#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i04 h ASP 3 N 0.00 0.23 -0.89 3.42 3.58 -2.03 -2.50 116.42 118.24 3i04 h ASP 3 Ca 0.00 0.11 0.12 0.00 0.42 0.00 0.00 57.03 57.68 3i04 h ASP 3 Cb 0.00 0.09 -0.08 0.00 1.72 0.00 0.00 39.33 41.06 3i04 h ASP 3 CO 0.00 0.09 0.51 0.15 -2.88 0.00 0.00 179.24 177.12 3i04 h PHE 4 N 0.42 0.92 0.00 0.28 3.57 -2.02 -2.10 116.94 118.00 3i04 h PHE 4 Ca 0.39 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.92 3i04 h PHE 4 Cb 0.58 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.04 3i04 h PHE 4 CO -0.18 0.33 0.04 -0.44 -2.23 0.00 0.00 178.31 175.83 3i04 h ASP 5 N 0.80 0.00 -1.06 0.41 3.45 -1.88 -2.65 116.42 115.49 3i04 h ASP 5 Ca 0.45 0.00 0.31 0.00 0.43 0.00 0.00 57.03 58.22 3i04 h ASP 5 Cb 0.50 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.23 3i04 h ASP 5 CO -0.29 0.00 0.76 0.50 -1.57 0.00 0.00 179.24 178.64 3i04 h LYS 6 N 0.00 0.01 0.00 3.56 3.64 -1.50 0.11 116.57 122.39 3i04 h LYS 6 Ca 0.00 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3i04 h LYS 6 Cb 0.08 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3i04 h LYS 6 CO 0.00 0.00 -0.07 -0.84 -2.27 0.00 0.00 179.45 176.28 3i04 h ILE 7 N 0.01 0.29 0.00 2.00 3.07 -1.71 -2.45 117.51 118.72 3i04 h ILE 7 Ca 0.51 -0.45 0.00 0.00 1.55 0.00 0.00 64.86 66.47 3i04 h ILE 7 Cb 2.02 1.34 0.00 0.00 -0.27 0.00 0.00 36.82 39.91 3i04 h ILE 7 CO -0.01 0.07 -0.60 0.49 -1.05 0.00 0.00 178.15 177.05 3i04 n PHE 8 N -3.36 0.07 -1.67 0.16 3.01 0.02 -4.92 117.46 110.77 3i04 n PHE 8 Ca -0.01 0.02 -0.46 0.00 1.01 0.00 0.00 57.45 58.01 3i04 n PHE 8 Cb 0.23 -0.27 -0.04 0.00 -0.01 0.00 0.00 39.48 39.39 3i04 n PHE 8 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3i04 n GLU 9 N -1.58 2.18 -1.49 -1.08 1.02 -0.92 -2.84 120.64 115.91 3i04 n GLU 9 Ca 0.05 0.79 -0.17 0.00 -0.02 0.00 0.00 57.16 57.80 3i04 n GLU 9 Cb 0.35 -2.56 -0.07 0.00 -0.02 0.00 0.00 31.44 29.14 3i04 n GLU 9 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i04 n GLY 10 N 3.46 1.68 0.20 0.62 0.00 -1.26 -4.89 105.19 105.00 3i04 n GLY 10 Ca 0.17 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 3i04 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i04 h ALA 11 N 0.00 0.42 -2.33 4.61 0.00 -1.84 -3.42 119.26 116.70 3i04 h ALA 11 Ca -0.35 -0.32 -0.62 0.00 0.00 0.00 0.00 54.91 53.62 3i04 h ALA 11 Cb 1.13 -0.10 -0.12 0.00 0.00 0.00 0.00 17.79 18.70 3i04 h ALA 11 CO 0.51 0.30 0.20 0.42 0.00 0.00 0.00 179.25 180.68 3i04 s ILE 12 N -4.65 4.88 0.59 0.00 1.01 -1.26 -4.06 121.20 117.71 3i04 s ILE 12 Ca -0.13 0.80 -0.20 0.00 0.00 0.00 0.00 60.65 61.12 3i04 s ILE 12 Cb 0.08 -4.07 -0.03 0.00 0.01 0.00 0.00 42.46 38.46 3i04 s ILE 12 CO 0.79 -0.25 1.32 -2.84 0.00 0.00 0.00 174.94 173.97 3i04 s PRO 13 N 2.74 2.89 0.12 2.79 0.02 -1.26 -4.89 135.00 137.41 3i04 s PRO 13 Ca 0.26 2.14 -0.35 0.00 0.02 0.00 0.00 61.00 63.08 3i04 s PRO 13 Cb -0.14 -2.07 -0.16 0.00 0.02 0.00 0.00 34.50 32.14 3i04 s PRO 13 CO 0.13 -1.36 1.29 0.39 -0.33 0.00 0.00 177.00 177.12 3i04 n GLU 14 N -1.42 1.20 0.00 5.54 -0.58 -1.26 -1.01 120.64 123.11 3i04 n GLU 14 Ca 0.13 0.43 0.00 0.00 -0.42 0.00 0.00 57.16 57.30 3i04 n GLU 14 Cb 0.46 -2.03 0.00 0.00 -0.57 0.00 0.00 31.44 29.31 3i04 n GLU 14 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i04 n GLY 15 N 2.37 1.37 1.53 0.62 0.00 -1.26 -4.89 105.19 104.93 3i04 n GLY 15 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 3i04 n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i04 n LYS 16 N -1.67 1.49 -1.67 1.61 5.02 -0.18 -4.98 118.16 117.78 3i04 n LYS 16 Ca 0.00 -1.12 -0.49 0.00 -2.02 0.00 0.00 58.31 54.68 3i04 n LYS 16 Cb 0.00 -1.44 -0.05 0.00 -0.02 0.00 0.00 35.03 33.52 3i04 n LYS 16 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3i04 n GLU 17 N 0.06 1.90 -1.90 1.97 4.71 -1.26 -4.79 120.64 121.32 3i04 n GLU 17 Ca 0.22 0.69 -0.42 0.00 -0.01 0.00 0.00 57.16 57.64 3i04 n GLU 17 Cb 0.85 -2.46 0.00 0.00 -1.01 0.00 0.00 31.44 28.82 3i04 n GLU 17 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 3i04 n PRO 18 N 4.92 3.01 -0.32 3.49 -0.04 -1.26 -4.78 135.00 140.02 3i04 n PRO 18 Ca 0.21 -2.82 0.03 0.00 -0.04 0.00 0.00 63.50 60.88 3i04 n PRO 18 Cb 0.26 -3.24 0.17 0.00 -0.04 0.00 0.00 33.50 30.64 3i04 n PRO 18 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3i04 h VAL 19 N 4.07 0.98 -0.57 0.52 2.07 -1.90 -1.23 116.25 120.19 3i04 h VAL 19 Ca 0.53 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.70 3i04 h VAL 19 Cb 0.66 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3i04 h VAL 19 CO 1.81 0.17 0.21 0.00 0.02 0.00 0.00 177.57 179.77 3i04 h ALA 20 N 1.45 1.30 -0.15 1.67 0.00 -1.87 0.12 119.26 121.78 3i04 h ALA 20 Ca 0.41 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3i04 h ALA 20 Cb 0.29 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3i04 h ALA 20 CO -0.21 0.51 -0.07 1.25 0.00 0.00 0.00 179.25 180.73 3i04 h LEU 21 N 0.82 0.32 -1.45 0.00 5.85 -1.20 -1.87 115.31 117.79 3i04 h LEU 21 Ca 0.19 -0.41 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 3i04 h LEU 21 Cb 0.19 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3i04 h LEU 21 CO -0.01 0.66 0.30 -0.26 -0.34 0.00 0.00 178.44 178.79 3i04 h PHE 22 N -0.01 0.65 -0.42 1.25 0.04 -0.84 -1.62 116.94 115.98 3i04 h PHE 22 Ca 0.03 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.72 3i04 h PHE 22 Cb 0.54 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.46 3i04 h PHE 22 CO 0.06 0.44 -0.10 -0.09 -0.60 0.00 0.00 178.31 178.02 3i04 h ARG 23 N 0.69 0.82 -0.75 1.51 2.43 -0.71 -1.19 114.38 117.17 3i04 h ARG 23 Ca 0.18 -0.31 0.01 0.00 -0.81 0.00 0.00 59.98 59.05 3i04 h ARG 23 Cb -0.03 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.44 3i04 h ARG 23 CO -0.03 0.93 0.49 1.49 -1.51 0.00 0.00 179.97 181.34 3i04 h GLU 24 N 0.64 0.97 -0.18 0.20 4.81 -1.03 -1.12 114.58 118.87 3i04 h GLU 24 Ca 0.11 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3i04 h GLU 24 Cb 0.63 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3i04 h GLU 24 CO 0.04 0.64 0.09 0.28 -0.73 0.00 0.00 179.01 179.33 3i04 h VAL 25 N 1.00 1.12 -0.27 0.32 2.07 -1.14 0.69 116.25 120.05 3i04 h VAL 25 Ca 0.28 -0.35 0.06 0.00 0.82 0.00 0.00 66.70 67.51 3i04 h VAL 25 Cb -0.10 1.03 -0.08 0.00 -1.52 0.00 0.00 31.29 30.62 3i04 h VAL 25 CO -0.07 0.12 -0.31 0.22 0.02 0.00 0.00 177.57 177.55 3i04 h TYR 26 N 0.17 -0.84 -0.74 1.57 -0.00 -1.03 0.42 116.97 116.52 3i04 h TYR 26 Ca 0.06 0.05 0.02 0.00 -0.00 0.00 0.00 58.73 58.86 3i04 h TYR 26 Cb 0.11 0.41 -0.04 0.00 -0.00 0.00 0.00 36.73 37.20 3i04 h TYR 26 CO -0.03 -0.37 0.47 0.45 -0.00 0.00 0.00 178.16 178.68 3i04 h HIS 27 N -0.30 0.89 -0.59 -3.82 3.86 -0.95 -1.21 115.15 113.02 3i04 h HIS 27 Ca 0.14 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.29 3i04 h HIS 27 Cb 0.52 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 3i04 h HIS 27 CO -0.46 0.52 0.03 0.78 0.86 0.00 0.00 177.93 179.67 3i04 h GLY 28 N 0.94 1.08 1.17 2.45 0.00 -0.47 -1.83 103.07 106.41 3i04 h GLY 28 Ca 0.29 -0.75 -0.21 0.00 0.00 0.00 0.00 47.33 46.66 3i04 h GLY 28 CO -0.10 0.69 -0.70 0.00 0.00 0.00 0.00 176.54 176.44 3i04 h ALA 29 N 1.10 0.36 -0.24 3.60 0.00 -0.72 -0.91 119.26 122.46 3i04 h ALA 29 Ca 0.18 -0.57 0.05 0.00 0.00 0.00 0.00 54.91 54.56 3i04 h ALA 29 Cb 0.49 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 3i04 h ALA 29 CO 0.02 0.68 -0.07 0.82 0.00 0.00 0.00 179.25 180.70 3i04 h ILE 30 N 0.59 0.73 -0.40 0.00 2.04 -1.16 -0.47 117.51 118.85 3i04 h ILE 30 Ca -0.03 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.88 3i04 h ILE 30 Cb 1.32 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 38.09 3i04 h ILE 30 CO 0.15 0.00 0.12 0.74 0.00 0.00 0.00 178.15 179.16 3i04 h THR 31 N -0.02 0.86 -0.08 -0.27 2.02 -1.23 0.07 112.91 114.26 3i04 h THR 31 Ca 0.12 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.18 3i04 h THR 31 Cb 0.20 0.56 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 3i04 h THR 31 CO -0.26 0.05 -0.05 0.00 0.37 0.00 0.00 175.52 175.63 3i04 h ALA 32 N 1.27 0.11 -0.41 6.16 0.00 -1.08 -1.48 119.26 123.83 3i04 h ALA 32 Ca 0.19 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 3i04 h ALA 32 Cb 0.18 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3i04 h ALA 32 CO -0.20 -0.11 -0.09 1.79 0.00 0.00 0.00 179.25 180.63 3i04 h THR 33 N -0.23 1.25 -0.37 0.00 1.35 -0.95 -0.99 112.91 112.96 3i04 h THR 33 Ca 0.02 -1.10 -0.15 0.00 -0.55 0.00 0.00 66.41 64.62 3i04 h THR 33 Cb 0.53 1.04 -0.01 0.00 -1.73 0.00 0.00 68.15 67.98 3i04 h THR 33 CO 0.01 0.37 -0.35 0.28 -0.25 0.00 0.00 175.52 175.58 3i04 h SER 34 N 0.65 0.96 -0.15 5.36 0.02 -0.98 -1.37 113.55 118.04 3i04 h SER 34 Ca 0.12 -0.46 -0.01 0.00 -0.84 0.00 0.00 61.79 60.59 3i04 h SER 34 Cb 0.54 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 3i04 h SER 34 CO 0.03 1.22 0.05 0.22 -1.14 0.00 0.00 176.83 177.22 3i04 h TYR 35 N 0.71 0.23 -0.77 3.45 3.20 -1.20 -1.66 116.97 120.92 3i04 h TYR 35 Ca 0.06 -0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.05 3i04 h TYR 35 Cb 0.94 -0.07 -0.09 0.00 1.54 0.00 0.00 36.73 39.06 3i04 h TYR 35 CO 0.06 0.31 0.33 0.00 -1.64 0.00 0.00 178.16 177.23 3i04 h ALA 36 N 0.89 1.10 -0.24 1.82 0.00 -1.12 -1.61 119.26 120.10 3i04 h ALA 36 Ca 0.05 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3i04 h ALA 36 Cb 0.19 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3i04 h ALA 36 CO -0.00 -0.17 0.11 1.49 0.00 0.00 0.00 179.25 180.67 3i04 h GLU 37 N 0.49 0.22 -0.16 0.00 4.22 -0.93 0.10 114.58 118.54 3i04 h GLU 37 Ca 0.42 -0.01 0.04 0.00 0.08 0.00 0.00 59.36 59.89 3i04 h GLU 37 Cb 0.61 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 3i04 h GLU 37 CO -0.38 0.15 -0.10 0.82 -2.18 0.00 0.00 179.01 177.31 3i04 h ILE 38 N 0.23 0.69 -0.38 2.32 2.04 -0.93 0.64 117.51 122.11 3i04 h ILE 38 Ca 0.10 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.82 3i04 h ILE 38 Cb 0.04 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 3i04 h ILE 38 CO -0.08 0.00 -0.31 -0.07 0.00 0.00 0.00 178.15 177.69 3i04 h LEU 39 N -0.11 0.88 0.12 1.44 3.38 -1.18 -1.95 115.31 117.89 3i04 h LEU 39 Ca 0.09 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 3i04 h LEU 39 Cb 0.25 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3i04 h LEU 39 CO -0.22 1.12 -0.06 0.25 0.09 0.00 0.00 178.44 179.62 3i04 h LEU 40 N 0.71 -0.13 -0.84 1.67 5.85 -0.46 -0.99 115.31 121.11 3i04 h LEU 40 Ca 0.08 -0.22 -0.11 0.00 0.84 0.00 0.00 57.88 58.47 3i04 h LEU 40 Cb 0.86 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 3i04 h LEU 40 CO 0.08 0.15 -0.28 0.78 -0.34 0.00 0.00 178.44 178.83 3i04 h ASN 41 N -0.43 0.55 -0.70 1.25 2.35 -0.89 -1.02 115.58 116.69 3i04 h ASN 41 Ca -0.02 -0.20 0.04 0.00 -0.55 0.00 0.00 56.30 55.57 3i04 h ASN 41 Cb 0.35 -0.15 -0.05 0.00 0.05 0.00 0.00 38.32 38.52 3i04 h ASN 41 CO 0.03 0.81 0.43 -0.61 -1.65 0.00 0.00 177.43 176.43 3i04 h GLN 42 N 0.47 0.79 -0.41 0.81 5.75 -1.37 -0.54 115.11 120.61 3i04 h GLN 42 Ca 0.06 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.49 3i04 h GLN 42 Cb 0.73 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 29.08 3i04 h GLN 42 CO 0.06 0.52 0.18 0.00 -2.65 0.00 0.00 178.83 176.94 3i04 h ALA 43 N 1.32 0.53 -0.72 3.38 0.00 -0.64 -0.64 119.26 122.49 3i04 h ALA 43 Ca 0.29 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.11 3i04 h ALA 43 Cb 0.08 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 3i04 h ALA 43 CO -0.13 0.12 0.45 0.82 0.00 0.00 0.00 179.25 180.50 3i04 h ILE 44 N 0.53 1.08 -0.48 0.00 2.04 -1.06 0.39 117.51 120.00 3i04 h ILE 44 Ca 0.14 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 3i04 h ILE 44 Cb 0.15 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 3i04 h ILE 44 CO -0.01 0.16 0.28 0.03 0.00 0.00 0.00 178.15 178.61 3i04 h ARG 45 N 0.87 0.65 0.02 2.37 3.08 -0.59 0.19 114.38 120.97 3i04 h ARG 45 Ca 0.29 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.23 3i04 h ARG 45 Cb 0.04 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 29.96 3i04 h ARG 45 CO -0.12 0.46 -0.23 1.15 -1.07 0.00 0.00 179.97 180.16 3i04 h THR 46 N 0.66 1.61 0.00 2.04 2.02 -0.56 -3.39 112.91 115.29 3i04 h THR 46 Ca 0.17 -2.10 0.00 0.00 0.77 0.00 0.00 66.41 65.25 3i04 h THR 46 Cb -0.01 2.98 0.00 0.00 -1.74 0.00 0.00 68.15 69.38 3i04 h THR 46 CO -0.03 0.57 -1.42 -1.22 0.37 0.00 0.00 175.52 173.79 3i04 n TYR 47 N -4.51 0.00 0.00 3.16 4.01 0.07 -5.10 117.16 114.80 3i04 n TYR 47 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 3i04 n TYR 47 Cb 0.52 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 39.30 3i04 n TYR 47 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i04 n GLY 48 N 1.60 0.25 0.27 2.72 0.00 0.68 -4.37 105.19 106.34 3i04 n GLY 48 Ca -0.01 -1.59 0.13 0.00 0.00 0.00 0.00 46.02 44.54 3i04 n GLY 48 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i04 h PRO 49 N 0.00 0.00 -0.00 1.61 0.13 -1.93 -2.95 132.00 128.86 3i04 h PRO 49 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3i04 h PRO 49 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3i04 h PRO 49 CO 0.00 0.10 -0.10 -0.25 -0.23 0.00 0.00 178.00 177.52 3i04 n ASP 50 N -3.65 0.22 -4.73 1.44 8.00 -1.26 0.16 116.55 116.72 3i04 n ASP 50 Ca -0.02 -0.13 -0.42 0.00 0.71 0.00 0.00 54.79 54.93 3i04 n ASP 50 Cb 0.21 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 41.08 3i04 n ASP 50 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3i04 s HIS 51 N -2.71 3.02 0.65 1.24 2.46 -1.11 -4.79 115.29 114.05 3i04 s HIS 51 Ca 0.23 0.81 -0.18 0.00 0.47 0.00 0.00 55.06 56.38 3i04 s HIS 51 Cb 0.20 -3.90 -0.01 0.00 -0.13 0.00 0.00 32.58 28.73 3i04 s HIS 51 CO 0.51 -3.12 1.22 -2.30 -2.47 0.00 0.00 174.74 168.59 3i04 n PRO 52 N 3.12 1.04 -3.86 2.88 -0.02 -1.26 -0.96 135.00 135.95 3i04 n PRO 52 Ca 0.10 0.41 -0.12 0.00 -2.02 0.00 0.00 63.50 61.87 3i04 n PRO 52 Cb 0.39 -2.46 -0.14 0.00 -0.02 0.00 0.00 33.50 31.28 3i04 n PRO 52 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3i04 s VAL 53 N -1.43 0.00 -3.30 -1.45 0.11 -0.43 -4.59 120.40 109.30 3i04 s VAL 53 Ca 0.81 -0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.85 3i04 s VAL 53 Cb -0.38 -0.08 0.00 0.00 -1.53 0.00 0.00 36.38 34.39 3i04 s VAL 53 CO 0.42 -0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.79 3i04 n GLY 54 N 3.02 -1.68 3.50 6.54 0.00 -1.26 -4.43 105.19 110.88 3i04 n GLY 54 Ca -0.12 -1.13 -0.26 0.00 0.00 0.00 0.00 46.02 44.50 3i04 n GLY 54 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i04 s TYR 55 N -2.65 2.45 0.50 1.61 4.12 -1.26 -4.79 117.35 117.32 3i04 s TYR 55 Ca 0.00 -0.30 -0.18 0.00 0.02 0.00 0.00 57.07 56.62 3i04 s TYR 55 Cb 0.00 -1.18 -0.08 0.00 -1.52 0.00 0.00 41.96 39.18 3i04 s TYR 55 CO 0.00 0.54 0.98 -1.25 0.02 0.00 0.00 175.55 175.84 3i04 s PRO 56 N -2.91 3.99 -1.25 -1.71 0.04 -1.26 -4.40 135.00 127.51 3i04 s PRO 56 Ca 0.24 1.01 -0.01 0.00 0.04 0.00 0.00 61.00 62.28 3i04 s PRO 56 Cb -0.08 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.33 3i04 s PRO 56 CO 0.13 -0.24 0.97 -0.25 0.04 0.00 0.00 177.00 177.65 3i04 n ASP 57 N -1.37 -2.47 -3.82 6.66 8.00 -1.26 -4.70 116.55 117.60 3i04 n ASP 57 Ca 0.07 -0.65 -0.12 0.00 0.71 0.00 0.00 54.79 54.80 3i04 n ASP 57 Cb 0.54 -4.89 -0.10 0.00 -0.02 0.00 0.00 41.12 36.65 3i04 n ASP 57 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3i04 s THR 58 N -3.41 0.06 -2.82 -3.53 -1.32 -1.26 -0.73 115.64 102.62 3i04 s THR 58 Ca 0.09 -0.46 0.23 0.00 -1.21 0.00 0.00 61.69 60.34 3i04 s THR 58 Cb -0.04 -0.47 0.22 0.00 -1.51 0.00 0.00 72.50 70.70 3i04 s THR 58 CO 0.75 -0.25 1.26 0.00 -2.21 0.00 0.00 174.62 174.17 3i04 n ALA 59 N 1.75 2.45 -1.38 11.08 0.00 -1.26 -4.59 120.51 128.57 3i04 n ALA 59 Ca -0.20 -0.74 -0.08 0.00 0.00 0.00 0.00 53.44 52.43 3i04 n ALA 59 Cb 0.56 -0.79 0.20 0.00 0.00 0.00 0.00 19.45 19.42 3i04 n ALA 59 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i04 n TYR 60 N 1.33 1.54 0.00 0.00 4.02 -1.26 -5.01 117.16 117.78 3i04 n TYR 60 Ca 0.14 -1.61 0.00 0.00 -0.01 0.00 0.00 57.90 56.42 3i04 n TYR 60 Cb 0.58 -0.59 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 3i04 n TYR 60 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3i04 n TYR 61 N -1.07 0.00 -3.46 -0.72 4.02 -1.26 -2.53 117.16 112.14 3i04 n TYR 61 Ca 0.39 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.85 3i04 n TYR 61 Cb 1.18 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 40.42 3i04 n TYR 61 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3i04 s LEU 62 N 0.00 5.76 0.38 7.72 1.02 -1.26 -4.47 118.68 127.83 3i04 s LEU 62 Ca 0.00 -1.71 0.11 0.00 0.02 0.00 0.00 54.13 52.55 3i04 s LEU 62 Cb 0.00 -2.10 0.76 0.00 0.02 0.00 0.00 46.19 44.87 3i04 s LEU 62 CO 0.00 -0.72 1.87 -0.65 0.02 0.00 0.00 176.35 176.87 3i04 h PRO 63 N 8.64 0.10 -0.93 1.29 0.11 -1.84 0.38 132.00 139.75 3i04 h PRO 63 Ca -0.25 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.82 3i04 h PRO 63 Cb 1.09 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.14 3i04 h PRO 63 CO 0.91 0.37 0.58 0.28 -0.21 0.00 0.00 178.00 179.92 3i04 h VAL 64 N 0.09 1.25 0.09 3.15 2.07 -1.87 0.13 116.25 121.15 3i04 h VAL 64 Ca 0.01 -0.51 -0.21 0.00 0.82 0.00 0.00 66.70 66.81 3i04 h VAL 64 Cb 0.53 -0.08 0.02 0.00 -1.52 0.00 0.00 31.29 30.25 3i04 h VAL 64 CO 0.04 0.25 -0.88 0.40 0.02 0.00 0.00 177.57 177.41 3i04 h ILE 65 N 1.27 1.41 -0.96 4.57 2.04 -1.74 -2.02 117.51 122.08 3i04 h ILE 65 Ca 0.33 -2.35 0.02 0.00 1.00 0.00 0.00 64.86 63.86 3i04 h ILE 65 Cb -0.09 2.84 -0.05 0.00 -0.74 0.00 0.00 36.82 38.78 3i04 h ILE 65 CO -0.07 0.69 0.64 -0.09 0.00 0.00 0.00 178.15 179.32 3i04 h ARG 66 N -0.08 1.25 0.26 2.37 9.65 -0.81 -0.70 114.38 126.32 3i04 h ARG 66 Ca -0.13 -0.08 -0.01 0.00 -1.10 0.00 0.00 59.98 58.66 3i04 h ARG 66 Cb 1.62 -0.28 0.00 0.00 -1.39 0.00 0.00 29.97 29.92 3i04 h ARG 66 CO 0.17 0.83 -0.12 0.00 2.80 0.00 0.00 179.97 183.64 3i04 h PHE 68 N -0.85 0.00 0.00 0.00 0.04 -1.37 0.15 116.94 114.90 3i04 h PHE 68 Ca -0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.73 3i04 h PHE 68 Cb 0.51 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.66 3i04 h PHE 68 CO 0.05 0.95 0.00 -1.13 -0.60 0.00 0.00 178.31 177.58 3i04 n SER 69 N -3.24 0.16 0.00 2.17 3.41 -0.65 -4.22 113.62 111.25 3i04 n SER 69 Ca -0.05 -0.50 0.00 0.00 -0.26 0.00 0.00 58.87 58.06 3i04 n SER 69 Cb 0.96 0.51 0.00 0.00 -0.26 0.00 0.00 64.21 65.42 3i04 n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i04 n GLY 70 N 0.51 1.16 3.75 5.00 0.00 -0.36 -4.58 105.19 110.68 3i04 n GLY 70 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3i04 n GLY 70 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i04 s GLU 71 N -0.60 4.41 -1.08 1.61 8.01 -1.25 -4.79 118.70 125.01 3i04 s GLU 71 Ca 0.00 2.09 -0.13 0.00 0.01 0.00 0.00 54.97 56.93 3i04 s GLU 71 Cb 0.00 -3.14 0.20 0.00 -4.31 0.00 0.00 34.13 26.88 3i04 s GLU 71 CO 0.00 -0.15 1.20 -1.21 0.01 0.00 0.00 175.26 175.11 3i04 s GLU 72 N -1.03 3.97 -0.06 1.61 2.02 -1.26 -3.96 118.70 119.99 3i04 s GLU 72 Ca 0.52 -2.59 -0.30 0.00 0.02 0.00 0.00 54.97 52.62 3i04 s GLU 72 Cb -0.37 -4.82 -0.04 0.00 0.10 0.00 0.00 34.13 29.00 3i04 s GLU 72 CO 0.45 -1.57 1.44 0.08 0.02 0.00 0.00 175.26 175.69 3i04 s VAL 73 N 0.83 3.82 0.00 2.63 1.01 -1.26 -4.83 120.40 122.61 3i04 s VAL 73 Ca 0.34 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.41 3i04 s VAL 73 Cb -0.06 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.62 3i04 s VAL 73 CO -0.05 -0.06 0.00 0.29 0.00 0.00 0.00 175.10 175.28 3i04 n LYS 74 N 6.26 2.38 -4.19 2.72 5.02 -1.26 -4.39 118.16 124.71 3i04 n LYS 74 Ca 0.15 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.28 3i04 n LYS 74 Cb 0.44 -0.77 -0.11 0.00 -0.02 0.00 0.00 35.03 34.56 3i04 n LYS 74 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3i04 s LYS 75 N -1.38 0.88 0.28 1.97 -2.85 -1.26 -1.32 119.74 116.05 3i04 s LYS 75 Ca 0.00 -1.16 0.00 0.00 -1.00 0.00 0.00 55.97 53.81 3i04 s LYS 75 Cb 0.00 -0.62 0.66 0.00 -2.06 0.00 0.00 37.83 35.81 3i04 s LYS 75 CO 0.00 0.10 1.63 -0.07 0.10 0.00 0.00 175.35 177.12 3i04 h LEU 76 N 3.60 -0.15 -0.80 2.77 3.38 -1.02 -0.99 115.31 122.11 3i04 h LEU 76 Ca -0.38 0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3i04 h LEU 76 Cb 1.19 0.32 0.00 0.00 0.09 0.00 0.00 40.66 42.26 3i04 h LEU 76 CO 0.52 -0.19 0.00 0.61 0.09 0.00 0.00 178.44 179.46 3i04 n GLY 77 N -1.40 -0.86 0.19 0.83 0.00 0.12 -1.90 105.19 102.17 3i04 n GLY 77 Ca 0.20 0.11 0.07 0.00 0.00 0.00 0.00 46.02 46.39 3i04 n GLY 77 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i04 h ASP 78 N 0.00 0.00 0.25 1.61 3.45 -1.42 -3.39 116.42 116.91 3i04 h ASP 78 Ca 0.00 0.00 -0.31 0.00 0.43 0.00 0.00 57.03 57.15 3i04 h ASP 78 Cb 0.09 0.00 0.03 0.00 -0.56 0.00 0.00 39.33 38.89 3i04 h ASP 78 CO 0.00 0.33 -1.32 -0.07 -1.57 0.00 0.00 179.24 176.62 3i04 h LEU 79 N 0.00 0.80 -0.79 1.55 3.38 -1.52 -3.38 115.31 115.34 3i04 h LEU 79 Ca -0.00 -0.79 0.17 0.00 0.09 0.00 0.00 57.88 57.35 3i04 h LEU 79 Cb 0.93 -0.26 -0.11 0.00 0.09 0.00 0.00 40.66 41.32 3i04 h LEU 79 CO 0.04 1.60 0.29 -0.65 0.09 0.00 0.00 178.44 179.82 3i04 h PRO 80 N 0.21 0.38 -0.25 1.13 0.11 -1.76 -0.49 132.00 131.33 3i04 h PRO 80 Ca -0.20 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.78 3i04 h PRO 80 Cb 2.00 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 33.01 3i04 h PRO 80 CO 0.25 0.25 -0.30 -1.35 -0.21 0.00 0.00 178.00 176.64 3i04 h PRO 81 N 0.39 0.51 -0.25 1.05 0.11 -1.87 -1.39 132.00 130.55 3i04 h PRO 81 Ca 0.46 -0.21 -0.06 0.00 0.11 0.00 0.00 66.00 66.30 3i04 h PRO 81 Cb 0.76 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.85 3i04 h PRO 81 CO -0.47 0.75 -0.07 0.82 -0.21 0.00 0.00 178.00 178.82 3i04 h ILE 82 N 0.44 1.29 -0.77 4.15 2.04 -1.54 -2.78 117.51 120.33 3i04 h ILE 82 Ca 0.06 -1.10 -0.02 0.00 1.00 0.00 0.00 64.86 64.80 3i04 h ILE 82 Cb 0.74 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 38.28 3i04 h ILE 82 CO 0.06 0.34 0.42 0.25 0.00 0.00 0.00 178.15 179.22 3i04 h LEU 83 N 0.22 0.97 -0.91 1.44 5.85 -0.97 -2.94 115.31 118.97 3i04 h LEU 83 Ca 0.06 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.70 3i04 h LEU 83 Cb 0.55 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 3i04 h LEU 83 CO 0.03 0.79 0.60 0.78 -0.34 0.00 0.00 178.44 180.29 3i04 h ASN 84 N 1.07 1.02 -1.00 1.25 2.35 -1.18 0.23 115.58 119.32 3i04 h ASN 84 Ca 0.27 -0.02 0.02 0.00 -0.55 0.00 0.00 56.30 56.02 3i04 h ASN 84 Cb 0.04 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.11 3i04 h ASN 84 CO -0.04 0.73 0.66 0.03 -1.65 0.00 0.00 177.43 177.16 3i04 h ARG 85 N 1.20 1.27 -0.18 0.81 3.08 -1.32 -0.62 114.38 118.63 3i04 h ARG 85 Ca 0.34 -0.08 -0.22 0.00 0.07 0.00 0.00 59.98 60.10 3i04 h ARG 85 Cb -0.10 -0.29 0.01 0.00 0.08 0.00 0.00 29.97 29.67 3i04 h ARG 85 CO -0.09 0.84 -0.73 0.87 -1.07 0.00 0.00 179.97 179.80 3i04 h LYS 86 N 1.31 0.81 -0.52 0.04 1.79 -1.26 -2.68 116.57 116.06 3i04 h LYS 86 Ca 0.38 -0.63 0.10 0.00 -2.18 0.00 0.00 60.65 58.32 3i04 h LYS 86 Cb -0.07 0.12 -0.08 0.00 -1.58 0.00 0.00 32.23 30.62 3i04 h LYS 86 CO -0.10 1.24 0.04 -0.09 -1.08 0.00 0.00 179.45 179.46 3i04 h ARG 87 N 0.55 0.16 0.00 3.15 2.43 -0.21 -1.87 114.38 118.60 3i04 h ARG 87 Ca -0.04 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3i04 h ARG 87 Cb 1.36 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 3i04 h ARG 87 CO 0.15 0.11 0.00 0.00 -1.51 0.00 0.00 179.97 178.72 3i04 h ALA 88 N 1.44 1.00 -0.01 2.80 0.00 -1.10 -2.92 119.26 120.47 3i04 h ALA 88 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3i04 h ALA 88 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3i04 h ALA 88 CO -0.40 0.00 -0.18 0.00 0.00 0.00 0.00 179.25 178.68 3i04 n GLN 89 N -2.47 1.18 -2.71 0.00 10.64 -0.71 -4.70 117.38 118.61 3i04 n GLN 89 Ca 0.03 -0.72 -0.43 0.00 -1.83 0.00 0.00 57.00 54.04 3i04 n GLN 89 Cb 0.30 -1.48 -0.03 0.00 -0.86 0.00 0.00 30.24 28.16 3i04 n GLN 89 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 3i04 s VAL 90 N -2.32 4.24 -0.08 -0.39 1.01 -1.10 -4.64 120.40 117.11 3i04 s VAL 90 Ca 0.28 0.73 -0.01 0.00 0.00 0.00 0.00 61.98 62.98 3i04 s VAL 90 Cb 0.20 -4.60 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 3i04 s VAL 90 CO 0.46 -1.13 -0.03 -0.55 0.00 0.00 0.00 175.10 173.85 3i04 s SER 91 N 2.72 4.98 0.00 3.32 0.15 -1.26 -4.99 113.70 118.62 3i04 s SER 91 Ca 0.39 0.06 0.18 0.00 0.70 0.00 0.00 55.95 57.28 3i04 s SER 91 Cb -0.09 -1.38 0.95 0.00 -1.71 0.00 0.00 66.02 63.79 3i04 s SER 91 CO 0.25 0.36 1.56 -0.81 1.20 0.00 0.00 173.24 175.79 3i04 n PRO 92 N 2.27 0.30 -2.71 5.44 -0.04 -1.26 -4.65 135.00 134.35 3i04 n PRO 92 Ca -0.18 0.10 -0.43 0.00 -0.04 0.00 0.00 63.50 62.95 3i04 n PRO 92 Cb 0.53 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 3i04 n PRO 92 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3i04 s VAL 93 N -2.51 4.32 -0.31 0.52 1.01 -1.26 -4.98 120.40 117.19 3i04 s VAL 93 Ca 0.19 0.94 -0.21 0.00 0.00 0.00 0.00 61.98 62.90 3i04 s VAL 93 Cb 0.12 -4.54 -0.01 0.00 0.00 0.00 0.00 36.38 31.96 3i04 s VAL 93 CO 0.27 -0.96 0.66 -0.76 0.00 0.00 0.00 175.10 174.31 3i04 s LEU 94 N 4.16 4.15 0.13 3.92 1.43 -1.26 -4.79 118.68 126.41 3i04 s LEU 94 Ca 0.42 0.43 -0.25 0.00 -1.03 0.00 0.00 54.13 53.70 3i04 s LEU 94 Cb -0.09 -2.86 0.07 0.00 0.03 0.00 0.00 46.19 43.34 3i04 s LEU 94 CO 0.28 -0.52 0.89 0.54 0.23 0.00 0.00 176.35 177.77 3i04 s ASN 95 N 1.66 -0.27 0.15 2.29 2.20 -1.26 -5.04 114.94 114.67 3i04 s ASN 95 Ca 0.26 -0.29 -0.17 0.00 -0.94 0.00 0.00 52.86 51.73 3i04 s ASN 95 Cb -0.15 0.50 0.01 0.00 -2.00 0.00 0.00 41.25 39.61 3i04 s ASN 95 CO 0.12 -0.88 1.81 0.15 -2.94 0.00 0.00 177.10 175.36 3i04 h PHE 96 N 2.00 0.46 -0.37 1.54 -0.00 -1.98 0.84 116.94 119.43 3i04 h PHE 96 Ca -0.24 0.01 -0.02 0.00 -0.00 0.00 0.00 57.97 57.73 3i04 h PHE 96 Cb 1.24 -0.15 -0.02 0.00 -0.00 0.00 0.00 35.95 37.02 3i04 h PHE 96 CO 0.34 0.29 0.17 1.49 -0.00 0.00 0.00 178.31 180.60 3i04 h GLU 97 N 0.50 0.53 -0.41 1.11 4.81 -1.98 -0.62 114.58 118.52 3i04 h GLU 97 Ca 0.14 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3i04 h GLU 97 Cb -0.04 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 3i04 h GLU 97 CO -0.04 0.49 0.24 -0.91 -0.73 0.00 0.00 179.01 178.05 3i04 h ASN 98 N 0.46 0.49 -0.19 1.04 2.35 -1.80 -1.31 115.58 116.62 3i04 h ASN 98 Ca 0.13 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 3i04 h ASN 98 Cb 0.13 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 3i04 h ASN 98 CO -0.01 0.39 0.00 0.00 -1.65 0.00 0.00 177.43 176.16 3i04 h ALA 99 N 1.69 0.25 -0.58 -0.83 0.00 0.13 0.36 119.26 120.29 3i04 h ALA 99 Ca 0.15 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3i04 h ALA 99 Cb -0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3i04 h ALA 99 CO -0.03 -0.03 0.36 0.00 0.00 0.00 0.00 179.25 179.55 3i04 h ARG 100 N 0.09 0.69 -0.49 0.00 3.08 -1.00 -1.23 114.38 115.52 3i04 h ARG 100 Ca 0.05 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.08 3i04 h ARG 100 Cb 0.39 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 3i04 h ARG 100 CO 0.01 0.46 0.32 -0.07 -1.07 0.00 0.00 179.97 179.62 3i04 h LEU 101 N 0.71 0.50 -0.74 3.04 3.38 -1.00 -0.67 115.31 120.53 3i04 h LEU 101 Ca 0.23 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.09 3i04 h LEU 101 Cb 0.01 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3i04 h LEU 101 CO -0.09 0.35 -0.20 0.00 0.09 0.00 0.00 178.44 178.59 3i04 h ALA 102 N 1.71 0.92 -0.06 1.53 0.00 -0.40 -2.18 119.26 120.78 3i04 h ALA 102 Ca 0.19 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.76 3i04 h ALA 102 Cb 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3i04 h ALA 102 CO -0.05 0.62 -0.02 0.78 0.00 0.00 0.00 179.25 180.58 3i04 h GLY 103 N 0.97 0.04 0.76 0.00 0.00 -0.03 -1.23 103.07 103.58 3i04 h GLY 103 Ca 0.10 0.02 0.04 0.00 0.00 0.00 0.00 47.33 47.49 3i04 h GLY 103 CO 0.05 -0.03 0.23 -2.09 0.00 0.00 0.00 176.54 174.70 3i04 h GLU 104 N -0.00 0.44 -0.99 4.80 4.81 -1.07 -1.43 114.58 121.13 3i04 h GLU 104 Ca 0.03 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 3i04 h GLU 104 Cb 0.05 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.26 3i04 h GLU 104 CO -0.07 0.29 0.64 0.00 -0.73 0.00 0.00 179.01 179.14 3i04 h ALA 105 N 1.24 1.43 -0.68 2.92 0.00 -1.20 -1.41 119.26 121.57 3i04 h ALA 105 Ca 0.20 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3i04 h ALA 105 Cb 0.11 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3i04 h ALA 105 CO -0.14 0.42 0.13 1.15 0.00 0.00 0.00 179.25 180.82 3i04 h THR 106 N 1.15 1.26 -0.68 0.00 2.02 -0.77 0.85 112.91 116.75 3i04 h THR 106 Ca 0.43 -1.01 -0.06 0.00 0.77 0.00 0.00 66.41 66.54 3i04 h THR 106 Cb 0.18 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 3i04 h THR 106 CO -0.17 0.38 0.19 -0.50 0.37 0.00 0.00 175.52 175.79 3i04 h TRP 107 N 1.03 1.11 -0.45 3.16 4.06 -0.75 0.14 115.95 124.25 3i04 h TRP 107 Ca 0.21 -0.12 -0.02 0.00 2.06 0.00 0.00 58.89 61.02 3i04 h TRP 107 Cb 0.41 -0.32 -0.02 0.00 -1.00 0.00 0.00 29.16 28.23 3i04 h TRP 107 CO 0.03 0.90 0.20 1.88 -3.56 0.00 0.00 178.44 177.90 3i04 h TYR 108 N 1.00 0.65 -0.21 0.49 0.99 -1.05 -1.31 116.97 117.54 3i04 h TYR 108 Ca 0.22 -0.04 -0.00 0.00 2.00 0.00 0.00 58.73 60.91 3i04 h TYR 108 Cb 0.33 -0.20 -0.01 0.00 1.00 0.00 0.00 36.73 37.85 3i04 h TYR 108 CO 0.03 0.54 0.12 0.00 -0.00 0.00 0.00 178.16 178.84 3i04 h ALA 109 N 1.05 0.26 -0.67 3.88 0.00 -0.66 -1.60 119.26 121.53 3i04 h ALA 109 Ca 0.15 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3i04 h ALA 109 Cb 0.14 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3i04 h ALA 109 CO -0.02 -0.21 0.44 0.00 0.00 0.00 0.00 179.25 179.46 3i04 h ALA 110 N 1.01 0.86 -0.53 0.00 0.00 -0.66 0.47 119.26 120.42 3i04 h ALA 110 Ca 0.07 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3i04 h ALA 110 Cb 0.06 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3i04 h ALA 110 CO -0.01 0.26 0.31 1.49 0.00 0.00 0.00 179.25 181.29 3i04 h GLU 111 N 0.89 0.59 -0.16 0.00 4.57 -1.21 0.20 114.58 119.46 3i04 h GLU 111 Ca 0.25 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.40 3i04 h GLU 111 Cb -0.08 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.37 3i04 h GLU 111 CO -0.07 0.39 0.10 0.82 -1.18 0.00 0.00 179.01 179.07 3i04 h ILE 112 N 0.60 1.06 -0.68 2.32 2.04 -0.83 -0.57 117.51 121.46 3i04 h ILE 112 Ca 0.22 -0.15 0.06 0.00 1.00 0.00 0.00 64.86 65.98 3i04 h ILE 112 Cb 0.05 0.89 -0.06 0.00 -0.74 0.00 0.00 36.82 36.96 3i04 h ILE 112 CO -0.11 0.06 0.38 0.40 0.00 0.00 0.00 178.15 178.88 3i04 h ILE 113 N 0.19 0.97 -0.35 -0.67 2.04 -0.50 -1.14 117.51 118.04 3i04 h ILE 113 Ca 0.06 -0.24 -0.07 0.00 1.00 0.00 0.00 64.86 65.61 3i04 h ILE 113 Cb 0.01 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 3i04 h ILE 113 CO -0.01 0.13 -0.05 -0.33 0.00 0.00 0.00 178.15 177.88 3i04 h GLU 114 N 0.70 0.66 -0.75 2.37 4.39 -0.87 -0.91 114.58 120.17 3i04 h GLU 114 Ca 0.30 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 3i04 h GLU 114 Cb 0.19 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.75 3i04 h GLU 114 CO -0.18 0.81 0.41 0.00 -1.16 0.00 0.00 179.01 178.89 3i04 h ALA 115 N 0.83 1.32 -0.47 3.43 0.00 -0.64 -1.40 119.26 122.33 3i04 h ALA 115 Ca 0.09 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3i04 h ALA 115 Cb 0.54 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3i04 h ALA 115 CO 0.03 0.56 -0.02 -0.07 0.00 0.00 0.00 179.25 179.75 3i04 h LEU 116 N 1.05 0.77 -1.10 0.00 3.38 -0.97 -2.59 115.31 115.85 3i04 h LEU 116 Ca 0.27 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.06 3i04 h LEU 116 Cb 0.02 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 3i04 h LEU 116 CO -0.04 0.85 0.61 0.03 0.09 0.00 0.00 178.44 179.97 3i04 h ARG 117 N 0.74 1.17 0.00 1.13 3.08 -0.23 -1.67 114.38 118.60 3i04 h ARG 117 Ca 0.14 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3i04 h ARG 117 Cb 0.48 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3i04 h ARG 117 CO 0.02 0.77 0.00 0.66 -1.07 0.00 0.00 179.97 180.36 3i04 n TYR 118 N -4.42 0.00 0.27 3.04 4.01 -0.62 -2.11 117.16 117.33 3i04 n TYR 118 Ca 0.12 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 58.00 3i04 n TYR 118 Cb 0.06 -0.30 0.85 0.00 -0.31 0.00 0.00 39.34 39.64 3i04 n TYR 118 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3i04 h LEU 119 N 0.00 0.00 -0.80 7.72 3.38 -1.19 -1.38 115.31 123.05 3i04 h LEU 119 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i04 h LEU 119 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3i04 h LEU 119 CO 0.00 0.00 -0.31 0.29 0.09 0.00 0.00 178.44 178.51 3i04 n LYS 120 N -3.98 1.12 -2.34 1.13 4.76 -0.90 -4.95 118.16 113.00 3i04 n LYS 120 Ca -0.02 -0.80 -0.41 0.00 -2.87 0.00 0.00 58.31 54.22 3i04 n LYS 120 Cb 0.13 -1.48 -0.03 0.00 -1.84 0.00 0.00 35.03 31.80 3i04 n LYS 120 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3i04 s TYR 121 N -2.43 3.39 0.07 2.13 5.04 -0.52 -4.94 117.35 120.10 3i04 s TYR 121 Ca 0.23 1.57 0.04 0.00 -2.44 0.00 0.00 57.07 56.47 3i04 s TYR 121 Cb 0.19 -3.43 -0.03 0.00 0.35 0.00 0.00 41.96 39.04 3i04 s TYR 121 CO 0.51 -1.07 -0.12 0.15 -1.34 0.00 0.00 175.55 173.69 3i04 s LYS 122 N -1.38 0.77 0.26 4.97 1.02 -1.19 -5.04 119.74 119.16 3i04 s LYS 122 Ca 0.47 -0.97 -0.04 0.00 0.02 0.00 0.00 55.97 55.45 3i04 s LYS 122 Cb -0.35 -0.64 0.54 0.00 -0.52 0.00 0.00 37.83 36.87 3i04 s LYS 122 CO 0.44 0.13 1.63 -1.35 -0.92 0.00 0.00 175.35 175.28 3i04 h PRO 123 N 4.13 0.12 0.00 -1.68 0.11 -2.01 -1.38 132.00 131.29 3i04 h PRO 123 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3i04 h PRO 123 Cb 1.19 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3i04 h PRO 123 CO 0.44 0.08 0.00 0.38 -0.21 0.00 0.00 178.00 178.69 3i04 h ASP 124 N 0.13 0.00 -2.63 -2.05 -0.00 -2.02 -3.39 116.42 106.46 3i04 h ASP 124 Ca 0.47 0.00 -0.60 0.00 -0.00 0.00 0.00 57.03 56.90 3i04 h ASP 124 Cb 0.88 0.00 -0.40 0.00 -0.00 0.00 0.00 39.33 39.81 3i04 h ASP 124 CO -0.69 0.00 -0.81 -0.62 -0.00 0.00 0.00 179.24 177.11 3i04 n GLU 125 N -2.66 0.91 -1.38 4.15 1.02 -0.52 -5.12 120.64 117.03 3i04 n GLU 125 Ca 0.04 -3.73 -0.33 0.00 -0.02 0.00 0.00 57.16 53.13 3i04 n GLU 125 Cb 0.45 -1.91 0.09 0.00 -0.02 0.00 0.00 31.44 30.04 3i04 n GLU 125 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3i04 s PRO 126 N -0.65 2.21 0.39 3.49 0.04 -1.24 -3.16 135.00 136.09 3i04 s PRO 126 Ca 0.30 1.46 0.07 0.00 0.04 0.00 0.00 61.00 62.87 3i04 s PRO 126 Cb 0.02 -1.87 0.78 0.00 0.04 0.00 0.00 34.50 33.47 3i04 s PRO 126 CO -0.18 -1.72 1.98 -0.07 0.04 0.00 0.00 177.00 177.06 3i04 h LEU 127 N -0.64 0.42 -8.15 -3.56 4.07 -1.92 -3.44 115.31 102.11 3i04 h LEU 127 Ca -0.46 -0.04 -0.32 0.00 0.08 0.00 0.00 57.88 57.14 3i04 h LEU 127 Cb 1.26 -0.11 -0.23 0.00 1.08 0.00 0.00 40.66 42.66 3i04 h LEU 127 CO 0.50 0.40 -0.75 -0.76 -1.08 0.00 0.00 178.44 176.76 3i04 s LEU 128 N -9.24 2.19 0.68 1.67 1.43 -1.26 -5.16 118.68 108.99 3i04 s LEU 128 Ca -0.08 -0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 52.56 3i04 s LEU 128 Cb 0.16 -0.27 0.08 0.00 0.03 0.00 0.00 46.19 46.20 3i04 s LEU 128 CO 0.74 -0.10 0.95 -2.16 0.23 0.00 0.00 176.35 176.01 3i04 s PRO 129 N -1.20 2.02 0.62 1.29 0.04 -1.26 -4.86 135.00 131.65 3i04 s PRO 129 Ca -0.05 -0.75 -0.18 0.00 0.04 0.00 0.00 61.00 60.06 3i04 s PRO 129 Cb -0.08 -2.31 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 3i04 s PRO 129 CO 0.01 -1.22 0.98 -2.30 0.04 0.00 0.00 177.00 174.51 3i04 n PRO 130 N -2.76 0.85 -0.04 0.56 -0.02 -1.26 -1.43 135.00 130.89 3i04 n PRO 130 Ca 0.11 0.33 0.11 0.00 -2.02 0.00 0.00 63.50 62.03 3i04 n PRO 130 Cb 0.60 -2.20 0.48 0.00 -0.02 0.00 0.00 33.50 32.37 3i04 n PRO 130 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3i04 n PRO 131 N -1.20 1.45 -1.73 0.52 -0.04 -1.26 -5.10 135.00 127.63 3i04 n PRO 131 Ca 0.14 -0.67 -0.38 0.00 -0.04 0.00 0.00 63.50 62.55 3i04 n PRO 131 Cb 0.48 -1.38 0.05 0.00 -0.04 0.00 0.00 33.50 32.61 3i04 n PRO 131 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3i04 n TRP 132 N -0.13 2.15 -0.10 0.54 8.01 -0.52 -4.49 117.44 122.90 3i04 n TRP 132 Ca 0.16 0.43 -0.14 0.00 -1.31 0.00 0.00 57.50 56.65 3i04 n TRP 132 Cb 0.24 -2.34 -0.11 0.00 -2.01 0.00 0.00 31.31 27.09 3i04 n TRP 132 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 3i04 n THR 133 N -1.17 1.24 -4.94 -0.99 -2.24 0.14 -4.78 114.28 101.54 3i04 n THR 133 Ca 0.11 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3i04 n THR 133 Cb 0.45 -1.13 0.00 0.00 -2.10 0.00 0.00 70.33 67.55 3i04 n THR 133 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i04 n GLY 134 N 2.36 2.76 3.70 3.38 0.00 -1.09 -4.56 105.19 111.74 3i04 n GLY 134 Ca -0.36 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 3i04 n GLY 134 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3i04 n PHE 135 N 13.14 2.57 -3.65 1.61 7.35 -1.26 -4.86 117.46 132.36 3i04 n PHE 135 Ca 0.00 0.21 -0.37 0.00 -0.76 0.00 0.00 57.45 56.53 3i04 n PHE 135 Cb 0.00 -2.59 -0.11 0.00 0.35 0.00 0.00 39.48 37.13 3i04 n PHE 135 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 3i04 s ILE 136 N 0.64 5.17 0.70 -2.13 1.01 -1.26 -5.04 121.20 120.29 3i04 s ILE 136 Ca 0.72 0.12 -0.15 0.00 0.00 0.00 0.00 60.65 61.34 3i04 s ILE 136 Cb -0.57 -3.44 0.02 0.00 0.01 0.00 0.00 42.46 38.49 3i04 s ILE 136 CO 0.40 0.30 1.16 -0.83 0.00 0.00 0.00 174.94 175.97 3i04 s GLY 137 N 1.50 2.24 0.29 6.18 0.00 -1.26 -4.84 107.32 111.42 3i04 s GLY 137 Ca 0.07 0.72 0.02 0.00 0.00 0.00 0.00 44.72 45.53 3i04 s GLY 137 CO 0.08 1.11 1.65 -0.55 0.00 0.00 0.00 173.10 175.38 3i04 h ASP 138 N -0.18 0.00 -0.56 1.64 3.45 -1.23 -2.15 116.42 117.39 3i04 h ASP 138 Ca -0.47 0.20 0.05 0.00 0.43 0.00 0.00 57.03 57.23 3i04 h ASP 138 Cb 1.27 0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 40.28 3i04 h ASP 138 CO 0.51 -0.16 0.37 -0.65 -1.57 0.00 0.00 179.24 177.75 3i04 h PRO 139 N 0.21 0.56 -0.17 3.56 0.11 -1.87 -0.53 132.00 133.86 3i04 h PRO 139 Ca 0.55 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.57 3i04 h PRO 139 Cb 1.11 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 3i04 h PRO 139 CO -0.65 0.37 -0.11 0.28 -0.21 0.00 0.00 178.00 177.67 3i04 h VAL 140 N 0.58 1.32 -0.66 3.15 2.07 -1.75 -0.08 116.25 120.88 3i04 h VAL 140 Ca 0.23 -1.21 0.11 0.00 0.82 0.00 0.00 66.70 66.65 3i04 h VAL 140 Cb 0.20 1.74 -0.08 0.00 -1.52 0.00 0.00 31.29 31.63 3i04 h VAL 140 CO -0.06 0.36 0.26 0.58 0.02 0.00 0.00 177.57 178.73 3i04 h VAL 141 N 0.06 0.75 -0.17 2.57 2.07 -1.16 -2.70 116.25 117.66 3i04 h VAL 141 Ca 0.04 -0.15 -0.20 0.00 0.82 0.00 0.00 66.70 67.20 3i04 h VAL 141 Cb 0.62 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3i04 h VAL 141 CO 0.03 0.08 -0.70 0.03 0.02 0.00 0.00 177.57 177.03 3i04 h ARG 142 N 0.44 0.72 -0.68 1.57 3.08 -1.07 -2.92 114.38 115.53 3i04 h ARG 142 Ca 0.34 -0.55 0.14 0.00 0.07 0.00 0.00 59.98 59.98 3i04 h ARG 142 Cb 0.44 0.10 -0.13 0.00 0.08 0.00 0.00 29.97 30.46 3i04 h ARG 142 CO -0.33 1.17 -0.14 -0.09 -1.07 0.00 0.00 179.97 179.51 3i04 h ARG 143 N 0.51 0.02 -0.01 0.04 2.43 -0.69 -1.91 114.38 114.77 3i04 h ARG 143 Ca -0.03 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3i04 h ARG 143 Cb 1.31 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 3i04 h ARG 143 CO 0.14 0.01 -0.16 1.19 -1.51 0.00 0.00 179.97 179.64 3i04 n PHE 144 N -5.43 0.00 -0.35 2.20 3.72 -1.09 -4.27 117.46 112.23 3i04 n PHE 144 Ca 0.09 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.55 3i04 n PHE 144 Cb 0.36 -0.09 0.23 0.00 -0.94 0.00 0.00 39.48 39.04 3i04 n PHE 144 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3i04 h GLY 145 N 4.91 1.55 2.00 1.37 0.00 -1.14 -0.99 103.07 110.76 3i04 h GLY 145 Ca 0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 46.84 3i04 h GLY 145 CO 0.00 0.23 -0.26 1.19 0.00 0.00 0.00 176.54 177.70 3i04 h ILE 146 N 1.04 0.91 0.00 2.60 6.09 -1.74 -0.85 117.51 125.56 3i04 h ILE 146 Ca 0.46 -0.98 0.00 0.00 -1.37 0.00 0.00 64.86 62.97 3i04 h ILE 146 Cb 0.37 1.57 0.00 0.00 0.47 0.00 0.00 36.82 39.23 3i04 h ILE 146 CO -0.22 0.25 0.00 0.11 -3.07 0.00 0.00 178.15 175.22 3i04 h LYS 147 N 0.00 0.00 0.08 2.19 1.57 -1.47 -3.33 116.57 115.61 3i04 h LYS 147 Ca -0.00 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.49 3i04 h LYS 147 Cb 0.55 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.89 3i04 h LYS 147 CO 0.03 0.00 -1.18 0.52 -0.57 0.00 0.00 179.45 178.26 3i04 h MET 148 N 0.00 0.66 -0.02 3.15 2.86 -0.90 -0.95 114.93 119.73 3i04 h MET 148 Ca 0.00 -0.81 -0.01 0.00 -2.06 0.00 0.00 59.70 56.82 3i04 h MET 148 Cb 0.86 0.25 -0.00 0.00 0.06 0.00 0.00 31.60 32.77 3i04 h MET 148 CO 0.00 1.36 -0.03 -0.39 1.06 0.00 0.00 176.91 178.91 3i04 h VAL 149 N 0.32 1.03 -0.41 -2.22 -1.51 -1.56 -2.11 116.25 109.80 3i04 h VAL 149 Ca -0.17 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 65.15 3i04 h VAL 149 Cb 1.84 1.06 0.00 0.00 -2.13 0.00 0.00 31.29 32.06 3i04 h VAL 149 CO 0.23 0.05 0.00 -0.90 -1.23 0.00 0.00 177.57 175.71 3i04 n ASP 150 N -4.49 3.29 -1.44 4.19 3.85 -1.26 -4.72 116.55 115.98 3i04 n ASP 150 Ca -0.03 -2.14 -0.19 0.00 -0.71 0.00 0.00 54.79 51.73 3i04 n ASP 150 Cb 0.12 -0.32 -0.08 0.00 -1.35 0.00 0.00 41.12 39.49 3i04 n ASP 150 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 3i04 n TRP 151 N 0.60 -0.01 0.01 2.11 7.02 -0.79 -4.88 117.44 121.50 3i04 n TRP 151 Ca 0.15 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.69 3i04 n TRP 151 Cb 0.53 -3.17 0.46 0.00 -2.42 0.00 0.00 31.31 26.71 3i04 n TRP 151 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3i04 h THR 152 N 0.00 1.07 -3.33 -0.99 1.03 -1.64 -2.99 112.91 106.06 3i04 h THR 152 Ca -0.38 -0.16 -0.65 0.00 -0.01 0.00 0.00 66.41 65.20 3i04 h THR 152 Cb 1.22 0.54 -0.15 0.00 -1.07 0.00 0.00 68.15 68.68 3i04 h THR 152 CO 0.56 0.09 0.24 -0.63 -0.01 0.00 0.00 175.52 175.76 3i04 s ILE 153 N -5.44 4.71 -0.85 0.00 1.01 -0.43 -4.48 121.20 115.72 3i04 s ILE 153 Ca -0.08 -0.09 0.27 0.00 0.00 0.00 0.00 60.65 60.75 3i04 s ILE 153 Cb 0.18 -4.35 0.21 0.00 0.01 0.00 0.00 42.46 38.51 3i04 s ILE 153 CO 0.73 -0.85 1.75 -0.81 0.00 0.00 0.00 174.94 175.75 3i04 n PRO 154 N 6.61 0.14 -3.39 2.79 -0.04 -1.13 -4.68 135.00 135.30 3i04 n PRO 154 Ca -0.03 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 3i04 n PRO 154 Cb 0.47 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 3i04 n PRO 154 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i04 n GLY 155 N 1.40 -1.55 3.08 0.55 0.00 -1.26 -4.75 105.19 102.66 3i04 n GLY 155 Ca 0.06 -1.05 -0.23 0.00 0.00 0.00 0.00 46.02 44.80 3i04 n GLY 155 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i04 s GLU 156 N -1.38 1.33 -0.26 1.61 8.01 0.20 -2.31 118.70 125.91 3i04 s GLU 156 Ca 0.00 -0.48 -0.05 0.00 0.01 0.00 0.00 54.97 54.45 3i04 s GLU 156 Cb 0.00 -1.21 -0.00 0.00 -4.31 0.00 0.00 34.13 28.61 3i04 s GLU 156 CO 0.00 0.21 0.02 0.00 0.01 0.00 0.00 175.26 175.51 3i04 s ALA 157 N -0.00 2.97 -0.41 5.21 0.00 0.03 -1.84 121.76 127.72 3i04 s ALA 157 Ca -0.01 -1.30 -0.16 0.00 0.00 0.00 0.00 51.96 50.49 3i04 s ALA 157 Cb -0.09 -1.95 0.02 0.00 0.00 0.00 0.00 23.12 21.10 3i04 s ALA 157 CO 0.01 -0.67 0.33 0.42 0.00 0.00 0.00 175.76 175.85 3i04 s ILE 158 N 1.50 5.22 -0.37 0.00 1.01 -0.40 -1.32 121.20 126.85 3i04 s ILE 158 Ca 0.04 -0.57 -0.13 0.00 0.00 0.00 0.00 60.65 59.99 3i04 s ILE 158 Cb -0.16 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.36 3i04 s ILE 158 CO 0.00 -0.33 0.25 -0.63 0.00 0.00 0.00 174.94 174.23 3i04 s ILE 159 N 1.79 5.17 -0.18 2.92 1.01 0.15 -0.02 121.20 132.04 3i04 s ILE 159 Ca 0.07 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.28 3i04 s ILE 159 Cb -0.18 -3.75 0.04 0.00 0.01 0.00 0.00 42.46 38.57 3i04 s ILE 159 CO 0.11 -0.13 -0.09 -0.22 0.00 0.00 0.00 174.94 174.61 3i04 s LEU 160 N 1.69 2.02 0.00 2.97 2.96 -0.04 -0.44 118.68 127.83 3i04 s LEU 160 Ca 0.05 -0.79 0.00 0.00 -0.22 0.00 0.00 54.13 53.17 3i04 s LEU 160 Cb -0.18 -1.12 0.00 0.00 0.50 0.00 0.00 46.19 45.39 3i04 s LEU 160 CO 0.10 -0.15 0.00 0.61 -1.32 0.00 0.00 176.35 175.58 3i04 n GLY 161 N 4.75 0.07 2.81 7.98 0.00 -0.50 -0.84 105.19 119.47 3i04 n GLY 161 Ca -0.14 -1.69 -0.19 0.00 0.00 0.00 0.00 46.02 44.00 3i04 n GLY 161 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i04 s ARG 162 N -0.12 0.41 0.64 1.61 3.52 -0.11 -0.76 118.95 124.15 3i04 s ARG 162 Ca 0.00 0.08 -0.15 0.00 -0.13 0.00 0.00 55.73 55.52 3i04 s ARG 162 Cb 0.00 -0.62 -0.01 0.00 -1.56 0.00 0.00 34.95 32.76 3i04 s ARG 162 CO 0.00 -0.17 1.10 0.00 -0.81 0.00 0.00 175.30 175.42 3i04 s ALA 163 N 1.25 2.53 0.49 6.12 0.00 -1.26 -2.49 121.76 128.41 3i04 s ALA 163 Ca -0.06 0.53 0.23 0.00 0.00 0.00 0.00 51.96 52.66 3i04 s ALA 163 Cb -0.13 -3.30 1.29 0.00 0.00 0.00 0.00 23.12 20.97 3i04 s ALA 163 CO -0.02 -1.17 1.95 1.57 0.00 0.00 0.00 175.76 178.09 3i04 h LYS 164 N 0.15 0.15 -2.85 0.00 2.10 -1.99 -3.42 116.57 110.71 3i04 h LYS 164 Ca -0.47 -0.01 -0.03 0.00 -2.00 0.00 0.00 60.65 58.14 3i04 h LYS 164 Cb 1.24 -0.03 -0.14 0.00 -0.90 0.00 0.00 32.23 32.40 3i04 h LYS 164 CO 0.55 0.10 0.17 0.16 -2.00 0.00 0.00 179.45 178.43 3i04 s ASP 165 N -6.00 -0.55 0.44 7.07 1.47 -1.26 -5.06 116.67 112.78 3i04 s ASP 165 Ca -0.06 0.11 0.14 0.00 1.18 0.00 0.00 52.55 53.91 3i04 s ASP 165 Cb 0.21 0.57 0.97 0.00 -0.34 0.00 0.00 42.92 44.33 3i04 s ASP 165 CO 0.75 -0.88 1.98 0.77 0.68 0.00 0.00 175.17 178.47 3i04 h SER 166 N 2.25 0.04 -0.10 2.11 4.64 -1.89 -2.43 113.55 118.17 3i04 h SER 166 Ca -0.33 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 60.89 3i04 h SER 166 Cb 1.27 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3i04 h SER 166 CO 0.39 0.21 -0.31 0.11 -0.87 0.00 0.00 176.83 176.36 3i04 h LYS 167 N 0.04 0.38 -0.82 4.77 1.79 -1.97 -2.41 116.57 118.35 3i04 h LYS 167 Ca 0.01 -0.28 -0.00 0.00 -2.18 0.00 0.00 60.65 58.19 3i04 h LYS 167 Cb 0.32 0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 30.98 3i04 h LYS 167 CO 0.02 0.91 0.49 0.00 -1.08 0.00 0.00 179.45 179.79 3i04 h ALA 168 N 0.48 1.32 0.05 3.86 0.00 -1.93 -2.35 119.26 120.69 3i04 h ALA 168 Ca -0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3i04 h ALA 168 Cb 0.94 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3i04 h ALA 168 CO 0.07 0.58 -0.02 1.25 0.00 0.00 0.00 179.25 181.12 3i04 h LEU 169 N 1.13 -0.06 -1.11 0.00 6.46 -1.47 -2.95 115.31 117.31 3i04 h LEU 169 Ca 0.29 -0.16 0.13 0.00 -0.12 0.00 0.00 57.88 58.03 3i04 h LEU 169 Cb -0.05 0.01 -0.08 0.00 -0.73 0.00 0.00 40.66 39.82 3i04 h LEU 169 CO -0.06 0.13 0.61 0.00 -0.62 0.00 0.00 178.44 178.50 3i04 h ALA 170 N 0.70 1.65 -0.33 1.25 0.00 -1.27 -0.02 119.26 121.23 3i04 h ALA 170 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3i04 h ALA 170 Cb 0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3i04 h ALA 170 CO 0.01 0.09 0.21 -0.22 0.00 0.00 0.00 179.25 179.35 3i04 h LYS 171 N 0.86 0.44 -0.62 0.00 3.64 -1.44 0.29 116.57 119.74 3i04 h LYS 171 Ca 0.49 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.78 3i04 h LYS 171 Cb 0.61 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 3i04 h LYS 171 CO -0.25 0.31 0.17 0.82 -2.27 0.00 0.00 179.45 178.22 3i04 h ILE 172 N 0.44 1.25 -0.45 2.00 2.04 -1.26 -1.98 117.51 119.56 3i04 h ILE 172 Ca 0.12 -0.88 -0.13 0.00 1.00 0.00 0.00 64.86 64.97 3i04 h ILE 172 Cb -0.03 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 3i04 h ILE 172 CO -0.03 0.33 -0.22 0.58 0.00 0.00 0.00 178.15 178.82 3i04 h VAL 173 N 0.90 1.27 -0.66 1.67 2.07 -0.81 0.05 116.25 120.74 3i04 h VAL 173 Ca 0.20 -1.38 0.07 0.00 0.82 0.00 0.00 66.70 66.41 3i04 h VAL 173 Cb 0.33 1.20 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 3i04 h VAL 173 CO -0.00 0.47 0.34 0.50 0.02 0.00 0.00 177.57 178.90 3i04 h LYS 174 N 0.78 0.60 -0.48 1.57 3.64 -0.35 0.17 116.57 122.50 3i04 h LYS 174 Ca 0.10 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 3i04 h LYS 174 Cb 0.80 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 3i04 h LYS 174 CO 0.07 0.40 0.19 1.49 -2.27 0.00 0.00 179.45 179.32 3i04 h GLU 175 N 0.62 0.72 -0.60 1.90 4.81 -0.92 -2.29 114.58 118.82 3i04 h GLU 175 Ca 0.31 -0.13 -0.08 0.00 -0.13 0.00 0.00 59.36 59.33 3i04 h GLU 175 Cb 0.25 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3i04 h GLU 175 CO -0.21 0.65 0.07 -0.07 -0.73 0.00 0.00 179.01 178.71 3i04 h LEU 176 N 0.63 0.98 -1.13 1.64 3.38 -0.52 -2.55 115.31 117.73 3i04 h LEU 176 Ca 0.16 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 3i04 h LEU 176 Cb 0.20 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3i04 h LEU 176 CO -0.01 1.01 -0.32 0.24 0.09 0.00 0.00 178.44 179.45 3i04 h MET 177 N 0.91 0.19 0.00 1.13 2.86 -0.62 -1.65 114.93 117.77 3i04 h MET 177 Ca 0.18 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3i04 h MET 177 Cb 0.47 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.11 3i04 h MET 177 CO 0.02 0.50 0.00 0.78 1.06 0.00 0.00 176.91 179.27 3i04 h GLY 178 N 1.07 0.00 -2.26 8.32 0.00 -1.06 -2.49 103.07 106.64 3i04 h GLY 178 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3i04 h GLY 178 CO 0.05 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.62 3i04 n MET 179 N -2.97 2.49 -0.92 4.80 2.00 -0.69 -4.78 117.12 117.05 3i04 n MET 179 Ca 0.01 -2.24 0.00 0.00 0.00 0.00 0.00 57.70 55.47 3i04 n MET 179 Cb 0.31 -1.51 0.00 0.00 0.00 0.00 0.00 33.22 32.02 3i04 n MET 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3i04 n GLY 180 N 1.49 0.49 3.72 3.03 0.00 -0.94 -4.45 105.19 108.54 3i04 n GLY 180 Ca 0.19 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 3i04 n GLY 180 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i04 s PHE 181 N -2.00 3.11 0.14 1.61 0.40 -0.75 -4.09 117.98 116.40 3i04 s PHE 181 Ca 0.00 0.82 -0.30 0.00 -0.60 0.00 0.00 56.93 56.85 3i04 s PHE 181 Cb 0.00 -3.83 -0.07 0.00 0.51 0.00 0.00 43.02 39.63 3i04 s PHE 181 CO 0.00 -2.93 1.19 1.41 0.70 0.00 0.00 175.22 175.59 3i04 s MET 182 N 0.77 4.48 -0.00 0.44 -2.45 -0.98 -4.71 119.30 116.85 3i04 s MET 182 Ca 0.66 1.82 0.08 0.00 -1.25 0.00 0.00 55.69 57.00 3i04 s MET 182 Cb -0.41 -3.28 -0.02 0.00 1.25 0.00 0.00 34.83 32.36 3i04 s MET 182 CO 0.34 -0.14 -0.26 -0.51 1.05 0.00 0.00 175.02 175.50 3i04 s LEU 183 N 0.25 2.08 -0.11 4.11 1.43 -0.54 -0.79 118.68 125.11 3i04 s LEU 183 Ca 0.55 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 53.17 3i04 s LEU 183 Cb -0.31 -1.32 0.01 0.00 0.03 0.00 0.00 46.19 44.60 3i04 s LEU 183 CO 0.33 0.30 -0.18 -0.36 0.23 0.00 0.00 176.35 176.67 3i04 s PHE 184 N -0.67 2.23 -0.06 0.29 0.40 -0.43 -0.40 117.98 119.35 3i04 s PHE 184 Ca 0.10 -1.05 0.04 0.00 -0.60 0.00 0.00 56.93 55.42 3i04 s PHE 184 Cb -0.10 -1.56 -0.00 0.00 0.51 0.00 0.00 43.02 41.87 3i04 s PHE 184 CO -0.00 -0.50 -0.18 0.42 0.70 0.00 0.00 175.22 175.66 3i04 s ILE 185 N 0.83 1.49 -0.04 0.64 1.09 0.22 0.33 121.20 125.76 3i04 s ILE 185 Ca -0.09 -0.73 -0.02 0.00 -1.10 0.00 0.00 60.65 58.71 3i04 s ILE 185 Cb -0.16 -1.29 0.02 0.00 -1.06 0.00 0.00 42.46 39.98 3i04 s ILE 185 CO -0.00 0.43 0.09 0.00 -0.10 0.00 0.00 174.94 175.36 3i04 n ASP 187 N 3.68 0.00 0.29 0.00 8.00 0.24 -1.40 116.55 127.35 3i04 n ASP 187 Ca -0.20 0.00 0.17 0.00 0.71 0.00 0.00 54.79 55.47 3i04 n ASP 187 Cb 0.55 0.00 0.90 0.00 -0.02 0.00 0.00 41.12 42.55 3i04 n ASP 187 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3i04 h GLU 188 N 0.00 0.00 -1.21 -1.24 3.07 -1.77 -0.29 114.58 113.15 3i04 h GLU 188 Ca 0.00 0.00 0.35 0.00 -0.50 0.00 0.00 59.36 59.21 3i04 h GLU 188 Cb 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 27.84 3i04 h GLU 188 CO 0.00 0.05 0.84 0.00 -1.40 0.00 0.00 179.01 178.50 3i04 h ALA 189 N 1.95 2.92 0.20 3.43 0.00 -1.12 0.44 119.26 127.08 3i04 h ALA 189 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3i04 h ALA 189 Cb 0.22 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3i04 h ALA 189 CO 0.01 -1.31 -0.10 0.28 0.00 0.00 0.00 179.25 178.13 3i04 h VAL 190 N 0.10 0.87 -0.09 0.00 2.07 -1.30 -2.40 116.25 115.51 3i04 h VAL 190 Ca 0.61 -0.40 -0.10 0.00 0.82 0.00 0.00 66.70 67.63 3i04 h VAL 190 Cb 2.19 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 33.05 3i04 h VAL 190 CO -0.11 0.09 -0.41 -0.33 0.02 0.00 0.00 177.57 176.83 3i04 h GLU 191 N -0.48 0.19 -0.55 1.57 3.07 -1.39 -1.49 114.58 115.50 3i04 h GLU 191 Ca -0.03 -0.09 -0.00 0.00 -0.50 0.00 0.00 59.36 58.74 3i04 h GLU 191 Cb 0.36 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.24 3i04 h GLU 191 CO 0.05 0.58 0.34 1.96 -1.40 0.00 0.00 179.01 180.53 3i04 h GLN 192 N 0.16 0.74 -0.29 2.33 4.20 -0.94 -0.73 115.11 120.57 3i04 h GLN 192 Ca 0.01 -0.06 -0.17 0.00 0.06 0.00 0.00 58.65 58.49 3i04 h GLN 192 Cb 0.80 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.42 3i04 h GLN 192 CO 0.06 0.53 -0.47 -0.07 -0.67 0.00 0.00 178.83 178.21 3i04 h LEU 193 N 0.74 0.92 -0.92 1.46 3.38 -1.25 -2.77 115.31 116.87 3i04 h LEU 193 Ca 0.20 -0.52 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 3i04 h LEU 193 Cb -0.03 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 3i04 h LEU 193 CO -0.04 1.26 0.14 -0.07 0.09 0.00 0.00 178.44 179.82 3i04 h LEU 194 N 0.61 0.87 -1.24 1.67 3.38 -1.17 -1.18 115.31 118.25 3i04 h LEU 194 Ca 0.02 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 3i04 h LEU 194 Cb 1.07 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 3i04 h LEU 194 CO 0.11 0.85 -0.13 1.05 0.09 0.00 0.00 178.44 180.41 3i04 h GLU 195 N 0.89 0.00 -0.38 1.13 4.11 -1.08 -2.61 114.58 116.64 3i04 h GLU 195 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.62 3i04 h GLU 195 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3i04 h GLU 195 CO 0.00 0.13 0.00 0.39 0.07 0.00 0.00 179.01 179.60 3i04 n GLU 196 N -3.28 1.79 -2.63 1.06 -0.58 -0.88 -4.90 120.64 111.21 3i04 n GLU 196 Ca 0.00 -1.04 -0.22 0.00 -0.42 0.00 0.00 57.16 55.49 3i04 n GLU 196 Cb 0.38 -1.31 0.01 0.00 -0.57 0.00 0.00 31.44 29.94 3i04 n GLU 196 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3i04 n ASN 197 N 0.30 -6.03 -4.75 1.62 3.02 -0.98 -4.97 115.26 103.47 3i04 n ASN 197 Ca 0.10 -0.12 -0.40 0.00 -0.03 0.00 0.00 54.58 54.12 3i04 n ASN 197 Cb 0.30 -4.97 -0.06 0.00 -0.61 0.00 0.00 39.78 34.45 3i04 n ASN 197 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i04 s VAL 198 N -3.10 4.07 -0.32 2.41 1.01 -0.50 -4.97 120.40 118.99 3i04 s VAL 198 Ca 0.11 2.04 -0.27 0.00 0.00 0.00 0.00 61.98 63.86 3i04 s VAL 198 Cb -0.05 -4.30 0.01 0.00 0.00 0.00 0.00 36.38 32.04 3i04 s VAL 198 CO 0.14 0.47 0.97 -0.54 0.00 0.00 0.00 175.10 176.14 3i04 s LYS 199 N -1.07 4.01 0.21 2.72 -0.14 -1.26 -4.58 119.74 119.62 3i04 s LYS 199 Ca 0.42 0.88 0.11 0.00 -1.36 0.00 0.00 55.97 56.02 3i04 s LYS 199 Cb -0.26 -3.74 -0.05 0.00 -1.68 0.00 0.00 37.83 32.10 3i04 s LYS 199 CO 0.33 -0.84 -0.23 -0.51 -0.76 0.00 0.00 175.35 173.34 3i04 s LEU 200 N 3.42 2.46 0.00 3.17 1.43 -1.26 -4.93 118.68 122.98 3i04 s LEU 200 Ca 0.41 -0.90 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 3i04 s LEU 200 Cb -0.13 -1.14 0.00 0.00 0.03 0.00 0.00 46.19 44.95 3i04 s LEU 200 CO 0.15 0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.44 3i04 n GLY 201 N 0.10 1.09 0.32 -3.19 0.00 0.21 -4.84 105.19 98.88 3i04 n GLY 201 Ca -0.11 -1.99 -0.00 0.00 0.00 0.00 0.00 46.02 43.92 3i04 n GLY 201 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3i04 h ILE 202 N 4.27 1.07 0.00 -0.61 2.04 -1.82 -2.24 117.51 120.22 3i04 h ILE 202 Ca 0.00 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3i04 h ILE 202 Cb 0.00 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.07 3i04 h ILE 202 CO 0.00 0.18 0.00 0.47 0.00 0.00 0.00 178.15 178.80 3i04 n ASP 203 N -4.61 0.28 -0.73 1.72 8.00 -1.26 -2.15 116.55 117.81 3i04 n ASP 203 Ca 0.12 0.57 0.08 0.00 0.71 0.00 0.00 54.79 56.26 3i04 n ASP 203 Cb 0.15 -0.63 0.12 0.00 -0.02 0.00 0.00 41.12 40.74 3i04 n ASP 203 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3i04 n TYR 204 N -1.81 0.22 -3.17 1.24 4.01 -0.87 -3.50 117.16 113.27 3i04 n TYR 204 Ca 0.03 -0.16 -0.23 0.00 -0.16 0.00 0.00 57.90 57.38 3i04 n TYR 204 Cb 0.21 -0.01 0.03 0.00 -0.31 0.00 0.00 39.34 39.26 3i04 n TYR 204 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3i04 n ILE 205 N 0.91 -1.83 -3.53 -0.72 5.41 -0.91 -4.49 119.36 114.21 3i04 n ILE 205 Ca 0.12 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.58 3i04 n ILE 205 Cb 0.43 -3.09 -0.14 0.00 -0.71 0.00 0.00 39.64 36.12 3i04 n ILE 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i04 s ALA 206 N -3.13 0.58 -0.41 -1.39 0.00 -1.03 -1.47 121.76 114.92 3i04 s ALA 206 Ca 0.36 -1.11 -0.14 0.00 0.00 0.00 0.00 51.96 51.07 3i04 s ALA 206 Cb -0.17 -1.43 0.03 0.00 0.00 0.00 0.00 23.12 21.55 3i04 s ALA 206 CO 0.44 -1.69 0.28 0.71 0.00 0.00 0.00 175.76 175.49 3i04 s TYR 207 N 2.02 3.25 -0.54 0.00 2.02 0.47 0.63 117.35 125.20 3i04 s TYR 207 Ca 0.10 -0.79 -0.29 0.00 -0.37 0.00 0.00 57.07 55.72 3i04 s TYR 207 Cb -0.16 -2.62 0.03 0.00 -0.40 0.00 0.00 41.96 38.81 3i04 s TYR 207 CO -0.33 -0.64 1.17 -1.25 -1.57 0.00 0.00 175.55 172.92 3i04 s PRO 208 N 1.62 3.60 0.04 -1.71 0.05 -1.26 -0.61 135.00 136.73 3i04 s PRO 208 Ca 0.04 0.38 0.00 0.00 0.05 0.00 0.00 61.00 61.47 3i04 s PRO 208 Cb -0.20 -3.97 -0.26 0.00 0.05 0.00 0.00 34.50 30.12 3i04 s PRO 208 CO 0.08 -1.55 0.99 -0.07 0.05 0.00 0.00 177.00 176.50 3i04 h LEU 209 N 11.62 0.28 0.00 -3.56 3.38 -1.36 0.40 115.31 126.07 3i04 h LEU 209 Ca -0.24 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.38 3i04 h LEU 209 Cb 1.06 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3i04 h LEU 209 CO 1.16 1.29 0.00 0.61 0.09 0.00 0.00 178.44 181.59 3i04 n GLY 210 N 1.56 0.38 3.36 0.83 0.00 -1.26 -2.66 105.19 107.40 3i04 n GLY 210 Ca -0.11 -1.38 -0.18 0.00 0.00 0.00 0.00 46.02 44.35 3i04 n GLY 210 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i04 s ASN 211 N -4.00 2.28 1.79 1.61 0.02 -1.26 -0.60 114.94 114.78 3i04 s ASN 211 Ca 0.00 -1.16 0.00 0.00 -1.02 0.00 0.00 52.86 50.68 3i04 s ASN 211 Cb 0.00 -0.08 0.00 0.00 0.02 0.00 0.00 41.25 41.19 3i04 s ASN 211 CO 0.00 -0.38 0.00 0.33 0.02 0.00 0.00 177.10 177.07 3i04 n PHE 212 N -0.45 0.00 0.35 2.20 7.35 -1.26 -1.07 117.46 124.58 3i04 n PHE 212 Ca -0.06 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.76 3i04 n PHE 212 Cb 0.63 0.00 0.57 0.00 0.35 0.00 0.00 39.48 41.02 3i04 n PHE 212 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 3i04 h THR 213 N 0.00 0.00 0.00 -2.13 1.35 -1.98 -2.62 112.91 107.53 3i04 h THR 213 Ca 0.00 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 3i04 h THR 213 Cb 0.00 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.50 3i04 h THR 213 CO 0.00 0.00 0.04 1.56 -0.25 0.00 0.00 175.52 176.87 3i04 h GLN 214 N 0.00 0.00 -1.39 4.72 7.50 -1.45 -1.82 115.11 122.66 3i04 h GLN 214 Ca 0.00 0.00 0.41 0.00 0.50 0.00 0.00 58.65 59.56 3i04 h GLN 214 Cb 0.37 0.00 -0.08 0.00 0.05 0.00 0.00 27.48 27.82 3i04 h GLN 214 CO 0.00 0.00 0.97 0.97 -1.50 0.00 0.00 178.83 179.27 3i04 h ILE 215 N 0.00 0.25 0.00 2.54 6.09 -1.65 -0.50 117.51 124.24 3i04 h ILE 215 Ca 0.00 -0.03 0.00 0.00 -1.37 0.00 0.00 64.86 63.46 3i04 h ILE 215 Cb 0.09 0.16 0.00 0.00 0.47 0.00 0.00 36.82 37.54 3i04 h ILE 215 CO 0.00 0.01 0.00 1.62 -3.07 0.00 0.00 178.15 176.71 3i04 h VAL 216 N 0.08 0.00 0.00 2.19 3.04 -1.60 -1.90 116.25 118.06 3i04 h VAL 216 Ca 0.73 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 66.29 3i04 h VAL 216 Cb 2.60 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 32.72 3i04 h VAL 216 CO -0.16 0.00 0.00 1.41 -1.01 0.00 0.00 177.57 177.81 3i04 n HIS 217 N -2.50 0.16 0.11 3.17 8.25 -0.19 -0.64 115.22 123.58 3i04 n HIS 217 Ca -0.00 0.05 -0.23 0.00 -0.26 0.00 0.00 57.72 57.28 3i04 n HIS 217 Cb 0.13 -0.59 -0.14 0.00 1.12 0.00 0.00 29.99 30.51 3i04 n HIS 217 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i04 h ALA 218 N 2.70 -0.05 0.06 -1.41 0.00 -1.54 -3.27 119.26 115.76 3i04 h ALA 218 Ca 0.00 -0.81 -0.00 0.00 0.00 0.00 0.00 54.91 54.09 3i04 h ALA 218 Cb 0.42 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3i04 h ALA 218 CO 0.00 0.71 -0.03 0.00 0.00 0.00 0.00 179.25 179.93 3i04 h ALA 219 N 0.27 -0.09 0.00 0.00 0.00 -1.27 -2.16 119.26 116.01 3i04 h ALA 219 Ca -0.21 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 3i04 h ALA 219 Cb 2.01 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.83 3i04 h ALA 219 CO 0.25 -0.35 -0.09 -2.95 0.00 0.00 0.00 179.25 176.11 3i04 h ASN 220 N -0.49 0.00 0.43 0.00 7.08 -1.06 -2.21 115.58 119.34 3i04 h ASN 220 Ca -0.01 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.19 3i04 h ASN 220 Cb 0.42 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.67 3i04 h ASN 220 CO 0.01 0.09 -0.21 0.22 -2.08 0.00 0.00 177.43 175.47 3i04 h TYR 221 N 0.00 -0.54 -0.72 4.14 5.03 -1.57 -2.84 116.97 120.47 3i04 h TYR 221 Ca -0.00 -0.01 0.15 0.00 2.58 0.00 0.00 58.73 61.45 3i04 h TYR 221 Cb 0.33 0.18 -0.13 0.00 1.55 0.00 0.00 36.73 38.65 3i04 h TYR 221 CO 0.00 -0.34 -0.13 0.00 -1.32 0.00 0.00 178.16 176.37 3i04 h ALA 222 N -1.31 0.54 0.00 1.82 0.00 -1.33 -1.67 119.26 117.32 3i04 h ALA 222 Ca -0.06 0.27 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 3i04 h ALA 222 Cb 0.45 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3i04 h ALA 222 CO 0.10 -0.42 -0.35 -0.07 0.00 0.00 0.00 179.25 178.50 3i04 h LEU 223 N 0.02 0.00 -1.53 0.00 3.38 -1.49 -2.12 115.31 113.57 3i04 h LEU 223 Ca 0.36 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.28 3i04 h LEU 223 Cb 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3i04 h LEU 223 CO -0.72 0.35 -0.19 0.03 0.09 0.00 0.00 178.44 178.01 3i04 h ARG 224 N 0.00 0.06 -0.74 1.13 3.08 -1.04 -3.15 114.38 113.72 3i04 h ARG 224 Ca -0.00 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3i04 h ARG 224 Cb 0.72 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.72 3i04 h ARG 224 CO 0.05 0.25 0.41 0.00 -1.07 0.00 0.00 179.97 179.61 3i04 h ALA 225 N 1.75 1.33 -0.08 0.04 0.00 -1.34 0.35 119.26 121.31 3i04 h ALA 225 Ca 0.01 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 3i04 h ALA 225 Cb 0.37 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3i04 h ALA 225 CO 0.03 0.55 -0.64 0.78 0.00 0.00 0.00 179.25 179.97 3i04 h GLY 226 N 1.07 0.34 1.96 0.00 0.00 -1.68 -2.41 103.07 102.36 3i04 h GLY 226 Ca 0.26 -0.44 -0.19 0.00 0.00 0.00 0.00 47.33 46.97 3i04 h GLY 226 CO -0.04 0.39 -0.87 -0.33 0.00 0.00 0.00 176.54 175.69 3i04 h MET 227 N 0.23 0.03 0.00 4.80 2.07 -1.24 -0.77 114.93 120.05 3i04 h MET 227 Ca -0.01 -0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.58 3i04 h MET 227 Cb 1.17 0.01 0.00 0.00 -1.87 0.00 0.00 31.60 30.91 3i04 h MET 227 CO 0.10 0.88 0.00 -1.33 1.07 0.00 0.00 176.91 177.63 3i04 n MET 228 N -3.53 0.00 -0.28 1.72 2.81 0.11 -3.92 117.12 114.02 3i04 n MET 228 Ca -0.01 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 55.92 3i04 n MET 228 Cb 0.83 -0.04 0.18 0.00 -0.71 0.00 0.00 33.22 33.47 3i04 n MET 228 CO 0.00 0.00 0.00 0.74 1.51 0.00 0.00 175.97 178.22 3i04 h PHE 229 N 0.00 0.78 0.00 2.03 0.04 -1.64 -2.36 116.94 115.80 3i04 h PHE 229 Ca 0.00 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 3i04 h PHE 229 Cb 0.00 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 37.92 3i04 h PHE 229 CO 0.00 0.27 -0.02 0.78 -0.60 0.00 0.00 178.31 178.74 3i04 h GLY 230 N 0.70 0.00 -1.69 -1.45 0.00 -1.31 -3.35 103.07 95.97 3i04 h GLY 230 Ca 0.41 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 47.35 3i04 h GLY 230 CO -0.29 0.00 -0.40 0.61 0.00 0.00 0.00 176.54 176.46 3i04 n GLY 231 N -0.02 1.15 3.71 4.60 0.00 -0.89 -4.78 105.19 108.97 3i04 n GLY 231 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3i04 n GLY 231 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i04 s VAL 232 N -2.73 3.89 -0.05 1.61 1.01 -0.33 -4.93 120.40 118.87 3i04 s VAL 232 Ca 0.00 1.34 -0.35 0.00 0.00 0.00 0.00 61.98 62.97 3i04 s VAL 232 Cb 0.00 -3.86 -0.13 0.00 0.00 0.00 0.00 36.38 32.39 3i04 s VAL 232 CO 0.00 0.09 1.73 0.41 0.00 0.00 0.00 175.10 177.33 3i04 n THR 233 N 4.03 0.34 -1.66 3.92 -1.04 -1.26 -4.50 114.28 114.11 3i04 n THR 233 Ca 0.10 -0.06 -0.47 0.00 -2.04 0.00 0.00 64.05 61.57 3i04 n THR 233 Cb 0.45 -1.58 -0.05 0.00 -1.82 0.00 0.00 70.33 67.34 3i04 n THR 233 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3i04 n PRO 234 N 5.26 2.00 0.00 -2.82 -0.02 -1.26 -1.90 135.00 136.25 3i04 n PRO 234 Ca 0.22 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 3i04 n PRO 234 Cb 0.25 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 3i04 n PRO 234 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i04 n GLY 235 N 3.45 1.00 3.55 -1.23 0.00 0.51 -4.48 105.19 107.99 3i04 n GLY 235 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 3i04 n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i04 n ALA 236 N -1.78 3.63 -0.03 4.61 0.00 -0.80 -4.62 120.51 121.53 3i04 n ALA 236 Ca 0.00 -3.91 -0.09 0.00 0.00 0.00 0.00 53.44 49.44 3i04 n ALA 236 Cb 0.00 -3.53 -0.03 0.00 0.00 0.00 0.00 19.45 15.90 3i04 n ALA 236 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3i04 h ARG 237 N 7.47 -0.05 -0.55 0.00 2.43 -1.81 -1.05 114.38 120.83 3i04 h ARG 237 Ca 0.43 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.58 3i04 h ARG 237 Cb 0.87 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.40 3i04 h ARG 237 CO 1.44 -0.03 0.24 1.49 -1.51 0.00 0.00 179.97 181.59 3i04 h GLU 238 N -0.05 0.80 -0.98 0.20 4.57 -1.92 -1.18 114.58 116.02 3i04 h GLU 238 Ca 0.10 -0.13 0.03 0.00 -1.18 0.00 0.00 59.36 58.17 3i04 h GLU 238 Cb 0.20 -0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 28.60 3i04 h GLU 238 CO -0.22 0.68 0.64 0.93 -1.18 0.00 0.00 179.01 179.86 3i04 h GLU 239 N 0.74 1.24 -0.35 1.92 5.08 -1.90 -0.70 114.58 120.61 3i04 h GLU 239 Ca 0.18 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 3i04 h GLU 239 Cb 0.16 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3i04 h GLU 239 CO -0.02 0.82 0.09 1.96 -1.00 0.00 0.00 179.01 180.86 3i04 h GLN 240 N 1.27 0.56 -0.62 2.33 1.08 -0.92 -1.36 115.11 117.45 3i04 h GLN 240 Ca 0.38 -0.13 -0.07 0.00 -1.45 0.00 0.00 58.65 57.38 3i04 h GLN 240 Cb -0.06 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.27 3i04 h GLN 240 CO -0.10 0.60 0.11 0.00 -0.95 0.00 0.00 178.83 178.49 3i04 h ARG 241 N 0.41 1.00 -0.56 1.46 3.08 -0.92 -1.80 114.38 117.06 3i04 h ARG 241 Ca 0.11 -0.24 -0.06 0.00 0.07 0.00 0.00 59.98 59.86 3i04 h ARG 241 Cb 0.29 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3i04 h ARG 241 CO 0.00 0.91 0.13 0.22 -1.07 0.00 0.00 179.97 180.16 3i04 h ASP 242 N 0.94 0.85 -0.53 7.04 3.58 -0.97 -0.57 116.42 126.75 3i04 h ASP 242 Ca 0.19 -0.24 -0.05 0.00 0.42 0.00 0.00 57.03 57.35 3i04 h ASP 242 Cb 0.39 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 3i04 h ASP 242 CO 0.01 0.87 0.12 0.22 -2.88 0.00 0.00 179.24 177.58 3i04 h TYR 243 N 0.79 0.90 -0.16 0.28 5.03 -0.92 -1.64 116.97 121.26 3i04 h TYR 243 Ca 0.17 -0.11 0.01 0.00 2.58 0.00 0.00 58.73 61.38 3i04 h TYR 243 Cb 0.35 -0.25 -0.01 0.00 1.55 0.00 0.00 36.73 38.37 3i04 h TYR 243 CO 0.02 0.79 0.09 1.96 -1.32 0.00 0.00 178.16 179.71 3i04 h GLN 244 N 0.75 0.18 -0.49 1.82 1.08 -0.96 -1.05 115.11 116.45 3i04 h GLN 244 Ca 0.17 -0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.39 3i04 h GLN 244 Cb 0.35 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.70 3i04 h GLN 244 CO 0.00 0.12 0.26 -0.09 -0.95 0.00 0.00 178.83 178.18 3i04 h ARG 245 N 0.19 0.51 -0.26 1.46 9.65 -0.97 -0.04 114.38 124.92 3i04 h ARG 245 Ca 0.06 -0.03 -0.18 0.00 -1.10 0.00 0.00 59.98 58.73 3i04 h ARG 245 Cb -0.00 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.46 3i04 h ARG 245 CO -0.03 0.34 -0.53 0.00 2.80 0.00 0.00 179.97 182.54 3i04 h ARG 246 N 0.52 0.82 0.00 0.20 3.08 -1.21 -3.41 114.38 114.38 3i04 h ARG 246 Ca 0.21 -0.53 -0.08 0.00 0.07 0.00 0.00 59.98 59.65 3i04 h ARG 246 Cb 0.09 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3i04 h ARG 246 CO -0.13 1.16 -1.38 0.54 -1.07 0.00 0.00 179.97 179.10 3i04 n ARG 247 N -4.06 2.11 -3.34 0.04 5.12 -0.40 -4.85 116.66 111.28 3i04 n ARG 247 Ca -0.05 -0.02 -0.47 0.00 -1.93 0.00 0.00 57.85 55.38 3i04 n ARG 247 Cb 0.62 -1.16 -0.02 0.00 -1.16 0.00 0.00 32.46 30.74 3i04 n ARG 247 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3i04 s ILE 248 N -2.25 5.54 -1.52 0.55 -1.09 -0.03 -4.95 121.20 117.44 3i04 s ILE 248 Ca -0.03 -2.44 -0.10 0.00 -2.23 0.00 0.00 60.65 55.85 3i04 s ILE 248 Cb 0.03 -4.43 -0.01 0.00 -1.58 0.00 0.00 42.46 36.46 3i04 s ILE 248 CO 0.26 -1.02 2.63 0.54 -1.23 0.00 0.00 174.94 176.12 3i04 n ARG 249 N 4.02 3.61 -4.03 2.79 3.00 -1.26 -4.66 116.66 120.13 3i04 n ARG 249 Ca 0.12 -2.56 -0.33 0.00 -0.01 0.00 0.00 57.85 55.08 3i04 n ARG 249 Cb 0.46 -2.91 -0.06 0.00 0.00 0.00 0.00 32.46 29.95 3i04 n ARG 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i04 s ALA 250 N 1.86 3.71 0.09 7.54 0.00 -1.26 -0.63 121.76 133.08 3i04 s ALA 250 Ca 0.60 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.71 3i04 s ALA 250 Cb 0.17 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.58 3i04 s ALA 250 CO -0.07 0.72 -0.04 -0.59 0.00 0.00 0.00 175.76 175.79 3i04 s PHE 251 N -1.28 0.81 -0.16 0.00 -0.12 -0.77 -4.27 117.98 112.21 3i04 s PHE 251 Ca 0.26 -0.99 -0.05 0.00 -0.05 0.00 0.00 56.93 56.09 3i04 s PHE 251 Cb -0.12 -0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 41.74 3i04 s PHE 251 CO 0.17 -0.25 0.02 0.08 -0.05 0.00 0.00 175.22 175.20 3i04 s VAL 252 N -3.74 4.46 -0.43 -2.49 1.01 -0.24 -1.27 120.40 117.70 3i04 s VAL 252 Ca 0.12 -0.16 -0.13 0.00 0.00 0.00 0.00 61.98 61.81 3i04 s VAL 252 Cb 0.06 -2.97 0.06 0.00 0.00 0.00 0.00 36.38 33.53 3i04 s VAL 252 CO -0.05 0.50 0.31 -0.76 0.00 0.00 0.00 175.10 175.10 3i04 s LEU 253 N 0.12 5.26 -0.53 3.92 1.43 0.97 -0.87 118.68 128.98 3i04 s LEU 253 Ca 0.03 -1.25 -0.16 0.00 -1.03 0.00 0.00 54.13 51.71 3i04 s LEU 253 Cb -0.13 -2.10 0.12 0.00 0.03 0.00 0.00 46.19 44.11 3i04 s LEU 253 CO 0.01 -0.54 0.50 -0.47 0.23 0.00 0.00 176.35 176.09 3i04 s TYR 254 N 1.57 3.22 -0.09 0.29 5.04 0.16 -0.86 117.35 126.68 3i04 s TYR 254 Ca 0.03 -1.17 0.00 0.00 -2.44 0.00 0.00 57.07 53.49 3i04 s TYR 254 Cb -0.22 -3.70 -0.03 0.00 0.35 0.00 0.00 41.96 38.36 3i04 s TYR 254 CO 0.06 -1.01 -0.09 -0.51 -1.34 0.00 0.00 175.55 172.67 3i04 s LEU 255 N 1.74 3.04 0.00 6.97 1.43 -0.02 -2.68 118.68 129.16 3i04 s LEU 255 Ca 0.04 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 3i04 s LEU 255 Cb -0.28 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.27 3i04 s LEU 255 CO 0.04 0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.52 3i04 n GLY 256 N 2.72 -2.87 3.66 -3.19 0.00 -1.04 -0.93 105.19 103.54 3i04 n GLY 256 Ca -0.18 -1.81 -0.48 0.00 0.00 0.00 0.00 46.02 43.55 3i04 n GLY 256 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i04 n GLU 257 N -0.33 1.87 -2.44 1.61 2.13 -1.26 -4.77 120.64 117.46 3i04 n GLU 257 Ca 0.00 0.68 -0.34 0.00 0.66 0.00 0.00 57.16 58.16 3i04 n GLU 257 Cb 0.00 -2.43 -0.03 0.00 0.27 0.00 0.00 31.44 29.26 3i04 n GLU 257 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 3i04 s HIS 258 N 1.53 3.03 0.10 4.31 3.76 -1.26 -4.97 115.29 121.79 3i04 s HIS 258 Ca 0.84 1.56 0.01 0.00 -0.15 0.00 0.00 55.06 57.32 3i04 s HIS 258 Cb -0.77 -3.03 -0.04 0.00 1.11 0.00 0.00 32.58 29.85 3i04 s HIS 258 CO 0.44 -0.84 -0.05 0.16 -0.85 0.00 0.00 174.74 173.61 3i04 s ASP 259 N -2.21 0.98 0.32 1.40 -4.77 -1.26 -5.07 116.67 106.05 3i04 s ASP 259 Ca 0.66 -1.03 0.06 0.00 -3.30 0.00 0.00 52.55 48.93 3i04 s ASP 259 Cb -0.16 0.13 0.53 0.00 -1.09 0.00 0.00 42.92 42.33 3i04 s ASP 259 CO 0.24 -0.52 1.77 0.00 0.70 0.00 0.00 175.17 177.36 3i04 h MET 260 N 2.97 0.34 -0.19 2.11 -0.00 -1.97 -0.95 114.93 117.23 3i04 h MET 260 Ca -0.35 -0.12 -0.14 0.00 -0.00 0.00 0.00 59.70 59.08 3i04 h MET 260 Cb 1.17 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 32.74 3i04 h MET 260 CO 0.64 0.58 -0.44 0.28 -0.00 0.00 0.00 176.91 177.97 3i04 h VAL 261 N 0.31 1.32 -0.83 -0.10 2.07 -1.88 -1.16 116.25 115.99 3i04 h VAL 261 Ca 0.05 -1.68 -0.03 0.00 0.82 0.00 0.00 66.70 65.86 3i04 h VAL 261 Cb 0.62 1.89 -0.04 0.00 -1.52 0.00 0.00 31.29 32.24 3i04 h VAL 261 CO 0.04 0.52 0.41 0.50 0.02 0.00 0.00 177.57 179.07 3i04 h LYS 262 N 0.33 1.18 -0.05 1.57 3.64 -1.89 0.04 116.57 121.38 3i04 h LYS 262 Ca -0.00 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.21 3i04 h LYS 262 Cb 1.05 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.65 3i04 h LYS 262 CO 0.10 0.89 0.01 1.15 -2.27 0.00 0.00 179.45 179.33 3i04 h THR 263 N 1.16 1.21 -0.61 1.00 2.02 -1.17 -0.57 112.91 115.97 3i04 h THR 263 Ca 0.29 -0.65 0.12 0.00 0.77 0.00 0.00 66.41 66.94 3i04 h THR 263 Cb 0.09 1.56 -0.10 0.00 -1.74 0.00 0.00 68.15 67.96 3i04 h THR 263 CO -0.04 0.18 0.04 0.00 0.37 0.00 0.00 175.52 176.07 3i04 h ALA 264 N 0.76 0.64 -0.74 6.16 0.00 -1.11 -1.37 119.26 123.60 3i04 h ALA 264 Ca 0.02 0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.15 3i04 h ALA 264 Cb 0.28 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 3i04 h ALA 264 CO 0.00 -0.37 0.44 0.00 0.00 0.00 0.00 179.25 179.32 3i04 h ALA 265 N 1.53 1.00 -0.67 0.00 0.00 -0.77 -2.03 119.26 118.33 3i04 h ALA 265 Ca 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 3i04 h ALA 265 Cb 0.51 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3i04 h ALA 265 CO -0.49 0.16 0.36 0.00 0.00 0.00 0.00 179.25 179.29 3i04 h ALA 266 N 1.36 1.37 0.00 0.00 0.00 -0.62 -0.59 119.26 120.79 3i04 h ALA 266 Ca 0.32 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3i04 h ALA 266 Cb 0.15 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3i04 h ALA 266 CO -0.16 0.51 0.00 0.74 0.00 0.00 0.00 179.25 180.34 3i04 h PHE 267 N 0.94 0.00 -0.61 0.00 0.04 -0.58 -1.46 116.94 115.27 3i04 h PHE 267 Ca 0.24 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.91 3i04 h PHE 267 Cb 0.03 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.16 3i04 h PHE 267 CO 0.01 0.00 0.02 0.78 -0.60 0.00 0.00 178.31 178.52 3i04 h GLY 268 N 2.21 1.15 0.94 -1.45 0.00 -0.51 -1.21 103.07 104.19 3i04 h GLY 268 Ca 0.00 -0.83 -0.05 0.00 0.00 0.00 0.00 47.33 46.45 3i04 h GLY 268 CO 0.00 0.77 0.07 0.00 0.00 0.00 0.00 176.54 177.38 3i04 h ALA 269 N 0.99 0.53 -0.23 3.60 0.00 -1.11 -2.85 119.26 120.19 3i04 h ALA 269 Ca 0.18 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.92 3i04 h ALA 269 Cb 0.54 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3i04 h ALA 269 CO 0.03 0.24 -0.04 0.82 0.00 0.00 0.00 179.25 180.29 3i04 h ILE 270 N 0.51 0.79 -1.12 0.00 2.04 -1.11 -1.42 117.51 117.19 3i04 h ILE 270 Ca 0.12 -0.01 0.33 0.00 1.00 0.00 0.00 64.86 66.31 3i04 h ILE 270 Cb 0.36 0.77 -0.12 0.00 -0.74 0.00 0.00 36.82 37.09 3i04 h ILE 270 CO 0.01 0.00 0.71 0.15 0.00 0.00 0.00 178.15 179.02 3i04 h PHE 271 N 0.02 0.68 -0.06 1.37 3.57 -1.12 0.66 116.94 122.07 3i04 h PHE 271 Ca 0.11 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.64 3i04 h PHE 271 Cb 0.16 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.72 3i04 h PHE 271 CO -0.23 -0.08 0.00 2.41 -2.23 0.00 0.00 178.31 178.19 3i04 n THR 272 N -4.75 0.05 -0.51 4.41 -1.04 -0.68 -4.95 114.28 106.82 3i04 n THR 272 Ca 0.31 -0.34 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 3i04 n THR 272 Cb 1.08 0.72 0.00 0.00 -1.82 0.00 0.00 70.33 70.31 3i04 n THR 272 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i04 n GLY 273 N 1.22 0.90 3.44 3.41 0.00 0.23 -3.94 105.19 110.45 3i04 n GLY 273 Ca 0.18 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 3i04 n GLY 273 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i04 s PHE 274 N -2.00 3.02 0.60 1.61 0.08 -0.62 -4.83 117.98 115.84 3i04 s PHE 274 Ca 0.00 -0.48 -0.17 0.00 0.12 0.00 0.00 56.93 56.41 3i04 s PHE 274 Cb 0.00 -2.06 -0.03 0.00 -0.57 0.00 0.00 43.02 40.36 3i04 s PHE 274 CO 0.00 -0.23 1.09 -1.25 -0.10 0.00 0.00 175.22 174.73 3i04 s PRO 275 N 0.91 3.16 -0.16 0.24 0.04 -1.26 -2.72 135.00 135.22 3i04 s PRO 275 Ca 0.01 1.37 0.01 0.00 0.04 0.00 0.00 61.00 62.43 3i04 s PRO 275 Cb -0.14 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.40 3i04 s PRO 275 CO 0.02 -0.96 -0.18 0.08 0.04 0.00 0.00 177.00 175.99 3i04 s VAL 276 N -2.23 2.31 -0.13 -0.36 1.01 0.77 -1.08 120.40 120.70 3i04 s VAL 276 Ca 0.67 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.79 3i04 s VAL 276 Cb -0.19 -1.96 -0.00 0.00 0.00 0.00 0.00 36.38 34.22 3i04 s VAL 276 CO 0.35 0.53 -0.19 -0.63 0.00 0.00 0.00 175.10 175.16 3i04 s ILE 277 N 0.97 2.40 0.07 2.22 1.09 -0.05 -1.61 121.20 126.29 3i04 s ILE 277 Ca -0.03 -0.88 0.07 0.00 -1.10 0.00 0.00 60.65 58.71 3i04 s ILE 277 Cb -0.15 -1.97 -0.04 0.00 -1.06 0.00 0.00 42.46 39.25 3i04 s ILE 277 CO -0.04 0.54 -0.16 0.28 -0.10 0.00 0.00 174.94 175.46 3i04 s THR 278 N 0.55 2.97 -1.59 2.92 -1.32 0.25 -0.67 115.64 118.76 3i04 s THR 278 Ca -0.12 -1.26 0.31 0.00 -1.21 0.00 0.00 61.69 59.41 3i04 s THR 278 Cb -0.16 -2.31 0.63 0.00 -1.51 0.00 0.00 72.50 69.14 3i04 s THR 278 CO 0.04 0.23 2.10 -0.90 -2.21 0.00 0.00 174.62 173.88 3i04 n ASP 279 N 1.18 0.00 -4.78 8.08 5.75 -1.09 -0.94 116.55 124.75 3i04 n ASP 279 Ca -0.15 -0.38 -0.39 0.00 -0.01 0.00 0.00 54.79 53.86 3i04 n ASP 279 Cb 0.52 -0.21 -0.06 0.00 -1.03 0.00 0.00 41.12 40.35 3i04 n ASP 279 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3i04 s GLN 280 N -2.41 4.58 0.33 0.11 -1.52 -1.26 -4.47 119.66 115.02 3i04 s GLN 280 Ca 0.34 1.21 -0.29 0.00 -1.95 0.00 0.00 55.36 54.67 3i04 s GLN 280 Cb 0.21 -3.14 -0.10 0.00 -0.22 0.00 0.00 33.01 29.75 3i04 s GLN 280 CO 0.43 0.49 1.33 -1.25 -0.25 0.00 0.00 175.29 176.04 3i04 s PRO 281 N -1.41 4.33 -0.05 2.91 0.04 -1.26 -4.62 135.00 134.94 3i04 s PRO 281 Ca 0.40 2.25 0.04 0.00 0.04 0.00 0.00 61.00 63.72 3i04 s PRO 281 Cb -0.22 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.25 3i04 s PRO 281 CO 0.26 -0.23 -0.16 -0.51 0.04 0.00 0.00 177.00 176.41 3i04 s LEU 282 N -1.73 1.86 0.96 -3.56 1.43 -1.26 -5.08 118.68 111.30 3i04 s LEU 282 Ca 0.50 -0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 53.15 3i04 s LEU 282 Cb -0.40 -0.93 0.17 0.00 0.03 0.00 0.00 46.19 45.05 3i04 s LEU 282 CO 0.53 0.12 1.10 -2.84 0.23 0.00 0.00 176.35 175.49 3i04 s PRO 283 N 0.19 0.73 0.24 1.29 0.02 -1.26 -4.91 135.00 131.31 3i04 s PRO 283 Ca -0.07 1.16 -0.04 0.00 0.02 0.00 0.00 61.00 62.06 3i04 s PRO 283 Cb -0.12 -1.72 0.46 0.00 0.02 0.00 0.00 34.50 33.13 3i04 s PRO 283 CO 0.03 -2.70 1.72 0.93 -0.33 0.00 0.00 177.00 176.65 3i04 h GLU 284 N -1.90 0.39 -0.05 5.54 5.08 -2.00 -1.60 114.58 120.04 3i04 h GLU 284 Ca -0.49 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 3i04 h GLU 284 Cb 1.28 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3i04 h GLU 284 CO 0.48 0.26 0.00 -0.40 -1.00 0.00 0.00 179.01 178.35 3i04 n ASP 285 N -5.04 0.28 -0.62 1.42 3.85 -1.26 -3.40 116.55 111.78 3i04 n ASP 285 Ca 0.14 -1.98 0.06 0.00 -0.71 0.00 0.00 54.79 52.31 3i04 n ASP 285 Cb 0.42 -0.03 0.14 0.00 -1.35 0.00 0.00 41.12 40.30 3i04 n ASP 285 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3i04 n LYS 286 N -0.36 1.09 -4.00 0.11 5.02 -0.60 -3.11 118.16 116.31 3i04 n LYS 286 Ca 0.02 -2.69 -0.08 0.00 -2.02 0.00 0.00 58.31 53.54 3i04 n LYS 286 Cb 0.05 -1.20 -0.10 0.00 -0.02 0.00 0.00 35.03 33.76 3i04 n LYS 286 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3i04 s GLN 287 N -2.28 0.51 -0.18 1.97 1.03 -1.22 -4.83 119.66 114.67 3i04 s GLN 287 Ca 0.32 -0.86 -0.01 0.00 0.04 0.00 0.00 55.36 54.86 3i04 s GLN 287 Cb 0.32 0.19 0.05 0.00 0.03 0.00 0.00 33.01 33.59 3i04 s GLN 287 CO -0.06 -0.11 -0.03 0.42 -2.54 0.00 0.00 175.29 172.97 3i04 s ILE 288 N -2.67 1.03 0.15 3.63 1.01 -0.13 -4.65 121.20 119.57 3i04 s ILE 288 Ca -0.05 -0.67 -0.34 0.00 0.00 0.00 0.00 60.65 59.60 3i04 s ILE 288 Cb -0.01 -1.28 -0.16 0.00 0.01 0.00 0.00 42.46 41.02 3i04 s ILE 288 CO -0.05 0.04 1.29 -2.65 0.00 0.00 0.00 174.94 173.57 3i04 n PRO 289 N 4.89 1.34 0.00 2.79 -0.02 -1.26 -1.36 135.00 141.38 3i04 n PRO 289 Ca -0.11 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 3i04 n PRO 289 Cb 0.47 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 3i04 n PRO 289 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3i04 n ASP 290 N 2.33 0.00 0.00 2.55 8.00 -1.26 -4.68 116.55 123.49 3i04 n ASP 290 Ca 0.16 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.66 3i04 n ASP 290 Cb 0.24 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 3i04 n ASP 290 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3i04 n TRP 291 N -1.97 0.00 -3.33 1.24 7.02 -0.71 -4.69 117.44 115.00 3i04 n TRP 291 Ca 0.00 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.34 3i04 n TRP 291 Cb 0.00 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 28.83 3i04 n TRP 291 CO 0.00 0.00 0.00 0.12 -2.02 0.00 0.00 177.69 175.79 3i04 s PHE 292 N -1.90 -0.57 0.16 -5.99 2.19 -0.46 -0.16 117.98 111.24 3i04 s PHE 292 Ca 0.00 -0.58 -0.10 0.00 0.33 0.00 0.00 56.93 56.58 3i04 s PHE 292 Cb 0.00 -0.28 -0.00 0.00 -1.31 0.00 0.00 43.02 41.43 3i04 s PHE 292 CO 0.00 -1.00 0.30 -0.59 1.83 0.00 0.00 175.22 175.76 3i04 s PHE 293 N 1.57 0.30 -0.13 10.12 -0.12 -0.63 -0.96 117.98 128.12 3i04 s PHE 293 Ca 0.16 -0.67 -0.18 0.00 -0.05 0.00 0.00 56.93 56.20 3i04 s PHE 293 Cb -0.13 -0.00 -0.04 0.00 -0.63 0.00 0.00 43.02 42.21 3i04 s PHE 293 CO -0.06 -0.72 0.45 0.45 -0.05 0.00 0.00 175.22 175.29 3i04 s SER 294 N -2.94 6.63 -0.27 1.98 0.15 -1.26 -0.58 113.70 117.41 3i04 s SER 294 Ca 0.15 0.75 -0.00 0.00 0.70 0.00 0.00 55.95 57.55 3i04 s SER 294 Cb 0.03 -2.27 0.08 0.00 -1.71 0.00 0.00 66.02 62.15 3i04 s SER 294 CO -0.02 -0.00 0.04 -0.69 1.20 0.00 0.00 173.24 173.77 3i04 s VAL 295 N 0.70 1.17 -0.14 4.45 1.01 -0.11 -4.91 120.40 122.57 3i04 s VAL 295 Ca 0.24 -1.31 0.16 0.00 0.00 0.00 0.00 61.98 61.06 3i04 s VAL 295 Cb -0.15 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 3i04 s VAL 295 CO 0.09 -0.42 1.21 -0.33 0.00 0.00 0.00 175.10 175.65 3i04 h GLU 296 N 8.02 0.00 -6.51 2.72 5.08 -1.78 -3.36 114.58 118.75 3i04 h GLU 296 Ca -0.14 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.65 3i04 h GLU 296 Cb 1.05 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.25 3i04 h GLU 296 CO 0.44 0.43 1.01 0.34 -1.00 0.00 0.00 179.01 180.22 3i04 s ASP 297 N -6.20 6.51 0.52 1.42 -1.08 -1.26 -4.91 116.67 111.67 3i04 s ASP 297 Ca 0.01 0.86 0.25 0.00 -0.52 0.00 0.00 52.55 53.15 3i04 s ASP 297 Cb 0.08 -2.54 1.41 0.00 -1.46 0.00 0.00 42.92 40.41 3i04 s ASP 297 CO 0.77 -1.28 2.09 1.88 0.52 0.00 0.00 175.17 179.15 3i04 h TYR 298 N 9.93 0.00 0.00 -5.34 -1.99 -1.99 -2.08 116.97 115.49 3i04 h TYR 298 Ca -0.26 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.47 3i04 h TYR 298 Cb 1.09 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.82 3i04 h TYR 298 CO 0.94 0.11 0.00 -0.25 -0.00 0.00 0.00 178.16 178.97 3i04 n ASP 299 N -3.85 0.57 -0.03 3.88 10.43 -1.26 -3.23 116.55 123.06 3i04 n ASP 299 Ca -0.02 0.60 0.08 0.00 2.57 0.00 0.00 54.79 58.01 3i04 n ASP 299 Cb 0.21 -0.74 -0.09 0.00 1.84 0.00 0.00 41.12 42.35 3i04 n ASP 299 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3i04 n LYS 300 N -2.08 1.59 0.22 -1.24 5.02 -0.80 -4.79 118.16 116.07 3i04 n LYS 300 Ca 0.04 -0.07 -0.15 0.00 -2.02 0.00 0.00 58.31 56.11 3i04 n LYS 300 Cb 0.31 -1.28 -0.08 0.00 -0.02 0.00 0.00 35.03 33.96 3i04 n LYS 300 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3i04 h ILE 301 N 0.16 0.60 -0.22 -0.18 2.04 -1.49 -1.22 117.51 117.20 3i04 h ILE 301 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 3i04 h ILE 301 Cb 0.40 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 3i04 h ILE 301 CO 0.00 0.00 0.04 0.58 0.00 0.00 0.00 178.15 178.77 3i04 h VAL 302 N -0.52 0.90 -0.62 1.67 2.07 -1.87 0.45 116.25 118.33 3i04 h VAL 302 Ca -0.05 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 3i04 h VAL 302 Cb 0.41 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 3i04 h VAL 302 CO 0.06 0.02 0.29 -0.61 0.02 0.00 0.00 177.57 177.36 3i04 h GLN 303 N 0.12 0.91 -0.37 1.57 4.15 -1.85 -1.48 115.11 118.16 3i04 h GLN 303 Ca 0.10 -0.14 -0.16 0.00 0.77 0.00 0.00 58.65 59.22 3i04 h GLN 303 Cb 0.10 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 3i04 h GLN 303 CO -0.13 0.74 -0.38 0.82 -1.93 0.00 0.00 178.83 177.94 3i04 h ILE 304 N 0.86 1.27 -0.14 2.39 2.04 -1.01 -1.00 117.51 121.92 3i04 h ILE 304 Ca 0.21 -1.55 0.04 0.00 1.00 0.00 0.00 64.86 64.56 3i04 h ILE 304 Cb 0.14 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 3i04 h ILE 304 CO -0.02 0.52 -0.09 0.00 0.00 0.00 0.00 178.15 178.55 3i04 h ALA 305 N 0.76 0.03 -0.53 1.87 0.00 -0.66 0.95 119.26 121.68 3i04 h ALA 305 Ca 0.06 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3i04 h ALA 305 Cb 0.97 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 3i04 h ALA 305 CO 0.09 -0.54 0.32 0.52 0.00 0.00 0.00 179.25 179.65 3i04 h MET 306 N -0.09 0.63 -0.34 0.00 2.86 -1.16 0.83 114.93 117.65 3i04 h MET 306 Ca 0.08 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 3i04 h MET 306 Cb 0.21 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 3i04 h MET 306 CO -0.20 0.42 0.16 0.93 1.06 0.00 0.00 176.91 179.28 3i04 h GLU 307 N 0.65 0.50 -0.67 1.72 5.08 -1.01 0.29 114.58 121.14 3i04 h GLU 307 Ca 0.21 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3i04 h GLU 307 Cb -0.00 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 3i04 h GLU 307 CO -0.08 0.45 0.41 1.15 -1.00 0.00 0.00 179.01 179.94 3i04 h THR 308 N 0.42 1.19 0.00 1.13 2.02 -0.43 -2.97 112.91 114.26 3i04 h THR 308 Ca 0.12 -0.41 -0.10 0.00 0.77 0.00 0.00 66.41 66.78 3i04 h THR 308 Cb 0.12 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 3i04 h THR 308 CO -0.01 0.20 -0.48 -0.09 0.37 0.00 0.00 175.52 175.50 3i04 h ARG 309 N 0.91 0.00 0.00 6.66 9.65 -0.67 -3.47 114.38 127.45 3i04 h ARG 309 Ca 0.24 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.12 3i04 h ARG 309 Cb -0.04 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.54 3i04 h ARG 309 CO -0.05 0.48 0.00 0.41 2.80 0.00 0.00 179.97 183.62 3i04 n GLY 310 N 0.18 1.33 3.60 2.80 0.00 -0.16 -5.04 105.19 107.90 3i04 n GLY 310 Ca -0.01 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 3i04 n GLY 310 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i04 s ILE 311 N -2.00 4.88 -0.12 -0.61 1.01 -0.09 -5.03 121.20 119.24 3i04 s ILE 311 Ca 0.00 0.99 -0.01 0.00 0.00 0.00 0.00 60.65 61.63 3i04 s ILE 311 Cb 0.00 -4.06 -0.02 0.00 0.01 0.00 0.00 42.46 38.39 3i04 s ILE 311 CO 0.00 -0.18 -0.09 -0.54 0.00 0.00 0.00 174.94 174.13 3i04 s LYS 312 N 2.75 3.33 -0.07 2.79 1.02 -1.26 -4.53 119.74 123.76 3i04 s LYS 312 Ca 0.28 -0.60 -0.03 0.00 0.02 0.00 0.00 55.97 55.64 3i04 s LYS 312 Cb -0.15 -2.71 0.04 0.00 -0.52 0.00 0.00 37.83 34.49 3i04 s LYS 312 CO 0.12 0.33 0.15 -0.48 -0.92 0.00 0.00 175.35 174.54 3i04 s LEU 313 N 0.09 0.48 -0.19 3.17 0.05 -1.26 -4.98 118.68 116.03 3i04 s LEU 313 Ca -0.03 0.30 -0.14 0.00 0.05 0.00 0.00 54.13 54.31 3i04 s LEU 313 Cb -0.14 0.32 -0.08 0.00 -2.05 0.00 0.00 46.19 44.23 3i04 s LEU 313 CO 0.04 -0.18 -0.31 0.35 -0.55 0.00 0.00 176.35 175.70 3i04 n THR 314 N 4.56 1.40 0.00 5.48 -2.24 -1.26 -5.02 114.28 117.20 3i04 n THR 314 Ca -0.20 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 3i04 n THR 314 Cb 0.51 -2.03 0.00 0.00 -2.10 0.00 0.00 70.33 66.71 3i04 n THR 314 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3i04 n LYS 315 N -4.21 0.00 -1.14 -0.78 0.00 -1.26 -4.20 118.16 106.57 3i04 n LYS 315 Ca -0.31 0.00 -0.39 0.00 0.00 0.00 0.00 58.31 57.61 3i04 n LYS 315 Cb 0.65 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.66 3i04 n LYS 315 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 3i04 n ILE 316 N 0.00 1.62 -2.92 3.15 -6.64 -1.26 -4.97 119.36 108.34 3i04 n ILE 316 Ca 0.00 -0.41 -0.37 0.00 -1.77 0.00 0.00 62.75 60.20 3i04 n ILE 316 Cb 0.00 0.00 -0.06 0.00 -1.44 0.00 0.00 39.64 38.14 3i04 n ILE 316 CO 0.00 0.00 0.00 -0.75 -1.77 0.00 0.00 176.55 174.03 3i04 s LYS 317 N -0.82 4.49 0.80 6.28 2.20 -1.26 -5.09 119.74 126.35 3i04 s LYS 317 Ca 0.52 1.15 -0.12 0.00 -0.36 0.00 0.00 55.97 57.17 3i04 s LYS 317 Cb -0.76 -2.94 0.07 0.00 -1.51 0.00 0.00 37.83 32.70 3i04 s LYS 317 CO 0.46 0.38 1.14 -0.51 -0.36 0.00 0.00 175.35 176.46 3i04 s LEU 318 N -1.82 2.51 -0.63 5.43 2.01 -1.26 -5.05 118.68 119.88 3i04 s LEU 318 Ca 0.45 1.00 0.05 0.00 0.01 0.00 0.00 54.13 55.63 3i04 s LEU 318 Cb -0.19 -3.55 0.16 0.00 0.01 0.00 0.00 46.19 42.62 3i04 s LEU 318 CO 0.24 -1.92 0.42 -0.62 1.01 0.00 0.00 176.35 175.48 3i04 s ASP 319 N -4.29 4.37 0.26 2.29 -1.08 -1.26 -5.09 116.67 111.88 3i04 s ASP 319 Ca 0.61 -3.54 0.06 0.00 -0.52 0.00 0.00 52.55 49.16 3i04 s ASP 319 Cb -0.12 -1.50 -0.06 0.00 -1.46 0.00 0.00 42.92 39.78 3i04 s ASP 319 CO 0.52 -0.13 -0.04 -0.76 0.52 0.00 0.00 175.17 175.27 3i04 s LEU 320 N -0.98 2.41 0.20 -1.34 1.43 -1.26 -5.04 118.68 114.10 3i04 s LEU 320 Ca 0.23 -1.19 0.23 0.00 -1.03 0.00 0.00 54.13 52.37 3i04 s LEU 320 Cb -0.10 -0.53 0.91 0.00 0.03 0.00 0.00 46.19 46.50 3i04 s LEU 320 CO -0.12 -0.39 1.71 -0.81 0.23 0.00 0.00 176.35 176.97 3i04 n PRO 321 N -0.53 0.18 -4.44 1.29 -0.04 -1.26 -4.84 135.00 125.35 3i04 n PRO 321 Ca -0.05 0.32 -0.24 0.00 -0.04 0.00 0.00 63.50 63.49 3i04 n PRO 321 Cb 0.63 -1.79 -0.10 0.00 -0.04 0.00 0.00 33.50 32.21 3i04 n PRO 321 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3i04 s ILE 322 N -3.20 2.65 0.63 0.52 -4.36 -1.26 -4.73 121.20 111.45 3i04 s ILE 322 Ca 0.07 -2.32 -0.12 0.00 -0.26 0.00 0.00 60.65 58.02 3i04 s ILE 322 Cb 0.11 -2.39 -0.03 0.00 1.25 0.00 0.00 42.46 41.39 3i04 s ILE 322 CO 0.44 -0.40 1.04 0.21 0.24 0.00 0.00 174.94 176.47 3i04 s ASN 323 N -3.54 5.98 -0.16 4.36 2.47 -1.26 -4.90 114.94 117.89 3i04 s ASN 323 Ca 0.30 1.52 -0.08 0.00 0.42 0.00 0.00 52.86 55.02 3i04 s ASN 323 Cb -0.05 -2.49 0.06 0.00 -1.45 0.00 0.00 41.25 37.32 3i04 s ASN 323 CO 0.16 -1.04 0.38 0.12 -3.72 0.00 0.00 177.10 173.01 3i04 s PHE 324 N -3.03 -0.58 0.00 0.43 5.36 -1.26 -0.54 117.98 118.36 3i04 s PHE 324 Ca 0.57 1.24 0.00 0.00 -0.96 0.00 0.00 56.93 57.78 3i04 s PHE 324 Cb -0.12 0.23 0.00 0.00 -0.34 0.00 0.00 43.02 42.79 3i04 s PHE 324 CO 0.51 -0.35 0.00 0.41 -1.46 0.00 0.00 175.22 174.33 3i04 n GLY 325 N 4.43 0.88 0.32 13.12 0.00 0.64 -4.46 105.19 120.12 3i04 n GLY 325 Ca -0.21 -1.01 0.17 0.00 0.00 0.00 0.00 46.02 44.97 3i04 n GLY 325 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i04 h PRO 326 N 0.00 0.00 -0.59 1.61 0.13 -1.84 -2.39 132.00 128.92 3i04 h PRO 326 Ca 0.00 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.23 3i04 h PRO 326 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 3i04 h PRO 326 CO 0.00 0.00 0.40 0.00 -0.23 0.00 0.00 178.00 178.17 3i04 h ALA 327 N 1.91 2.04 -0.00 -0.56 0.00 -1.81 -2.02 119.26 118.83 3i04 h ALA 327 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3i04 h ALA 327 Cb 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3i04 h ALA 327 CO -0.00 -0.18 -0.48 1.19 0.00 0.00 0.00 179.25 179.77 3i04 n PHE 328 N -4.47 0.00 -0.33 0.00 3.01 -0.90 -4.12 117.46 110.66 3i04 n PHE 328 Ca 0.10 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.52 3i04 n PHE 328 Cb 0.39 -0.23 0.09 0.00 -0.01 0.00 0.00 39.48 39.71 3i04 n PHE 328 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 3i04 h GLU 329 N 0.13 1.18 -0.08 -1.08 4.81 -1.25 -2.44 114.58 115.85 3i04 h GLU 329 Ca 0.00 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3i04 h GLU 329 Cb 0.50 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.62 3i04 h GLU 329 CO 0.00 0.80 0.00 0.41 -0.73 0.00 0.00 179.01 179.49 3i04 n GLY 330 N -1.30 -0.37 3.38 1.92 0.00 -1.23 -4.84 105.19 102.74 3i04 n GLY 330 Ca 0.10 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 3i04 n GLY 330 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i04 n GLU 331 N -0.24 0.30 -4.30 1.61 2.13 -0.92 -4.86 120.64 114.37 3i04 n GLU 331 Ca 0.14 0.12 -0.23 0.00 0.66 0.00 0.00 57.16 57.85 3i04 n GLU 331 Cb 0.19 -1.39 -0.13 0.00 0.27 0.00 0.00 31.44 30.38 3i04 n GLU 331 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3i04 s SER 332 N -1.08 2.45 -0.28 4.31 0.15 -1.26 -5.02 113.70 112.97 3i04 s SER 332 Ca 0.63 -0.67 0.03 0.00 0.70 0.00 0.00 55.95 56.64 3i04 s SER 332 Cb -0.49 -0.13 0.07 0.00 -1.71 0.00 0.00 66.02 63.76 3i04 s SER 332 CO 0.59 0.05 -0.05 -0.63 1.20 0.00 0.00 173.24 174.40 3i04 s ILE 333 N -1.15 2.07 0.62 6.45 1.01 -1.26 -5.09 121.20 123.85 3i04 s ILE 333 Ca 0.06 -1.77 -0.16 0.00 0.00 0.00 0.00 60.65 58.78 3i04 s ILE 333 Cb -0.10 -2.30 -0.02 0.00 0.01 0.00 0.00 42.46 40.05 3i04 s ILE 333 CO 0.04 -0.22 1.12 -0.13 0.00 0.00 0.00 174.94 175.75 3i04 s ARG 334 N 1.10 2.96 0.30 2.79 0.52 -1.26 -4.85 118.95 120.52 3i04 s ARG 334 Ca -0.02 1.46 0.04 0.00 -0.52 0.00 0.00 55.73 56.69 3i04 s ARG 334 Cb -0.19 -1.97 0.79 0.00 0.52 0.00 0.00 34.95 34.10 3i04 s ARG 334 CO -0.07 -1.13 1.61 0.87 0.02 0.00 0.00 175.30 176.60 3i04 h LYS 335 N 0.39 0.09 0.00 3.54 6.56 -1.99 0.40 116.57 125.56 3i04 h LYS 335 Ca -0.48 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.11 3i04 h LYS 335 Cb 1.25 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.89 3i04 h LYS 335 CO 0.55 0.06 0.00 0.41 -2.06 0.00 0.00 179.45 178.41 3i04 n GLY 336 N -1.42 -1.14 0.41 3.86 0.00 -1.26 -2.70 105.19 102.94 3i04 n GLY 336 Ca 0.24 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.24 3i04 n GLY 336 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i04 n ASP 337 N -1.43 1.74 -4.68 1.61 10.43 0.10 -4.99 116.55 119.33 3i04 n ASP 337 Ca 0.07 -1.37 -0.43 0.00 2.57 0.00 0.00 54.79 55.63 3i04 n ASP 337 Cb 0.22 0.27 -0.02 0.00 1.84 0.00 0.00 41.12 43.43 3i04 n ASP 337 CO 0.00 0.00 0.00 -0.32 -1.07 0.00 0.00 177.20 175.81 3i04 s MET 338 N -1.44 4.35 -0.06 -1.24 1.75 -1.03 0.14 119.30 121.77 3i04 s MET 338 Ca 0.13 1.42 -0.09 0.00 -1.25 0.00 0.00 55.69 55.91 3i04 s MET 338 Cb 0.11 -3.59 -0.29 0.00 2.84 0.00 0.00 34.83 33.89 3i04 s MET 338 CO 0.26 -0.47 0.62 -0.92 -0.65 0.00 0.00 175.02 173.87 3i04 h TYR 339 N 7.33 0.63 -2.88 4.11 3.20 -0.89 -3.36 116.97 125.11 3i04 h TYR 339 Ca -0.27 -0.46 -0.13 0.00 3.14 0.00 0.00 58.73 61.01 3i04 h TYR 339 Cb 1.11 -0.03 -0.24 0.00 1.54 0.00 0.00 36.73 39.12 3i04 h TYR 339 CO 0.73 1.66 -0.30 0.08 -1.64 0.00 0.00 178.16 178.70 3i04 s VAL 340 N -2.58 0.00 -0.08 1.81 1.01 -1.20 -0.94 120.40 118.44 3i04 s VAL 340 Ca -0.16 -0.02 0.04 0.00 0.00 0.00 0.00 61.98 61.83 3i04 s VAL 340 Cb 0.06 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 35.93 3i04 s VAL 340 CO 0.84 -0.01 -0.19 -0.70 0.00 0.00 0.00 175.10 175.03 3i04 s GLU 341 N 0.11 2.37 0.09 2.72 2.12 -0.99 -1.99 118.70 123.13 3i04 s GLU 341 Ca -0.01 -0.69 0.09 0.00 0.36 0.00 0.00 54.97 54.72 3i04 s GLU 341 Cb -0.03 -1.88 -0.03 0.00 0.26 0.00 0.00 34.13 32.45 3i04 s GLU 341 CO 0.01 0.16 -0.22 -1.64 -0.54 0.00 0.00 175.26 173.03 3i04 s MET 342 N 0.34 1.26 3.56 4.30 -1.94 -0.34 -1.76 119.30 124.73 3i04 s MET 342 Ca -0.14 -1.15 0.00 0.00 -1.71 0.00 0.00 55.69 52.70 3i04 s MET 342 Cb -0.16 -1.54 0.00 0.00 2.01 0.00 0.00 34.83 35.15 3i04 s MET 342 CO 0.06 0.37 0.00 0.41 -0.01 0.00 0.00 175.02 175.85 3i04 n GLY 343 N 1.25 0.32 2.33 -0.03 0.00 -1.24 -1.02 105.19 106.80 3i04 n GLY 343 Ca -0.19 -0.88 -0.15 0.00 0.00 0.00 0.00 46.02 44.80 3i04 n GLY 343 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i04 n GLY 344 N 0.00 0.32 2.38 -0.02 0.00 -0.17 -0.99 105.19 106.70 3i04 n GLY 344 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3i04 n GLY 344 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i04 n ASN 345 N -1.41 -4.57 -0.01 1.61 3.02 -1.26 -4.87 115.26 107.77 3i04 n ASN 345 Ca -0.17 0.30 -0.21 0.00 -0.03 0.00 0.00 54.58 54.47 3i04 n ASN 345 Cb 0.58 -3.28 -0.14 0.00 -0.61 0.00 0.00 39.78 36.34 3i04 n ASN 345 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i04 n ARG 346 N -2.59 0.74 -4.12 3.52 3.00 -0.16 -5.01 116.66 112.05 3i04 n ARG 346 Ca -0.13 0.26 -0.09 0.00 -0.01 0.00 0.00 57.85 57.87 3i04 n ARG 346 Cb 0.45 -1.69 -0.10 0.00 0.00 0.00 0.00 32.46 31.13 3i04 n ARG 346 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 3i04 s THR 347 N -2.55 0.11 0.21 0.55 -4.23 -1.20 -4.96 115.64 103.57 3i04 s THR 347 Ca -0.24 -1.83 -0.30 0.00 -1.18 0.00 0.00 61.69 58.14 3i04 s THR 347 Cb 0.07 -1.95 -0.09 0.00 1.34 0.00 0.00 72.50 71.87 3i04 s THR 347 CO 0.74 -0.52 1.31 -2.84 -0.54 0.00 0.00 174.62 172.78 3i04 s PRO 348 N -4.02 4.39 -0.03 3.99 0.02 -1.26 -3.65 135.00 134.43 3i04 s PRO 348 Ca 0.21 2.07 -0.17 0.00 0.02 0.00 0.00 61.00 63.12 3i04 s PRO 348 Cb 0.07 -3.18 0.03 0.00 0.02 0.00 0.00 34.50 31.44 3i04 s PRO 348 CO -0.00 -0.24 0.38 0.00 -0.33 0.00 0.00 177.00 176.80 3i04 s ALA 349 N -0.00 -0.96 0.15 -1.55 0.00 -1.26 -1.03 121.76 117.10 3i04 s ALA 349 Ca 0.56 0.57 -0.10 0.00 0.00 0.00 0.00 51.96 52.99 3i04 s ALA 349 Cb -0.37 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.74 3i04 s ALA 349 CO 0.39 -0.27 0.31 -0.59 0.00 0.00 0.00 175.76 175.60 3i04 s PHE 350 N -1.14 0.25 0.03 0.00 -0.12 0.43 -4.42 117.98 113.01 3i04 s PHE 350 Ca -0.12 -0.62 0.04 0.00 -0.05 0.00 0.00 56.93 56.19 3i04 s PHE 350 Cb -0.04 0.02 -0.02 0.00 -0.63 0.00 0.00 43.02 42.35 3i04 s PHE 350 CO 0.05 -0.71 -0.13 -1.83 -0.05 0.00 0.00 175.22 172.54 3i04 s GLU 351 N -3.93 0.91 -0.17 1.99 -1.05 -0.83 -0.92 118.70 114.71 3i04 s GLU 351 Ca 0.13 -0.68 -0.09 0.00 -0.15 0.00 0.00 54.97 54.18 3i04 s GLU 351 Cb 0.03 -0.90 0.06 0.00 -0.44 0.00 0.00 34.13 32.88 3i04 s GLU 351 CO -0.03 0.23 0.41 -1.17 0.95 0.00 0.00 175.26 175.65 3i04 s LEU 352 N -0.96 -0.17 -0.13 1.83 2.96 0.19 -4.59 118.68 117.81 3i04 s LEU 352 Ca 0.02 0.90 -0.09 0.00 -0.22 0.00 0.00 54.13 54.74 3i04 s LEU 352 Cb -0.07 1.35 -0.05 0.00 0.50 0.00 0.00 46.19 47.92 3i04 s LEU 352 CO 0.01 -0.20 0.18 -0.69 -1.32 0.00 0.00 176.35 174.33 3i04 s VAL 353 N 1.56 5.41 -0.07 1.68 1.01 -1.26 0.15 120.40 128.89 3i04 s VAL 353 Ca -0.09 0.30 -0.09 0.00 0.00 0.00 0.00 61.98 62.11 3i04 s VAL 353 Cb -0.09 -3.47 0.02 0.00 0.00 0.00 0.00 36.38 32.84 3i04 s VAL 353 CO -0.13 0.54 0.23 0.00 0.00 0.00 0.00 175.10 175.74 3i04 s ARG 354 N -0.50 0.35 0.30 2.72 1.04 -0.47 -4.87 118.95 117.52 3i04 s ARG 354 Ca 0.14 0.15 -0.29 0.00 -1.04 0.00 0.00 55.73 54.69 3i04 s ARG 354 Cb -0.12 0.16 -0.10 0.00 -2.04 0.00 0.00 34.95 32.85 3i04 s ARG 354 CO 0.03 -0.06 1.22 0.99 -0.04 0.00 0.00 175.30 177.44 3i04 s THR 355 N -0.28 3.08 0.20 4.99 2.01 -1.26 -1.21 115.64 123.17 3i04 s THR 355 Ca -0.04 1.07 0.02 0.00 0.31 0.00 0.00 61.69 63.05 3i04 s THR 355 Cb -0.03 -3.68 -0.05 0.00 0.01 0.00 0.00 72.50 68.75 3i04 s THR 355 CO 0.01 0.25 0.01 0.68 -0.69 0.00 0.00 174.62 174.87 3i04 s VAL 356 N -1.04 0.79 0.54 3.82 -7.23 -0.63 -4.85 120.40 111.80 3i04 s VAL 356 Ca 0.48 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.57 3i04 s VAL 356 Cb -0.36 -2.23 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 3i04 s VAL 356 CO 0.47 -0.40 0.88 -0.94 -0.31 0.00 0.00 175.10 174.80 3i04 s SER 357 N -3.23 6.19 0.29 4.85 1.04 -1.26 -4.46 113.70 117.13 3i04 s SER 357 Ca 0.26 1.08 0.04 0.00 0.48 0.00 0.00 55.95 57.82 3i04 s SER 357 Cb 0.06 -2.28 0.71 0.00 0.10 0.00 0.00 66.02 64.62 3i04 s SER 357 CO 0.06 -0.72 1.74 -0.08 0.98 0.00 0.00 173.24 175.22 3i04 h GLU 358 N 0.00 0.58 0.00 4.02 4.81 -1.96 -0.87 114.58 121.16 3i04 h GLU 358 Ca -0.46 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 58.68 3i04 h GLU 358 Cb 1.20 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 3i04 h GLU 358 CO 0.62 0.38 -0.26 0.66 -0.73 0.00 0.00 179.01 179.68 3i04 h SER 359 N 0.59 0.00 -0.46 1.04 4.64 -2.05 -3.11 113.55 114.20 3i04 h SER 359 Ca 0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.88 3i04 h SER 359 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 3i04 h SER 359 CO -0.44 0.26 0.00 -0.62 -0.87 0.00 0.00 176.83 175.16 3i04 n GLU 360 N -3.65 2.40 -4.94 4.77 1.02 -0.34 -4.93 120.64 114.97 3i04 n GLU 360 Ca -0.01 -2.14 -0.27 0.00 -0.02 0.00 0.00 57.16 54.72 3i04 n GLU 360 Cb 0.38 -1.49 -0.15 0.00 -0.02 0.00 0.00 31.44 30.16 3i04 n GLU 360 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 3i04 s ILE 361 N -1.40 1.72 -0.28 -3.67 2.07 -1.18 -4.89 121.20 113.58 3i04 s ILE 361 Ca 0.40 -1.02 -0.01 0.00 -1.41 0.00 0.00 60.65 58.60 3i04 s ILE 361 Cb 0.22 -1.45 0.04 0.00 0.13 0.00 0.00 42.46 41.40 3i04 s ILE 361 CO 0.30 0.40 -0.03 -0.89 -1.91 0.00 0.00 174.94 172.81 3i04 s THR 362 N -0.60 2.90 0.09 4.00 2.01 -1.26 -4.99 115.64 117.78 3i04 s THR 362 Ca 0.08 -1.25 -0.33 0.00 0.31 0.00 0.00 61.69 60.50 3i04 s THR 362 Cb -0.09 -2.59 -0.12 0.00 0.01 0.00 0.00 72.50 69.72 3i04 s THR 362 CO 0.00 0.02 1.75 -0.67 -0.69 0.00 0.00 174.62 175.03 3i04 n ASP 363 N 4.63 3.54 0.00 3.53 2.03 -1.26 -1.70 116.55 127.31 3i04 n ASP 363 Ca -0.15 1.02 0.00 0.00 0.52 0.00 0.00 54.79 56.19 3i04 n ASP 363 Cb 0.45 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.39 3i04 n ASP 363 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3i04 n GLY 364 N 3.96 1.25 3.72 0.27 0.00 0.61 -4.93 105.19 110.07 3i04 n GLY 364 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3i04 n GLY 364 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i04 s LYS 365 N -0.37 4.51 -0.01 1.61 2.20 -0.69 -4.91 119.74 122.08 3i04 s LYS 365 Ca 0.00 1.68 0.00 0.00 -0.36 0.00 0.00 55.97 57.30 3i04 s LYS 365 Cb 0.00 -3.35 0.01 0.00 -1.51 0.00 0.00 37.83 32.99 3i04 s LYS 365 CO 0.00 -0.11 -0.00 0.42 -0.36 0.00 0.00 175.35 175.30 3i04 s ILE 366 N 0.64 0.12 0.00 5.43 1.01 -1.25 -0.27 121.20 126.88 3i04 s ILE 366 Ca 0.54 0.03 -0.07 0.00 0.00 0.00 0.00 60.65 61.16 3i04 s ILE 366 Cb -0.28 -0.17 -0.00 0.00 0.01 0.00 0.00 42.46 42.02 3i04 s ILE 366 CO 0.31 0.09 0.12 -1.83 0.00 0.00 0.00 174.94 173.63 3i04 s GLU 367 N 0.54 0.47 -0.20 2.79 -1.05 -0.62 -4.99 118.70 115.64 3i04 s GLU 367 Ca -0.05 -0.41 -0.04 0.00 -0.15 0.00 0.00 54.97 54.32 3i04 s GLU 367 Cb -0.08 0.19 -0.02 0.00 -0.44 0.00 0.00 34.13 33.79 3i04 s GLU 367 CO -0.01 -0.11 -0.04 0.08 0.95 0.00 0.00 175.26 176.13 3i04 s VAL 368 N -1.38 3.54 -0.38 1.83 1.01 -1.26 -1.04 120.40 122.71 3i04 s VAL 368 Ca -0.15 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 3i04 s VAL 368 Cb -0.08 -2.59 0.09 0.00 0.00 0.00 0.00 36.38 33.81 3i04 s VAL 368 CO 0.01 0.44 0.16 -0.63 0.00 0.00 0.00 175.10 175.09 3i04 s ILE 369 N 1.10 3.35 -2.58 2.22 -1.09 0.19 -4.97 121.20 119.42 3i04 s ILE 369 Ca 0.01 -1.78 0.00 0.00 -2.23 0.00 0.00 60.65 56.65 3i04 s ILE 369 Cb -0.15 -3.16 0.00 0.00 -1.58 0.00 0.00 42.46 37.57 3i04 s ILE 369 CO -0.00 -0.51 0.00 0.61 -1.23 0.00 0.00 174.94 173.81 3i04 n GLY 370 N 4.65 0.67 3.80 6.18 0.00 -1.26 -0.63 105.19 118.59 3i04 n GLY 370 Ca -0.06 -2.09 -0.34 0.00 0.00 0.00 0.00 46.02 43.53 3i04 n GLY 370 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i04 s PRO 371 N -1.03 3.91 0.38 1.61 0.04 -1.26 -4.91 135.00 133.74 3i04 s PRO 371 Ca 0.00 1.31 0.01 0.00 0.04 0.00 0.00 61.00 62.36 3i04 s PRO 371 Cb 0.00 -2.13 0.07 0.00 0.04 0.00 0.00 34.50 32.49 3i04 s PRO 371 CO 0.00 -0.33 0.52 -3.47 0.04 0.00 0.00 177.00 173.76 3i04 n ASP 372 N -0.86 0.82 -0.27 6.66 -0.08 -1.26 -4.77 116.55 116.79 3i04 n ASP 372 Ca 0.09 -1.66 -0.02 0.00 -1.51 0.00 0.00 54.79 51.69 3i04 n ASP 372 Cb 0.53 -0.33 0.10 0.00 2.34 0.00 0.00 41.12 43.76 3i04 n ASP 372 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 3i04 h ILE 373 N -0.39 1.07 -0.57 5.18 6.09 -1.96 -2.47 117.51 124.46 3i04 h ILE 373 Ca -0.17 -0.30 -0.31 0.00 -1.37 0.00 0.00 64.86 62.70 3i04 h ILE 373 Cb 0.67 0.11 -0.17 0.00 0.47 0.00 0.00 36.82 37.89 3i04 h ILE 373 CO 0.20 0.16 0.40 -0.90 -3.07 0.00 0.00 178.15 174.93 3i04 n ASP 374 N -4.66 3.98 0.00 2.19 5.75 -1.26 -3.53 116.55 119.01 3i04 n ASP 374 Ca 0.09 -2.96 0.00 0.00 -0.01 0.00 0.00 54.79 51.91 3i04 n ASP 374 Cb 0.12 -0.75 0.00 0.00 -1.03 0.00 0.00 41.12 39.46 3i04 n ASP 374 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3i04 n GLN 375 N -0.35 0.23 -4.37 0.11 6.02 -0.93 -5.08 117.38 113.02 3i04 n GLN 375 Ca 0.34 -0.47 -0.21 0.00 -0.01 0.00 0.00 57.00 56.65 3i04 n GLN 375 Cb 1.07 -0.56 -0.10 0.00 1.02 0.00 0.00 30.24 31.67 3i04 n GLN 375 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 3i04 s ILE 376 N -0.09 1.91 0.24 5.09 -4.36 -1.23 -4.89 121.20 117.87 3i04 s ILE 376 Ca 0.00 -2.15 -0.30 0.00 -0.26 0.00 0.00 60.65 57.94 3i04 s ILE 376 Cb 0.00 -2.03 -0.09 0.00 1.25 0.00 0.00 42.46 41.59 3i04 s ILE 376 CO 0.00 -0.46 1.20 -2.84 0.24 0.00 0.00 174.94 173.08 3i04 s PRO 377 N -3.33 4.50 -0.18 0.37 0.02 -1.26 -4.96 135.00 130.16 3i04 s PRO 377 Ca 0.22 1.93 -0.40 0.00 0.02 0.00 0.00 61.00 62.77 3i04 s PRO 377 Cb -0.03 -3.19 -0.17 0.00 0.02 0.00 0.00 34.50 31.13 3i04 s PRO 377 CO 0.08 -0.03 1.56 -1.91 -0.33 0.00 0.00 177.00 176.37 3i04 n GLU 378 N 1.86 0.94 0.00 5.54 2.13 -1.26 -2.53 120.64 127.32 3i04 n GLU 378 Ca 0.02 0.34 0.00 0.00 0.66 0.00 0.00 57.16 58.19 3i04 n GLU 378 Cb 0.44 -1.98 0.00 0.00 0.27 0.00 0.00 31.44 30.17 3i04 n GLU 378 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i04 n GLY 379 N 3.50 0.74 0.71 8.31 0.00 -0.11 -5.06 105.19 113.27 3i04 n GLY 379 Ca 0.24 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.21 3i04 n GLY 379 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i04 n SER 380 N 0.00 0.05 -4.18 1.61 3.41 -1.05 -4.82 113.62 108.64 3i04 n SER 380 Ca 0.00 -1.11 -0.17 0.00 -0.26 0.00 0.00 58.87 57.34 3i04 n SER 380 Cb 0.00 -0.18 -0.11 0.00 -0.26 0.00 0.00 64.21 63.66 3i04 n SER 380 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3i04 s LYS 381 N -3.43 0.86 -0.02 4.33 0.00 -1.26 -2.35 119.74 117.88 3i04 s LYS 381 Ca 0.14 -1.09 -0.06 0.00 0.00 0.00 0.00 55.97 54.96 3i04 s LYS 381 Cb -0.00 -0.71 0.01 0.00 0.00 0.00 0.00 37.83 37.12 3i04 s LYS 381 CO 0.09 0.14 0.13 -1.17 0.00 0.00 0.00 175.35 174.54 3i04 s LEU 382 N -2.15 1.55 0.58 2.77 2.96 -0.72 -4.94 118.68 118.72 3i04 s LEU 382 Ca 0.03 -0.03 -0.15 0.00 -0.22 0.00 0.00 54.13 53.76 3i04 s LEU 382 Cb -0.06 0.57 -0.05 0.00 0.50 0.00 0.00 46.19 47.15 3i04 s LEU 382 CO 0.02 -0.24 1.03 -2.16 -1.32 0.00 0.00 176.35 173.67 3i04 s PRO 383 N -0.82 3.56 -0.08 0.98 0.04 -1.26 -4.10 135.00 133.32 3i04 s PRO 383 Ca -0.09 1.03 -0.07 0.00 0.04 0.00 0.00 61.00 61.91 3i04 s PRO 383 Cb -0.05 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.44 3i04 s PRO 383 CO 0.01 -0.60 0.21 -1.17 0.04 0.00 0.00 177.00 175.48 3i04 s LEU 384 N -4.51 1.17 -0.09 -3.56 2.96 -0.20 -4.31 118.68 110.14 3i04 s LEU 384 Ca 0.60 0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 54.92 3i04 s LEU 384 Cb -0.13 0.70 0.03 0.00 0.50 0.00 0.00 46.19 47.29 3i04 s LEU 384 CO 0.38 -0.08 -0.03 -0.83 -1.32 0.00 0.00 176.35 174.48 3i04 s GLY 385 N 0.19 0.59 -0.37 7.98 0.00 0.24 -0.43 107.32 115.53 3i04 s GLY 385 Ca -0.01 -0.27 -0.07 0.00 0.00 0.00 0.00 44.72 44.37 3i04 s GLY 385 CO -0.00 1.02 0.16 -0.42 0.00 0.00 0.00 173.10 173.86 3i04 s ILE 386 N 1.87 3.88 -0.21 0.90 1.01 -0.09 -0.46 121.20 128.10 3i04 s ILE 386 Ca 0.05 -1.28 -0.04 0.00 0.00 0.00 0.00 60.65 59.38 3i04 s ILE 386 Cb -0.12 -3.29 -0.01 0.00 0.01 0.00 0.00 42.46 39.05 3i04 s ILE 386 CO -0.06 -0.32 -0.05 -0.22 0.00 0.00 0.00 174.94 174.29 3i04 s LEU 387 N 1.39 2.93 -0.20 2.97 2.96 -0.50 0.57 118.68 128.79 3i04 s LEU 387 Ca 0.01 -0.35 0.00 0.00 -0.22 0.00 0.00 54.13 53.56 3i04 s LEU 387 Cb -0.21 -1.74 0.02 0.00 0.50 0.00 0.00 46.19 44.77 3i04 s LEU 387 CO 0.02 0.02 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.22 3i04 s VAL 388 N 1.26 2.36 -0.19 1.68 1.01 0.39 -1.59 120.40 125.33 3i04 s VAL 388 Ca 0.03 -0.95 -0.09 0.00 0.00 0.00 0.00 61.98 60.97 3i04 s VAL 388 Cb -0.14 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 3i04 s VAL 388 CO -0.02 0.43 0.10 -1.81 0.00 0.00 0.00 175.10 173.80 3i04 s ASP 389 N 1.30 5.94 -0.08 3.32 -0.00 0.39 -1.36 116.67 126.17 3i04 s ASP 389 Ca 0.03 0.17 0.05 0.00 -0.00 0.00 0.00 52.55 52.80 3i04 s ASP 389 Cb -0.14 -2.02 -0.01 0.00 -0.00 0.00 0.00 42.92 40.75 3i04 s ASP 389 CO -0.10 0.19 -0.24 -0.63 -0.00 0.00 0.00 175.17 174.40 3i04 s ILE 390 N 0.27 2.11 -0.03 0.77 -1.09 -0.35 -1.63 121.20 121.25 3i04 s ILE 390 Ca 0.06 -1.02 0.05 0.00 -2.23 0.00 0.00 60.65 57.51 3i04 s ILE 390 Cb -0.12 -1.79 -0.01 0.00 -1.58 0.00 0.00 42.46 38.97 3i04 s ILE 390 CO -0.01 0.56 -0.17 -0.47 -1.23 0.00 0.00 174.94 173.63 3i04 s TYR 391 N 0.10 1.63 -0.11 3.97 5.04 -0.84 -1.60 117.35 125.53 3i04 s TYR 391 Ca -0.11 -0.41 -0.30 0.00 -2.44 0.00 0.00 57.07 53.81 3i04 s TYR 391 Cb -0.16 -1.08 0.11 0.00 0.35 0.00 0.00 41.96 41.19 3i04 s TYR 391 CO 0.06 -0.11 0.94 0.20 -1.34 0.00 0.00 175.55 175.30 3i04 s GLY 392 N -0.11 -0.35 0.64 8.97 0.00 -1.24 -0.83 107.32 114.40 3i04 s GLY 392 Ca -0.00 1.68 0.39 0.00 0.00 0.00 0.00 44.72 46.79 3i04 s GLY 392 CO 0.01 0.83 2.32 0.07 0.00 0.00 0.00 173.10 176.34 3i04 h ARG 393 N 2.45 0.00 -0.20 2.90 0.11 -1.72 -1.95 114.38 115.98 3i04 h ARG 393 Ca -0.20 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.88 3i04 h ARG 393 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 3i04 h ARG 393 CO 0.32 0.00 0.00 1.63 0.10 0.00 0.00 179.97 182.02 3i04 n LYS 394 N -3.37 2.76 -2.15 0.08 5.02 0.48 -5.00 118.16 115.99 3i04 n LYS 394 Ca -0.03 -2.07 -0.37 0.00 -2.02 0.00 0.00 58.31 53.82 3i04 n LYS 394 Cb 0.08 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 3i04 n LYS 394 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 3i04 s MET 395 N -1.48 3.59 -0.02 1.97 1.75 -0.74 -4.69 119.30 119.68 3i04 s MET 395 Ca 0.20 1.87 -0.11 0.00 -1.25 0.00 0.00 55.69 56.41 3i04 s MET 395 Cb 0.14 -2.35 0.01 0.00 2.84 0.00 0.00 34.83 35.47 3i04 s MET 395 CO 0.09 -0.72 0.23 -0.65 -0.65 0.00 0.00 175.02 173.31 3i04 s GLN 396 N -2.78 0.53 0.30 4.11 -0.21 -1.26 -4.96 119.66 115.38 3i04 s GLN 396 Ca 0.66 -0.19 0.05 0.00 0.02 0.00 0.00 55.36 55.89 3i04 s GLN 396 Cb -0.31 0.23 0.76 0.00 1.00 0.00 0.00 33.01 34.69 3i04 s GLN 396 CO 0.37 -0.13 1.69 0.00 -2.12 0.00 0.00 175.29 175.10 3i04 h ALA 397 N 4.35 1.48 0.00 6.09 0.00 -2.01 0.23 119.26 129.40 3i04 h ALA 397 Ca -0.29 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3i04 h ALA 397 Cb 1.19 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 3i04 h ALA 397 CO 0.39 -0.37 -0.01 -0.44 0.00 0.00 0.00 179.25 178.83 3i04 h ASP 398 N 0.38 0.00 0.53 0.00 3.45 -2.01 -2.10 116.42 116.67 3i04 h ASP 398 Ca 0.58 0.00 0.00 0.00 0.43 0.00 0.00 57.03 58.04 3i04 h ASP 398 Cb 1.13 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.90 3i04 h ASP 398 CO -0.55 0.01 -0.17 0.49 -1.57 0.00 0.00 179.24 177.45 3i04 n PHE 399 N -3.51 0.00 0.22 4.55 0.99 0.07 -4.25 117.46 115.52 3i04 n PHE 399 Ca -0.03 0.00 -0.15 0.00 -0.00 0.00 0.00 57.45 57.27 3i04 n PHE 399 Cb 0.09 -0.26 -0.08 0.00 -1.00 0.00 0.00 39.48 38.22 3i04 n PHE 399 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 3i04 h GLU 400 N 0.34 -0.49 0.00 -1.08 5.08 -1.38 -0.73 114.58 116.34 3i04 h GLU 400 Ca 0.00 0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 3i04 h GLU 400 Cb 0.42 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3i04 h GLU 400 CO 0.00 -0.28 -0.31 0.78 -1.00 0.00 0.00 179.01 178.20 3i04 h GLY 401 N -0.58 0.00 0.98 -3.84 0.00 -1.78 0.41 103.07 98.26 3i04 h GLY 401 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 3i04 h GLY 401 CO 0.08 0.00 -0.20 -2.08 0.00 0.00 0.00 176.54 174.34 3i04 h VAL 402 N 0.00 0.59 -0.17 4.60 2.07 -1.69 -1.57 116.25 120.08 3i04 h VAL 402 Ca -0.00 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 3i04 h VAL 402 Cb 0.60 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3i04 h VAL 402 CO 0.04 0.01 0.10 -0.07 0.02 0.00 0.00 177.57 177.68 3i04 h LEU 403 N -0.59 0.20 -1.57 2.57 3.38 -0.96 -3.19 115.31 115.16 3i04 h LEU 403 Ca -0.06 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3i04 h LEU 403 Cb 0.44 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3i04 h LEU 403 CO 0.09 0.18 0.25 -0.08 0.09 0.00 0.00 178.44 178.97 3i04 h GLU 404 N 0.20 0.53 -0.34 1.13 4.81 -0.90 -1.47 114.58 118.55 3i04 h GLU 404 Ca 0.06 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3i04 h GLU 404 Cb 0.01 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 3i04 h GLU 404 CO -0.01 0.37 0.23 -0.09 -0.73 0.00 0.00 179.01 178.78 3i04 h ARG 405 N 0.55 0.45 0.00 1.92 2.43 -1.26 -2.79 114.38 115.67 3i04 h ARG 405 Ca 0.15 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 3i04 h ARG 405 Cb -0.03 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.41 3i04 h ARG 405 CO -0.03 0.30 -0.12 0.00 -1.51 0.00 0.00 179.97 178.61 3i04 h ARG 406 N 0.47 0.00 -0.73 0.20 2.47 -1.35 -3.18 114.38 112.25 3i04 h ARG 406 Ca 0.13 0.00 0.15 0.00 -1.26 0.00 0.00 59.98 59.00 3i04 h ARG 406 Cb -0.05 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 28.16 3i04 h ARG 406 CO -0.03 0.12 0.20 0.82 0.56 0.00 0.00 179.97 181.65 3i04 h ILE 407 N 0.00 0.55 -0.53 2.04 2.04 -1.54 -0.43 117.51 119.64 3i04 h ILE 407 Ca -0.00 -0.10 0.08 0.00 1.00 0.00 0.00 64.86 65.84 3i04 h ILE 407 Cb 0.75 0.22 -0.10 0.00 -0.74 0.00 0.00 36.82 36.95 3i04 h ILE 407 CO 0.02 0.06 -0.42 -0.74 0.00 0.00 0.00 178.15 177.06 3i04 h HIS 408 N 0.31 -1.22 -0.41 1.37 2.76 -1.74 -2.11 115.15 114.10 3i04 h HIS 408 Ca 0.41 0.08 -0.10 0.00 -2.20 0.00 0.00 60.37 58.56 3i04 h HIS 408 Cb 0.69 0.61 -0.01 0.00 1.55 0.00 0.00 27.41 30.25 3i04 h HIS 408 CO -0.24 -0.42 -0.14 -0.44 -1.30 0.00 0.00 177.93 175.39 3i04 h ASP 409 N -0.25 0.83 -0.89 3.26 3.32 -1.43 -2.80 116.42 118.46 3i04 h ASP 409 Ca 0.17 -0.38 0.01 0.00 0.02 0.00 0.00 57.03 56.85 3i04 h ASP 409 Cb 0.57 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 3i04 h ASP 409 CO -0.65 1.02 0.58 -0.26 -1.72 0.00 0.00 179.24 178.21 3i04 h PHE 410 N 0.63 1.14 -0.05 4.55 0.04 -0.92 -2.25 116.94 120.08 3i04 h PHE 410 Ca 0.10 0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.78 3i04 h PHE 410 Cb 0.68 -0.38 0.01 0.00 2.20 0.00 0.00 35.95 38.45 3i04 h PHE 410 CO 0.05 0.73 -0.40 0.82 -0.60 0.00 0.00 178.31 178.92 3i04 h ILE 411 N 1.22 1.43 -0.50 -0.55 2.04 -1.40 -3.31 117.51 116.44 3i04 h ILE 411 Ca 0.33 -1.84 0.05 0.00 1.00 0.00 0.00 64.86 64.39 3i04 h ILE 411 Cb -0.12 2.43 -0.03 0.00 -0.74 0.00 0.00 36.82 38.36 3i04 h ILE 411 CO -0.07 0.53 0.33 0.78 0.00 0.00 0.00 178.15 179.72 3i04 h ASN 412 N -0.15 0.41 0.00 1.72 2.35 -1.32 -1.38 115.58 117.20 3i04 h ASN 412 Ca -0.04 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3i04 h ASN 412 Cb 1.07 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.35 3i04 h ASN 412 CO 0.08 0.27 0.15 1.88 -1.65 0.00 0.00 177.43 178.16 3i04 h TYR 413 N 0.47 0.00 -3.68 1.19 0.99 -1.50 -3.06 116.97 111.38 3i04 h TYR 413 Ca 0.21 0.00 -0.51 0.00 2.00 0.00 0.00 58.73 60.43 3i04 h TYR 413 Cb 0.25 0.00 0.01 0.00 1.00 0.00 0.00 36.73 37.99 3i04 h TYR 413 CO -0.00 0.00 0.48 0.20 -0.00 0.00 0.00 178.16 178.84 3i04 s GLY 414 N -3.85 2.94 -0.39 3.88 0.00 -0.52 -0.26 107.32 109.11 3i04 s GLY 414 Ca -0.04 0.87 -0.29 0.00 0.00 0.00 0.00 44.72 45.26 3i04 s GLY 414 CO 0.31 1.59 1.10 1.85 0.00 0.00 0.00 173.10 177.96 3i04 s GLU 415 N -0.91 3.91 0.00 2.90 2.12 0.30 -2.59 118.70 124.42 3i04 s GLU 415 Ca 0.47 0.83 0.00 0.00 0.36 0.00 0.00 54.97 56.63 3i04 s GLU 415 Cb -0.31 -3.82 0.00 0.00 0.26 0.00 0.00 34.13 30.26 3i04 s GLU 415 CO 0.38 -1.12 0.00 0.41 -0.54 0.00 0.00 175.26 174.39 3i04 n GLY 416 N 4.33 0.76 3.44 -1.50 0.00 -1.26 -4.66 105.19 106.28 3i04 n GLY 416 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 3i04 n GLY 416 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i04 s LEU 417 N 0.00 3.00 0.09 0.99 1.43 -1.07 -0.48 118.68 122.65 3i04 s LEU 417 Ca 0.00 -0.23 0.07 0.00 -1.03 0.00 0.00 54.13 52.95 3i04 s LEU 417 Cb 0.00 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 3i04 s LEU 417 CO 0.00 0.16 -0.19 0.86 0.23 0.00 0.00 176.35 177.41 3i04 s TRP 418 N 0.39 1.61 -0.20 0.29 -0.00 -0.07 -4.38 118.94 116.59 3i04 s TRP 418 Ca -0.07 -0.43 -0.12 0.00 -0.00 0.00 0.00 56.10 55.48 3i04 s TRP 418 Cb -0.15 -0.89 0.06 0.00 -0.00 0.00 0.00 33.47 32.49 3i04 s TRP 418 CO 0.04 0.15 0.49 -1.58 -0.00 0.00 0.00 176.95 176.05 3i04 s HIS 419 N -1.17 -0.69 0.21 5.86 5.65 -1.26 -1.63 115.29 122.26 3i04 s HIS 419 Ca 0.04 1.48 0.04 0.00 0.25 0.00 0.00 55.06 56.86 3i04 s HIS 419 Cb -0.10 0.33 -0.05 0.00 -1.18 0.00 0.00 32.58 31.58 3i04 s HIS 419 CO 0.03 -0.37 -0.03 -0.08 -0.65 0.00 0.00 174.74 173.65 3i04 s THR 420 N 1.23 1.06 0.00 0.89 -1.32 0.90 -4.90 115.64 113.50 3i04 s THR 420 Ca -0.08 -2.04 0.00 0.00 -1.21 0.00 0.00 61.69 58.36 3i04 s THR 420 Cb -0.07 -2.21 0.00 0.00 -1.51 0.00 0.00 72.50 68.71 3i04 s THR 420 CO -0.12 -0.44 0.00 0.61 -2.21 0.00 0.00 174.62 172.47 3i04 n GLY 421 N -0.36 -1.04 3.60 6.08 0.00 -1.26 -1.53 105.19 110.68 3i04 n GLY 421 Ca -0.06 -1.22 -0.07 0.00 0.00 0.00 0.00 46.02 44.66 3i04 n GLY 421 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3i04 s GLN 422 N 0.00 1.09 4.57 1.61 0.00 -0.78 -4.87 119.66 121.29 3i04 s GLN 422 Ca 0.00 -0.50 0.00 0.00 -0.00 0.00 0.00 55.36 54.86 3i04 s GLN 422 Cb 0.00 0.44 0.00 0.00 0.00 0.00 0.00 33.01 33.45 3i04 s GLN 422 CO 0.00 -0.49 0.00 0.54 0.00 0.00 0.00 175.29 175.34 3i04 n ARG 423 N -0.36 0.00 -0.16 9.60 1.74 -1.26 -0.87 116.66 125.36 3i04 n ARG 423 Ca -0.09 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.08 3i04 n ARG 423 Cb 0.62 0.00 0.17 0.00 -1.02 0.00 0.00 32.46 32.23 3i04 n ARG 423 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3i04 n ASN 424 N 6.81 3.04 -3.48 0.55 2.04 -1.26 -1.96 115.26 121.00 3i04 n ASN 424 Ca 0.00 -1.89 -0.33 0.00 -0.44 0.00 0.00 54.58 51.92 3i04 n ASN 424 Cb 0.00 -0.21 -0.03 0.00 -2.53 0.00 0.00 39.78 37.01 3i04 n ASN 424 CO 0.00 0.00 0.00 -0.38 -0.44 0.00 0.00 177.26 176.44 3i04 n ILE 425 N 1.06 3.86 -4.56 1.53 5.41 -0.05 -4.61 119.36 122.01 3i04 n ILE 425 Ca 0.15 -5.61 -0.30 0.00 1.00 0.00 0.00 62.75 57.99 3i04 n ILE 425 Cb 0.49 -1.83 -0.08 0.00 -0.71 0.00 0.00 39.64 37.51 3i04 n ILE 425 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3i04 s ASN 426 N -2.39 4.15 -0.30 4.38 6.03 -1.21 -1.86 114.94 123.75 3i04 s ASN 426 Ca 0.40 -1.47 -0.10 0.00 -1.03 0.00 0.00 52.86 50.66 3i04 s ASN 426 Cb 0.16 0.15 0.15 0.00 -3.03 0.00 0.00 41.25 38.68 3i04 s ASN 426 CO -0.03 -0.74 0.76 0.86 -2.03 0.00 0.00 177.10 175.92 3i04 s TRP 427 N -2.79 -1.16 0.06 1.54 -0.00 -0.58 -1.00 118.94 115.02 3i04 s TRP 427 Ca 0.21 1.81 0.08 0.00 -0.00 0.00 0.00 56.10 58.20 3i04 s TRP 427 Cb 0.04 0.62 -0.03 0.00 -0.00 0.00 0.00 33.47 34.10 3i04 s TRP 427 CO 0.11 -0.59 -0.22 -0.51 -0.00 0.00 0.00 176.95 175.75 3i04 s LEU 428 N 2.77 2.21 0.05 5.86 1.02 -0.19 -0.07 118.68 130.33 3i04 s LEU 428 Ca -0.00 -0.58 0.03 0.00 0.02 0.00 0.00 54.13 53.59 3i04 s LEU 428 Cb -0.11 -0.99 -0.02 0.00 0.02 0.00 0.00 46.19 45.09 3i04 s LEU 428 CO -0.18 0.14 -0.10 -0.13 0.02 0.00 0.00 176.35 176.10 3i04 s ARG 429 N -1.42 0.64 -0.07 1.70 0.52 -0.65 -1.20 118.95 118.47 3i04 s ARG 429 Ca 0.08 -0.78 0.03 0.00 -0.52 0.00 0.00 55.73 54.54 3i04 s ARG 429 Cb -0.09 -0.50 0.01 0.00 0.52 0.00 0.00 34.95 34.88 3i04 s ARG 429 CO 0.03 0.11 -0.16 0.08 0.02 0.00 0.00 175.30 175.37 3i04 s VAL 430 N -1.24 1.41 0.68 3.52 1.01 -0.84 -0.89 120.40 124.05 3i04 s VAL 430 Ca -0.06 -0.66 -0.11 0.00 0.00 0.00 0.00 61.98 61.15 3i04 s VAL 430 Cb -0.09 -1.24 -0.00 0.00 0.00 0.00 0.00 36.38 35.04 3i04 s VAL 430 CO 0.01 0.41 1.06 -0.94 0.00 0.00 0.00 175.10 175.64 3i04 s SER 431 N 0.43 5.63 0.29 3.32 1.04 0.37 -0.34 113.70 124.44 3i04 s SER 431 Ca -0.13 1.43 -0.02 0.00 0.48 0.00 0.00 55.95 57.71 3i04 s SER 431 Cb -0.15 -2.35 0.41 0.00 0.10 0.00 0.00 66.02 64.03 3i04 s SER 431 CO 0.04 -1.26 1.91 0.11 0.98 0.00 0.00 173.24 175.03 3i04 h LYS 432 N -0.59 1.00 -0.43 4.02 1.57 0.99 -2.94 116.57 120.19 3i04 h LYS 432 Ca -0.44 -0.11 -0.13 0.00 -1.87 0.00 0.00 60.65 58.10 3i04 h LYS 432 Cb 1.22 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 3i04 h LYS 432 CO 0.60 0.74 -0.22 0.22 -0.57 0.00 0.00 179.45 180.22 3i04 h ASP 433 N 1.01 0.94 -0.92 0.86 -0.00 -1.93 -1.26 116.42 115.12 3i04 h ASP 433 Ca 0.25 -0.41 0.09 0.00 -0.00 0.00 0.00 57.03 56.97 3i04 h ASP 433 Cb 0.04 -0.26 -0.07 0.00 -0.00 0.00 0.00 39.33 39.03 3i04 h ASP 433 CO -0.04 1.14 0.56 0.00 -0.00 0.00 0.00 179.24 180.90 3i04 h ALA 434 N 0.83 1.33 -0.33 -0.78 0.00 -1.81 -1.21 119.26 117.29 3i04 h ALA 434 Ca 0.09 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3i04 h ALA 434 Cb 0.80 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3i04 h ALA 434 CO 0.07 0.22 0.13 0.28 0.00 0.00 0.00 179.25 179.95 3i04 h VAL 435 N 0.94 1.18 -0.38 0.00 2.07 -1.31 -0.80 116.25 117.96 3i04 h VAL 435 Ca 0.43 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 3i04 h VAL 435 Cb 0.35 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3i04 h VAL 435 CO -0.23 0.20 0.13 0.00 0.02 0.00 0.00 177.57 177.68 3i04 h ALA 436 N 0.97 1.52 0.00 1.67 0.00 -0.86 0.43 119.26 123.00 3i04 h ALA 436 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i04 h ALA 436 Cb 0.18 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3i04 h ALA 436 CO -0.01 0.37 0.00 0.87 0.00 0.00 0.00 179.25 180.48 3i04 h LYS 437 N 0.54 0.00 0.00 0.00 1.57 -1.01 -3.47 116.57 114.20 3i04 h LYS 437 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3i04 h LYS 437 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3i04 h LYS 437 CO -0.01 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.28 3i04 n GLY 438 N 0.01 1.81 3.71 3.86 0.00 0.14 -4.83 105.19 109.88 3i04 n GLY 438 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3i04 n GLY 438 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3i04 s PHE 439 N -2.00 3.12 0.16 1.61 5.36 -0.36 -4.81 117.98 121.07 3i04 s PHE 439 Ca 0.00 0.91 0.07 0.00 -0.96 0.00 0.00 56.93 56.95 3i04 s PHE 439 Cb 0.00 -3.67 -0.04 0.00 -0.34 0.00 0.00 43.02 38.96 3i04 s PHE 439 CO 0.00 -2.40 -0.14 1.03 -1.46 0.00 0.00 175.22 172.25 3i04 s ARG 440 N 1.48 1.16 0.43 10.12 1.81 -1.26 -4.69 118.95 127.99 3i04 s ARG 440 Ca 0.64 -1.41 0.19 0.00 -1.72 0.00 0.00 55.73 53.43 3i04 s ARG 440 Cb -0.35 -0.98 1.12 0.00 -0.45 0.00 0.00 34.95 34.30 3i04 s ARG 440 CO 0.29 0.17 1.85 0.74 -0.68 0.00 0.00 175.30 177.67 3i04 h PHE 441 N 3.05 0.50 -0.93 -0.53 0.05 -1.96 0.33 116.94 117.45 3i04 h PHE 441 Ca -0.39 0.02 0.39 0.00 3.82 0.00 0.00 57.97 61.81 3i04 h PHE 441 Cb 1.20 -0.15 -0.17 0.00 2.00 0.00 0.00 35.95 38.83 3i04 h PHE 441 CO 0.68 0.12 0.50 1.17 -0.18 0.00 0.00 178.31 180.59 3i04 n LYS 442 N -4.50 -0.06 -0.03 1.51 4.81 -1.26 -1.83 118.16 116.80 3i04 n LYS 442 Ca 0.20 1.29 -0.08 0.00 -0.87 0.00 0.00 58.31 58.85 3i04 n LYS 442 Cb 0.75 -2.31 0.09 0.00 0.02 0.00 0.00 35.03 33.58 3i04 n LYS 442 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 3i04 h ASN 443 N 0.00 0.68 -0.63 3.14 -0.26 -0.75 -0.10 115.58 117.66 3i04 h ASN 443 Ca 0.79 -0.29 0.11 0.00 -0.56 0.00 0.00 56.30 56.35 3i04 h ASN 443 Cb 2.08 -0.19 -0.12 0.00 -1.06 0.00 0.00 38.32 39.03 3i04 h ASN 443 CO -0.72 0.98 -0.32 1.88 -1.06 0.00 0.00 177.43 178.19 3i04 h TYR 444 N 0.54 -0.89 -0.90 1.19 0.05 -1.50 -0.78 116.97 114.67 3i04 h TYR 444 Ca 0.05 0.07 -0.01 0.00 0.05 0.00 0.00 58.73 58.89 3i04 h TYR 444 Cb 0.88 0.48 -0.04 0.00 1.01 0.00 0.00 36.73 39.06 3i04 h TYR 444 CO 0.04 -0.38 0.50 0.78 -1.05 0.00 0.00 178.16 178.06 3i04 h GLY 445 N -0.14 1.33 1.25 3.88 0.00 -1.22 -2.06 103.07 106.12 3i04 h GLY 445 Ca 0.25 -0.59 -0.08 0.00 0.00 0.00 0.00 47.33 46.91 3i04 h GLY 445 CO -0.71 0.57 0.04 0.83 0.00 0.00 0.00 176.54 177.27 3i04 h GLU 446 N 1.25 0.91 -0.11 4.80 5.08 -0.39 0.11 114.58 126.23 3i04 h GLU 446 Ca 0.32 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3i04 h GLU 446 Cb 0.01 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 3i04 h GLU 446 CO -0.05 0.88 0.02 0.82 -1.00 0.00 0.00 179.01 179.68 3i04 h ILE 447 N 0.85 1.20 -0.30 3.13 2.04 -0.96 -2.77 117.51 120.70 3i04 h ILE 447 Ca 0.17 -0.63 0.01 0.00 1.00 0.00 0.00 64.86 65.40 3i04 h ILE 447 Cb 0.45 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 3i04 h ILE 447 CO 0.02 0.18 0.19 -0.07 0.00 0.00 0.00 178.15 178.48 3i04 h LEU 448 N -0.03 0.33 0.38 1.44 4.07 -1.17 0.64 115.31 120.97 3i04 h LEU 448 Ca 0.04 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.98 3i04 h LEU 448 Cb 0.27 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 3i04 h LEU 448 CO 0.00 0.24 -0.31 0.58 -1.08 0.00 0.00 178.44 177.87 3i04 h VAL 449 N 0.40 0.36 -0.29 1.22 2.07 -1.01 -1.61 116.25 117.38 3i04 h VAL 449 Ca 0.11 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.65 3i04 h VAL 449 Cb -0.04 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 3i04 h VAL 449 CO -0.03 0.00 0.15 0.00 0.02 0.00 0.00 177.57 177.71 3i04 h ALA 450 N -0.19 0.36 -0.17 1.67 0.00 -1.37 -2.33 119.26 117.22 3i04 h ALA 450 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 3i04 h ALA 450 Cb 0.61 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.35 3i04 h ALA 450 CO -0.01 -0.23 -0.75 0.87 0.00 0.00 0.00 179.25 179.13 3i04 h LYS 451 N 0.32 0.81 -0.18 0.00 1.79 -0.87 -0.22 116.57 118.22 3i04 h LYS 451 Ca 0.12 -0.64 0.02 0.00 -2.18 0.00 0.00 60.65 57.96 3i04 h LYS 451 Cb 0.02 0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.78 3i04 h LYS 451 CO -0.07 1.25 0.07 0.52 -1.08 0.00 0.00 179.45 180.14 3i04 h MET 452 N 0.56 0.16 -0.63 3.15 2.86 -1.31 0.14 114.93 119.86 3i04 h MET 452 Ca -0.04 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.63 3i04 h MET 452 Cb 1.38 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.96 3i04 h MET 452 CO 0.16 0.10 0.37 0.87 1.06 0.00 0.00 176.91 179.47 3i04 h LYS 453 N 0.16 0.70 -0.05 1.72 1.57 -1.36 -1.82 116.57 117.48 3i04 h LYS 453 Ca 0.08 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3i04 h LYS 453 Cb 0.04 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 3i04 h LYS 453 CO -0.07 0.46 -0.01 1.49 -0.57 0.00 0.00 179.45 180.75 3i04 h GLU 454 N 0.72 0.10 0.00 3.15 4.81 -0.65 -3.23 114.58 119.48 3i04 h GLU 454 Ca 0.27 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.34 3i04 h GLU 454 Cb 0.09 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3i04 h GLU 454 CO -0.13 0.45 -0.55 0.93 -0.73 0.00 0.00 179.01 178.98 3i04 h GLU 455 N -0.26 0.00 -2.12 1.92 4.39 -0.72 -3.39 114.58 114.41 3i04 h GLU 455 Ca 0.01 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.17 3i04 h GLU 455 Cb 0.41 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.66 3i04 h GLU 455 CO 0.01 0.55 -0.93 1.19 -1.16 0.00 0.00 179.01 178.66 3i04 n PHE 456 N -3.53 1.82 -1.80 4.33 3.01 -0.69 -5.08 117.46 115.52 3i04 n PHE 456 Ca -0.00 -3.88 -0.34 0.00 1.01 0.00 0.00 57.45 54.24 3i04 n PHE 456 Cb 0.63 -0.45 0.05 0.00 -0.01 0.00 0.00 39.48 39.70 3i04 n PHE 456 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3i04 s PRO 457 N -2.65 2.78 0.00 -1.08 0.04 -1.22 -0.93 135.00 131.94 3i04 s PRO 457 Ca 0.43 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.00 3i04 s PRO 457 Cb 0.28 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.89 3i04 s PRO 457 CO -0.10 -1.29 0.00 0.00 0.04 0.00 0.00 177.00 175.65 3i04 n ALA 458 N -2.22 0.00 -0.14 8.56 0.00 -1.26 -4.47 120.51 120.98 3i04 n ALA 458 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.44 3i04 n ALA 458 Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 3i04 n ALA 458 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3i04 h ILE 459 N 0.00 1.28 -3.68 0.00 2.04 -1.80 0.14 117.51 115.50 3i04 h ILE 459 Ca 0.00 -1.28 -0.69 0.00 1.00 0.00 0.00 64.86 63.90 3i04 h ILE 459 Cb 0.00 1.25 -0.33 0.00 -0.74 0.00 0.00 36.82 37.00 3i04 h ILE 459 CO 0.00 0.43 -0.65 -0.69 0.00 0.00 0.00 178.15 177.24 3i04 s VAL 460 N -4.69 3.15 -0.06 1.67 1.01 -0.11 -3.26 120.40 118.12 3i04 s VAL 460 Ca -0.12 -1.56 0.21 0.00 0.00 0.00 0.00 61.98 60.51 3i04 s VAL 460 Cb 0.10 -2.92 -0.32 0.00 0.00 0.00 0.00 36.38 33.25 3i04 s VAL 460 CO 0.83 -0.28 0.40 0.47 0.00 0.00 0.00 175.10 176.52 3i04 n ASP 461 N 4.63 0.15 -3.70 3.32 8.00 -0.01 -4.56 116.55 124.38 3i04 n ASP 461 Ca -0.10 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.26 3i04 n ASP 461 Cb 0.43 1.81 -0.08 0.00 -0.02 0.00 0.00 41.12 43.26 3i04 n ASP 461 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3i04 s ARG 462 N -3.32 0.73 -0.03 -1.24 0.52 -0.04 -4.99 118.95 110.58 3i04 s ARG 462 Ca -0.08 0.08 -0.09 0.00 -0.52 0.00 0.00 55.73 55.13 3i04 s ARG 462 Cb 0.12 0.34 0.01 0.00 0.52 0.00 0.00 34.95 35.94 3i04 s ARG 462 CO 0.87 -0.19 0.19 0.08 0.02 0.00 0.00 175.30 176.27 3i04 s VAL 463 N -0.98 0.05 -0.01 3.52 1.01 -1.26 -1.98 120.40 120.75 3i04 s VAL 463 Ca -0.10 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 3i04 s VAL 463 Cb -0.04 -0.42 0.00 0.00 0.00 0.00 0.00 36.38 35.93 3i04 s VAL 463 CO 0.05 -0.22 0.04 -1.58 0.00 0.00 0.00 175.10 173.39 3i04 s GLN 464 N -0.83 0.06 -0.04 2.72 0.74 -0.64 -0.28 119.66 121.38 3i04 s GLN 464 Ca -0.09 0.04 0.02 0.00 0.05 0.00 0.00 55.36 55.38 3i04 s GLN 464 Cb -0.05 0.03 0.01 0.00 1.10 0.00 0.00 33.01 34.10 3i04 s GLN 464 CO 0.02 -0.01 -0.10 0.08 -0.55 0.00 0.00 175.29 174.73 3i04 s VAL 465 N -0.03 0.89 -0.08 1.34 1.01 0.63 -0.46 120.40 123.70 3i04 s VAL 465 Ca -0.01 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.64 3i04 s VAL 465 Cb -0.01 -0.82 0.00 0.00 0.00 0.00 0.00 36.38 35.56 3i04 s VAL 465 CO 0.00 0.29 -0.21 -0.89 0.00 0.00 0.00 175.10 174.29 3i04 s THR 466 N 0.46 1.80 -0.28 3.92 2.01 -0.62 -1.59 115.64 121.33 3i04 s THR 466 Ca -0.08 -0.88 -0.06 0.00 0.31 0.00 0.00 61.69 60.98 3i04 s THR 466 Cb -0.12 -1.56 0.01 0.00 0.01 0.00 0.00 72.50 70.84 3i04 s THR 466 CO 0.02 0.50 0.05 -0.63 -0.69 0.00 0.00 174.62 173.87 3i04 s ILE 467 N 0.31 3.76 -0.20 1.82 1.09 -0.21 -1.42 121.20 126.36 3i04 s ILE 467 Ca -0.14 -0.74 -0.12 0.00 -1.10 0.00 0.00 60.65 58.55 3i04 s ILE 467 Cb -0.16 -2.93 -0.05 0.00 -1.06 0.00 0.00 42.46 38.26 3i04 s ILE 467 CO 0.06 0.11 0.21 -0.36 -0.10 0.00 0.00 174.94 174.87 3i04 s PHE 468 N 1.47 3.40 0.00 3.97 0.40 0.39 -0.63 117.98 126.98 3i04 s PHE 468 Ca 0.02 0.41 0.00 0.00 -0.60 0.00 0.00 56.93 56.77 3i04 s PHE 468 Cb -0.17 -2.27 0.00 0.00 0.51 0.00 0.00 43.02 41.09 3i04 s PHE 468 CO 0.01 0.20 0.10 0.25 0.70 0.00 0.00 175.22 176.47 3i04 n THR 469 N 3.79 0.00 -2.16 0.64 -2.24 0.19 -0.59 114.28 113.91 3i04 n THR 469 Ca -0.14 -0.45 -0.42 0.00 -2.27 0.00 0.00 64.05 60.77 3i04 n THR 469 Cb 0.52 1.02 -0.03 0.00 -2.10 0.00 0.00 70.33 69.74 3i04 n THR 469 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3i04 s ASP 470 N -0.70 6.80 0.57 3.42 2.15 -1.10 -4.27 116.67 123.54 3i04 s ASP 470 Ca 0.00 2.17 0.31 0.00 0.43 0.00 0.00 52.55 55.46 3i04 s ASP 470 Cb 0.00 -2.56 1.73 0.00 -0.30 0.00 0.00 42.92 41.79 3i04 s ASP 470 CO 0.00 -0.76 2.18 -0.08 -0.17 0.00 0.00 175.17 176.34 3i04 h GLU 471 N 8.04 0.00 0.05 4.34 4.81 -1.94 -2.00 114.58 127.88 3i04 h GLU 471 Ca -0.38 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.76 3i04 h GLU 471 Cb 1.18 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.57 3i04 h GLU 471 CO 0.91 0.05 -0.38 0.00 -0.73 0.00 0.00 179.01 178.87 3i04 h ALA 472 N 1.95 -0.02 -0.00 2.92 0.00 -1.99 -2.55 119.26 119.57 3i04 h ALA 472 Ca -0.00 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 54.25 3i04 h ALA 472 Cb 0.17 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3i04 h ALA 472 CO 0.01 0.17 -0.48 0.87 0.00 0.00 0.00 179.25 179.82 3i04 h LYS 473 N -0.61 0.00 -0.01 0.00 1.57 -1.92 -0.52 116.57 115.07 3i04 h LYS 473 Ca -0.06 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3i04 h LYS 473 Cb 1.24 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.55 3i04 h LYS 473 CO 0.07 0.48 0.00 0.28 -0.57 0.00 0.00 179.45 179.71 3i04 h VAL 474 N 0.00 1.18 -0.37 0.50 2.07 -1.48 -0.22 116.25 117.93 3i04 h VAL 474 Ca -0.00 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 3i04 h VAL 474 Cb 0.84 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 3i04 h VAL 474 CO 0.06 0.14 0.04 0.07 0.02 0.00 0.00 177.57 177.90 3i04 h LYS 475 N -0.20 0.55 0.24 1.57 2.10 -1.28 0.27 116.57 119.82 3i04 h LYS 475 Ca 0.00 -0.11 -0.01 0.00 -2.00 0.00 0.00 60.65 58.53 3i04 h LYS 475 Cb 0.22 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.47 3i04 h LYS 475 CO -0.00 0.55 -0.12 1.49 -2.00 0.00 0.00 179.45 179.37 3i04 h GLU 476 N 0.54 -0.31 0.00 0.07 4.81 -1.05 -3.28 114.58 115.36 3i04 h GLU 476 Ca 0.12 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3i04 h GLU 476 Cb 0.28 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.74 3i04 h GLU 476 CO 0.00 -0.21 0.00 1.88 -0.73 0.00 0.00 179.01 179.95 3i04 h TYR 477 N -0.34 0.00 -0.83 0.92 -1.99 -0.94 -1.61 116.97 112.18 3i04 h TYR 477 Ca -0.03 0.00 0.15 0.00 2.00 0.00 0.00 58.73 60.85 3i04 h TYR 477 Cb 0.25 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 38.92 3i04 h TYR 477 CO 0.17 0.00 0.55 1.98 -0.00 0.00 0.00 178.16 180.85 3i04 h MET 478 N 0.00 0.52 0.05 4.88 4.05 -0.99 -0.89 114.93 122.55 3i04 h MET 478 Ca 0.00 -0.03 -0.24 0.00 -0.28 0.00 0.00 59.70 59.15 3i04 h MET 478 Cb 0.18 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.85 3i04 h MET 478 CO 0.00 0.34 -1.09 0.93 0.23 0.00 0.00 176.91 177.32 3i04 h GLU 479 N 0.53 0.13 -0.65 0.39 4.39 -1.41 -2.05 114.58 115.91 3i04 h GLU 479 Ca 0.42 -0.21 0.05 0.00 0.34 0.00 0.00 59.36 59.96 3i04 h GLU 479 Cb 0.84 0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 29.51 3i04 h GLU 479 CO -0.16 1.09 0.37 0.28 -1.16 0.00 0.00 179.01 179.42 3i04 h VAL 480 N 0.04 0.99 0.78 3.13 2.07 -1.47 -2.42 116.25 119.36 3i04 h VAL 480 Ca -0.06 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 3i04 h VAL 480 Cb 1.83 0.24 0.01 0.00 -1.52 0.00 0.00 31.29 31.85 3i04 h VAL 480 CO 0.16 0.13 -0.37 0.00 0.02 0.00 0.00 177.57 177.50 3i04 h ALA 481 N 1.33 -1.05 -0.88 1.67 0.00 -1.04 -2.78 119.26 116.51 3i04 h ALA 481 Ca 0.29 -0.23 0.22 0.00 0.00 0.00 0.00 54.91 55.19 3i04 h ALA 481 Cb 0.15 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 3i04 h ALA 481 CO -0.17 -1.07 0.60 0.00 0.00 0.00 0.00 179.25 178.61 3i04 h ARG 482 N -1.08 0.22 0.03 0.00 3.08 -1.37 0.24 114.38 115.50 3i04 h ARG 482 Ca -0.11 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 3i04 h ARG 482 Cb 0.81 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.81 3i04 h ARG 482 CO 0.18 0.14 -0.01 1.49 -1.07 0.00 0.00 179.97 180.70 3i04 h GLU 483 N 0.23 -0.03 -0.64 0.04 4.81 -1.24 -2.27 114.58 115.47 3i04 h GLU 483 Ca 0.45 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.67 3i04 h GLU 483 Cb 1.38 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.74 3i04 h GLU 483 CO -0.11 0.08 0.37 0.87 -0.73 0.00 0.00 179.01 179.49 3i04 h LYS 484 N -0.13 0.89 -0.45 1.92 1.79 -0.47 -2.42 116.57 117.69 3i04 h LYS 484 Ca -0.00 -0.09 0.05 0.00 -2.18 0.00 0.00 60.65 58.42 3i04 h LYS 484 Cb 0.12 -0.18 -0.05 0.00 -1.58 0.00 0.00 32.23 30.55 3i04 h LYS 484 CO 0.01 0.66 0.18 1.88 -1.08 0.00 0.00 179.45 181.09 3i04 h TYR 485 N 0.87 0.33 -0.24 -1.35 0.99 -0.54 -1.02 116.97 116.01 3i04 h TYR 485 Ca 0.23 0.02 -0.17 0.00 2.00 0.00 0.00 58.73 60.81 3i04 h TYR 485 Cb 0.02 -0.08 -0.00 0.00 1.00 0.00 0.00 36.73 37.66 3i04 h TYR 485 CO -0.01 0.13 -0.52 0.87 -0.00 0.00 0.00 178.16 178.63 3i04 h LYS 486 N 0.37 0.70 -0.92 4.88 1.79 -1.34 0.14 116.57 122.18 3i04 h LYS 486 Ca 0.21 -0.43 0.05 0.00 -2.18 0.00 0.00 60.65 58.30 3i04 h LYS 486 Cb 0.18 0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 30.82 3i04 h LYS 486 CO -0.19 1.05 0.60 0.93 -1.08 0.00 0.00 179.45 180.76 3i04 h GLU 487 N 0.54 1.09 0.22 3.15 5.08 -1.23 -1.78 114.58 121.65 3i04 h GLU 487 Ca 0.02 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3i04 h GLU 487 Cb 1.08 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3i04 h GLU 487 CO 0.11 0.72 -0.11 0.00 -1.00 0.00 0.00 179.01 178.73 3i04 h ARG 488 N 1.12 -0.29 -0.63 2.33 3.08 -0.42 -1.67 114.38 117.90 3i04 h ARG 488 Ca 0.38 0.02 0.13 0.00 0.07 0.00 0.00 59.98 60.58 3i04 h ARG 488 Cb 0.09 0.07 -0.09 0.00 0.08 0.00 0.00 29.97 30.11 3i04 h ARG 488 CO -0.13 0.08 0.11 -0.44 -1.07 0.00 0.00 179.97 178.53 3i04 h ASP 489 N -0.76 -0.05 -0.58 7.04 3.32 -0.76 -1.31 116.42 123.31 3i04 h ASP 489 Ca -0.03 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 3i04 h ASP 489 Cb 0.50 0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 3i04 h ASP 489 CO 0.05 -0.03 0.31 0.44 -1.72 0.00 0.00 179.24 178.30 3i04 h ASP 490 N 0.23 0.72 0.06 6.45 3.45 -1.32 -0.97 116.42 125.04 3i04 h ASP 490 Ca 0.34 -0.10 -0.07 0.00 0.43 0.00 0.00 57.03 57.63 3i04 h ASP 490 Cb 0.53 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 39.11 3i04 h ASP 490 CO -0.45 0.61 -0.21 0.03 -1.57 0.00 0.00 179.24 177.65 3i04 h ARG 491 N 0.78 0.28 -0.35 3.56 3.08 -0.83 -3.16 114.38 117.75 3i04 h ARG 491 Ca 0.20 -0.09 -0.14 0.00 0.07 0.00 0.00 59.98 60.02 3i04 h ARG 491 Cb 0.05 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3i04 h ARG 491 CO -0.03 0.49 -0.35 0.52 -1.07 0.00 0.00 179.97 179.53 3i04 h MET 492 N 0.26 0.85 -0.05 0.04 2.86 -0.77 -2.23 114.93 115.89 3i04 h MET 492 Ca 0.04 -0.45 -0.01 0.00 -2.06 0.00 0.00 59.70 57.23 3i04 h MET 492 Cb 0.53 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.20 3i04 h MET 492 CO 0.04 1.09 -0.00 -0.09 1.06 0.00 0.00 176.91 179.00 3i04 h ARG 493 N 0.64 0.06 -0.02 1.72 2.43 -1.17 0.68 114.38 118.73 3i04 h ARG 493 Ca 0.06 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3i04 h ARG 493 Cb 0.93 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 3i04 h ARG 493 CO 0.09 0.08 -0.14 0.41 -1.51 0.00 0.00 179.97 178.89 3i04 n GLY 494 N -1.43 0.06 3.46 2.80 0.00 -1.12 -4.77 105.19 104.19 3i04 n GLY 494 Ca -0.02 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 3i04 n GLY 494 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i04 s LEU 495 N -2.20 4.51 0.27 0.99 2.96 0.23 -4.81 118.68 120.63 3i04 s LEU 495 Ca 0.29 -1.25 0.04 0.00 -0.22 0.00 0.00 54.13 52.99 3i04 s LEU 495 Cb 0.20 -2.42 -0.06 0.00 0.50 0.00 0.00 46.19 44.41 3i04 s LEU 495 CO 0.41 -1.36 0.03 0.42 -1.32 0.00 0.00 176.35 174.53 3i04 s THR 496 N 3.78 1.08 0.36 3.68 -4.23 -1.26 -4.75 115.64 114.31 3i04 s THR 496 Ca 0.25 -2.02 0.07 0.00 -1.18 0.00 0.00 61.69 58.80 3i04 s THR 496 Cb -0.14 -2.56 0.17 0.00 1.34 0.00 0.00 72.50 71.31 3i04 s THR 496 CO 0.05 -0.16 1.91 0.44 -0.54 0.00 0.00 174.62 176.33 3i04 h ASP 497 N 2.31 0.39 -0.11 3.99 5.19 -1.93 -2.55 116.42 123.71 3i04 h ASP 497 Ca -0.39 -0.07 -0.12 0.00 -0.62 0.00 0.00 57.03 55.83 3i04 h ASP 497 Cb 1.24 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.63 3i04 h ASP 497 CO 0.66 0.47 -0.33 -0.33 -3.12 0.00 0.00 179.24 176.59 3i04 h GLU 498 N 0.41 0.61 0.00 3.56 3.07 -1.97 -3.26 114.58 116.99 3i04 h GLU 498 Ca 0.09 -0.28 -0.07 0.00 -0.50 0.00 0.00 59.36 58.60 3i04 h GLU 498 Cb 0.29 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 3i04 h GLU 498 CO 0.01 0.86 -0.51 1.79 -1.40 0.00 0.00 179.01 179.75 3i04 h THR 499 N 0.51 0.46 -3.34 1.13 1.35 -1.78 -3.46 112.91 107.79 3i04 h THR 499 Ca 0.06 -1.69 -0.50 0.00 -0.55 0.00 0.00 66.41 63.73 3i04 h THR 499 Cb 0.82 2.15 0.01 0.00 -1.73 0.00 0.00 68.15 69.40 3i04 h THR 499 CO 0.07 0.26 -0.02 0.68 -0.25 0.00 0.00 175.52 176.26 3i04 s VAL 500 N -3.07 4.96 -1.87 6.82 -7.23 -1.04 -4.96 120.40 114.00 3i04 s VAL 500 Ca 0.04 0.11 0.17 0.00 -1.81 0.00 0.00 61.98 60.49 3i04 s VAL 500 Cb 0.07 -3.80 0.30 0.00 0.56 0.00 0.00 36.38 33.51 3i04 s VAL 500 CO 0.74 -0.57 1.21 -0.90 -0.31 0.00 0.00 175.10 175.27 3i04 n ASP 501 N -1.58 2.92 -3.71 4.85 5.75 -1.26 -4.93 116.55 118.60 3i04 n ASP 501 Ca -0.01 -1.85 -0.16 0.00 -0.01 0.00 0.00 54.79 52.76 3i04 n ASP 501 Cb 0.55 -0.17 -0.16 0.00 -1.03 0.00 0.00 41.12 40.31 3i04 n ASP 501 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3i04 s THR 502 N -1.26 -0.14 0.41 2.12 2.01 -1.26 -0.03 115.64 117.49 3i04 s THR 502 Ca 0.28 0.29 0.06 0.00 0.31 0.00 0.00 61.69 62.63 3i04 s THR 502 Cb 0.17 -0.22 0.01 0.00 0.01 0.00 0.00 72.50 72.46 3i04 s THR 502 CO 0.23 0.12 0.56 -0.36 -0.69 0.00 0.00 174.62 174.49 3i04 s PHE 503 N 1.73 2.95 -0.03 4.92 2.99 -0.09 -4.90 117.98 125.54 3i04 s PHE 503 Ca -0.02 -0.26 0.07 0.00 0.00 0.00 0.00 56.93 56.72 3i04 s PHE 503 Cb -0.12 -2.28 -0.01 0.00 0.00 0.00 0.00 43.02 40.60 3i04 s PHE 503 CO -0.05 -0.32 -0.24 0.71 -0.00 0.00 0.00 175.22 175.32 3i04 s TYR 504 N -2.35 2.23 0.68 0.36 1.51 -0.75 0.12 117.35 119.16 3i04 s TYR 504 Ca 0.51 -0.52 -0.11 0.00 -1.01 0.00 0.00 57.07 55.94 3i04 s TYR 504 Cb -0.10 -1.45 -0.00 0.00 -0.11 0.00 0.00 41.96 40.30 3i04 s TYR 504 CO 0.33 -0.11 1.07 -1.54 -1.11 0.00 0.00 175.55 174.20 3i04 s SER 505 N -0.38 5.68 -0.03 2.29 1.04 0.34 0.35 113.70 122.98 3i04 s SER 505 Ca 0.04 1.26 -0.01 0.00 0.48 0.00 0.00 55.95 57.72 3i04 s SER 505 Cb -0.11 -2.14 0.03 0.00 0.10 0.00 0.00 66.02 63.90 3i04 s SER 505 CO 0.01 -1.20 0.03 0.00 0.98 0.00 0.00 173.24 173.05 3i04 n VAL 507 N 4.63 1.73 -0.16 0.00 0.24 -0.37 -0.93 118.33 123.48 3i04 n VAL 507 Ca -0.17 -2.37 -0.01 0.00 -2.04 0.00 0.00 64.34 59.75 3i04 n VAL 507 Cb 0.50 -0.10 0.24 0.00 -1.47 0.00 0.00 33.84 33.01 3i04 n VAL 507 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 3i04 h LEU 508 N 0.44 0.79 0.00 1.34 5.85 -1.91 -2.13 115.31 119.70 3i04 h LEU 508 Ca -0.01 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3i04 h LEU 508 Cb 1.09 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.92 3i04 h LEU 508 CO 0.01 0.66 0.00 0.00 -0.34 0.00 0.00 178.44 178.76 3i04 n GLN 510 N -1.23 0.04 0.17 0.00 6.02 -0.80 -0.45 117.38 121.13 3i04 n GLN 510 Ca 0.10 0.45 0.05 0.00 -0.01 0.00 0.00 57.00 57.59 3i04 n GLN 510 Cb 0.13 -1.61 0.48 0.00 1.02 0.00 0.00 30.24 30.27 3i04 n GLN 510 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3i04 h SER 511 N 0.00 0.13 0.00 1.08 4.64 -1.80 -3.29 113.55 114.31 3i04 h SER 511 Ca 0.00 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 3i04 h SER 511 Cb 0.10 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 3i04 h SER 511 CO 0.00 0.23 -1.29 0.49 -0.87 0.00 0.00 176.83 175.39 3i04 n PHE 512 N -4.37 0.00 -3.63 4.77 3.01 -0.51 -4.88 117.46 111.85 3i04 n PHE 512 Ca -0.01 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.16 3i04 n PHE 512 Cb 0.20 -0.17 -0.12 0.00 -0.01 0.00 0.00 39.48 39.38 3i04 n PHE 512 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i04 s ALA 513 N -2.30 2.10 0.56 4.37 0.00 0.41 -2.52 121.76 124.38 3i04 s ALA 513 Ca -0.02 -2.68 0.23 0.00 0.00 0.00 0.00 51.96 49.49 3i04 s ALA 513 Cb 0.03 -1.83 1.52 0.00 0.00 0.00 0.00 23.12 22.84 3i04 s ALA 513 CO 0.22 -2.05 2.16 -1.35 0.00 0.00 0.00 175.76 174.74 3i04 h PRO 514 N 6.27 0.00 -0.01 0.00 0.11 -1.81 -1.30 132.00 135.26 3i04 h PRO 514 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3i04 h PRO 514 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3i04 h PRO 514 CO 0.47 0.00 -0.21 0.09 -0.21 0.00 0.00 178.00 178.14 3i04 n ASN 515 N -4.18 1.68 -4.75 -2.05 3.02 -1.26 -4.82 115.26 102.90 3i04 n ASN 515 Ca -0.01 -1.34 -0.41 0.00 -0.03 0.00 0.00 54.58 52.79 3i04 n ASN 515 Cb 0.18 0.34 -0.03 0.00 -0.61 0.00 0.00 39.78 39.66 3i04 n ASN 515 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3i04 s HIS 516 N -1.56 3.36 -0.08 3.10 2.46 -0.49 -4.40 115.29 117.68 3i04 s HIS 516 Ca 0.13 1.42 -0.00 0.00 0.47 0.00 0.00 55.06 57.08 3i04 s HIS 516 Cb 0.11 -3.48 0.02 0.00 -0.13 0.00 0.00 32.58 29.11 3i04 s HIS 516 CO 0.30 -1.35 -0.05 0.08 -2.47 0.00 0.00 174.74 171.25 3i04 s VAL 517 N -0.35 0.76 0.06 0.89 1.01 -1.26 -4.58 120.40 116.93 3i04 s VAL 517 Ca 0.52 -0.16 -0.13 0.00 0.00 0.00 0.00 61.98 62.21 3i04 s VAL 517 Cb -0.34 -0.80 -0.06 0.00 0.00 0.00 0.00 36.38 35.17 3i04 s VAL 517 CO 0.40 0.31 0.44 0.00 0.00 0.00 0.00 175.10 176.24 3i04 s ILE 519 N -1.29 3.50 -0.18 0.00 -1.09 -1.26 -0.23 121.20 120.65 3i04 s ILE 519 Ca 0.30 -0.74 -0.06 0.00 -2.23 0.00 0.00 60.65 57.92 3i04 s ILE 519 Cb -0.15 -2.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.94 3i04 s ILE 519 CO 0.17 0.20 0.03 -0.69 -1.23 0.00 0.00 174.94 173.41 3i04 s VAL 520 N 1.44 4.49 0.23 2.92 1.01 0.15 -4.87 120.40 125.78 3i04 s VAL 520 Ca 0.03 -0.14 0.06 0.00 0.00 0.00 0.00 61.98 61.93 3i04 s VAL 520 Cb -0.16 -3.01 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 3i04 s VAL 520 CO -0.01 0.47 -0.08 0.42 0.00 0.00 0.00 175.10 175.90 3i04 s THR 521 N 0.41 1.51 0.45 3.92 -4.23 -0.80 -1.80 115.64 115.10 3i04 s THR 521 Ca 0.01 -2.13 0.22 0.00 -1.18 0.00 0.00 61.69 58.61 3i04 s THR 521 Cb -0.13 -2.25 0.42 0.00 1.34 0.00 0.00 72.50 71.88 3i04 s THR 521 CO 0.01 -0.44 1.84 -0.65 -0.54 0.00 0.00 174.62 174.84 3i04 h PRO 522 N 2.45 0.28 -0.39 3.99 0.11 -1.90 -0.60 132.00 135.94 3i04 h PRO 522 Ca -0.39 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3i04 h PRO 522 Cb 1.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3i04 h PRO 522 CO 0.65 0.19 0.00 0.39 -0.21 0.00 0.00 178.00 179.01 3i04 n GLU 523 N -4.46 2.97 -3.55 1.05 1.02 -1.26 -4.74 120.64 111.66 3i04 n GLU 523 Ca 0.21 -2.36 -0.29 0.00 -0.02 0.00 0.00 57.16 54.70 3i04 n GLU 523 Cb 0.83 -1.48 -0.15 0.00 -0.02 0.00 0.00 31.44 30.62 3i04 n GLU 523 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3i04 s ARG 524 N -1.49 0.22 0.81 3.49 3.52 -0.23 -4.54 118.95 120.73 3i04 s ARG 524 Ca 0.32 -0.54 -0.12 0.00 -0.13 0.00 0.00 55.73 55.26 3i04 s ARG 524 Cb 0.20 -1.23 0.08 0.00 -1.56 0.00 0.00 34.95 32.44 3i04 s ARG 524 CO 0.17 -1.00 1.16 0.54 -0.81 0.00 0.00 175.30 175.35 3i04 s VAL 525 N 2.07 2.44 0.45 7.11 0.11 -1.26 -1.90 120.40 129.43 3i04 s VAL 525 Ca 0.09 0.17 -0.25 0.00 -2.93 0.00 0.00 61.98 59.06 3i04 s VAL 525 Cb -0.16 -2.50 -0.08 0.00 -1.53 0.00 0.00 36.38 32.11 3i04 s VAL 525 CO -0.35 -0.16 1.36 -0.83 -3.33 0.00 0.00 175.10 171.79 3i04 s GLY 526 N -2.56 2.91 0.63 6.54 0.00 0.27 -4.61 107.32 110.49 3i04 s GLY 526 Ca 0.68 1.33 0.37 0.00 0.00 0.00 0.00 44.72 47.10 3i04 s GLY 526 CO 0.52 1.91 2.27 0.17 0.00 0.00 0.00 173.10 177.97 3i04 h LEU 527 N 2.27 0.00 -1.17 0.66 8.10 -1.88 0.10 115.31 123.39 3i04 h LEU 527 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.49 3i04 h LEU 527 Cb 1.26 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.48 3i04 h LEU 527 CO 0.61 0.00 0.00 0.00 -4.11 0.00 0.00 178.44 174.94 3i04 n GLY 529 N -0.00 0.49 0.40 0.00 0.00 0.36 -4.67 105.19 101.76 3i04 n GLY 529 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.08 3i04 n GLY 529 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i04 n ALA 530 N 1.00 2.41 -3.65 4.61 0.00 -1.26 -4.91 120.51 118.70 3i04 n ALA 530 Ca 0.00 -0.70 -0.29 0.00 0.00 0.00 0.00 53.44 52.45 3i04 n ALA 530 Cb 0.08 -0.32 -0.15 0.00 0.00 0.00 0.00 19.45 19.06 3i04 n ALA 530 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i04 s VAL 531 N -0.81 0.53 0.59 0.00 1.01 -1.26 -5.02 120.40 115.43 3i04 s VAL 531 Ca 0.13 -1.22 0.01 0.00 0.00 0.00 0.00 61.98 60.89 3i04 s VAL 531 Cb 0.08 -1.41 0.05 0.00 0.00 0.00 0.00 36.38 35.10 3i04 s VAL 531 CO 0.12 -0.71 0.83 -0.94 0.00 0.00 0.00 175.10 174.39 3i04 s SER 532 N 1.73 5.08 0.22 3.32 1.04 -1.26 -0.56 113.70 123.27 3i04 s SER 532 Ca 0.10 -0.05 -0.07 0.00 0.48 0.00 0.00 55.95 56.41 3i04 s SER 532 Cb -0.17 -0.73 0.36 0.00 0.10 0.00 0.00 66.02 65.58 3i04 s SER 532 CO -0.28 -1.30 1.73 -0.25 0.98 0.00 0.00 173.24 174.12 3i04 h TRP 533 N -0.08 0.42 -0.41 5.02 7.01 -1.88 -1.10 115.95 124.92 3i04 h TRP 533 Ca -0.41 0.03 -0.14 0.00 2.11 0.00 0.00 58.89 60.49 3i04 h TRP 533 Cb 1.29 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 28.26 3i04 h TRP 533 CO 0.28 0.06 -0.29 -0.07 -2.79 0.00 0.00 178.44 175.63 3i04 h LEU 534 N 0.40 0.92 -0.69 0.65 3.38 -1.95 0.36 115.31 118.39 3i04 h LEU 534 Ca 0.36 -0.37 0.07 0.00 0.09 0.00 0.00 57.88 58.03 3i04 h LEU 534 Cb 0.50 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 3i04 h LEU 534 CO -0.36 1.14 0.37 0.44 0.09 0.00 0.00 178.44 180.11 3i04 h ASP 535 N 0.75 0.52 0.14 -0.43 3.32 -1.77 0.13 116.42 119.08 3i04 h ASP 535 Ca 0.09 0.04 -0.21 0.00 0.02 0.00 0.00 57.03 56.97 3i04 h ASP 535 Cb 0.85 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.34 3i04 h ASP 535 CO 0.07 0.32 -0.82 0.00 -1.72 0.00 0.00 179.24 177.10 3i04 h ALA 536 N 1.38 0.42 -0.13 3.45 0.00 -0.97 -1.78 119.26 121.65 3i04 h ALA 536 Ca 0.32 -0.63 0.03 0.00 0.00 0.00 0.00 54.91 54.63 3i04 h ALA 536 Cb 0.26 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3i04 h ALA 536 CO -0.22 0.74 -0.07 -0.22 0.00 0.00 0.00 179.25 179.49 3i04 h LYS 537 N 0.35 -0.06 -0.38 0.00 3.64 -0.60 -1.08 116.57 118.44 3i04 h LYS 537 Ca -0.06 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.40 3i04 h LYS 537 Cb 1.43 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 33.20 3i04 h LYS 537 CO 0.15 -0.04 -0.00 0.00 -2.27 0.00 0.00 179.45 177.29 3i04 h ALA 538 N 1.06 0.34 -0.60 5.00 0.00 -0.65 -1.13 119.26 123.29 3i04 h ALA 538 Ca 0.08 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.16 3i04 h ALA 538 Cb 0.17 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 3i04 h ALA 538 CO -0.17 -0.40 0.31 1.03 0.00 0.00 0.00 179.25 180.02 3i04 h SER 539 N 0.10 0.44 -0.70 0.00 0.87 -1.10 -0.19 113.55 112.98 3i04 h SER 539 Ca 0.19 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.76 3i04 h SER 539 Cb 0.26 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 3i04 h SER 539 CO -0.32 0.29 0.35 0.22 -0.53 0.00 0.00 176.83 176.84 3i04 h TYR 540 N 0.58 0.98 -0.91 2.24 3.20 -0.76 -1.47 116.97 120.83 3i04 h TYR 540 Ca 0.27 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.10 3i04 h TYR 540 Cb 0.19 -0.31 -0.04 0.00 1.54 0.00 0.00 36.73 38.11 3i04 h TYR 540 CO -0.10 0.72 0.56 0.93 -1.64 0.00 0.00 178.16 178.63 3i04 h GLU 541 N 0.96 1.22 -0.70 1.82 4.39 -0.43 -2.31 114.58 119.52 3i04 h GLU 541 Ca 0.24 -0.10 -0.05 0.00 0.34 0.00 0.00 59.36 59.79 3i04 h GLU 541 Cb 0.09 -0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 28.45 3i04 h GLU 541 CO -0.03 0.84 0.25 0.82 -1.16 0.00 0.00 179.01 179.73 3i04 h ILE 542 N 1.25 1.25 -1.59 3.13 2.04 -0.78 -3.43 117.51 119.37 3i04 h ILE 542 Ca 0.33 -0.82 -0.10 0.00 1.00 0.00 0.00 64.86 65.27 3i04 h ILE 542 Cb -0.08 0.44 -0.27 0.00 -0.74 0.00 0.00 36.82 36.17 3i04 h ILE 542 CO -0.06 0.32 -0.44 0.21 0.00 0.00 0.00 178.15 178.18 3i04 s ASN 543 N -6.44 -0.20 0.43 1.72 2.47 -0.58 -4.97 114.94 107.36 3i04 s ASN 543 Ca -0.11 0.21 0.19 0.00 0.42 0.00 0.00 52.86 53.57 3i04 s ASN 543 Cb 0.16 1.40 0.99 0.00 -1.45 0.00 0.00 41.25 42.35 3i04 s ASN 543 CO 0.83 -0.30 1.91 0.45 -3.72 0.00 0.00 177.10 176.26 3i04 h HIS 544 N 8.13 0.00 -0.80 0.43 3.86 -1.76 -2.11 115.15 122.89 3i04 h HIS 544 Ca -0.16 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.77 3i04 h HIS 544 Cb 1.15 0.00 -0.17 0.00 1.06 0.00 0.00 27.41 29.45 3i04 h HIS 544 CO 0.16 0.27 0.36 0.00 0.86 0.00 0.00 177.93 179.57 3i04 n ALA 545 N -2.37 4.82 -1.40 2.45 0.00 -1.26 -4.93 120.51 117.82 3i04 n ALA 545 Ca -0.02 -2.47 0.00 0.00 0.00 0.00 0.00 53.44 50.96 3i04 n ALA 545 Cb 0.35 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3i04 n ALA 545 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i04 n GLY 546 N -0.35 0.29 0.11 0.00 0.00 -0.79 -4.97 105.19 99.48 3i04 n GLY 546 Ca 0.45 -1.79 0.15 0.00 0.00 0.00 0.00 46.02 44.83 3i04 n GLY 546 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i04 n PRO 547 N -0.02 1.15 -4.20 1.61 -0.04 -1.26 -4.66 135.00 127.57 3i04 n PRO 547 Ca 0.00 -0.22 -0.29 0.00 -0.04 0.00 0.00 63.50 62.95 3i04 n PRO 547 Cb 0.00 -1.48 -0.17 0.00 -0.04 0.00 0.00 33.50 31.81 3i04 n PRO 547 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3i04 s ASN 548 N -1.97 2.56 -0.01 3.54 -0.87 -1.26 -1.24 114.94 115.69 3i04 s ASN 548 Ca 0.45 -0.45 0.08 0.00 -1.57 0.00 0.00 52.86 51.36 3i04 s ASN 548 Cb 0.21 -1.13 -0.02 0.00 -0.02 0.00 0.00 41.25 40.29 3i04 s ASN 548 CO 0.35 -0.03 -0.24 -1.10 -2.57 0.00 0.00 177.10 173.51 3i04 s GLN 549 N 1.28 1.96 0.13 -0.60 -0.21 -1.23 -4.25 119.66 116.74 3i04 s GLN 549 Ca 0.00 -0.89 -0.30 0.00 0.02 0.00 0.00 55.36 54.20 3i04 s GLN 549 Cb -0.14 -1.91 -0.06 0.00 1.00 0.00 0.00 33.01 31.90 3i04 s GLN 549 CO -0.07 0.52 1.03 -1.25 -2.12 0.00 0.00 175.29 173.40 3i04 s PRO 550 N -0.61 4.64 -0.29 2.91 0.04 -1.26 -0.50 135.00 139.93 3i04 s PRO 550 Ca 0.09 1.57 -0.03 0.00 0.04 0.00 0.00 61.00 62.68 3i04 s PRO 550 Cb -0.09 -3.34 0.04 0.00 0.04 0.00 0.00 34.50 31.15 3i04 s PRO 550 CO -0.01 0.13 -0.00 0.42 0.04 0.00 0.00 177.00 177.58 3i04 s ILE 551 N -0.01 3.11 0.14 0.56 1.01 0.33 -4.91 121.20 121.42 3i04 s ILE 551 Ca 0.49 -1.21 -0.34 0.00 0.00 0.00 0.00 60.65 59.58 3i04 s ILE 551 Cb -0.26 -2.72 -0.14 0.00 0.01 0.00 0.00 42.46 39.35 3i04 s ILE 551 CO 0.32 -0.02 1.54 -2.65 0.00 0.00 0.00 174.94 174.13 3i04 n PRO 552 N 4.67 1.95 -2.76 2.79 -0.02 -1.26 -0.91 135.00 139.46 3i04 n PRO 552 Ca -0.14 0.70 -0.43 0.00 -2.02 0.00 0.00 63.50 61.61 3i04 n PRO 552 Cb 0.45 -2.45 -0.00 0.00 -0.02 0.00 0.00 33.50 31.47 3i04 n PRO 552 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3i04 s LYS 553 N 0.91 3.97 0.32 -0.52 2.20 0.95 -4.59 119.74 122.99 3i04 s LYS 553 Ca 0.80 -2.17 0.03 0.00 -0.36 0.00 0.00 55.97 54.28 3i04 s LYS 553 Cb -0.73 -5.27 -0.05 0.00 -1.51 0.00 0.00 37.83 30.26 3i04 s LYS 553 CO 0.40 -2.01 0.09 -1.21 -0.36 0.00 0.00 175.35 172.26 3i04 s GLU 554 N 3.02 1.64 -1.50 4.03 2.02 -1.26 -4.89 118.70 121.76 3i04 s GLU 554 Ca 0.47 -1.93 -0.12 0.00 0.02 0.00 0.00 54.97 53.41 3i04 s GLU 554 Cb 0.00 -0.63 0.07 0.00 0.10 0.00 0.00 34.13 33.67 3i04 s GLU 554 CO 0.02 -0.28 0.97 0.41 0.02 0.00 0.00 175.26 176.40 3i04 n GLY 555 N -0.67 -0.48 3.63 -1.39 0.00 -1.26 -2.87 105.19 102.15 3i04 n GLY 555 Ca -0.02 0.19 -0.49 0.00 0.00 0.00 0.00 46.02 45.70 3i04 n GLY 555 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i04 n GLU 556 N -4.67 1.67 -0.08 1.61 2.13 -1.26 -0.92 120.64 119.11 3i04 n GLU 556 Ca 0.01 0.60 -0.14 0.00 0.66 0.00 0.00 57.16 58.29 3i04 n GLU 556 Cb 0.54 -2.30 -0.07 0.00 0.27 0.00 0.00 31.44 29.89 3i04 n GLU 556 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3i04 n ILE 557 N 2.86 0.91 -3.32 6.31 5.41 0.94 -4.86 119.36 127.61 3i04 n ILE 557 Ca 0.17 -0.30 -0.08 0.00 1.00 0.00 0.00 62.75 63.55 3i04 n ILE 557 Cb 0.25 -1.35 -0.07 0.00 -0.71 0.00 0.00 39.64 37.76 3i04 n ILE 557 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3i04 s ASP 558 N -5.96 0.12 0.25 4.38 -1.08 -1.02 -4.99 116.67 108.37 3i04 s ASP 558 Ca -0.22 0.12 0.24 0.00 -0.52 0.00 0.00 52.55 52.17 3i04 s ASP 558 Cb 0.07 1.22 0.97 0.00 -1.46 0.00 0.00 42.92 43.72 3i04 s ASP 558 CO 0.33 -0.31 1.71 -0.81 0.52 0.00 0.00 175.17 176.62 3i04 n PRO 559 N 5.37 0.20 -0.07 4.34 -0.04 -1.26 -1.16 135.00 142.37 3i04 n PRO 559 Ca -0.02 0.41 -0.20 0.00 -0.04 0.00 0.00 63.50 63.64 3i04 n PRO 559 Cb 0.50 -1.87 -0.12 0.00 -0.04 0.00 0.00 33.50 31.97 3i04 n PRO 559 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3i04 h ILE 560 N 0.00 1.06 0.00 0.52 1.08 -1.96 -3.37 117.51 114.84 3i04 h ILE 560 Ca 0.00 -2.26 -0.13 0.00 -0.39 0.00 0.00 64.86 62.08 3i04 h ILE 560 Cb 0.39 2.52 -0.02 0.00 -3.07 0.00 0.00 36.82 36.64 3i04 h ILE 560 CO 0.00 0.47 -0.62 0.11 -0.69 0.00 0.00 178.15 177.42 3i04 h LYS 561 N -0.81 0.00 -1.05 2.37 1.57 -1.93 -3.37 116.57 113.36 3i04 h LYS 561 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 3i04 h LYS 561 Cb 1.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.69 3i04 h LYS 561 CO -0.11 0.62 0.00 0.41 -0.57 0.00 0.00 179.45 179.80 3i04 n GLY 562 N 0.66 0.91 3.14 3.86 0.00 -0.31 -0.65 105.19 112.80 3i04 n GLY 562 Ca -0.00 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 3i04 n GLY 562 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i04 s ILE 563 N -2.34 1.93 -0.01 -0.61 1.01 -0.46 -0.82 121.20 119.90 3i04 s ILE 563 Ca 0.00 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 59.78 3i04 s ILE 563 Cb 0.00 -1.72 -0.01 0.00 0.01 0.00 0.00 42.46 40.74 3i04 s ILE 563 CO 0.00 0.52 -0.11 0.26 0.00 0.00 0.00 174.94 175.62 3i04 s TRP 564 N 0.91 0.96 0.29 3.97 0.51 -1.26 -0.04 118.94 124.27 3i04 s TRP 564 Ca -0.06 -0.19 -0.01 0.00 -2.12 0.00 0.00 56.10 53.73 3i04 s TRP 564 Cb -0.15 -0.63 0.42 0.00 -0.81 0.00 0.00 33.47 32.30 3i04 s TRP 564 CO -0.03 -0.03 1.83 -0.22 -0.51 0.00 0.00 176.95 177.99 3i04 h LYS 565 N 5.95 0.80 -0.61 4.98 3.64 -0.95 -1.62 116.57 128.76 3i04 h LYS 565 Ca -0.32 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 58.85 3i04 h LYS 565 Cb 1.17 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.85 3i04 h LYS 565 CO 0.49 0.73 0.17 0.66 -2.27 0.00 0.00 179.45 179.23 3i04 h SER 566 N 0.77 0.88 -0.20 4.20 4.64 -1.78 0.76 113.55 122.81 3i04 h SER 566 Ca 0.17 -0.16 -0.05 0.00 -0.47 0.00 0.00 61.79 61.29 3i04 h SER 566 Cb 0.30 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 3i04 h SER 566 CO -0.00 0.84 -0.06 0.58 -0.87 0.00 0.00 176.83 177.32 3i04 h VAL 567 N 0.90 1.29 -0.66 0.95 2.07 -1.73 -2.05 116.25 117.02 3i04 h VAL 567 Ca 0.20 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.67 3i04 h VAL 567 Cb 0.29 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 3i04 h VAL 567 CO -0.00 0.32 0.43 0.78 0.02 0.00 0.00 177.57 179.12 3i04 h ASN 568 N 0.12 0.77 -0.10 0.57 2.35 -1.06 -1.41 115.58 116.81 3i04 h ASN 568 Ca 0.05 -0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.69 3i04 h ASN 568 Cb 0.51 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 3i04 h ASN 568 CO 0.02 0.57 -0.17 0.44 -1.65 0.00 0.00 177.43 176.64 3i04 h ASP 569 N 0.90 0.47 -0.06 5.81 3.32 -0.86 -1.76 116.42 124.24 3i04 h ASP 569 Ca 0.24 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 3i04 h ASP 569 Cb -0.09 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.33 3i04 h ASP 569 CO -0.05 0.67 -0.02 0.22 -1.72 0.00 0.00 179.24 178.33 3i04 h TYR 570 N 0.44 0.15 -0.64 4.55 3.20 -1.00 -3.25 116.97 120.42 3i04 h TYR 570 Ca 0.08 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.92 3i04 h TYR 570 Cb 0.55 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.76 3i04 h TYR 570 CO 0.02 0.47 0.42 1.25 -1.64 0.00 0.00 178.16 178.68 3i04 h LEU 571 N -0.22 0.71 -0.38 2.82 6.46 -1.17 -0.48 115.31 123.05 3i04 h LEU 571 Ca 0.02 -0.01 0.08 0.00 -0.12 0.00 0.00 57.88 57.84 3i04 h LEU 571 Cb 0.43 -0.17 -0.08 0.00 -0.73 0.00 0.00 40.66 40.11 3i04 h LEU 571 CO 0.01 0.51 -0.17 0.22 -0.62 0.00 0.00 178.44 178.39 3i04 h TYR 572 N 0.85 -0.40 0.20 1.25 3.20 -1.33 -0.56 116.97 120.17 3i04 h TYR 572 Ca 0.24 0.04 -0.32 0.00 3.14 0.00 0.00 58.73 61.83 3i04 h TYR 572 Cb -0.08 0.24 0.03 0.00 1.54 0.00 0.00 36.73 38.46 3i04 h TYR 572 CO -0.03 -0.24 -1.39 1.15 -1.64 0.00 0.00 178.16 176.00 3i04 h THR 573 N -0.10 1.32 0.00 1.81 2.02 -1.54 0.19 112.91 116.62 3i04 h THR 573 Ca 0.19 -2.72 -0.04 0.00 0.77 0.00 0.00 66.41 64.61 3i04 h THR 573 Cb 0.38 2.95 -0.01 0.00 -1.74 0.00 0.00 68.15 69.74 3i04 h THR 573 CO -0.44 0.81 -0.18 0.00 0.37 0.00 0.00 175.52 176.08 3i04 h ALA 574 N 0.27 1.26 -0.40 6.16 0.00 -0.99 -2.15 119.26 123.41 3i04 h ALA 574 Ca -0.22 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3i04 h ALA 574 Cb 2.08 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.84 3i04 h ALA 574 CO 0.26 0.23 0.00 -1.13 0.00 0.00 0.00 179.25 178.60 3i04 n SER 575 N -3.69 2.47 -3.00 0.00 3.41 -0.23 -4.84 113.62 107.74 3i04 n SER 575 Ca -0.01 -1.94 -0.20 0.00 -0.26 0.00 0.00 58.87 56.46 3i04 n SER 575 Cb 0.30 -0.27 0.06 0.00 -0.26 0.00 0.00 64.21 64.05 3i04 n SER 575 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3i04 n ASN 576 N 0.85 -5.60 -1.12 4.04 3.02 -0.81 -2.81 115.26 112.84 3i04 n ASN 576 Ca 0.16 -0.42 -0.14 0.00 -0.03 0.00 0.00 54.58 54.15 3i04 n ASN 576 Cb 0.41 -4.23 -0.06 0.00 -0.61 0.00 0.00 39.78 35.30 3i04 n ASN 576 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i04 n ARG 577 N -4.14 -0.99 0.11 3.52 1.74 0.67 -4.92 116.66 112.65 3i04 n ARG 577 Ca -0.00 0.98 0.06 0.00 -0.77 0.00 0.00 57.85 58.12 3i04 n ARG 577 Cb 0.55 -5.09 0.01 0.00 -1.02 0.00 0.00 32.46 26.91 3i04 n ARG 577 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 3i04 h ASN 578 N 0.00 0.00 -4.14 0.55 2.35 -1.71 -3.46 115.58 109.18 3i04 h ASN 578 Ca -0.29 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 54.99 3i04 h ASN 578 Cb 0.94 0.00 -0.29 0.00 0.05 0.00 0.00 38.32 39.02 3i04 h ASN 578 CO 0.42 0.28 -0.81 -0.76 -1.65 0.00 0.00 177.43 174.92 3i04 s LEU 579 N -5.91 2.00 -0.11 1.61 1.43 -1.26 -5.04 118.68 111.40 3i04 s LEU 579 Ca 0.01 -0.24 0.19 0.00 -1.03 0.00 0.00 54.13 53.06 3i04 s LEU 579 Cb 0.08 -0.68 -0.28 0.00 0.03 0.00 0.00 46.19 45.34 3i04 s LEU 579 CO 0.76 0.15 0.25 -0.62 0.23 0.00 0.00 176.35 177.13 3i04 n GLU 580 N 2.81 0.75 -3.72 1.70 1.02 -1.26 -3.38 120.64 118.57 3i04 n GLU 580 Ca -0.15 -0.09 -0.14 0.00 -0.02 0.00 0.00 57.16 56.76 3i04 n GLU 580 Cb 0.55 -1.49 -0.09 0.00 -0.02 0.00 0.00 31.44 30.39 3i04 n GLU 580 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3i04 s GLN 581 N -2.93 0.64 0.01 3.49 0.74 -1.26 -4.68 119.66 115.67 3i04 s GLN 581 Ca -0.09 0.21 0.03 0.00 0.05 0.00 0.00 55.36 55.57 3i04 s GLN 581 Cb 0.09 0.30 -0.01 0.00 1.10 0.00 0.00 33.01 34.49 3i04 s GLN 581 CO 0.82 -0.15 -0.10 0.54 -0.55 0.00 0.00 175.29 175.85 3i04 s VAL 582 N -0.62 0.79 -0.32 1.34 0.11 -1.26 -4.87 120.40 115.57 3i04 s VAL 582 Ca -0.07 -0.61 -0.10 0.00 -2.93 0.00 0.00 61.98 58.27 3i04 s VAL 582 Cb -0.04 -0.70 -0.01 0.00 -1.53 0.00 0.00 36.38 34.11 3i04 s VAL 582 CO 0.03 0.09 0.17 0.00 -3.33 0.00 0.00 175.10 172.07 3i04 h LEU 584 N 8.38 0.00 -2.67 0.00 3.38 -0.60 -3.28 115.31 120.52 3i04 h LEU 584 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3i04 h LEU 584 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3i04 h LEU 584 CO 0.62 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 177.93 3i04 n TYR 585 N -3.09 0.22 -4.17 1.13 0.53 0.18 -4.86 117.16 107.09 3i04 n TYR 585 Ca 0.01 -0.42 -0.16 0.00 -1.02 0.00 0.00 57.90 56.31 3i04 n TYR 585 Cb 0.34 -0.03 -0.11 0.00 -1.03 0.00 0.00 39.34 38.51 3i04 n TYR 585 CO 0.00 0.00 0.00 -0.08 -1.02 0.00 0.00 176.86 175.76 3i04 s THR 586 N -0.92 1.00 -0.19 -0.72 -1.32 -1.24 -2.05 115.64 110.21 3i04 s THR 586 Ca 0.12 -1.48 0.19 0.00 -1.21 0.00 0.00 61.69 59.30 3i04 s THR 586 Cb 0.06 -1.20 -0.02 0.00 -1.51 0.00 0.00 72.50 69.83 3i04 s THR 586 CO 0.09 -0.41 1.08 0.25 -2.21 0.00 0.00 174.62 173.41 3i04 h LEU 587 N 3.89 0.00 0.00 9.08 5.85 -1.93 -3.41 115.31 128.80 3i04 h LEU 587 Ca -0.39 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.33 3i04 h LEU 587 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 3i04 h LEU 587 CO 0.47 0.35 -1.27 0.23 -0.34 0.00 0.00 178.44 177.89 3i04 n MET 588 N -2.92 0.92 -3.91 1.25 2.81 -1.26 -0.85 117.12 113.16 3i04 n MET 588 Ca -0.03 -0.07 -0.17 0.00 -1.81 0.00 0.00 57.70 55.61 3i04 n MET 588 Cb 0.71 -1.37 -0.16 0.00 -0.71 0.00 0.00 33.22 31.69 3i04 n MET 588 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 3i04 s GLU 589 N -2.92 0.30 -1.03 0.03 2.12 -1.26 -4.65 118.70 111.28 3i04 s GLU 589 Ca 0.01 0.09 -0.10 0.00 0.36 0.00 0.00 54.97 55.33 3i04 s GLU 589 Cb 0.12 -0.50 0.01 0.00 0.26 0.00 0.00 34.13 34.02 3i04 s GLU 589 CO 0.73 -0.15 0.19 0.09 -0.54 0.00 0.00 175.26 175.58 3i04 n ASN 590 N 4.22 -0.69 -4.67 -1.70 3.02 -1.26 -4.22 115.26 109.96 3i04 n ASN 590 Ca -0.25 -0.94 -0.30 0.00 -0.03 0.00 0.00 54.58 53.06 3i04 n ASN 590 Cb 0.50 -1.15 0.16 0.00 -0.61 0.00 0.00 39.78 38.68 3i04 n ASN 590 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3i04 s PRO 591 N -6.43 0.91 0.49 3.52 0.04 -1.26 -0.76 135.00 131.51 3i04 s PRO 591 Ca 0.14 1.04 -0.23 0.00 0.04 0.00 0.00 61.00 61.99 3i04 s PRO 591 Cb -0.08 -1.75 -0.06 0.00 0.04 0.00 0.00 34.50 32.65 3i04 s PRO 591 CO 0.72 -2.54 1.31 1.41 0.04 0.00 0.00 177.00 177.94 3i04 s MET 592 N -4.77 3.49 0.78 4.56 1.75 -1.26 -4.76 119.30 119.08 3i04 s MET 592 Ca 0.65 2.14 -0.06 0.00 -1.25 0.00 0.00 55.69 57.16 3i04 s MET 592 Cb -0.20 -2.43 0.13 0.00 2.84 0.00 0.00 34.83 35.17 3i04 s MET 592 CO 0.58 -0.88 1.08 0.95 -0.65 0.00 0.00 175.02 176.11 3i04 s THR 593 N -1.34 2.15 0.11 10.11 -4.23 -1.26 -4.72 115.64 116.46 3i04 s THR 593 Ca 0.66 -0.36 0.03 0.00 -1.18 0.00 0.00 61.69 60.84 3i04 s THR 593 Cb -0.38 -2.80 -0.04 0.00 1.34 0.00 0.00 72.50 70.63 3i04 s THR 593 CO 0.46 0.00 -0.08 -0.44 -0.54 0.00 0.00 174.62 174.02 3i04 s SER 594 N -4.72 1.37 0.00 3.99 0.01 -1.26 -4.86 113.70 108.23 3i04 s SER 594 Ca 0.67 -0.94 0.00 0.00 1.31 0.00 0.00 55.95 56.99 3i04 s SER 594 Cb -0.06 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.21 3i04 s SER 594 CO 0.47 -0.37 0.00 0.00 0.41 0.00 0.00 173.24 173.75 3i04 n GLY 596 N 2.03 0.04 1.01 0.00 0.00 -1.26 -2.39 105.19 104.62 3i04 n GLY 596 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 3i04 n GLY 596 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i04 n PHE 598 N 1.15 1.41 -0.01 0.00 1.16 -1.26 -4.42 117.46 115.50 3i04 n PHE 598 Ca 0.19 0.65 -0.02 0.00 -1.87 0.00 0.00 57.45 56.40 3i04 n PHE 598 Cb 0.51 -2.30 0.24 0.00 -1.61 0.00 0.00 39.48 36.31 3i04 n PHE 598 CO 0.00 0.00 0.00 0.93 -1.87 0.00 0.00 176.76 175.82 3i04 h GLU 599 N 3.26 0.54 -3.56 3.97 5.08 -1.20 -3.43 114.58 119.24 3i04 h GLU 599 Ca -0.43 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 57.71 3i04 h GLU 599 Cb 1.33 -0.06 -0.13 0.00 0.50 0.00 0.00 28.75 30.40 3i04 h GLU 599 CO 0.69 0.65 -0.17 0.00 -1.00 0.00 0.00 179.01 179.18 3i04 s ALA 600 N -4.76 -0.61 -0.04 3.43 0.00 -0.86 -1.42 121.76 117.49 3i04 s ALA 600 Ca -0.07 -0.35 0.02 0.00 0.00 0.00 0.00 51.96 51.56 3i04 s ALA 600 Cb 0.15 0.69 0.01 0.00 0.00 0.00 0.00 23.12 23.97 3i04 s ALA 600 CO 0.78 -0.64 -0.10 0.42 0.00 0.00 0.00 175.76 176.23 3i04 s ILE 601 N -3.85 0.89 -0.05 0.00 1.01 -0.31 -0.76 121.20 118.13 3i04 s ILE 601 Ca 0.07 -0.37 -0.14 0.00 0.00 0.00 0.00 60.65 60.21 3i04 s ILE 601 Cb 0.02 -0.81 -0.05 0.00 0.01 0.00 0.00 42.46 41.63 3i04 s ILE 601 CO -0.09 0.29 0.36 -0.04 0.00 0.00 0.00 174.94 175.46 3i04 s MET 602 N 0.49 3.93 -0.07 2.79 -1.94 0.97 -2.14 119.30 123.33 3i04 s MET 602 Ca -0.09 0.30 0.00 0.00 -1.71 0.00 0.00 55.69 54.19 3i04 s MET 602 Cb -0.12 -3.26 0.02 0.00 2.01 0.00 0.00 34.83 33.48 3i04 s MET 602 CO 0.02 0.60 -0.04 0.00 -0.01 0.00 0.00 175.02 175.59 3i04 s ALA 603 N -0.73 0.86 0.56 3.03 0.00 -0.65 -0.43 121.76 124.40 3i04 s ALA 603 Ca 0.22 -0.21 -0.21 0.00 0.00 0.00 0.00 51.96 51.76 3i04 s ALA 603 Cb -0.15 -0.65 -0.05 0.00 0.00 0.00 0.00 23.12 22.27 3i04 s ALA 603 CO 0.11 -0.24 1.23 0.44 0.00 0.00 0.00 175.76 177.30 3i04 n ILE 604 N 4.60 3.80 -3.64 0.00 -6.64 0.84 -1.23 119.36 117.08 3i04 n ILE 604 Ca -0.16 -0.50 -0.29 0.00 -1.77 0.00 0.00 62.75 60.03 3i04 n ILE 604 Cb 0.50 -1.49 -0.12 0.00 -1.44 0.00 0.00 39.64 37.09 3i04 n ILE 604 CO 0.00 0.00 0.00 -0.76 -1.77 0.00 0.00 176.55 174.02 3i04 s LEU 605 N -2.96 2.40 0.30 7.28 1.43 0.28 -4.82 118.68 122.59 3i04 s LEU 605 Ca 0.73 -2.69 0.03 0.00 -1.03 0.00 0.00 54.13 51.17 3i04 s LEU 605 Cb -0.43 -0.90 0.61 0.00 0.03 0.00 0.00 46.19 45.51 3i04 s LEU 605 CO 0.48 -0.25 1.84 -0.65 0.23 0.00 0.00 176.35 178.01 3i04 h PRO 606 N 6.56 0.90 0.00 1.29 0.11 -1.79 -1.19 132.00 137.88 3i04 h PRO 606 Ca 0.05 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3i04 h PRO 606 Cb 0.92 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.83 3i04 h PRO 606 CO 0.45 0.60 0.00 0.39 -0.21 0.00 0.00 178.00 179.23 3i04 n GLU 607 N -4.61 0.13 -0.10 1.05 4.71 -1.26 -1.57 120.64 118.99 3i04 n GLU 607 Ca 0.19 0.44 0.05 0.00 -0.01 0.00 0.00 57.16 57.82 3i04 n GLU 607 Cb 0.38 -1.78 0.10 0.00 -1.01 0.00 0.00 31.44 29.13 3i04 n GLU 607 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3i04 n ASN 609 N 0.45 -2.96 0.00 0.00 5.15 -0.61 -4.25 115.26 113.04 3i04 n ASN 609 Ca 0.09 0.26 0.00 0.00 -0.60 0.00 0.00 54.58 54.33 3i04 n ASN 609 Cb 0.35 -2.80 0.00 0.00 -0.53 0.00 0.00 39.78 36.80 3i04 n ASN 609 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i04 n GLY 610 N -0.17 4.75 3.10 8.20 0.00 -1.14 -4.57 105.19 115.37 3i04 n GLY 610 Ca -0.11 -0.64 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 3i04 n GLY 610 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i04 s ILE 611 N 0.85 0.72 0.26 -0.61 -4.36 0.25 -0.55 121.20 117.76 3i04 s ILE 611 Ca 0.00 -1.18 0.08 0.00 -0.26 0.00 0.00 60.65 59.28 3i04 s ILE 611 Cb 0.00 -0.79 -0.04 0.00 1.25 0.00 0.00 42.46 42.88 3i04 s ILE 611 CO 0.00 -0.36 0.17 0.00 0.24 0.00 0.00 174.94 174.99 3i04 s MET 612 N -1.72 2.79 0.02 0.37 0.23 -0.37 -0.63 119.30 119.99 3i04 s MET 612 Ca -0.07 -1.15 0.03 0.00 -1.03 0.00 0.00 55.69 53.48 3i04 s MET 612 Cb -0.09 -2.48 -0.01 0.00 -1.53 0.00 0.00 34.83 30.71 3i04 s MET 612 CO 0.01 0.36 -0.10 0.42 -2.03 0.00 0.00 175.02 173.68 3i04 s ILE 613 N -2.19 0.78 0.13 3.16 1.01 -0.17 -1.64 121.20 122.28 3i04 s ILE 613 Ca 0.33 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 60.30 3i04 s ILE 613 Cb -0.07 -0.70 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 3i04 s ILE 613 CO 0.24 0.03 0.05 0.28 0.00 0.00 0.00 174.94 175.55 3i04 s THR 614 N -0.60 0.13 0.23 2.92 -1.32 -0.91 -3.90 115.64 112.20 3i04 s THR 614 Ca 0.00 -1.91 0.03 0.00 -1.21 0.00 0.00 61.69 58.60 3i04 s THR 614 Cb -0.06 -2.04 -0.05 0.00 -1.51 0.00 0.00 72.50 68.84 3i04 s THR 614 CO 0.00 -0.48 0.00 0.42 -2.21 0.00 0.00 174.62 172.36 3i04 s THR 615 N -4.03 0.99 0.27 5.08 -4.23 -1.26 -1.16 115.64 111.30 3i04 s THR 615 Ca 0.24 -2.03 -0.02 0.00 -1.18 0.00 0.00 61.69 58.70 3i04 s THR 615 Cb 0.07 -2.36 0.27 0.00 1.34 0.00 0.00 72.50 71.83 3i04 s THR 615 CO 0.02 -0.31 1.89 -0.09 -0.54 0.00 0.00 174.62 175.59 3i04 h ARG 616 N 2.47 1.14 0.00 3.99 2.43 -1.52 -1.49 114.38 121.40 3i04 h ARG 616 Ca -0.38 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 3i04 h ARG 616 Cb 1.22 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 3i04 h ARG 616 CO 0.64 0.76 0.00 -0.25 -1.51 0.00 0.00 179.97 179.61 3i04 n ASP 617 N -4.49 0.49 -4.50 -3.80 8.00 -1.26 -4.70 116.55 106.29 3i04 n ASP 617 Ca 0.15 0.56 -0.43 0.00 0.71 0.00 0.00 54.79 55.78 3i04 n ASP 617 Cb 0.17 -0.69 -0.04 0.00 -0.02 0.00 0.00 41.12 40.54 3i04 n ASP 617 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3i04 s HIS 618 N -3.10 2.78 0.33 1.24 2.46 -0.56 -4.92 115.29 113.53 3i04 s HIS 618 Ca 0.10 -0.18 0.08 0.00 0.47 0.00 0.00 55.06 55.53 3i04 s HIS 618 Cb 0.13 -4.08 0.59 0.00 -0.13 0.00 0.00 32.58 29.09 3i04 s HIS 618 CO 0.52 -1.40 1.79 0.00 -2.47 0.00 0.00 174.74 173.17 3i04 h ALA 619 N 9.35 1.27 -2.35 1.58 0.00 -1.84 -3.39 119.26 123.87 3i04 h ALA 619 Ca -0.27 -0.33 -0.49 0.00 0.00 0.00 0.00 54.91 53.82 3i04 h ALA 619 Cb 1.07 -0.09 0.13 0.00 0.00 0.00 0.00 17.79 18.90 3i04 h ALA 619 CO 1.10 0.49 0.30 0.20 0.00 0.00 0.00 179.25 181.35 3i04 s GLY 620 N -4.14 1.64 0.49 0.00 0.00 -1.26 -4.67 107.32 99.37 3i04 s GLY 620 Ca -0.05 -0.02 -0.23 0.00 0.00 0.00 0.00 44.72 44.42 3i04 s GLY 620 CO 0.76 0.40 1.20 -0.13 0.00 0.00 0.00 173.10 175.33 3i04 n MET 621 N -3.59 1.59 -4.39 2.90 1.56 -1.26 -4.44 117.12 109.48 3i04 n MET 621 Ca 0.07 0.58 -0.20 0.00 -0.27 0.00 0.00 57.70 57.88 3i04 n MET 621 Cb 0.55 -2.35 -0.10 0.00 2.15 0.00 0.00 33.22 33.47 3i04 n MET 621 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3i04 s THR 622 N -1.30 1.77 -0.97 1.12 -4.23 -1.20 -4.74 115.64 106.09 3i04 s THR 622 Ca 0.67 -2.20 0.06 0.00 -1.18 0.00 0.00 61.69 59.04 3i04 s THR 622 Cb -0.47 -2.23 0.05 0.00 1.34 0.00 0.00 72.50 71.19 3i04 s THR 622 CO 0.53 -0.46 1.18 -2.65 -0.54 0.00 0.00 174.62 172.69 3i04 n PRO 623 N -0.48 0.01 0.03 3.99 -0.02 -0.89 -1.10 135.00 136.53 3i04 n PRO 623 Ca -0.07 0.42 0.11 0.00 -2.02 0.00 0.00 63.50 61.94 3i04 n PRO 623 Cb 0.62 -1.52 0.45 0.00 -0.02 0.00 0.00 33.50 33.02 3i04 n PRO 623 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3i04 n SER 624 N -1.53 0.18 0.00 2.55 3.41 -1.26 -4.29 113.62 112.67 3i04 n SER 624 Ca 0.01 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 3i04 n SER 624 Cb 0.06 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 3i04 n SER 624 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i04 n GLY 625 N 0.62 0.69 3.02 5.00 0.00 -0.26 -5.07 105.19 109.19 3i04 n GLY 625 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 3i04 n GLY 625 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3i04 s MET 626 N -0.38 0.69 1.10 1.61 -1.94 -1.24 -4.90 119.30 114.24 3i04 s MET 626 Ca 0.00 -0.33 -0.13 0.00 -1.71 0.00 0.00 55.69 53.53 3i04 s MET 626 Cb 0.00 -0.67 0.24 0.00 2.01 0.00 0.00 34.83 36.42 3i04 s MET 626 CO 0.00 0.18 1.06 0.95 -0.01 0.00 0.00 175.02 177.20 3i04 s THR 627 N -0.24 2.04 0.24 2.05 -4.23 -1.26 -3.25 115.64 110.98 3i04 s THR 627 Ca 0.03 0.01 -0.08 0.00 -1.18 0.00 0.00 61.69 60.48 3i04 s THR 627 Cb -0.04 -2.26 0.25 0.00 1.34 0.00 0.00 72.50 71.79 3i04 s THR 627 CO -0.00 -0.01 1.65 0.15 -0.54 0.00 0.00 174.62 175.87 3i04 h PHE 628 N -2.32 0.02 -0.82 3.99 3.57 -1.78 -1.05 116.94 118.55 3i04 h PHE 628 Ca -0.59 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 60.95 3i04 h PHE 628 Cb 1.33 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 40.14 3i04 h PHE 628 CO 0.27 -0.19 0.48 0.77 -2.23 0.00 0.00 178.31 177.41 3i04 h SER 629 N 0.14 1.00 -0.19 0.41 0.02 -1.92 0.61 113.55 113.62 3i04 h SER 629 Ca 0.39 -0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 61.13 3i04 h SER 629 Cb 0.67 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.95 3i04 h SER 629 CO -0.59 0.79 -0.37 0.74 -1.14 0.00 0.00 176.83 176.26 3i04 h THR 630 N 1.13 1.33 -0.27 -2.27 2.02 -1.80 -0.75 112.91 112.30 3i04 h THR 630 Ca 0.29 -1.60 -0.01 0.00 0.77 0.00 0.00 66.41 65.87 3i04 h THR 630 Cb -0.01 1.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 3i04 h THR 630 CO -0.05 0.49 0.14 -0.07 0.37 0.00 0.00 175.52 176.40 3i04 h LEU 631 N 0.26 0.35 -0.95 2.58 3.38 -1.00 -2.68 115.31 117.25 3i04 h LEU 631 Ca 0.01 -0.10 0.17 0.00 0.09 0.00 0.00 57.88 58.05 3i04 h LEU 631 Cb 0.96 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.52 3i04 h LEU 631 CO 0.08 0.35 0.54 0.00 0.09 0.00 0.00 178.44 179.50 3i04 h ALA 632 N 1.01 1.52 -0.09 1.53 0.00 0.54 -0.85 119.26 122.92 3i04 h ALA 632 Ca 0.10 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3i04 h ALA 632 Cb 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3i04 h ALA 632 CO -0.01 -0.06 -0.14 0.78 0.00 0.00 0.00 179.25 179.81 3i04 h GLY 633 N 0.71 0.15 1.58 0.00 0.00 -0.80 -2.23 103.07 102.48 3i04 h GLY 633 Ca 0.53 -0.09 -0.28 0.00 0.00 0.00 0.00 47.33 47.50 3i04 h GLY 633 CO -0.38 0.08 -1.28 1.98 0.00 0.00 0.00 176.54 176.94 3i04 h MET 634 N 0.13 0.28 0.00 4.80 -1.53 -1.00 -3.39 114.93 114.21 3i04 h MET 634 Ca 0.03 -0.47 0.00 0.00 -3.44 0.00 0.00 59.70 55.82 3i04 h MET 634 Cb 0.34 0.18 0.00 0.00 -0.55 0.00 0.00 31.60 31.56 3i04 h MET 634 CO 0.02 1.21 -1.65 0.44 0.14 0.00 0.00 176.91 177.07 3i04 n ILE 635 N -3.53 0.22 -1.60 1.77 -5.35 -0.86 -4.88 119.36 105.13 3i04 n ILE 635 Ca -0.10 -0.52 -0.11 0.00 -0.27 0.00 0.00 62.75 61.76 3i04 n ILE 635 Cb 1.03 -0.12 0.07 0.00 -1.74 0.00 0.00 39.64 38.88 3i04 n ILE 635 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i04 n GLY 636 N 1.23 -0.79 2.45 3.28 0.00 -0.86 -4.05 105.19 106.46 3i04 n GLY 636 Ca -0.03 -1.76 -0.14 0.00 0.00 0.00 0.00 46.02 44.10 3i04 n GLY 636 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i04 n GLY 637 N 1.81 1.41 2.35 -0.02 0.00 -1.01 -3.63 105.19 106.10 3i04 n GLY 637 Ca 0.06 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3i04 n GLY 637 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i04 n GLY 638 N -1.07 0.66 3.77 -0.02 0.00 -1.01 -4.56 105.19 102.95 3i04 n GLY 638 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 3i04 n GLY 638 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i04 s THR 639 N -2.66 2.27 -0.14 2.61 -4.23 -1.24 -4.93 115.64 107.32 3i04 s THR 639 Ca 0.00 0.24 -0.25 0.00 -1.18 0.00 0.00 61.69 60.50 3i04 s THR 639 Cb 0.00 -3.14 -0.02 0.00 1.34 0.00 0.00 72.50 70.68 3i04 s THR 639 CO 0.00 0.04 0.82 0.00 -0.54 0.00 0.00 174.62 174.93 3i04 s GLN 640 N -2.35 4.33 -0.47 3.99 0.00 -1.26 -4.65 119.66 119.26 3i04 s GLN 640 Ca 0.59 1.01 0.05 0.00 -0.00 0.00 0.00 55.36 57.01 3i04 s GLN 640 Cb -0.42 -3.55 0.18 0.00 0.00 0.00 0.00 33.01 29.23 3i04 s GLN 640 CO 0.54 -0.25 0.40 0.25 0.00 0.00 0.00 175.29 176.24 3i04 n THR 641 N 4.53 -0.54 -1.63 3.63 -2.24 -1.26 -5.10 114.28 111.67 3i04 n THR 641 Ca 0.04 -3.80 -0.58 0.00 -2.27 0.00 0.00 64.05 57.43 3i04 n THR 641 Cb 0.49 -1.80 -0.08 0.00 -2.10 0.00 0.00 70.33 66.85 3i04 n THR 641 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3i04 n PRO 642 N 2.45 0.65 -0.01 -0.78 -0.02 -1.26 -1.28 135.00 134.76 3i04 n PRO 642 Ca 0.27 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3i04 n PRO 642 Cb 0.46 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 3i04 n PRO 642 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i04 n GLY 643 N 2.93 0.20 2.81 -1.23 0.00 -0.03 -4.98 105.19 104.89 3i04 n GLY 643 Ca 0.23 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.11 3i04 n GLY 643 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i04 s PHE 644 N -2.03 -0.01 -0.19 1.61 0.40 -0.40 -0.11 117.98 117.25 3i04 s PHE 644 Ca 0.00 0.17 -0.16 0.00 -0.60 0.00 0.00 56.93 56.34 3i04 s PHE 644 Cb 0.00 -0.18 0.05 0.00 0.51 0.00 0.00 43.02 43.41 3i04 s PHE 644 CO 0.00 -0.09 0.50 1.41 0.70 0.00 0.00 175.22 177.74 3i04 s MET 645 N 0.91 0.56 0.14 0.44 1.75 0.43 -4.62 119.30 118.90 3i04 s MET 645 Ca -0.07 0.75 -0.19 0.00 -1.25 0.00 0.00 55.69 54.93 3i04 s MET 645 Cb -0.11 0.22 -0.07 0.00 2.84 0.00 0.00 34.83 37.71 3i04 s MET 645 CO -0.03 -0.09 0.62 0.20 -0.65 0.00 0.00 175.02 175.07 3i04 s GLY 646 N 0.56 2.63 0.15 2.11 0.00 -1.26 -0.02 107.32 111.48 3i04 s GLY 646 Ca -0.02 0.06 -0.13 0.00 0.00 0.00 0.00 44.72 44.63 3i04 s GLY 646 CO -0.03 0.44 0.35 -0.26 0.00 0.00 0.00 173.10 173.60 3i04 s ILE 647 N -1.30 0.07 0.37 0.90 -4.36 0.06 -4.83 121.20 112.11 3i04 s ILE 647 Ca 0.35 -1.00 -0.20 0.00 -0.26 0.00 0.00 60.65 59.55 3i04 s ILE 647 Cb -0.18 -1.51 -0.10 0.00 1.25 0.00 0.00 42.46 41.92 3i04 s ILE 647 CO 0.20 -0.32 0.87 -0.83 0.24 0.00 0.00 174.94 175.10 3i04 s GLY 648 N -2.88 2.44 0.48 6.27 0.00 -1.18 -2.03 107.32 110.42 3i04 s GLY 648 Ca 0.09 0.29 0.13 0.00 0.00 0.00 0.00 44.72 45.24 3i04 s GLY 648 CO -0.06 0.58 2.11 3.21 0.00 0.00 0.00 173.10 178.94 3i04 h ARG 649 N 2.29 0.20 0.00 2.90 3.08 -1.91 -2.35 114.38 118.60 3i04 h ARG 649 Ca -0.48 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.52 3i04 h ARG 649 Cb 1.18 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.18 3i04 h ARG 649 CO 0.63 0.13 -0.15 1.79 -1.07 0.00 0.00 179.97 181.31 3i04 h THR 650 N 0.21 0.48 -0.58 2.04 1.35 -1.97 -1.85 112.91 112.59 3i04 h THR 650 Ca 0.07 -0.74 0.11 0.00 -0.55 0.00 0.00 66.41 65.30 3i04 h THR 650 Cb 0.03 1.51 -0.03 0.00 -1.73 0.00 0.00 68.15 67.93 3i04 h THR 650 CO -0.01 0.14 0.39 0.22 -0.25 0.00 0.00 175.52 176.01 3i04 h TYR 651 N 0.00 0.36 -0.18 4.73 3.20 -1.78 -2.81 116.97 120.50 3i04 h TYR 651 Ca -0.00 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 3i04 h TYR 651 Cb 0.50 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 3i04 h TYR 651 CO 0.00 0.17 0.01 0.82 -1.64 0.00 0.00 178.16 177.52 3i04 h ILE 652 N 0.34 1.11 -0.57 1.81 2.04 -1.48 -0.92 117.51 119.84 3i04 h ILE 652 Ca 0.27 -0.41 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 3i04 h ILE 652 Cb 0.62 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 3i04 h ILE 652 CO -0.07 0.14 0.06 1.33 0.00 0.00 0.00 178.15 179.61 3i04 n VAL 653 N -4.40 2.62 -3.21 1.67 0.24 -1.06 -4.84 118.33 109.35 3i04 n VAL 653 Ca -0.00 -1.34 -0.35 0.00 -2.04 0.00 0.00 64.34 60.60 3i04 n VAL 653 Cb 0.16 -0.32 -0.06 0.00 -1.47 0.00 0.00 33.84 32.16 3i04 n VAL 653 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3i04 s SER 654 N -0.76 6.90 0.52 -1.34 0.15 -0.35 -4.95 113.70 113.86 3i04 s SER 654 Ca 0.51 1.25 0.22 0.00 0.70 0.00 0.00 55.95 58.63 3i04 s SER 654 Cb 0.39 -2.36 1.38 0.00 -1.71 0.00 0.00 66.02 63.72 3i04 s SER 654 CO 0.14 0.00 2.11 0.11 1.20 0.00 0.00 173.24 176.80 3i04 h LYS 655 N 3.17 0.00 -0.20 5.44 1.57 -1.87 -2.12 116.57 122.57 3i04 h LYS 655 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3i04 h LYS 655 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3i04 h LYS 655 CO 0.66 0.09 0.00 1.63 -0.57 0.00 0.00 179.45 181.26 3i04 n LYS 656 N -4.05 1.55 -1.48 3.15 4.76 -1.26 -4.76 118.16 116.06 3i04 n LYS 656 Ca -0.03 -0.85 -0.46 0.00 -2.87 0.00 0.00 58.31 54.10 3i04 n LYS 656 Cb 0.18 -1.26 -0.07 0.00 -1.84 0.00 0.00 35.03 32.03 3i04 n LYS 656 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3i04 n PHE 657 N 0.14 1.48 -3.68 2.13 -0.00 -0.80 -2.48 117.46 114.25 3i04 n PHE 657 Ca 0.11 0.23 -0.12 0.00 -0.00 0.00 0.00 57.45 57.67 3i04 n PHE 657 Cb 0.23 -2.55 0.00 0.00 -0.00 0.00 0.00 39.48 37.16 3i04 n PHE 657 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.76 177.20 3i04 n ILE 658 N 7.42 -0.71 0.07 -2.13 -5.35 -1.26 -3.70 119.36 113.70 3i04 n ILE 658 Ca 0.43 -0.13 -0.01 0.00 -0.27 0.00 0.00 62.75 62.76 3i04 n ILE 658 Cb 0.28 -0.61 0.25 0.00 -1.74 0.00 0.00 39.64 37.82 3i04 n ILE 658 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 3i04 h SER 659 N 1.45 0.33 0.82 7.28 4.64 -1.09 -0.49 113.55 126.47 3i04 h SER 659 Ca -0.19 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 3i04 h SER 659 Cb 0.37 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3i04 h SER 659 CO 0.13 0.61 0.00 0.00 -0.87 0.00 0.00 176.83 176.70 3i04 h ALA 660 N 1.42 1.00 -0.04 5.18 0.00 -1.58 -2.41 119.26 122.83 3i04 h ALA 660 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3i04 h ALA 660 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3i04 h ALA 660 CO 0.05 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.05 3i04 n ASP 661 N -2.86 2.78 0.00 0.00 8.00 -0.84 -4.95 116.55 118.67 3i04 n ASP 661 Ca 0.01 -1.88 0.00 0.00 0.71 0.00 0.00 54.79 53.62 3i04 n ASP 661 Cb 0.25 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 3i04 n ASP 661 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i04 n GLY 662 N 1.19 1.15 7.00 0.44 0.00 -0.90 -4.90 105.19 109.17 3i04 n GLY 662 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3i04 n GLY 662 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i04 n GLY 663 N -1.07 0.96 0.35 -0.02 0.00 -0.25 -3.48 105.19 101.69 3i04 n GLY 663 Ca 0.00 -0.77 0.18 0.00 0.00 0.00 0.00 46.02 45.43 3i04 n GLY 663 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3i04 h ILE 664 N 0.00 0.20 -0.03 -0.61 3.07 -1.89 -1.92 117.51 116.34 3i04 h ILE 664 Ca 0.00 0.00 0.01 0.00 1.55 0.00 0.00 64.86 66.42 3i04 h ILE 664 Cb 0.00 0.74 -0.00 0.00 -0.27 0.00 0.00 36.82 37.28 3i04 h ILE 664 CO 0.00 0.00 0.07 0.00 -1.05 0.00 0.00 178.15 177.17 3i04 h ALA 665 N 1.54 1.32 0.00 0.16 0.00 -1.96 -2.08 119.26 118.24 3i04 h ALA 665 Ca 0.07 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3i04 h ALA 665 Cb 0.66 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3i04 h ALA 665 CO -0.00 -0.08 -0.20 0.00 0.00 0.00 0.00 179.25 178.96 3i04 h ARG 666 N 0.00 0.00 -6.31 0.00 2.47 -1.49 -3.30 114.38 105.75 3i04 h ARG 666 Ca 0.01 0.00 -0.57 0.00 -1.26 0.00 0.00 59.98 58.17 3i04 h ARG 666 Cb 0.15 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.44 3i04 h ARG 666 CO -0.00 0.20 1.12 0.42 0.56 0.00 0.00 179.97 182.27 3i04 s ILE 667 N -3.29 3.75 -1.11 2.04 1.01 -0.79 -0.58 121.20 122.23 3i04 s ILE 667 Ca 0.04 0.84 0.11 0.00 0.00 0.00 0.00 60.65 61.64 3i04 s ILE 667 Cb 0.07 -3.80 0.02 0.00 0.01 0.00 0.00 42.46 38.77 3i04 s ILE 667 CO 0.67 -0.36 0.72 1.33 0.00 0.00 0.00 174.94 177.29 3i04 n VAL 668 N 6.52 0.00 -3.63 2.92 0.24 0.20 -4.80 118.33 119.77 3i04 n VAL 668 Ca 0.18 -0.42 -0.12 0.00 -2.04 0.00 0.00 64.34 61.94 3i04 n VAL 668 Cb 0.46 1.16 -0.07 0.00 -1.47 0.00 0.00 33.84 33.91 3i04 n VAL 668 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 3i04 s TRP 669 N -1.31 -0.85 -0.01 6.34 -0.00 -1.23 -1.95 118.94 119.94 3i04 s TRP 669 Ca 0.10 1.97 -0.20 0.00 -0.00 0.00 0.00 56.10 57.97 3i04 s TRP 669 Cb 0.09 0.36 0.04 0.00 -0.00 0.00 0.00 33.47 33.96 3i04 s TRP 669 CO 0.24 -0.41 0.42 -1.64 -0.00 0.00 0.00 176.95 175.56 3i04 s MET 670 N 0.69 0.83 0.60 5.86 -1.94 -1.00 -0.99 119.30 123.35 3i04 s MET 670 Ca -0.02 -0.13 -0.19 0.00 -1.71 0.00 0.00 55.69 53.64 3i04 s MET 670 Cb -0.05 0.37 -0.03 0.00 2.01 0.00 0.00 34.83 37.13 3i04 s MET 670 CO -0.04 -0.25 1.23 -2.14 -0.01 0.00 0.00 175.02 173.80 3i04 s PRO 671 N -1.60 2.89 0.29 2.03 0.02 -1.25 -4.24 135.00 133.14 3i04 s PRO 671 Ca -0.11 1.88 0.01 0.00 0.02 0.00 0.00 61.00 62.80 3i04 s PRO 671 Cb -0.03 -1.91 0.54 0.00 0.02 0.00 0.00 34.50 33.12 3i04 s PRO 671 CO 0.04 -1.29 1.87 -0.22 -0.33 0.00 0.00 177.00 177.07 3i04 h LYS 672 N 0.82 1.00 -0.07 5.54 3.64 -1.96 0.09 116.57 125.63 3i04 h LYS 672 Ca -0.51 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 58.79 3i04 h LYS 672 Cb 1.31 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 3i04 h LYS 672 CO 0.55 0.66 -0.05 0.66 -2.27 0.00 0.00 179.45 179.00 3i04 h SER 673 N 1.03 0.09 0.23 4.20 4.64 -1.99 -0.96 113.55 120.78 3i04 h SER 673 Ca 0.45 -0.01 -0.28 0.00 -0.47 0.00 0.00 61.79 61.48 3i04 h SER 673 Cb 0.35 -0.02 0.02 0.00 -0.31 0.00 0.00 62.40 62.44 3i04 h SER 673 CO -0.21 0.16 -1.18 0.25 -0.87 0.00 0.00 176.83 174.98 3i04 h LEU 674 N 0.10 0.76 -0.01 5.97 6.46 -1.37 -1.55 115.31 125.67 3i04 h LEU 674 Ca 0.02 -0.69 0.03 0.00 -0.12 0.00 0.00 57.88 57.12 3i04 h LEU 674 Cb 0.16 -0.24 -0.06 0.00 -0.73 0.00 0.00 40.66 39.79 3i04 h LEU 674 CO 0.01 1.50 -0.48 0.11 -0.62 0.00 0.00 178.44 178.97 3i04 h LYS 675 N 0.25 -0.60 -0.55 1.25 1.57 -0.98 -0.85 116.57 116.66 3i04 h LYS 675 Ca -0.16 0.04 0.06 0.00 -1.87 0.00 0.00 60.65 58.72 3i04 h LYS 675 Cb 1.85 0.14 -0.03 0.00 0.08 0.00 0.00 32.23 34.26 3i04 h LYS 675 CO 0.22 -0.40 0.37 -0.44 -0.57 0.00 0.00 179.45 178.63 3i04 h ASP 676 N -0.62 0.46 -0.23 0.86 3.32 -1.20 0.95 116.42 119.96 3i04 h ASP 676 Ca 0.03 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.99 3i04 h ASP 676 Cb 0.69 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 3i04 h ASP 676 CO -0.35 0.30 -0.23 0.15 -1.72 0.00 0.00 179.24 177.40 3i04 h PHE 677 N 0.52 0.67 -0.14 4.55 3.57 -1.02 -3.27 116.94 121.82 3i04 h PHE 677 Ca 0.24 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3i04 h PHE 677 Cb 0.27 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.87 3i04 h PHE 677 CO -0.00 0.90 0.00 1.28 -2.23 0.00 0.00 178.31 178.25 3i04 n LEU 678 N -4.38 2.28 -0.08 0.59 4.77 -0.35 -4.84 117.00 114.99 3i04 n LEU 678 Ca -0.05 -0.87 -0.02 0.00 -0.03 0.00 0.00 56.01 55.04 3i04 n LEU 678 Cb 0.43 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.41 3i04 n LEU 678 CO 0.42 0.43 0.50 1.57 -1.33 0.00 0.00 177.39 178.98 3i04 n HIS 679 N 0.75 -0.09 -0.23 -1.77 -0.00 0.29 -0.31 115.22 113.86 3i04 n HIS 679 Ca 0.17 0.25 -0.07 0.00 0.46 0.00 0.00 57.72 58.53 3i04 n HIS 679 Cb 0.45 -0.52 0.04 0.00 -0.12 0.00 0.00 29.99 29.85 3i04 n HIS 679 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 3i04 h ASP 680 N 0.00 0.89 0.68 0.26 3.32 -1.88 0.34 116.42 120.03 3i04 h ASP 680 Ca 0.03 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 56.87 3i04 h ASP 680 Cb 0.08 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3i04 h ASP 680 CO -0.19 0.81 -0.23 -0.33 -1.72 0.00 0.00 179.24 177.58 3i04 h GLU 681 N 0.91 0.00 0.03 3.56 4.39 -1.86 -2.03 114.58 119.59 3i04 h GLU 681 Ca 0.22 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.87 3i04 h GLU 681 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 3i04 h GLU 681 CO -0.02 0.23 -0.24 0.35 -1.16 0.00 0.00 179.01 178.18 3i04 h PHE 682 N 0.00 0.13 -0.63 4.33 3.57 0.97 -2.54 116.94 122.77 3i04 h PHE 682 Ca -0.00 -0.09 0.07 0.00 3.53 0.00 0.00 57.97 61.47 3i04 h PHE 682 Cb 0.63 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.31 3i04 h PHE 682 CO 0.00 1.09 0.32 0.28 -2.23 0.00 0.00 178.31 177.77 3i04 h VAL 683 N -0.85 0.91 -0.68 1.41 2.07 -0.39 -1.23 116.25 117.49 3i04 h VAL 683 Ca -0.05 -0.20 0.06 0.00 0.82 0.00 0.00 66.70 67.33 3i04 h VAL 683 Cb 1.16 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 3i04 h VAL 683 CO 0.03 0.11 0.39 -0.09 0.02 0.00 0.00 177.57 178.02 3i04 h ARG 684 N 0.59 0.70 -0.49 1.57 2.43 -1.46 -2.23 114.38 115.48 3i04 h ARG 684 Ca 0.29 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.36 3i04 h ARG 684 Cb 0.24 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 3i04 h ARG 684 CO -0.21 0.46 0.04 0.00 -1.51 0.00 0.00 179.97 178.75 3i04 h ARG 685 N 0.72 0.79 -0.22 0.20 2.47 -1.10 -2.19 114.38 115.05 3i04 h ARG 685 Ca 0.30 -0.19 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 3i04 h ARG 685 Cb 0.18 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.38 3i04 h ARG 685 CO -0.18 0.77 0.14 0.77 0.56 0.00 0.00 179.97 182.03 3i04 h SER 686 N 0.75 0.26 -0.17 7.04 0.02 -0.68 -1.63 113.55 119.14 3i04 h SER 686 Ca 0.15 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.08 3i04 h SER 686 Cb 0.39 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 3i04 h SER 686 CO 0.01 0.21 0.08 0.58 -1.14 0.00 0.00 176.83 176.58 3i04 h VAL 687 N 0.28 1.00 -0.28 2.27 2.07 -1.33 -0.68 116.25 119.59 3i04 h VAL 687 Ca 0.08 -0.06 0.08 0.00 0.82 0.00 0.00 66.70 67.62 3i04 h VAL 687 Cb -0.01 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3i04 h VAL 687 CO -0.02 0.03 0.30 -0.33 0.02 0.00 0.00 177.57 177.58 3i04 h GLU 688 N 0.18 0.00 0.00 1.57 5.08 -1.23 -2.19 114.58 117.99 3i04 h GLU 688 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3i04 h GLU 688 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3i04 h GLU 688 CO -0.05 0.00 -1.19 0.39 -1.00 0.00 0.00 179.01 177.16 3i04 n GLU 689 N -3.78 0.30 -1.69 2.33 -0.58 -0.57 -4.99 120.64 111.67 3i04 n GLU 689 Ca 0.04 -0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3i04 n GLU 689 Cb 0.44 -1.57 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 3i04 n GLU 689 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i04 n GLY 690 N 1.37 0.62 0.00 0.62 0.00 -0.37 -4.98 105.19 102.45 3i04 n GLY 690 Ca 0.01 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3i04 n GLY 690 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i04 n LEU 691 N -0.66 0.39 0.00 0.99 4.77 -0.71 -5.04 117.00 116.74 3i04 n LEU 691 Ca 0.00 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 3i04 n LEU 691 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3i04 n LEU 691 CO 0.00 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 3i04 n GLY 692 N 0.22 -1.68 0.07 -0.72 0.00 -1.24 -3.85 105.19 97.99 3i04 n GLY 692 Ca 0.00 -1.54 0.12 0.00 0.00 0.00 0.00 46.02 44.59 3i04 n GLY 692 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i04 n GLU 693 N -1.92 0.13 -0.05 1.61 1.02 -1.26 -3.31 120.64 116.86 3i04 n GLU 693 Ca 0.00 0.23 0.12 0.00 -0.02 0.00 0.00 57.16 57.50 3i04 n GLU 693 Cb 0.00 -1.69 0.22 0.00 -0.02 0.00 0.00 31.44 29.94 3i04 n GLU 693 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3i04 n ASP 694 N -1.93 2.76 -0.32 1.62 5.75 -1.26 -4.41 116.55 118.75 3i04 n ASP 694 Ca 0.04 -1.89 0.05 0.00 -0.01 0.00 0.00 54.79 52.98 3i04 n ASP 694 Cb 0.30 -0.06 0.20 0.00 -1.03 0.00 0.00 41.12 40.52 3i04 n ASP 694 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 3i04 h PHE 695 N 4.08 0.97 0.00 2.11 3.57 -1.66 -1.05 116.94 124.96 3i04 h PHE 695 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3i04 h PHE 695 Cb 0.88 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.32 3i04 h PHE 695 CO 0.06 0.38 0.23 0.97 -2.23 0.00 0.00 178.31 177.73 3i04 h ILE 696 N 0.86 0.00 0.00 1.41 2.10 -1.86 -1.18 117.51 118.84 3i04 h ILE 696 Ca 0.44 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 66.37 3i04 h ILE 696 Cb 0.43 0.58 -0.00 0.00 -1.09 0.00 0.00 36.82 36.74 3i04 h ILE 696 CO -0.26 0.00 -1.85 0.47 -1.08 0.00 0.00 178.15 175.43 3i04 n ASP 697 N -2.59 0.13 0.16 2.19 8.00 -0.40 -3.63 116.55 120.41 3i04 n ASP 697 Ca -0.02 0.05 0.13 0.00 0.71 0.00 0.00 54.79 55.67 3i04 n ASP 697 Cb 0.27 1.74 0.49 0.00 -0.02 0.00 0.00 41.12 43.61 3i04 n ASP 697 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3i04 h LYS 698 N 0.00 0.00 -5.84 -1.24 1.57 -1.19 -3.44 116.57 106.44 3i04 h LYS 698 Ca -0.01 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.17 3i04 h LYS 698 Cb 1.02 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.24 3i04 h LYS 698 CO 0.00 0.00 0.48 0.42 -0.57 0.00 0.00 179.45 179.78 3i04 s ILE 699 N -3.34 4.78 0.82 1.86 1.01 -1.20 -4.73 121.20 120.41 3i04 s ILE 699 Ca 0.05 1.41 -0.12 0.00 0.00 0.00 0.00 60.65 61.99 3i04 s ILE 699 Cb 0.10 -4.16 0.09 0.00 0.01 0.00 0.00 42.46 38.49 3i04 s ILE 699 CO 0.48 -0.20 1.18 0.00 0.00 0.00 0.00 174.94 176.40 3i04 s ALA 700 N 2.98 1.80 0.00 9.38 0.00 -0.82 -4.85 121.76 130.25 3i04 s ALA 700 Ca 0.35 0.74 0.00 0.00 0.00 0.00 0.00 51.96 53.05 3i04 s ALA 700 Cb -0.14 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.51 3i04 s ALA 700 CO 0.11 -2.34 0.00 -0.40 0.00 0.00 0.00 175.76 173.13 3i04 n ASP 701 N -3.50 0.00 0.23 0.00 5.68 -1.26 -2.37 116.55 115.34 3i04 n ASP 701 Ca 0.13 -0.94 0.09 0.00 -0.50 0.00 0.00 54.79 53.57 3i04 n ASP 701 Cb 0.51 0.00 0.56 0.00 -1.14 0.00 0.00 41.12 41.05 3i04 n ASP 701 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3i04 h GLU 702 N 0.00 0.00 0.00 0.11 4.11 -1.76 -1.66 114.58 115.37 3i04 h GLU 702 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 3i04 h GLU 702 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3i04 h GLU 702 CO 0.00 0.21 -0.20 1.79 0.07 0.00 0.00 179.01 180.88 3i04 h THR 703 N 0.00 0.80 0.04 -1.06 1.35 -1.96 -3.26 112.91 108.81 3i04 h THR 703 Ca -0.00 -0.79 -0.36 0.00 -0.55 0.00 0.00 66.41 64.72 3i04 h THR 703 Cb 0.52 1.47 -0.04 0.00 -1.73 0.00 0.00 68.15 68.37 3i04 h THR 703 CO 0.03 0.19 -2.01 2.30 -0.25 0.00 0.00 175.52 175.78 3i04 n ILE 704 N -3.80 1.60 -3.63 6.82 -6.64 -0.85 -5.08 119.36 107.77 3i04 n ILE 704 Ca -0.02 -0.39 0.01 0.00 -1.77 0.00 0.00 62.75 60.58 3i04 n ILE 704 Cb 0.30 -1.80 -0.01 0.00 -1.44 0.00 0.00 39.64 36.70 3i04 n ILE 704 CO 0.00 0.00 0.00 -0.83 -1.77 0.00 0.00 176.55 173.95 3i04 s GLY 705 N -5.54 -0.40 0.00 3.28 0.00 -0.68 -4.83 107.32 99.15 3i04 s GLY 705 Ca -0.31 0.64 0.00 0.00 0.00 0.00 0.00 44.72 45.05 3i04 s GLY 705 CO 0.62 0.15 0.77 -1.30 0.00 0.00 0.00 173.10 173.34 3i04 n THR 706 N -0.49 0.53 -4.39 0.90 -2.24 -1.26 -4.03 114.28 103.29 3i04 n THR 706 Ca -0.08 -0.76 -0.19 0.00 -2.27 0.00 0.00 64.05 60.74 3i04 n THR 706 Cb 0.63 0.74 -0.10 0.00 -2.10 0.00 0.00 70.33 69.49 3i04 n THR 706 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3i04 s THR 707 N -0.54 1.07 0.06 4.28 -4.23 -1.26 -2.10 115.64 112.92 3i04 s THR 707 Ca 0.00 -2.02 -0.19 0.00 -1.18 0.00 0.00 61.69 58.30 3i04 s THR 707 Cb 0.00 -2.60 -0.12 0.00 1.34 0.00 0.00 72.50 71.12 3i04 s THR 707 CO 0.00 -0.12 1.39 0.58 -0.54 0.00 0.00 174.62 175.93 3i04 h VAL 708 N 2.28 1.32 0.00 2.29 2.07 -1.94 -2.77 116.25 119.51 3i04 h VAL 708 Ca -0.40 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 65.87 3i04 h VAL 708 Cb 1.24 1.72 -0.00 0.00 -1.52 0.00 0.00 31.29 32.72 3i04 h VAL 708 CO 0.66 0.37 -0.11 0.44 0.02 0.00 0.00 177.57 178.95 3i04 h ASP 709 N 0.09 0.00 1.30 0.57 3.32 -1.97 0.56 116.42 120.29 3i04 h ASP 709 Ca 0.04 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 3i04 h ASP 709 Cb 0.64 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 3i04 h ASP 709 CO 0.03 0.11 -0.38 -0.33 -1.72 0.00 0.00 179.24 176.95 3i04 h GLU 710 N 0.00 0.00 0.00 3.56 5.08 -1.92 -3.39 114.58 117.91 3i04 h GLU 710 Ca -0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 3i04 h GLU 710 Cb 0.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3i04 h GLU 710 CO 0.01 0.38 -1.68 0.44 -1.00 0.00 0.00 179.01 177.16 3i04 n ILE 711 N -3.30 0.24 -0.21 3.13 -5.35 -0.60 -4.59 119.36 108.68 3i04 n ILE 711 Ca 0.01 -0.37 -0.07 0.00 -0.27 0.00 0.00 62.75 62.05 3i04 n ILE 711 Cb 0.62 -0.05 0.03 0.00 -1.74 0.00 0.00 39.64 38.50 3i04 n ILE 711 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 3i04 h LEU 712 N 0.00 0.74 -0.75 7.28 5.85 -1.12 0.06 115.31 127.36 3i04 h LEU 712 Ca -0.09 -0.10 0.12 0.00 0.84 0.00 0.00 57.88 58.64 3i04 h LEU 712 Cb 0.94 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.69 3i04 h LEU 712 CO 0.01 0.63 0.35 -0.65 -0.34 0.00 0.00 178.44 178.44 3i04 h PRO 713 N 0.79 0.54 -0.30 5.25 0.11 -1.81 -0.66 132.00 135.92 3i04 h PRO 713 Ca 0.21 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 3i04 h PRO 713 Cb 0.06 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 3i04 h PRO 713 CO -0.03 0.36 0.11 -0.92 -0.21 0.00 0.00 178.00 177.30 3i04 h TYR 714 N 0.56 0.48 -0.84 0.65 3.20 -1.70 -0.01 116.97 119.31 3i04 h TYR 714 Ca 0.39 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.22 3i04 h TYR 714 Cb 0.50 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.59 3i04 h TYR 714 CO -0.12 0.48 0.53 -0.07 -1.64 0.00 0.00 178.16 177.35 3i04 h LEU 715 N 0.34 0.98 -0.05 2.82 3.38 -0.49 -1.56 115.31 120.72 3i04 h LEU 715 Ca 0.10 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3i04 h LEU 715 Cb 0.22 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3i04 h LEU 715 CO -0.01 0.73 0.00 -0.33 0.09 0.00 0.00 178.44 178.92 3i04 h GLU 716 N 1.14 0.09 -0.92 1.13 5.08 -0.99 0.36 114.58 120.48 3i04 h GLU 716 Ca 0.30 -0.03 0.18 0.00 -1.00 0.00 0.00 59.36 58.81 3i04 h GLU 716 Cb -0.10 -0.01 -0.17 0.00 0.50 0.00 0.00 28.75 28.97 3i04 h GLU 716 CO -0.06 0.36 -0.25 1.49 -1.00 0.00 0.00 179.01 179.55 3i04 h GLU 717 N -0.19 -0.01 -0.01 2.33 4.81 -0.73 0.15 114.58 120.93 3i04 h GLU 717 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3i04 h GLU 717 Cb 0.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 3i04 h GLU 717 CO 0.00 -0.00 -0.14 1.63 -0.73 0.00 0.00 179.01 179.77 3i04 n LYS 718 N -5.57 0.95 -3.44 1.92 4.76 -0.61 -4.97 118.16 111.20 3i04 n LYS 718 Ca 0.13 -0.46 -0.19 0.00 -2.87 0.00 0.00 58.31 54.93 3i04 n LYS 718 Cb 0.45 -1.49 0.08 0.00 -1.84 0.00 0.00 35.03 32.23 3i04 n LYS 718 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i04 n GLY 719 N 1.26 -0.39 3.65 0.72 0.00 0.51 -4.86 105.19 106.08 3i04 n GLY 719 Ca 0.15 0.13 -0.48 0.00 0.00 0.00 0.00 46.02 45.82 3i04 n GLY 719 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3i04 n HIS 720 N -4.38 2.06 0.26 1.61 -0.00 -0.44 -4.82 115.22 109.51 3i04 n HIS 720 Ca -0.15 0.36 0.13 0.00 0.46 0.00 0.00 57.72 58.51 3i04 n HIS 720 Cb 0.62 -2.49 0.68 0.00 -0.12 0.00 0.00 29.99 28.68 3i04 n HIS 720 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3i04 h PRO 721 N 5.84 0.00 -0.41 1.57 0.13 -1.89 -2.67 132.00 134.57 3i04 h PRO 721 Ca -0.46 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.53 3i04 h PRO 721 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 3i04 h PRO 721 CO 0.86 0.00 -0.30 0.00 -0.23 0.00 0.00 178.00 178.34 3i04 h ALA 722 N 1.47 0.69 -0.58 -0.56 0.00 -1.88 -2.55 119.26 115.85 3i04 h ALA 722 Ca 0.00 -0.42 0.17 0.00 0.00 0.00 0.00 54.91 54.66 3i04 h ALA 722 Cb 0.47 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3i04 h ALA 722 CO 0.00 0.67 0.42 -0.07 0.00 0.00 0.00 179.25 180.27 3i04 h LEU 723 N 0.77 0.00 0.00 0.00 4.07 -1.65 -3.04 115.31 115.46 3i04 h LEU 723 Ca 0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.04 3i04 h LEU 723 Cb 0.87 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.61 3i04 h LEU 723 CO 0.08 0.00 -0.58 0.35 -1.08 0.00 0.00 178.44 177.21 3i04 n THR 724 N -4.33 0.00 -0.86 0.22 -2.24 -1.16 -5.00 114.28 100.91 3i04 n THR 724 Ca 0.11 -0.22 -0.30 0.00 -2.27 0.00 0.00 64.05 61.37 3i04 n THR 724 Cb 0.66 1.00 0.17 0.00 -2.10 0.00 0.00 70.33 70.06 3i04 n THR 724 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3i04 s MET 725 N -2.14 0.79 0.84 -0.78 -1.94 -0.97 -5.01 119.30 110.09 3i04 s MET 725 Ca 0.05 1.16 -0.16 0.00 -1.71 0.00 0.00 55.69 55.03 3i04 s MET 725 Cb 0.09 -1.73 -0.14 0.00 2.01 0.00 0.00 34.83 35.06 3i04 s MET 725 CO 0.50 -2.66 -0.62 -0.25 -0.01 0.00 0.00 175.02 171.98 3i04 n ASP 726 N -4.21 -5.22 -4.74 3.03 8.00 -1.26 -4.91 116.55 107.23 3i04 n ASP 726 Ca 0.08 0.27 -0.41 0.00 0.71 0.00 0.00 54.79 55.44 3i04 n ASP 726 Cb 0.53 -0.74 -0.04 0.00 -0.02 0.00 0.00 41.12 40.86 3i04 n ASP 726 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3i04 s PRO 727 N -1.68 4.55 -0.05 -0.24 0.04 -1.26 -4.94 135.00 131.42 3i04 s PRO 727 Ca 0.41 1.80 -0.05 0.00 0.04 0.00 0.00 61.00 63.21 3i04 s PRO 727 Cb -0.24 -3.25 -0.28 0.00 0.04 0.00 0.00 34.50 30.78 3i04 s PRO 727 CO 0.75 0.01 0.66 0.97 0.04 0.00 0.00 177.00 179.43 3i04 h ILE 728 N 3.67 0.92 0.00 0.56 2.10 -1.91 -3.53 117.51 119.32 3i04 h ILE 728 Ca -0.45 -2.58 0.00 0.00 1.08 0.00 0.00 64.86 62.91 3i04 h ILE 728 Cb 1.21 2.66 0.00 0.00 -1.09 0.00 0.00 36.82 39.61 3i04 h ILE 728 CO 0.73 0.82 0.00 0.23 -1.08 0.00 0.00 178.15 178.85