#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ic1 h LYS 2 N 0.00 -0.18 -0.10 3.17 3.64 -1.93 -2.32 116.57 118.86 3ic1 h LYS 2 Ca 0.00 0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.24 3ic1 h LYS 2 Cb 0.00 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3ic1 h LYS 2 CO 0.00 -0.12 -0.59 0.93 -2.27 0.00 0.00 179.45 177.40 3ic1 h GLU 3 N -0.19 0.32 -0.68 1.90 4.39 -1.98 0.23 114.58 118.57 3ic1 h GLU 3 Ca 0.21 -0.21 0.02 0.00 0.34 0.00 0.00 59.36 59.71 3ic1 h GLU 3 Cb 0.56 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.20 3ic1 h GLU 3 CO -0.70 0.82 0.44 0.87 -1.16 0.00 0.00 179.01 179.28 3ic1 h LYS 4 N 0.24 0.86 0.08 2.33 1.57 -1.95 -0.81 116.57 118.89 3ic1 h LYS 4 Ca -0.00 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3ic1 h LYS 4 Cb 1.10 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.22 3ic1 h LYS 4 CO 0.10 0.57 -0.04 0.28 -0.57 0.00 0.00 179.45 179.79 3ic1 h VAL 5 N 0.89 1.10 -0.85 0.50 2.07 -0.69 -1.71 116.25 117.56 3ic1 h VAL 5 Ca 0.26 -0.64 0.06 0.00 0.82 0.00 0.00 66.70 67.20 3ic1 h VAL 5 Cb -0.06 1.51 -0.06 0.00 -1.52 0.00 0.00 31.29 31.16 3ic1 h VAL 5 CO -0.07 0.16 0.53 0.58 0.02 0.00 0.00 177.57 178.78 3ic1 h VAL 6 N -0.39 1.04 -0.49 2.57 2.07 -0.97 0.13 116.25 120.20 3ic1 h VAL 6 Ca -0.01 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 3ic1 h VAL 6 Cb 0.34 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 3ic1 h VAL 6 CO 0.02 0.18 0.25 -1.28 0.02 0.00 0.00 177.57 176.75 3ic1 h SER 7 N 0.96 0.63 -0.42 0.57 0.87 -0.92 -0.85 113.55 114.38 3ic1 h SER 7 Ca 0.37 -0.12 -0.08 0.00 -1.23 0.00 0.00 61.79 60.74 3ic1 h SER 7 Cb 0.17 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 3ic1 h SER 7 CO -0.17 0.57 -0.05 0.25 -0.53 0.00 0.00 176.83 176.90 3ic1 h LEU 8 N 0.64 0.78 -0.72 2.23 5.85 -0.61 -2.62 115.31 120.87 3ic1 h LEU 8 Ca 0.17 -0.33 0.09 0.00 0.84 0.00 0.00 57.88 58.64 3ic1 h LEU 8 Cb 0.10 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 40.85 3ic1 h LEU 8 CO -0.02 0.92 0.38 0.00 -0.34 0.00 0.00 178.44 179.38 3ic1 h ALA 9 N 0.88 0.99 -0.50 1.25 0.00 -0.21 -1.50 119.26 120.17 3ic1 h ALA 9 Ca 0.11 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3ic1 h ALA 9 Cb 0.55 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3ic1 h ALA 9 CO 0.03 -0.00 0.17 1.96 0.00 0.00 0.00 179.25 181.41 3ic1 h GLN 10 N 0.65 0.77 -0.53 0.00 4.20 -1.13 0.11 115.11 119.18 3ic1 h GLN 10 Ca 0.35 -0.16 0.07 0.00 0.06 0.00 0.00 58.65 58.97 3ic1 h GLN 10 Cb 0.32 -0.12 -0.06 0.00 0.30 0.00 0.00 27.48 27.93 3ic1 h GLN 10 CO -0.25 0.71 0.20 -0.44 -0.67 0.00 0.00 178.83 178.38 3ic1 h ASP 11 N 0.68 0.20 -0.14 1.46 3.32 -1.04 -1.57 116.42 119.33 3ic1 h ASP 11 Ca 0.16 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.24 3ic1 h ASP 11 Cb 0.25 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 3ic1 h ASP 11 CO -0.01 0.14 -0.07 -0.07 -1.72 0.00 0.00 179.24 177.51 3ic1 h LEU 12 N 0.38 0.30 -1.44 1.55 3.38 -1.07 -3.10 115.31 115.31 3ic1 h LEU 12 Ca 0.26 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 57.84 3ic1 h LEU 12 Cb 0.29 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3ic1 h LEU 12 CO -0.26 0.65 0.39 0.40 0.09 0.00 0.00 178.44 179.71 3ic1 h ILE 13 N -0.04 1.12 0.00 1.22 2.04 -0.68 -0.17 117.51 121.00 3ic1 h ILE 13 Ca 0.03 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.63 3ic1 h ILE 13 Cb 0.53 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 3ic1 h ILE 13 CO 0.02 0.14 0.00 0.54 0.00 0.00 0.00 178.15 178.85 3ic1 n ARG 14 N -4.46 0.26 -3.52 2.37 1.74 -0.60 -4.35 116.66 108.11 3ic1 n ARG 14 Ca 0.06 0.12 -0.42 0.00 -0.77 0.00 0.00 57.85 56.84 3ic1 n ARG 14 Cb 0.09 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 29.93 3ic1 n ARG 14 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3ic1 s ARG 15 N -2.47 2.83 -0.79 5.56 0.52 -0.08 -4.96 118.95 119.56 3ic1 s ARG 15 Ca 0.16 -1.24 -0.25 0.00 -0.52 0.00 0.00 55.73 53.87 3ic1 s ARG 15 Cb 0.10 -3.90 -0.01 0.00 0.52 0.00 0.00 34.95 31.66 3ic1 s ARG 15 CO 0.22 -0.87 1.75 -2.14 0.02 0.00 0.00 175.30 174.28 3ic1 s PRO 16 N 1.57 2.82 -0.86 3.54 0.02 -1.26 -4.86 135.00 135.97 3ic1 s PRO 16 Ca 0.03 -0.09 0.01 0.00 0.02 0.00 0.00 61.00 60.97 3ic1 s PRO 16 Cb -0.22 -4.74 0.33 0.00 0.02 0.00 0.00 34.50 29.90 3ic1 s PRO 16 CO 0.06 -2.80 1.56 -1.13 -0.33 0.00 0.00 177.00 174.36 3ic1 n SER 17 N 12.13 6.44 -4.73 2.53 3.41 -1.26 -4.77 113.62 127.37 3ic1 n SER 17 Ca 0.27 -3.70 -0.42 0.00 -0.26 0.00 0.00 58.87 54.76 3ic1 n SER 17 Cb 0.50 -0.96 -0.03 0.00 -0.26 0.00 0.00 64.21 63.46 3ic1 n SER 17 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3ic1 s ILE 18 N -4.49 3.08 0.30 -1.33 -1.09 -1.23 -1.34 121.20 115.10 3ic1 s ILE 18 Ca 0.43 0.86 -0.30 0.00 -2.23 0.00 0.00 60.65 59.42 3ic1 s ILE 18 Cb 0.25 -3.55 -0.12 0.00 -1.58 0.00 0.00 42.46 37.46 3ic1 s ILE 18 CO -0.16 0.11 1.49 -1.20 -1.23 0.00 0.00 174.94 173.95 3ic1 n SER 19 N 2.95 3.42 -1.31 3.58 7.64 -1.20 -0.68 113.62 128.00 3ic1 n SER 19 Ca 0.08 1.17 0.10 0.00 1.01 0.00 0.00 58.87 61.23 3ic1 n SER 19 Cb 0.42 -1.54 0.30 0.00 -1.01 0.00 0.00 64.21 62.38 3ic1 n SER 19 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3ic1 n PRO 20 N 1.58 2.88 -2.36 1.43 -0.04 -1.26 -4.99 135.00 132.24 3ic1 n PRO 20 Ca 0.07 -2.46 -0.43 0.00 -0.04 0.00 0.00 63.50 60.65 3ic1 n PRO 20 Cb 0.36 -1.63 -0.02 0.00 -0.04 0.00 0.00 33.50 32.16 3ic1 n PRO 20 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3ic1 s ASN 21 N -0.94 6.68 0.37 3.54 2.47 0.14 -4.45 114.94 122.75 3ic1 s ASN 21 Ca 0.45 1.40 0.20 0.00 0.42 0.00 0.00 52.86 55.33 3ic1 s ASN 21 Cb 0.26 -2.54 0.49 0.00 -1.45 0.00 0.00 41.25 38.00 3ic1 s ASN 21 CO 0.27 -1.04 1.64 -0.78 -3.72 0.00 0.00 177.10 173.47 3ic1 h ASP 22 N 9.29 0.00 -6.21 -4.21 3.58 -1.85 -3.25 116.42 113.77 3ic1 h ASP 22 Ca -0.28 0.00 -0.47 0.00 0.42 0.00 0.00 57.03 56.70 3ic1 h ASP 22 Cb 1.11 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 42.03 3ic1 h ASP 22 CO 1.01 0.34 -0.72 -0.62 -2.88 0.00 0.00 179.24 176.37 3ic1 n GLU 23 N -3.31 -3.68 -0.98 0.28 -0.58 -1.26 -1.77 120.64 109.34 3ic1 n GLU 23 Ca 0.01 0.44 0.00 0.00 -0.42 0.00 0.00 57.16 57.20 3ic1 n GLU 23 Cb 0.58 -5.20 0.00 0.00 -0.57 0.00 0.00 31.44 26.24 3ic1 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ic1 n GLY 24 N -1.36 0.92 0.23 0.62 0.00 -1.26 -4.83 105.19 99.51 3ic1 n GLY 24 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 3ic1 n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ic1 h GLN 26 N 0.74 0.04 -0.17 0.00 4.20 -1.91 -2.67 115.11 115.34 3ic1 h GLN 26 Ca 0.20 -0.03 -0.18 0.00 0.06 0.00 0.00 58.65 58.70 3ic1 h GLN 26 Cb -0.02 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.77 3ic1 h GLN 26 CO -0.04 0.61 -0.64 1.96 -0.67 0.00 0.00 178.83 180.05 3ic1 h GLN 27 N 0.03 0.63 -0.16 1.46 4.20 -1.86 0.18 115.11 119.59 3ic1 h GLN 27 Ca -0.01 -0.45 -0.11 0.00 0.06 0.00 0.00 58.65 58.14 3ic1 h GLN 27 Cb 1.04 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.88 3ic1 h GLN 27 CO 0.08 1.07 -0.39 -0.84 -0.67 0.00 0.00 178.83 178.08 3ic1 h ILE 28 N 0.46 1.30 -0.27 2.54 3.07 -1.37 -0.22 117.51 123.03 3ic1 h ILE 28 Ca -0.01 -1.50 -0.03 0.00 1.55 0.00 0.00 64.86 64.87 3ic1 h ILE 28 Cb 1.22 1.61 -0.01 0.00 -0.27 0.00 0.00 36.82 39.37 3ic1 h ILE 28 CO 0.12 0.46 0.06 0.40 -1.05 0.00 0.00 178.15 178.14 3ic1 h ILE 29 N 0.29 1.22 0.61 0.16 2.04 -1.19 -2.45 117.51 118.19 3ic1 h ILE 29 Ca 0.03 -0.74 -0.03 0.00 1.00 0.00 0.00 64.86 65.12 3ic1 h ILE 29 Cb 0.82 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 3ic1 h ILE 29 CO 0.07 0.24 -0.31 0.00 0.00 0.00 0.00 178.15 178.14 3ic1 h ALA 30 N 0.88 -0.85 -0.81 1.87 0.00 -0.35 -0.41 119.26 119.59 3ic1 h ALA 30 Ca 0.08 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 54.95 3ic1 h ALA 30 Cb 0.31 0.35 -0.14 0.00 0.00 0.00 0.00 17.79 18.30 3ic1 h ALA 30 CO 0.00 -0.98 -0.32 0.93 0.00 0.00 0.00 179.25 178.88 3ic1 h GLU 31 N -0.84 -0.06 -0.01 0.00 5.08 -1.07 0.16 114.58 117.84 3ic1 h GLU 31 Ca -0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3ic1 h GLU 31 Cb 0.66 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 3ic1 h GLU 31 CO 0.12 -0.04 0.01 -0.09 -1.00 0.00 0.00 179.01 178.01 3ic1 h ARG 32 N -0.06 0.02 -0.33 2.33 2.43 -1.21 -2.84 114.38 114.72 3ic1 h ARG 32 Ca 0.32 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.38 3ic1 h ARG 32 Cb 0.59 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 3ic1 h ARG 32 CO -0.85 0.04 -0.24 -0.07 -1.51 0.00 0.00 179.97 177.35 3ic1 h LEU 33 N -0.01 0.65 -0.49 3.80 3.38 -0.02 -3.09 115.31 119.53 3ic1 h LEU 33 Ca 0.01 -0.23 0.09 0.00 0.09 0.00 0.00 57.88 57.83 3ic1 h LEU 33 Cb 0.03 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.53 3ic1 h LEU 33 CO -0.00 0.87 0.08 -0.08 0.09 0.00 0.00 178.44 179.40 3ic1 h GLU 34 N 0.56 0.20 0.00 1.13 4.81 -0.65 -0.93 114.58 119.69 3ic1 h GLU 34 Ca 0.08 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3ic1 h GLU 34 Cb 0.71 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.05 3ic1 h GLU 34 CO 0.05 0.13 0.00 0.87 -0.73 0.00 0.00 179.01 179.34 3ic1 h LYS 35 N 0.20 0.00 -0.56 1.92 1.57 -1.41 -2.50 116.57 115.79 3ic1 h LYS 35 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3ic1 h LYS 35 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3ic1 h LYS 35 CO -0.35 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 179.81 3ic1 n LEU 36 N -2.80 4.38 0.00 2.94 4.77 -0.42 -4.95 117.00 120.93 3ic1 n LEU 36 Ca -0.02 -2.45 0.00 0.00 -0.03 0.00 0.00 56.01 53.51 3ic1 n LEU 36 Cb 0.11 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 3ic1 n LEU 36 CO 0.18 0.79 0.00 0.61 -1.33 0.00 0.00 177.39 177.64 3ic1 n GLY 37 N 0.84 0.71 3.76 -0.72 0.00 -0.94 -4.98 105.19 103.86 3ic1 n GLY 37 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 3ic1 n GLY 37 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ic1 s PHE 38 N -2.54 3.48 0.09 1.61 0.08 -0.83 -4.80 117.98 115.07 3ic1 s PHE 38 Ca 0.00 1.68 -0.30 0.00 0.12 0.00 0.00 56.93 58.43 3ic1 s PHE 38 Cb 0.00 -3.24 -0.05 0.00 -0.57 0.00 0.00 43.02 39.15 3ic1 s PHE 38 CO 0.00 -0.59 0.99 -0.65 -0.10 0.00 0.00 175.22 174.87 3ic1 s GLN 39 N -1.76 4.65 -0.21 0.44 -0.21 0.11 -4.39 119.66 118.28 3ic1 s GLN 39 Ca 0.49 1.49 -0.03 0.00 0.02 0.00 0.00 55.36 57.32 3ic1 s GLN 39 Cb -0.29 -3.38 -0.00 0.00 1.00 0.00 0.00 33.01 30.33 3ic1 s GLN 39 CO 0.37 0.12 -0.07 0.42 -2.12 0.00 0.00 175.29 174.01 3ic1 s ILE 40 N 0.24 3.16 -0.14 1.08 -1.09 -1.26 -1.18 121.20 122.01 3ic1 s ILE 40 Ca 0.49 -0.57 -0.00 0.00 -2.23 0.00 0.00 60.65 58.34 3ic1 s ILE 40 Cb -0.24 -2.42 0.03 0.00 -1.58 0.00 0.00 42.46 38.25 3ic1 s ILE 40 CO 0.30 0.45 -0.07 -0.70 -1.23 0.00 0.00 174.94 173.69 3ic1 s GLU 41 N 1.40 1.52 -0.10 2.79 2.12 -0.36 -5.02 118.70 121.05 3ic1 s GLU 41 Ca 0.05 -0.41 -0.16 0.00 0.36 0.00 0.00 54.97 54.81 3ic1 s GLU 41 Cb -0.14 -1.84 -0.05 0.00 0.26 0.00 0.00 34.13 32.36 3ic1 s GLU 41 CO -0.04 -0.35 0.42 -1.58 -0.54 0.00 0.00 175.26 173.16 3ic1 s TRP 42 N 1.66 3.56 -0.46 5.30 0.52 -1.26 -0.70 118.94 127.55 3ic1 s TRP 42 Ca 0.03 0.85 0.09 0.00 0.02 0.00 0.00 56.10 57.08 3ic1 s TRP 42 Cb -0.14 -2.44 0.31 0.00 -1.15 0.00 0.00 33.47 30.05 3ic1 s TRP 42 CO -0.08 0.30 0.74 -1.33 0.02 0.00 0.00 176.95 176.60 3ic1 n MET 43 N 3.18 1.67 -2.13 4.98 2.81 -0.23 -4.98 117.12 122.41 3ic1 n MET 43 Ca -0.10 -3.87 -0.36 0.00 -1.81 0.00 0.00 57.70 51.55 3ic1 n MET 43 Cb 0.52 -1.80 0.01 0.00 -0.71 0.00 0.00 33.22 31.24 3ic1 n MET 43 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3ic1 s PRO 44 N -2.41 3.31 -0.19 0.03 0.04 -1.26 -3.70 135.00 130.82 3ic1 s PRO 44 Ca 0.41 1.79 -0.06 0.00 0.04 0.00 0.00 61.00 63.18 3ic1 s PRO 44 Cb 0.27 -2.10 0.09 0.00 0.04 0.00 0.00 34.50 32.80 3ic1 s PRO 44 CO -0.09 -0.93 0.39 0.12 0.04 0.00 0.00 177.00 176.53 3ic1 s PHE 45 N -1.61 -0.74 0.00 0.56 5.36 -0.56 -4.95 117.98 116.04 3ic1 s PHE 45 Ca 0.72 1.31 0.00 0.00 -0.96 0.00 0.00 56.93 58.00 3ic1 s PHE 45 Cb -0.29 0.20 0.00 0.00 -0.34 0.00 0.00 43.02 42.59 3ic1 s PHE 45 CO 0.33 -0.50 0.00 0.09 -1.46 0.00 0.00 175.22 173.68 3ic1 n ASN 46 N 5.38 0.00 -1.19 6.13 3.02 -1.26 -1.49 115.26 125.86 3ic1 n ASN 46 Ca -0.07 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.59 3ic1 n ASN 46 Cb 0.50 0.00 0.26 0.00 -0.61 0.00 0.00 39.78 39.92 3ic1 n ASN 46 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3ic1 n ASP 47 N 10.90 3.63 -4.80 6.41 8.00 -1.26 -4.97 116.55 134.46 3ic1 n ASP 47 Ca 0.00 -1.98 -0.34 0.00 0.71 0.00 0.00 54.79 53.18 3ic1 n ASP 47 Cb 0.00 -0.36 -0.07 0.00 -0.02 0.00 0.00 41.12 40.67 3ic1 n ASP 47 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3ic1 s THR 48 N -1.19 4.85 -0.11 -3.53 2.01 -0.55 -4.66 115.64 112.46 3ic1 s THR 48 Ca 0.42 -0.29 -0.03 0.00 0.31 0.00 0.00 61.69 62.09 3ic1 s THR 48 Cb 0.23 -3.19 -0.03 0.00 0.01 0.00 0.00 72.50 69.51 3ic1 s THR 48 CO 0.31 0.41 0.02 -0.22 -0.69 0.00 0.00 174.62 174.44 3ic1 s LEU 49 N -1.59 3.65 0.07 4.42 2.96 -1.26 -1.49 118.68 125.44 3ic1 s LEU 49 Ca 0.21 0.14 0.04 0.00 -0.22 0.00 0.00 54.13 54.30 3ic1 s LEU 49 Cb -0.12 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 3ic1 s LEU 49 CO 0.12 0.33 -0.11 0.20 -1.32 0.00 0.00 176.35 175.57 3ic1 s ASN 50 N -0.61 1.38 -0.03 3.68 0.01 -1.24 -0.56 114.94 117.57 3ic1 s ASN 50 Ca 0.10 -0.64 0.01 0.00 -0.71 0.00 0.00 52.86 51.63 3ic1 s ASN 50 Cb -0.12 -0.01 0.01 0.00 0.41 0.00 0.00 41.25 41.55 3ic1 s ASN 50 CO 0.02 -0.15 -0.04 -0.22 -1.51 0.00 0.00 177.10 175.20 3ic1 s LEU 51 N -1.84 1.52 -0.27 0.60 2.96 0.31 -1.07 118.68 120.89 3ic1 s LEU 51 Ca -0.03 -0.10 0.01 0.00 -0.22 0.00 0.00 54.13 53.79 3ic1 s LEU 51 Cb -0.08 -0.36 0.08 0.00 0.50 0.00 0.00 46.19 46.32 3ic1 s LEU 51 CO 0.01 -0.02 -0.01 0.86 -1.32 0.00 0.00 176.35 175.88 3ic1 s TRP 52 N 0.58 2.55 -0.17 5.38 -0.11 0.13 -1.76 118.94 125.55 3ic1 s TRP 52 Ca -0.07 -2.01 -0.01 0.00 1.22 0.00 0.00 56.10 55.23 3ic1 s TRP 52 Cb -0.10 -1.88 -0.01 0.00 -1.50 0.00 0.00 33.47 29.98 3ic1 s TRP 52 CO -0.00 -0.83 -0.11 0.00 -4.62 0.00 0.00 176.95 171.39 3ic1 s ALA 53 N 1.33 2.66 -0.04 5.86 0.00 -0.65 -1.23 121.76 129.70 3ic1 s ALA 53 Ca 0.00 -1.02 0.06 0.00 0.00 0.00 0.00 51.96 51.01 3ic1 s ALA 53 Cb -0.19 -1.38 -0.01 0.00 0.00 0.00 0.00 23.12 21.54 3ic1 s ALA 53 CO -0.10 -0.04 -0.22 0.15 0.00 0.00 0.00 175.76 175.55 3ic1 s LYS 54 N 0.83 2.03 -0.13 0.00 1.02 -0.32 -0.52 119.74 122.64 3ic1 s LYS 54 Ca -0.03 -0.77 0.02 0.00 0.02 0.00 0.00 55.97 55.21 3ic1 s LYS 54 Cb -0.15 -1.81 0.01 0.00 -0.52 0.00 0.00 37.83 35.36 3ic1 s LYS 54 CO 0.01 0.38 -0.20 -1.58 -0.92 0.00 0.00 175.35 173.04 3ic1 s HIS 55 N -0.24 2.43 0.00 3.18 2.46 0.13 0.07 115.29 123.33 3ic1 s HIS 55 Ca 0.01 -1.21 0.00 0.00 0.47 0.00 0.00 55.06 54.33 3ic1 s HIS 55 Cb -0.11 -1.68 0.00 0.00 -0.13 0.00 0.00 32.58 30.66 3ic1 s HIS 55 CO 0.01 -0.57 0.00 0.41 -2.47 0.00 0.00 174.74 172.12 3ic1 n GLY 56 N 4.13 1.24 0.00 1.59 0.00 -1.26 -0.94 105.19 109.95 3ic1 n GLY 56 Ca -0.20 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 43.96 3ic1 n GLY 56 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ic1 n THR 57 N 1.36 0.27 -4.39 2.61 -2.24 -1.26 -4.80 114.28 105.83 3ic1 n THR 57 Ca 0.00 -0.36 -0.20 0.00 -2.27 0.00 0.00 64.05 61.22 3ic1 n THR 57 Cb 0.00 1.09 -0.10 0.00 -2.10 0.00 0.00 70.33 69.22 3ic1 n THR 57 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3ic1 s SER 58 N -0.27 1.83 0.46 3.42 1.04 -1.26 -5.01 113.70 113.92 3ic1 s SER 58 Ca 0.00 -1.43 -0.20 0.00 0.48 0.00 0.00 55.95 54.80 3ic1 s SER 58 Cb 0.00 0.13 -0.10 0.00 0.10 0.00 0.00 66.02 66.15 3ic1 s SER 58 CO 0.00 -0.72 0.97 -1.61 0.98 0.00 0.00 173.24 172.85 3ic1 s GLU 59 N -3.93 4.12 0.31 4.02 2.02 -1.26 -1.87 118.70 122.11 3ic1 s GLU 59 Ca 0.36 1.10 -0.28 0.00 0.02 0.00 0.00 54.97 56.16 3ic1 s GLU 59 Cb 0.07 -2.16 -0.10 0.00 0.10 0.00 0.00 34.13 32.05 3ic1 s GLU 59 CO 0.15 -0.13 1.15 -1.25 0.02 0.00 0.00 175.26 175.20 3ic1 s PRO 60 N -3.42 4.48 -0.31 0.39 0.04 -1.26 -3.93 135.00 131.00 3ic1 s PRO 60 Ca 0.62 1.87 -0.12 0.00 0.04 0.00 0.00 61.00 63.41 3ic1 s PRO 60 Cb -0.10 -3.06 -0.03 0.00 0.04 0.00 0.00 34.50 31.35 3ic1 s PRO 60 CO 0.18 0.04 0.21 0.08 0.04 0.00 0.00 177.00 177.56 3ic1 s VAL 61 N -1.22 5.27 -0.37 -0.36 1.01 -1.26 -0.94 120.40 122.52 3ic1 s VAL 61 Ca 0.48 -0.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.35 3ic1 s VAL 61 Cb -0.33 -3.60 0.05 0.00 0.00 0.00 0.00 36.38 32.50 3ic1 s VAL 61 CO 0.42 0.13 0.18 -0.63 0.00 0.00 0.00 175.10 175.20 3ic1 s ILE 62 N 1.74 4.07 -0.16 2.22 1.01 0.37 -0.84 121.20 129.60 3ic1 s ILE 62 Ca 0.07 -1.20 -0.10 0.00 0.00 0.00 0.00 60.65 59.42 3ic1 s ILE 62 Cb -0.17 -3.38 -0.05 0.00 0.01 0.00 0.00 42.46 38.88 3ic1 s ILE 62 CO 0.11 -0.32 0.17 0.00 0.00 0.00 0.00 174.94 174.90 3ic1 s ALA 63 N 1.43 3.73 -0.13 9.38 0.00 -0.20 -1.63 121.76 134.34 3ic1 s ALA 63 Ca 0.01 -0.62 -0.22 0.00 0.00 0.00 0.00 51.96 51.13 3ic1 s ALA 63 Cb -0.21 -2.15 -0.03 0.00 0.00 0.00 0.00 23.12 20.73 3ic1 s ALA 63 CO 0.03 0.30 0.65 -0.06 0.00 0.00 0.00 175.76 176.68 3ic1 s PHE 64 N -0.09 3.48 0.08 0.00 0.08 0.13 -1.20 117.98 120.45 3ic1 s PHE 64 Ca 0.12 1.07 0.10 0.00 0.12 0.00 0.00 56.93 58.34 3ic1 s PHE 64 Cb -0.12 -2.78 -0.03 0.00 -0.57 0.00 0.00 43.02 39.52 3ic1 s PHE 64 CO 0.01 -0.03 -0.26 0.00 -0.10 0.00 0.00 175.22 174.85 3ic1 s ALA 65 N 1.31 2.35 -0.01 5.36 0.00 -0.06 -0.35 121.76 130.36 3ic1 s ALA 65 Ca 0.32 -1.35 -0.17 0.00 0.00 0.00 0.00 51.96 50.77 3ic1 s ALA 65 Cb -0.16 -0.47 0.06 0.00 0.00 0.00 0.00 23.12 22.54 3ic1 s ALA 65 CO 0.13 0.54 0.76 0.41 0.00 0.00 0.00 175.76 177.61 3ic1 n GLY 66 N 1.37 0.39 2.96 0.00 0.00 0.04 -2.22 105.19 107.73 3ic1 n GLY 66 Ca -0.17 -0.96 -0.11 0.00 0.00 0.00 0.00 46.02 44.78 3ic1 n GLY 66 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3ic1 s HIS 67 N -2.46 0.25 -1.57 1.61 -3.43 -1.26 -1.94 115.29 106.48 3ic1 s HIS 67 Ca 0.18 -0.36 0.20 0.00 -0.80 0.00 0.00 55.06 54.27 3ic1 s HIS 67 Cb -0.00 -0.17 -0.07 0.00 -1.43 0.00 0.00 32.58 30.91 3ic1 s HIS 67 CO -0.00 -0.12 0.95 0.25 -2.00 0.00 0.00 174.74 173.82 3ic1 n THR 68 N 2.04 0.00 -2.81 -5.38 -2.24 -0.60 -4.50 114.28 100.80 3ic1 n THR 68 Ca -0.20 -0.22 -0.32 0.00 -2.27 0.00 0.00 64.05 61.04 3ic1 n THR 68 Cb 0.56 1.17 -0.05 0.00 -2.10 0.00 0.00 70.33 69.91 3ic1 n THR 68 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3ic1 s ASP 69 N -2.43 6.70 0.18 3.42 -4.77 -1.26 -4.71 116.67 113.81 3ic1 s ASP 69 Ca 0.14 1.40 0.08 0.00 -3.30 0.00 0.00 52.55 50.87 3ic1 s ASP 69 Cb 0.16 -2.43 -0.04 0.00 -1.09 0.00 0.00 42.92 39.51 3ic1 s ASP 69 CO 0.59 -0.39 -0.15 0.68 0.70 0.00 0.00 175.17 176.60 3ic1 s VAL 70 N -2.29 1.69 0.73 2.11 -7.23 -0.45 -4.68 120.40 110.27 3ic1 s VAL 70 Ca 0.56 -2.07 -0.11 0.00 -1.81 0.00 0.00 61.98 58.56 3ic1 s VAL 70 Cb -0.10 -1.92 0.03 0.00 0.56 0.00 0.00 36.38 34.95 3ic1 s VAL 70 CO 0.24 -0.51 1.07 0.68 -0.31 0.00 0.00 175.10 176.27 3ic1 s VAL 71 N -2.64 3.72 0.97 1.32 -7.23 -1.26 -3.25 120.40 112.03 3ic1 s VAL 71 Ca 0.19 0.56 -0.11 0.00 -1.81 0.00 0.00 61.98 60.80 3ic1 s VAL 71 Cb -0.02 -3.32 0.15 0.00 0.56 0.00 0.00 36.38 33.75 3ic1 s VAL 71 CO 0.06 -0.73 0.97 -2.65 -0.31 0.00 0.00 175.10 172.44 3ic1 n PRO 72 N -3.21 -0.80 0.06 4.82 -0.02 -1.26 -4.94 135.00 129.65 3ic1 n PRO 72 Ca 0.07 -0.18 0.04 0.00 -2.02 0.00 0.00 63.50 61.41 3ic1 n PRO 72 Cb 0.55 -2.24 -0.05 0.00 -0.02 0.00 0.00 33.50 31.74 3ic1 n PRO 72 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3ic1 h THR 73 N -1.98 0.36 -0.20 3.45 1.35 -1.99 -3.49 112.91 110.40 3ic1 h THR 73 Ca -0.46 -1.68 0.00 0.00 -0.55 0.00 0.00 66.41 63.72 3ic1 h THR 73 Cb 1.28 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 69.60 3ic1 h THR 73 CO 0.41 0.20 0.00 0.61 -0.25 0.00 0.00 175.52 176.49 3ic1 n GLY 74 N 1.31 -1.98 3.69 5.82 0.00 -1.26 -4.76 105.19 108.01 3ic1 n GLY 74 Ca -0.06 -1.38 -0.43 0.00 0.00 0.00 0.00 46.02 44.15 3ic1 n GLY 74 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ic1 n ASP 75 N 0.59 4.00 0.27 1.61 8.00 -1.26 -4.88 116.55 124.88 3ic1 n ASP 75 Ca 0.00 0.99 0.15 0.00 0.71 0.00 0.00 54.79 56.64 3ic1 n ASP 75 Cb 0.00 -1.54 0.65 0.00 -0.02 0.00 0.00 41.12 40.21 3ic1 n ASP 75 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3ic1 h GLU 76 N 8.58 0.00 0.00 -1.24 5.08 -1.98 -2.80 114.58 122.22 3ic1 h GLU 76 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3ic1 h GLU 76 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3ic1 h GLU 76 CO 0.95 0.06 0.00 0.27 -1.00 0.00 0.00 179.01 179.29 3ic1 n ASN 77 N -3.19 0.00 0.02 1.42 0.23 -1.26 -1.68 115.26 110.79 3ic1 n ASN 77 Ca 0.00 -0.24 0.13 0.00 -0.53 0.00 0.00 54.58 53.94 3ic1 n ASN 77 Cb 0.33 -0.17 0.43 0.00 -2.08 0.00 0.00 39.78 38.28 3ic1 n ASN 77 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3ic1 n GLN 78 N -1.17 0.06 -3.24 -3.83 6.02 -1.05 -4.90 117.38 109.26 3ic1 n GLN 78 Ca 0.11 0.03 -0.39 0.00 -0.01 0.00 0.00 57.00 56.75 3ic1 n GLN 78 Cb 0.12 -1.56 -0.06 0.00 1.02 0.00 0.00 30.24 29.76 3ic1 n GLN 78 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3ic1 s TRP 79 N -3.03 3.82 0.14 1.08 0.52 -0.68 -4.86 118.94 115.93 3ic1 s TRP 79 Ca 0.12 1.31 0.10 0.00 0.02 0.00 0.00 56.10 57.65 3ic1 s TRP 79 Cb 0.17 -2.53 0.07 0.00 -1.15 0.00 0.00 33.47 30.03 3ic1 s TRP 79 CO 0.61 0.58 1.44 0.66 0.02 0.00 0.00 176.95 180.26 3ic1 h SER 80 N 4.52 0.00 -4.33 2.95 4.64 -1.90 -3.43 113.55 116.00 3ic1 h SER 80 Ca -0.49 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.23 3ic1 h SER 80 Cb 1.21 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.03 3ic1 h SER 80 CO 0.64 0.78 -0.85 -0.44 -0.87 0.00 0.00 176.83 176.08 3ic1 s SER 81 N -6.70 2.53 0.28 4.97 0.01 -1.26 -5.11 113.70 108.42 3ic1 s SER 81 Ca 0.01 -0.49 -0.30 0.00 1.31 0.00 0.00 55.95 56.48 3ic1 s SER 81 Cb 0.11 -0.23 -0.10 0.00 0.21 0.00 0.00 66.02 66.00 3ic1 s SER 81 CO 0.78 0.20 1.43 -2.84 0.41 0.00 0.00 173.24 173.22 3ic1 s PRO 82 N -0.99 4.25 0.58 12.44 0.02 -1.26 -4.86 135.00 145.19 3ic1 s PRO 82 Ca 0.08 2.34 0.32 0.00 0.02 0.00 0.00 61.00 63.76 3ic1 s PRO 82 Cb -0.09 -3.08 1.81 0.00 0.02 0.00 0.00 34.50 33.16 3ic1 s PRO 82 CO 0.01 -0.41 2.21 -1.00 -0.33 0.00 0.00 177.00 177.49 3ic1 h PRO 83 N 4.51 0.00 -0.18 5.54 0.13 -1.93 -1.56 132.00 138.51 3ic1 h PRO 83 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3ic1 h PRO 83 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3ic1 h PRO 83 CO 0.74 0.04 0.00 1.19 -0.23 0.00 0.00 178.00 179.74 3ic1 n PHE 84 N -3.61 0.57 0.07 1.56 3.72 -1.26 -1.24 117.46 117.27 3ic1 n PHE 84 Ca -0.02 -0.84 0.01 0.00 -0.05 0.00 0.00 57.45 56.55 3ic1 n PHE 84 Cb 0.14 -0.22 -0.04 0.00 -0.94 0.00 0.00 39.48 38.41 3ic1 n PHE 84 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3ic1 h SER 85 N 1.23 0.00 -5.77 4.37 0.02 -1.58 -3.35 113.55 108.46 3ic1 h SER 85 Ca 0.00 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.58 3ic1 h SER 85 Cb 1.18 0.00 0.15 0.00 0.14 0.00 0.00 62.40 63.87 3ic1 h SER 85 CO 0.12 0.52 -0.72 0.00 -1.14 0.00 0.00 176.83 175.62 3ic1 n ALA 86 N -2.33 -1.60 -1.77 3.77 0.00 -1.25 -4.87 120.51 112.46 3ic1 n ALA 86 Ca -0.05 0.21 -0.39 0.00 0.00 0.00 0.00 53.44 53.21 3ic1 n ALA 86 Cb 0.79 -4.24 -0.02 0.00 0.00 0.00 0.00 19.45 15.97 3ic1 n ALA 86 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3ic1 s GLU 87 N -5.93 4.23 -0.31 0.00 2.02 -1.23 -4.80 118.70 112.68 3ic1 s GLU 87 Ca 0.35 1.92 -0.09 0.00 0.02 0.00 0.00 54.97 57.17 3ic1 s GLU 87 Cb -0.15 -2.86 -0.00 0.00 0.10 0.00 0.00 34.13 31.21 3ic1 s GLU 87 CO 0.73 -0.19 0.14 0.42 0.02 0.00 0.00 175.26 176.38 3ic1 s ILE 88 N -1.30 4.45 -0.22 -1.63 1.01 -1.26 -1.55 121.20 120.69 3ic1 s ILE 88 Ca 0.53 -0.49 -0.01 0.00 0.00 0.00 0.00 60.65 60.68 3ic1 s ILE 88 Cb -0.33 -3.28 0.02 0.00 0.01 0.00 0.00 42.46 38.88 3ic1 s ILE 88 CO 0.42 0.07 -0.10 -0.63 0.00 0.00 0.00 174.94 174.70 3ic1 s ILE 89 N 1.59 2.68 -1.22 2.92 1.01 -0.54 -4.82 121.20 122.82 3ic1 s ILE 89 Ca 0.04 -0.95 -0.07 0.00 0.00 0.00 0.00 60.65 59.67 3ic1 s ILE 89 Cb -0.17 -2.29 -0.01 0.00 0.01 0.00 0.00 42.46 40.00 3ic1 s ILE 89 CO 0.05 0.32 0.76 0.47 0.00 0.00 0.00 174.94 176.54 3ic1 n ASP 90 N 4.66 -3.23 0.00 3.58 8.00 -1.26 -2.09 116.55 126.21 3ic1 n ASP 90 Ca -0.18 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.46 3ic1 n ASP 90 Cb 0.48 -4.05 0.00 0.00 -0.02 0.00 0.00 41.12 37.53 3ic1 n ASP 90 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ic1 n GLY 91 N -1.55 0.41 3.43 0.44 0.00 -1.26 -5.01 105.19 101.65 3ic1 n GLY 91 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 3ic1 n GLY 91 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ic1 s MET 92 N -0.68 3.37 -0.29 1.61 -1.94 -0.89 -0.54 119.30 119.95 3ic1 s MET 92 Ca 0.00 -0.62 -0.15 0.00 -1.71 0.00 0.00 55.69 53.20 3ic1 s MET 92 Cb 0.00 -2.70 -0.03 0.00 2.01 0.00 0.00 34.83 34.11 3ic1 s MET 92 CO 0.00 0.28 0.39 -1.17 -0.01 0.00 0.00 175.02 174.51 3ic1 s LEU 93 N 0.19 4.12 -0.10 -0.03 2.96 0.07 -1.46 118.68 124.43 3ic1 s LEU 93 Ca -0.06 0.20 -0.06 0.00 -0.22 0.00 0.00 54.13 53.99 3ic1 s LEU 93 Cb -0.15 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.07 3ic1 s LEU 93 CO 0.04 -0.23 0.14 -0.31 -1.32 0.00 0.00 176.35 174.67 3ic1 s TYR 94 N 2.10 3.57 0.00 5.38 2.02 -0.59 -0.97 117.35 128.86 3ic1 s TYR 94 Ca 0.15 0.49 0.00 0.00 -0.37 0.00 0.00 57.07 57.34 3ic1 s TYR 94 Cb -0.16 -1.92 0.00 0.00 -0.40 0.00 0.00 41.96 39.48 3ic1 s TYR 94 CO 0.10 0.71 0.00 0.41 -1.57 0.00 0.00 175.55 175.21 3ic1 n GLY 95 N 1.86 3.26 3.68 0.71 0.00 -0.56 -3.54 105.19 110.60 3ic1 n GLY 95 Ca -0.19 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 3ic1 n GLY 95 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ic1 s ARG 96 N -2.00 4.18 0.00 1.61 6.06 -0.37 -1.95 118.95 126.48 3ic1 s ARG 96 Ca 0.00 2.35 0.00 0.00 -2.50 0.00 0.00 55.73 55.58 3ic1 s ARG 96 Cb 0.00 -3.79 0.00 0.00 0.06 0.00 0.00 34.95 31.22 3ic1 s ARG 96 CO 0.00 -0.80 0.00 0.41 -2.50 0.00 0.00 175.30 172.41 3ic1 n GLY 97 N 4.13 0.45 0.28 8.12 0.00 -1.26 -4.83 105.19 112.07 3ic1 n GLY 97 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 3ic1 n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ic1 h ALA 98 N 0.00 0.84 0.01 4.61 0.00 -1.70 0.82 119.26 123.84 3ic1 h ALA 98 Ca 0.00 -0.14 -0.38 0.00 0.00 0.00 0.00 54.91 54.39 3ic1 h ALA 98 Cb 0.00 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.47 3ic1 h ALA 98 CO 0.00 0.41 -2.40 0.00 0.00 0.00 0.00 179.25 177.27 3ic1 n ALA 99 N -2.36 1.43 -3.84 0.00 0.00 -1.26 -2.88 120.51 111.61 3ic1 n ALA 99 Ca 0.05 -1.15 -0.29 0.00 0.00 0.00 0.00 53.44 52.04 3ic1 n ALA 99 Cb 0.13 -0.19 -0.13 0.00 0.00 0.00 0.00 19.45 19.27 3ic1 n ALA 99 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ic1 s ASP 100 N -6.16 4.08 -0.13 0.00 2.15 -1.23 -4.41 116.67 110.97 3ic1 s ASP 100 Ca -0.24 -3.11 0.20 0.00 0.43 0.00 0.00 52.55 49.84 3ic1 s ASP 100 Cb 0.08 -1.39 0.41 0.00 -0.30 0.00 0.00 42.92 41.71 3ic1 s ASP 100 CO 0.70 -0.20 1.17 1.15 -0.17 0.00 0.00 175.17 177.82 3ic1 n MET 101 N 2.95 0.77 -0.01 4.34 0.00 -1.16 -4.23 117.12 119.78 3ic1 n MET 101 Ca 0.11 -2.35 -0.02 0.00 0.00 0.00 0.00 57.70 55.45 3ic1 n MET 101 Cb 0.34 -0.48 0.25 0.00 0.00 0.00 0.00 33.22 33.33 3ic1 n MET 101 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 3ic1 h LYS 102 N 1.47 0.54 0.57 3.17 1.57 0.48 -0.53 116.57 123.83 3ic1 h LYS 102 Ca -0.26 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.35 3ic1 h LYS 102 Cb 1.55 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 33.80 3ic1 h LYS 102 CO 0.05 0.63 -0.27 0.78 -0.57 0.00 0.00 179.45 180.06 3ic1 h GLY 103 N 0.91 -0.80 1.93 3.86 0.00 -1.61 -0.51 103.07 106.85 3ic1 h GLY 103 Ca 0.10 0.30 -0.10 0.00 0.00 0.00 0.00 47.33 47.62 3ic1 h GLY 103 CO 0.02 -0.29 -0.45 1.48 0.00 0.00 0.00 176.54 177.30 3ic1 h SER 104 N -0.79 0.08 -0.33 0.19 4.64 -1.77 -0.10 113.55 115.47 3ic1 h SER 104 Ca -0.08 -0.04 0.04 0.00 -0.47 0.00 0.00 61.79 61.24 3ic1 h SER 104 Cb 0.60 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.63 3ic1 h SER 104 CO 0.13 0.52 0.12 0.25 -0.87 0.00 0.00 176.83 176.98 3ic1 h LEU 105 N 0.06 0.14 -0.69 5.97 5.85 -1.05 0.59 115.31 126.19 3ic1 h LEU 105 Ca 0.00 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3ic1 h LEU 105 Cb 0.82 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 3ic1 h LEU 105 CO 0.06 0.12 0.38 0.00 -0.34 0.00 0.00 178.44 178.66 3ic1 h ALA 106 N 1.20 0.88 -0.73 1.25 0.00 -0.46 -1.30 119.26 120.11 3ic1 h ALA 106 Ca 0.15 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3ic1 h ALA 106 Cb 0.11 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3ic1 h ALA 106 CO -0.14 0.39 0.46 0.00 0.00 0.00 0.00 179.25 179.96 3ic1 h ALA 107 N 1.19 0.95 -0.32 0.00 0.00 -0.63 0.02 119.26 120.47 3ic1 h ALA 107 Ca 0.24 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 3ic1 h ALA 107 Cb 0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3ic1 h ALA 107 CO -0.04 0.26 -0.36 0.52 0.00 0.00 0.00 179.25 179.63 3ic1 h MET 108 N 0.91 0.73 -0.10 0.00 2.07 -0.49 -0.79 114.93 117.26 3ic1 h MET 108 Ca 0.29 -0.36 -0.04 0.00 -2.07 0.00 0.00 59.70 57.52 3ic1 h MET 108 Cb -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 29.73 3ic1 h MET 108 CO -0.10 0.97 -0.10 0.82 1.07 0.00 0.00 176.91 179.57 3ic1 h ILE 109 N 0.60 1.36 -0.17 -1.22 2.04 -0.92 -1.44 117.51 117.77 3ic1 h ILE 109 Ca 0.06 -1.26 -0.06 0.00 1.00 0.00 0.00 64.86 64.60 3ic1 h ILE 109 Cb 0.89 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.95 3ic1 h ILE 109 CO 0.08 0.36 -0.16 0.58 0.00 0.00 0.00 178.15 179.01 3ic1 h VAL 110 N -0.18 1.20 -0.01 1.67 2.07 -0.97 -1.12 116.25 118.91 3ic1 h VAL 110 Ca 0.01 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.64 3ic1 h VAL 110 Cb 0.62 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 3ic1 h VAL 110 CO 0.02 0.28 0.01 0.00 0.02 0.00 0.00 177.57 177.90 3ic1 h ALA 111 N 1.58 0.02 -0.81 1.67 0.00 -1.02 -1.85 119.26 118.84 3ic1 h ALA 111 Ca 0.05 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.95 3ic1 h ALA 111 Cb 0.44 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 3ic1 h ALA 111 CO 0.03 -0.42 0.50 0.00 0.00 0.00 0.00 179.25 179.35 3ic1 h ALA 112 N 0.89 1.10 -0.29 0.00 0.00 -0.78 -1.83 119.26 118.34 3ic1 h ALA 112 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3ic1 h ALA 112 Cb 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3ic1 h ALA 112 CO -0.00 0.25 0.05 0.93 0.00 0.00 0.00 179.25 180.48 3ic1 h GLU 113 N 0.93 0.49 -0.02 0.00 5.08 -1.07 -1.97 114.58 118.02 3ic1 h GLU 113 Ca 0.35 -0.13 -0.13 0.00 -1.00 0.00 0.00 59.36 58.44 3ic1 h GLU 113 Cb 0.13 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3ic1 h GLU 113 CO -0.16 0.60 -0.60 0.93 -1.00 0.00 0.00 179.01 178.78 3ic1 h GLU 114 N 0.31 0.08 -0.00 2.33 4.39 -1.12 -1.89 114.58 118.68 3ic1 h GLU 114 Ca 0.09 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 3ic1 h GLU 114 Cb 0.35 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.00 3ic1 h GLU 114 CO 0.01 0.66 0.00 -0.92 -1.16 0.00 0.00 179.01 177.59 3ic1 h TYR 115 N 0.06 0.01 0.00 4.33 3.20 -1.21 -2.14 116.97 121.22 3ic1 h TYR 115 Ca -0.01 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.75 3ic1 h TYR 115 Cb 1.07 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.32 3ic1 h TYR 115 CO 0.01 0.30 -0.52 -0.39 -1.64 0.00 0.00 178.16 175.92 3ic1 h VAL 116 N -0.29 1.23 0.03 1.81 -1.51 -1.24 0.41 116.25 116.69 3ic1 h VAL 116 Ca 0.00 -1.87 -0.00 0.00 -1.23 0.00 0.00 66.70 63.60 3ic1 h VAL 116 Cb 0.30 2.05 0.00 0.00 -2.13 0.00 0.00 31.29 31.51 3ic1 h VAL 116 CO 0.00 0.51 -0.01 0.50 -1.23 0.00 0.00 177.57 177.34 3ic1 h LYS 117 N 0.00 -0.04 0.00 5.19 3.64 -1.37 -1.85 116.57 122.13 3ic1 h LYS 117 Ca -0.01 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3ic1 h LYS 117 Cb 1.01 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.83 3ic1 h LYS 117 CO 0.07 0.10 -0.06 0.00 -2.27 0.00 0.00 179.45 177.29 3ic1 h ALA 118 N 0.79 1.01 -2.06 5.00 0.00 -1.14 -3.38 119.26 119.49 3ic1 h ALA 118 Ca -0.00 -0.05 -0.50 0.00 0.00 0.00 0.00 54.91 54.35 3ic1 h ALA 118 Cb 0.16 -0.01 -0.40 0.00 0.00 0.00 0.00 17.79 17.54 3ic1 h ALA 118 CO 0.01 0.08 -1.09 0.09 0.00 0.00 0.00 179.25 178.33 3ic1 n ASN 119 N -3.18 1.52 0.23 0.00 3.02 0.11 -4.96 115.26 112.00 3ic1 n ASN 119 Ca 0.00 -3.13 0.14 0.00 -0.03 0.00 0.00 54.58 51.57 3ic1 n ASN 119 Cb 0.34 -0.61 0.80 0.00 -0.61 0.00 0.00 39.78 39.70 3ic1 n ASN 119 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3ic1 h PRO 120 N 3.03 0.00 -0.76 3.52 0.13 -1.54 0.88 132.00 137.25 3ic1 h PRO 120 Ca 0.11 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.79 3ic1 h PRO 120 Cb 0.88 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 31.76 3ic1 h PRO 120 CO 0.56 0.00 0.32 0.09 -0.23 0.00 0.00 178.00 178.74 3ic1 n ASN 121 N -4.07 4.30 -4.51 1.44 5.03 -1.26 -4.99 115.26 111.21 3ic1 n ASN 121 Ca -0.00 -3.73 -0.39 0.00 0.87 0.00 0.00 54.58 51.33 3ic1 n ASN 121 Cb 0.21 -0.76 0.03 0.00 -1.02 0.00 0.00 39.78 38.24 3ic1 n ASN 121 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3ic1 n HIS 122 N -1.05 -0.18 -1.67 3.10 1.44 0.30 -4.98 115.22 112.19 3ic1 n HIS 122 Ca 0.50 0.48 -0.31 0.00 -2.01 0.00 0.00 57.72 56.38 3ic1 n HIS 122 Cb 1.18 -2.02 0.04 0.00 0.12 0.00 0.00 29.99 29.30 3ic1 n HIS 122 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 3ic1 s LYS 123 N -2.12 3.15 1.38 -1.40 1.02 -1.26 -4.92 119.74 115.58 3ic1 s LYS 123 Ca 0.69 0.89 0.00 0.00 0.02 0.00 0.00 55.97 57.57 3ic1 s LYS 123 Cb -0.47 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 34.82 3ic1 s LYS 123 CO 0.54 -0.93 0.00 0.41 -0.92 0.00 0.00 175.35 174.45 3ic1 n GLY 124 N -2.23 -1.68 2.92 -3.33 0.00 -1.25 -4.85 105.19 94.77 3ic1 n GLY 124 Ca 0.07 -1.29 -0.23 0.00 0.00 0.00 0.00 46.02 44.57 3ic1 n GLY 124 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ic1 s THR 125 N 0.00 0.82 -0.21 2.61 2.01 -0.12 -4.12 115.64 116.63 3ic1 s THR 125 Ca 0.00 -0.24 -0.08 0.00 0.31 0.00 0.00 61.69 61.68 3ic1 s THR 125 Cb 0.00 -0.82 -0.04 0.00 0.01 0.00 0.00 72.50 71.65 3ic1 s THR 125 CO 0.00 0.30 0.08 -0.63 -0.69 0.00 0.00 174.62 173.68 3ic1 s ILE 126 N 1.15 4.77 0.05 1.82 1.01 -0.11 -0.48 121.20 129.41 3ic1 s ILE 126 Ca -0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 60.65 60.54 3ic1 s ILE 126 Cb -0.14 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.11 3ic1 s ILE 126 CO -0.01 0.41 -0.03 0.00 0.00 0.00 0.00 174.94 175.30 3ic1 s ALA 127 N 0.80 0.50 -0.08 9.38 0.00 -0.65 0.23 121.76 131.95 3ic1 s ALA 127 Ca 0.04 -1.18 0.01 0.00 0.00 0.00 0.00 51.96 50.84 3ic1 s ALA 127 Cb -0.13 0.26 0.02 0.00 0.00 0.00 0.00 23.12 23.26 3ic1 s ALA 127 CO 0.02 -0.35 -0.11 -0.51 0.00 0.00 0.00 175.76 174.81 3ic1 s LEU 128 N -2.84 1.51 -0.26 0.00 1.43 0.32 -0.70 118.68 118.14 3ic1 s LEU 128 Ca 0.06 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 3ic1 s LEU 128 Cb 0.07 -0.82 0.05 0.00 0.03 0.00 0.00 46.19 45.52 3ic1 s LEU 128 CO -0.09 -0.01 -0.07 -0.22 0.23 0.00 0.00 176.35 176.18 3ic1 s LEU 129 N 0.97 3.43 -0.10 1.79 0.20 0.53 -1.64 118.68 123.87 3ic1 s LEU 129 Ca -0.09 -1.20 0.00 0.00 0.69 0.00 0.00 54.13 53.53 3ic1 s LEU 129 Cb -0.15 -1.62 0.02 0.00 -0.43 0.00 0.00 46.19 44.02 3ic1 s LEU 129 CO 0.00 -0.18 -0.08 -0.63 -0.29 0.00 0.00 176.35 175.17 3ic1 s ILE 130 N 1.21 0.98 0.22 6.68 1.01 -0.72 -0.78 121.20 129.80 3ic1 s ILE 130 Ca -0.05 -0.29 0.08 0.00 0.00 0.00 0.00 60.65 60.39 3ic1 s ILE 130 Cb -0.19 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 41.26 3ic1 s ILE 130 CO -0.04 0.35 0.07 0.28 0.00 0.00 0.00 174.94 175.60 3ic1 s THR 131 N 1.48 3.94 -1.76 2.92 -1.32 -0.82 -0.53 115.64 119.55 3ic1 s THR 131 Ca 0.00 -1.53 0.20 0.00 -1.21 0.00 0.00 61.69 59.16 3ic1 s THR 131 Cb -0.13 -3.07 0.56 0.00 -1.51 0.00 0.00 72.50 68.35 3ic1 s THR 131 CO -0.05 -0.26 1.47 -1.54 -2.21 0.00 0.00 174.62 172.02 3ic1 n SER 132 N -0.69 3.70 -3.31 8.08 3.41 0.28 -1.56 113.62 123.52 3ic1 n SER 132 Ca -0.08 -2.00 -0.15 0.00 -0.26 0.00 0.00 58.87 56.38 3ic1 n SER 132 Cb 0.57 -0.42 -0.07 0.00 -0.26 0.00 0.00 64.21 64.04 3ic1 n SER 132 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ic1 s ASP 133 N -1.02 0.74 -0.13 4.04 -1.08 -1.26 -4.33 116.67 113.63 3ic1 s ASP 133 Ca 0.43 -1.63 0.07 0.00 -0.52 0.00 0.00 52.55 50.90 3ic1 s ASP 133 Cb 0.22 0.72 -0.13 0.00 -1.46 0.00 0.00 42.92 42.27 3ic1 s ASP 133 CO 0.29 -0.23 -0.02 1.21 0.52 0.00 0.00 175.17 176.95 3ic1 n GLU 134 N 4.06 1.49 0.13 4.34 0.00 -1.26 -4.27 120.64 125.14 3ic1 n GLU 134 Ca 0.13 0.03 0.01 0.00 0.00 0.00 0.00 57.16 57.33 3ic1 n GLU 134 Cb 0.47 -1.30 0.04 0.00 0.00 0.00 0.00 31.44 30.65 3ic1 n GLU 134 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 3ic1 h GLU 135 N 0.00 0.00 0.00 5.31 4.39 -1.90 -3.44 114.58 118.94 3ic1 h GLU 135 Ca -0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.37 3ic1 h GLU 135 Cb 1.66 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.31 3ic1 h GLU 135 CO -0.01 0.57 0.00 0.00 -1.16 0.00 0.00 179.01 178.42 3ic1 n ALA 136 N -2.26 0.00 -0.17 3.43 0.00 -1.26 -4.95 120.51 115.30 3ic1 n ALA 136 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.44 3ic1 n ALA 136 Cb 0.74 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.27 3ic1 n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ic1 h THR 137 N 0.00 0.68 -3.91 0.00 1.03 -1.92 -3.46 112.91 105.33 3ic1 h THR 137 Ca 0.00 -0.07 -0.40 0.00 -0.01 0.00 0.00 66.41 65.93 3ic1 h THR 137 Cb 0.00 0.45 0.04 0.00 -1.07 0.00 0.00 68.15 67.56 3ic1 h THR 137 CO 0.00 0.04 -0.57 0.00 -0.01 0.00 0.00 175.52 174.98 3ic1 n ALA 138 N -2.57 -0.84 0.02 0.00 0.00 -1.26 -4.90 120.51 110.96 3ic1 n ALA 138 Ca 0.06 0.25 -0.15 0.00 0.00 0.00 0.00 53.44 53.60 3ic1 n ALA 138 Cb 0.26 -3.33 -0.14 0.00 0.00 0.00 0.00 19.45 16.25 3ic1 n ALA 138 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3ic1 h LYS 139 N -0.97 0.16 -0.39 0.00 6.56 -1.90 -3.40 116.57 116.63 3ic1 h LYS 139 Ca -0.51 -0.28 -0.12 0.00 -1.06 0.00 0.00 60.65 58.69 3ic1 h LYS 139 Cb 1.36 0.10 -0.07 0.00 -0.57 0.00 0.00 32.23 33.05 3ic1 h LYS 139 CO 0.56 0.93 0.04 -0.25 -2.06 0.00 0.00 179.45 178.67 3ic1 n ASP 140 N -3.32 3.53 0.00 0.86 8.00 -1.26 -4.32 116.55 120.04 3ic1 n ASP 140 Ca -0.21 -3.34 0.00 0.00 0.71 0.00 0.00 54.79 51.96 3ic1 n ASP 140 Cb 1.04 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 3ic1 n ASP 140 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ic1 n GLY 141 N -0.70 0.86 0.36 0.44 0.00 -1.26 -4.47 105.19 100.41 3ic1 n GLY 141 Ca 0.30 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.35 3ic1 n GLY 141 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ic1 h THR 142 N 0.00 1.11 -0.73 2.61 2.02 -1.88 -1.80 112.91 114.25 3ic1 h THR 142 Ca 0.00 -0.34 -0.06 0.00 0.77 0.00 0.00 66.41 66.78 3ic1 h THR 142 Cb 0.00 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.43 3ic1 h THR 142 CO 0.00 0.18 0.22 -0.29 0.37 0.00 0.00 175.52 176.00 3ic1 h ILE 143 N 0.98 1.26 -0.50 3.11 6.09 -1.87 0.29 117.51 126.87 3ic1 h ILE 143 Ca 0.33 -0.92 -0.00 0.00 -1.37 0.00 0.00 64.86 62.90 3ic1 h ILE 143 Cb 0.07 0.48 -0.02 0.00 0.47 0.00 0.00 36.82 37.82 3ic1 h ILE 143 CO -0.10 0.36 0.30 -0.74 -3.07 0.00 0.00 178.15 174.90 3ic1 h HIS 144 N 1.08 0.67 -0.49 2.19 2.76 -1.54 0.25 115.15 120.07 3ic1 h HIS 144 Ca 0.23 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.32 3ic1 h HIS 144 Cb 0.32 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 29.04 3ic1 h HIS 144 CO 0.03 0.47 0.01 0.28 -1.30 0.00 0.00 177.93 177.42 3ic1 h VAL 145 N 0.67 1.24 -0.21 5.26 2.07 -0.79 -1.57 116.25 122.92 3ic1 h VAL 145 Ca 0.18 -1.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.63 3ic1 h VAL 145 Cb 0.00 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3ic1 h VAL 145 CO -0.03 0.36 -0.15 0.58 0.02 0.00 0.00 177.57 178.34 3ic1 h VAL 146 N 0.76 1.32 -0.65 2.57 2.07 -0.04 -1.81 116.25 120.47 3ic1 h VAL 146 Ca 0.15 -1.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.40 3ic1 h VAL 146 Cb 0.45 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 3ic1 h VAL 146 CO 0.02 0.39 0.39 -0.33 0.02 0.00 0.00 177.57 178.05 3ic1 h GLU 147 N 0.15 0.87 -0.22 1.57 5.08 -0.36 -0.23 114.58 121.44 3ic1 h GLU 147 Ca 0.04 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 3ic1 h GLU 147 Cb 0.67 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3ic1 h GLU 147 CO 0.04 0.62 -0.14 1.15 -1.00 0.00 0.00 179.01 179.68 3ic1 h THR 148 N 0.89 1.31 -0.54 1.13 2.02 -1.20 -0.67 112.91 115.86 3ic1 h THR 148 Ca 0.23 -1.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.16 3ic1 h THR 148 Cb -0.03 1.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 3ic1 h THR 148 CO -0.04 0.38 0.30 -0.07 0.37 0.00 0.00 175.52 176.46 3ic1 h LEU 149 N 0.19 0.66 -0.95 2.58 3.38 -0.95 -2.84 115.31 117.38 3ic1 h LEU 149 Ca 0.05 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3ic1 h LEU 149 Cb 0.66 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3ic1 h LEU 149 CO 0.04 0.55 0.10 0.24 0.09 0.00 0.00 178.44 179.46 3ic1 h MET 150 N 0.72 0.86 0.00 1.13 2.86 -0.97 -0.57 114.93 118.96 3ic1 h MET 150 Ca 0.19 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3ic1 h MET 150 Cb 0.03 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.57 3ic1 h MET 150 CO -0.03 0.80 -0.06 0.00 1.06 0.00 0.00 176.91 178.68 3ic1 h ALA 151 N 1.28 1.33 -0.23 6.32 0.00 -0.86 -0.54 119.26 126.56 3ic1 h ALA 151 Ca 0.17 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3ic1 h ALA 151 Cb 0.35 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3ic1 h ALA 151 CO 0.00 0.07 -0.06 2.89 0.00 0.00 0.00 179.25 182.16 3ic1 n ARG 152 N -3.62 2.17 -3.96 0.00 1.85 -1.07 -4.99 116.66 107.03 3ic1 n ARG 152 Ca -0.02 -2.94 -0.32 0.00 -1.00 0.00 0.00 57.85 53.57 3ic1 n ARG 152 Cb 0.16 -1.76 0.01 0.00 -1.05 0.00 0.00 32.46 29.82 3ic1 n ARG 152 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3ic1 n ASP 153 N -0.93 -4.30 -4.83 2.89 8.00 -0.21 -4.96 116.55 112.21 3ic1 n ASP 153 Ca 0.24 -0.82 -0.37 0.00 0.71 0.00 0.00 54.79 54.56 3ic1 n ASP 153 Cb 0.88 -3.46 -0.06 0.00 -0.02 0.00 0.00 41.12 38.46 3ic1 n ASP 153 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3ic1 s GLU 154 N -6.67 4.05 0.03 -1.24 2.12 -0.25 -5.01 118.70 111.74 3ic1 s GLU 154 Ca 0.67 0.57 0.01 0.00 0.36 0.00 0.00 54.97 56.59 3ic1 s GLU 154 Cb -0.35 -3.08 -0.04 0.00 0.26 0.00 0.00 34.13 30.93 3ic1 s GLU 154 CO 0.83 0.56 0.08 0.15 -0.54 0.00 0.00 175.26 176.34 3ic1 s LYS 155 N -1.55 2.98 -0.17 4.30 -0.14 -1.26 -4.44 119.74 119.46 3ic1 s LYS 155 Ca 0.33 -0.58 0.01 0.00 -1.36 0.00 0.00 55.97 54.37 3ic1 s LYS 155 Cb -0.17 -2.79 0.02 0.00 -1.68 0.00 0.00 37.83 33.21 3ic1 s LYS 155 CO 0.18 0.61 -0.20 0.42 -0.76 0.00 0.00 175.35 175.61 3ic1 s ILE 156 N -1.28 2.02 -0.09 2.17 1.01 -1.26 -4.82 121.20 118.94 3ic1 s ILE 156 Ca 0.26 -0.92 -0.17 0.00 0.00 0.00 0.00 60.65 59.82 3ic1 s ILE 156 Cb -0.12 -1.82 -0.14 0.00 0.01 0.00 0.00 42.46 40.39 3ic1 s ILE 156 CO 0.18 0.53 0.57 0.74 0.00 0.00 0.00 174.94 176.96 3ic1 h THR 157 N 5.93 0.87 -3.97 2.92 2.02 -1.45 -3.24 112.91 115.99 3ic1 h THR 157 Ca -0.43 -1.47 -0.48 0.00 0.77 0.00 0.00 66.41 64.81 3ic1 h THR 157 Cb 1.15 1.59 -0.22 0.00 -1.74 0.00 0.00 68.15 68.92 3ic1 h THR 157 CO 0.62 0.27 -0.80 -0.31 0.37 0.00 0.00 175.52 175.67 3ic1 s TYR 158 N -2.46 1.44 -0.08 3.16 2.02 -0.02 -1.54 117.35 119.86 3ic1 s TYR 158 Ca -0.11 -0.42 -0.05 0.00 -0.37 0.00 0.00 57.07 56.13 3ic1 s TYR 158 Cb -0.01 -0.81 0.04 0.00 -0.40 0.00 0.00 41.96 40.78 3ic1 s TYR 158 CO 0.39 0.10 0.19 0.00 -1.57 0.00 0.00 175.55 174.67 3ic1 s MET 160 N 0.98 2.78 -0.26 0.00 0.00 -0.34 -1.08 119.30 121.38 3ic1 s MET 160 Ca -0.07 -1.02 -0.15 0.00 0.00 0.00 0.00 55.69 54.45 3ic1 s MET 160 Cb -0.09 -3.02 -0.04 0.00 0.00 0.00 0.00 34.83 31.68 3ic1 s MET 160 CO -0.06 -0.43 0.37 0.08 0.00 0.00 0.00 175.02 174.98 3ic1 s VAL 161 N 1.32 5.18 -0.28 10.11 1.01 -0.57 -0.88 120.40 136.29 3ic1 s VAL 161 Ca -0.01 0.59 -0.01 0.00 0.00 0.00 0.00 61.98 62.55 3ic1 s VAL 161 Cb -0.17 -3.70 0.20 0.00 0.00 0.00 0.00 36.38 32.71 3ic1 s VAL 161 CO -0.04 0.18 1.97 0.61 0.00 0.00 0.00 175.10 177.82 3ic1 n GLY 162 N 4.54 3.86 3.77 4.51 0.00 -0.94 -2.16 105.19 118.77 3ic1 n GLY 162 Ca -0.09 -0.94 -0.38 0.00 0.00 0.00 0.00 46.02 44.62 3ic1 n GLY 162 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ic1 s GLU 163 N -1.60 3.83 -0.44 1.61 0.41 -1.26 -4.61 118.70 116.64 3ic1 s GLU 163 Ca 0.27 1.86 -0.27 0.00 -0.41 0.00 0.00 54.97 56.43 3ic1 s GLU 163 Cb 0.21 -2.52 -0.05 0.00 -1.78 0.00 0.00 34.13 29.99 3ic1 s GLU 163 CO -0.00 -0.51 2.22 -1.25 -0.49 0.00 0.00 175.26 175.23 3ic1 s PRO 164 N -2.54 2.52 -0.00 0.39 0.04 -1.26 -1.78 135.00 132.37 3ic1 s PRO 164 Ca 0.61 1.42 0.20 0.00 0.04 0.00 0.00 61.00 63.27 3ic1 s PRO 164 Cb -0.31 -4.47 -0.24 0.00 0.04 0.00 0.00 34.50 29.52 3ic1 s PRO 164 CO 0.38 -2.81 0.81 -1.13 0.04 0.00 0.00 177.00 174.29 3ic1 n SER 165 N 13.98 0.86 -4.74 6.66 3.41 -1.06 -4.40 113.62 128.34 3ic1 n SER 165 Ca 0.31 -0.85 -0.41 0.00 -0.26 0.00 0.00 58.87 57.67 3ic1 n SER 165 Cb 0.52 1.13 -0.05 0.00 -0.26 0.00 0.00 64.21 65.55 3ic1 n SER 165 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3ic1 s SER 166 N -3.12 7.46 -0.15 4.04 0.01 -0.82 -4.51 113.70 116.61 3ic1 s SER 166 Ca 0.06 1.92 -0.12 0.00 1.31 0.00 0.00 55.95 59.12 3ic1 s SER 166 Cb 0.15 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.74 3ic1 s SER 166 CO 0.84 -0.07 -0.23 0.00 0.41 0.00 0.00 173.24 174.20 3ic1 n ALA 167 N 2.36 0.57 -0.04 1.44 0.00 -1.26 -1.81 120.51 121.76 3ic1 n ALA 167 Ca 0.01 -0.54 -0.08 0.00 0.00 0.00 0.00 53.44 52.83 3ic1 n ALA 167 Cb 0.48 0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.91 3ic1 n ALA 167 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3ic1 n LYS 168 N -4.49 0.19 -4.52 0.00 5.02 -1.26 -4.74 118.16 108.37 3ic1 n LYS 168 Ca -0.09 0.07 -0.28 0.00 -2.02 0.00 0.00 58.31 55.99 3ic1 n LYS 168 Cb 0.34 -0.93 -0.13 0.00 -0.02 0.00 0.00 35.03 34.28 3ic1 n LYS 168 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3ic1 s ASN 169 N -5.47 3.03 0.18 4.39 0.01 -1.26 -5.07 114.94 110.74 3ic1 s ASN 169 Ca -0.12 -0.67 -0.33 0.00 -0.71 0.00 0.00 52.86 51.02 3ic1 s ASN 169 Cb 0.04 -0.22 -0.15 0.00 0.41 0.00 0.00 41.25 41.34 3ic1 s ASN 169 CO 0.17 0.17 1.38 -0.11 -1.51 0.00 0.00 177.10 177.20 3ic1 n LEU 170 N 1.26 2.46 0.00 0.60 7.94 -1.26 -1.65 117.00 126.35 3ic1 n LEU 170 Ca -0.18 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.84 3ic1 n LEU 170 Cb 0.53 -1.33 0.00 0.00 0.53 0.00 0.00 43.42 43.15 3ic1 n LEU 170 CO 0.23 -0.73 0.00 0.61 -1.11 0.00 0.00 177.39 176.39 3ic1 n GLY 171 N 2.51 0.84 0.21 -3.96 0.00 -1.26 -4.95 105.19 98.58 3ic1 n GLY 171 Ca 0.15 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.27 3ic1 n GLY 171 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3ic1 h ASP 172 N 0.00 0.00 -4.05 1.61 3.04 -1.66 -3.26 116.42 112.10 3ic1 h ASP 172 Ca 0.00 0.00 -0.40 0.00 -3.24 0.00 0.00 57.03 53.39 3ic1 h ASP 172 Cb 0.00 0.00 -0.29 0.00 -1.04 0.00 0.00 39.33 38.00 3ic1 h ASP 172 CO 0.00 0.15 -0.78 -0.69 -2.04 0.00 0.00 179.24 175.88 3ic1 s VAL 173 N -3.31 0.73 -0.07 4.15 1.01 -1.26 -1.06 120.40 120.59 3ic1 s VAL 173 Ca 0.04 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.64 3ic1 s VAL 173 Cb 0.07 -0.62 0.01 0.00 0.00 0.00 0.00 36.38 35.85 3ic1 s VAL 173 CO 0.66 0.20 -0.14 -0.69 0.00 0.00 0.00 175.10 175.13 3ic1 s VAL 174 N -0.23 1.26 -0.07 2.92 1.01 -0.33 -4.52 120.40 120.43 3ic1 s VAL 174 Ca 0.03 -0.56 -0.21 0.00 0.00 0.00 0.00 61.98 61.25 3ic1 s VAL 174 Cb -0.04 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 3ic1 s VAL 174 CO -0.00 0.38 0.62 -0.54 0.00 0.00 0.00 175.10 175.55 3ic1 s LYS 175 N 0.58 4.39 -0.09 2.72 -0.14 -0.56 -0.42 119.74 126.21 3ic1 s LYS 175 Ca -0.14 0.73 0.13 0.00 -1.36 0.00 0.00 55.97 55.32 3ic1 s LYS 175 Cb -0.16 -3.43 0.20 0.00 -1.68 0.00 0.00 37.83 32.77 3ic1 s LYS 175 CO 0.04 0.14 1.10 0.27 -0.76 0.00 0.00 175.35 176.15 3ic1 n ASN 176 N 3.58 1.56 0.00 2.83 6.94 -0.42 -0.86 115.26 128.90 3ic1 n ASN 176 Ca -0.04 -2.75 0.00 0.00 -0.02 0.00 0.00 54.58 51.77 3ic1 n ASN 176 Cb 0.51 -0.36 0.00 0.00 -2.36 0.00 0.00 39.78 37.58 3ic1 n ASN 176 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3ic1 n GLY 177 N -0.94 -0.94 3.60 4.83 0.00 -1.25 0.71 105.19 111.19 3ic1 n GLY 177 Ca 0.11 -1.23 -0.13 0.00 0.00 0.00 0.00 46.02 44.77 3ic1 n GLY 177 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ic1 s ARG 178 N -2.00 0.76 0.56 1.61 3.52 -0.19 -2.34 118.95 120.87 3ic1 s ARG 178 Ca 0.00 0.56 -0.19 0.00 -0.13 0.00 0.00 55.73 55.97 3ic1 s ARG 178 Cb 0.00 0.36 -0.05 0.00 -1.56 0.00 0.00 34.95 33.71 3ic1 s ARG 178 CO 0.00 -0.16 1.14 1.03 -0.81 0.00 0.00 175.30 176.50 3ic1 s ARG 179 N -0.30 3.24 0.76 5.12 0.52 -1.26 -1.33 118.95 125.69 3ic1 s ARG 179 Ca -0.02 1.62 -0.11 0.00 -0.52 0.00 0.00 55.73 56.69 3ic1 s ARG 179 Cb -0.03 -1.99 0.05 0.00 0.52 0.00 0.00 34.95 33.50 3ic1 s ARG 179 CO 0.01 -0.94 1.09 0.20 0.02 0.00 0.00 175.30 175.68 3ic1 s GLY 180 N -1.84 1.63 -0.04 -3.53 0.00 0.23 -4.54 107.32 99.24 3ic1 s GLY 180 Ca 0.73 -0.15 -0.01 0.00 0.00 0.00 0.00 44.72 45.28 3ic1 s GLY 180 CO 0.29 0.24 0.04 -0.45 0.00 0.00 0.00 173.10 173.22 3ic1 s SER 181 N -3.94 0.82 0.00 1.64 0.15 0.13 -1.19 113.70 111.32 3ic1 s SER 181 Ca 0.60 0.05 0.01 0.00 0.70 0.00 0.00 55.95 57.30 3ic1 s SER 181 Cb -0.14 -0.15 -0.00 0.00 -1.71 0.00 0.00 66.02 64.02 3ic1 s SER 181 CO 0.54 -0.20 -0.03 -0.51 1.20 0.00 0.00 173.24 174.24 3ic1 s ILE 182 N 1.76 0.20 -0.08 6.45 2.07 -0.93 -0.33 121.20 130.35 3ic1 s ILE 182 Ca -0.00 -0.21 0.03 0.00 -1.41 0.00 0.00 60.65 59.06 3ic1 s ILE 182 Cb -0.12 -0.20 0.01 0.00 0.13 0.00 0.00 42.46 42.28 3ic1 s ILE 182 CO -0.03 -0.01 -0.17 -0.89 -1.91 0.00 0.00 174.94 171.93 3ic1 s THR 183 N -0.22 1.51 -0.19 4.00 2.01 0.07 -0.69 115.64 122.13 3ic1 s THR 183 Ca -0.01 -0.69 -0.09 0.00 0.31 0.00 0.00 61.69 61.21 3ic1 s THR 183 Cb -0.02 -1.34 -0.05 0.00 0.01 0.00 0.00 72.50 71.10 3ic1 s THR 183 CO -0.00 0.44 0.10 -0.83 -0.69 0.00 0.00 174.62 173.64 3ic1 s GLY 184 N 0.59 1.98 -0.42 4.40 0.00 0.29 -1.04 107.32 113.12 3ic1 s GLY 184 Ca -0.15 -0.72 -0.07 0.00 0.00 0.00 0.00 44.72 43.78 3ic1 s GLY 184 CO 0.05 0.11 0.25 -1.31 0.00 0.00 0.00 173.10 172.20 3ic1 s ASN 185 N 0.39 5.48 -0.16 1.64 0.01 0.71 -2.42 114.94 120.58 3ic1 s ASN 185 Ca 0.06 -1.79 -0.03 0.00 -0.71 0.00 0.00 52.86 50.39 3ic1 s ASN 185 Cb -0.12 -1.92 -0.02 0.00 0.41 0.00 0.00 41.25 39.60 3ic1 s ASN 185 CO -0.01 -0.57 -0.06 -0.22 -1.51 0.00 0.00 177.10 174.74 3ic1 s LEU 186 N 1.30 3.11 -0.23 0.60 2.96 -0.13 -0.96 118.68 125.32 3ic1 s LEU 186 Ca 0.05 -0.19 0.02 0.00 -0.22 0.00 0.00 54.13 53.78 3ic1 s LEU 186 Cb -0.24 -1.75 0.05 0.00 0.50 0.00 0.00 46.19 44.76 3ic1 s LEU 186 CO -0.01 0.15 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.75 3ic1 s TYR 187 N 0.48 2.89 -0.25 5.38 2.02 0.22 -0.62 117.35 127.46 3ic1 s TYR 187 Ca -0.05 -1.99 -0.15 0.00 -0.37 0.00 0.00 57.07 54.51 3ic1 s TYR 187 Cb -0.15 -1.81 -0.04 0.00 -0.40 0.00 0.00 41.96 39.56 3ic1 s TYR 187 CO 0.03 -0.83 0.38 0.42 -1.57 0.00 0.00 175.55 173.98 3ic1 s ILE 188 N 1.23 5.18 0.44 2.71 -1.09 0.11 -1.28 121.20 128.52 3ic1 s ILE 188 Ca -0.05 0.60 -0.01 0.00 -2.23 0.00 0.00 60.65 58.96 3ic1 s ILE 188 Cb -0.18 -3.70 -0.02 0.00 -1.58 0.00 0.00 42.46 36.98 3ic1 s ILE 188 CO -0.07 0.18 0.68 0.00 -1.23 0.00 0.00 174.94 174.50 3ic1 s GLN 189 N 1.87 3.25 -0.79 2.79 0.00 -1.15 -1.34 119.66 124.29 3ic1 s GLN 189 Ca 0.16 -0.28 -0.04 0.00 -0.00 0.00 0.00 55.36 55.20 3ic1 s GLN 189 Cb -0.15 -2.53 0.00 0.00 0.00 0.00 0.00 33.01 30.33 3ic1 s GLN 189 CO 0.09 -0.18 0.51 0.41 0.00 0.00 0.00 175.29 176.12 3ic1 n GLY 190 N -2.08 0.08 2.65 2.60 0.00 -1.07 -4.88 105.19 102.50 3ic1 n GLY 190 Ca -0.00 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 3ic1 n GLY 190 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3ic1 n ILE 191 N -3.90 4.51 -3.66 -0.61 -5.35 -0.83 -4.68 119.36 104.83 3ic1 n ILE 191 Ca -0.02 -3.95 -0.15 0.00 -0.27 0.00 0.00 62.75 58.36 3ic1 n ILE 191 Cb 0.55 -2.34 -0.14 0.00 -1.74 0.00 0.00 39.64 35.97 3ic1 n ILE 191 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3ic1 s GLN 192 N 0.50 0.10 -0.30 6.28 1.11 -1.26 -4.75 119.66 121.34 3ic1 s GLN 192 Ca 0.49 0.67 -0.27 0.00 0.01 0.00 0.00 55.36 56.26 3ic1 s GLN 192 Cb 0.14 -0.14 -0.12 0.00 -1.01 0.00 0.00 33.01 31.88 3ic1 s GLN 192 CO -0.05 -0.30 1.12 2.48 0.01 0.00 0.00 175.29 178.55 3ic1 n TYR 197 N 5.34 0.88 -1.80 0.91 0.18 -1.26 -5.11 117.16 116.30 3ic1 n TYR 197 Ca -0.05 0.58 -0.30 0.00 1.88 0.00 0.00 57.90 60.00 3ic1 n TYR 197 Cb 0.50 -1.35 0.05 0.00 -0.38 0.00 0.00 39.34 38.15 3ic1 n TYR 197 CO 0.00 0.00 0.00 -1.25 -2.08 0.00 0.00 176.86 173.53 3ic1 s PRO 198 N 2.69 2.89 -0.85 -3.48 0.04 -1.26 -5.01 135.00 130.02 3ic1 s PRO 198 Ca 0.67 0.59 -0.03 0.00 0.04 0.00 0.00 61.00 62.28 3ic1 s PRO 198 Cb -0.90 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 31.60 3ic1 s PRO 198 CO 0.44 -1.04 0.72 0.72 0.04 0.00 0.00 177.00 177.88 3ic1 n HIS 199 N -3.04 -1.78 0.22 0.56 8.25 -1.26 -4.95 115.22 113.23 3ic1 n HIS 199 Ca 0.07 0.68 0.09 0.00 -0.26 0.00 0.00 57.72 58.29 3ic1 n HIS 199 Cb 0.56 -4.01 0.50 0.00 1.12 0.00 0.00 29.99 28.17 3ic1 n HIS 199 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3ic1 h LEU 200 N -1.09 0.00 -1.26 2.41 3.38 -2.01 -3.11 115.31 113.63 3ic1 h LEU 200 Ca -0.46 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.45 3ic1 h LEU 200 Cb 1.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 3ic1 h LEU 200 CO 0.35 0.25 -0.30 0.00 0.09 0.00 0.00 178.44 178.83 3ic1 h ALA 201 N 1.75 1.15 -0.00 1.53 0.00 -2.02 -2.97 119.26 118.69 3ic1 h ALA 201 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3ic1 h ALA 201 Cb 0.64 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3ic1 h ALA 201 CO 0.03 0.38 -0.02 0.39 0.00 0.00 0.00 179.25 180.04 3ic1 n GLU 202 N -3.68 0.94 -1.68 0.00 1.02 -1.17 -4.56 120.64 111.51 3ic1 n GLU 202 Ca -0.01 -0.15 -0.45 0.00 -0.02 0.00 0.00 57.16 56.53 3ic1 n GLU 202 Cb 0.41 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.30 3ic1 n GLU 202 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3ic1 n ASN 203 N -0.90 3.49 0.26 1.62 5.15 -1.13 -4.87 115.26 118.89 3ic1 n ASN 203 Ca 0.20 1.05 0.11 0.00 -0.60 0.00 0.00 54.58 55.35 3ic1 n ASN 203 Cb 0.19 -1.47 0.72 0.00 -0.53 0.00 0.00 39.78 38.69 3ic1 n ASN 203 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3ic1 h PRO 204 N 6.95 0.00 -0.17 1.20 0.11 -1.90 -1.40 132.00 136.79 3ic1 h PRO 204 Ca -0.45 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.53 3ic1 h PRO 204 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3ic1 h PRO 204 CO 0.92 0.10 -0.45 0.82 -0.21 0.00 0.00 178.00 179.18 3ic1 h ILE 205 N 0.00 1.32 -0.37 4.15 2.04 -1.93 0.10 117.51 122.83 3ic1 h ILE 205 Ca -0.00 -1.64 -0.08 0.00 1.00 0.00 0.00 64.86 64.15 3ic1 h ILE 205 Cb 0.24 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 3ic1 h ILE 205 CO 0.01 0.50 -0.07 -0.74 0.00 0.00 0.00 178.15 177.86 3ic1 h HIS 206 N 0.34 0.77 -0.49 1.37 2.76 -1.64 0.41 115.15 118.67 3ic1 h HIS 206 Ca 0.02 -0.16 -0.08 0.00 -2.20 0.00 0.00 60.37 57.96 3ic1 h HIS 206 Cb 0.93 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.67 3ic1 h HIS 206 CO 0.03 0.83 -0.01 0.87 -1.30 0.00 0.00 177.93 178.35 3ic1 h LYS 207 N 0.49 0.83 -0.94 5.26 1.57 -1.16 -2.00 116.57 120.62 3ic1 h LYS 207 Ca 0.10 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3ic1 h LYS 207 Cb 0.57 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.74 3ic1 h LYS 207 CO 0.03 0.84 0.59 0.00 -0.57 0.00 0.00 179.45 180.34 3ic1 h ALA 208 N 1.22 1.19 -0.55 3.86 0.00 -0.56 -1.25 119.26 123.16 3ic1 h ALA 208 Ca 0.15 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 3ic1 h ALA 208 Cb 0.48 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3ic1 h ALA 208 CO 0.02 0.61 -0.09 0.00 0.00 0.00 0.00 179.25 179.80 3ic1 h ALA 209 N 1.33 0.75 -0.38 0.00 0.00 -0.46 -0.78 119.26 119.71 3ic1 h ALA 209 Ca 0.34 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ic1 h ALA 209 Cb -0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3ic1 h ALA 209 CO -0.07 0.65 0.25 -0.07 0.00 0.00 0.00 179.25 180.01 3ic1 h LEU 210 N 0.91 0.45 -0.91 0.00 3.38 -1.14 -1.40 115.31 116.59 3ic1 h LEU 210 Ca 0.14 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.13 3ic1 h LEU 210 Cb 0.66 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.24 3ic1 h LEU 210 CO 0.05 0.34 0.59 0.15 0.09 0.00 0.00 178.44 179.65 3ic1 h PHE 211 N 0.51 1.10 -0.41 1.13 3.57 -1.00 -2.58 116.94 119.26 3ic1 h PHE 211 Ca 0.14 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.56 3ic1 h PHE 211 Cb -0.04 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.32 3ic1 h PHE 211 CO -0.05 0.62 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.39 3ic1 h LEU 212 N 1.12 0.81 -0.90 0.59 3.38 -0.52 0.11 115.31 119.91 3ic1 h LEU 212 Ca 0.37 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 3ic1 h LEU 212 Cb 0.05 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3ic1 h LEU 212 CO -0.13 0.99 -0.11 0.06 0.09 0.00 0.00 178.44 179.34 3ic1 h GLN 213 N 0.71 0.69 -0.20 1.13 -0.00 -1.08 -0.96 115.11 115.40 3ic1 h GLN 213 Ca 0.10 -0.22 -0.14 0.00 -0.00 0.00 0.00 58.65 58.40 3ic1 h GLN 213 Cb 0.70 -0.06 0.00 0.00 -0.00 0.00 0.00 27.48 28.12 3ic1 h GLN 213 CO 0.05 0.78 -0.41 1.49 -0.00 0.00 0.00 178.83 180.74 3ic1 h GLU 214 N 0.63 0.64 -0.75 0.06 4.81 -1.02 -2.62 114.58 116.33 3ic1 h GLU 214 Ca 0.11 -0.41 -0.05 0.00 -0.13 0.00 0.00 59.36 58.87 3ic1 h GLU 214 Cb 0.56 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 3ic1 h GLU 214 CO 0.03 1.03 0.27 1.25 -0.73 0.00 0.00 179.01 180.86 3ic1 h LEU 215 N 0.32 1.06 -0.22 1.64 5.85 -0.60 -0.42 115.31 122.95 3ic1 h LEU 215 Ca 0.01 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.54 3ic1 h LEU 215 Cb 1.02 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.77 3ic1 h LEU 215 CO 0.09 0.96 0.00 0.35 -0.34 0.00 0.00 178.44 179.50 3ic1 n THR 216 N -4.29 0.61 0.20 1.05 -2.24 -0.38 -3.51 114.28 105.71 3ic1 n THR 216 Ca 0.06 -0.03 0.07 0.00 -2.27 0.00 0.00 64.05 61.89 3ic1 n THR 216 Cb 0.20 -0.79 -0.11 0.00 -2.10 0.00 0.00 70.33 67.54 3ic1 n THR 216 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3ic1 n THR 217 N -2.06 0.00 -1.72 4.28 -2.24 -0.99 -5.00 114.28 106.54 3ic1 n THR 217 Ca 0.05 -0.29 -0.42 0.00 -2.27 0.00 0.00 64.05 61.11 3ic1 n THR 217 Cb 0.33 0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 68.93 3ic1 n THR 217 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3ic1 s TYR 218 N -2.86 2.86 -0.34 4.78 5.04 -0.20 -4.97 117.35 121.66 3ic1 s TYR 218 Ca -0.02 0.31 -0.15 0.00 -2.44 0.00 0.00 57.07 54.77 3ic1 s TYR 218 Cb 0.10 -4.15 -0.01 0.00 0.35 0.00 0.00 41.96 38.25 3ic1 s TYR 218 CO 0.62 -4.38 0.33 -1.14 -1.34 0.00 0.00 175.55 169.64 3ic1 s GLN 219 N 1.26 3.55 0.04 4.97 0.74 -1.26 -4.96 119.66 124.00 3ic1 s GLN 219 Ca 0.75 -0.47 -0.13 0.00 0.05 0.00 0.00 55.36 55.56 3ic1 s GLN 219 Cb -0.50 -3.80 -0.34 0.00 1.10 0.00 0.00 33.01 29.47 3ic1 s GLN 219 CO 0.32 -0.51 1.02 -1.49 -0.55 0.00 0.00 175.29 174.09 3ic1 h TRP 220 N 8.47 0.89 -2.48 1.67 4.06 -1.93 -3.48 115.95 123.14 3ic1 h TRP 220 Ca -0.30 -0.65 0.16 0.00 2.06 0.00 0.00 58.89 60.16 3ic1 h TRP 220 Cb 1.15 -0.04 -0.05 0.00 -1.00 0.00 0.00 29.16 29.22 3ic1 h TRP 220 CO 0.68 1.51 0.51 0.16 -3.56 0.00 0.00 178.44 177.75 3ic1 s ASP 221 N -7.50 -0.08 -0.30 -3.49 1.47 -1.26 -4.91 116.67 100.61 3ic1 s ASP 221 Ca -0.08 -0.59 0.11 0.00 1.18 0.00 0.00 52.55 53.16 3ic1 s ASP 221 Cb 0.05 0.52 0.68 0.00 -0.34 0.00 0.00 42.92 43.83 3ic1 s ASP 221 CO 0.93 -1.01 1.70 0.29 0.68 0.00 0.00 175.17 177.77 3ic1 n LYS 222 N -0.58 3.33 0.00 2.11 5.02 -1.26 -4.49 118.16 122.28 3ic1 n LYS 222 Ca -0.05 -3.07 0.00 0.00 -2.02 0.00 0.00 58.31 53.18 3ic1 n LYS 222 Cb 0.60 -2.10 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 3ic1 n LYS 222 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ic1 n GLY 223 N -0.36 1.01 3.04 0.72 0.00 -1.26 -4.49 105.19 103.84 3ic1 n GLY 223 Ca 0.37 -0.60 -0.00 0.00 0.00 0.00 0.00 46.02 45.78 3ic1 n GLY 223 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ic1 n ASN 224 N -3.13 -1.14 -0.24 1.61 0.23 -0.12 -4.91 115.26 107.56 3ic1 n ASN 224 Ca 0.00 -1.46 0.09 0.00 -0.53 0.00 0.00 54.58 52.69 3ic1 n ASN 224 Cb 0.00 1.83 0.19 0.00 -2.08 0.00 0.00 39.78 39.71 3ic1 n ASN 224 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3ic1 n GLU 225 N -0.64 -0.05 -0.00 -3.83 1.02 -1.26 -2.28 120.64 113.60 3ic1 n GLU 225 Ca 0.01 1.02 0.10 0.00 -0.02 0.00 0.00 57.16 58.26 3ic1 n GLU 225 Cb 0.45 -1.61 -0.14 0.00 -0.02 0.00 0.00 31.44 30.13 3ic1 n GLU 225 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3ic1 n PHE 226 N -4.93 0.00 -4.10 -0.32 3.72 -1.26 -4.97 117.46 105.60 3ic1 n PHE 226 Ca 0.15 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.41 3ic1 n PHE 226 Cb 0.50 -0.24 -0.14 0.00 -0.94 0.00 0.00 39.48 38.66 3ic1 n PHE 226 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3ic1 s PHE 227 N -3.15 0.46 1.06 1.38 0.08 -0.96 -4.73 117.98 112.12 3ic1 s PHE 227 Ca -0.00 -0.19 -0.12 0.00 0.12 0.00 0.00 56.93 56.74 3ic1 s PHE 227 Cb 0.14 -0.29 0.23 0.00 -0.57 0.00 0.00 43.02 42.53 3ic1 s PHE 227 CO 0.83 -0.03 1.06 -1.25 -0.10 0.00 0.00 175.22 175.73 3ic1 s PRO 228 N -0.48 -0.11 0.72 0.24 0.04 -1.26 -0.94 135.00 133.20 3ic1 s PRO 228 Ca -0.01 0.80 -0.15 0.00 0.04 0.00 0.00 61.00 61.68 3ic1 s PRO 228 Cb -0.04 -1.65 0.03 0.00 0.04 0.00 0.00 34.50 32.88 3ic1 s PRO 228 CO -0.00 -3.17 1.18 -2.14 0.04 0.00 0.00 177.00 172.91 3ic1 s PRO 229 N -4.68 2.26 0.23 0.56 0.02 -1.26 -4.41 135.00 127.72 3ic1 s PRO 229 Ca 0.67 1.66 -0.32 0.00 0.02 0.00 0.00 61.00 63.04 3ic1 s PRO 229 Cb -0.22 -1.86 -0.13 0.00 0.02 0.00 0.00 34.50 32.32 3ic1 s PRO 229 CO 0.61 -1.72 1.59 2.41 -0.33 0.00 0.00 177.00 179.56 3ic1 n THR 230 N -2.70 0.51 -4.90 0.99 -1.04 -1.26 -4.85 114.28 101.03 3ic1 n THR 230 Ca 0.13 -0.13 -0.33 0.00 -2.04 0.00 0.00 64.05 61.68 3ic1 n THR 230 Cb 0.51 -1.79 -0.13 0.00 -1.82 0.00 0.00 70.33 67.09 3ic1 n THR 230 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3ic1 s SER 231 N 0.73 3.96 -0.11 8.00 1.04 -0.84 -4.68 113.70 121.80 3ic1 s SER 231 Ca 0.71 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.91 3ic1 s SER 231 Cb -0.57 -0.96 -0.02 0.00 0.10 0.00 0.00 66.02 64.58 3ic1 s SER 231 CO 0.42 0.31 -0.11 -0.22 0.98 0.00 0.00 173.24 174.62 3ic1 s LEU 232 N -0.53 2.84 -0.06 2.42 0.20 -1.26 -1.10 118.68 121.19 3ic1 s LEU 232 Ca 0.07 -0.24 0.06 0.00 0.69 0.00 0.00 54.13 54.71 3ic1 s LEU 232 Cb -0.12 -1.63 -0.01 0.00 -0.43 0.00 0.00 46.19 44.00 3ic1 s LEU 232 CO 0.01 0.22 -0.23 -1.58 -0.29 0.00 0.00 176.35 174.48 3ic1 s GLN 233 N 0.01 2.39 -0.39 1.98 0.74 0.12 -5.00 119.66 119.52 3ic1 s GLN 233 Ca -0.03 -0.84 -0.25 0.00 0.05 0.00 0.00 55.36 54.29 3ic1 s GLN 233 Cb -0.14 -2.03 0.02 0.00 1.10 0.00 0.00 33.01 31.96 3ic1 s GLN 233 CO 0.04 0.35 0.89 0.42 -0.55 0.00 0.00 175.29 176.43 3ic1 s ILE 234 N -0.11 4.60 -0.14 -2.34 -1.09 -1.26 -1.15 121.20 119.71 3ic1 s ILE 234 Ca -0.04 1.02 -0.25 0.00 -2.23 0.00 0.00 60.65 59.14 3ic1 s ILE 234 Cb -0.13 -4.32 -0.25 0.00 -1.58 0.00 0.00 42.46 36.17 3ic1 s ILE 234 CO 0.03 -0.57 0.64 0.00 -1.23 0.00 0.00 174.94 173.81 3ic1 h ALA 235 N 8.60 0.06 -2.86 9.38 0.00 -0.37 -3.48 119.26 130.59 3ic1 h ALA 235 Ca -0.24 -0.73 -0.15 0.00 0.00 0.00 0.00 54.91 53.79 3ic1 h ALA 235 Cb 1.08 0.22 -0.23 0.00 0.00 0.00 0.00 17.79 18.86 3ic1 h ALA 235 CO 0.97 0.27 -0.40 -0.80 0.00 0.00 0.00 179.25 179.29 3ic1 s ASN 236 N -6.51 -0.17 -0.07 0.00 0.01 -0.83 -4.98 114.94 102.39 3ic1 s ASN 236 Ca -0.21 0.21 0.01 0.00 -0.71 0.00 0.00 52.86 52.16 3ic1 s ASN 236 Cb 0.00 0.38 0.02 0.00 0.41 0.00 0.00 41.25 42.06 3ic1 s ASN 236 CO 0.69 -0.26 -0.08 -0.63 -1.51 0.00 0.00 177.10 175.31 3ic1 s ILE 237 N -0.65 0.91 -0.13 0.60 1.01 -1.26 -0.22 121.20 121.46 3ic1 s ILE 237 Ca -0.07 -0.31 -0.04 0.00 0.00 0.00 0.00 60.65 60.23 3ic1 s ILE 237 Cb -0.04 -0.89 0.06 0.00 0.01 0.00 0.00 42.46 41.60 3ic1 s ILE 237 CO 0.02 0.32 0.20 -2.28 0.00 0.00 0.00 174.94 173.19 3ic1 s HIS 238 N 1.06 -0.25 -0.05 3.97 2.46 0.09 -5.01 115.29 117.55 3ic1 s HIS 238 Ca -0.08 0.59 -0.02 0.00 0.47 0.00 0.00 55.06 56.02 3ic1 s HIS 238 Cb -0.14 -0.24 0.03 0.00 -0.13 0.00 0.00 32.58 32.10 3ic1 s HIS 238 CO -0.01 -0.38 0.11 0.00 -2.47 0.00 0.00 174.74 171.99 3ic1 s ALA 239 N 2.33 -0.17 0.00 1.58 0.00 -1.26 -0.88 121.76 123.35 3ic1 s ALA 239 Ca 0.03 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.50 3ic1 s ALA 239 Cb -0.13 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.65 3ic1 s ALA 239 CO -0.08 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 175.97 3ic1 n GLY 240 N 3.96 1.98 0.01 0.00 0.00 -1.26 -4.91 105.19 104.96 3ic1 n GLY 240 Ca -0.24 -1.72 0.11 0.00 0.00 0.00 0.00 46.02 44.17 3ic1 n GLY 240 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ic1 n THR 241 N 1.85 0.03 0.00 2.61 -1.04 -1.26 -4.97 114.28 111.50 3ic1 n THR 241 Ca 0.00 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 3ic1 n THR 241 Cb 0.00 0.59 0.00 0.00 -1.82 0.00 0.00 70.33 69.10 3ic1 n THR 241 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ic1 n GLY 242 N 1.42 1.82 0.00 3.41 0.00 -1.26 -5.19 105.19 105.38 3ic1 n GLY 242 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3ic1 n GLY 242 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ic1 n SER 243 N 0.00 0.00 -2.39 1.61 3.41 -1.26 -5.26 113.62 109.73 3ic1 n SER 243 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.60 3ic1 n SER 243 Cb 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3ic1 n SER 243 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3ic1 n VAL 246 N 0.00 -3.97 -2.57 -3.33 0.31 -1.26 -5.08 118.33 102.43 3ic1 n VAL 246 Ca 0.00 0.86 -0.42 0.00 -0.01 0.00 0.00 64.34 64.77 3ic1 n VAL 246 Cb 0.00 -3.08 -0.03 0.00 -0.91 0.00 0.00 33.84 29.83 3ic1 n VAL 246 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3ic1 s ILE 247 N -0.17 4.48 0.34 2.52 -1.09 -1.26 -4.72 121.20 121.30 3ic1 s ILE 247 Ca -0.03 1.78 -0.27 0.00 -2.23 0.00 0.00 60.65 59.90 3ic1 s ILE 247 Cb 0.00 -4.14 -0.09 0.00 -1.58 0.00 0.00 42.46 36.65 3ic1 s ILE 247 CO 0.08 0.10 1.13 -2.16 -1.23 0.00 0.00 174.94 172.86 3ic1 s PRO 248 N 1.36 4.38 0.04 2.79 0.04 -1.26 -4.95 135.00 137.39 3ic1 s PRO 248 Ca 0.54 1.81 0.06 0.00 0.04 0.00 0.00 61.00 63.45 3ic1 s PRO 248 Cb -0.24 -2.93 -0.24 0.00 0.04 0.00 0.00 34.50 31.13 3ic1 s PRO 248 CO 0.26 -0.03 0.97 0.00 0.04 0.00 0.00 177.00 178.24 3ic1 h ALA 249 N 3.24 0.45 -3.73 8.56 0.00 -1.94 -3.42 119.26 122.42 3ic1 h ALA 249 Ca -0.48 -1.14 -0.54 0.00 0.00 0.00 0.00 54.91 52.76 3ic1 h ALA 249 Cb 1.22 0.17 -0.23 0.00 0.00 0.00 0.00 17.79 18.95 3ic1 h ALA 249 CO 0.65 1.32 -0.82 -1.21 0.00 0.00 0.00 179.25 179.18 3ic1 s GLU 250 N -2.65 1.13 -0.18 0.00 2.02 -1.26 -1.97 118.70 115.78 3ic1 s GLU 250 Ca -0.04 -1.06 -0.05 0.00 0.02 0.00 0.00 54.97 53.84 3ic1 s GLU 250 Cb 0.08 -1.31 -0.03 0.00 0.10 0.00 0.00 34.13 32.97 3ic1 s GLU 250 CO 0.83 0.31 0.01 -1.17 0.02 0.00 0.00 175.26 175.27 3ic1 s LEU 251 N -1.68 3.43 -0.19 1.80 2.96 -0.45 -4.56 118.68 119.99 3ic1 s LEU 251 Ca 0.05 -0.10 -0.06 0.00 -0.22 0.00 0.00 54.13 53.81 3ic1 s LEU 251 Cb -0.10 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 3ic1 s LEU 251 CO 0.03 0.12 0.03 -0.47 -1.32 0.00 0.00 176.35 174.74 3ic1 s TYR 252 N 0.66 3.13 -0.11 5.38 5.04 -0.06 0.09 117.35 131.47 3ic1 s TYR 252 Ca 0.00 -0.18 0.02 0.00 -2.44 0.00 0.00 57.07 54.47 3ic1 s TYR 252 Cb -0.14 -2.07 0.01 0.00 0.35 0.00 0.00 41.96 40.11 3ic1 s TYR 252 CO 0.02 -0.04 -0.18 0.42 -1.34 0.00 0.00 175.55 174.44 3ic1 s ILE 253 N 0.66 1.65 -0.13 3.14 1.01 0.21 -0.73 121.20 127.01 3ic1 s ILE 253 Ca 0.01 -0.75 -0.00 0.00 0.00 0.00 0.00 60.65 59.91 3ic1 s ILE 253 Cb -0.14 -1.48 -0.02 0.00 0.01 0.00 0.00 42.46 40.83 3ic1 s ILE 253 CO 0.02 0.47 -0.12 -1.58 0.00 0.00 0.00 174.94 173.73 3ic1 s GLN 254 N 0.81 3.38 0.04 2.79 0.74 0.69 -0.96 119.66 127.16 3ic1 s GLN 254 Ca -0.10 -0.66 0.02 0.00 0.05 0.00 0.00 55.36 54.68 3ic1 s GLN 254 Cb -0.16 -2.66 -0.02 0.00 1.10 0.00 0.00 33.01 31.27 3ic1 s GLN 254 CO 0.01 0.25 -0.08 -0.59 -0.55 0.00 0.00 175.29 174.32 3ic1 s PHE 255 N 0.28 0.69 -0.03 1.67 -0.12 -1.02 0.43 117.98 119.87 3ic1 s PHE 255 Ca -0.09 -0.52 0.04 0.00 -0.05 0.00 0.00 56.93 56.31 3ic1 s PHE 255 Cb -0.15 -0.41 -0.00 0.00 -0.63 0.00 0.00 43.02 41.82 3ic1 s PHE 255 CO 0.05 -0.09 -0.15 1.21 -0.05 0.00 0.00 175.22 176.20 3ic1 s ASN 256 N -1.65 1.84 -0.16 1.98 2.47 -0.30 -0.55 114.94 118.57 3ic1 s ASN 256 Ca -0.09 -0.29 -0.03 0.00 0.42 0.00 0.00 52.86 52.86 3ic1 s ASN 256 Cb -0.09 -0.44 -0.02 0.00 -1.45 0.00 0.00 41.25 39.25 3ic1 s ASN 256 CO 0.00 0.14 -0.05 -0.76 -3.72 0.00 0.00 177.10 172.71 3ic1 s LEU 257 N -0.01 3.15 -0.46 3.21 1.02 0.14 -0.70 118.68 125.02 3ic1 s LEU 257 Ca -0.01 -0.18 -0.16 0.00 0.02 0.00 0.00 54.13 53.79 3ic1 s LEU 257 Cb -0.09 -1.76 0.05 0.00 0.02 0.00 0.00 46.19 44.41 3ic1 s LEU 257 CO 0.01 0.14 0.41 -0.13 0.02 0.00 0.00 176.35 176.80 3ic1 s ARG 258 N 0.51 3.01 0.19 1.70 1.81 -0.26 -2.19 118.95 123.72 3ic1 s ARG 258 Ca -0.04 -1.16 0.10 0.00 -1.72 0.00 0.00 55.73 52.90 3ic1 s ARG 258 Cb -0.14 -4.08 -0.04 0.00 -0.45 0.00 0.00 34.95 30.23 3ic1 s ARG 258 CO 0.03 -0.97 -0.13 1.52 -0.68 0.00 0.00 175.30 175.06 3ic1 s TYR 259 N 1.82 2.54 0.46 -0.53 -0.85 -0.33 -1.98 117.35 118.47 3ic1 s TYR 259 Ca 0.06 -0.26 0.05 0.00 -0.52 0.00 0.00 57.07 56.41 3ic1 s TYR 259 Cb -0.22 -1.24 0.05 0.00 0.38 0.00 0.00 41.96 40.94 3ic1 s TYR 259 CO 0.09 0.52 0.45 0.00 -1.52 0.00 0.00 175.55 175.08 3ic1 h THR 261 N 0.44 0.00 0.00 0.00 1.35 -1.94 -2.36 112.91 110.41 3ic1 h THR 261 Ca -0.26 -0.17 -0.03 0.00 -0.55 0.00 0.00 66.41 65.39 3ic1 h THR 261 Cb 1.03 0.87 -0.00 0.00 -1.73 0.00 0.00 68.15 68.31 3ic1 h THR 261 CO 0.40 0.00 -0.16 -0.33 -0.25 0.00 0.00 175.52 175.18 3ic1 h GLU 262 N 0.00 0.00 -6.34 4.72 4.39 -1.95 -3.43 114.58 111.97 3ic1 h GLU 262 Ca 0.00 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 59.09 3ic1 h GLU 262 Cb 0.24 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 28.71 3ic1 h GLU 262 CO 0.00 0.16 -0.80 0.14 -1.16 0.00 0.00 179.01 177.35 3ic1 s VAL 263 N -4.60 2.20 0.44 3.13 -7.23 -0.89 -5.04 120.40 108.41 3ic1 s VAL 263 Ca -0.04 -2.05 0.07 0.00 -1.81 0.00 0.00 61.98 58.15 3ic1 s VAL 263 Cb 0.15 -2.06 -0.01 0.00 0.56 0.00 0.00 36.38 35.02 3ic1 s VAL 263 CO 0.68 -0.22 0.36 0.42 -0.31 0.00 0.00 175.10 176.03 3ic1 s THR 264 N -1.92 2.42 0.22 5.32 -4.23 -1.26 -4.70 115.64 111.49 3ic1 s THR 264 Ca 0.20 -1.41 -0.03 0.00 -1.18 0.00 0.00 61.69 59.28 3ic1 s THR 264 Cb -0.07 -2.83 0.03 0.00 1.34 0.00 0.00 72.50 70.97 3ic1 s THR 264 CO 0.09 0.00 1.63 -2.24 -0.54 0.00 0.00 174.62 173.56 3ic1 h ASP 265 N 1.02 0.69 -0.62 3.99 -0.00 -1.99 -2.50 116.42 117.01 3ic1 h ASP 265 Ca -0.40 -0.26 -0.03 0.00 -0.00 0.00 0.00 57.03 56.34 3ic1 h ASP 265 Cb 1.27 -0.19 -0.03 0.00 -0.00 0.00 0.00 39.33 40.38 3ic1 h ASP 265 CO 0.59 0.94 0.30 -0.33 -0.00 0.00 0.00 179.24 180.74 3ic1 h GLU 266 N 0.57 0.93 -0.29 4.15 3.07 -1.99 -0.13 114.58 120.89 3ic1 h GLU 266 Ca 0.07 -0.13 -0.08 0.00 -0.50 0.00 0.00 59.36 58.72 3ic1 h GLU 266 Cb 0.78 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.51 3ic1 h GLU 266 CO 0.06 0.72 -0.13 0.82 -1.40 0.00 0.00 179.01 179.08 3ic1 h ILE 267 N 0.92 1.29 -0.26 3.13 2.04 -1.94 -1.21 117.51 121.49 3ic1 h ILE 267 Ca 0.22 -1.22 -0.00 0.00 1.00 0.00 0.00 64.86 64.86 3ic1 h ILE 267 Cb 0.11 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 3ic1 h ILE 267 CO -0.03 0.39 0.16 0.40 0.00 0.00 0.00 178.15 179.07 3ic1 h ILE 268 N 0.35 1.09 -0.70 -0.67 2.04 -1.17 -1.00 117.51 117.45 3ic1 h ILE 268 Ca 0.06 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 3ic1 h ILE 268 Cb 0.65 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 3ic1 h ILE 268 CO 0.04 0.09 0.29 0.11 0.00 0.00 0.00 178.15 178.68 3ic1 h LYS 269 N 0.33 1.05 -0.10 2.37 1.57 -0.91 -1.10 116.57 119.77 3ic1 h LYS 269 Ca 0.09 -0.19 -0.18 0.00 -1.87 0.00 0.00 60.65 58.51 3ic1 h LYS 269 Cb 0.01 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 3ic1 h LYS 269 CO -0.02 0.86 -0.69 0.37 -0.57 0.00 0.00 179.45 179.41 3ic1 h GLN 270 N 1.00 0.45 -0.42 3.15 5.75 -1.17 -1.84 115.11 122.03 3ic1 h GLN 270 Ca 0.23 -0.34 -0.14 0.00 -0.15 0.00 0.00 58.65 58.25 3ic1 h GLN 270 Cb 0.20 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.80 3ic1 h GLN 270 CO -0.02 0.97 -0.29 -0.22 -2.65 0.00 0.00 178.83 176.62 3ic1 h LYS 271 N 0.32 0.93 -0.33 1.69 1.63 -0.96 -1.23 116.57 118.61 3ic1 h LYS 271 Ca -0.02 -0.43 -0.04 0.00 -0.85 0.00 0.00 60.65 59.31 3ic1 h LYS 271 Cb 1.25 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.86 3ic1 h LYS 271 CO 0.12 1.09 0.04 0.28 -3.45 0.00 0.00 179.45 177.53 3ic1 h VAL 272 N 0.78 1.24 -0.85 2.00 2.07 -1.18 -1.63 116.25 118.69 3ic1 h VAL 272 Ca 0.09 -0.85 0.10 0.00 0.82 0.00 0.00 66.70 66.86 3ic1 h VAL 272 Cb 0.86 1.15 -0.08 0.00 -1.52 0.00 0.00 31.29 31.71 3ic1 h VAL 272 CO 0.08 0.28 0.48 0.00 0.02 0.00 0.00 177.57 178.43 3ic1 h ALA 273 N 0.89 1.22 -0.52 1.67 0.00 -1.29 -2.10 119.26 119.13 3ic1 h ALA 273 Ca 0.10 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3ic1 h ALA 273 Cb 0.37 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3ic1 h ALA 273 CO 0.01 0.09 0.28 1.49 0.00 0.00 0.00 179.25 181.12 3ic1 h GLU 274 N 0.79 0.72 -0.51 0.00 4.81 -0.85 -1.55 114.58 118.00 3ic1 h GLU 274 Ca 0.42 -0.09 -0.09 0.00 -0.13 0.00 0.00 59.36 59.47 3ic1 h GLU 274 Cb 0.41 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 3ic1 h GLU 274 CO -0.26 0.57 -0.03 0.52 -0.73 0.00 0.00 179.01 179.08 3ic1 h MET 275 N 0.69 0.88 -0.45 1.92 2.86 -0.86 -0.20 114.93 119.77 3ic1 h MET 275 Ca 0.18 -0.27 -0.06 0.00 -2.06 0.00 0.00 59.70 57.50 3ic1 h MET 275 Cb 0.06 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 3ic1 h MET 275 CO -0.03 0.90 0.05 -0.07 1.06 0.00 0.00 176.91 178.82 3ic1 h LEU 276 N 0.81 0.74 -0.57 1.22 3.38 -0.99 -2.09 115.31 117.81 3ic1 h LEU 276 Ca 0.15 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 3ic1 h LEU 276 Cb 0.52 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3ic1 h LEU 276 CO 0.03 0.83 0.15 -0.08 0.09 0.00 0.00 178.44 179.46 3ic1 h GLU 277 N 0.63 0.90 0.00 1.13 4.22 -1.12 -1.92 114.58 118.42 3ic1 h GLU 277 Ca 0.14 -0.21 -0.02 0.00 0.08 0.00 0.00 59.36 59.34 3ic1 h GLU 277 Cb 0.42 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 3ic1 h GLU 277 CO 0.01 0.83 -0.12 0.87 -2.18 0.00 0.00 179.01 178.43 3ic1 h LYS 278 N 0.81 0.00 -0.54 1.92 1.57 -0.86 0.11 116.57 119.57 3ic1 h LYS 278 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3ic1 h LYS 278 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3ic1 h LYS 278 CO -0.00 0.12 0.00 0.72 -0.57 0.00 0.00 179.45 179.71 3ic1 n HIS 279 N -4.35 0.72 -3.77 -1.35 8.25 -0.80 -4.97 115.22 108.95 3ic1 n HIS 279 Ca -0.03 -0.36 -0.26 0.00 -0.26 0.00 0.00 57.72 56.81 3ic1 n HIS 279 Cb 0.19 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.34 3ic1 n HIS 279 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3ic1 n ASN 280 N 1.21 -4.49 -4.82 0.41 5.15 0.39 -4.94 115.26 108.17 3ic1 n ASN 280 Ca 0.20 -0.72 -0.38 0.00 -0.60 0.00 0.00 54.58 53.08 3ic1 n ASN 280 Cb 0.50 -4.28 -0.06 0.00 -0.53 0.00 0.00 39.78 35.41 3ic1 n ASN 280 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3ic1 s LEU 281 N -7.15 4.50 -0.20 1.20 1.43 -0.79 -5.04 118.68 112.64 3ic1 s LEU 281 Ca 0.50 1.13 -0.10 0.00 -1.03 0.00 0.00 54.13 54.63 3ic1 s LEU 281 Cb -0.24 -2.77 -0.05 0.00 0.03 0.00 0.00 46.19 43.16 3ic1 s LEU 281 CO 0.80 0.29 0.15 -1.59 0.23 0.00 0.00 176.35 176.23 3ic1 s LYS 282 N -1.06 4.19 0.20 1.70 -2.85 -1.26 -4.75 119.74 115.91 3ic1 s LYS 282 Ca 0.27 -0.19 -0.19 0.00 -1.00 0.00 0.00 55.97 54.86 3ic1 s LYS 282 Cb -0.18 -3.43 0.04 0.00 -2.06 0.00 0.00 37.83 32.19 3ic1 s LYS 282 CO 0.17 0.28 0.56 1.52 0.10 0.00 0.00 175.35 177.98 3ic1 s TYR 283 N 0.42 -0.22 0.04 1.78 -0.85 -1.26 -2.91 117.35 114.35 3ic1 s TYR 283 Ca 0.09 -0.12 0.05 0.00 -0.52 0.00 0.00 57.07 56.57 3ic1 s TYR 283 Cb -0.11 0.47 -0.02 0.00 0.38 0.00 0.00 41.96 42.67 3ic1 s TYR 283 CO -0.01 -0.94 -0.13 1.03 -1.52 0.00 0.00 175.55 173.98 3ic1 s ARG 284 N -3.85 0.87 -0.01 -3.49 0.52 -0.40 -4.99 118.95 107.60 3ic1 s ARG 284 Ca 0.08 -0.75 0.01 0.00 -0.52 0.00 0.00 55.73 54.54 3ic1 s ARG 284 Cb -0.02 -0.86 0.01 0.00 0.52 0.00 0.00 34.95 34.60 3ic1 s ARG 284 CO -0.04 0.21 -0.01 -1.50 0.02 0.00 0.00 175.30 173.98 3ic1 s ILE 285 N -0.90 0.15 -0.09 1.52 2.07 -1.26 -0.61 121.20 122.08 3ic1 s ILE 285 Ca 0.00 -0.02 0.03 0.00 -1.41 0.00 0.00 60.65 59.26 3ic1 s ILE 285 Cb -0.08 -0.17 0.01 0.00 0.13 0.00 0.00 42.46 42.35 3ic1 s ILE 285 CO 0.01 0.07 -0.20 -1.61 -1.91 0.00 0.00 174.94 171.31 3ic1 s GLU 286 N 0.30 2.56 -0.11 3.50 0.41 -0.14 -4.96 118.70 120.27 3ic1 s GLU 286 Ca -0.03 -0.71 -0.05 0.00 -0.41 0.00 0.00 54.97 53.78 3ic1 s GLU 286 Cb -0.05 -1.98 -0.04 0.00 -1.78 0.00 0.00 34.13 30.28 3ic1 s GLU 286 CO -0.01 0.11 0.07 -1.58 -0.49 0.00 0.00 175.26 173.36 3ic1 s TRP 287 N 0.49 3.35 -0.26 1.61 0.52 -1.26 -0.21 118.94 123.18 3ic1 s TRP 287 Ca -0.17 0.32 0.01 0.00 0.02 0.00 0.00 56.10 56.28 3ic1 s TRP 287 Cb -0.17 -1.89 0.07 0.00 -1.15 0.00 0.00 33.47 30.33 3ic1 s TRP 287 CO 0.07 0.54 -0.02 1.21 0.02 0.00 0.00 176.95 178.77 3ic1 s ASN 288 N -0.79 3.95 -0.29 2.95 2.47 -0.20 -4.99 114.94 118.03 3ic1 s ASN 288 Ca 0.13 -1.34 -0.21 0.00 0.42 0.00 0.00 52.86 51.85 3ic1 s ASN 288 Cb -0.12 -1.17 -0.01 0.00 -1.45 0.00 0.00 41.25 38.50 3ic1 s ASN 288 CO 0.03 -0.28 0.68 -0.22 -3.72 0.00 0.00 177.10 173.59 3ic1 s LEU 289 N 1.38 4.11 -0.06 3.21 2.96 -1.26 -0.75 118.68 128.27 3ic1 s LEU 289 Ca -0.02 0.57 0.00 0.00 -0.22 0.00 0.00 54.13 54.46 3ic1 s LEU 289 Cb -0.19 -2.91 -0.26 0.00 0.50 0.00 0.00 46.19 43.34 3ic1 s LEU 289 CO -0.09 -0.50 0.60 0.28 -1.32 0.00 0.00 176.35 175.33 3ic1 h SER 290 N 8.09 0.28 -3.15 3.68 0.02 -1.07 -3.49 113.55 117.91 3ic1 h SER 290 Ca -0.26 -0.54 0.13 0.00 -0.84 0.00 0.00 61.79 60.28 3ic1 h SER 290 Cb 1.11 -0.09 -0.27 0.00 0.14 0.00 0.00 62.40 63.29 3ic1 h SER 290 CO 0.82 1.48 0.67 -0.83 -1.14 0.00 0.00 176.83 177.83 3ic1 s GLY 291 N -5.25 -0.01 0.34 -3.77 0.00 -1.07 -4.93 107.32 92.63 3ic1 s GLY 291 Ca -0.13 2.76 -0.08 0.00 0.00 0.00 0.00 44.72 47.27 3ic1 s GLY 291 CO 0.81 1.53 0.65 0.54 0.00 0.00 0.00 173.10 176.63 3ic1 s LYS 292 N -0.39 3.70 0.53 2.90 1.02 -1.26 0.21 119.74 126.46 3ic1 s LYS 292 Ca 0.04 0.22 -0.20 0.00 0.02 0.00 0.00 55.97 56.05 3ic1 s LYS 292 Cb -0.03 -2.54 -0.06 0.00 -0.52 0.00 0.00 37.83 34.68 3ic1 s LYS 292 CO -0.07 0.11 1.14 -1.25 -0.92 0.00 0.00 175.35 174.36 3ic1 s PRO 293 N -3.65 3.40 0.08 -1.68 0.04 -1.26 -4.42 135.00 127.51 3ic1 s PRO 293 Ca 0.47 1.65 0.02 0.00 0.04 0.00 0.00 61.00 63.18 3ic1 s PRO 293 Cb -0.11 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 3ic1 s PRO 293 CO 0.30 -0.82 -0.07 -0.59 0.04 0.00 0.00 177.00 175.86 3ic1 s PHE 294 N -1.72 0.79 -0.23 0.56 -0.12 -0.44 -4.86 117.98 111.97 3ic1 s PHE 294 Ca 0.72 -0.78 -0.08 0.00 -0.05 0.00 0.00 56.93 56.74 3ic1 s PHE 294 Cb -0.25 -0.47 0.10 0.00 -0.63 0.00 0.00 43.02 41.77 3ic1 s PHE 294 CO 0.29 -0.14 0.49 -1.17 -0.05 0.00 0.00 175.22 174.63 3ic1 s LEU 295 N -2.53 -0.76 -0.46 -1.99 2.96 -1.26 -1.02 118.68 113.61 3ic1 s LEU 295 Ca 0.04 1.15 -0.17 0.00 -0.22 0.00 0.00 54.13 54.93 3ic1 s LEU 295 Cb 0.00 1.62 0.05 0.00 0.50 0.00 0.00 46.19 48.37 3ic1 s LEU 295 CO -0.03 -0.23 0.48 -0.89 -1.32 0.00 0.00 176.35 174.36 3ic1 s THR 296 N 2.62 5.07 0.65 3.68 2.01 0.22 -4.94 115.64 124.96 3ic1 s THR 296 Ca -0.03 -0.64 -0.15 0.00 0.31 0.00 0.00 61.69 61.18 3ic1 s THR 296 Cb -0.12 -4.15 -0.01 0.00 0.01 0.00 0.00 72.50 68.24 3ic1 s THR 296 CO -0.15 -0.59 1.09 -0.54 -0.69 0.00 0.00 174.62 173.74 3ic1 s LYS 297 N 2.11 2.93 0.28 4.92 1.02 -1.26 -4.89 119.74 124.85 3ic1 s LYS 297 Ca 0.10 1.28 -0.27 0.00 0.02 0.00 0.00 55.97 57.10 3ic1 s LYS 297 Cb -0.20 -1.98 -0.15 0.00 -0.52 0.00 0.00 37.83 34.98 3ic1 s LYS 297 CO 0.11 -1.13 0.77 -2.30 -0.92 0.00 0.00 175.35 171.88 3ic1 n PRO 298 N -2.44 0.77 -3.64 -1.68 -0.02 -1.26 -4.67 135.00 122.06 3ic1 n PRO 298 Ca 0.09 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 3ic1 n PRO 298 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 3ic1 n PRO 298 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ic1 n GLY 299 N 1.57 -0.65 0.26 -1.23 0.00 -1.26 -4.98 105.19 98.90 3ic1 n GLY 299 Ca 0.13 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 45.07 3ic1 n GLY 299 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ic1 h LYS 300 N 0.00 -0.41 0.06 1.61 1.57 -1.99 -0.29 116.57 117.13 3ic1 h LYS 300 Ca 0.00 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3ic1 h LYS 300 Cb 0.00 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3ic1 h LYS 300 CO 0.00 -0.27 -0.03 1.25 -0.57 0.00 0.00 179.45 179.83 3ic1 h LEU 301 N -0.42 -0.07 -0.52 2.94 5.85 -1.95 -0.88 115.31 120.26 3ic1 h LEU 301 Ca 0.03 -0.06 -0.15 0.00 0.84 0.00 0.00 57.88 58.53 3ic1 h LEU 301 Cb 0.44 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 3ic1 h LEU 301 CO -0.13 0.02 -0.43 0.25 -0.34 0.00 0.00 178.44 177.81 3ic1 h LEU 302 N -0.15 0.79 -1.19 2.25 5.85 -1.81 -1.99 115.31 119.06 3ic1 h LEU 302 Ca -0.01 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.32 3ic1 h LEU 302 Cb 0.13 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 3ic1 h LEU 302 CO 0.01 1.11 0.25 0.44 -0.34 0.00 0.00 178.44 179.91 3ic1 h ASP 303 N 0.59 0.74 -0.60 1.25 5.19 -1.00 -0.82 116.42 121.78 3ic1 h ASP 303 Ca 0.04 -0.08 -0.06 0.00 -0.62 0.00 0.00 57.03 56.31 3ic1 h ASP 303 Cb 0.98 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 40.27 3ic1 h ASP 303 CO 0.09 0.65 0.15 0.77 -3.12 0.00 0.00 179.24 177.78 3ic1 h SER 304 N 0.82 0.91 0.11 6.45 4.64 -0.40 0.31 113.55 126.37 3ic1 h SER 304 Ca 0.20 -0.23 -0.22 0.00 -0.47 0.00 0.00 61.79 61.07 3ic1 h SER 304 Cb 0.12 -0.24 0.02 0.00 -0.31 0.00 0.00 62.40 62.00 3ic1 h SER 304 CO -0.02 0.90 -0.93 -0.29 -0.87 0.00 0.00 176.83 175.61 3ic1 h ILE 305 N 0.87 1.40 -0.20 0.95 6.09 -1.45 -1.74 117.51 123.44 3ic1 h ILE 305 Ca 0.19 -2.40 0.04 0.00 -1.37 0.00 0.00 64.86 61.31 3ic1 h ILE 305 Cb 0.34 2.88 -0.03 0.00 0.47 0.00 0.00 36.82 40.48 3ic1 h ILE 305 CO 0.00 0.70 -0.02 0.74 -3.07 0.00 0.00 178.15 176.50 3ic1 h THR 306 N -0.07 0.83 -0.23 2.19 2.02 -1.07 0.11 112.91 116.69 3ic1 h THR 306 Ca -0.15 -0.01 -0.11 0.00 0.77 0.00 0.00 66.41 66.91 3ic1 h THR 306 Cb 1.68 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.87 3ic1 h THR 306 CO 0.18 0.01 -0.32 0.77 0.37 0.00 0.00 175.52 176.53 3ic1 h SER 307 N 0.03 0.49 -0.76 4.18 4.64 -0.47 -1.84 113.55 119.82 3ic1 h SER 307 Ca 0.09 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3ic1 h SER 307 Cb 0.13 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 3ic1 h SER 307 CO -0.18 0.78 0.48 0.00 -0.87 0.00 0.00 176.83 177.05 3ic1 h ALA 308 N 1.25 0.97 -0.23 5.18 0.00 -0.78 -0.60 119.26 125.04 3ic1 h ALA 308 Ca 0.05 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3ic1 h ALA 308 Cb 0.76 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3ic1 h ALA 308 CO 0.06 0.42 -0.08 0.82 0.00 0.00 0.00 179.25 180.46 3ic1 h ILE 309 N 1.04 1.29 -0.34 0.00 2.04 -0.72 -2.62 117.51 118.21 3ic1 h ILE 309 Ca 0.28 -1.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 3ic1 h ILE 309 Cb -0.07 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 3ic1 h ILE 309 CO -0.06 0.35 0.17 -0.33 0.00 0.00 0.00 178.15 178.28 3ic1 h GLU 310 N 0.19 0.48 -0.00 2.37 5.08 -1.02 -1.41 114.58 120.28 3ic1 h GLU 310 Ca 0.06 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3ic1 h GLU 310 Cb 0.56 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3ic1 h GLU 310 CO 0.03 0.43 -0.01 -0.85 -1.00 0.00 0.00 179.01 177.61 3ic1 n GLU 311 N -4.76 0.49 -0.13 2.33 0.28 -0.26 -0.80 120.64 117.79 3ic1 n GLU 311 Ca -0.01 -0.02 -0.26 0.00 -0.16 0.00 0.00 57.16 56.71 3ic1 n GLU 311 Cb 0.10 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.36 3ic1 n GLU 311 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 3ic1 n THR 312 N -1.24 1.49 -0.31 3.84 -1.04 -0.95 -4.75 114.28 111.32 3ic1 n THR 312 Ca 0.15 -0.43 0.01 0.00 -2.04 0.00 0.00 64.05 61.73 3ic1 n THR 312 Cb 0.23 -1.74 0.01 0.00 -1.82 0.00 0.00 70.33 67.01 3ic1 n THR 312 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 3ic1 n ILE 313 N -3.95 0.82 -1.68 12.58 -5.35 -0.57 -5.02 119.36 116.19 3ic1 n ILE 313 Ca -0.51 -0.84 -0.16 0.00 -0.27 0.00 0.00 62.75 60.96 3ic1 n ILE 313 Cb 0.91 0.56 -0.05 0.00 -1.74 0.00 0.00 39.64 39.32 3ic1 n ILE 313 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ic1 n GLY 314 N -0.44 1.13 3.41 3.28 0.00 0.02 -5.00 105.19 107.59 3ic1 n GLY 314 Ca 0.01 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 3ic1 n GLY 314 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3ic1 s ILE 315 N -2.65 2.47 -0.47 -0.61 2.07 -1.26 -4.99 121.20 115.76 3ic1 s ILE 315 Ca 0.00 -1.40 -0.18 0.00 -1.41 0.00 0.00 60.65 57.66 3ic1 s ILE 315 Cb 0.00 -2.03 0.05 0.00 0.13 0.00 0.00 42.46 40.61 3ic1 s ILE 315 CO 0.00 0.28 0.52 -0.89 -1.91 0.00 0.00 174.94 172.93 3ic1 s THR 316 N -0.93 5.02 0.46 4.00 2.01 -1.26 -3.28 115.64 121.66 3ic1 s THR 316 Ca 0.14 -0.60 -0.23 0.00 0.31 0.00 0.00 61.69 61.31 3ic1 s THR 316 Cb -0.10 -4.19 -0.07 0.00 0.01 0.00 0.00 72.50 68.15 3ic1 s THR 316 CO 0.05 -0.65 1.18 -2.16 -0.69 0.00 0.00 174.62 172.36 3ic1 s PRO 317 N 2.25 3.73 -0.11 4.92 0.04 -1.23 -4.89 135.00 139.71 3ic1 s PRO 317 Ca 0.12 1.83 -0.23 0.00 0.04 0.00 0.00 61.00 62.75 3ic1 s PRO 317 Cb -0.20 -2.42 -0.03 0.00 0.04 0.00 0.00 34.50 31.89 3ic1 s PRO 317 CO 0.11 -0.59 0.70 0.21 0.04 0.00 0.00 177.00 177.48 3ic1 s LYS 318 N -2.68 4.37 0.08 4.56 2.20 -0.22 -4.87 119.74 123.18 3ic1 s LYS 318 Ca 0.64 0.84 -0.30 0.00 -0.36 0.00 0.00 55.97 56.79 3ic1 s LYS 318 Cb -0.30 -3.49 -0.05 0.00 -1.51 0.00 0.00 37.83 32.48 3ic1 s LYS 318 CO 0.36 -0.06 1.06 0.00 -0.36 0.00 0.00 175.35 176.35 3ic1 s ALA 319 N 1.24 3.28 0.01 3.13 0.00 -1.26 -1.19 121.76 126.96 3ic1 s ALA 319 Ca 0.36 0.68 -0.01 0.00 0.00 0.00 0.00 51.96 52.99 3ic1 s ALA 319 Cb -0.17 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 19.58 3ic1 s ALA 319 CO 0.15 -0.23 0.01 -1.21 0.00 0.00 0.00 175.76 174.48 3ic1 s GLU 320 N 0.53 0.22 0.04 0.00 2.02 0.43 -4.92 118.70 117.02 3ic1 s GLU 320 Ca 0.52 -0.35 -0.00 0.00 0.02 0.00 0.00 54.97 55.16 3ic1 s GLU 320 Cb -0.25 0.08 -0.04 0.00 0.10 0.00 0.00 34.13 34.02 3ic1 s GLU 320 CO 0.30 -0.04 0.16 0.95 0.02 0.00 0.00 175.26 176.65 3ic1 s THR 321 N -0.91 5.13 0.00 3.63 -4.23 -1.26 -1.30 115.64 116.70 3ic1 s THR 321 Ca -0.10 -0.42 0.00 0.00 -1.18 0.00 0.00 61.69 59.99 3ic1 s THR 321 Cb -0.06 -3.45 0.00 0.00 1.34 0.00 0.00 72.50 70.33 3ic1 s THR 321 CO -0.00 0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.89 3ic1 n GLY 322 N 0.59 0.21 2.40 3.99 0.00 -0.99 -4.96 105.19 106.44 3ic1 n GLY 322 Ca -0.08 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.22 3ic1 n GLY 322 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ic1 n GLY 323 N 0.00 0.53 5.60 -0.02 0.00 -1.26 -4.85 105.19 105.18 3ic1 n GLY 323 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3ic1 n GLY 323 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ic1 n GLY 324 N -2.29 -1.63 3.69 -0.02 0.00 -1.26 -4.87 105.19 98.80 3ic1 n GLY 324 Ca 0.00 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 3ic1 n GLY 324 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ic1 s THR 325 N -0.37 3.74 0.25 2.61 -4.23 -1.26 -5.03 115.64 111.35 3ic1 s THR 325 Ca 0.00 1.11 0.01 0.00 -1.18 0.00 0.00 61.69 61.63 3ic1 s THR 325 Cb 0.00 -3.71 -0.01 0.00 1.34 0.00 0.00 72.50 70.12 3ic1 s THR 325 CO 0.00 -0.01 0.05 -1.54 -0.54 0.00 0.00 174.62 172.58 3ic1 n SER 326 N 5.46 1.71 -0.42 3.99 3.41 -1.26 -5.04 113.62 121.47 3ic1 n SER 326 Ca 0.13 -2.23 0.11 0.00 -0.26 0.00 0.00 58.87 56.62 3ic1 n SER 326 Cb 0.44 0.44 0.44 0.00 -0.26 0.00 0.00 64.21 65.27 3ic1 n SER 326 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3ic1 n ASP 327 N -1.55 1.27 -0.23 4.04 8.00 -1.26 -4.33 116.55 122.49 3ic1 n ASP 327 Ca -0.06 -1.61 0.11 0.00 0.71 0.00 0.00 54.79 53.93 3ic1 n ASP 327 Cb 0.35 -0.07 0.39 0.00 -0.02 0.00 0.00 41.12 41.77 3ic1 n ASP 327 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3ic1 h GLY 328 N 5.08 1.05 2.00 0.44 0.00 -1.98 -1.30 103.07 108.35 3ic1 h GLY 328 Ca 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 3ic1 h GLY 328 CO 0.00 0.13 -0.16 0.07 0.00 0.00 0.00 176.54 176.58 3ic1 h ARG 329 N 0.67 0.00 0.16 4.80 0.11 -1.91 -1.34 114.38 116.87 3ic1 h ARG 329 Ca 0.39 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 60.23 3ic1 h ARG 329 Cb 0.59 0.00 0.03 0.00 1.11 0.00 0.00 29.97 31.70 3ic1 h ARG 329 CO -0.16 0.16 -1.04 0.74 0.10 0.00 0.00 179.97 179.78 3ic1 h PHE 330 N 0.00 0.73 -0.62 4.08 0.04 -1.56 -3.32 116.94 116.29 3ic1 h PHE 330 Ca -0.00 -0.51 -0.08 0.00 2.80 0.00 0.00 57.97 60.17 3ic1 h PHE 330 Cb 0.51 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.59 3ic1 h PHE 330 CO 0.00 1.39 0.06 0.82 -0.60 0.00 0.00 178.31 179.98 3ic1 h ILE 331 N -0.13 1.26 -0.06 -0.55 2.04 -1.18 -2.21 117.51 116.68 3ic1 h ILE 331 Ca -0.18 -1.07 0.02 0.00 1.00 0.00 0.00 64.86 64.63 3ic1 h ILE 331 Cb 1.80 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 38.61 3ic1 h ILE 331 CO 0.20 0.40 0.10 0.00 0.00 0.00 0.00 178.15 178.84 3ic1 h ALA 332 N 1.01 1.44 0.00 1.87 0.00 -1.38 -2.25 119.26 119.95 3ic1 h ALA 332 Ca 0.18 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3ic1 h ALA 332 Cb 0.48 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3ic1 h ALA 332 CO 0.02 -0.13 -0.00 -0.07 0.00 0.00 0.00 179.25 179.07 3ic1 h LEU 333 N 0.00 0.00 -0.70 0.00 3.38 -1.49 -1.79 115.31 114.71 3ic1 h LEU 333 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3ic1 h LEU 333 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3ic1 h LEU 333 CO -0.00 0.00 0.00 1.15 0.09 0.00 0.00 178.44 179.68 3ic1 n MET 334 N -4.30 1.45 -0.56 1.13 0.00 -0.85 -4.88 117.12 109.12 3ic1 n MET 334 Ca -0.03 -0.69 0.00 0.00 0.00 0.00 0.00 57.70 56.98 3ic1 n MET 334 Cb 0.09 -1.25 0.00 0.00 0.00 0.00 0.00 33.22 32.06 3ic1 n MET 334 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3ic1 n GLY 335 N 0.90 0.76 3.77 3.17 0.00 -0.67 -4.78 105.19 108.35 3ic1 n GLY 335 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3ic1 n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ic1 s ALA 336 N -2.83 3.47 -0.04 4.61 0.00 -1.22 -4.91 121.76 120.84 3ic1 s ALA 336 Ca 0.00 1.15 -0.30 0.00 0.00 0.00 0.00 51.96 52.81 3ic1 s ALA 336 Cb 0.00 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 3ic1 s ALA 336 CO 0.00 -0.49 0.99 -1.21 0.00 0.00 0.00 175.76 175.04 3ic1 s GLU 337 N -1.65 4.50 -0.13 0.00 2.02 -0.59 -4.38 118.70 118.48 3ic1 s GLU 337 Ca 0.48 1.40 0.02 0.00 0.02 0.00 0.00 54.97 56.88 3ic1 s GLU 337 Cb -0.37 -3.49 -0.00 0.00 0.10 0.00 0.00 34.13 30.36 3ic1 s GLU 337 CO 0.49 -0.15 -0.18 0.08 0.02 0.00 0.00 175.26 175.51 3ic1 s VAL 338 N 1.40 2.48 0.25 2.63 1.01 -1.26 -0.15 120.40 126.76 3ic1 s VAL 338 Ca 0.50 -0.85 0.09 0.00 0.00 0.00 0.00 61.98 61.73 3ic1 s VAL 338 Cb -0.20 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 3ic1 s VAL 338 CO 0.24 0.53 -0.15 0.68 0.00 0.00 0.00 175.10 176.40 3ic1 s VAL 339 N 0.58 2.03 -0.00 2.92 -7.23 -0.24 -4.41 120.40 114.05 3ic1 s VAL 339 Ca -0.11 -2.28 0.01 0.00 -1.81 0.00 0.00 61.98 57.80 3ic1 s VAL 339 Cb -0.16 -2.21 -0.00 0.00 0.56 0.00 0.00 36.38 34.57 3ic1 s VAL 339 CO 0.03 -0.47 -0.04 -1.61 -0.31 0.00 0.00 175.10 172.70 3ic1 s GLU 340 N -3.60 0.37 -0.26 4.82 2.02 -0.04 -1.51 118.70 120.50 3ic1 s GLU 340 Ca 0.26 -0.15 -0.22 0.00 0.02 0.00 0.00 54.97 54.88 3ic1 s GLU 340 Cb -0.02 -0.36 0.07 0.00 0.10 0.00 0.00 34.13 33.92 3ic1 s GLU 340 CO 0.11 0.09 0.69 0.12 0.02 0.00 0.00 175.26 176.28 3ic1 s PHE 341 N -0.06 -0.81 0.00 1.61 5.36 -0.92 -1.50 117.98 121.66 3ic1 s PHE 341 Ca 0.01 1.90 0.00 0.00 -0.96 0.00 0.00 56.93 57.88 3ic1 s PHE 341 Cb -0.02 0.33 0.00 0.00 -0.34 0.00 0.00 43.02 42.98 3ic1 s PHE 341 CO -0.00 -0.39 0.00 0.41 -1.46 0.00 0.00 175.22 173.77 3ic1 n GLY 342 N 3.01 1.27 3.11 13.12 0.00 -0.73 -4.10 105.19 120.86 3ic1 n GLY 342 Ca -0.15 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.73 3ic1 n GLY 342 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ic1 n PRO 343 N 0.00 -4.11 -1.75 1.61 -0.02 -1.26 -2.67 135.00 126.79 3ic1 n PRO 343 Ca 0.00 -1.48 -0.42 0.00 -2.02 0.00 0.00 63.50 59.59 3ic1 n PRO 343 Cb 0.00 -1.70 -0.01 0.00 -0.02 0.00 0.00 33.50 31.77 3ic1 n PRO 343 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3ic1 n LEU 344 N 0.00 4.48 -1.44 2.45 4.77 -1.26 -1.94 117.00 124.07 3ic1 n LEU 344 Ca 0.13 1.18 0.09 0.00 -0.03 0.00 0.00 56.01 57.39 3ic1 n LEU 344 Cb 0.56 -1.60 0.33 0.00 -2.33 0.00 0.00 43.42 40.38 3ic1 n LEU 344 CO 0.38 0.13 0.79 -0.46 -1.33 0.00 0.00 177.39 176.90 3ic1 n ASN 345 N 1.50 4.46 0.17 -1.43 0.23 -0.75 -4.65 115.26 114.79 3ic1 n ASN 345 Ca 0.06 -2.38 0.04 0.00 -0.53 0.00 0.00 54.58 51.76 3ic1 n ASN 345 Cb 0.37 -0.54 0.27 0.00 -2.08 0.00 0.00 39.78 37.81 3ic1 n ASN 345 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3ic1 h SER 346 N 3.81 0.00 -0.22 0.53 4.64 -1.87 -3.03 113.55 117.41 3ic1 h SER 346 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ic1 h SER 346 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3ic1 h SER 346 CO 0.18 0.45 0.00 0.35 -0.87 0.00 0.00 176.83 176.94 3ic1 n THR 347 N -3.55 0.31 -1.94 2.95 -2.24 -1.26 -4.97 114.28 103.58 3ic1 n THR 347 Ca -0.00 -0.65 -0.40 0.00 -2.27 0.00 0.00 64.05 60.72 3ic1 n THR 347 Cb 0.56 1.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.94 3ic1 n THR 347 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3ic1 s ILE 348 N -1.52 2.35 -0.96 2.28 -4.36 -1.15 -2.32 121.20 115.52 3ic1 s ILE 348 Ca 0.31 0.33 0.00 0.00 -0.26 0.00 0.00 60.65 61.02 3ic1 s ILE 348 Cb 0.19 -3.20 0.00 0.00 1.25 0.00 0.00 42.46 40.70 3ic1 s ILE 348 CO 0.27 0.06 0.00 1.41 0.24 0.00 0.00 174.94 176.92 3ic1 n HIS 349 N 0.20 0.00 -4.33 1.37 8.25 -1.26 -4.97 115.22 114.47 3ic1 n HIS 349 Ca 0.03 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.24 3ic1 n HIS 349 Cb 0.42 -2.39 -0.09 0.00 1.12 0.00 0.00 29.99 29.06 3ic1 n HIS 349 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3ic1 s LYS 350 N -2.62 2.09 0.43 -0.41 1.02 -0.98 -5.09 119.74 114.18 3ic1 s LYS 350 Ca 0.00 -1.79 -0.26 0.00 0.02 0.00 0.00 55.97 53.94 3ic1 s LYS 350 Cb 0.00 -1.91 -0.08 0.00 -0.52 0.00 0.00 37.83 35.31 3ic1 s LYS 350 CO 0.00 0.09 1.36 0.08 -0.92 0.00 0.00 175.35 175.96 3ic1 s VAL 351 N -2.54 2.36 -1.34 3.17 1.01 -1.26 -2.91 120.40 118.88 3ic1 s VAL 351 Ca 0.36 0.32 -0.06 0.00 0.00 0.00 0.00 61.98 62.60 3ic1 s VAL 351 Cb 0.01 -3.19 0.01 0.00 0.00 0.00 0.00 36.38 33.21 3ic1 s VAL 351 CO 0.20 0.04 0.73 0.59 0.00 0.00 0.00 175.10 176.66 3ic1 n ASN 352 N -0.05 -5.79 -4.72 3.32 3.02 -1.26 -4.96 115.26 104.82 3ic1 n ASN 352 Ca 0.04 -0.34 -0.42 0.00 -0.03 0.00 0.00 54.58 53.83 3ic1 n ASN 352 Cb 0.43 -4.55 -0.01 0.00 -0.61 0.00 0.00 39.78 35.04 3ic1 n ASN 352 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3ic1 n GLU 353 N -4.00 2.35 -3.73 3.52 2.13 -1.14 -4.91 120.64 114.86 3ic1 n GLU 353 Ca -0.06 0.83 -0.07 0.00 0.66 0.00 0.00 57.16 58.51 3ic1 n GLU 353 Cb 0.59 -2.50 -0.02 0.00 0.27 0.00 0.00 31.44 29.78 3ic1 n GLU 353 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3ic1 s VAL 355 N -3.71 0.03 0.12 0.00 0.11 -0.14 -4.49 120.40 112.32 3ic1 s VAL 355 Ca 0.09 -0.22 -0.31 0.00 -2.93 0.00 0.00 61.98 58.61 3ic1 s VAL 355 Cb -0.04 -0.63 -0.09 0.00 -1.53 0.00 0.00 36.38 34.09 3ic1 s VAL 355 CO 0.01 -0.12 1.59 -0.55 -3.33 0.00 0.00 175.10 172.70 3ic1 s SER 356 N -0.62 6.61 0.25 3.54 0.15 -1.26 -0.75 113.70 121.61 3ic1 s SER 356 Ca -0.07 2.54 -0.04 0.00 0.70 0.00 0.00 55.95 59.07 3ic1 s SER 356 Cb -0.04 -2.58 0.36 0.00 -1.71 0.00 0.00 66.02 62.06 3ic1 s SER 356 CO 0.03 -0.84 1.85 0.58 1.20 0.00 0.00 173.24 176.06 3ic1 h VAL 357 N 4.38 1.03 -0.87 4.45 2.07 -1.16 -1.44 116.25 124.71 3ic1 h VAL 357 Ca -0.43 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 3ic1 h VAL 357 Cb 1.20 -0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 3ic1 h VAL 357 CO 0.92 0.18 0.49 -0.08 0.02 0.00 0.00 177.57 179.10 3ic1 h GLU 358 N 1.00 1.20 -0.35 1.57 4.81 -1.91 -2.25 114.58 118.65 3ic1 h GLU 358 Ca 0.39 -0.13 -0.14 0.00 -0.13 0.00 0.00 59.36 59.36 3ic1 h GLU 358 Cb 0.20 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3ic1 h GLU 358 CO -0.18 0.86 -0.33 -0.44 -0.73 0.00 0.00 179.01 178.19 3ic1 h ASP 359 N 1.21 0.89 -0.65 1.04 3.32 -1.75 -1.80 116.42 118.69 3ic1 h ASP 359 Ca 0.31 -0.46 0.08 0.00 0.02 0.00 0.00 57.03 56.98 3ic1 h ASP 359 Cb 0.00 -0.25 -0.07 0.00 0.22 0.00 0.00 39.33 39.23 3ic1 h ASP 359 CO -0.05 1.17 0.30 -0.07 -1.72 0.00 0.00 179.24 178.87 3ic1 h LEU 360 N 0.62 0.39 -0.20 1.55 3.38 -1.11 0.22 115.31 120.15 3ic1 h LEU 360 Ca 0.06 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.12 3ic1 h LEU 360 Cb 0.91 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 3ic1 h LEU 360 CO 0.08 0.23 0.02 1.23 0.09 0.00 0.00 178.44 180.09 3ic1 h GLY 361 N 0.54 0.21 1.05 0.83 0.00 -1.10 -1.53 103.07 103.06 3ic1 h GLY 361 Ca 0.31 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.64 3ic1 h GLY 361 CO -0.26 -0.03 0.50 0.50 0.00 0.00 0.00 176.54 177.26 3ic1 h LYS 362 N 0.09 1.24 -0.01 4.80 1.57 -0.75 -1.73 116.57 121.78 3ic1 h LYS 362 Ca 0.09 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3ic1 h LYS 362 Cb 0.11 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 3ic1 h LYS 362 CO -0.15 0.90 -0.00 0.00 -0.57 0.00 0.00 179.45 179.63 3ic1 h GLY 364 N -0.00 0.74 1.10 0.00 0.00 -0.96 0.18 103.07 104.11 3ic1 h GLY 364 Ca 0.00 0.18 -0.11 0.00 0.00 0.00 0.00 47.33 47.40 3ic1 h GLY 364 CO -0.01 -0.31 -0.08 0.83 0.00 0.00 0.00 176.54 176.97 3ic1 h GLU 365 N 0.05 1.06 -0.19 4.80 5.08 -0.50 -1.63 114.58 123.24 3ic1 h GLU 365 Ca 0.41 -0.38 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 3ic1 h GLU 365 Cb 0.69 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 3ic1 h GLU 365 CO -0.74 1.08 0.01 0.82 -1.00 0.00 0.00 179.01 179.17 3ic1 h ILE 366 N 0.94 1.24 -0.76 3.13 2.04 -0.13 -0.56 117.51 123.41 3ic1 h ILE 366 Ca 0.15 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 3ic1 h ILE 366 Cb 0.65 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 38.11 3ic1 h ILE 366 CO 0.04 0.25 0.42 1.88 0.00 0.00 0.00 178.15 180.75 3ic1 h TYR 367 N 0.10 1.04 -0.61 1.37 0.05 -0.62 -0.78 116.97 117.52 3ic1 h TYR 367 Ca 0.06 -0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.77 3ic1 h TYR 367 Cb 0.36 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.75 3ic1 h TYR 367 CO 0.03 0.72 0.19 1.25 -1.05 0.00 0.00 178.16 179.31 3ic1 h HIS 368 N 1.05 0.97 -0.11 4.88 2.76 -1.19 -2.77 115.15 120.74 3ic1 h HIS 368 Ca 0.27 -0.10 -0.09 0.00 -2.20 0.00 0.00 60.37 58.25 3ic1 h HIS 368 Cb 0.02 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 28.69 3ic1 h HIS 368 CO -0.00 0.80 -0.35 -0.22 -1.30 0.00 0.00 177.93 176.86 3ic1 h LYS 369 N 0.86 0.22 -0.96 5.26 1.63 -0.69 -2.21 116.57 120.69 3ic1 h LYS 369 Ca 0.20 -0.09 0.03 0.00 -0.85 0.00 0.00 60.65 59.94 3ic1 h LYS 369 Cb 0.28 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 31.85 3ic1 h LYS 369 CO -0.01 0.55 0.63 1.98 -3.45 0.00 0.00 179.45 179.14 3ic1 h MET 370 N 0.19 1.19 -0.47 1.90 4.05 -0.94 0.16 114.93 121.01 3ic1 h MET 370 Ca 0.02 -0.07 -0.08 0.00 -0.28 0.00 0.00 59.70 59.29 3ic1 h MET 370 Cb 0.71 -0.27 -0.02 0.00 -0.80 0.00 0.00 31.60 31.23 3ic1 h MET 370 CO 0.05 0.79 -0.02 -0.07 0.23 0.00 0.00 176.91 177.89 3ic1 h LEU 371 N 1.23 0.83 -0.52 3.39 3.38 -1.15 0.22 115.31 122.69 3ic1 h LEU 371 Ca 0.37 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3ic1 h LEU 371 Cb -0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3ic1 h LEU 371 CO -0.11 0.95 0.29 0.58 0.09 0.00 0.00 178.44 180.23 3ic1 h VAL 372 N 0.69 1.18 -0.29 1.22 2.07 -0.87 -0.57 116.25 119.69 3ic1 h VAL 372 Ca 0.13 -0.45 -0.11 0.00 0.82 0.00 0.00 66.70 67.09 3ic1 h VAL 372 Cb 0.53 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3ic1 h VAL 372 CO 0.03 0.19 -0.27 0.78 0.02 0.00 0.00 177.57 178.32 3ic1 h ASN 373 N 0.70 0.58 0.70 0.57 2.35 -0.50 0.17 115.58 120.14 3ic1 h ASN 373 Ca 0.18 -0.21 -0.18 0.00 -0.55 0.00 0.00 56.30 55.54 3ic1 h ASN 373 Cb 0.05 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 3ic1 h ASN 373 CO -0.03 0.83 -0.84 -0.07 -1.65 0.00 0.00 177.43 175.67 3ic1 h LEU 374 N 0.50 0.12 -0.41 1.61 3.38 -0.69 -3.39 115.31 116.43 3ic1 h LEU 374 Ca 0.07 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3ic1 h LEU 374 Cb 0.72 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3ic1 h LEU 374 CO 0.06 0.90 -0.03 0.18 0.09 0.00 0.00 178.44 179.64 3ic1 n LEU 375 N -3.62 0.45 -0.07 1.67 4.77 -0.24 -5.09 117.00 114.87 3ic1 n LEU 375 Ca -0.02 -0.70 0.01 0.00 -0.03 0.00 0.00 56.01 55.27 3ic1 n LEU 375 Cb 0.79 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.89 3ic1 n LEU 375 CO 0.46 0.11 0.28 0.47 -1.33 0.00 0.00 177.39 177.38