#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ic8 s GLU 3 N 0.00 3.59 -0.24 4.33 2.02 -1.26 -5.00 118.70 122.14 3ic8 s GLU 3 Ca 0.00 0.93 -0.16 0.00 0.02 0.00 0.00 54.97 55.76 3ic8 s GLU 3 Cb 0.00 -2.08 -0.04 0.00 0.10 0.00 0.00 34.13 32.11 3ic8 s GLU 3 CO 0.00 -0.57 0.41 -0.51 0.02 0.00 0.00 175.26 174.61 3ic8 s LEU 4 N -4.71 4.08 -0.14 1.80 1.02 -1.26 -4.44 118.68 115.03 3ic8 s LEU 4 Ca 0.58 0.41 0.02 0.00 0.02 0.00 0.00 54.13 55.16 3ic8 s LEU 4 Cb -0.12 -2.50 0.02 0.00 0.02 0.00 0.00 46.19 43.61 3ic8 s LEU 4 CO 0.43 -0.16 -0.18 -0.63 0.02 0.00 0.00 176.35 175.83 3ic8 s ILE 5 N 1.84 1.79 -0.17 -0.59 1.01 -0.36 -0.27 121.20 124.45 3ic8 s ILE 5 Ca 0.18 -0.80 -0.02 0.00 0.00 0.00 0.00 60.65 60.00 3ic8 s ILE 5 Cb -0.15 -1.62 -0.01 0.00 0.01 0.00 0.00 42.46 40.68 3ic8 s ILE 5 CO 0.09 0.50 -0.08 -0.22 0.00 0.00 0.00 174.94 175.23 3ic8 s LEU 6 N 1.09 2.86 -0.26 2.97 2.96 -0.55 0.56 118.68 128.31 3ic8 s LEU 6 Ca -0.02 -0.33 -0.10 0.00 -0.22 0.00 0.00 54.13 53.47 3ic8 s LEU 6 Cb -0.14 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 3ic8 s LEU 6 CO -0.06 0.09 0.15 -1.00 -1.32 0.00 0.00 176.35 174.21 3ic8 s HIS 7 N 0.81 3.19 0.16 5.38 3.76 0.38 -1.54 115.29 127.43 3ic8 s HIS 7 Ca -0.03 -0.05 -0.17 0.00 -0.15 0.00 0.00 55.06 54.67 3ic8 s HIS 7 Cb -0.15 -2.32 0.03 0.00 1.11 0.00 0.00 32.58 31.26 3ic8 s HIS 7 CO 0.01 -0.19 0.47 -3.38 -0.85 0.00 0.00 174.74 170.79 3ic8 s HIS 8 N 1.61 -0.14 -0.28 1.40 -0.00 -0.91 -1.39 115.29 115.58 3ic8 s HIS 8 Ca 0.07 -0.18 -0.22 0.00 -0.00 0.00 0.00 55.06 54.73 3ic8 s HIS 8 Cb -0.15 0.32 -0.01 0.00 -0.00 0.00 0.00 32.58 32.74 3ic8 s HIS 8 CO 0.08 -0.82 0.71 0.71 -0.00 0.00 0.00 174.74 175.42 3ic8 s TYR 9 N -3.84 3.25 0.32 0.38 1.51 -1.26 -1.69 117.35 116.02 3ic8 s TYR 9 Ca 0.07 0.82 0.02 0.00 -1.01 0.00 0.00 57.07 56.97 3ic8 s TYR 9 Cb 0.00 -3.02 0.55 0.00 -0.11 0.00 0.00 41.96 39.38 3ic8 s TYR 9 CO -0.07 -0.44 1.89 -1.35 -1.11 0.00 0.00 175.55 174.47 3ic8 h PRO 10 N 7.98 0.69 0.00 -1.71 0.11 -1.94 -2.66 132.00 134.47 3ic8 h PRO 10 Ca -0.25 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3ic8 h PRO 10 Cb 1.11 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3ic8 h PRO 10 CO 0.83 0.61 -0.25 0.25 -0.21 0.00 0.00 178.00 179.23 3ic8 n THR 11 N -4.32 0.07 -2.21 -1.15 -2.24 -1.26 -4.90 114.28 98.28 3ic8 n THR 11 Ca 0.03 -0.04 -0.42 0.00 -2.27 0.00 0.00 64.05 61.35 3ic8 n THR 11 Cb 0.19 -0.18 -0.03 0.00 -2.10 0.00 0.00 70.33 68.21 3ic8 n THR 11 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3ic8 s SER 12 N -3.22 6.85 0.32 3.42 0.15 -1.00 -4.88 113.70 115.34 3ic8 s SER 12 Ca 0.12 2.21 0.02 0.00 0.70 0.00 0.00 55.95 58.99 3ic8 s SER 12 Cb 0.17 -2.57 0.54 0.00 -1.71 0.00 0.00 66.02 62.45 3ic8 s SER 12 CO 0.62 -0.67 1.90 -0.07 1.20 0.00 0.00 173.24 176.22 3ic8 h LEU 13 N 7.53 0.67 -1.41 3.45 3.38 -1.90 -2.24 115.31 124.78 3ic8 h LEU 13 Ca -0.40 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.43 3ic8 h LEU 13 Cb 1.20 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 3ic8 h LEU 13 CO 0.88 0.62 -0.19 0.15 0.09 0.00 0.00 178.44 179.99 3ic8 h PHE 14 N 0.72 0.16 0.00 1.13 3.04 -1.96 -3.08 116.94 116.95 3ic8 h PHE 14 Ca 0.17 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.10 3ic8 h PHE 14 Cb 0.19 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.65 3ic8 h PHE 14 CO 0.01 0.34 0.00 0.00 -2.02 0.00 0.00 178.31 176.64 3ic8 n ALA 15 N -2.49 1.97 0.21 2.41 0.00 -0.85 -3.55 120.51 118.22 3ic8 n ALA 15 Ca -0.01 -0.01 0.05 0.00 0.00 0.00 0.00 53.44 53.46 3ic8 n ALA 15 Cb 0.29 -1.39 0.48 0.00 0.00 0.00 0.00 19.45 18.83 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 0.00 0.01 -0.48 0.00 4.57 -1.54 -2.95 114.58 114.18 3ic8 h GLU 16 Ca 0.00 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 3ic8 h GLU 16 Cb 0.47 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.03 3ic8 h GLU 16 CO 0.00 0.22 0.18 -0.22 -1.18 0.00 0.00 179.01 178.00 3ic8 h LYS 17 N 0.01 0.73 -0.71 1.92 3.64 -1.79 -0.32 116.57 120.04 3ic8 h LYS 17 Ca -0.00 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.19 3ic8 h LYS 17 Cb 0.37 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 3ic8 h LYS 17 CO 0.03 0.67 0.28 0.00 -2.27 0.00 0.00 179.45 178.16 3ic8 h ALA 18 N 1.03 1.14 -0.56 5.00 0.00 -1.77 -2.74 119.26 121.35 3ic8 h ALA 18 Ca 0.16 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3ic8 h ALA 18 Cb 0.22 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3ic8 h ALA 18 CO -0.01 0.61 0.17 0.00 0.00 0.00 0.00 179.25 180.02 3ic8 h ARG 19 N 1.04 0.88 -1.82 0.00 3.08 -1.31 -2.58 114.38 113.66 3ic8 h ARG 19 Ca 0.24 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3ic8 h ARG 19 Cb 0.21 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3ic8 h ARG 19 CO -0.02 0.80 0.00 1.28 -1.07 0.00 0.00 179.97 180.96 3ic8 n LEU 20 N -4.43 0.57 0.00 3.04 4.77 -0.17 -2.74 117.00 118.04 3ic8 n LEU 20 Ca 0.03 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 3ic8 n LEU 20 Cb 0.21 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3ic8 n LEU 20 CO 0.40 0.10 0.00 0.18 -1.33 0.00 0.00 177.39 176.73 3ic8 n LEU 22 N 0.95 0.00 -0.23 2.23 4.77 -0.98 -1.91 117.00 121.83 3ic8 n LEU 22 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 3ic8 n LEU 22 Cb 0.09 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.30 3ic8 n LEU 22 CO 0.00 0.00 1.03 1.23 -1.33 0.00 0.00 177.39 178.32 3ic8 h GLY 23 N 0.00 1.14 0.94 -0.72 0.00 -1.56 -1.90 103.07 100.97 3ic8 h GLY 23 Ca 0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 47.33 46.68 3ic8 h GLY 23 CO 0.00 0.59 0.13 -2.75 0.00 0.00 0.00 176.54 174.51 3ic8 h PHE 24 N 1.03 0.66 -0.35 5.60 3.57 -1.60 -2.95 116.94 122.90 3ic8 h PHE 24 Ca 0.24 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 3ic8 h PHE 24 Cb 0.23 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 3ic8 h PHE 24 CO 0.02 0.61 0.12 0.87 -2.23 0.00 0.00 178.31 177.70 3ic8 h LYS 25 N 0.53 0.50 -0.59 1.11 1.79 -1.80 -3.44 116.57 114.66 3ic8 h LYS 25 Ca 0.13 -0.07 -0.15 0.00 -2.18 0.00 0.00 60.65 58.39 3ic8 h LYS 25 Cb 0.25 -0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 30.77 3ic8 h LYS 25 CO -0.01 0.43 -0.16 0.41 -1.08 0.00 0.00 179.45 179.05 3ic8 n GLY 26 N -1.18 0.65 3.52 3.86 0.00 -0.73 -4.72 105.19 106.59 3ic8 n GLY 26 Ca 0.02 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.31 4.33 0.49 1.61 0.11 -1.25 -4.94 120.40 118.43 3ic8 s VAL 27 Ca 0.00 -0.19 -0.23 0.00 -2.93 0.00 0.00 61.98 58.64 3ic8 s VAL 27 Cb 0.00 -2.96 -0.07 0.00 -1.53 0.00 0.00 36.38 31.82 3ic8 s VAL 27 CO 0.00 0.43 1.23 0.20 -3.33 0.00 0.00 175.10 173.63 3ic8 s ASN 28 N 0.81 5.86 0.15 3.54 0.01 -1.26 -4.76 114.94 119.30 3ic8 s ASN 28 Ca 0.02 2.47 0.01 0.00 -0.71 0.00 0.00 52.86 54.64 3ic8 s ASN 28 Cb -0.14 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 38.86 3ic8 s ASN 28 CO 0.02 -1.14 0.02 -1.66 -1.51 0.00 0.00 177.10 172.83 3ic8 s TRP 29 N -1.46 1.04 -0.11 2.20 1.48 0.21 -4.52 118.94 117.78 3ic8 s TRP 29 Ca 0.66 -1.11 -0.04 0.00 -1.06 0.00 0.00 56.10 54.55 3ic8 s TRP 29 Cb -0.33 -0.60 -0.03 0.00 -1.16 0.00 0.00 33.47 31.35 3ic8 s TRP 29 CO 0.39 -0.35 0.03 1.03 -4.06 0.00 0.00 176.95 173.99 3ic8 s ARG 30 N -3.97 3.29 -0.32 3.25 1.81 0.62 -2.15 118.95 121.47 3ic8 s ARG 30 Ca 0.23 -0.37 -0.05 0.00 -1.72 0.00 0.00 55.73 53.82 3ic8 s ARG 30 Cb 0.07 -2.93 0.04 0.00 -0.45 0.00 0.00 34.95 31.67 3ic8 s ARG 30 CO 0.03 0.59 0.07 0.45 -0.68 0.00 0.00 175.30 175.76 3ic8 s SER 31 N -0.56 5.16 -0.29 0.23 0.15 0.08 -1.49 113.70 116.98 3ic8 s SER 31 Ca 0.10 -1.10 -0.10 0.00 0.70 0.00 0.00 55.95 55.55 3ic8 s SER 31 Cb -0.12 -1.83 -0.02 0.00 -1.71 0.00 0.00 66.02 62.34 3ic8 s SER 31 CO 0.02 -0.29 0.15 -0.69 1.20 0.00 0.00 173.24 173.63 3ic8 s VAL 32 N 1.38 4.74 0.23 4.45 1.01 -0.59 -1.34 120.40 130.28 3ic8 s VAL 32 Ca -0.02 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.43 3ic8 s VAL 32 Cb -0.19 -3.35 -0.09 0.00 0.00 0.00 0.00 36.38 32.76 3ic8 s VAL 32 CO 0.02 0.16 1.00 -0.89 0.00 0.00 0.00 175.10 175.38 3ic8 s THR 33 N 1.65 3.96 -0.20 3.92 2.01 -1.26 -2.14 115.64 123.58 3ic8 s THR 33 Ca 0.06 1.89 -0.11 0.00 0.31 0.00 0.00 61.69 63.83 3ic8 s THR 33 Cb -0.16 -4.20 -0.05 0.00 0.01 0.00 0.00 72.50 68.09 3ic8 s THR 33 CO 0.07 0.42 0.19 -0.63 -0.69 0.00 0.00 174.62 173.98 3ic8 s ILE 34 N -0.92 5.36 0.31 1.82 1.01 -0.68 -4.84 121.20 123.26 3ic8 s ILE 34 Ca 0.44 0.30 -0.29 0.00 0.00 0.00 0.00 60.65 61.09 3ic8 s ILE 34 Cb -0.28 -3.53 -0.10 0.00 0.01 0.00 0.00 42.46 38.56 3ic8 s ILE 34 CO 0.34 0.39 1.35 -2.16 0.00 0.00 0.00 174.94 174.86 3ic8 s PRO 35 N 0.64 4.32 0.54 2.79 0.04 -1.26 -4.72 135.00 137.35 3ic8 s PRO 35 Ca 0.10 2.25 0.29 0.00 0.04 0.00 0.00 61.00 63.69 3ic8 s PRO 35 Cb -0.12 -3.08 1.55 0.00 0.04 0.00 0.00 34.50 32.89 3ic8 s PRO 35 CO 0.02 -0.26 2.11 0.77 0.04 0.00 0.00 177.00 179.67 3ic8 h SER 36 N 3.77 0.00 0.00 6.66 0.02 -2.00 -3.49 113.55 118.51 3ic8 h SER 36 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3ic8 h SER 36 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 3ic8 h SER 36 CO 0.68 0.09 0.00 -0.38 -1.14 0.00 0.00 176.83 176.08 3ic8 n ILE 37 N -3.61 0.00 -0.95 3.27 -0.00 -1.26 -5.15 119.36 111.66 3ic8 n ILE 37 Ca -0.02 0.00 -0.35 0.00 -0.00 0.00 0.00 62.75 62.38 3ic8 n ILE 37 Cb 0.21 -0.61 0.06 0.00 -0.00 0.00 0.00 39.64 39.30 3ic8 n ILE 37 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 3ic8 n PRO 39 N 0.00 -0.07 -3.45 0.38 -0.04 -1.26 -5.04 135.00 125.51 3ic8 n PRO 39 Ca 0.00 -0.01 -0.26 0.00 -0.04 0.00 0.00 63.50 63.19 3ic8 n PRO 39 Cb 0.00 -1.20 -0.09 0.00 -0.04 0.00 0.00 33.50 32.17 3ic8 n PRO 39 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3ic8 n LYS 40 N 1.50 1.62 -0.17 0.54 5.02 -1.26 -4.93 118.16 120.47 3ic8 n LYS 40 Ca 0.00 -4.07 -0.01 0.00 -2.02 0.00 0.00 58.31 52.21 3ic8 n LYS 40 Cb 0.55 -1.92 0.24 0.00 -0.02 0.00 0.00 35.03 33.88 3ic8 n LYS 40 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3ic8 h PRO 41 N 4.56 0.91 -0.26 1.97 0.13 -1.98 -2.38 132.00 134.94 3ic8 h PRO 41 Ca 0.17 -0.10 -0.03 0.00 -0.87 0.00 0.00 66.00 65.17 3ic8 h PRO 41 Cb 0.77 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 3ic8 h PRO 41 CO 0.66 0.67 0.05 -0.44 -0.23 0.00 0.00 178.00 178.71 3ic8 h ASP 42 N 0.92 0.40 -0.53 1.44 5.19 -1.95 -2.33 116.42 119.56 3ic8 h ASP 42 Ca 0.23 -0.24 -0.07 0.00 -0.62 0.00 0.00 57.03 56.33 3ic8 h ASP 42 Cb 0.03 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.42 3ic8 h ASP 42 CO -0.04 0.54 0.05 0.25 -3.12 0.00 0.00 179.24 176.92 3ic8 h LEU 43 N 0.24 0.87 -1.54 1.55 5.85 -1.91 -3.13 115.31 117.24 3ic8 h LEU 43 Ca 0.08 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.47 3ic8 h LEU 43 Cb 0.30 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 3ic8 h LEU 43 CO 0.00 0.94 -0.17 0.00 -0.34 0.00 0.00 178.44 178.87 3ic8 h THR 44 N 0.78 1.15 -0.72 1.05 1.03 -1.39 -1.94 112.91 112.86 3ic8 h THR 44 Ca 0.16 -0.70 -0.01 0.00 -0.01 0.00 0.00 66.41 65.85 3ic8 h THR 44 Cb 0.46 1.30 -0.03 0.00 -1.07 0.00 0.00 68.15 68.81 3ic8 h THR 44 CO 0.02 0.21 0.42 0.00 -0.01 0.00 0.00 175.52 176.16 3ic8 h ALA 45 N 1.75 0.92 -0.07 0.00 0.00 -1.36 1.16 119.26 121.67 3ic8 h ALA 45 Ca 0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3ic8 h ALA 45 Cb 0.35 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ic8 h ALA 45 CO 0.02 0.41 -0.08 -0.07 0.00 0.00 0.00 179.25 179.53 3ic8 h LEU 46 N 0.99 0.19 0.00 0.00 3.38 -1.45 -3.38 115.31 115.05 3ic8 h LEU 46 Ca 0.26 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3ic8 h LEU 46 Cb -0.01 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3ic8 h LEU 46 CO -0.05 0.66 -0.67 0.35 0.09 0.00 0.00 178.44 178.83 3ic8 n THR 47 N -4.69 0.04 -1.13 0.22 -2.24 -0.88 -4.94 114.28 100.65 3ic8 n THR 47 Ca -0.07 -0.04 -0.03 0.00 -2.27 0.00 0.00 64.05 61.63 3ic8 n THR 47 Cb 0.32 0.37 -0.01 0.00 -2.10 0.00 0.00 70.33 68.91 3ic8 n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ic8 n GLY 48 N 1.48 0.61 0.00 3.38 0.00 0.40 -3.74 105.19 107.32 3ic8 n GLY 48 Ca 0.05 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.53 3.46 3.67 -0.02 0.00 -1.17 -4.52 105.19 104.09 3ic8 n GLY 49 Ca -0.03 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.52 3ic8 n GLY 49 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3ic8 n TYR 50 N -1.85 2.39 0.93 1.61 9.36 -1.25 -4.66 117.16 123.70 3ic8 n TYR 50 Ca 0.00 -0.13 0.10 0.00 3.32 0.00 0.00 57.90 61.19 3ic8 n TYR 50 Cb 0.00 -2.71 0.00 0.00 -0.63 0.00 0.00 39.34 36.00 3ic8 n TYR 50 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 3ic8 n ARG 51 N 6.98 1.36 -1.81 2.98 -4.01 -1.26 -4.81 116.66 116.09 3ic8 n ARG 51 Ca 0.22 -1.00 -0.41 0.00 -1.04 0.00 0.00 57.85 55.62 3ic8 n ARG 51 Cb 0.33 -1.43 -0.00 0.00 -3.04 0.00 0.00 32.46 28.32 3ic8 n ARG 51 CO 0.00 0.00 0.00 -1.59 -3.04 0.00 0.00 177.63 173.00 3ic8 s LYS 52 N -2.32 4.12 0.25 2.89 -2.85 -1.26 -4.96 119.74 115.61 3ic8 s LYS 52 Ca 0.18 2.56 0.01 0.00 -1.00 0.00 0.00 55.97 57.71 3ic8 s LYS 52 Cb 0.17 -2.98 -0.05 0.00 -2.06 0.00 0.00 37.83 32.91 3ic8 s LYS 52 CO 0.52 -0.53 0.10 0.95 0.10 0.00 0.00 175.35 176.49 3ic8 s THR 53 N -0.92 0.49 0.74 3.79 -4.23 -1.26 -4.75 115.64 109.49 3ic8 s THR 53 Ca 0.54 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.94 3ic8 s THR 53 Cb -0.46 -2.61 0.04 0.00 1.34 0.00 0.00 72.50 70.80 3ic8 s THR 53 CO 0.60 -0.01 1.12 -2.84 -0.54 0.00 0.00 174.62 172.95 3ic8 s PRO 54 N -4.05 2.47 -0.01 3.99 0.02 -1.26 -4.94 135.00 131.22 3ic8 s PRO 54 Ca 0.38 0.26 0.05 0.00 0.02 0.00 0.00 61.00 61.72 3ic8 s PRO 54 Cb 0.08 -2.01 -0.01 0.00 0.02 0.00 0.00 34.50 32.57 3ic8 s PRO 54 CO 0.13 -1.25 -0.17 0.08 -0.33 0.00 0.00 177.00 175.45 3ic8 s VAL 55 N -3.43 1.37 -0.22 3.83 1.01 -0.48 -4.47 120.40 118.02 3ic8 s VAL 55 Ca 0.60 -0.74 -0.08 0.00 0.00 0.00 0.00 61.98 61.76 3ic8 s VAL 55 Cb -0.11 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 3ic8 s VAL 55 CO 0.50 0.39 0.07 -0.22 0.00 0.00 0.00 175.10 175.84 3ic8 s LEU 56 N -0.40 3.64 -0.11 3.92 0.20 -0.87 -0.47 118.68 124.58 3ic8 s LEU 56 Ca 0.07 -0.06 0.03 0.00 0.69 0.00 0.00 54.13 54.85 3ic8 s LEU 56 Cb -0.07 -1.95 -0.00 0.00 -0.43 0.00 0.00 46.19 43.74 3ic8 s LEU 56 CO -0.01 0.06 -0.21 -1.58 -0.29 0.00 0.00 176.35 174.32 3ic8 s GLN 57 N 1.06 3.13 -0.27 1.98 0.74 0.19 -0.28 119.66 126.21 3ic8 s GLN 57 Ca 0.04 -0.83 0.00 0.00 0.05 0.00 0.00 55.36 54.62 3ic8 s GLN 57 Cb -0.14 -2.39 0.08 0.00 1.10 0.00 0.00 33.01 31.65 3ic8 s GLN 57 CO 0.03 0.16 0.03 0.42 -0.55 0.00 0.00 175.29 175.38 3ic8 s ILE 58 N 0.40 1.24 0.00 -2.34 1.01 -0.72 -1.22 121.20 119.56 3ic8 s ILE 58 Ca -0.16 -1.33 0.00 0.00 0.00 0.00 0.00 60.65 59.17 3ic8 s ILE 58 Cb -0.17 -1.75 0.00 0.00 0.01 0.00 0.00 42.46 40.55 3ic8 s ILE 58 CO 0.07 -0.39 0.00 0.61 0.00 0.00 0.00 174.94 175.23 3ic8 n GLY 59 N 4.74 3.99 1.39 6.18 0.00 -1.26 -1.95 105.19 118.28 3ic8 n GLY 59 Ca -0.06 0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.13 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 12.32 3.31 -3.18 4.61 0.00 -1.26 -3.91 120.51 132.39 3ic8 n ALA 60 Ca 0.00 -1.96 -0.34 0.00 0.00 0.00 0.00 53.44 51.14 3ic8 n ALA 60 Cb 0.00 -0.91 -0.14 0.00 0.00 0.00 0.00 19.45 18.41 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 -1.25 4.31 -0.15 0.00 1.01 -0.82 -0.49 116.67 119.28 3ic8 s ASP 61 Ca 0.47 -0.29 0.01 0.00 0.71 0.00 0.00 52.55 53.45 3ic8 s ASP 61 Cb 0.35 -1.70 0.00 0.00 1.01 0.00 0.00 42.92 42.59 3ic8 s ASP 61 CO 0.15 0.11 -0.18 -0.63 0.21 0.00 0.00 175.17 174.83 3ic8 s ILE 62 N 0.69 2.47 -0.16 0.77 1.09 0.61 -1.76 121.20 124.93 3ic8 s ILE 62 Ca -0.04 -0.84 -0.03 0.00 -1.10 0.00 0.00 60.65 58.64 3ic8 s ILE 62 Cb -0.15 -2.03 -0.02 0.00 -1.06 0.00 0.00 42.46 39.20 3ic8 s ILE 62 CO 0.02 0.53 -0.05 -0.31 -0.10 0.00 0.00 174.94 175.03 3ic8 s TYR 63 N 0.78 3.00 -0.00 3.97 2.02 0.62 0.41 117.35 128.15 3ic8 s TYR 63 Ca -0.06 -0.37 0.05 0.00 -0.37 0.00 0.00 57.07 56.32 3ic8 s TYR 63 Cb -0.15 -1.96 -0.03 0.00 -0.40 0.00 0.00 41.96 39.42 3ic8 s TYR 63 CO -0.00 -0.09 -0.16 0.00 -1.57 0.00 0.00 175.55 173.73 3ic8 n ASP 65 N 1.94 -0.37 -0.15 0.00 2.03 -1.26 -4.58 116.55 114.17 3ic8 n ASP 65 Ca -0.16 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.12 3ic8 n ASP 65 Cb 0.52 0.07 0.18 0.00 -0.72 0.00 0.00 41.12 41.17 3ic8 n ASP 65 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 3ic8 h THR 66 N 0.00 1.23 -0.52 5.18 2.02 -1.94 -2.92 112.91 115.95 3ic8 h THR 66 Ca 0.00 -0.79 -0.08 0.00 0.77 0.00 0.00 66.41 66.30 3ic8 h THR 66 Cb 0.00 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 3ic8 h THR 66 CO 0.00 0.30 -0.01 0.00 0.37 0.00 0.00 175.52 176.18 3ic8 h ALA 67 N 1.34 0.99 0.00 6.16 0.00 -2.02 -2.82 119.26 122.91 3ic8 h ALA 67 Ca 0.19 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3ic8 h ALA 67 Cb 0.27 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ic8 h ALA 67 CO -0.01 0.61 0.00 -0.11 0.00 0.00 0.00 179.25 179.75 3ic8 n LEU 68 N -4.19 0.79 0.00 0.00 7.94 -1.11 -3.43 117.00 117.00 3ic8 n LEU 68 Ca 0.03 -0.37 0.00 0.00 -1.11 0.00 0.00 56.01 54.55 3ic8 n LEU 68 Cb 0.33 -0.15 0.00 0.00 0.53 0.00 0.00 43.42 44.12 3ic8 n LEU 68 CO 0.43 0.14 0.00 0.00 -1.11 0.00 0.00 177.39 176.85 3ic8 n ALA 70 N 1.33 0.00 -0.08 1.96 0.00 -1.07 -2.18 120.51 120.47 3ic8 n ALA 70 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 3ic8 n ALA 70 Cb 0.10 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.69 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 0.74 -0.62 0.00 3.08 -1.87 -0.95 114.38 114.76 3ic8 h ARG 71 Ca 0.00 -0.24 -0.06 0.00 0.07 0.00 0.00 59.98 59.74 3ic8 h ARG 71 Cb 0.00 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 3ic8 h ARG 71 CO 0.00 0.83 0.14 -0.09 -1.07 0.00 0.00 179.97 179.78 3ic8 h ARG 72 N 0.67 1.00 -0.42 0.04 9.65 -1.77 -2.29 114.38 121.27 3ic8 h ARG 72 Ca 0.12 -0.25 -0.06 0.00 -1.10 0.00 0.00 59.98 58.69 3ic8 h ARG 72 Cb 0.58 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.01 3ic8 h ARG 72 CO 0.04 0.92 0.03 -0.07 2.80 0.00 0.00 179.97 183.68 3ic8 h LEU 73 N 0.92 0.62 -0.73 3.80 3.38 -1.79 -1.74 115.31 119.77 3ic8 h LEU 73 Ca 0.19 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3ic8 h LEU 73 Cb 0.37 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3ic8 h LEU 73 CO 0.00 0.67 0.26 -0.08 0.09 0.00 0.00 178.44 179.38 3ic8 h GLU 74 N 0.63 1.11 -0.45 1.13 4.57 -0.93 -2.02 114.58 118.63 3ic8 h GLU 74 Ca 0.13 -0.22 -0.09 0.00 -1.18 0.00 0.00 59.36 58.00 3ic8 h GLU 74 Cb 0.36 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 3ic8 h GLU 74 CO 0.01 0.93 -0.10 0.37 -1.18 0.00 0.00 179.01 179.04 3ic8 h GLN 75 N 1.06 0.80 0.08 1.92 4.15 -1.02 -3.24 115.11 118.85 3ic8 h GLN 75 Ca 0.24 -0.26 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 3ic8 h GLN 75 Cb 0.26 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.88 3ic8 h GLN 75 CO -0.01 0.87 -0.04 1.49 -1.93 0.00 0.00 178.83 179.21 3ic8 h GLU 76 N 0.72 -0.10 -3.91 1.69 4.57 -0.89 -3.42 114.58 113.23 3ic8 h GLU 76 Ca 0.12 0.01 -0.47 0.00 -1.18 0.00 0.00 59.36 57.84 3ic8 h GLU 76 Cb 0.58 0.02 -0.37 0.00 -0.16 0.00 0.00 28.75 28.82 3ic8 h GLU 76 CO 0.04 0.16 -0.78 0.21 -1.18 0.00 0.00 179.01 177.46 3ic8 s LYS 77 N -5.15 0.95 0.21 1.92 2.20 -0.80 -5.07 119.74 114.00 3ic8 s LYS 77 Ca -0.15 -0.03 -0.07 0.00 -0.36 0.00 0.00 55.97 55.36 3ic8 s LYS 77 Cb 0.03 -1.18 0.16 0.00 -1.51 0.00 0.00 37.83 35.34 3ic8 s LYS 77 CO 0.65 -0.27 1.69 0.00 -0.36 0.00 0.00 175.35 177.05 3ic8 h ALA 78 N 8.19 0.93 -4.33 3.13 0.00 -1.82 -3.40 119.26 121.96 3ic8 h ALA 78 Ca -0.24 -0.29 -0.69 0.00 0.00 0.00 0.00 54.91 53.69 3ic8 h ALA 78 Cb 1.13 -0.22 -0.27 0.00 0.00 0.00 0.00 17.79 18.43 3ic8 h ALA 78 CO 0.33 0.64 -0.88 0.45 0.00 0.00 0.00 179.25 179.79 3ic8 s SER 79 N -6.59 3.08 0.31 0.00 0.15 -1.26 -3.07 113.70 106.31 3ic8 s SER 79 Ca -0.11 -0.56 -0.29 0.00 0.70 0.00 0.00 55.95 55.69 3ic8 s SER 79 Cb 0.14 -0.29 -0.10 0.00 -1.71 0.00 0.00 66.02 64.07 3ic8 s SER 79 CO 0.84 0.26 1.14 -2.16 1.20 0.00 0.00 173.24 174.53 3ic8 s PRO 80 N -1.13 4.52 0.20 5.44 0.04 -1.26 -5.00 135.00 137.80 3ic8 s PRO 80 Ca 0.11 1.88 -0.30 0.00 0.04 0.00 0.00 61.00 62.73 3ic8 s PRO 80 Cb -0.10 -3.10 -0.08 0.00 0.04 0.00 0.00 34.50 31.26 3ic8 s PRO 80 CO 0.02 0.07 1.23 0.00 0.04 0.00 0.00 177.00 178.36 3ic8 s ALA 81 N -1.20 3.46 0.24 8.56 0.00 -1.17 -4.83 121.76 126.81 3ic8 s ALA 81 Ca 0.47 1.01 -0.02 0.00 0.00 0.00 0.00 51.96 53.41 3ic8 s ALA 81 Cb -0.33 -3.43 0.26 0.00 0.00 0.00 0.00 23.12 19.62 3ic8 s ALA 81 CO 0.43 -0.42 1.66 0.74 0.00 0.00 0.00 175.76 178.17 3ic8 h PHE 82 N 5.11 0.77 -3.25 0.00 0.04 -1.85 -3.40 116.94 114.34 3ic8 h PHE 82 Ca -0.45 -0.17 -0.63 0.00 2.80 0.00 0.00 57.97 59.52 3ic8 h PHE 82 Cb 1.21 -0.18 -0.41 0.00 2.20 0.00 0.00 35.95 38.77 3ic8 h PHE 82 CO 0.62 0.85 -0.67 0.71 -0.60 0.00 0.00 178.31 179.22 3ic8 s TYR 83 N -4.57 2.79 0.44 -0.55 1.51 -1.26 -1.80 117.35 113.90 3ic8 s TYR 83 Ca -0.08 -2.93 -0.25 0.00 -1.01 0.00 0.00 57.07 52.79 3ic8 s TYR 83 Cb 0.13 -2.51 -0.08 0.00 -0.11 0.00 0.00 41.96 39.39 3ic8 s TYR 83 CO 0.82 -0.76 1.38 -2.14 -1.11 0.00 0.00 175.55 173.74 3ic8 s PRO 84 N -0.07 3.77 0.21 -1.71 0.02 -1.26 -4.79 135.00 131.17 3ic8 s PRO 84 Ca 0.17 2.31 -0.32 0.00 0.02 0.00 0.00 61.00 63.18 3ic8 s PRO 84 Cb -0.25 -2.67 -0.12 0.00 0.02 0.00 0.00 34.50 31.47 3ic8 s PRO 84 CO 0.00 -0.71 1.72 1.04 -0.33 0.00 0.00 177.00 178.72 3ic8 n GLN 85 N -0.11 2.78 -0.66 5.54 6.02 -1.26 -1.47 117.38 128.22 3ic8 n GLN 85 Ca 0.05 1.00 0.00 0.00 -0.01 0.00 0.00 57.00 58.04 3ic8 n GLN 85 Cb 0.43 -2.85 0.00 0.00 1.02 0.00 0.00 30.24 28.84 3ic8 n GLN 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ic8 n GLY 86 N 3.86 1.08 0.07 1.08 0.00 -1.26 -4.84 105.19 105.18 3ic8 n GLY 86 Ca 0.16 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.00 1.79 -0.11 1.61 6.02 -0.54 -4.92 117.38 119.22 3ic8 n GLN 87 Ca 0.00 -1.64 -0.10 0.00 -0.01 0.00 0.00 57.00 55.26 3ic8 n GLN 87 Cb 0.00 -1.03 -0.02 0.00 1.02 0.00 0.00 30.24 30.21 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 0.51 -0.29 -1.09 3.07 -1.86 -1.07 114.58 113.85 3ic8 h GLU 88 Ca 0.00 -0.10 -0.06 0.00 -0.50 0.00 0.00 59.36 58.71 3ic8 h GLU 88 Cb 0.80 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.62 3ic8 h GLU 88 CO 0.00 0.51 -0.04 0.35 -1.40 0.00 0.00 179.01 178.43 3ic8 h PHE 89 N 0.40 0.60 -0.82 4.33 3.57 -1.93 -1.78 116.94 121.31 3ic8 h PHE 89 Ca 0.11 -0.12 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 3ic8 h PHE 89 Cb 0.20 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.75 3ic8 h PHE 89 CO -0.00 0.72 0.38 0.00 -2.23 0.00 0.00 178.31 177.18 3ic8 h ALA 90 N 0.80 1.06 -0.38 2.41 0.00 -1.89 -1.04 119.26 120.22 3ic8 h ALA 90 Ca 0.08 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3ic8 h ALA 90 Cb 0.51 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3ic8 h ALA 90 CO 0.02 0.63 0.02 0.28 0.00 0.00 0.00 179.25 180.20 3ic8 h VAL 91 N 1.17 1.25 -0.63 0.00 2.07 -1.20 -2.41 116.25 116.50 3ic8 h VAL 91 Ca 0.28 -0.95 -0.04 0.00 0.82 0.00 0.00 66.70 66.80 3ic8 h VAL 91 Cb 0.13 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3ic8 h VAL 91 CO -0.03 0.32 0.23 0.00 0.02 0.00 0.00 177.57 178.11 3ic8 h ALA 92 N 0.89 0.83 -0.43 1.67 0.00 -0.88 -2.28 119.26 119.06 3ic8 h ALA 92 Ca 0.11 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3ic8 h ALA 92 Cb 0.44 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3ic8 h ALA 92 CO 0.02 0.47 0.08 0.78 0.00 0.00 0.00 179.25 180.60 3ic8 h GLY 93 N 0.90 0.75 1.12 0.00 0.00 -1.23 -1.65 103.07 102.95 3ic8 h GLY 93 Ca 0.21 -0.49 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 3ic8 h GLY 93 CO -0.01 0.45 0.28 -2.00 0.00 0.00 0.00 176.54 175.26 3ic8 h LEU 94 N 0.56 1.03 -0.53 3.11 5.85 -1.39 -1.45 115.31 122.48 3ic8 h LEU 94 Ca 0.13 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 3ic8 h LEU 94 Cb 0.35 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3ic8 h LEU 94 CO 0.01 0.93 0.16 0.00 -0.34 0.00 0.00 178.44 179.19 3ic8 h ALA 95 N 1.22 0.70 -0.61 1.25 0.00 -1.31 -1.09 119.26 119.42 3ic8 h ALA 95 Ca 0.25 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3ic8 h ALA 95 Cb 0.23 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3ic8 h ALA 95 CO -0.02 0.37 0.11 0.00 0.00 0.00 0.00 179.25 179.71 3ic8 h ALA 96 N 1.03 1.05 -0.66 0.00 0.00 -1.08 0.09 119.26 119.68 3ic8 h ALA 96 Ca 0.17 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3ic8 h ALA 96 Cb 0.29 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3ic8 h ALA 96 CO -0.00 0.62 0.29 2.35 0.00 0.00 0.00 179.25 182.50 3ic8 h TRP 97 N 0.93 0.99 -0.57 0.00 7.01 -1.08 -2.04 115.95 121.17 3ic8 h TRP 97 Ca 0.19 -0.06 -0.10 0.00 2.11 0.00 0.00 58.89 61.03 3ic8 h TRP 97 Cb 0.38 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 27.12 3ic8 h TRP 97 CO 0.03 0.76 -0.03 0.00 -2.79 0.00 0.00 178.44 176.40 3ic8 h ALA 98 N 1.13 0.86 -0.31 2.65 0.00 -0.75 -1.33 119.26 121.50 3ic8 h ALA 98 Ca 0.22 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3ic8 h ALA 98 Cb 0.17 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3ic8 h ALA 98 CO -0.02 0.66 0.02 -0.44 0.00 0.00 0.00 179.25 179.47 3ic8 h ASP 99 N 0.93 0.44 0.00 0.00 3.32 -0.84 -1.57 116.42 118.70 3ic8 h ASP 99 Ca 0.16 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3ic8 h ASP 99 Cb 0.58 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.01 3ic8 h ASP 99 CO 0.03 0.49 0.00 -1.54 -1.72 0.00 0.00 179.24 176.50 3ic8 n SER 100 N -4.31 0.00 0.13 6.45 3.41 -0.78 -4.34 113.62 114.17 3ic8 n SER 100 Ca 0.01 0.03 -0.14 0.00 -0.26 0.00 0.00 58.87 58.52 3ic8 n SER 100 Cb 0.22 -0.25 -0.08 0.00 -0.26 0.00 0.00 64.21 63.84 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 0.83 -0.34 -3.33 2.07 -1.43 -2.25 116.25 111.80 3ic8 h VAL 101 Ca 0.00 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 3ic8 h VAL 101 Cb 0.00 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3ic8 h VAL 101 CO 0.00 0.03 0.06 0.25 0.02 0.00 0.00 177.57 177.93 3ic8 h LEU 102 N -0.33 0.54 -0.64 2.57 5.85 -1.58 -2.64 115.31 119.07 3ic8 h LEU 102 Ca -0.03 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.36 3ic8 h LEU 102 Cb 0.26 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3ic8 h LEU 102 CO 0.05 0.66 0.13 0.15 -0.34 0.00 0.00 178.44 179.09 3ic8 h PHE 103 N 0.39 1.11 -0.51 1.25 3.57 -1.31 -2.36 116.94 119.08 3ic8 h PHE 103 Ca 0.10 -0.14 -0.05 0.00 3.53 0.00 0.00 57.97 61.42 3ic8 h PHE 103 Cb 0.35 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 3ic8 h PHE 103 CO 0.02 0.93 0.13 -0.07 -2.23 0.00 0.00 178.31 177.09 3ic8 h LEU 104 N 0.97 0.71 -0.32 0.59 4.07 -1.43 -1.00 115.31 118.89 3ic8 h LEU 104 Ca 0.20 -0.12 -0.01 0.00 0.08 0.00 0.00 57.88 58.03 3ic8 h LEU 104 Cb 0.39 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.94 3ic8 h LEU 104 CO 0.01 0.70 0.16 0.45 -1.08 0.00 0.00 178.44 178.68 3ic8 h HIS 105 N 0.74 0.46 -0.68 1.13 3.86 -1.25 -2.36 115.15 117.06 3ic8 h HIS 105 Ca 0.17 -0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.30 3ic8 h HIS 105 Cb 0.27 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.57 3ic8 h HIS 105 CO 0.01 0.40 0.21 0.00 0.86 0.00 0.00 177.93 179.41 3ic8 h ALA 106 N 1.02 0.89 -0.32 2.45 0.00 -0.90 -2.27 119.26 120.14 3ic8 h ALA 106 Ca 0.11 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3ic8 h ALA 106 Cb 0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3ic8 h ALA 106 CO -0.02 0.57 -0.04 -0.39 0.00 0.00 0.00 179.25 179.37 3ic8 h VAL 107 N 0.99 1.21 -0.47 0.00 -1.51 -1.14 -1.84 116.25 113.50 3ic8 h VAL 107 Ca 0.22 -0.85 -0.03 0.00 -1.23 0.00 0.00 66.70 64.80 3ic8 h VAL 107 Cb 0.30 1.01 -0.02 0.00 -2.13 0.00 0.00 31.29 30.46 3ic8 h VAL 107 CO -0.01 0.29 0.15 0.28 -1.23 0.00 0.00 177.57 177.05 3ic8 h SER 108 N 0.48 0.67 -0.41 4.19 0.02 -1.05 -1.65 113.55 115.79 3ic8 h SER 108 Ca 0.10 -0.20 -0.05 0.00 -0.84 0.00 0.00 61.79 60.80 3ic8 h SER 108 Cb 0.38 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 3ic8 h SER 108 CO 0.02 0.69 0.07 -0.07 -1.14 0.00 0.00 176.83 176.40 3ic8 h LEU 109 N 0.62 0.66 -0.28 5.07 3.38 -1.14 -2.22 115.31 121.39 3ic8 h LEU 109 Ca 0.15 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 3ic8 h LEU 109 Cb 0.25 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3ic8 h LEU 109 CO -0.01 0.74 -0.21 0.58 0.09 0.00 0.00 178.44 179.64 3ic8 h VAL 110 N 0.54 1.30 -0.46 1.22 2.07 -1.18 -3.31 116.25 116.43 3ic8 h VAL 110 Ca 0.13 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.30 3ic8 h VAL 110 Cb 0.36 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 3ic8 h VAL 110 CO 0.01 0.43 0.00 0.49 0.02 0.00 0.00 177.57 178.51 3ic8 n PHE 111 N -4.35 0.84 0.00 1.57 3.72 -0.64 -5.07 117.46 113.53 3ic8 n PHE 111 Ca -0.04 -0.58 0.00 0.00 -0.05 0.00 0.00 57.45 56.78 3ic8 n PHE 111 Cb 0.42 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.84 3ic8 n PHE 111 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3ic8 n GLN 112 N 0.67 0.00 -1.31 -1.08 1.13 -0.84 -5.02 117.38 110.93 3ic8 n GLN 112 Ca 0.18 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 55.16 3ic8 n GLN 112 Cb 0.63 0.00 -0.07 0.00 0.11 0.00 0.00 30.24 30.91 3ic8 n GLN 112 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 3ic8 n PRO 148 N 0.00 0.07 -0.21 -1.09 -0.04 -1.26 -4.89 135.00 127.58 3ic8 n PRO 148 Ca 0.00 -0.82 -0.01 0.00 -0.04 0.00 0.00 63.50 62.62 3ic8 n PRO 148 Cb 0.00 -2.48 0.21 0.00 -0.04 0.00 0.00 33.50 31.18 3ic8 n PRO 148 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3ic8 h VAL 149 N 6.89 1.21 -0.25 0.52 2.07 -1.97 0.32 116.25 125.04 3ic8 h VAL 149 Ca 0.00 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 3ic8 h VAL 149 Cb 1.01 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3ic8 h VAL 149 CO 1.03 0.24 0.11 -0.08 0.02 0.00 0.00 177.57 178.88 3ic8 h GLU 150 N 0.98 0.37 -0.50 1.57 4.81 -2.00 0.28 114.58 120.10 3ic8 h GLU 150 Ca 0.25 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 3ic8 h GLU 150 Cb 0.03 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 3ic8 h GLU 150 CO -0.04 0.40 0.06 0.37 -0.73 0.00 0.00 179.01 179.07 3ic8 h GLN 151 N 0.26 0.79 -0.04 1.92 5.75 -1.56 0.15 115.11 122.38 3ic8 h GLN 151 Ca 0.08 -0.19 -0.00 0.00 -0.15 0.00 0.00 58.65 58.39 3ic8 h GLN 151 Cb 0.17 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 28.61 3ic8 h GLN 151 CO -0.01 0.76 0.01 0.28 -2.65 0.00 0.00 178.83 177.22 3ic8 h VAL 152 N 0.75 1.18 -0.50 2.39 2.07 0.18 -0.87 116.25 121.45 3ic8 h VAL 152 Ca 0.16 -0.53 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 3ic8 h VAL 152 Cb 0.38 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 3ic8 h VAL 152 CO 0.01 0.14 0.09 0.11 0.02 0.00 0.00 177.57 177.95 3ic8 h LYS 153 N -0.15 0.78 -0.40 1.57 6.56 -0.23 -1.57 116.57 123.13 3ic8 h LYS 153 Ca 0.01 -0.17 -0.01 0.00 -1.06 0.00 0.00 60.65 59.42 3ic8 h LYS 153 Cb 0.22 -0.11 -0.02 0.00 -0.57 0.00 0.00 32.23 31.75 3ic8 h LYS 153 CO -0.00 0.73 0.20 1.25 -2.06 0.00 0.00 179.45 179.56 3ic8 h HIS 154 N 0.75 0.56 -0.25 -1.35 6.17 -0.51 -3.19 115.15 117.33 3ic8 h HIS 154 Ca 0.16 -0.02 -0.10 0.00 0.71 0.00 0.00 60.37 61.12 3ic8 h HIS 154 Cb 0.32 -0.18 -0.01 0.00 2.52 0.00 0.00 27.41 30.06 3ic8 h HIS 154 CO 0.02 0.46 -0.26 1.96 0.71 0.00 0.00 177.93 180.82 3ic8 h GLN 155 N 0.51 0.48 -0.74 5.26 4.20 -0.77 -3.40 115.11 120.64 3ic8 h GLN 155 Ca 0.14 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3ic8 h GLN 155 Cb 0.10 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.82 3ic8 h GLN 155 CO -0.02 0.70 0.47 2.35 -0.67 0.00 0.00 178.83 181.67 3ic8 h TRP 156 N 0.42 0.94 -0.00 2.96 2.91 -1.28 -2.06 115.95 119.84 3ic8 h TRP 156 Ca 0.06 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.07 3ic8 h TRP 156 Cb 0.68 -0.32 -0.00 0.00 -0.51 0.00 0.00 29.16 29.01 3ic8 h TRP 156 CO 0.02 0.61 -0.13 -1.35 -1.03 0.00 0.00 178.44 176.56 3ic8 h PRO 157 N 1.01 0.00 -0.37 2.65 0.11 -1.77 -2.13 132.00 131.50 3ic8 h PRO 157 Ca 0.27 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.35 3ic8 h PRO 157 Cb -0.09 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.01 3ic8 h PRO 157 CO -0.06 0.13 0.13 1.15 -0.21 0.00 0.00 178.00 179.15 3ic8 h THR 158 N 0.00 1.20 0.00 -1.15 2.02 -1.65 -1.57 112.91 111.76 3ic8 h THR 158 Ca -0.00 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.56 3ic8 h THR 158 Cb 0.23 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 3ic8 h THR 158 CO 0.02 0.22 0.00 0.49 0.37 0.00 0.00 175.52 176.62 3ic8 n PHE 159 N -4.66 0.00 0.00 3.16 3.72 -0.80 -2.47 117.46 116.40 3ic8 n PHE 159 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 3ic8 n PHE 159 Cb 0.15 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 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 0.28 0.00 -0.21 4.37 3.41 -0.59 -1.93 113.62 118.95 3ic8 n SER 161 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.53 3ic8 n SER 161 Cb 0.04 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.02 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 0.90 -0.72 4.33 3.08 -1.72 -0.89 114.38 119.36 3ic8 h ARG 162 Ca 0.00 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 59.81 3ic8 h ARG 162 Cb 0.00 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 3ic8 h ARG 162 CO 0.00 0.81 0.30 1.25 -1.07 0.00 0.00 179.97 181.26 3ic8 h LEU 163 N 0.82 0.99 -0.67 3.04 5.85 -1.66 -2.35 115.31 121.34 3ic8 h LEU 163 Ca 0.19 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 3ic8 h LEU 163 Cb 0.29 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3ic8 h LEU 163 CO -0.01 0.89 0.40 -0.33 -0.34 0.00 0.00 178.44 179.05 3ic8 h GLU 164 N 1.03 0.91 -0.38 1.25 5.08 -1.76 -1.58 114.58 119.13 3ic8 h GLU 164 Ca 0.24 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 3ic8 h GLU 164 Cb 0.20 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3ic8 h GLU 164 CO -0.02 0.65 0.20 0.77 -1.00 0.00 0.00 179.01 179.62 3ic8 h SER 165 N 0.91 0.49 -0.67 1.42 0.02 -0.83 -0.92 113.55 113.97 3ic8 h SER 165 Ca 0.24 -0.10 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 3ic8 h SER 165 Cb -0.02 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 3ic8 h SER 165 CO -0.04 0.45 0.16 -0.61 -1.14 0.00 0.00 176.83 175.65 3ic8 h GLN 166 N 0.49 1.07 0.00 3.45 4.15 -1.29 -3.10 115.11 119.88 3ic8 h GLN 166 Ca 0.13 -0.26 -0.05 0.00 0.77 0.00 0.00 58.65 59.25 3ic8 h GLN 166 Cb 0.08 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 3ic8 h GLN 166 CO -0.02 0.96 -0.21 -0.07 -1.93 0.00 0.00 178.83 177.55 3ic8 h LEU 167 N 1.00 0.00 -1.90 -2.39 3.38 -0.70 -2.91 115.31 111.79 3ic8 h LEU 167 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3ic8 h LEU 167 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3ic8 h LEU 167 CO 0.00 0.21 0.00 0.77 0.09 0.00 0.00 178.44 179.52 3ic8 h SER 168 N 0.00 0.00 0.76 -0.43 4.64 -1.10 -1.31 113.55 116.10 3ic8 h SER 168 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ic8 h SER 168 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3ic8 h SER 168 CO 0.03 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.40 3ic8 n HIS 169 N -2.78 0.07 -1.02 4.77 8.25 -1.10 -4.91 115.22 118.50 3ic8 n HIS 169 Ca -0.01 0.02 -0.01 0.00 -0.26 0.00 0.00 57.72 57.47 3ic8 n HIS 169 Cb 0.15 -0.54 -0.00 0.00 1.12 0.00 0.00 29.99 30.72 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 0.70 0.47 3.77 -1.41 0.00 -0.50 -5.03 105.19 103.19 3ic8 n GLY 170 Ca 0.05 -0.79 -0.36 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.75 2.73 0.12 -0.02 0.00 -1.26 -4.96 107.32 101.18 3ic8 s GLY 171 Ca 0.00 0.92 -0.17 0.00 0.00 0.00 0.00 44.72 45.47 3ic8 s GLY 171 CO 0.00 1.34 1.62 -0.55 0.00 0.00 0.00 173.10 175.51 3ic8 h ASP 172 N 1.63 0.51 -5.47 1.64 3.32 -1.97 -3.47 116.42 112.62 3ic8 h ASP 172 Ca -0.50 -0.22 -0.41 0.00 0.02 0.00 0.00 57.03 55.92 3ic8 h ASP 172 Cb 1.26 -0.13 -0.14 0.00 0.22 0.00 0.00 39.33 40.54 3ic8 h ASP 172 CO 0.58 0.60 -0.54 -0.36 -1.72 0.00 0.00 179.24 177.81 3ic8 s PHE 173 N -5.33 1.59 0.28 4.55 0.40 -1.10 -4.89 117.98 113.48 3ic8 s PHE 173 Ca -0.13 -1.52 -0.02 0.00 -0.60 0.00 0.00 56.93 54.66 3ic8 s PHE 173 Cb 0.09 -0.73 0.40 0.00 0.51 0.00 0.00 43.02 43.29 3ic8 s PHE 173 CO 0.75 -0.72 1.85 -0.07 0.70 0.00 0.00 175.22 177.73 3ic8 h LEU 174 N 2.25 0.82 -3.23 -0.37 3.38 -1.90 -2.24 115.31 114.02 3ic8 h LEU 174 Ca -0.30 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3ic8 h LEU 174 Cb 1.24 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3ic8 h LEU 174 CO 0.44 0.76 0.00 0.49 0.09 0.00 0.00 178.44 180.22 3ic8 n PHE 175 N -4.30 1.11 0.00 1.13 3.01 -1.26 -5.01 117.46 112.14 3ic8 n PHE 175 Ca 0.05 -0.76 0.00 0.00 1.01 0.00 0.00 57.45 57.75 3ic8 n PHE 175 Cb 0.19 -0.29 0.00 0.00 -0.01 0.00 0.00 39.48 39.37 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 0.04 1.37 3.77 1.37 0.00 -0.84 -4.86 105.19 106.04 3ic8 n GLY 176 Ca 0.21 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.00 2.74 0.56 4.61 0.00 -1.26 -2.69 121.76 124.71 3ic8 s ALA 177 Ca 0.00 0.84 -0.19 0.00 0.00 0.00 0.00 51.96 52.61 3ic8 s ALA 177 Cb 0.00 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.71 3ic8 s ALA 177 CO 0.00 -0.74 1.15 -1.25 0.00 0.00 0.00 175.76 174.92 3ic8 s PRO 178 N -3.19 3.26 0.29 0.00 0.04 -1.26 -4.62 135.00 129.51 3ic8 s PRO 178 Ca 0.71 1.67 -0.11 0.00 0.04 0.00 0.00 61.00 63.31 3ic8 s PRO 178 Cb -0.24 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.31 3ic8 s PRO 178 CO 0.28 -0.94 0.53 -1.54 0.04 0.00 0.00 177.00 175.37 3ic8 s SER 179 N -1.72 0.13 0.47 6.66 1.04 -1.26 -4.74 113.70 114.29 3ic8 s SER 179 Ca 0.74 -1.06 0.13 0.00 0.48 0.00 0.00 55.95 56.24 3ic8 s SER 179 Cb -0.26 0.64 1.09 0.00 0.10 0.00 0.00 66.02 67.59 3ic8 s SER 179 CO 0.29 -1.26 2.07 -0.29 0.98 0.00 0.00 173.24 175.03 3ic8 h ILE 180 N 2.18 1.07 -0.54 -1.02 6.09 -1.63 -1.89 117.51 121.76 3ic8 h ILE 180 Ca -0.27 -0.27 -0.04 0.00 -1.37 0.00 0.00 64.86 62.92 3ic8 h ILE 180 Cb 1.25 1.03 -0.03 0.00 0.47 0.00 0.00 36.82 39.54 3ic8 h ILE 180 CO 0.36 0.09 0.18 0.00 -3.07 0.00 0.00 178.15 175.71 3ic8 h ALA 181 N 1.88 1.31 -0.74 0.18 0.00 -1.84 -2.63 119.26 117.42 3ic8 h ALA 181 Ca 0.03 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3ic8 h ALA 181 Cb 0.11 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3ic8 h ALA 181 CO 0.00 0.50 0.45 -0.44 0.00 0.00 0.00 179.25 179.77 3ic8 h ASP 182 N 0.77 0.88 -0.57 0.00 3.32 -1.74 -2.39 116.42 116.69 3ic8 h ASP 182 Ca 0.18 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 3ic8 h ASP 182 Cb 0.21 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 3ic8 h ASP 182 CO -0.01 0.68 -0.02 -0.26 -1.72 0.00 0.00 179.24 177.91 3ic8 h PHE 183 N 1.01 1.14 -0.27 4.55 0.04 -1.60 -0.24 116.94 121.57 3ic8 h PHE 183 Ca 0.27 -0.20 -0.02 0.00 2.80 0.00 0.00 57.97 60.82 3ic8 h PHE 183 Cb -0.05 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 37.79 3ic8 h PHE 183 CO -0.01 1.01 0.11 0.77 -0.60 0.00 0.00 178.31 179.59 3ic8 h SER 184 N 0.95 0.37 -0.16 2.17 0.02 -1.16 0.14 113.55 115.88 3ic8 h SER 184 Ca 0.17 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 3ic8 h SER 184 Cb 0.57 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 3ic8 h SER 184 CO 0.03 0.43 -0.00 0.58 -1.14 0.00 0.00 176.83 176.73 3ic8 h VAL 185 N 0.29 1.26 -0.60 2.27 2.07 -1.49 -3.17 116.25 116.87 3ic8 h VAL 185 Ca 0.09 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 3ic8 h VAL 185 Cb 0.17 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 3ic8 h VAL 185 CO -0.01 0.25 0.32 0.00 0.02 0.00 0.00 177.57 178.16 3ic8 h ALA 186 N 0.76 1.43 -0.65 1.67 0.00 -0.98 -2.59 119.26 118.91 3ic8 h ALA 186 Ca 0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3ic8 h ALA 186 Cb 0.38 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3ic8 h ALA 186 CO 0.01 0.47 0.30 1.25 0.00 0.00 0.00 179.25 181.28 3ic8 h HIS 187 N 0.84 0.95 -0.61 0.00 6.17 -0.76 -1.46 115.15 120.28 3ic8 h HIS 187 Ca 0.21 -0.05 -0.07 0.00 0.71 0.00 0.00 60.37 61.17 3ic8 h HIS 187 Cb 0.03 -0.29 -0.03 0.00 2.52 0.00 0.00 27.41 29.65 3ic8 h HIS 187 CO 0.01 0.72 0.11 1.79 0.71 0.00 0.00 177.93 181.26 3ic8 h THR 188 N 0.90 1.25 -0.70 6.26 1.35 -1.44 -2.21 112.91 118.33 3ic8 h THR 188 Ca 0.22 -0.97 -0.08 0.00 -0.55 0.00 0.00 66.41 65.04 3ic8 h THR 188 Cb 0.14 0.67 -0.03 0.00 -1.73 0.00 0.00 68.15 67.20 3ic8 h THR 188 CO -0.03 0.36 0.14 -0.07 -0.25 0.00 0.00 175.52 175.68 3ic8 h LEU 189 N 0.93 1.09 -1.18 3.87 3.38 -1.37 -2.74 115.31 119.29 3ic8 h LEU 189 Ca 0.19 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3ic8 h LEU 189 Cb 0.40 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3ic8 h LEU 189 CO 0.01 1.06 0.20 -0.25 0.09 0.00 0.00 178.44 179.54 3ic8 h TRP 190 N 1.07 0.78 -0.60 1.13 7.01 -1.12 -2.47 115.95 121.75 3ic8 h TRP 190 Ca 0.22 -0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.15 3ic8 h TRP 190 Cb 0.41 -0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 27.21 3ic8 h TRP 190 CO 0.03 0.61 0.28 0.35 -2.79 0.00 0.00 178.44 176.92 3ic8 h PHE 191 N 0.76 0.88 -0.27 2.65 3.04 -1.25 -2.45 116.94 120.30 3ic8 h PHE 191 Ca 0.18 -0.05 -0.03 0.00 3.98 0.00 0.00 57.97 62.05 3ic8 h PHE 191 Cb 0.18 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 38.40 3ic8 h PHE 191 CO 0.01 0.67 0.03 -0.07 -2.02 0.00 0.00 178.31 176.93 3ic8 h LEU 192 N 0.82 0.35 -0.63 0.59 4.07 -1.15 -2.64 115.31 116.73 3ic8 h LEU 192 Ca 0.20 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.12 3ic8 h LEU 192 Cb 0.14 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 41.79 3ic8 h LEU 192 CO -0.02 0.39 -0.03 0.29 -1.08 0.00 0.00 178.44 178.00 3ic8 n LYS 193 N -4.35 1.37 0.19 1.13 5.02 -0.93 -3.03 118.16 117.55 3ic8 n LYS 193 Ca 0.01 -0.63 0.14 0.00 -2.02 0.00 0.00 58.31 55.80 3ic8 n LYS 193 Cb 0.19 -1.49 0.46 0.00 -0.02 0.00 0.00 35.03 34.17 3ic8 n LYS 193 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 3ic8 h GLN 194 N 1.55 0.00 -5.38 1.97 1.08 -1.36 -3.42 115.11 109.54 3ic8 h GLN 194 Ca 0.00 0.00 -0.49 0.00 -1.45 0.00 0.00 58.65 56.71 3ic8 h GLN 194 Cb 0.36 0.00 -0.28 0.00 -0.05 0.00 0.00 27.48 27.51 3ic8 h GLN 194 CO 0.00 0.00 -0.81 0.95 -0.95 0.00 0.00 178.83 178.02 3ic8 s THR 195 N -3.36 1.17 0.22 -0.54 -4.23 -1.25 -5.05 115.64 102.60 3ic8 s THR 195 Ca 0.05 -0.73 -0.08 0.00 -1.18 0.00 0.00 61.69 59.75 3ic8 s THR 195 Cb 0.09 -1.00 0.17 0.00 1.34 0.00 0.00 72.50 73.10 3ic8 s THR 195 CO 0.55 0.25 1.82 1.55 -0.54 0.00 0.00 174.62 178.25 3ic8 h PRO 196 N 5.56 1.17 -0.47 3.99 0.13 -1.87 -2.66 132.00 137.85 3ic8 h PRO 196 Ca -0.36 -0.16 -0.05 0.00 -0.87 0.00 0.00 66.00 64.55 3ic8 h PRO 196 Cb 1.16 -0.22 -0.02 0.00 0.13 0.00 0.00 31.00 32.06 3ic8 h PRO 196 CO 0.47 0.89 0.08 -0.24 -0.23 0.00 0.00 178.00 178.98 3ic8 h VAL 197 N 1.16 1.22 -0.00 1.56 3.04 -1.96 -2.98 116.25 118.28 3ic8 h VAL 197 Ca 0.28 -0.83 0.00 0.00 -1.01 0.00 0.00 66.70 65.15 3ic8 h VAL 197 Cb 0.10 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 30.15 3ic8 h VAL 197 CO -0.04 0.30 -0.25 0.35 -1.01 0.00 0.00 177.57 176.92 3ic8 n THR 198 N -4.27 0.00 0.26 3.17 -2.24 -1.02 -4.27 114.28 105.91 3ic8 n THR 198 Ca 0.03 -0.02 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 3ic8 n THR 198 Cb 0.24 -0.03 0.72 0.00 -2.10 0.00 0.00 70.33 69.15 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 3.20 1.39 0.00 6.98 0.00 -1.35 -2.78 119.26 126.69 3ic8 h ALA 199 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3ic8 h ALA 199 Cb 0.47 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3ic8 h ALA 199 CO 0.00 0.14 -0.12 -1.35 0.00 0.00 0.00 179.25 177.92 3ic8 h PRO 200 N 0.00 0.00 -0.54 0.00 0.11 -1.78 -0.16 132.00 129.63 3ic8 h PRO 200 Ca -0.00 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 3ic8 h PRO 200 Cb 0.29 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.37 3ic8 h PRO 200 CO 0.01 0.12 0.14 0.74 -0.21 0.00 0.00 178.00 178.80 3ic8 h PHE 201 N 0.00 0.84 -0.03 0.65 0.04 -1.81 0.28 116.94 116.91 3ic8 h PHE 201 Ca -0.00 -0.07 -0.11 0.00 2.80 0.00 0.00 57.97 60.58 3ic8 h PHE 201 Cb 0.31 -0.25 0.01 0.00 2.20 0.00 0.00 35.95 38.22 3ic8 h PHE 201 CO 0.00 0.70 -0.43 0.28 -0.60 0.00 0.00 178.31 178.26 3ic8 h VAL 202 N 0.79 1.45 -0.35 -0.55 2.07 -1.60 -3.41 116.25 114.65 3ic8 h VAL 202 Ca 0.18 -1.92 -0.06 0.00 0.82 0.00 0.00 66.70 65.71 3ic8 h VAL 202 Cb 0.28 2.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.55 3ic8 h VAL 202 CO -0.00 0.55 -0.06 0.44 0.02 0.00 0.00 177.57 178.52 3ic8 h ASP 203 N -0.19 0.54 0.34 0.57 3.32 -0.64 -2.78 116.42 117.58 3ic8 h ASP 203 Ca -0.04 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.88 3ic8 h ASP 203 Cb 1.13 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.53 3ic8 h ASP 203 CO 0.09 0.65 0.00 0.44 -1.72 0.00 0.00 179.24 178.70 3ic8 h ASP 204 N 0.53 0.00 -4.12 6.45 3.32 -0.68 -3.24 116.42 118.68 3ic8 h ASP 204 Ca 0.10 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.50 3ic8 h ASP 204 Cb 0.43 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.58 3ic8 h ASP 204 CO 0.02 0.00 -0.54 -0.31 -1.72 0.00 0.00 179.24 176.69 3ic8 s TYR 205 N -3.80 3.31 0.42 4.55 1.51 -1.05 -4.96 117.35 117.33 3ic8 s TYR 205 Ca -0.02 -3.10 0.24 0.00 -1.01 0.00 0.00 57.07 53.18 3ic8 s TYR 205 Cb 0.10 -2.90 1.33 0.00 -0.11 0.00 0.00 41.96 40.38 3ic8 s TYR 205 CO 0.39 -0.73 2.05 -1.35 -1.11 0.00 0.00 175.55 174.79 3ic8 h PRO 206 N 6.43 0.00 0.00 -1.71 0.10 -1.77 -3.14 132.00 131.90 3ic8 h PRO 206 Ca -0.02 0.00 -0.03 0.00 0.10 0.00 0.00 66.00 66.05 3ic8 h PRO 206 Cb 0.88 0.00 -0.00 0.00 0.10 0.00 0.00 31.00 31.98 3ic8 h PRO 206 CO 0.71 0.14 -0.14 0.66 0.10 0.00 0.00 178.00 179.47 3ic8 h SER 207 N 0.00 0.00 0.94 -2.05 4.64 -1.92 -2.99 113.55 112.16 3ic8 h SER 207 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ic8 h SER 207 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3ic8 h SER 207 CO 0.02 0.14 0.00 -0.37 -0.87 0.00 0.00 176.83 175.75 3ic8 h VAL 208 N 0.00 0.00 -0.73 0.95 -1.51 -1.91 -3.35 116.25 109.70 3ic8 h VAL 208 Ca -0.00 -0.39 -0.06 0.00 -1.23 0.00 0.00 66.70 65.02 3ic8 h VAL 208 Cb 0.32 1.26 -0.03 0.00 -2.13 0.00 0.00 31.29 30.72 3ic8 h VAL 208 CO 0.02 0.00 0.23 0.77 -1.23 0.00 0.00 177.57 177.36 3ic8 h SER 209 N 0.00 1.05 -0.22 4.19 4.64 -1.75 -0.73 113.55 120.72 3ic8 h SER 209 Ca 0.00 -0.19 -0.01 0.00 -0.47 0.00 0.00 61.79 61.12 3ic8 h SER 209 Cb 0.47 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 3ic8 h SER 209 CO 0.00 0.97 0.10 0.58 -0.87 0.00 0.00 176.83 177.61 3ic8 h VAL 210 N 1.08 1.15 -0.80 0.95 2.07 -1.81 0.52 116.25 119.42 3ic8 h VAL 210 Ca 0.24 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 3ic8 h VAL 210 Cb 0.29 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 3ic8 h VAL 210 CO -0.01 0.15 0.31 -0.25 0.02 0.00 0.00 177.57 177.80 3ic8 h TRP 211 N 0.22 1.21 -0.56 1.57 7.01 -1.78 -2.81 115.95 120.81 3ic8 h TRP 211 Ca 0.07 -0.09 -0.04 0.00 2.11 0.00 0.00 58.89 60.94 3ic8 h TRP 211 Cb 0.15 -0.36 -0.02 0.00 -2.10 0.00 0.00 29.16 26.82 3ic8 h TRP 211 CO -0.02 0.92 0.18 1.25 -2.79 0.00 0.00 178.44 177.98 3ic8 h LEU 212 N 1.16 0.81 -0.79 0.65 5.85 -0.76 -2.06 115.31 120.16 3ic8 h LEU 212 Ca 0.27 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 3ic8 h LEU 212 Cb 0.22 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 3ic8 h LEU 212 CO -0.02 0.80 0.38 0.44 -0.34 0.00 0.00 178.44 179.69 3ic8 h ASP 213 N 0.78 1.04 -0.55 1.25 3.32 -0.85 -1.94 116.42 119.47 3ic8 h ASP 213 Ca 0.18 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 3ic8 h ASP 213 Cb 0.27 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3ic8 h ASP 213 CO -0.01 0.88 0.15 -0.09 -1.72 0.00 0.00 179.24 178.46 3ic8 h ARG 214 N 1.12 0.86 -0.37 3.56 2.43 -1.22 0.39 114.38 121.15 3ic8 h ARG 214 Ca 0.27 -0.19 -0.07 0.00 -0.81 0.00 0.00 59.98 59.18 3ic8 h ARG 214 Cb 0.12 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3ic8 h ARG 214 CO -0.03 0.79 -0.04 0.28 -1.51 0.00 0.00 179.97 179.46 3ic8 h VAL 215 N 0.76 1.27 0.00 0.20 2.07 -1.17 -2.79 116.25 116.59 3ic8 h VAL 215 Ca 0.17 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.62 3ic8 h VAL 215 Cb 0.31 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3ic8 h VAL 215 CO -0.00 0.36 0.00 -0.07 0.02 0.00 0.00 177.57 177.87 3ic8 h LEU 216 N 0.49 0.00 -1.85 2.57 4.07 -1.26 -3.03 115.31 116.30 3ic8 h LEU 216 Ca 0.10 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.03 3ic8 h LEU 216 Cb 0.53 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.26 3ic8 h LEU 216 CO 0.03 0.00 -0.13 1.23 -1.08 0.00 0.00 178.44 178.49 3ic8 h GLY 217 N 2.11 0.00 1.66 0.83 0.00 -0.62 -2.97 103.07 104.08 3ic8 h GLY 217 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3ic8 h GLY 217 CO 0.00 0.00 -0.00 0.74 0.00 0.00 0.00 176.54 177.28 3ic8 h PHE 218 N 0.00 0.44 -0.13 5.60 0.04 -1.65 -3.49 116.94 117.76 3ic8 h PHE 218 Ca -0.00 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.73 3ic8 h PHE 218 Cb 0.36 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.38 3ic8 h PHE 218 CO 0.00 0.45 0.00 0.41 -0.60 0.00 0.00 178.31 178.57 3ic8 n GLY 219 N -0.97 -1.11 0.05 -1.45 0.00 -1.13 -4.40 105.19 96.19 3ic8 n GLY 219 Ca 0.01 -1.23 0.10 0.00 0.00 0.00 0.00 46.02 44.89 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 0.00 0.00 -3.73 1.61 8.25 -1.26 -3.95 115.22 116.14 3ic8 n HIS 220 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3ic8 n HIS 220 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3ic8 n HIS 220 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ic8 n GLY 221 N 1.47 -1.28 3.53 -1.41 0.00 -1.26 -3.55 105.19 102.69 3ic8 n GLY 221 Ca 0.04 -1.32 -0.38 0.00 0.00 0.00 0.00 46.02 44.37 3ic8 n GLY 221 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ic8 s SER 222 N -4.00 5.71 0.02 1.61 0.15 -1.26 -5.01 113.70 110.92 3ic8 s SER 222 Ca 0.00 -0.11 0.05 0.00 0.70 0.00 0.00 55.95 56.58 3ic8 s SER 222 Cb 0.00 -2.05 -0.02 0.00 -1.71 0.00 0.00 66.02 62.24 3ic8 s SER 222 CO 0.00 -0.06 -0.14 -1.48 1.20 0.00 0.00 173.24 172.76 3ic8 s LEU 223 N 1.70 2.12 0.01 3.45 2.34 -1.26 -0.62 118.68 126.43 3ic8 s LEU 223 Ca 0.07 -0.38 0.01 0.00 0.06 0.00 0.00 54.13 53.88 3ic8 s LEU 223 Cb -0.16 -0.64 -0.01 0.00 -0.56 0.00 0.00 46.19 44.82 3ic8 s LEU 223 CO 0.08 0.08 -0.04 -0.94 -1.06 0.00 0.00 176.35 174.48 3ic8 s SER 224 N -0.85 0.38 0.44 1.48 1.04 -0.92 -4.95 113.70 110.32 3ic8 s SER 224 Ca 0.03 -0.27 -0.25 0.00 0.48 0.00 0.00 55.95 55.93 3ic8 s SER 224 Cb -0.07 0.02 -0.08 0.00 0.10 0.00 0.00 66.02 65.99 3ic8 s SER 224 CO 0.01 -0.11 1.34 -1.81 0.98 0.00 0.00 173.24 173.65 3ic8 s ASP 225 N -0.76 6.06 -0.01 7.02 1.01 -1.26 -0.75 116.67 127.98 3ic8 s ASP 225 Ca -0.06 2.74 0.02 0.00 0.71 0.00 0.00 52.55 55.96 3ic8 s ASP 225 Cb -0.05 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.24 3ic8 s ASP 225 CO -0.00 -1.03 -0.07 -0.22 0.21 0.00 0.00 175.17 174.06 3ic8 s LEU 226 N -2.66 1.86 0.52 1.23 2.96 -0.45 -4.71 118.68 117.44 3ic8 s LEU 226 Ca 0.60 -0.13 -0.19 0.00 -0.22 0.00 0.00 54.13 54.19 3ic8 s LEU 226 Cb -0.40 -0.39 -0.07 0.00 0.50 0.00 0.00 46.19 45.84 3ic8 s LEU 226 CO 0.51 0.06 1.07 -0.94 -1.32 0.00 0.00 176.35 175.73 3ic8 s SER 227 N 0.07 6.03 0.34 3.68 1.04 -1.26 -4.03 113.70 119.57 3ic8 s SER 227 Ca -0.01 1.99 0.04 0.00 0.48 0.00 0.00 55.95 58.45 3ic8 s SER 227 Cb -0.05 -2.56 0.62 0.00 0.10 0.00 0.00 66.02 64.12 3ic8 s SER 227 CO -0.00 -1.00 1.91 0.77 0.98 0.00 0.00 173.24 175.90 3ic8 h SER 228 N 1.24 0.55 -0.28 7.02 4.64 -1.96 -1.61 113.55 123.14 3ic8 h SER 228 Ca -0.49 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 60.74 3ic8 h SER 228 Cb 1.23 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 3ic8 h SER 228 CO 0.58 0.55 0.15 0.00 -0.87 0.00 0.00 176.83 177.24 3ic8 h ALA 229 N 1.53 0.37 -0.46 5.18 0.00 -1.96 -2.30 119.26 121.61 3ic8 h ALA 229 Ca 0.14 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3ic8 h ALA 229 Cb 0.22 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3ic8 h ALA 229 CO -0.00 -0.09 0.21 0.00 0.00 0.00 0.00 179.25 179.36 3ic8 h ALA 230 N 1.02 1.50 -0.62 0.00 0.00 -1.83 -2.62 119.26 116.70 3ic8 h ALA 230 Ca 0.10 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3ic8 h ALA 230 Cb 0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3ic8 h ALA 230 CO -0.01 0.40 0.12 0.00 0.00 0.00 0.00 179.25 179.76 3ic8 h ALA 231 N 1.58 1.04 -0.56 0.00 0.00 -0.91 -2.24 119.26 118.17 3ic8 h ALA 231 Ca 0.16 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3ic8 h ALA 231 Cb 0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3ic8 h ALA 231 CO -0.02 0.62 0.11 0.82 0.00 0.00 0.00 179.25 180.78 3ic8 h ILE 232 N 0.94 1.25 -0.68 0.00 2.04 -1.06 -2.39 117.51 117.61 3ic8 h ILE 232 Ca 0.20 -0.93 -0.04 0.00 1.00 0.00 0.00 64.86 65.08 3ic8 h ILE 232 Cb 0.38 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 3ic8 h ILE 232 CO 0.01 0.34 0.25 -0.08 0.00 0.00 0.00 178.15 178.66 3ic8 h GLU 233 N 0.81 1.01 -0.71 2.37 4.57 -1.41 0.43 114.58 121.66 3ic8 h GLU 233 Ca 0.17 -0.18 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 3ic8 h GLU 233 Cb 0.38 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.77 3ic8 h GLU 233 CO 0.01 0.84 0.37 0.82 -1.18 0.00 0.00 179.01 179.87 3ic8 h ILE 234 N 0.99 1.22 -0.55 2.32 2.04 -1.05 -1.52 117.51 120.96 3ic8 h ILE 234 Ca 0.23 -0.58 -0.10 0.00 1.00 0.00 0.00 64.86 65.41 3ic8 h ILE 234 Cb 0.23 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 3ic8 h ILE 234 CO -0.02 0.25 -0.03 0.00 0.00 0.00 0.00 178.15 178.35 3ic8 h ALA 235 N 1.19 0.75 -0.48 1.87 0.00 -0.99 -2.70 119.26 118.90 3ic8 h ALA 235 Ca 0.25 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3ic8 h ALA 235 Cb 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3ic8 h ALA 235 CO -0.04 0.60 0.15 1.03 0.00 0.00 0.00 179.25 181.00 3ic8 h SER 236 N 0.88 0.69 0.34 0.00 0.87 -0.52 -2.82 113.55 112.98 3ic8 h SER 236 Ca 0.15 -0.20 -0.06 0.00 -1.23 0.00 0.00 61.79 60.45 3ic8 h SER 236 Cb 0.58 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 3ic8 h SER 236 CO 0.03 0.71 -0.27 0.78 -0.53 0.00 0.00 176.83 177.55 3ic8 h ASN 237 N 0.63 0.00 -3.45 6.23 2.35 -1.34 -3.46 115.58 116.54 3ic8 h ASN 237 Ca 0.15 0.00 -0.45 0.00 -0.55 0.00 0.00 56.30 55.45 3ic8 h ASN 237 Cb 0.26 0.00 0.07 0.00 0.05 0.00 0.00 38.32 38.70 3ic8 h ASN 237 CO -0.01 0.27 0.16 0.00 -1.65 0.00 0.00 177.43 176.21 3ic8 s ALA 238 N -4.30 3.35 0.05 -0.83 0.00 -1.02 -5.10 121.76 113.92 3ic8 s ALA 238 Ca -0.03 -0.99 0.07 0.00 0.00 0.00 0.00 51.96 51.01 3ic8 s ALA 238 Cb 0.14 -2.48 -0.03 0.00 0.00 0.00 0.00 23.12 20.76 3ic8 s ALA 238 CO 0.69 -1.11 -0.19 0.95 0.00 0.00 0.00 175.76 176.10 3ic8 s THR 239 N -3.10 1.55 0.63 0.00 -4.23 -1.26 -4.77 115.64 104.46 3ic8 s THR 239 Ca 0.59 -1.22 -0.18 0.00 -1.18 0.00 0.00 61.69 59.69 3ic8 s THR 239 Cb -0.11 -1.37 -0.02 0.00 1.34 0.00 0.00 72.50 72.35 3ic8 s THR 239 CO 0.43 0.11 1.24 -2.84 -0.54 0.00 0.00 174.62 173.02 3ic8 s PRO 240 N -1.31 2.73 0.84 3.99 0.02 -1.26 -4.60 135.00 135.40 3ic8 s PRO 240 Ca 0.06 1.91 -0.11 0.00 0.02 0.00 0.00 61.00 62.88 3ic8 s PRO 240 Cb -0.09 -1.89 0.09 0.00 0.02 0.00 0.00 34.50 32.64 3ic8 s PRO 240 CO 0.02 -1.42 1.09 0.00 -0.33 0.00 0.00 177.00 176.36 3ic8 s ALA 241 N -1.55 1.89 0.48 -1.55 0.00 -1.26 -4.92 121.76 114.84 3ic8 s ALA 241 Ca 0.79 0.09 -0.24 0.00 0.00 0.00 0.00 51.96 52.61 3ic8 s ALA 241 Cb -0.33 -3.23 -0.07 0.00 0.00 0.00 0.00 23.12 19.49 3ic8 s ALA 241 CO 0.37 -2.07 1.33 -2.14 0.00 0.00 0.00 175.76 173.24 3ic8 s PRO 242 N -4.92 3.56 0.68 0.00 0.02 -1.26 -4.96 135.00 128.12 3ic8 s PRO 242 Ca 0.62 2.18 -0.14 0.00 0.02 0.00 0.00 61.00 63.68 3ic8 s PRO 242 Cb -0.18 -2.48 0.01 0.00 0.02 0.00 0.00 34.50 31.87 3ic8 s PRO 242 CO 0.56 -0.84 1.10 -0.51 -0.33 0.00 0.00 177.00 176.99 3ic8 s LEU 243 N -3.01 3.30 0.42 -5.54 1.43 -1.26 -4.98 118.68 109.04 3ic8 s LEU 243 Ca 0.64 1.93 -0.25 0.00 -1.03 0.00 0.00 54.13 55.43 3ic8 s LEU 243 Cb -0.38 -4.54 -0.08 0.00 0.03 0.00 0.00 46.19 41.21 3ic8 s LEU 243 CO 0.48 -1.69 1.23 -2.84 0.23 0.00 0.00 176.35 173.76 3ic8 s PRO 244 N -4.32 3.93 -1.31 1.29 0.02 -1.26 -4.94 135.00 128.41 3ic8 s PRO 244 Ca 0.65 1.97 -0.13 0.00 0.02 0.00 0.00 61.00 63.51 3ic8 s PRO 244 Cb -0.19 -2.64 0.12 0.00 0.02 0.00 0.00 34.50 31.81 3ic8 s PRO 244 CO 0.45 -0.47 1.85 -3.47 -0.33 0.00 0.00 177.00 175.04 3ic8 n ASP 245 N -0.05 4.80 -3.99 2.53 4.64 -1.26 -4.92 116.55 118.31 3ic8 n ASP 245 Ca 0.05 -2.99 -0.21 0.00 -1.38 0.00 0.00 54.79 50.26 3ic8 n ASP 245 Cb 0.46 -1.58 -0.16 0.00 -1.04 0.00 0.00 41.12 38.80 3ic8 n ASP 245 CO 0.00 0.00 0.00 -0.70 -0.82 0.00 0.00 177.20 175.68 3ic8 s GLU 246 N 1.84 1.08 -0.19 -0.67 2.12 -1.26 -5.11 118.70 116.52 3ic8 s GLU 246 Ca 0.44 -0.29 -0.08 0.00 0.36 0.00 0.00 54.97 55.40 3ic8 s GLU 246 Cb 0.07 -0.99 -0.04 0.00 0.26 0.00 0.00 34.13 33.44 3ic8 s GLU 246 CO -0.01 0.06 0.07 0.95 -0.54 0.00 0.00 175.26 175.79 3ic8 s THR 247 N 0.41 4.86 -0.07 -1.70 -4.23 -1.26 -5.02 115.64 108.64 3ic8 s THR 247 Ca -0.07 -0.01 -0.08 0.00 -1.18 0.00 0.00 61.69 60.35 3ic8 s THR 247 Cb -0.11 -3.20 0.02 0.00 1.34 0.00 0.00 72.50 70.55 3ic8 s THR 247 CO 0.01 0.46 0.22 0.12 -0.54 0.00 0.00 174.62 174.89 3ic8 s PHE 248 N 0.38 -0.20 -0.36 3.99 5.36 -1.26 -5.04 117.98 120.85 3ic8 s PHE 248 Ca 0.04 0.48 -0.14 0.00 -0.96 0.00 0.00 56.93 56.35 3ic8 s PHE 248 Cb -0.12 0.07 -0.01 0.00 -0.34 0.00 0.00 43.02 42.62 3ic8 s PHE 248 CO -0.00 -0.17 0.27 0.42 -1.46 0.00 0.00 175.22 174.28 3ic8 s ILE 249 N -0.21 5.27 0.21 3.12 1.01 -1.26 -4.98 121.20 124.36 3ic8 s ILE 249 Ca -0.03 -0.30 -0.31 0.00 0.00 0.00 0.00 60.65 60.01 3ic8 s ILE 249 Cb -0.03 -3.78 -0.10 0.00 0.01 0.00 0.00 42.46 38.57 3ic8 s ILE 249 CO 0.01 -0.09 1.51 -0.62 0.00 0.00 0.00 174.94 175.75 3ic8 s ASP 250 N 1.72 6.61 0.39 3.58 -1.08 -1.26 -4.89 116.67 121.73 3ic8 s ASP 250 Ca 0.06 2.65 0.13 0.00 -0.52 0.00 0.00 52.55 54.87 3ic8 s ASP 250 Cb -0.18 -2.61 0.80 0.00 -1.46 0.00 0.00 42.92 39.47 3ic8 s ASP 250 CO 0.11 -0.77 1.88 -0.65 0.52 0.00 0.00 175.17 176.25 3ic8 h PRO 251 N 5.92 0.02 -0.57 4.34 0.11 -1.96 -2.25 132.00 137.61 3ic8 h PRO 251 Ca -0.44 -0.01 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 0.85 0.32 0.00 0.09 -0.21 0.00 0.00 178.00 179.05 3ic8 n ASN 252 N -4.17 3.98 0.00 -2.05 4.13 -1.26 -4.97 115.26 110.91 3ic8 n ASN 252 Ca -0.02 -2.24 0.00 0.00 1.68 0.00 0.00 54.58 54.00 3ic8 n ASN 252 Cb 0.35 -0.46 0.00 0.00 -1.54 0.00 0.00 39.78 38.13 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 0.99 0.50 3.77 7.41 0.00 -0.85 -5.03 105.19 111.99 3ic8 n GLY 253 Ca 0.21 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 2.67 0.05 1.61 0.08 -1.26 -4.97 117.98 114.16 3ic8 s PHE 254 Ca 0.00 1.54 0.01 0.00 0.12 0.00 0.00 56.93 58.61 3ic8 s PHE 254 Cb 0.00 -3.28 -0.03 0.00 -0.57 0.00 0.00 43.02 39.14 3ic8 s PHE 254 CO 0.00 -1.57 -0.06 0.21 -0.10 0.00 0.00 175.22 173.70 3ic8 s LYS 255 N -3.33 0.56 0.37 0.44 2.20 -1.26 -4.56 119.74 114.15 3ic8 s LYS 255 Ca 0.72 -0.90 -0.28 0.00 -0.36 0.00 0.00 55.97 55.15 3ic8 s LYS 255 Cb -0.24 -0.15 -0.11 0.00 -1.51 0.00 0.00 37.83 35.83 3ic8 s LYS 255 CO 0.28 -0.00 1.44 0.00 -0.36 0.00 0.00 175.35 176.71 3ic8 s ALA 256 N -2.14 3.55 0.00 3.13 0.00 -1.26 -1.20 121.76 123.84 3ic8 s ALA 256 Ca -0.05 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.41 3ic8 s ALA 256 Cb -0.05 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.49 3ic8 s ALA 256 CO -0.02 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.19 3ic8 n GLY 257 N 0.54 1.19 3.77 0.00 0.00 -0.41 -5.02 105.19 105.26 3ic8 n GLY 257 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.28 5.77 -0.20 1.61 1.11 -0.34 -4.76 116.67 117.58 3ic8 s ASP 258 Ca 0.00 2.30 -0.07 0.00 0.18 0.00 0.00 52.55 54.96 3ic8 s ASP 258 Cb 0.00 -2.60 -0.03 0.00 1.07 0.00 0.00 42.92 41.36 3ic8 s ASP 258 CO 0.00 -1.19 0.05 -0.54 1.18 0.00 0.00 175.17 174.67 3ic8 s LYS 259 N -3.05 3.78 0.23 8.23 1.02 -1.26 -0.72 119.74 127.97 3ic8 s LYS 259 Ca 0.70 -0.43 -0.06 0.00 0.02 0.00 0.00 55.97 56.20 3ic8 s LYS 259 Cb -0.28 -3.20 -0.02 0.00 -0.52 0.00 0.00 37.83 33.81 3ic8 s LYS 259 CO 0.32 0.08 0.30 0.14 -0.92 0.00 0.00 175.35 175.27 3ic8 s VAL 260 N 0.88 0.00 -0.00 3.17 -7.23 -0.42 -4.27 120.40 112.53 3ic8 s VAL 260 Ca 0.03 -1.73 0.05 0.00 -1.81 0.00 0.00 61.98 58.52 3ic8 s VAL 260 Cb -0.14 -2.38 -0.01 0.00 0.56 0.00 0.00 36.38 34.40 3ic8 s VAL 260 CO 0.02 0.00 -0.16 0.00 -0.31 0.00 0.00 175.10 174.66 3ic8 s ALA 261 N -4.02 1.31 -0.12 1.32 0.00 -0.59 -0.80 121.76 118.86 3ic8 s ALA 261 Ca 0.32 -0.71 0.03 0.00 0.00 0.00 0.00 51.96 51.60 3ic8 s ALA 261 Cb 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.84 3ic8 s ALA 261 CO 0.12 0.31 -0.23 0.42 0.00 0.00 0.00 175.76 176.38 3ic8 s ILE 262 N -0.43 2.04 0.10 0.00 1.01 -0.00 -1.14 121.20 122.77 3ic8 s ILE 262 Ca 0.06 -0.99 0.03 0.00 0.00 0.00 0.00 60.65 59.75 3ic8 s ILE 262 Cb -0.06 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 3ic8 s ILE 262 CO -0.00 0.55 -0.09 0.00 0.00 0.00 0.00 174.94 175.40 3ic8 s ALA 263 N 0.54 1.09 0.56 9.38 0.00 -0.64 -2.69 121.76 130.00 3ic8 s ALA 263 Ca -0.14 -1.23 -0.20 0.00 0.00 0.00 0.00 51.96 50.39 3ic8 s ALA 263 Cb -0.17 0.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.96 3ic8 s ALA 263 CO 0.04 -0.08 1.19 0.00 0.00 0.00 0.00 175.76 176.91 3ic8 s ALA 264 N -2.73 2.64 0.23 0.00 0.00 -1.26 0.13 121.76 120.78 3ic8 s ALA 264 Ca 0.07 0.98 -0.03 0.00 0.00 0.00 0.00 51.96 52.98 3ic8 s ALA 264 Cb -0.01 -3.43 0.25 0.00 0.00 0.00 0.00 23.12 19.93 3ic8 s ALA 264 CO -0.01 -1.03 1.69 -0.24 0.00 0.00 0.00 175.76 176.17 3ic8 h VAL 265 N 1.11 1.26 -2.63 0.00 3.04 -1.61 -3.05 116.25 114.37 3ic8 h VAL 265 Ca -0.50 -1.19 -0.74 0.00 -1.01 0.00 0.00 66.70 63.26 3ic8 h VAL 265 Cb 1.28 1.06 -0.33 0.00 -2.01 0.00 0.00 31.29 31.30 3ic8 h VAL 265 CO 0.56 0.41 0.32 0.47 -1.01 0.00 0.00 177.57 178.32 3ic8 n ASP 266 N -4.16 5.59 0.00 3.17 9.92 -1.26 -5.03 116.55 124.78 3ic8 n ASP 266 Ca 0.01 -3.45 0.00 0.00 -0.53 0.00 0.00 54.79 50.82 3ic8 n ASP 266 Cb 0.37 -1.05 0.00 0.00 -0.64 0.00 0.00 41.12 39.80 3ic8 n ASP 266 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 3ic8 n TYR 267 N 1.03 0.00 -2.37 1.24 4.02 -1.15 -5.26 117.16 114.67 3ic8 n TYR 267 Ca 0.29 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 58.11 3ic8 n TYR 267 Cb 0.35 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.71 3ic8 n TYR 267 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 3ic8 n GLU 270 N 0.00 -1.68 -4.33 -0.72 -0.00 -1.26 -4.61 120.64 108.04 3ic8 n GLU 270 Ca 0.00 0.35 -0.34 0.00 -0.00 0.00 0.00 57.16 57.17 3ic8 n GLU 270 Cb 0.00 -3.52 -0.12 0.00 -0.00 0.00 0.00 31.44 27.79 3ic8 n GLU 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3ic8 s ALA 271 N -3.15 2.98 0.32 -1.84 0.00 -1.26 -4.69 121.76 114.11 3ic8 s ALA 271 Ca 0.11 -0.87 -0.27 0.00 0.00 0.00 0.00 51.96 50.93 3ic8 s ALA 271 Cb -0.01 -1.59 -0.10 0.00 0.00 0.00 0.00 23.12 21.42 3ic8 s ALA 271 CO 0.30 0.12 0.98 0.54 0.00 0.00 0.00 175.76 177.69 3ic8 s VAL 272 N 0.53 4.02 -0.00 0.00 0.11 -1.10 -4.83 120.40 119.14 3ic8 s VAL 272 Ca -0.03 1.75 0.06 0.00 -2.93 0.00 0.00 61.98 60.83 3ic8 s VAL 272 Cb -0.14 -4.00 -0.03 0.00 -1.53 0.00 0.00 36.38 30.68 3ic8 s VAL 272 CO 0.03 0.20 -0.20 -1.61 -3.33 0.00 0.00 175.10 170.19 3ic8 s GLU 273 N -1.91 2.18 0.00 1.54 2.02 -1.26 -0.82 118.70 120.44 3ic8 s GLU 273 Ca 0.49 -0.90 0.00 0.00 0.02 0.00 0.00 54.97 54.59 3ic8 s GLU 273 Cb -0.22 -2.19 0.00 0.00 0.10 0.00 0.00 34.13 31.82 3ic8 s GLU 273 CO 0.28 0.57 0.00 0.41 0.02 0.00 0.00 175.26 176.53 3ic8 n GLY 274 N 2.01 0.62 3.66 -1.39 0.00 0.02 -4.78 105.19 105.33 3ic8 n GLY 274 Ca -0.16 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 44.86 3ic8 n GLY 274 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ic8 s GLU 275 N 0.19 3.99 0.61 1.61 2.12 0.07 -1.29 118.70 125.99 3ic8 s GLU 275 Ca 0.00 -0.32 -0.09 0.00 0.36 0.00 0.00 54.97 54.92 3ic8 s GLU 275 Cb 0.00 -3.24 -0.02 0.00 0.26 0.00 0.00 34.13 31.13 3ic8 s GLU 275 CO 0.00 0.30 0.97 -1.17 -0.54 0.00 0.00 175.26 174.83 3ic8 s LEU 276 N 0.30 3.22 0.38 2.70 1.98 0.11 0.60 118.68 127.97 3ic8 s LEU 276 Ca 0.04 1.11 -0.27 0.00 -2.89 0.00 0.00 54.13 52.12 3ic8 s LEU 276 Cb -0.12 -4.02 -0.11 0.00 0.66 0.00 0.00 46.19 42.59 3ic8 s LEU 276 CO -0.00 -0.98 1.36 0.33 -1.89 0.00 0.00 176.35 175.17 3ic8 n PHE 278 N -2.69 2.52 -4.51 5.38 7.35 -1.06 -1.29 117.46 123.16 3ic8 n PHE 278 Ca 0.05 0.50 -0.28 0.00 -0.76 0.00 0.00 57.45 56.96 3ic8 n PHE 278 Cb 0.56 -2.45 -0.17 0.00 0.35 0.00 0.00 39.48 37.77 3ic8 n PHE 278 CO 0.00 0.00 0.00 -0.08 -0.76 0.00 0.00 176.76 175.92 3ic8 s THR 279 N -1.13 1.48 0.26 -2.13 -1.32 -1.26 -1.06 115.64 110.47 3ic8 s THR 279 Ca 0.56 -0.64 -0.06 0.00 -1.21 0.00 0.00 61.69 60.35 3ic8 s THR 279 Cb -0.52 -1.35 -0.02 0.00 -1.51 0.00 0.00 72.50 69.11 3ic8 s THR 279 CO 0.62 0.44 0.35 -0.83 -2.21 0.00 0.00 174.62 172.98 3ic8 s GLY 280 N 0.91 1.14 0.37 6.08 0.00 0.32 -4.60 107.32 111.54 3ic8 s GLY 280 Ca -0.08 -1.36 0.07 0.00 0.00 0.00 0.00 44.72 43.35 3ic8 s GLY 280 CO -0.00 -1.01 1.93 3.21 0.00 0.00 0.00 173.10 177.22 3ic8 h ARG 281 N 2.34 0.42 -0.00 2.90 3.08 -1.99 -3.13 114.38 118.01 3ic8 h ARG 281 Ca -0.30 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.67 3ic8 h ARG 281 Cb 1.25 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.23 3ic8 h ARG 281 CO 0.42 0.45 -0.28 0.39 -1.07 0.00 0.00 179.97 179.88 3ic8 n GLU 282 N -4.32 3.39 -3.75 0.04 -0.58 -1.26 -4.80 120.64 109.36 3ic8 n GLU 282 Ca 0.01 -0.25 -0.13 0.00 -0.42 0.00 0.00 57.16 56.36 3ic8 n GLU 282 Cb 0.22 -0.94 -0.09 0.00 -0.57 0.00 0.00 31.44 30.06 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 -1.49 0.66 -0.03 3.49 2.12 -1.18 -3.72 118.70 118.55 3ic8 s GLU 283 Ca 0.05 -0.13 0.04 0.00 0.36 0.00 0.00 54.97 55.29 3ic8 s GLU 283 Cb 0.06 0.29 -0.01 0.00 0.26 0.00 0.00 34.13 34.74 3ic8 s GLU 283 CO 0.27 -0.18 -0.15 -0.51 -0.54 0.00 0.00 175.26 174.15 3ic8 s LEU 284 N -1.21 1.94 -0.07 2.70 1.43 0.17 -0.52 118.68 123.12 3ic8 s LEU 284 Ca -0.12 -0.30 0.05 0.00 -1.03 0.00 0.00 54.13 52.73 3ic8 s LEU 284 Cb -0.05 -0.84 -0.01 0.00 0.03 0.00 0.00 46.19 45.32 3ic8 s LEU 284 CO 0.04 0.16 -0.25 -0.63 0.23 0.00 0.00 176.35 175.90 3ic8 s ILE 285 N -0.11 2.06 -0.10 -0.59 1.01 -0.22 -1.95 121.20 121.29 3ic8 s ILE 285 Ca 0.00 -1.05 0.04 0.00 0.00 0.00 0.00 60.65 59.64 3ic8 s ILE 285 Cb -0.09 -1.75 0.00 0.00 0.01 0.00 0.00 42.46 40.63 3ic8 s ILE 285 CO 0.01 0.57 -0.23 -0.22 0.00 0.00 0.00 174.94 175.06 3ic8 s LEU 286 N -0.00 2.07 -0.17 2.97 0.20 -0.65 -2.57 118.68 120.52 3ic8 s LEU 286 Ca -0.08 -0.55 -0.09 0.00 0.69 0.00 0.00 54.13 54.09 3ic8 s LEU 286 Cb -0.15 -1.39 -0.05 0.00 -0.43 0.00 0.00 46.19 44.17 3ic8 s LEU 286 CO 0.05 0.14 0.15 -0.60 -0.29 0.00 0.00 176.35 175.80 3ic8 s ARG 287 N 0.43 3.94 0.08 1.98 3.52 0.20 -0.86 118.95 128.23 3ic8 s ARG 287 Ca -0.17 -0.16 -0.03 0.00 -0.13 0.00 0.00 55.73 55.23 3ic8 s ARG 287 Cb -0.18 -3.34 -0.03 0.00 -1.56 0.00 0.00 34.95 29.85 3ic8 s ARG 287 CO 0.07 0.46 0.06 -0.98 -0.81 0.00 0.00 175.30 174.10 3ic8 s ARG 288 N -0.12 0.74 0.01 5.12 1.70 -0.97 -0.75 118.95 124.68 3ic8 s ARG 288 Ca 0.11 -1.18 0.07 0.00 -0.47 0.00 0.00 55.73 54.27 3ic8 s ARG 288 Cb -0.12 0.26 -0.02 0.00 -0.57 0.00 0.00 34.95 34.50 3ic8 s ARG 288 CO 0.01 -0.19 -0.23 -1.21 -1.08 0.00 0.00 175.30 172.60 3ic8 s GLU 289 N -3.92 1.70 0.03 3.89 2.02 -1.26 -1.69 118.70 119.46 3ic8 s GLU 289 Ca 0.09 -0.90 0.01 0.00 0.02 0.00 0.00 54.97 54.20 3ic8 s GLU 289 Cb 0.07 -1.73 -0.02 0.00 0.10 0.00 0.00 34.13 32.55 3ic8 s GLU 289 CO -0.08 0.46 -0.06 0.34 0.02 0.00 0.00 175.26 175.94 3ic8 s ASP 290 N -0.85 0.65 0.04 -0.19 2.15 -0.73 -4.93 116.67 112.81 3ic8 s ASP 290 Ca 0.09 -0.52 -0.26 0.00 0.43 0.00 0.00 52.55 52.29 3ic8 s ASP 290 Cb -0.09 0.05 -0.17 0.00 -0.30 0.00 0.00 42.92 42.41 3ic8 s ASP 290 CO 0.00 -0.23 1.46 0.78 -0.17 0.00 0.00 175.17 177.01 3ic8 h ASN 291 N 4.60 -0.28 -0.01 -0.34 2.35 -1.93 0.16 115.58 120.13 3ic8 h ASN 291 Ca -0.34 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.27 3ic8 h ASN 291 Cb 1.20 0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.65 3ic8 h ASN 291 CO 0.41 -0.03 -0.03 0.03 -1.65 0.00 0.00 177.43 176.17 3ic8 h ARG 292 N -0.53 0.04 -0.41 0.81 3.08 -1.97 -3.37 114.38 112.02 3ic8 h ARG 292 Ca -0.03 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.92 3ic8 h ARG 292 Cb 0.39 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 3ic8 h ARG 292 CO 0.06 0.62 -0.05 0.00 -1.07 0.00 0.00 179.97 179.53 3ic8 h ALA 293 N 0.41 1.14 0.00 0.04 0.00 -1.82 -3.43 119.26 115.60 3ic8 h ALA 293 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3ic8 h ALA 293 Cb 0.63 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3ic8 h ALA 293 CO 0.01 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.21 3ic8 n GLY 294 N -0.63 -1.42 3.76 0.00 0.00 0.56 -2.90 105.19 104.56 3ic8 n GLY 294 Ca 0.02 -1.34 -0.41 0.00 0.00 0.00 0.00 46.02 44.29 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 2.73 -0.01 1.61 1.01 -1.26 -1.77 120.40 122.72 3ic8 s VAL 295 Ca 0.00 0.68 -0.09 0.00 0.00 0.00 0.00 61.98 62.58 3ic8 s VAL 295 Cb 0.00 -3.43 0.01 0.00 0.00 0.00 0.00 36.38 32.95 3ic8 s VAL 295 CO 0.00 0.14 0.17 -0.69 0.00 0.00 0.00 175.10 174.72 3ic8 s VAL 296 N -0.65 0.07 -0.14 2.92 1.01 -0.68 -4.85 120.40 118.09 3ic8 s VAL 296 Ca 0.53 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.91 3ic8 s VAL 296 Cb -0.40 -0.45 -0.01 0.00 0.00 0.00 0.00 36.38 35.51 3ic8 s VAL 296 CO 0.49 -0.33 -0.14 -1.00 0.00 0.00 0.00 175.10 174.12 3ic8 s HIS 297 N -1.26 2.79 -0.14 5.22 3.76 0.36 -2.30 115.29 123.72 3ic8 s HIS 297 Ca -0.13 -0.81 -0.02 0.00 -0.15 0.00 0.00 55.06 53.95 3ic8 s HIS 297 Cb -0.07 -1.86 -0.02 0.00 1.11 0.00 0.00 32.58 31.74 3ic8 s HIS 297 CO 0.02 -0.32 -0.08 0.08 -0.85 0.00 0.00 174.74 173.58 3ic8 s VAL 298 N 0.55 3.51 -0.15 -0.90 1.01 -0.04 -0.28 120.40 124.11 3ic8 s VAL 298 Ca -0.09 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 3ic8 s VAL 298 Cb -0.16 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 3ic8 s VAL 298 CO 0.04 0.52 -0.03 -1.00 0.00 0.00 0.00 175.10 174.62 3ic8 s HIS 299 N 0.23 3.03 0.04 5.22 3.76 0.17 -1.64 115.29 126.10 3ic8 s HIS 299 Ca -0.05 -0.26 0.06 0.00 -0.15 0.00 0.00 55.06 54.65 3ic8 s HIS 299 Cb -0.15 -1.95 -0.02 0.00 1.11 0.00 0.00 32.58 31.58 3ic8 s HIS 299 CO 0.04 0.00 -0.17 -0.06 -0.85 0.00 0.00 174.74 173.70 3ic8 s PHE 300 N 0.27 1.45 0.69 1.40 0.08 -0.82 -2.49 117.98 118.56 3ic8 s PHE 300 Ca -0.03 -0.36 -0.12 0.00 0.12 0.00 0.00 56.93 56.55 3ic8 s PHE 300 Cb -0.14 -0.86 0.01 0.00 -0.57 0.00 0.00 43.02 41.46 3ic8 s PHE 300 CO 0.03 0.06 1.07 -1.25 -0.10 0.00 0.00 175.22 175.02 3ic8 s PRO 301 N -1.13 2.85 0.10 0.24 0.04 -1.26 -0.66 135.00 135.19 3ic8 s PRO 301 Ca 0.04 1.05 -0.17 0.00 0.04 0.00 0.00 61.00 61.96 3ic8 s PRO 301 Cb -0.08 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 3ic8 s PRO 301 CO 0.01 -1.17 1.54 0.00 0.04 0.00 0.00 177.00 177.42 3ic8 h ARG 302 N -0.60 0.54 -6.62 4.56 3.08 -1.87 -3.40 114.38 110.06 3ic8 h ARG 302 Ca -0.44 -0.17 -0.53 0.00 0.07 0.00 0.00 59.98 58.91 3ic8 h ARG 302 Cb 1.22 -0.05 0.04 0.00 0.08 0.00 0.00 29.97 31.26 3ic8 h ARG 302 CO 0.56 0.68 0.77 -0.51 -1.07 0.00 0.00 179.97 180.40 3ic8 s LEU 303 N -9.45 4.38 0.00 3.04 1.43 -1.26 -3.05 118.68 113.77 3ic8 s LEU 303 Ca -0.13 2.50 0.00 0.00 -1.03 0.00 0.00 54.13 55.47 3ic8 s LEU 303 Cb 0.08 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.70 3ic8 s LEU 303 CO 0.76 -0.70 0.00 0.61 0.23 0.00 0.00 176.35 177.25 3ic8 n GLY 304 N 3.18 0.86 3.09 -3.19 0.00 -1.26 -5.02 105.19 102.84 3ic8 n GLY 304 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.39 1.20 -0.13 1.61 0.08 -1.17 -1.48 117.98 114.70 3ic8 s PHE 305 Ca 0.00 -0.24 -0.05 0.00 0.12 0.00 0.00 56.93 56.76 3ic8 s PHE 305 Cb 0.00 -0.78 -0.04 0.00 -0.57 0.00 0.00 43.02 41.63 3ic8 s PHE 305 CO 0.00 -0.04 0.06 0.50 -0.10 0.00 0.00 175.22 175.65 3ic8 s ARG 306 N -0.25 3.45 -0.16 0.44 3.52 0.12 -4.91 118.95 121.17 3ic8 s ARG 306 Ca 0.04 -0.30 -0.01 0.00 -0.13 0.00 0.00 55.73 55.32 3ic8 s ARG 306 Cb -0.06 -3.05 -0.01 0.00 -1.56 0.00 0.00 34.95 30.27 3ic8 s ARG 306 CO -0.00 0.59 -0.10 0.08 -0.81 0.00 0.00 175.30 175.05 3ic8 s VAL 307 N -0.52 3.18 -0.01 7.11 1.01 -1.26 -1.62 120.40 128.29 3ic8 s VAL 307 Ca 0.10 -0.60 0.08 0.00 0.00 0.00 0.00 61.98 61.56 3ic8 s VAL 307 Cb -0.12 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 3ic8 s VAL 307 CO 0.02 0.50 -0.25 -1.61 0.00 0.00 0.00 175.10 173.76 3ic8 s GLU 308 N 0.68 2.09 0.54 2.72 2.02 -0.29 -4.99 118.70 121.47 3ic8 s GLU 308 Ca -0.05 -0.94 0.24 0.00 0.02 0.00 0.00 54.97 54.23 3ic8 s GLU 308 Cb -0.15 -2.07 1.51 0.00 0.10 0.00 0.00 34.13 33.52 3ic8 s GLU 308 CO 0.02 0.56 2.17 1.57 0.02 0.00 0.00 175.26 179.59 3ic8 h LYS 309 N 5.32 0.00 0.00 1.61 5.09 -1.86 -1.58 116.57 125.15 3ic8 h LYS 309 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.30 3ic8 h LYS 309 Cb 1.13 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.46 3ic8 h LYS 309 CO 0.47 0.04 0.00 -2.13 -2.09 0.00 0.00 179.45 175.74