 -1.84 0.00 0.00 35.03 32.23 3ic8 n LYS 193 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3ic8 n GLN 194 N -1.91 0.18 -4.80 1.97 3.00 -0.91 -4.53 117.38 110.38 3ic8 n GLN 194 Ca 0.04 0.35 -0.27 0.00 -0.01 0.00 0.00 57.00 57.12 3ic8 n GLN 194 Cb 0.27 -1.81 -0.17 0.00 0.00 0.00 0.00 30.24 28.53 3ic8 n GLN 194 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 3ic8 s THR 195 N -3.24 1.43 0.40 5.09 -4.23 -1.17 -5.04 115.64 108.89 3ic8 s THR 195 Ca 0.06 -0.67 0.08 0.00 -1.18 0.00 0.00 61.69 59.98 3ic8 s THR 195 Cb 0.10 -1.26 0.21 0.00 1.34 0.00 0.00 72.50 72.89 3ic8 s THR 195 CO 0.42 0.42 1.99 -0.65 -0.54 0.00 0.00 174.62 176.27 3ic8 h PRO 196 N 6.72 0.39 -0.40 3.99 0.11 -1.84 -2.06 132.00 138.91 3ic8 h PRO 196 Ca -0.28 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.72 3ic8 h PRO 196 Cb 1.20 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3ic8 h PRO 196 CO 0.47 0.36 0.02 -0.39 -0.21 0.00 0.00 178.00 178.25 3ic8 h VAL 197 N 0.39 1.21 -0.02 3.15 -1.51 -1.96 -2.91 116.25 114.60 3ic8 h VAL 197 Ca 0.09 -0.84 0.00 0.00 -1.23 0.00 0.00 66.70 64.73 3ic8 h VAL 197 Cb 0.14 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 30.20 3ic8 h VAL 197 CO -0.00 0.29 -0.07 0.35 -1.23 0.00 0.00 177.57 176.90 3ic8 n THR 198 N -4.26 0.00 -0.22 7.19 -2.24 -0.82 -4.36 114.28 109.57 3ic8 n THR 198 Ca 0.02 -0.27 -0.04 0.00 -2.27 0.00 0.00 64.05 61.50 3ic8 n THR 198 Cb 0.25 0.67 0.14 0.00 -2.10 0.00 0.00 70.33 69.30 3ic8 n THR 198 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ic8 h ALA 199 N 4.26 1.17 0.00 6.98 0.00 -1.23 -2.50 119.26 127.93 3ic8 h ALA 199 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3ic8 h ALA 199 Cb 0.59 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3ic8 h ALA 199 CO 0.00 0.60 -0.05 -1.35 0.00 0.00 0.00 179.25 178.45 3ic8 h PRO 200 N 1.00 0.00 -0.47 0.00 0.11 -1.77 0.40 132.00 131.28 3ic8 h PRO 200 Ca 0.23 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.31 3ic8 h PRO 200 Cb 0.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 3ic8 h PRO 200 CO -0.02 0.05 0.17 0.74 -0.21 0.00 0.00 178.00 178.73 3ic8 h PHE 201 N 0.00 0.73 -0.03 0.65 0.04 -1.75 -1.83 116.94 114.74 3ic8 h PHE 201 Ca -0.00 -0.06 -0.03 0.00 2.80 0.00 0.00 57.97 60.68 3ic8 h PHE 201 Cb 0.17 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.10 3ic8 h PHE 201 CO 0.00 0.62 -0.08 0.28 -0.60 0.00 0.00 178.31 178.53 3ic8 h VAL 202 N 0.62 1.46 0.00 -0.55 2.07 -1.40 -3.41 116.25 115.05 3ic8 h VAL 202 Ca 0.15 -1.49 -0.03 0.00 0.82 0.00 0.00 66.70 66.15 3ic8 h VAL 202 Cb 0.22 2.38 -0.00 0.00 -1.52 0.00 0.00 31.29 32.36 3ic8 h VAL 202 CO -0.01 0.40 -0.16 0.44 0.02 0.00 0.00 177.57 178.26 3ic8 h ASP 203 N -0.45 0.00 0.56 0.57 3.32 -0.16 -2.61 116.42 117.66 3ic8 h ASP 203 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ic8 h ASP 203 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.25 3ic8 h ASP 203 CO 0.02 0.16 0.00 0.47 -1.72 0.00 0.00 179.24 178.17 3ic8 n ASP 204 N -4.21 0.15 -4.20 6.45 8.00 -0.70 -4.23 116.55 117.82 3ic8 n ASP 204 Ca -0.02 0.54 -0.38 0.00 0.71 0.00 0.00 54.79 55.63 3ic8 n ASP 204 Cb 0.23 -0.57 -0.11 0.00 -0.02 0.00 0.00 41.12 40.65 3ic8 n ASP 204 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3ic8 s TYR 205 N -3.07 3.42 0.11 1.24 1.51 -0.98 -4.99 117.35 114.58 3ic8 s TYR 205 Ca 0.06 -1.91 -0.18 0.00 -1.01 0.00 0.00 57.07 54.03 3ic8 s TYR 205 Cb 0.10 -2.92 -0.06 0.00 -0.11 0.00 0.00 41.96 38.97 3ic8 s TYR 205 CO 0.30 -0.89 1.65 -1.00 -1.11 0.00 0.00 175.55 174.50 3ic8 h PRO 206 N 8.21 0.41 0.00 -1.71 0.13 -1.85 -2.50 132.00 134.69 3ic8 h PRO 206 Ca -0.19 -0.08 -0.03 0.00 -0.87 0.00 0.00 66.00 64.84 3ic8 h PRO 206 Cb 1.07 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 3ic8 h PRO 206 CO 0.70 0.44 -0.13 0.77 -0.23 0.00 0.00 178.00 179.55 3ic8 h SER 207 N 0.29 0.00 -0.46 1.44 0.02 -1.94 -1.90 113.55 111.01 3ic8 h SER 207 Ca 0.09 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.96 3ic8 h SER 207 Cb 0.19 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 3ic8 h SER 207 CO -0.01 0.13 -0.01 0.58 -1.14 0.00 0.00 176.83 176.39 3ic8 h VAL 208 N 0.00 1.25 -0.73 2.27 2.07 -1.80 -3.19 116.25 116.13 3ic8 h VAL 208 Ca -0.00 -1.06 -0.06 0.00 0.82 0.00 0.00 66.70 66.39 3ic8 h VAL 208 Cb 0.26 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3ic8 h VAL 208 CO 0.02 0.38 0.20 0.28 0.02 0.00 0.00 177.57 178.47 3ic8 h SER 209 N 0.81 1.08 -0.30 0.57 0.02 -1.20 -1.62 113.55 112.90 3ic8 h SER 209 Ca 0.15 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 3ic8 h SER 209 Cb 0.49 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 3ic8 h SER 209 CO 0.02 1.01 0.16 0.58 -1.14 0.00 0.00 176.83 177.47 3ic8 h VAL 210 N 1.09 1.14 -0.65 2.27 2.07 -1.60 -2.59 116.25 117.97 3ic8 h VAL 210 Ca 0.23 -0.37 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 3ic8 h VAL 210 Cb 0.34 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 3ic8 h VAL 210 CO -0.00 0.14 0.21 -0.25 0.02 0.00 0.00 177.57 177.69 3ic8 h TRP 211 N 0.37 1.01 -0.78 1.57 7.01 -1.48 -2.55 115.95 121.11 3ic8 h TRP 211 Ca 0.11 -0.09 -0.04 0.00 2.11 0.00 0.00 58.89 60.98 3ic8 h TRP 211 Cb 0.08 -0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 26.80 3ic8 h TRP 211 CO -0.03 0.80 0.31 1.25 -2.79 0.00 0.00 178.44 177.99 3ic8 h LEU 212 N 0.96 1.07 -0.78 0.65 5.85 -1.04 -2.59 115.31 119.43 3ic8 h LEU 212 Ca 0.21 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 3ic8 h LEU 212 Cb 0.26 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3ic8 h LEU 212 CO -0.01 0.95 0.27 0.44 -0.34 0.00 0.00 178.44 179.75 3ic8 h ASP 213 N 1.12 1.10 -0.78 1.25 3.32 -1.08 -1.61 116.42 119.74 3ic8 h ASP 213 Ca 0.26 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 3ic8 h ASP 213 Cb 0.21 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 3ic8 h ASP 213 CO -0.02 1.00 0.39 0.03 -1.72 0.00 0.00 179.24 178.92 3ic8 h ARG 214 N 1.14 1.12 -0.42 3.56 -0.00 -1.20 -1.59 114.38 116.98 3ic8 h ARG 214 Ca 0.25 -0.15 -0.06 0.00 -0.50 0.00 0.00 59.98 59.52 3ic8 h ARG 214 Cb 0.28 -0.21 -0.02 0.00 0.00 0.00 0.00 29.97 30.02 3ic8 h ARG 214 CO -0.01 0.85 0.02 0.28 0.00 0.00 0.00 179.97 181.11 3ic8 h VAL 215 N 1.10 1.26 0.00 2.04 2.07 -1.08 -2.88 116.25 118.75 3ic8 h VAL 215 Ca 0.27 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.80 3ic8 h VAL 215 Cb 0.09 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3ic8 h VAL 215 CO -0.04 0.34 0.00 0.18 0.02 0.00 0.00 177.57 178.07 3ic8 n LEU 216 N -4.44 0.55 0.26 2.57 7.99 -0.65 -2.69 117.00 120.60 3ic8 n LEU 216 Ca -0.00 0.63 0.11 0.00 -0.01 0.00 0.00 56.01 56.73 3ic8 n LEU 216 Cb 0.28 -0.54 0.71 0.00 -0.11 0.00 0.00 43.42 43.76 3ic8 n LEU 216 CO 0.40 -0.47 1.02 1.23 -1.51 0.00 0.00 177.39 178.06 3ic8 h GLY 217 N 2.52 0.00 2.00 -0.72 0.00 -1.07 -2.28 103.07 103.52 3ic8 h GLY 217 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3ic8 h GLY 217 CO 0.00 0.00 -0.03 0.74 0.00 0.00 0.00 176.54 177.25 3ic8 h PHE 218 N 0.00 0.00 -0.95 5.60 0.04 -1.67 -3.47 116.94 116.48 3ic8 h PHE 218 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3ic8 h PHE 218 Cb 0.17 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.32 3ic8 h PHE 218 CO 0.00 0.03 0.00 0.41 -0.60 0.00 0.00 178.31 178.15 3ic8 n GLY 219 N -0.72 -0.56 1.09 -1.45 0.00 -0.86 -4.15 105.19 98.54 3ic8 n GLY 219 Ca -0.02 -1.06 0.08 0.00 0.00 0.00 0.00 46.02 45.02 3ic8 n GLY 219 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ic8 n HIS 220 N -0.60 1.01 -4.78 1.61 -0.00 -1.26 -3.86 115.22 107.35 3ic8 n HIS 220 Ca 0.00 -0.66 0.00 0.00 -0.00 0.00 0.00 57.72 57.06 3ic8 n HIS 220 Cb 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 29.99 29.79 3ic8 n HIS 220 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3ic8 n GLY 221 N 0.45 2.42 2.95 -1.41 0.00 -1.26 -3.89 105.19 104.45 3ic8 n GLY 221 Ca 0.20 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 3ic8 n GLY 221 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ic8 s SER 222 N -4.00 1.84 0.18 1.61 0.01 -1.17 -4.97 113.70 107.20 3ic8 s SER 222 Ca 0.00 -0.27 0.07 0.00 1.31 0.00 0.00 55.95 57.06 3ic8 s SER 222 Cb 0.00 -0.77 -0.04 0.00 0.21 0.00 0.00 66.02 65.42 3ic8 s SER 222 CO 0.00 -0.05 -0.13 -1.48 0.41 0.00 0.00 173.24 171.98 3ic8 s LEU 223 N 1.20 2.53 0.01 2.44 2.34 -1.26 -1.10 118.68 124.83 3ic8 s LEU 223 Ca -0.05 -0.99 0.03 0.00 0.06 0.00 0.00 54.13 53.18 3ic8 s LEU 223 Cb -0.14 -0.58 -0.01 0.00 -0.56 0.00 0.00 46.19 44.90 3ic8 s LEU 223 CO -0.02 -0.20 -0.08 -0.94 -1.06 0.00 0.00 176.35 174.04 3ic8 s SER 224 N -3.16 0.95 0.70 1.48 1.04 -0.77 -4.96 113.70 108.98 3ic8 s SER 224 Ca 0.19 -0.23 -0.14 0.00 0.48 0.00 0.00 55.95 56.25 3ic8 s SER 224 Cb -0.01 -0.08 0.02 0.00 0.10 0.00 0.00 66.02 66.06 3ic8 s SER 224 CO 0.05 0.04 1.12 -0.62 0.98 0.00 0.00 173.24 174.81 3ic8 s ASP 225 N -0.48 4.83 -0.16 7.02 2.15 -1.26 -1.06 116.67 127.70 3ic8 s ASP 225 Ca 0.01 2.01 -0.15 0.00 0.43 0.00 0.00 52.55 54.85 3ic8 s ASP 225 Cb -0.04 -2.55 0.04 0.00 -0.30 0.00 0.00 42.92 40.07 3ic8 s ASP 225 CO -0.00 -1.82 0.43 -0.22 -0.17 0.00 0.00 175.17 173.39 3ic8 s LEU 226 N -5.15 0.33 0.48 -1.34 2.96 -0.51 -4.66 118.68 110.79 3ic8 s LEU 226 Ca 0.67 0.87 -0.22 0.00 -0.22 0.00 0.00 54.13 55.23 3ic8 s LEU 226 Cb -0.21 1.47 -0.07 0.00 0.50 0.00 0.00 46.19 47.88 3ic8 s LEU 226 CO 0.45 -0.15 1.14 -0.55 -1.32 0.00 0.00 176.35 175.92 3ic8 s SER 227 N 0.29 6.06 0.35 3.68 0.15 -1.26 -4.36 113.70 118.61 3ic8 s SER 227 Ca -0.00 2.23 0.03 0.00 0.70 0.00 0.00 55.95 58.91 3ic8 s SER 227 Cb -0.03 -2.59 0.65 0.00 -1.71 0.00 0.00 66.02 62.33 3ic8 s SER 227 CO -0.00 -0.99 1.99 -1.28 1.20 0.00 0.00 173.24 174.16 3ic8 h SER 228 N 1.78 0.74 -0.53 5.45 0.87 -1.96 -1.03 113.55 118.86 3ic8 h SER 228 Ca -0.50 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.02 3ic8 h SER 228 Cb 1.25 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 63.01 3ic8 h SER 228 CO 0.59 0.52 0.21 0.00 -0.53 0.00 0.00 176.83 177.62 3ic8 h ALA 229 N 1.59 0.69 -0.77 6.23 0.00 -1.94 -2.93 119.26 122.13 3ic8 h ALA 229 Ca 0.27 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3ic8 h ALA 229 Cb 0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3ic8 h ALA 229 CO -0.07 0.30 0.32 0.00 0.00 0.00 0.00 179.25 179.80 3ic8 h ALA 230 N 1.06 0.99 -0.66 0.00 0.00 -1.55 -2.81 119.26 116.30 3ic8 h ALA 230 Ca 0.18 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3ic8 h ALA 230 Cb 0.20 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3ic8 h ALA 230 CO -0.01 0.61 0.27 0.00 0.00 0.00 0.00 179.25 180.11 3ic8 h ALA 231 N 1.16 1.23 -0.64 0.00 0.00 -1.26 -0.70 119.26 119.05 3ic8 h ALA 231 Ca 0.26 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3ic8 h ALA 231 Cb 0.20 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3ic8 h ALA 231 CO -0.02 0.56 0.23 0.82 0.00 0.00 0.00 179.25 180.84 3ic8 h ILE 232 N 0.94 1.23 -0.70 0.00 5.03 -1.43 -2.47 117.51 120.12 3ic8 h ILE 232 Ca 0.22 -0.75 -0.05 0.00 -0.12 0.00 0.00 64.86 64.16 3ic8 h ILE 232 Cb 0.18 0.49 -0.03 0.00 -3.03 0.00 0.00 36.82 34.43 3ic8 h ILE 232 CO -0.02 0.30 0.25 -0.33 -0.68 0.00 0.00 178.15 177.67 3ic8 h GLU 233 N 0.93 1.04 -0.43 2.37 4.39 -1.11 -0.52 114.58 121.25 3ic8 h GLU 233 Ca 0.21 -0.19 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 3ic8 h GLU 233 Cb 0.22 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 3ic8 h GLU 233 CO -0.01 0.86 0.12 0.82 -1.16 0.00 0.00 179.01 179.63 3ic8 h ILE 234 N 1.01 1.19 0.23 3.13 2.04 -1.09 0.65 117.51 124.67 3ic8 h ILE 234 Ca 0.23 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 3ic8 h ILE 234 Cb 0.23 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 3ic8 h ILE 234 CO -0.02 0.24 -0.11 0.00 0.00 0.00 0.00 178.15 178.26 3ic8 h ALA 235 N 1.51 -0.31 -0.74 1.87 0.00 -0.70 -0.08 119.26 120.82 3ic8 h ALA 235 Ca 0.14 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3ic8 h ALA 235 Cb 0.21 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3ic8 h ALA 235 CO -0.01 -0.50 0.31 0.66 0.00 0.00 0.00 179.25 179.72 3ic8 h SER 236 N -0.65 1.00 -0.39 0.00 4.64 -0.21 -3.24 113.55 114.69 3ic8 h SER 236 Ca -0.03 -0.14 -0.07 0.00 -0.47 0.00 0.00 61.79 61.08 3ic8 h SER 236 Cb 0.46 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 3ic8 h SER 236 CO 0.05 0.87 -0.03 0.78 -0.87 0.00 0.00 176.83 177.64 3ic8 h ASN 237 N 1.07 0.70 -4.02 4.97 -0.26 0.31 -3.46 115.58 114.88 3ic8 h ASN 237 Ca 0.25 -0.33 -0.47 0.00 -0.56 0.00 0.00 56.30 55.19 3ic8 h ASN 237 Cb 0.18 -0.19 0.08 0.00 -1.06 0.00 0.00 38.32 37.32 3ic8 h ASN 237 CO -0.02 0.86 0.28 0.00 -1.06 0.00 0.00 177.43 177.49 3ic8 s ALA 238 N -4.93 3.06 0.08 -0.83 0.00 -0.04 -5.05 121.76 114.04 3ic8 s ALA 238 Ca -0.13 -0.69 0.09 0.00 0.00 0.00 0.00 51.96 51.23 3ic8 s ALA 238 Cb 0.10 -2.75 -0.03 0.00 0.00 0.00 0.00 23.12 20.43 3ic8 s ALA 238 CO 0.80 -1.19 -0.24 0.95 0.00 0.00 0.00 175.76 176.08 3ic8 s THR 239 N -3.25 2.42 0.59 0.00 -4.23 -1.26 -4.73 115.64 105.18 3ic8 s THR 239 Ca 0.58 -1.48 -0.19 0.00 -1.18 0.00 0.00 61.69 59.42 3ic8 s THR 239 Cb -0.11 -2.02 -0.04 0.00 1.34 0.00 0.00 72.50 71.67 3ic8 s THR 239 CO 0.47 0.24 1.22 -2.84 -0.54 0.00 0.00 174.62 173.17 3ic8 s PRO 240 N -1.67 2.96 1.01 3.99 0.02 -1.26 -4.44 135.00 135.61 3ic8 s PRO 240 Ca 0.14 1.87 -0.12 0.00 0.02 0.00 0.00 61.00 62.91 3ic8 s PRO 240 Cb -0.10 -1.95 0.20 0.00 0.02 0.00 0.00 34.50 32.66 3ic8 s PRO 240 CO 0.05 -1.23 1.08 0.00 -0.33 0.00 0.00 177.00 176.58 3ic8 s ALA 241 N -1.55 0.77 0.45 -1.55 0.00 -1.26 -4.95 121.76 113.67 3ic8 s ALA 241 Ca 0.77 -0.21 -0.23 0.00 0.00 0.00 0.00 51.96 52.29 3ic8 s ALA 241 Cb -0.32 -3.17 -0.08 0.00 0.00 0.00 0.00 23.12 19.55 3ic8 s ALA 241 CO 0.34 -2.96 1.16 -1.25 0.00 0.00 0.00 175.76 173.05 3ic8 s PRO 242 N -4.83 3.81 0.50 0.00 0.04 -1.26 -4.97 135.00 128.28 3ic8 s PRO 242 Ca 0.66 1.76 -0.23 0.00 0.04 0.00 0.00 61.00 63.23 3ic8 s PRO 242 Cb -0.20 -2.44 -0.06 0.00 0.04 0.00 0.00 34.50 31.84 3ic8 s PRO 242 CO 0.59 -0.51 1.32 -0.51 0.04 0.00 0.00 177.00 177.93 3ic8 s LEU 243 N -2.96 3.97 0.61 -3.56 1.43 -1.26 -4.97 118.68 111.94 3ic8 s LEU 243 Ca 0.63 2.67 -0.16 0.00 -1.03 0.00 0.00 54.13 56.24 3ic8 s LEU 243 Cb -0.28 -4.17 -0.02 0.00 0.03 0.00 0.00 46.19 41.74 3ic8 s LEU 243 CO 0.35 -1.29 1.09 -2.16 0.23 0.00 0.00 176.35 174.57 3ic8 s PRO 244 N -2.72 3.10 -0.26 1.29 0.04 -1.26 -5.02 135.00 130.17 3ic8 s PRO 244 Ca 0.67 1.35 0.02 0.00 0.04 0.00 0.00 61.00 63.08 3ic8 s PRO 244 Cb -0.38 -1.99 0.07 0.00 0.04 0.00 0.00 34.50 32.23 3ic8 s PRO 244 CO 0.46 -1.01 -0.06 0.16 0.04 0.00 0.00 177.00 176.59 3ic8 s ASP 245 N -2.53 4.28 0.05 6.66 3.84 -1.26 -5.05 116.67 122.66 3ic8 s ASP 245 Ca 0.66 -1.45 -0.04 0.00 -0.00 0.00 0.00 52.55 51.73 3ic8 s ASP 245 Cb -0.19 -1.41 -0.02 0.00 -1.38 0.00 0.00 42.92 39.91 3ic8 s ASP 245 CO 0.37 -0.24 0.05 -1.83 -0.00 0.00 0.00 175.17 173.52 3ic8 s GLU 246 N 1.19 0.62 -0.16 2.11 -1.05 -1.26 -5.15 118.70 115.00 3ic8 s GLU 246 Ca -0.04 -0.96 -0.05 0.00 -0.15 0.00 0.00 54.97 53.77 3ic8 s GLU 246 Cb -0.19 0.23 -0.03 0.00 -0.44 0.00 0.00 34.13 33.69 3ic8 s GLU 246 CO -0.07 -0.15 0.01 0.95 0.95 0.00 0.00 175.26 176.96 3ic8 s THR 247 N -3.24 4.36 -0.04 1.83 -4.23 -1.26 -5.02 115.64 108.05 3ic8 s THR 247 Ca 0.00 -0.19 0.02 0.00 -1.18 0.00 0.00 61.69 60.34 3ic8 s THR 247 Cb 0.03 -2.94 0.01 0.00 1.34 0.00 0.00 72.50 70.94 3ic8 s THR 247 CO -0.07 0.48 -0.08 0.12 -0.54 0.00 0.00 174.62 174.53 3ic8 s PHE 248 N 0.29 0.97 -0.66 3.99 5.36 -1.26 -5.02 117.98 121.65 3ic8 s PHE 248 Ca 0.00 -0.27 -0.20 0.00 -0.96 0.00 0.00 56.93 55.50 3ic8 s PHE 248 Cb -0.13 -0.73 0.10 0.00 -0.34 0.00 0.00 43.02 41.92 3ic8 s PHE 248 CO 0.02 -0.15 0.84 0.42 -1.46 0.00 0.00 175.22 174.88 3ic8 s ILE 249 N 0.45 4.68 0.24 3.12 1.01 -1.26 -4.99 121.20 124.44 3ic8 s ILE 249 Ca -0.07 -0.91 -0.31 0.00 0.00 0.00 0.00 60.65 59.36 3ic8 s ILE 249 Cb -0.11 -4.59 -0.11 0.00 0.01 0.00 0.00 42.46 37.66 3ic8 s ILE 249 CO 0.01 -1.27 1.59 -0.62 0.00 0.00 0.00 174.94 174.65 3ic8 s ASP 250 N 3.60 6.47 0.58 3.58 2.15 -1.26 -4.79 116.67 126.99 3ic8 s ASP 250 Ca 0.17 2.81 0.34 0.00 0.43 0.00 0.00 52.55 56.30 3ic8 s ASP 250 Cb -0.19 -2.62 1.74 0.00 -0.30 0.00 0.00 42.92 41.56 3ic8 s ASP 250 CO 0.05 -0.87 2.15 -0.65 -0.17 0.00 0.00 175.17 175.68 3ic8 h PRO 251 N 5.78 0.00 -0.31 4.34 0.11 -1.94 -1.31 132.00 138.67 3ic8 h PRO 251 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3ic8 h PRO 251 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3ic8 h PRO 251 CO 0.86 0.05 0.00 0.09 -0.21 0.00 0.00 178.00 178.79 3ic8 n ASN 252 N -3.38 4.03 -3.43 -2.05 4.13 -1.26 -4.97 115.26 108.33 3ic8 n ASN 252 Ca -0.02 -2.91 -0.18 0.00 1.68 0.00 0.00 54.58 53.15 3ic8 n ASN 252 Cb 0.19 -0.54 0.07 0.00 -1.54 0.00 0.00 39.78 37.97 3ic8 n ASN 252 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ic8 n GLY 253 N -0.27 -0.70 3.32 7.41 0.00 -0.49 -5.00 105.19 109.46 3ic8 n GLY 253 Ca 0.21 0.31 -0.33 0.00 0.00 0.00 0.00 46.02 46.21 3ic8 n GLY 253 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ic8 s PHE 254 N -3.43 2.83 0.07 1.61 0.40 -1.26 -5.05 117.98 113.15 3ic8 s PHE 254 Ca 0.21 -0.83 0.00 0.00 -0.60 0.00 0.00 56.93 55.71 3ic8 s PHE 254 Cb -0.04 -1.90 -0.04 0.00 0.51 0.00 0.00 43.02 41.56 3ic8 s PHE 254 CO 0.76 -0.36 -0.05 -1.59 0.70 0.00 0.00 175.22 174.68 3ic8 s LYS 255 N 0.69 0.67 0.45 0.44 -2.85 -1.26 -4.53 119.74 113.35 3ic8 s LYS 255 Ca -0.06 -1.19 -0.25 0.00 -1.00 0.00 0.00 55.97 53.47 3ic8 s LYS 255 Cb -0.15 0.01 -0.09 0.00 -2.06 0.00 0.00 37.83 35.54 3ic8 s LYS 255 CO 0.02 -0.06 1.37 0.00 0.10 0.00 0.00 175.35 176.78 3ic8 n ALA 256 N 0.25 1.74 -0.28 0.59 0.00 -1.26 -2.33 120.51 119.22 3ic8 n ALA 256 Ca -0.15 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3ic8 n ALA 256 Cb 0.60 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.71 3ic8 n ALA 256 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ic8 n GLY 257 N 0.68 1.12 3.82 0.00 0.00 0.00 -4.99 105.19 105.81 3ic8 n GLY 257 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 3ic8 n GLY 257 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ic8 s ASP 258 N -3.02 6.12 -0.28 1.61 1.11 -0.99 -4.86 116.67 116.38 3ic8 s ASP 258 Ca 0.00 1.74 -0.11 0.00 0.18 0.00 0.00 52.55 54.35 3ic8 s ASP 258 Cb 0.00 -2.53 -0.05 0.00 1.07 0.00 0.00 42.92 41.41 3ic8 s ASP 258 CO 0.00 -0.93 0.20 -1.59 1.18 0.00 0.00 175.17 174.03 3ic8 s LYS 259 N -4.01 3.96 0.10 8.23 -2.85 -1.26 -1.76 119.74 122.14 3ic8 s LYS 259 Ca 0.62 -0.29 0.03 0.00 -1.00 0.00 0.00 55.97 55.33 3ic8 s LYS 259 Cb -0.14 -3.65 -0.04 0.00 -2.06 0.00 0.00 37.83 31.94 3ic8 s LYS 259 CO 0.34 -0.17 -0.09 0.14 0.10 0.00 0.00 175.35 175.67 3ic8 s VAL 260 N 1.74 0.85 -0.14 1.79 -7.23 -0.71 -4.48 120.40 112.21 3ic8 s VAL 260 Ca 0.08 -1.72 -0.01 0.00 -1.81 0.00 0.00 61.98 58.51 3ic8 s VAL 260 Cb -0.16 -1.44 -0.02 0.00 0.56 0.00 0.00 36.38 35.32 3ic8 s VAL 260 CO 0.10 -0.66 -0.10 0.00 -0.31 0.00 0.00 175.10 174.13 3ic8 s ALA 261 N -2.80 2.72 -0.22 1.32 0.00 -0.80 -1.68 121.76 120.29 3ic8 s ALA 261 Ca 0.07 -0.89 -0.05 0.00 0.00 0.00 0.00 51.96 51.09 3ic8 s ALA 261 Cb -0.00 -1.33 -0.01 0.00 0.00 0.00 0.00 23.12 21.77 3ic8 s ALA 261 CO -0.01 0.19 -0.01 0.42 0.00 0.00 0.00 175.76 176.34 3ic8 s ILE 262 N 0.44 3.64 0.02 0.00 1.01 -0.32 -1.85 121.20 124.14 3ic8 s ILE 262 Ca -0.08 -0.40 0.07 0.00 0.00 0.00 0.00 60.65 60.24 3ic8 s ILE 262 Cb -0.15 -2.67 -0.02 0.00 0.01 0.00 0.00 42.46 39.63 3ic8 s ILE 262 CO 0.04 0.41 -0.21 0.00 0.00 0.00 0.00 174.94 175.18 3ic8 s ALA 263 N 1.45 1.78 0.14 9.38 0.00 -0.65 -1.37 121.76 132.49 3ic8 s ALA 263 Ca 0.05 -1.00 -0.31 0.00 0.00 0.00 0.00 51.96 50.70 3ic8 s ALA 263 Cb -0.14 -0.40 -0.09 0.00 0.00 0.00 0.00 23.12 22.49 3ic8 s ALA 263 CO -0.01 0.42 1.42 0.00 0.00 0.00 0.00 175.76 177.59 3ic8 s ALA 264 N -0.66 3.62 0.04 0.00 0.00 -1.26 -0.20 121.76 123.30 3ic8 s ALA 264 Ca 0.08 1.18 -0.24 0.00 0.00 0.00 0.00 51.96 52.98 3ic8 s ALA 264 Cb -0.09 -3.55 -0.16 0.00 0.00 0.00 0.00 23.12 19.32 3ic8 s ALA 264 CO 0.01 -0.64 1.53 0.28 0.00 0.00 0.00 175.76 176.93 3ic8 h VAL 265 N 4.11 1.18 -0.02 0.00 2.07 -1.13 -2.30 116.25 120.15 3ic8 h VAL 265 Ca -0.43 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.54 3ic8 h VAL 265 Cb 1.21 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 3ic8 h VAL 265 CO 0.86 0.14 -0.05 0.44 0.02 0.00 0.00 177.57 178.99 3ic8 h ASP 266 N -0.18 0.08 0.00 0.57 3.32 -1.93 -3.39 116.42 114.90 3ic8 h ASP 266 Ca 0.01 -0.57 -0.00 0.00 0.02 0.00 0.00 57.03 56.49 3ic8 h ASP 266 Cb 0.23 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 3ic8 h ASP 266 CO -0.00 0.63 -0.20 -1.22 -1.72 0.00 0.00 179.24 176.74 3ic8 n TYR 267 N -4.75 0.00 -1.96 4.55 4.01 -1.26 -5.05 117.16 112.71 3ic8 n TYR 267 Ca -0.08 -1.19 -0.37 0.00 -0.16 0.00 0.00 57.90 56.09 3ic8 n TYR 267 Cb 0.32 -0.19 0.03 0.00 -0.31 0.00 0.00 39.34 39.18 3ic8 n TYR 267 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3ic8 s GLY 268 N -3.01 2.83 -0.11 2.72 0.00 -0.86 -4.98 107.32 103.91 3ic8 s GLY 268 Ca 0.34 1.16 0.06 0.00 0.00 0.00 0.00 44.72 46.28 3ic8 s GLY 268 CO -0.01 1.63 -0.02 3.33 0.00 0.00 0.00 173.10 178.03 3ic8 n VAL 269 N -1.01 0.69 0.00 1.40 0.24 -1.26 -4.98 118.33 113.41 3ic8 n VAL 269 Ca 0.10 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 3ic8 n VAL 269 Cb 0.47 -0.81 0.00 0.00 -1.47 0.00 0.00 33.84 32.02 3ic8 n VAL 269 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ic8 n ALA 271 N -2.55 0.00 -4.05 2.33 0.00 -1.26 -5.08 120.51 109.90 3ic8 n ALA 271 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 52.94 3ic8 n ALA 271 Cb 0.79 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 20.09 3ic8 n ALA 271 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ic8 s VAL 272 N -2.00 2.03 0.56 0.00 1.01 -0.47 -4.77 120.40 116.76 3ic8 s VAL 272 Ca 0.00 -1.44 -0.17 0.00 0.00 0.00 0.00 61.98 60.37 3ic8 s VAL 272 Cb 0.00 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 3ic8 s VAL 272 CO 0.00 0.06 1.05 -1.83 0.00 0.00 0.00 175.10 174.38 3ic8 s GLU 273 N 1.19 3.46 0.00 2.72 1.03 -1.26 -1.17 118.70 124.67 3ic8 s GLU 273 Ca -0.06 1.23 0.00 0.00 0.03 0.00 0.00 54.97 56.17 3ic8 s GLU 273 Cb -0.19 -2.05 0.00 0.00 -0.80 0.00 0.00 34.13 31.09 3ic8 s GLU 273 CO -0.06 -0.70 0.00 0.41 -1.33 0.00 0.00 175.26 173.58 3ic8 n GLY 274 N -0.83 -1.36 3.21 -3.83 0.00 -0.68 -4.81 105.19 96.89 3ic8 n GLY 274 Ca 0.09 -1.06 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 3ic8 n GLY 274 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3ic8 s GLU 275 N -1.21 2.79 0.90 1.61 1.03 -0.68 -1.75 118.70 121.40 3ic8 s GLU 275 Ca 0.00 -0.84 -0.12 0.00 0.03 0.00 0.00 54.97 54.04 3ic8 s GLU 275 Cb 0.00 -2.17 0.13 0.00 -0.80 0.00 0.00 34.13 31.29 3ic8 s GLU 275 CO 0.00 0.21 1.11 -1.17 -1.33 0.00 0.00 175.26 174.08 3ic8 s LEU 276 N 0.25 2.09 0.36 1.83 0.20 -0.72 -2.02 118.68 120.66 3ic8 s LEU 276 Ca -0.15 1.20 -0.28 0.00 0.69 0.00 0.00 54.13 55.59 3ic8 s LEU 276 Cb -0.17 -3.58 -0.10 0.00 -0.43 0.00 0.00 46.19 41.92 3ic8 s LEU 276 CO 0.07 -2.58 1.35 0.12 -0.29 0.00 0.00 176.35 175.02 3ic8 s PHE 278 N -3.10 2.89 -0.11 5.38 5.36 -1.14 -0.82 117.98 126.43 3ic8 s PHE 278 Ca 0.63 1.36 0.01 0.00 -0.96 0.00 0.00 56.93 57.97 3ic8 s PHE 278 Cb -0.16 -3.76 0.02 0.00 -0.34 0.00 0.00 43.02 38.78 3ic8 s PHE 278 CO 0.55 -2.18 -0.13 -0.08 -1.46 0.00 0.00 175.22 171.93 3ic8 s THR 279 N -1.16 1.35 0.29 0.12 -1.32 -1.26 -1.25 115.64 112.41 3ic8 s THR 279 Ca 0.52 -0.53 0.02 0.00 -1.21 0.00 0.00 61.69 60.48 3ic8 s THR 279 Cb -0.41 -1.26 -0.02 0.00 -1.51 0.00 0.00 72.50 69.29 3ic8 s THR 279 CO 0.55 0.41 0.29 -0.83 -2.21 0.00 0.00 174.62 172.83 3ic8 s GLY 280 N 1.21 1.80 0.12 6.08 0.00 -0.69 -4.53 107.32 111.32 3ic8 s GLY 280 Ca -0.03 -1.78 -0.17 0.00 0.00 0.00 0.00 44.72 42.74 3ic8 s GLY 280 CO -0.04 -1.30 1.64 3.21 0.00 0.00 0.00 173.10 176.60 3ic8 h ARG 281 N 2.27 0.55 0.00 2.90 3.08 -1.98 -3.31 114.38 117.88 3ic8 h ARG 281 Ca -0.29 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.64 3ic8 h ARG 281 Cb 1.24 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.21 3ic8 h ARG 281 CO 0.41 0.57 -1.12 0.39 -1.07 0.00 0.00 179.97 179.16 3ic8 n GLU 282 N -4.65 0.98 -3.94 0.04 -0.58 -1.26 -4.76 120.64 106.48 3ic8 n GLU 282 Ca -0.01 -0.05 -0.09 0.00 -0.42 0.00 0.00 57.16 56.59 3ic8 n GLU 282 Cb 0.17 -1.36 -0.09 0.00 -0.57 0.00 0.00 31.44 29.59 3ic8 n GLU 282 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3ic8 s GLU 283 N -2.84 0.59 0.03 3.49 2.12 -1.25 -3.66 118.70 117.18 3ic8 s GLU 283 Ca 0.03 -0.79 0.04 0.00 0.36 0.00 0.00 54.97 54.61 3ic8 s GLU 283 Cb 0.13 0.23 -0.02 0.00 0.26 0.00 0.00 34.13 34.73 3ic8 s GLU 283 CO 0.74 -0.15 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.69 3ic8 s LEU 284 N -2.18 2.14 -0.05 2.70 1.02 0.82 -1.71 118.68 121.43 3ic8 s LEU 284 Ca -0.04 -0.39 0.03 0.00 0.02 0.00 0.00 54.13 53.76 3ic8 s LEU 284 Cb -0.01 -0.46 0.00 0.00 0.02 0.00 0.00 46.19 45.75 3ic8 s LEU 284 CO -0.05 0.00 -0.15 -0.63 0.02 0.00 0.00 176.35 175.55 3ic8 s ILE 285 N -0.77 1.25 -0.02 -0.59 1.01 -0.38 -1.48 121.20 120.23 3ic8 s ILE 285 Ca -0.00 -0.60 0.08 0.00 0.00 0.00 0.00 60.65 60.13 3ic8 s ILE 285 Cb -0.07 -1.09 -0.02 0.00 0.01 0.00 0.00 42.46 41.29 3ic8 s ILE 285 CO 0.01 0.37 -0.26 -0.22 0.00 0.00 0.00 174.94 174.84 3ic8 s LEU 286 N 0.21 2.06 -0.10 2.97 1.98 -0.06 -2.89 118.68 122.84 3ic8 s LEU 286 Ca -0.06 -0.47 -0.00 0.00 -2.89 0.00 0.00 54.13 50.70 3ic8 s LEU 286 Cb -0.12 -1.32 -0.03 0.00 0.66 0.00 0.00 46.19 45.38 3ic8 s LEU 286 CO 0.02 0.31 -0.08 -0.13 -1.89 0.00 0.00 176.35 174.59 3ic8 s ARG 287 N -0.65 3.09 0.04 1.98 0.52 -0.86 0.11 118.95 123.18 3ic8 s ARG 287 Ca 0.10 -0.57 -0.03 0.00 -0.52 0.00 0.00 55.73 54.71 3ic8 s ARG 287 Cb -0.10 -2.67 -0.02 0.00 0.52 0.00 0.00 34.95 32.68 3ic8 s ARG 287 CO -0.01 0.47 0.03 -0.98 0.02 0.00 0.00 175.30 174.83 3ic8 s ARG 288 N -0.30 0.55 -0.25 3.54 1.70 -0.67 -1.69 118.95 121.83 3ic8 s ARG 288 Ca 0.04 -0.91 -0.07 0.00 -0.47 0.00 0.00 55.73 54.31 3ic8 s ARG 288 Cb -0.13 0.20 -0.02 0.00 -0.57 0.00 0.00 34.95 34.43 3ic8 s ARG 288 CO 0.02 -0.12 0.07 -1.21 -1.08 0.00 0.00 175.30 172.99 3ic8 s GLU 289 N -2.94 3.60 -0.11 3.89 8.01 -1.26 -2.07 118.70 127.82 3ic8 s GLU 289 Ca -0.02 -0.51 0.02 0.00 0.01 0.00 0.00 54.97 54.46 3ic8 s GLU 289 Cb 0.01 -3.33 -0.01 0.00 -4.31 0.00 0.00 34.13 26.49 3ic8 s GLU 289 CO -0.06 -0.21 -0.18 0.34 0.01 0.00 0.00 175.26 175.16 3ic8 s ASP 290 N 1.61 3.62 0.09 -0.19 2.15 0.89 -4.92 116.67 119.91 3ic8 s ASP 290 Ca 0.06 -0.42 -0.21 0.00 0.43 0.00 0.00 52.55 52.41 3ic8 s ASP 290 Cb -0.15 -1.49 -0.11 0.00 -0.30 0.00 0.00 42.92 40.87 3ic8 s ASP 290 CO 0.03 0.17 1.67 0.78 -0.17 0.00 0.00 175.17 177.66 3ic8 h ASN 291 N 6.65 0.17 -0.27 -0.34 4.21 -1.93 9.63 115.58 133.70 3ic8 h ASN 291 Ca -0.24 -0.11 -0.09 0.00 1.21 0.00 0.00 56.30 57.08 3ic8 h ASN 291 Cb 1.22 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 38.37 3ic8 h ASN 291 CO 0.52 0.23 -0.16 0.03 -1.29 0.00 0.00 177.43 176.76 3ic8 h ARG 292 N 0.11 0.59 -0.00 0.81 3.08 -1.96 -3.36 114.38 113.64 3ic8 h ARG 292 Ca 0.05 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.83 3ic8 h ARG 292 Cb 0.10 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3ic8 h ARG 292 CO -0.01 0.85 -0.78 0.00 -1.07 0.00 0.00 179.97 178.97 3ic8 n ALA 293 N -2.44 4.25 -0.75 0.04 0.00 -0.88 -4.63 120.51 116.09 3ic8 n ALA 293 Ca -0.04 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.82 3ic8 n ALA 293 Cb 0.38 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.01 3ic8 n ALA 293 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ic8 n GLY 294 N 1.47 3.11 3.60 0.00 0.00 3.05 -1.13 105.19 115.28 3ic8 n GLY 294 Ca 0.06 -0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 3ic8 n GLY 294 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ic8 s VAL 295 N 0.00 5.10 0.14 1.61 1.01 -1.26 0.30 120.40 127.30 3ic8 s VAL 295 Ca 0.00 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.08 3ic8 s VAL 295 Cb 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 3ic8 s VAL 295 CO 0.00 0.32 0.00 0.68 0.00 0.00 0.00 175.10 176.11 3ic8 s VAL 296 N 1.32 0.48 -0.16 2.92 -7.23 -0.88 -4.79 120.40 112.07 3ic8 s VAL 296 Ca 0.07 -1.94 -0.01 0.00 -1.81 0.00 0.00 61.98 58.29 3ic8 s VAL 296 Cb -0.15 -1.98 -0.01 0.00 0.56 0.00 0.00 36.38 34.81 3ic8 s VAL 296 CO 0.06 -0.58 -0.11 -1.00 -0.31 0.00 0.00 175.10 173.16 3ic8 s HIS 297 N -3.78 2.85 -0.14 2.82 3.76 -0.71 -1.67 115.29 118.41 3ic8 s HIS 297 Ca 0.20 -0.78 -0.04 0.00 -0.15 0.00 0.00 55.06 54.30 3ic8 s HIS 297 Cb 0.06 -1.91 -0.03 0.00 1.11 0.00 0.00 32.58 31.81 3ic8 s HIS 297 CO 0.01 -0.33 -0.01 0.08 -0.85 0.00 0.00 174.74 173.64 3ic8 s VAL 298 N 0.69 4.18 -0.21 -0.90 1.01 0.29 -1.26 120.40 124.21 3ic8 s VAL 298 Ca -0.06 -0.26 -0.06 0.00 0.00 0.00 0.00 61.98 61.60 3ic8 s VAL 298 Cb -0.15 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 3ic8 s VAL 298 CO 0.02 0.52 0.03 -1.00 0.00 0.00 0.00 175.10 174.67 3ic8 s HIS 299 N 0.01 3.09 0.00 5.22 3.76 0.21 -0.88 115.29 126.70 3ic8 s HIS 299 Ca 0.02 -0.33 0.07 0.00 -0.15 0.00 0.00 55.06 54.67 3ic8 s HIS 299 Cb -0.13 -2.12 -0.02 0.00 1.11 0.00 0.00 32.58 31.42 3ic8 s HIS 299 CO 0.02 -0.18 -0.23 -0.06 -0.85 0.00 0.00 174.74 173.44 3ic8 s PHE 300 N 1.00 2.02 0.69 1.40 0.08 -0.55 -1.78 117.98 120.85 3ic8 s PHE 300 Ca 0.03 -0.38 -0.13 0.00 0.12 0.00 0.00 56.93 56.56 3ic8 s PHE 300 Cb -0.14 -1.27 0.01 0.00 -0.57 0.00 0.00 43.02 41.05 3ic8 s PHE 300 CO 0.02 0.01 1.09 -1.25 -0.10 0.00 0.00 175.22 174.99 3ic8 s PRO 301 N -0.73 2.73 0.15 0.24 0.04 -1.26 -0.13 135.00 136.04 3ic8 s PRO 301 Ca 0.09 1.21 -0.13 0.00 0.04 0.00 0.00 61.00 62.21 3ic8 s PRO 301 Cb -0.09 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.53 3ic8 s PRO 301 CO -0.00 -1.28 1.64 0.00 0.04 0.00 0.00 177.00 177.40 3ic8 h ARG 302 N -0.41 0.82 -6.63 4.56 3.08 -1.86 -3.40 114.38 110.54 3ic8 h ARG 302 Ca -0.45 -0.21 -0.53 0.00 0.07 0.00 0.00 59.98 58.86 3ic8 h ARG 302 Cb 1.23 -0.10 0.03 0.00 0.08 0.00 0.00 29.97 31.21 3ic8 h ARG 302 CO 0.54 0.81 0.71 -0.51 -1.07 0.00 0.00 179.97 180.45 3ic8 s LEU 303 N -9.54 4.39 0.00 3.04 1.43 -1.26 -3.35 118.68 113.39 3ic8 s LEU 303 Ca -0.13 2.42 0.00 0.00 -1.03 0.00 0.00 54.13 55.40 3ic8 s LEU 303 Cb 0.12 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.73 3ic8 s LEU 303 CO 0.80 -0.62 0.00 0.61 0.23 0.00 0.00 176.35 177.37 3ic8 n GLY 304 N 2.86 0.84 3.15 -3.19 0.00 -1.26 -5.02 105.19 102.57 3ic8 n GLY 304 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 3ic8 n GLY 304 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ic8 s PHE 305 N -3.28 1.75 -0.08 1.61 0.08 -1.21 -0.51 117.98 116.34 3ic8 s PHE 305 Ca 0.00 -0.49 -0.02 0.00 0.12 0.00 0.00 56.93 56.54 3ic8 s PHE 305 Cb 0.00 -1.17 -0.03 0.00 -0.57 0.00 0.00 43.02 41.24 3ic8 s PHE 305 CO 0.00 -0.15 0.02 0.50 -0.10 0.00 0.00 175.22 175.49 3ic8 s ARG 306 N -0.03 3.02 -0.02 0.44 3.52 0.72 -4.88 118.95 121.71 3ic8 s ARG 306 Ca -0.03 -0.40 0.04 0.00 -0.13 0.00 0.00 55.73 55.22 3ic8 s ARG 306 Cb -0.11 -2.83 -0.03 0.00 -1.56 0.00 0.00 34.95 30.42 3ic8 s ARG 306 CO 0.02 0.70 -0.14 0.08 -0.81 0.00 0.00 175.30 175.15 3ic8 s VAL 307 N -0.93 3.07 0.07 7.11 1.01 -1.26 -1.63 120.40 127.84 3ic8 s VAL 307 Ca 0.14 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.30 3ic8 s VAL 307 Cb -0.11 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 3ic8 s VAL 307 CO 0.03 0.51 -0.06 -1.83 0.00 0.00 0.00 175.10 173.75 3ic8 s GLU 308 N -0.98 0.68 0.00 2.72 -1.05 -0.77 -4.98 118.70 114.32 3ic8 s GLU 308 Ca 0.13 -1.10 0.24 0.00 -0.15 0.00 0.00 54.97 54.09 3ic8 s GLU 308 Cb -0.11 -0.15 0.27 0.00 -0.44 0.00 0.00 34.13 33.71 3ic8 s GLU 308 CO 0.02 -0.01 1.31 1.63 0.95 0.00 0.00 175.26 179.16