#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 0.90 -0.72 3.42 5.19 -2.03 -2.77 116.42 120.40 3i04 h ASP 3 Ca 0.00 0.02 0.15 0.00 -0.62 0.00 0.00 57.03 56.58 3i04 h ASP 3 Cb 0.00 -0.17 -0.10 0.00 0.18 0.00 0.00 39.33 39.24 3i04 h ASP 3 CO 0.00 0.56 0.20 0.15 -3.12 0.00 0.00 179.24 177.03 3i04 h PHE 4 N 1.03 0.33 -0.24 4.55 3.57 -2.03 -2.07 116.94 122.08 3i04 h PHE 4 Ca 0.41 0.04 0.07 0.00 3.53 0.00 0.00 57.97 62.02 3i04 h PHE 4 Cb 0.22 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 3i04 h PHE 4 CO -0.02 -0.04 0.45 -0.44 -2.23 0.00 0.00 178.31 176.03 3i04 h ASP 5 N 0.31 0.00 -1.32 0.41 3.32 -1.93 -2.00 116.42 115.21 3i04 h ASP 5 Ca 0.40 0.00 0.38 0.00 0.02 0.00 0.00 57.03 57.83 3i04 h ASP 5 Cb 0.66 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.15 3i04 h ASP 5 CO -0.47 0.00 0.99 0.50 -1.72 0.00 0.00 179.24 178.54 3i04 h LYS 6 N 0.00 0.00 0.00 3.56 3.11 -1.50 -1.42 116.57 120.33 3i04 h LYS 6 Ca 0.11 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.95 3i04 h LYS 6 Cb 1.02 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.25 3i04 h LYS 6 CO -0.00 0.00 -0.01 -0.84 -2.81 0.00 0.00 179.45 175.78 3i04 h ILE 7 N 0.00 0.04 -0.01 2.00 3.07 -1.58 -2.81 117.51 118.22 3i04 h ILE 7 Ca 0.63 -0.56 0.00 0.00 1.55 0.00 0.00 64.86 66.48 3i04 h ILE 7 Cb 2.61 1.54 0.00 0.00 -0.27 0.00 0.00 36.82 40.69 3i04 h ILE 7 CO -0.01 0.01 -0.51 0.49 -1.05 0.00 0.00 178.15 177.09 3i04 n PHE 8 N -3.11 0.00 -1.93 0.16 3.01 -0.53 -4.95 117.46 110.10 3i04 n PHE 8 Ca 0.01 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.05 3i04 n PHE 8 Cb 0.32 -0.04 -0.02 0.00 -0.01 0.00 0.00 39.48 39.73 3i04 n PHE 8 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3i04 s GLU 9 N -2.59 4.22 -1.25 -1.08 2.02 -1.06 -2.44 118.70 116.51 3i04 s GLU 9 Ca 0.18 2.40 0.00 0.00 0.02 0.00 0.00 54.97 57.57 3i04 s GLU 9 Cb 0.18 -3.07 0.00 0.00 0.10 0.00 0.00 34.13 31.34 3i04 s GLU 9 CO 0.61 -0.47 0.00 0.41 0.02 0.00 0.00 175.26 175.83 3i04 n GLY 10 N 1.89 0.64 0.28 -1.39 0.00 -1.26 -4.87 105.19 100.48 3i04 n GLY 10 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 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 0.87 0.72 -2.44 4.61 0.00 -1.81 -3.41 119.26 117.80 3i04 h ALA 11 Ca -0.27 -0.30 -0.63 0.00 0.00 0.00 0.00 54.91 53.70 3i04 h ALA 11 Cb 0.95 -0.20 -0.14 0.00 0.00 0.00 0.00 17.79 18.41 3i04 h ALA 11 CO 0.37 0.56 0.03 0.42 0.00 0.00 0.00 179.25 180.64 3i04 s ILE 12 N -4.99 4.98 0.73 0.00 1.01 -1.26 -4.25 121.20 117.43 3i04 s ILE 12 Ca -0.12 0.59 -0.15 0.00 0.00 0.00 0.00 60.65 60.97 3i04 s ILE 12 Cb 0.12 -3.97 0.04 0.00 0.01 0.00 0.00 42.46 38.67 3i04 s ILE 12 CO 0.84 -0.16 1.24 -2.84 0.00 0.00 0.00 174.94 174.01 3i04 s PRO 13 N 2.49 2.08 0.14 2.79 0.02 -1.26 -4.88 135.00 136.38 3i04 s PRO 13 Ca 0.22 1.86 -0.34 0.00 0.02 0.00 0.00 61.00 62.76 3i04 s PRO 13 Cb -0.15 -1.81 -0.13 0.00 0.02 0.00 0.00 34.50 32.42 3i04 s PRO 13 CO 0.13 -1.90 1.62 0.39 -0.33 0.00 0.00 177.00 176.91 3i04 n GLU 14 N -2.67 2.23 -2.20 5.54 -0.58 -1.26 -1.47 120.64 120.24 3i04 n GLU 14 Ca 0.14 0.81 -0.16 0.00 -0.42 0.00 0.00 57.16 57.53 3i04 n GLU 14 Cb 0.50 -2.59 -0.02 0.00 -0.57 0.00 0.00 31.44 28.75 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 3.57 -0.03 1.42 0.62 0.00 -1.26 -4.87 105.19 104.65 3i04 n GLY 15 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.70 2.43 -1.70 1.61 5.02 -0.54 -5.07 118.16 117.20 3i04 n LYS 16 Ca -0.18 -3.55 -0.43 0.00 -2.02 0.00 0.00 58.31 52.13 3i04 n LYS 16 Cb 0.62 -1.96 -0.03 0.00 -0.02 0.00 0.00 35.03 33.63 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 -0.97 2.62 -1.90 1.97 -0.58 -1.26 -4.81 120.64 115.70 3i04 n GLU 17 Ca 0.36 0.95 -0.42 0.00 -0.42 0.00 0.00 57.16 57.63 3i04 n GLU 17 Cb 0.90 -2.79 0.00 0.00 -0.57 0.00 0.00 31.44 28.99 3i04 n GLU 17 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 3i04 n PRO 18 N 4.36 3.01 -0.30 3.49 -0.04 -1.26 -4.79 135.00 139.46 3i04 n PRO 18 Ca 0.17 -2.82 -0.04 0.00 -0.04 0.00 0.00 63.50 60.77 3i04 n PRO 18 Cb 0.34 -3.24 0.07 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 4.06 1.22 -0.85 0.52 2.07 -1.90 -1.52 116.25 119.85 3i04 h VAL 19 Ca 0.53 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.60 3i04 h VAL 19 Cb 0.66 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 3i04 h VAL 19 CO 1.81 0.23 0.57 0.00 0.02 0.00 0.00 177.57 180.19 3i04 h ALA 20 N 1.28 1.40 -0.32 1.67 0.00 -1.87 -0.35 119.26 121.08 3i04 h ALA 20 Ca 0.30 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3i04 h ALA 20 Cb -0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 3i04 h ALA 20 CO -0.06 0.55 0.06 1.25 0.00 0.00 0.00 179.25 181.04 3i04 h LEU 21 N 1.14 0.50 -1.16 0.00 5.85 -1.35 -2.15 115.31 118.15 3i04 h LEU 21 Ca 0.32 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3i04 h LEU 21 Cb -0.11 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 3i04 h LEU 21 CO -0.07 0.62 0.43 -0.26 -0.34 0.00 0.00 178.44 178.82 3i04 h PHE 22 N 0.35 0.98 -0.32 1.25 0.04 -0.89 -1.63 116.94 116.72 3i04 h PHE 22 Ca 0.10 -0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.80 3i04 h PHE 22 Cb 0.34 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 3i04 h PHE 22 CO 0.02 0.66 -0.05 -0.09 -0.60 0.00 0.00 178.31 178.26 3i04 h ARG 23 N 1.02 0.60 -0.49 1.51 2.43 -1.06 -0.29 114.38 118.10 3i04 h ARG 23 Ca 0.26 -0.21 0.04 0.00 -0.81 0.00 0.00 59.98 59.26 3i04 h ARG 23 Cb -0.02 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 3i04 h ARG 23 CO -0.05 0.76 0.25 1.49 -1.51 0.00 0.00 179.97 180.91 3i04 h GLU 24 N 0.38 0.47 -0.02 0.20 4.81 -1.07 0.98 114.58 120.33 3i04 h GLU 24 Ca 0.08 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3i04 h GLU 24 Cb 0.52 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 3i04 h GLU 24 CO 0.03 0.31 0.01 0.28 -0.73 0.00 0.00 179.01 178.91 3i04 h VAL 25 N 0.49 1.04 -0.41 0.32 2.07 -1.17 -0.05 116.25 118.53 3i04 h VAL 25 Ca 0.21 -0.11 0.08 0.00 0.82 0.00 0.00 66.70 67.71 3i04 h VAL 25 Cb 0.12 1.08 -0.09 0.00 -1.52 0.00 0.00 31.29 30.88 3i04 h VAL 25 CO -0.15 0.03 -0.31 0.22 0.02 0.00 0.00 177.57 177.39 3i04 h TYR 26 N -0.01 -0.84 -0.67 1.57 -0.00 -0.78 0.22 116.97 116.46 3i04 h TYR 26 Ca 0.01 0.06 0.03 0.00 -0.00 0.00 0.00 58.73 58.82 3i04 h TYR 26 Cb 0.04 0.43 -0.04 0.00 -0.00 0.00 0.00 36.73 37.16 3i04 h TYR 26 CO -0.06 -0.37 0.42 0.45 -0.00 0.00 0.00 178.16 178.60 3i04 h HIS 27 N -0.23 0.79 -0.44 -3.82 3.86 -0.57 -0.89 115.15 113.85 3i04 h HIS 27 Ca 0.18 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.33 3i04 h HIS 27 Cb 0.53 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.72 3i04 h HIS 27 CO -0.53 0.46 -0.05 0.78 0.86 0.00 0.00 177.93 179.45 3i04 h GLY 28 N 0.83 0.81 0.98 2.45 0.00 -0.49 -1.75 103.07 105.90 3i04 h GLY 28 Ca 0.27 -0.57 -0.11 0.00 0.00 0.00 0.00 47.33 46.92 3i04 h GLY 28 CO -0.10 0.52 -0.22 0.00 0.00 0.00 0.00 176.54 176.74 3i04 h ALA 29 N 1.25 0.48 -0.34 3.60 0.00 -0.20 0.14 119.26 124.19 3i04 h ALA 29 Ca 0.13 -0.37 0.06 0.00 0.00 0.00 0.00 54.91 54.73 3i04 h ALA 29 Cb 0.50 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 3i04 h ALA 29 CO 0.03 0.44 -0.05 0.82 0.00 0.00 0.00 179.25 180.49 3i04 h ILE 30 N 0.51 0.70 -0.68 0.00 2.04 -1.12 -1.89 117.51 117.08 3i04 h ILE 30 Ca 0.07 -0.01 -0.08 0.00 1.00 0.00 0.00 64.86 65.83 3i04 h ILE 30 Cb 0.77 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 3i04 h ILE 30 CO 0.06 0.01 0.12 0.74 0.00 0.00 0.00 178.15 179.07 3i04 h THR 31 N 0.04 1.26 -0.12 -0.27 2.02 -1.11 0.48 112.91 115.22 3i04 h THR 31 Ca 0.16 -1.04 -0.19 0.00 0.77 0.00 0.00 66.41 66.12 3i04 h THR 31 Cb 0.24 0.61 0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3i04 h THR 31 CO -0.31 0.39 -0.65 0.00 0.37 0.00 0.00 175.52 175.32 3i04 h ALA 32 N 1.06 0.24 -0.07 6.16 0.00 -0.83 -1.78 119.26 124.05 3i04 h ALA 32 Ca 0.21 -0.56 -0.20 0.00 0.00 0.00 0.00 54.91 54.37 3i04 h ALA 32 Cb 0.44 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3i04 h ALA 32 CO 0.01 0.53 -0.78 1.79 0.00 0.00 0.00 179.25 180.80 3i04 h THR 33 N 0.32 1.38 -0.27 0.00 1.35 -1.20 -0.29 112.91 114.20 3i04 h THR 33 Ca -0.05 -2.20 -0.17 0.00 -0.55 0.00 0.00 66.41 63.44 3i04 h THR 33 Cb 1.29 2.17 0.00 0.00 -1.73 0.00 0.00 68.15 69.88 3i04 h THR 33 CO 0.13 0.66 -0.51 0.28 -0.25 0.00 0.00 175.52 175.84 3i04 h SER 34 N 0.28 0.91 -0.27 5.36 0.02 -0.94 -1.47 113.55 117.44 3i04 h SER 34 Ca -0.04 -0.54 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 3i04 h SER 34 Cb 1.37 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 3i04 h SER 34 CO 0.14 1.28 0.17 0.22 -1.14 0.00 0.00 176.83 177.49 3i04 h TYR 35 N 0.58 0.34 -0.56 3.45 3.20 -1.28 -1.38 116.97 121.32 3i04 h TYR 35 Ca 0.01 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.93 3i04 h TYR 35 Cb 1.12 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 39.23 3i04 h TYR 35 CO 0.08 0.22 0.30 0.00 -1.64 0.00 0.00 178.16 177.12 3i04 h ALA 36 N 1.09 0.72 -0.15 1.82 0.00 -1.02 -1.97 119.26 119.75 3i04 h ALA 36 Ca 0.10 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.06 3i04 h ALA 36 Cb -0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3i04 h ALA 36 CO -0.02 -0.03 -0.05 1.49 0.00 0.00 0.00 179.25 180.63 3i04 h GLU 37 N 0.57 -0.02 -0.29 0.00 4.22 -0.94 0.15 114.58 118.27 3i04 h GLU 37 Ca 0.24 0.00 0.04 0.00 0.08 0.00 0.00 59.36 59.73 3i04 h GLU 37 Cb 0.13 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 3i04 h GLU 37 CO -0.16 -0.02 0.03 0.82 -2.18 0.00 0.00 179.01 177.51 3i04 h ILE 38 N -0.03 0.83 -0.60 2.32 2.04 -1.00 -0.10 117.51 120.97 3i04 h ILE 38 Ca 0.08 -0.04 -0.09 0.00 1.00 0.00 0.00 64.86 65.80 3i04 h ILE 38 Cb 0.14 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 3i04 h ILE 38 CO -0.17 0.02 0.02 -0.07 0.00 0.00 0.00 178.15 177.95 3i04 h LEU 39 N 0.13 1.02 -0.17 1.44 3.38 -1.12 -1.97 115.31 118.01 3i04 h LEU 39 Ca 0.14 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3i04 h LEU 39 Cb 0.16 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3i04 h LEU 39 CO -0.20 1.07 0.04 0.25 0.09 0.00 0.00 178.44 179.68 3i04 h LEU 40 N 0.94 0.27 -0.70 1.67 5.85 -0.32 -1.44 115.31 121.58 3i04 h LEU 40 Ca 0.17 -0.24 -0.14 0.00 0.84 0.00 0.00 57.88 58.52 3i04 h LEU 40 Cb 0.53 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 3i04 h LEU 40 CO 0.03 0.44 -0.65 0.78 -0.34 0.00 0.00 178.44 178.70 3i04 h ASN 41 N 0.09 0.00 -0.30 1.25 2.35 -1.02 -1.00 115.58 116.95 3i04 h ASN 41 Ca 0.05 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.73 3i04 h ASN 41 Cb 0.28 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 3i04 h ASN 41 CO 0.00 0.65 -0.10 -0.61 -1.65 0.00 0.00 177.43 175.71 3i04 h GLN 42 N 0.00 0.59 -0.84 0.81 5.75 -1.33 -1.29 115.11 118.81 3i04 h GLN 42 Ca -0.01 -0.24 0.05 0.00 -0.15 0.00 0.00 58.65 58.31 3i04 h GLN 42 Cb 1.15 -0.03 -0.06 0.00 1.07 0.00 0.00 27.48 29.61 3i04 h GLN 42 CO 0.08 0.80 0.52 0.00 -2.65 0.00 0.00 178.83 177.59 3i04 h ALA 43 N 0.77 1.14 -0.36 3.38 0.00 -0.94 -0.62 119.26 122.63 3i04 h ALA 43 Ca 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3i04 h ALA 43 Cb 0.60 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3i04 h ALA 43 CO 0.04 0.29 0.18 0.82 0.00 0.00 0.00 179.25 180.58 3i04 h ILE 44 N 0.97 1.16 -0.67 0.00 2.04 -1.09 0.12 117.51 120.03 3i04 h ILE 44 Ca 0.36 -0.43 0.08 0.00 1.00 0.00 0.00 64.86 65.87 3i04 h ILE 44 Cb 0.13 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 3i04 h ILE 44 CO -0.16 0.16 0.45 0.03 0.00 0.00 0.00 178.15 178.63 3i04 h ARG 45 N 0.45 0.58 0.10 2.37 3.08 -0.92 0.25 114.38 120.29 3i04 h ARG 45 Ca 0.12 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 60.01 3i04 h ARG 45 Cb 0.09 -0.13 0.02 0.00 0.08 0.00 0.00 29.97 30.03 3i04 h ARG 45 CO -0.02 0.38 -0.58 1.15 -1.07 0.00 0.00 179.97 179.83 3i04 h THR 46 N 0.60 1.59 0.00 2.04 2.02 -0.56 -3.39 112.91 115.22 3i04 h THR 46 Ca 0.30 -2.48 0.00 0.00 0.77 0.00 0.00 66.41 65.00 3i04 h THR 46 Cb 0.40 3.26 0.00 0.00 -1.74 0.00 0.00 68.15 70.07 3i04 h THR 46 CO -0.10 0.69 -0.76 -1.22 0.37 0.00 0.00 175.52 174.49 3i04 n TYR 47 N -4.27 0.00 0.00 3.16 4.01 0.36 -5.10 117.16 115.33 3i04 n TYR 47 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 3i04 n TYR 47 Cb 0.72 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.68 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 1.53 0.67 0.30 2.72 0.00 0.86 -4.37 105.19 106.89 3i04 n GLY 48 Ca 0.00 -1.69 0.19 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.92 -2.96 132.00 128.86 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 0.01 -0.42 -0.25 -0.23 0.00 0.00 178.00 177.11 3i04 n ASP 50 N -3.12 0.52 -4.72 1.44 8.00 -1.26 -0.57 116.55 116.84 3i04 n ASP 50 Ca -0.01 -0.28 -0.42 0.00 0.71 0.00 0.00 54.79 54.80 3i04 n ASP 50 Cb 0.23 0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.47 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 -2.93 3.05 0.76 1.24 2.46 -1.12 -4.76 115.29 113.99 3i04 s HIS 51 Ca 0.13 0.64 -0.15 0.00 0.47 0.00 0.00 55.06 56.15 3i04 s HIS 51 Cb 0.18 -3.93 0.04 0.00 -0.13 0.00 0.00 32.58 28.73 3i04 s HIS 51 CO 0.66 -3.43 1.09 -2.30 -2.47 0.00 0.00 174.74 168.29 3i04 n PRO 52 N 3.84 0.41 -3.76 2.88 -0.02 -1.26 -0.61 135.00 136.49 3i04 n PRO 52 Ca 0.13 0.21 -0.13 0.00 -2.02 0.00 0.00 63.50 61.69 3i04 n PRO 52 Cb 0.38 -2.34 -0.11 0.00 -0.02 0.00 0.00 33.50 31.41 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 -1.92 -0.00 -3.90 -1.45 0.11 -0.24 -4.60 120.40 108.40 3i04 s VAL 53 Ca 0.74 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.80 3i04 s VAL 53 Cb -0.32 -0.46 0.00 0.00 -1.53 0.00 0.00 36.38 34.06 3i04 s VAL 53 CO 0.50 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.88 3i04 n GLY 54 N 3.03 -1.85 3.52 6.54 0.00 -1.26 -4.41 105.19 110.76 3i04 n GLY 54 Ca -0.14 -1.19 -0.26 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.59 2.48 0.55 1.61 4.12 -1.26 -4.76 117.35 117.50 3i04 s TYR 55 Ca 0.00 -0.28 -0.17 0.00 0.02 0.00 0.00 57.07 56.64 3i04 s TYR 55 Cb 0.00 -1.18 -0.06 0.00 -1.52 0.00 0.00 41.96 39.20 3i04 s TYR 55 CO 0.00 0.55 1.03 -1.25 0.02 0.00 0.00 175.55 175.90 3i04 s PRO 56 N -2.97 3.58 -1.41 -1.71 0.04 -1.26 -4.35 135.00 126.91 3i04 s PRO 56 Ca 0.25 1.15 -0.09 0.00 0.04 0.00 0.00 61.00 62.36 3i04 s PRO 56 Cb -0.08 -2.07 0.04 0.00 0.04 0.00 0.00 34.50 32.43 3i04 s PRO 56 CO 0.14 -0.60 0.99 -0.25 0.04 0.00 0.00 177.00 177.33 3i04 n ASP 57 N -1.74 -4.37 -3.87 6.66 8.00 -1.26 -4.67 116.55 115.31 3i04 n ASP 57 Ca 0.08 -0.70 -0.12 0.00 0.71 0.00 0.00 54.79 54.76 3i04 n ASP 57 Cb 0.53 -4.36 -0.13 0.00 -0.02 0.00 0.00 41.12 37.14 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 -3.38 0.01 -1.76 -3.53 -1.32 -1.26 -0.64 115.64 103.76 3i04 s THR 58 Ca 0.47 -0.11 0.27 0.00 -1.21 0.00 0.00 61.69 61.10 3i04 s THR 58 Cb -0.22 -0.10 0.32 0.00 -1.51 0.00 0.00 72.50 70.99 3i04 s THR 58 CO 0.79 -0.06 1.63 0.00 -2.21 0.00 0.00 174.62 174.77 3i04 n ALA 59 N 2.86 2.99 -1.02 11.08 0.00 -1.26 -4.57 120.51 130.58 3i04 n ALA 59 Ca -0.14 -0.38 0.02 0.00 0.00 0.00 0.00 53.44 52.95 3i04 n ALA 59 Cb 0.59 -1.18 0.32 0.00 0.00 0.00 0.00 19.45 19.18 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 -0.68 1.85 0.00 0.00 4.02 -1.26 -5.03 117.16 116.07 3i04 n TYR 60 Ca 0.13 -1.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.02 3i04 n TYR 60 Cb 0.33 -0.52 0.00 0.00 -0.02 0.00 0.00 39.34 39.13 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 -0.07 0.00 -3.14 -0.72 4.02 -1.26 -2.68 117.16 113.31 3i04 n TYR 61 Ca 0.31 0.00 -0.45 0.00 -0.01 0.00 0.00 57.90 57.76 3i04 n TYR 61 Cb 1.18 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 40.45 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 5.34 0.49 7.72 1.43 -1.26 -4.49 118.68 127.91 3i04 s LEU 62 Ca 0.00 -1.34 0.19 0.00 -1.03 0.00 0.00 54.13 51.96 3i04 s LEU 62 Cb 0.00 -2.33 1.23 0.00 0.03 0.00 0.00 46.19 45.13 3i04 s LEU 62 CO 0.00 -1.04 2.06 -0.65 0.23 0.00 0.00 176.35 176.95 3i04 h PRO 63 N 9.12 0.00 -0.33 1.29 0.11 -1.84 -1.06 132.00 139.30 3i04 h PRO 63 Ca -0.29 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.82 3i04 h PRO 63 Cb 1.09 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3i04 h PRO 63 CO 1.06 0.13 0.20 0.28 -0.21 0.00 0.00 178.00 179.46 3i04 h VAL 64 N 0.00 1.11 -0.10 3.15 2.07 -1.87 0.45 116.25 121.07 3i04 h VAL 64 Ca -0.00 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 3i04 h VAL 64 Cb 0.25 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3i04 h VAL 64 CO 0.02 0.11 -0.07 0.40 0.02 0.00 0.00 177.57 178.04 3i04 h ILE 65 N 0.42 1.34 -0.59 4.57 2.04 -1.75 -1.45 117.51 122.10 3i04 h ILE 65 Ca 0.12 -1.17 0.08 0.00 1.00 0.00 0.00 64.86 64.89 3i04 h ILE 65 Cb 0.01 1.90 -0.07 0.00 -0.74 0.00 0.00 36.82 37.92 3i04 h ILE 65 CO -0.02 0.33 0.24 -0.09 0.00 0.00 0.00 178.15 178.61 3i04 h ARG 66 N -0.16 0.42 0.69 2.37 9.65 -1.18 0.14 114.38 126.31 3i04 h ARG 66 Ca 0.02 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.84 3i04 h ARG 66 Cb 0.56 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.05 3i04 h ARG 66 CO 0.02 0.28 -0.36 0.00 2.80 0.00 0.00 179.97 182.71 3i04 h PHE 68 N -0.96 0.00 0.00 0.00 0.04 -1.17 0.44 116.94 115.29 3i04 h PHE 68 Ca -0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.68 3i04 h PHE 68 Cb 0.75 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.90 3i04 h PHE 68 CO 0.02 0.88 -0.46 -1.13 -0.60 0.00 0.00 178.31 177.03 3i04 n SER 69 N -3.20 2.30 0.00 2.17 3.41 -0.48 -4.19 113.62 113.63 3i04 n SER 69 Ca -0.05 -0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.37 3i04 n SER 69 Cb 0.93 0.83 0.00 0.00 -0.26 0.00 0.00 64.21 65.71 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 1.52 0.36 3.77 5.00 0.00 0.35 -4.49 105.19 111.70 3i04 n GLY 70 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.98 4.16 -1.10 1.61 8.01 -1.25 -4.78 118.70 124.38 3i04 s GLU 71 Ca 0.00 2.00 -0.12 0.00 0.01 0.00 0.00 54.97 56.86 3i04 s GLU 71 Cb 0.00 -2.84 0.23 0.00 -4.31 0.00 0.00 34.13 27.21 3i04 s GLU 71 CO 0.00 -0.28 1.17 -1.21 0.01 0.00 0.00 175.26 174.95 3i04 s GLU 72 N -2.08 4.06 0.02 1.61 2.02 -1.26 -3.83 118.70 119.24 3i04 s GLU 72 Ca 0.54 -2.85 -0.30 0.00 0.02 0.00 0.00 54.97 52.37 3i04 s GLU 72 Cb -0.35 -4.71 -0.05 0.00 0.10 0.00 0.00 34.13 29.12 3i04 s GLU 72 CO 0.45 -1.44 1.18 0.08 0.02 0.00 0.00 175.26 175.55 3i04 s VAL 73 N -0.01 4.17 0.00 2.63 1.01 -1.26 -4.84 120.40 122.10 3i04 s VAL 73 Ca 0.33 1.54 0.00 0.00 0.00 0.00 0.00 61.98 63.85 3i04 s VAL 73 Cb -0.08 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.31 3i04 s VAL 73 CO -0.06 0.09 0.00 0.29 0.00 0.00 0.00 175.10 175.42 3i04 n LYS 74 N 4.27 2.27 -4.08 2.72 5.02 -1.26 -4.46 118.16 122.64 3i04 n LYS 74 Ca 0.09 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.30 3i04 n LYS 74 Cb 0.47 -0.78 -0.10 0.00 -0.02 0.00 0.00 35.03 34.60 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 -1.49 0.59 0.28 1.97 -2.85 -1.26 -1.07 119.74 115.90 3i04 s LYS 75 Ca 0.00 -1.09 0.01 0.00 -1.00 0.00 0.00 55.97 53.89 3i04 s LYS 75 Cb 0.00 0.07 0.63 0.00 -2.06 0.00 0.00 37.83 36.47 3i04 s LYS 75 CO 0.00 -0.07 1.72 -0.07 0.10 0.00 0.00 175.35 177.04 3i04 h LEU 76 N 3.50 0.40 -2.23 2.77 3.38 -0.78 -0.73 115.31 121.63 3i04 h LEU 76 Ca -0.34 0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3i04 h LEU 76 Cb 1.16 0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3i04 h LEU 76 CO 0.59 0.09 0.00 1.23 0.09 0.00 0.00 178.44 180.44 3i04 h GLY 77 N 0.49 0.00 2.00 0.83 0.00 -1.11 -1.99 103.07 103.29 3i04 h GLY 77 Ca 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.81 3i04 h GLY 77 CO -0.45 0.00 -0.15 -0.55 0.00 0.00 0.00 176.54 175.39 3i04 h ASP 78 N 0.00 0.00 0.29 0.19 3.45 -1.38 -3.39 116.42 115.58 3i04 h ASP 78 Ca 0.00 0.00 -0.33 0.00 0.43 0.00 0.00 57.03 57.13 3i04 h ASP 78 Cb 0.04 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.80 3i04 h ASP 78 CO 0.00 0.15 -1.78 -0.07 -1.57 0.00 0.00 179.24 175.97 3i04 h LEU 79 N 0.00 0.37 -0.72 1.55 3.38 -1.51 -3.38 115.31 115.00 3i04 h LEU 79 Ca -0.00 -0.67 0.15 0.00 0.09 0.00 0.00 57.88 57.44 3i04 h LEU 79 Cb 0.70 -0.12 -0.10 0.00 0.09 0.00 0.00 40.66 41.23 3i04 h LEU 79 CO 0.02 1.59 0.21 -0.65 0.09 0.00 0.00 178.44 179.69 3i04 h PRO 80 N 0.07 0.31 -0.69 1.13 0.11 -1.75 0.48 132.00 131.65 3i04 h PRO 80 Ca -0.34 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.72 3i04 h PRO 80 Cb 2.04 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 33.05 3i04 h PRO 80 CO 0.12 0.21 0.29 -1.35 -0.21 0.00 0.00 178.00 177.06 3i04 h PRO 81 N 0.32 1.01 -0.08 1.05 0.11 -1.86 -1.11 132.00 131.44 3i04 h PRO 81 Ca 0.40 -0.17 -0.01 0.00 0.11 0.00 0.00 66.00 66.33 3i04 h PRO 81 Cb 0.64 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.58 3i04 h PRO 81 CO -0.46 0.83 0.03 0.82 -0.21 0.00 0.00 178.00 179.01 3i04 h ILE 82 N 0.97 1.16 -0.68 4.15 2.04 -1.54 -2.66 117.51 120.94 3i04 h ILE 82 Ca 0.23 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.63 3i04 h ILE 82 Cb 0.18 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 3i04 h ILE 82 CO -0.02 0.13 0.43 0.25 0.00 0.00 0.00 178.15 178.94 3i04 h LEU 83 N -0.05 0.79 -1.26 1.44 5.85 -0.91 -2.93 115.31 118.25 3i04 h LEU 83 Ca 0.03 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3i04 h LEU 83 Cb 0.19 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3i04 h LEU 83 CO -0.00 0.59 0.05 0.78 -0.34 0.00 0.00 178.44 179.52 3i04 h ASN 84 N 0.93 0.52 -0.61 1.25 2.35 -0.92 0.13 115.58 119.22 3i04 h ASN 84 Ca 0.25 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.86 3i04 h ASN 84 Cb -0.08 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.13 3i04 h ASN 84 CO -0.05 0.55 0.20 0.03 -1.65 0.00 0.00 177.43 176.50 3i04 h ARG 85 N 0.54 0.97 -0.06 0.81 3.08 -1.29 -0.87 114.38 117.56 3i04 h ARG 85 Ca 0.12 -0.19 -0.23 0.00 0.07 0.00 0.00 59.98 59.75 3i04 h ARG 85 Cb 0.27 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.18 3i04 h ARG 85 CO 0.00 0.83 -0.89 0.87 -1.07 0.00 0.00 179.97 179.71 3i04 h LYS 86 N 0.94 0.62 -0.46 0.04 1.79 -1.24 -2.79 116.57 115.46 3i04 h LYS 86 Ca 0.21 -0.59 0.03 0.00 -2.18 0.00 0.00 60.65 58.13 3i04 h LYS 86 Cb 0.27 0.15 -0.04 0.00 -1.58 0.00 0.00 32.23 31.03 3i04 h LYS 86 CO -0.01 1.20 0.25 -0.09 -1.08 0.00 0.00 179.45 179.72 3i04 h ARG 87 N 0.38 0.48 0.00 3.15 2.43 -0.44 -2.34 114.38 118.04 3i04 h ARG 87 Ca -0.08 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 3i04 h ARG 87 Cb 1.52 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.96 3i04 h ARG 87 CO 0.17 0.32 -0.09 0.00 -1.51 0.00 0.00 179.97 178.86 3i04 h ALA 88 N 1.23 1.49 -0.01 2.80 0.00 -1.17 -3.02 119.26 120.59 3i04 h ALA 88 Ca 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3i04 h ALA 88 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3i04 h ALA 88 CO -0.12 0.11 -0.10 0.00 0.00 0.00 0.00 179.25 179.14 3i04 n GLN 89 N -3.90 1.08 -2.64 0.00 10.64 -0.89 -4.71 117.38 116.95 3i04 n GLN 89 Ca -0.02 -0.51 -0.43 0.00 -1.83 0.00 0.00 57.00 54.21 3i04 n GLN 89 Cb 0.18 -1.49 -0.02 0.00 -0.86 0.00 0.00 30.24 28.05 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 -2.27 4.35 -0.04 -0.39 1.01 -1.14 -4.55 120.40 117.36 3i04 s VAL 90 Ca 0.33 1.35 0.04 0.00 0.00 0.00 0.00 61.98 63.70 3i04 s VAL 90 Cb 0.20 -4.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 3i04 s VAL 90 CO 0.43 -0.79 -0.14 -0.55 0.00 0.00 0.00 175.10 174.04 3i04 s SER 91 N 2.15 4.02 0.00 3.32 0.15 -1.26 -4.99 113.70 117.08 3i04 s SER 91 Ca 0.46 -0.21 0.29 0.00 0.70 0.00 0.00 55.95 57.19 3i04 s SER 91 Cb -0.09 -0.84 1.57 0.00 -1.71 0.00 0.00 66.02 64.96 3i04 s SER 91 CO 0.25 0.34 2.04 -0.81 1.20 0.00 0.00 173.24 176.26 3i04 n PRO 92 N 2.24 0.60 -2.77 5.44 -0.04 -1.26 -4.62 135.00 134.58 3i04 n PRO 92 Ca -0.17 0.01 -0.43 0.00 -0.04 0.00 0.00 63.50 62.87 3i04 n PRO 92 Cb 0.52 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.44 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 -2.37 4.29 -0.45 0.52 1.01 -1.26 -4.96 120.40 117.19 3i04 s VAL 93 Ca 0.34 0.40 -0.23 0.00 0.00 0.00 0.00 61.98 62.48 3i04 s VAL 93 Cb 0.20 -4.59 0.02 0.00 0.00 0.00 0.00 36.38 32.01 3i04 s VAL 93 CO 0.41 -1.19 0.81 -0.76 0.00 0.00 0.00 175.10 174.36 3i04 s LEU 94 N 4.22 4.21 0.37 3.92 1.43 -1.26 -4.77 118.68 126.79 3i04 s LEU 94 Ca 0.33 -0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 53.26 3i04 s LEU 94 Cb -0.11 -3.00 0.04 0.00 0.03 0.00 0.00 46.19 43.14 3i04 s LEU 94 CO 0.20 -0.93 0.70 0.54 0.23 0.00 0.00 176.35 177.10 3i04 s ASN 95 N 2.14 0.24 0.09 2.29 2.20 -1.26 -5.03 114.94 115.61 3i04 s ASN 95 Ca 0.31 -1.21 -0.17 0.00 -0.94 0.00 0.00 52.86 50.85 3i04 s ASN 95 Cb -0.12 0.79 -0.07 0.00 -2.00 0.00 0.00 41.25 39.86 3i04 s ASN 95 CO 0.23 -1.57 1.51 0.15 -2.94 0.00 0.00 177.10 174.48 3i04 h PHE 96 N 2.03 0.60 -0.56 1.54 -0.00 -1.99 0.79 116.94 119.35 3i04 h PHE 96 Ca -0.31 -0.12 -0.07 0.00 -0.00 0.00 0.00 57.97 57.48 3i04 h PHE 96 Cb 1.25 -0.15 -0.02 0.00 -0.00 0.00 0.00 35.95 37.03 3i04 h PHE 96 CO 1.35 0.71 0.07 1.49 -0.00 0.00 0.00 178.31 181.93 3i04 h GLU 97 N 0.32 0.94 -0.23 1.11 4.81 -1.97 -1.22 114.58 118.35 3i04 h GLU 97 Ca 0.08 -0.26 -0.10 0.00 -0.13 0.00 0.00 59.36 58.95 3i04 h GLU 97 Cb 0.49 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 3i04 h GLU 97 CO 0.02 0.91 -0.28 -0.91 -0.73 0.00 0.00 179.01 178.02 3i04 h ASN 98 N 0.83 0.45 -0.77 1.04 2.35 -1.82 -1.48 115.58 116.18 3i04 h ASN 98 Ca 0.17 -0.16 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 3i04 h ASN 98 Cb 0.44 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.65 3i04 h ASN 98 CO 0.01 0.72 0.35 0.00 -1.65 0.00 0.00 177.43 176.87 3i04 h ALA 99 N 1.32 1.00 -0.42 -0.83 0.00 -0.11 -0.16 119.26 120.06 3i04 h ALA 99 Ca 0.05 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 3i04 h ALA 99 Cb 0.69 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3i04 h ALA 99 CO 0.05 0.58 -0.16 0.00 0.00 0.00 0.00 179.25 179.72 3i04 h ARG 100 N 1.10 0.79 -0.34 0.00 3.08 -1.01 -0.07 114.38 117.92 3i04 h ARG 100 Ca 0.26 -0.29 -0.10 0.00 0.07 0.00 0.00 59.98 59.92 3i04 h ARG 100 Cb 0.15 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 3i04 h ARG 100 CO -0.03 0.90 -0.21 -0.07 -1.07 0.00 0.00 179.97 179.49 3i04 h LEU 101 N 0.70 0.66 -0.65 3.04 3.38 -0.98 -1.37 115.31 120.10 3i04 h LEU 101 Ca 0.11 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 3i04 h LEU 101 Cb 0.66 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3i04 h LEU 101 CO 0.05 0.87 0.20 0.00 0.09 0.00 0.00 178.44 179.64 3i04 h ALA 102 N 1.19 0.85 -0.53 1.53 0.00 -0.86 -1.15 119.26 120.28 3i04 h ALA 102 Ca 0.09 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 54.89 3i04 h ALA 102 Cb 0.68 -0.25 -0.10 0.00 0.00 0.00 0.00 17.79 18.11 3i04 h ALA 102 CO 0.05 0.53 -0.17 0.78 0.00 0.00 0.00 179.25 180.44 3i04 h GLY 103 N 0.94 0.31 1.12 0.00 0.00 -0.58 -0.72 103.07 104.13 3i04 h GLY 103 Ca 0.21 0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.70 3i04 h GLY 103 CO -0.01 -0.21 0.22 -2.09 0.00 0.00 0.00 176.54 174.45 3i04 h GLU 104 N -0.04 1.11 -0.83 4.80 4.81 -1.00 -1.48 114.58 121.95 3i04 h GLU 104 Ca 0.25 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3i04 h GLU 104 Cb 0.43 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 3i04 h GLU 104 CO -0.57 0.95 0.49 0.00 -0.73 0.00 0.00 179.01 179.14 3i04 h ALA 105 N 1.17 1.30 -0.38 2.92 0.00 -0.89 -2.03 119.26 121.34 3i04 h ALA 105 Ca 0.23 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 3i04 h ALA 105 Cb 0.30 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3i04 h ALA 105 CO -0.01 0.59 -0.34 1.15 0.00 0.00 0.00 179.25 180.65 3i04 h THR 106 N 1.14 1.28 -0.74 0.00 2.02 -0.70 0.05 112.91 115.96 3i04 h THR 106 Ca 0.30 -1.50 -0.05 0.00 0.77 0.00 0.00 66.41 65.92 3i04 h THR 106 Cb -0.03 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 3i04 h THR 106 CO -0.05 0.50 0.25 -0.50 0.37 0.00 0.00 175.52 176.09 3i04 h TRP 107 N 0.73 1.15 -0.41 3.16 4.06 -1.09 0.16 115.95 123.71 3i04 h TRP 107 Ca 0.07 -0.10 -0.06 0.00 2.06 0.00 0.00 58.89 60.86 3i04 h TRP 107 Cb 0.91 -0.34 -0.02 0.00 -1.00 0.00 0.00 29.16 28.71 3i04 h TRP 107 CO 0.05 0.90 0.03 1.88 -3.56 0.00 0.00 178.44 177.74 3i04 h TYR 108 N 1.08 0.75 -0.40 0.49 0.99 -1.08 -1.18 116.97 117.62 3i04 h TYR 108 Ca 0.24 -0.12 0.03 0.00 2.00 0.00 0.00 58.73 60.88 3i04 h TYR 108 Cb 0.27 -0.20 -0.03 0.00 1.00 0.00 0.00 36.73 37.77 3i04 h TYR 108 CO 0.02 0.75 0.21 0.00 -0.00 0.00 0.00 178.16 179.14 3i04 h ALA 109 N 0.91 0.50 -0.46 3.88 0.00 -0.74 -1.72 119.26 121.61 3i04 h ALA 109 Ca 0.12 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3i04 h ALA 109 Cb 0.43 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3i04 h ALA 109 CO 0.01 -0.14 -0.05 0.00 0.00 0.00 0.00 179.25 179.07 3i04 h ALA 110 N 1.20 1.03 -0.55 0.00 0.00 -0.56 -1.23 119.26 119.16 3i04 h ALA 110 Ca 0.17 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3i04 h ALA 110 Cb 0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3i04 h ALA 110 CO -0.10 0.59 0.33 1.49 0.00 0.00 0.00 179.25 181.56 3i04 h GLU 111 N 0.74 0.74 -0.40 0.00 4.57 -0.98 -0.93 114.58 118.32 3i04 h GLU 111 Ca 0.13 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.20 3i04 h GLU 111 Cb 0.53 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.94 3i04 h GLU 111 CO 0.03 0.54 0.06 0.82 -1.18 0.00 0.00 179.01 179.28 3i04 h ILE 112 N 0.74 1.24 -0.65 2.32 2.04 -1.11 -1.24 117.51 120.84 3i04 h ILE 112 Ca 0.20 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 3i04 h ILE 112 Cb -0.01 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 3i04 h ILE 112 CO -0.04 0.30 0.38 0.40 0.00 0.00 0.00 178.15 179.20 3i04 h ILE 113 N 0.52 1.20 -0.43 -0.67 2.04 -1.01 -1.76 117.51 117.39 3i04 h ILE 113 Ca 0.12 -0.45 -0.07 0.00 1.00 0.00 0.00 64.86 65.46 3i04 h ILE 113 Cb 0.38 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 3i04 h ILE 113 CO 0.01 0.21 0.01 -0.33 0.00 0.00 0.00 178.15 178.05 3i04 h GLU 114 N 0.89 0.76 -0.71 2.37 4.39 -1.14 -1.42 114.58 119.72 3i04 h GLU 114 Ca 0.23 -0.23 0.05 0.00 0.34 0.00 0.00 59.36 59.75 3i04 h GLU 114 Cb -0.00 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.52 3i04 h GLU 114 CO -0.04 0.82 0.42 0.00 -1.16 0.00 0.00 179.01 179.05 3i04 h ALA 115 N 0.91 0.95 -0.06 3.43 0.00 -0.99 -1.31 119.26 122.19 3i04 h ALA 115 Ca 0.13 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3i04 h ALA 115 Cb 0.47 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3i04 h ALA 115 CO 0.02 0.14 0.04 -0.07 0.00 0.00 0.00 179.25 179.38 3i04 h LEU 116 N 0.79 0.07 -0.91 0.00 3.38 -1.19 -2.23 115.31 115.22 3i04 h LEU 116 Ca 0.31 -0.04 0.25 0.00 0.09 0.00 0.00 57.88 58.49 3i04 h LEU 116 Cb 0.13 -0.02 -0.16 0.00 0.09 0.00 0.00 40.66 40.70 3i04 h LEU 116 CO -0.15 0.09 0.15 0.03 0.09 0.00 0.00 178.44 178.65 3i04 h ARG 117 N 0.05 0.11 0.00 1.13 3.08 -0.97 -1.15 114.38 116.62 3i04 h ARG 117 Ca 0.02 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3i04 h ARG 117 Cb 0.03 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3i04 h ARG 117 CO -0.00 0.07 0.00 0.66 -1.07 0.00 0.00 179.97 179.63 3i04 n TYR 118 N -5.33 0.00 0.31 3.04 4.01 -0.52 -1.72 117.16 116.95 3i04 n TYR 118 Ca 0.22 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 58.14 3i04 n TYR 118 Cb 0.72 -0.19 1.00 0.00 -0.31 0.00 0.00 39.34 40.56 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 -1.44 7.72 3.38 -1.06 -2.10 115.31 121.82 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 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3i04 h LEU 119 CO 0.00 0.02 -0.12 0.29 0.09 0.00 0.00 178.44 178.71 3i04 n LYS 120 N -3.51 1.85 -2.49 1.13 4.76 -0.70 -4.95 118.16 114.25 3i04 n LYS 120 Ca -0.03 -1.44 -0.40 0.00 -2.87 0.00 0.00 58.31 53.57 3i04 n LYS 120 Cb 0.11 -1.47 -0.04 0.00 -1.84 0.00 0.00 35.03 31.78 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 -2.14 3.61 0.03 2.13 5.04 -0.79 -4.94 117.35 120.29 3i04 s TYR 121 Ca 0.27 1.71 0.03 0.00 -2.44 0.00 0.00 57.07 56.65 3i04 s TYR 121 Cb 0.20 -3.26 -0.02 0.00 0.35 0.00 0.00 41.96 39.22 3i04 s TYR 121 CO 0.38 -0.48 -0.09 0.15 -1.34 0.00 0.00 175.55 174.18 3i04 s LYS 122 N -1.43 0.58 0.37 4.97 1.02 -1.16 -5.02 119.74 119.07 3i04 s LYS 122 Ca 0.44 -0.63 0.09 0.00 0.02 0.00 0.00 55.97 55.90 3i04 s LYS 122 Cb -0.32 -0.46 0.85 0.00 -0.52 0.00 0.00 37.83 37.39 3i04 s LYS 122 CO 0.40 0.10 1.91 -1.00 -0.92 0.00 0.00 175.35 175.85 3i04 h PRO 123 N 4.93 0.63 0.00 -1.68 0.13 -2.01 0.25 132.00 134.25 3i04 h PRO 123 Ca -0.34 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3i04 h PRO 123 Cb 1.20 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3i04 h PRO 123 CO 0.43 0.42 0.00 0.38 -0.23 0.00 0.00 178.00 179.00 3i04 h ASP 124 N 0.65 0.00 -2.49 1.44 -0.00 -2.02 -3.40 116.42 110.60 3i04 h ASP 124 Ca 0.38 0.00 -0.59 0.00 -0.00 0.00 0.00 57.03 56.82 3i04 h ASP 124 Cb 0.58 0.00 -0.39 0.00 -0.00 0.00 0.00 39.33 39.52 3i04 h ASP 124 CO -0.15 0.00 -0.88 -0.62 -0.00 0.00 0.00 179.24 177.59 3i04 n GLU 125 N -2.41 0.69 -1.25 4.15 1.02 0.88 -5.12 120.64 118.60 3i04 n GLU 125 Ca 0.03 -3.53 -0.31 0.00 -0.02 0.00 0.00 57.16 53.33 3i04 n GLU 125 Cb 0.32 -1.79 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 -0.49 2.18 0.37 3.49 0.04 -1.23 -2.98 135.00 136.37 3i04 s PRO 126 Ca 0.32 1.25 0.15 0.00 0.04 0.00 0.00 61.00 62.75 3i04 s PRO 126 Cb 0.04 -1.88 0.71 0.00 0.04 0.00 0.00 34.50 33.41 3i04 s PRO 126 CO -0.18 -1.71 1.79 -0.07 0.04 0.00 0.00 177.00 176.87 3i04 h LEU 127 N -1.07 0.00 -8.03 -3.56 3.38 -1.92 -3.44 115.31 100.68 3i04 h LEU 127 Ca -0.44 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.19 3i04 h LEU 127 Cb 1.24 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.72 3i04 h LEU 127 CO 0.50 0.40 -0.76 -0.76 0.09 0.00 0.00 178.44 177.91 3i04 s LEU 128 N -7.80 2.08 0.68 1.67 1.43 -1.26 -5.16 118.68 110.31 3i04 s LEU 128 Ca -0.02 -0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 52.73 3i04 s LEU 128 Cb 0.13 -0.32 -0.00 0.00 0.03 0.00 0.00 46.19 46.03 3i04 s LEU 128 CO 0.71 0.01 1.05 -2.16 0.23 0.00 0.00 176.35 176.20 3i04 s PRO 129 N -0.55 3.11 0.47 1.29 0.04 -1.26 -4.85 135.00 133.26 3i04 s PRO 129 Ca -0.00 0.84 -0.22 0.00 0.04 0.00 0.00 61.00 61.66 3i04 s PRO 129 Cb -0.05 -2.02 -0.10 0.00 0.04 0.00 0.00 34.50 32.38 3i04 s PRO 129 CO 0.00 -0.94 0.75 -2.30 0.04 0.00 0.00 177.00 174.55 3i04 n PRO 130 N -3.01 0.86 0.00 0.56 -0.02 -1.26 -2.24 135.00 129.89 3i04 n PRO 130 Ca 0.07 0.32 0.15 0.00 -2.02 0.00 0.00 63.50 62.01 3i04 n PRO 130 Cb 0.54 -1.81 0.70 0.00 -0.02 0.00 0.00 33.50 32.91 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 0.10 1.11 -1.54 0.52 -0.04 -1.26 -5.10 135.00 128.79 3i04 n PRO 131 Ca 0.11 -0.39 -0.37 0.00 -0.04 0.00 0.00 63.50 62.82 3i04 n PRO 131 Cb 0.42 -1.49 0.07 0.00 -0.04 0.00 0.00 33.50 32.45 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 -0.61 0.86 -0.06 0.54 8.01 -0.95 -4.43 117.44 120.79 3i04 n TRP 132 Ca 0.19 0.42 -0.08 0.00 -1.31 0.00 0.00 57.50 56.72 3i04 n TRP 132 Cb 0.24 -2.13 -0.07 0.00 -2.01 0.00 0.00 31.31 27.34 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 -2.05 0.78 -2.63 -0.99 -2.24 0.52 -4.79 114.28 102.87 3i04 n THR 133 Ca 0.14 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 3i04 n THR 133 Cb 0.48 -0.90 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 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 2.67 2.46 3.69 3.38 0.00 -0.97 -4.47 105.19 111.95 3i04 n GLY 134 Ca -0.22 -0.29 -0.44 0.00 0.00 0.00 0.00 46.02 45.06 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 14.00 2.50 -3.60 1.61 7.35 -1.26 -4.88 117.46 133.17 3i04 n PHE 135 Ca 0.00 0.20 -0.38 0.00 -0.76 0.00 0.00 57.45 56.51 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 0.83 5.28 0.85 -2.13 1.01 -1.26 -5.04 121.20 120.73 3i04 s ILE 136 Ca 0.75 0.16 -0.12 0.00 0.00 0.00 0.00 60.65 61.44 3i04 s ILE 136 Cb -0.59 -3.51 0.10 0.00 0.01 0.00 0.00 42.46 38.47 3i04 s ILE 136 CO 0.38 0.26 1.17 0.61 0.00 0.00 0.00 174.94 177.36 3i04 n GLY 137 N 4.98 -0.16 0.36 6.18 0.00 -1.26 -4.84 105.19 110.44 3i04 n GLY 137 Ca -0.14 -0.56 0.10 0.00 0.00 0.00 0.00 46.02 45.42 3i04 n GLY 137 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i04 h ASP 138 N -1.24 0.83 -0.34 1.61 3.45 -1.18 -2.50 116.42 117.05 3i04 h ASP 138 Ca -0.45 0.07 0.10 0.00 0.43 0.00 0.00 57.03 57.17 3i04 h ASP 138 Cb 1.29 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 39.95 3i04 h ASP 138 CO 0.44 0.38 0.24 -0.65 -1.57 0.00 0.00 179.24 178.08 3i04 h PRO 139 N 0.85 0.01 -0.02 3.56 0.11 -1.88 -0.45 132.00 134.18 3i04 h PRO 139 Ca 0.53 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.60 3i04 h PRO 139 Cb 0.70 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.81 3i04 h PRO 139 CO -0.30 0.01 -0.14 0.28 -0.21 0.00 0.00 178.00 177.63 3i04 h VAL 140 N 0.01 1.52 -0.69 3.15 2.07 -1.80 0.80 116.25 121.31 3i04 h VAL 140 Ca 0.16 -1.72 0.11 0.00 0.82 0.00 0.00 66.70 66.07 3i04 h VAL 140 Cb 0.63 2.59 -0.08 0.00 -1.52 0.00 0.00 31.29 32.91 3i04 h VAL 140 CO -0.00 0.47 0.29 0.58 0.02 0.00 0.00 177.57 178.92 3i04 h VAL 141 N -0.50 0.75 -0.08 2.57 2.07 -1.41 -1.78 116.25 117.87 3i04 h VAL 141 Ca -0.01 -0.16 -0.17 0.00 0.82 0.00 0.00 66.70 67.18 3i04 h VAL 141 Cb 0.84 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3i04 h VAL 141 CO 0.03 0.09 -0.68 0.03 0.02 0.00 0.00 177.57 177.06 3i04 h ARG 142 N 0.48 0.33 -0.97 1.57 3.08 -1.09 -3.06 114.38 114.73 3i04 h ARG 142 Ca 0.36 -0.26 0.14 0.00 0.07 0.00 0.00 59.98 60.30 3i04 h ARG 142 Cb 0.46 0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.47 3i04 h ARG 142 CO -0.33 0.89 0.59 -0.09 -1.07 0.00 0.00 179.97 179.95 3i04 h ARG 143 N 0.23 0.83 -0.20 0.04 2.43 0.07 -2.33 114.38 115.46 3i04 h ARG 143 Ca -0.02 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3i04 h ARG 143 Cb 1.22 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 3i04 h ARG 143 CO 0.11 0.55 0.00 1.19 -1.51 0.00 0.00 179.97 180.31 3i04 n PHE 144 N -4.71 0.24 -0.24 2.20 3.72 -1.13 -4.34 117.46 113.20 3i04 n PHE 144 Ca 0.20 -0.13 -0.03 0.00 -0.05 0.00 0.00 57.45 57.44 3i04 n PHE 144 Cb 0.43 -0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.05 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 4.33 1.00 2.00 1.37 0.00 -1.31 -2.17 103.07 108.29 3i04 h GLY 145 Ca 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 3i04 h GLY 145 CO 0.00 0.26 -0.02 1.19 0.00 0.00 0.00 176.54 177.97 3i04 h ILE 146 N 0.82 0.51 0.00 2.60 6.09 -1.76 -0.74 117.51 125.05 3i04 h ILE 146 Ca 0.28 -0.07 -0.10 0.00 -1.37 0.00 0.00 64.86 63.60 3i04 h ILE 146 Cb 0.04 1.05 -0.02 0.00 0.47 0.00 0.00 36.82 38.37 3i04 h ILE 146 CO -0.12 0.02 -0.73 0.11 -3.07 0.00 0.00 178.15 174.36 3i04 h LYS 147 N 0.00 0.00 -0.14 2.19 1.57 -1.70 -3.34 116.57 115.15 3i04 h LYS 147 Ca -0.00 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.56 3i04 h LYS 147 Cb 0.05 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.36 3i04 h LYS 147 CO 0.00 0.34 -0.77 0.52 -0.57 0.00 0.00 179.45 178.97 3i04 h MET 148 N 0.00 0.70 -0.06 3.15 2.86 -0.70 -0.25 114.93 120.64 3i04 h MET 148 Ca -0.04 -0.58 -0.03 0.00 -2.06 0.00 0.00 59.70 56.98 3i04 h MET 148 Cb 1.36 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 33.13 3i04 h MET 148 CO 0.05 1.19 -0.12 -0.39 1.06 0.00 0.00 176.91 178.69 3i04 h VAL 149 N 0.48 1.12 -0.19 -2.22 -1.51 -1.59 -1.59 116.25 110.76 3i04 h VAL 149 Ca -0.05 -0.56 0.00 0.00 -1.23 0.00 0.00 66.70 64.86 3i04 h VAL 149 Cb 1.39 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 31.77 3i04 h VAL 149 CO 0.15 0.17 0.00 -0.90 -1.23 0.00 0.00 177.57 175.76 3i04 n ASP 150 N -4.35 3.11 -0.73 4.19 3.85 -1.26 -4.71 116.55 116.65 3i04 n ASP 150 Ca -0.02 -2.70 -0.10 0.00 -0.71 0.00 0.00 54.79 51.26 3i04 n ASP 150 Cb 0.22 -0.39 -0.04 0.00 -1.35 0.00 0.00 41.12 39.56 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 -0.51 0.00 0.01 2.11 7.02 -0.60 -4.86 117.44 120.61 3i04 n TRP 151 Ca 0.16 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.75 3i04 n TRP 151 Cb 0.66 -2.02 0.55 0.00 -2.42 0.00 0.00 31.31 28.08 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 0.92 -3.27 -0.99 1.03 -1.34 -2.53 112.91 106.73 3i04 h THR 152 Ca -0.20 -0.10 -0.72 0.00 -0.01 0.00 0.00 66.41 65.38 3i04 h THR 152 Cb 0.76 0.61 -0.21 0.00 -1.07 0.00 0.00 68.15 68.23 3i04 h THR 152 CO 0.29 0.05 -0.20 -0.63 -0.01 0.00 0.00 175.52 175.02 3i04 s ILE 153 N -5.28 5.11 -0.13 0.00 1.01 -0.47 -4.54 121.20 116.90 3i04 s ILE 153 Ca -0.07 -0.89 0.22 0.00 0.00 0.00 0.00 60.65 59.91 3i04 s ILE 153 Cb 0.19 -4.20 0.22 0.00 0.01 0.00 0.00 42.46 38.69 3i04 s ILE 153 CO 0.73 -0.67 1.66 1.55 0.00 0.00 0.00 174.94 178.20 3i04 h PRO 154 N 8.85 0.00 0.00 2.79 0.13 -1.61 -3.42 132.00 138.74 3i04 h PRO 154 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3i04 h PRO 154 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3i04 h PRO 154 CO 0.92 0.23 0.00 0.41 -0.23 0.00 0.00 178.00 179.32 3i04 n GLY 155 N 0.76 -0.96 2.97 1.56 0.00 -1.26 -4.74 105.19 103.52 3i04 n GLY 155 Ca 0.02 -0.73 -0.20 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.09 0.87 -0.22 1.61 8.01 -0.31 -2.09 118.70 126.48 3i04 s GLU 156 Ca 0.00 -0.24 -0.05 0.00 0.01 0.00 0.00 54.97 54.69 3i04 s GLU 156 Cb 0.00 -0.83 -0.02 0.00 -4.31 0.00 0.00 34.13 28.97 3i04 s GLU 156 CO 0.00 0.06 -0.00 0.00 0.01 0.00 0.00 175.26 175.33 3i04 s ALA 157 N 0.35 2.97 -0.38 5.21 0.00 -0.23 -1.77 121.76 127.90 3i04 s ALA 157 Ca -0.05 -1.10 -0.11 0.00 0.00 0.00 0.00 51.96 50.70 3i04 s ALA 157 Cb -0.09 -1.82 0.03 0.00 0.00 0.00 0.00 23.12 21.24 3i04 s ALA 157 CO 0.00 -0.35 0.22 0.42 0.00 0.00 0.00 175.76 176.05 3i04 s ILE 158 N 1.36 4.59 -0.29 0.00 1.01 -0.18 -1.17 121.20 126.52 3i04 s ILE 158 Ca 0.04 -0.92 -0.09 0.00 0.00 0.00 0.00 60.65 59.68 3i04 s ILE 158 Cb -0.15 -3.60 -0.02 0.00 0.01 0.00 0.00 42.46 38.71 3i04 s ILE 158 CO 0.00 -0.28 0.14 -0.63 0.00 0.00 0.00 174.94 174.17 3i04 s ILE 159 N 1.55 4.68 -0.18 2.92 1.01 0.94 0.07 121.20 132.20 3i04 s ILE 159 Ca 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.46 3i04 s ILE 159 Cb -0.20 -3.30 0.04 0.00 0.01 0.00 0.00 42.46 39.02 3i04 s ILE 159 CO 0.06 0.18 -0.08 -0.22 0.00 0.00 0.00 174.94 174.89 3i04 s LEU 160 N 1.65 1.94 0.00 2.97 2.96 0.70 -0.67 118.68 128.23 3i04 s LEU 160 Ca 0.06 -0.77 0.00 0.00 -0.22 0.00 0.00 54.13 53.20 3i04 s LEU 160 Cb -0.16 -1.08 0.00 0.00 0.50 0.00 0.00 46.19 45.45 3i04 s LEU 160 CO 0.07 -0.16 0.00 0.61 -1.32 0.00 0.00 176.35 175.54 3i04 n GLY 161 N 4.78 0.09 2.74 7.98 0.00 -0.66 -0.55 105.19 119.57 3i04 n GLY 161 Ca -0.13 -1.61 -0.18 0.00 0.00 0.00 0.00 46.02 44.10 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 0.00 0.03 0.70 1.61 3.52 -0.38 -1.38 118.95 123.05 3i04 s ARG 162 Ca 0.00 0.24 -0.14 0.00 -0.13 0.00 0.00 55.73 55.70 3i04 s ARG 162 Cb 0.00 -0.42 0.02 0.00 -1.56 0.00 0.00 34.95 33.00 3i04 s ARG 162 CO 0.00 -0.23 1.11 0.00 -0.81 0.00 0.00 175.30 175.37 3i04 s ALA 163 N 1.52 2.35 0.47 6.12 0.00 -1.26 -2.74 121.76 128.22 3i04 s ALA 163 Ca -0.03 0.50 0.24 0.00 0.00 0.00 0.00 51.96 52.67 3i04 s ALA 163 Cb -0.13 -3.32 1.27 0.00 0.00 0.00 0.00 23.12 20.94 3i04 s ALA 163 CO -0.03 -1.51 1.86 1.57 0.00 0.00 0.00 175.76 177.65 3i04 h LYS 164 N -0.37 0.22 -2.61 0.00 2.10 -1.99 -3.43 116.57 110.50 3i04 h LYS 164 Ca -0.46 -0.01 0.08 0.00 -2.00 0.00 0.00 60.65 58.26 3i04 h LYS 164 Cb 1.25 -0.05 -0.11 0.00 -0.90 0.00 0.00 32.23 32.41 3i04 h LYS 164 CO 0.53 0.14 0.37 0.16 -2.00 0.00 0.00 179.45 178.65 3i04 s ASP 165 N -5.57 -0.38 0.18 7.07 1.47 -1.26 -5.08 116.67 113.11 3i04 s ASP 165 Ca -0.07 -0.16 -0.13 0.00 1.18 0.00 0.00 52.55 53.37 3i04 s ASP 165 Cb 0.23 0.52 0.16 0.00 -0.34 0.00 0.00 42.92 43.48 3i04 s ASP 165 CO 0.78 -0.88 1.76 0.28 0.68 0.00 0.00 175.17 177.79 3i04 h SER 166 N 2.00 0.23 0.17 2.11 0.02 -1.89 -2.93 113.55 113.27 3i04 h SER 166 Ca -0.26 0.05 -0.13 0.00 -0.84 0.00 0.00 61.79 60.61 3i04 h SER 166 Cb 1.26 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 3i04 h SER 166 CO 0.31 0.16 -0.49 0.11 -1.14 0.00 0.00 176.83 175.78 3i04 h LYS 167 N 0.39 0.37 -0.32 3.45 1.57 -1.98 -0.86 116.57 119.18 3i04 h LYS 167 Ca 0.23 -0.21 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 3i04 h LYS 167 Cb 0.21 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3i04 h LYS 167 CO -0.21 0.78 -0.26 0.00 -0.57 0.00 0.00 179.45 179.19 3i04 h ALA 168 N 1.18 0.94 -0.14 3.86 0.00 -1.95 -2.03 119.26 121.12 3i04 h ALA 168 Ca 0.01 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.43 3i04 h ALA 168 Cb 0.98 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3i04 h ALA 168 CO 0.08 0.61 -0.40 1.25 0.00 0.00 0.00 179.25 180.80 3i04 h LEU 169 N 0.57 0.60 -0.97 0.00 5.85 -1.31 -2.66 115.31 117.38 3i04 h LEU 169 Ca 0.08 -0.59 0.16 0.00 0.84 0.00 0.00 57.88 58.36 3i04 h LEU 169 Cb 0.74 -0.17 -0.10 0.00 0.37 0.00 0.00 40.66 41.50 3i04 h LEU 169 CO 0.06 1.08 0.58 0.00 -0.34 0.00 0.00 178.44 179.82 3i04 h ALA 170 N 0.53 1.53 -0.19 1.25 0.00 -1.09 0.04 119.26 121.33 3i04 h ALA 170 Ca -0.01 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3i04 h ALA 170 Cb 1.01 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 3i04 h ALA 170 CO 0.09 0.04 -0.13 -0.22 0.00 0.00 0.00 179.25 179.03 3i04 h LYS 171 N 0.82 0.42 -0.85 0.00 3.64 -1.25 0.26 116.57 119.60 3i04 h LYS 171 Ca 0.53 -0.20 0.01 0.00 -1.27 0.00 0.00 60.65 59.72 3i04 h LYS 171 Cb 0.70 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.48 3i04 h LYS 171 CO -0.34 0.74 0.56 0.82 -2.27 0.00 0.00 179.45 178.96 3i04 h ILE 172 N 0.09 1.21 -0.26 2.00 2.04 -1.27 -2.18 117.51 119.15 3i04 h ILE 172 Ca 0.04 -0.39 -0.15 0.00 1.00 0.00 0.00 64.86 65.36 3i04 h ILE 172 Cb 0.63 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 3i04 h ILE 172 CO 0.03 0.21 -0.44 0.58 0.00 0.00 0.00 178.15 178.53 3i04 h VAL 173 N 1.15 1.30 -0.52 1.67 2.07 -0.83 -0.17 116.25 120.92 3i04 h VAL 173 Ca 0.31 -1.63 -0.06 0.00 0.82 0.00 0.00 66.70 66.14 3i04 h VAL 173 Cb -0.13 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3i04 h VAL 173 CO -0.07 0.52 0.09 0.50 0.02 0.00 0.00 177.57 178.63 3i04 h LYS 174 N 0.53 0.81 -0.03 1.57 3.11 -0.87 -1.09 116.57 120.60 3i04 h LYS 174 Ca 0.04 -0.18 -0.01 0.00 -2.81 0.00 0.00 60.65 57.68 3i04 h LYS 174 Cb 0.98 -0.11 -0.00 0.00 -1.00 0.00 0.00 32.23 32.10 3i04 h LYS 174 CO 0.09 0.76 -0.03 1.49 -2.81 0.00 0.00 179.45 178.95 3i04 h GLU 175 N 0.77 0.07 -0.58 1.90 4.81 -1.05 -1.89 114.58 118.61 3i04 h GLU 175 Ca 0.17 -0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.44 3i04 h GLU 175 Cb 0.34 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.65 3i04 h GLU 175 CO 0.00 0.52 0.22 -0.07 -0.73 0.00 0.00 179.01 178.96 3i04 h LEU 176 N -0.38 0.23 -0.63 1.64 3.38 -0.88 -2.11 115.31 116.56 3i04 h LEU 176 Ca 0.01 0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 3i04 h LEU 176 Cb 0.51 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3i04 h LEU 176 CO 0.01 0.15 -0.60 0.24 0.09 0.00 0.00 178.44 178.32 3i04 h MET 177 N 0.41 0.28 0.00 1.13 2.86 -1.18 -1.56 114.93 116.87 3i04 h MET 177 Ca 0.28 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 3i04 h MET 177 Cb 0.33 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.01 3i04 h MET 177 CO -0.28 0.80 -0.08 0.78 1.06 0.00 0.00 176.91 179.19 3i04 h GLY 178 N 1.41 0.00 0.04 8.32 0.00 -1.06 -1.94 103.07 109.84 3i04 h GLY 178 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3i04 h GLY 178 CO 0.10 0.00 -0.07 1.03 0.00 0.00 0.00 176.54 177.60 3i04 n MET 179 N -3.89 1.28 -0.48 4.80 2.00 -0.65 -4.70 117.12 115.47 3i04 n MET 179 Ca -0.02 -0.65 0.00 0.00 0.00 0.00 0.00 57.70 57.03 3i04 n MET 179 Cb 0.17 -1.49 0.00 0.00 0.00 0.00 0.00 33.22 31.90 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 1.20 0.76 3.75 3.03 0.00 -0.73 -4.51 105.19 108.69 3i04 n GLY 180 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.18 3.07 -0.04 1.61 0.40 -0.84 -4.16 117.98 115.85 3i04 s PHE 181 Ca 0.00 1.24 -0.30 0.00 -0.60 0.00 0.00 56.93 57.27 3i04 s PHE 181 Cb 0.00 -3.72 -0.03 0.00 0.51 0.00 0.00 43.02 39.78 3i04 s PHE 181 CO 0.00 -2.16 1.08 1.41 0.70 0.00 0.00 175.22 176.25 3i04 s MET 182 N -0.97 4.44 0.08 0.44 -2.45 -0.89 -4.60 119.30 115.35 3i04 s MET 182 Ca 0.54 1.53 0.06 0.00 -1.25 0.00 0.00 55.69 56.57 3i04 s MET 182 Cb -0.40 -3.50 -0.04 0.00 1.25 0.00 0.00 34.83 32.14 3i04 s MET 182 CO 0.47 -0.28 -0.10 -0.51 1.05 0.00 0.00 175.02 175.64 3i04 s LEU 183 N 1.69 3.01 -0.10 4.11 1.43 -0.09 -1.07 118.68 127.67 3i04 s LEU 183 Ca 0.53 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 3i04 s LEU 183 Cb -0.22 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.23 3i04 s LEU 183 CO 0.23 0.21 -0.08 -0.36 0.23 0.00 0.00 176.35 176.58 3i04 s PHE 184 N -1.14 1.37 -0.08 0.29 0.40 -0.32 -0.39 117.98 118.12 3i04 s PHE 184 Ca 0.20 -0.63 0.04 0.00 -0.60 0.00 0.00 56.93 55.94 3i04 s PHE 184 Cb -0.11 -1.14 -0.00 0.00 0.51 0.00 0.00 43.02 42.28 3i04 s PHE 184 CO 0.11 -0.44 -0.22 0.42 0.70 0.00 0.00 175.22 175.79 3i04 s ILE 185 N 1.50 1.89 -0.01 0.64 1.09 0.07 -0.04 121.20 126.34 3i04 s ILE 185 Ca 0.01 -0.94 0.02 0.00 -1.10 0.00 0.00 60.65 58.64 3i04 s ILE 185 Cb -0.13 -1.63 -0.00 0.00 -1.06 0.00 0.00 42.46 39.64 3i04 s ILE 185 CO -0.05 0.52 -0.06 0.00 -0.10 0.00 0.00 174.94 175.25 3i04 n ASP 187 N 3.06 -0.04 0.23 0.00 8.00 0.67 -1.65 116.55 126.82 3i04 n ASP 187 Ca -0.15 0.00 0.16 0.00 0.71 0.00 0.00 54.79 55.51 3i04 n ASP 187 Cb 0.57 0.00 0.81 0.00 -0.02 0.00 0.00 41.12 42.48 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 -0.61 -1.24 3.07 -1.76 0.31 114.58 114.35 3i04 h GLU 188 Ca 0.00 0.00 0.14 0.00 -0.50 0.00 0.00 59.36 59.00 3i04 h GLU 188 Cb 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.88 3i04 h GLU 188 CO 0.00 0.00 0.42 0.00 -1.40 0.00 0.00 179.01 178.03 3i04 h ALA 189 N 2.03 2.31 0.75 3.43 0.00 -1.42 -0.31 119.26 126.06 3i04 h ALA 189 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3i04 h ALA 189 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3i04 h ALA 189 CO 0.00 -0.48 -0.40 0.28 0.00 0.00 0.00 179.25 178.65 3i04 h VAL 190 N 0.18 0.18 -0.06 0.00 2.07 -1.19 -1.39 116.25 116.06 3i04 h VAL 190 Ca 0.29 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.76 3i04 h VAL 190 Cb 0.89 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3i04 h VAL 190 CO -0.05 0.00 -0.21 -0.33 0.02 0.00 0.00 177.57 177.00 3i04 h GLU 191 N -1.06 0.09 -0.48 1.57 3.07 -1.61 -0.49 114.58 115.66 3i04 h GLU 191 Ca -0.10 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.73 3i04 h GLU 191 Cb 0.84 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.71 3i04 h GLU 191 CO 0.14 0.31 0.29 1.96 -1.40 0.00 0.00 179.01 180.30 3i04 h GLN 192 N 0.09 0.66 -0.29 2.33 4.20 -1.04 -0.53 115.11 120.53 3i04 h GLN 192 Ca 0.02 -0.06 -0.16 0.00 0.06 0.00 0.00 58.65 58.51 3i04 h GLN 192 Cb 0.42 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 3i04 h GLN 192 CO 0.03 0.48 -0.46 -0.07 -0.67 0.00 0.00 178.83 178.14 3i04 h LEU 193 N 0.65 0.82 -0.53 1.46 3.38 -0.69 -3.01 115.31 117.38 3i04 h LEU 193 Ca 0.17 -0.40 -0.08 0.00 0.09 0.00 0.00 57.88 57.66 3i04 h LEU 193 Cb -0.01 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3i04 h LEU 193 CO -0.03 1.15 0.02 -0.07 0.09 0.00 0.00 178.44 179.60 3i04 h LEU 194 N 0.60 0.90 -1.48 1.67 3.38 -1.05 -0.05 115.31 119.29 3i04 h LEU 194 Ca 0.04 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 3i04 h LEU 194 Cb 1.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 3i04 h LEU 194 CO 0.10 0.97 -0.19 1.05 0.09 0.00 0.00 178.44 180.46 3i04 h GLU 195 N 0.80 0.00 -0.30 1.13 4.11 -1.13 -1.34 114.58 117.85 3i04 h GLU 195 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.58 3i04 h GLU 195 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3i04 h GLU 195 CO 0.02 0.19 0.00 0.39 0.07 0.00 0.00 179.01 179.68 3i04 n GLU 196 N -3.51 1.60 -2.78 1.06 -0.58 -1.06 -4.90 120.64 110.47 3i04 n GLU 196 Ca -0.01 -0.84 -0.18 0.00 -0.42 0.00 0.00 57.16 55.71 3i04 n GLU 196 Cb 0.35 -1.24 0.00 0.00 -0.57 0.00 0.00 31.44 29.98 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 0.17 -4.62 -4.74 1.62 3.02 -0.51 -4.95 115.26 105.25 3i04 n ASN 197 Ca 0.08 -0.08 -0.41 0.00 -0.03 0.00 0.00 54.58 54.14 3i04 n ASN 197 Cb 0.23 -3.84 -0.03 0.00 -0.61 0.00 0.00 39.78 35.53 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 -2.87 3.50 -0.34 2.41 1.01 -0.06 -4.96 120.40 119.09 3i04 s VAL 198 Ca 0.16 1.30 -0.29 0.00 0.00 0.00 0.00 61.98 63.15 3i04 s VAL 198 Cb -0.08 -3.83 0.01 0.00 0.00 0.00 0.00 36.38 32.48 3i04 s VAL 198 CO 0.20 0.22 1.25 -0.54 0.00 0.00 0.00 175.10 176.23 3i04 s LYS 199 N -0.42 3.88 0.32 2.72 1.02 -1.26 -4.58 119.74 121.41 3i04 s LYS 199 Ca 0.52 1.09 0.07 0.00 0.02 0.00 0.00 55.97 57.67 3i04 s LYS 199 Cb -0.33 -3.87 -0.06 0.00 -0.52 0.00 0.00 37.83 33.05 3i04 s LYS 199 CO 0.38 -1.16 -0.04 -0.51 -0.92 0.00 0.00 175.35 173.10 3i04 s LEU 200 N 4.36 2.55 0.00 3.17 1.43 -1.26 -4.93 118.68 123.99 3i04 s LEU 200 Ca 0.54 -1.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.39 3i04 s LEU 200 Cb -0.14 -0.71 0.00 0.00 0.03 0.00 0.00 46.19 45.36 3i04 s LEU 200 CO 0.24 -0.37 0.00 0.61 0.23 0.00 0.00 176.35 177.06 3i04 n GLY 201 N -0.70 3.16 0.27 -3.19 0.00 0.53 -4.82 105.19 100.44 3i04 n GLY 201 Ca -0.05 -1.87 0.05 0.00 0.00 0.00 0.00 46.02 44.14 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 0.53 0.36 0.00 -0.61 2.04 -1.82 -1.01 117.51 117.01 3i04 h ILE 202 Ca 0.00 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.82 3i04 h ILE 202 Cb 0.00 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.33 3i04 h ILE 202 CO 0.00 0.02 0.00 0.44 0.00 0.00 0.00 178.15 178.61 3i04 h ASP 203 N 0.11 0.00 -0.35 1.72 3.32 -1.91 -2.33 116.42 116.97 3i04 h ASP 203 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 3i04 h ASP 203 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.25 3i04 h ASP 203 CO -0.64 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 175.66 3i04 n TYR 204 N -2.72 0.46 -2.47 4.55 4.01 -0.40 -4.48 117.16 116.10 3i04 n TYR 204 Ca -0.01 -0.27 -0.16 0.00 -0.16 0.00 0.00 57.90 57.29 3i04 n TYR 204 Cb 0.14 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.16 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 1.23 -0.81 -3.52 -0.72 5.41 -0.88 -4.48 119.36 115.59 3i04 n ILE 205 Ca 0.17 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.63 3i04 n ILE 205 Cb 0.54 -2.31 -0.14 0.00 -0.71 0.00 0.00 39.64 37.01 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 -2.82 0.68 -0.33 -1.39 0.00 -1.09 -0.92 121.76 115.89 3i04 s ALA 206 Ca 0.02 -1.27 -0.12 0.00 0.00 0.00 0.00 51.96 50.59 3i04 s ALA 206 Cb -0.01 -1.45 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 3i04 s ALA 206 CO 0.03 -1.76 0.22 0.71 0.00 0.00 0.00 175.76 174.96 3i04 s TYR 207 N 1.85 3.22 -0.37 0.00 2.02 0.48 -0.35 117.35 124.20 3i04 s TYR 207 Ca 0.11 -0.28 -0.25 0.00 -0.37 0.00 0.00 57.07 56.28 3i04 s TYR 207 Cb -0.18 -2.45 0.01 0.00 -0.40 0.00 0.00 41.96 38.94 3i04 s TYR 207 CO -0.28 -0.38 0.87 -1.25 -1.57 0.00 0.00 175.55 172.94 3i04 s PRO 208 N 1.70 3.79 -0.05 -1.71 0.05 -1.26 -0.75 135.00 136.76 3i04 s PRO 208 Ca 0.06 0.44 -0.14 0.00 0.05 0.00 0.00 61.00 61.41 3i04 s PRO 208 Cb -0.17 -3.81 -0.31 0.00 0.05 0.00 0.00 34.50 30.26 3i04 s PRO 208 CO 0.10 -0.92 0.71 -0.07 0.05 0.00 0.00 177.00 176.86 3i04 h LEU 209 N 9.96 0.58 0.00 -3.56 3.38 -0.75 0.15 115.31 125.07 3i04 h LEU 209 Ca -0.24 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 56.82 3i04 h LEU 209 Cb 1.08 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3i04 h LEU 209 CO 0.96 1.69 0.00 0.61 0.09 0.00 0.00 178.44 181.79 3i04 n GLY 210 N 1.79 0.51 3.16 0.83 0.00 -1.25 -2.30 105.19 107.93 3i04 n GLY 210 Ca -0.23 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 44.59 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 0.69 1.72 1.61 0.02 -1.26 -0.24 114.94 113.48 3i04 s ASN 211 Ca 0.00 -1.12 0.00 0.00 -1.02 0.00 0.00 52.86 50.72 3i04 s ASN 211 Cb 0.00 0.20 0.00 0.00 0.02 0.00 0.00 41.25 41.47 3i04 s ASN 211 CO 0.00 -0.62 0.00 0.33 0.02 0.00 0.00 177.10 176.83 3i04 n PHE 212 N -0.07 0.00 0.32 2.20 7.35 -1.26 -1.20 117.46 124.80 3i04 n PHE 212 Ca -0.09 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 56.66 3i04 n PHE 212 Cb 0.62 0.00 0.28 0.00 0.35 0.00 0.00 39.48 40.73 3i04 n PHE 212 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 3i04 n THR 213 N 0.00 1.25 0.28 -2.13 -2.24 -1.26 -2.67 114.28 107.50 3i04 n THR 213 Ca 0.00 0.36 0.09 0.00 -2.27 0.00 0.00 64.05 62.23 3i04 n THR 213 Cb 0.00 -1.23 0.41 0.00 -2.10 0.00 0.00 70.33 67.41 3i04 n THR 213 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i04 n GLN 214 N -1.69 0.11 -0.18 -0.78 3.00 -0.34 -2.03 117.38 115.48 3i04 n GLN 214 Ca 0.02 0.47 0.29 0.00 -0.01 0.00 0.00 57.00 57.77 3i04 n GLN 214 Cb 0.12 -1.77 0.73 0.00 0.00 0.00 0.00 30.24 29.31 3i04 n GLN 214 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.06 178.03 3i04 h ILE 215 N 0.00 0.51 0.00 5.09 6.09 -1.70 -1.97 117.51 125.53 3i04 h ILE 215 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 3i04 h ILE 215 Cb 0.17 0.53 0.00 0.00 0.47 0.00 0.00 36.82 38.00 3i04 h ILE 215 CO 0.00 0.00 0.00 0.55 -3.07 0.00 0.00 178.15 175.63 3i04 n VAL 216 N -4.20 0.96 0.75 2.19 3.14 -0.86 -1.53 118.33 118.78 3i04 n VAL 216 Ca 0.19 0.33 0.13 0.00 -2.96 0.00 0.00 64.34 62.02 3i04 n VAL 216 Cb 0.98 -1.24 0.49 0.00 -1.06 0.00 0.00 33.84 33.01 3i04 n VAL 216 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 3i04 n HIS 217 N -2.06 0.41 0.01 1.45 8.25 -0.74 -0.49 115.22 122.05 3i04 n HIS 217 Ca 0.02 0.13 -0.18 0.00 -0.26 0.00 0.00 57.72 57.42 3i04 n HIS 217 Cb 0.17 -0.71 -0.09 0.00 1.12 0.00 0.00 29.99 30.48 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 0.17 -0.21 -1.41 0.00 -1.47 -3.27 119.26 115.76 3i04 h ALA 218 Ca 0.00 -0.62 -0.12 0.00 0.00 0.00 0.00 54.91 54.17 3i04 h ALA 218 Cb 0.54 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3i04 h ALA 218 CO 0.00 0.57 -0.33 0.00 0.00 0.00 0.00 179.25 179.50 3i04 h ALA 219 N 0.43 0.33 0.00 0.00 0.00 -1.35 -0.70 119.26 117.98 3i04 h ALA 219 Ca -0.08 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3i04 h ALA 219 Cb 1.46 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3i04 h ALA 219 CO 0.16 0.37 0.00 -2.95 0.00 0.00 0.00 179.25 176.83 3i04 h ASN 220 N 0.29 0.00 0.34 0.00 7.08 -0.96 -1.42 115.58 120.90 3i04 h ASN 220 Ca 0.02 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.22 3i04 h ASN 220 Cb 0.91 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.15 3i04 h ASN 220 CO 0.08 0.00 -0.16 0.22 -2.08 0.00 0.00 177.43 175.48 3i04 h TYR 221 N 0.00 -0.42 -0.68 4.14 5.03 -1.59 -2.92 116.97 120.54 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 0.63 0.14 -0.12 0.00 1.55 0.00 0.00 36.73 38.93 3i04 h TYR 221 CO 0.00 -0.26 -0.04 0.00 -1.32 0.00 0.00 178.16 176.54 3i04 h ALA 222 N -1.27 0.63 -0.05 1.82 0.00 -1.06 -2.35 119.26 116.97 3i04 h ALA 222 Ca -0.05 0.23 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 3i04 h ALA 222 Cb 0.35 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3i04 h ALA 222 CO 0.08 -0.41 -0.29 -0.07 0.00 0.00 0.00 179.25 178.55 3i04 h LEU 223 N 0.08 0.08 -1.31 0.00 3.38 -1.36 -2.27 115.31 113.91 3i04 h LEU 223 Ca 0.35 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.23 3i04 h LEU 223 Cb 0.59 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3i04 h LEU 223 CO -0.62 0.38 -0.33 0.03 0.09 0.00 0.00 178.44 177.99 3i04 h ARG 224 N 0.08 0.00 -0.99 1.13 3.08 -1.21 -3.05 114.38 113.41 3i04 h ARG 224 Ca 0.01 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.11 3i04 h ARG 224 Cb 0.56 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.55 3i04 h ARG 224 CO 0.04 0.33 0.65 0.00 -1.07 0.00 0.00 179.97 179.92 3i04 h ALA 225 N 1.67 1.38 -0.41 0.04 0.00 -1.37 0.22 119.26 120.79 3i04 h ALA 225 Ca -0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 3i04 h ALA 225 Cb 0.64 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3i04 h ALA 225 CO 0.04 0.50 -0.16 0.78 0.00 0.00 0.00 179.25 180.42 3i04 h GLY 226 N 1.22 0.83 1.78 0.00 0.00 -1.67 -1.84 103.07 103.38 3i04 h GLY 226 Ca 0.41 -0.65 -0.17 0.00 0.00 0.00 0.00 47.33 46.91 3i04 h GLY 226 CO -0.14 0.60 -0.75 -0.33 0.00 0.00 0.00 176.54 175.92 3i04 h MET 227 N 0.68 0.21 0.00 4.80 2.07 -1.43 -1.22 114.93 120.04 3i04 h MET 227 Ca 0.11 -0.18 0.00 0.00 -2.07 0.00 0.00 59.70 57.55 3i04 h MET 227 Cb 0.64 0.04 0.00 0.00 -1.87 0.00 0.00 31.60 30.42 3i04 h MET 227 CO 0.05 0.86 0.00 -1.33 1.07 0.00 0.00 176.91 177.56 3i04 n MET 228 N -3.76 0.00 -0.19 1.72 2.81 0.73 -3.77 117.12 114.66 3i04 n MET 228 Ca -0.03 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.78 3i04 n MET 228 Cb 0.72 -0.23 0.02 0.00 -0.71 0.00 0.00 33.22 33.02 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 0.90 0.00 2.03 0.04 -1.56 -2.92 116.94 115.43 3i04 h PHE 229 Ca 0.00 -0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.67 3i04 h PHE 229 Cb 0.00 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 37.89 3i04 h PHE 229 CO 0.00 0.77 0.00 0.41 -0.60 0.00 0.00 178.31 178.89 3i04 n GLY 230 N -0.67 -1.55 2.45 -1.45 0.00 -1.04 -4.18 105.19 98.75 3i04 n GLY 230 Ca 0.02 -0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 3i04 n GLY 230 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i04 n GLY 231 N 1.17 1.44 3.72 -0.02 0.00 -0.95 -4.81 105.19 105.74 3i04 n GLY 231 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.67 3.81 0.12 1.61 1.01 -0.50 -4.93 120.40 118.85 3i04 s VAL 232 Ca 0.00 1.34 -0.31 0.00 0.00 0.00 0.00 61.98 63.01 3i04 s VAL 232 Cb 0.00 -3.86 -0.11 0.00 0.00 0.00 0.00 36.38 32.41 3i04 s VAL 232 CO 0.00 0.13 1.85 0.41 0.00 0.00 0.00 175.10 177.49 3i04 n THR 233 N 3.63 0.38 -1.67 3.92 -1.04 -1.26 -4.41 114.28 113.82 3i04 n THR 233 Ca 0.08 -0.07 -0.50 0.00 -2.04 0.00 0.00 64.05 61.53 3i04 n THR 233 Cb 0.45 -2.15 -0.05 0.00 -1.82 0.00 0.00 70.33 66.76 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 5.72 1.87 0.00 -2.82 -0.02 -1.26 -1.81 135.00 136.68 3i04 n PRO 234 Ca 0.18 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 3i04 n PRO 234 Cb 0.38 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 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 3.86 0.23 3.24 -1.23 0.00 0.15 -4.50 105.19 106.93 3i04 n GLY 235 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.73 4.42 -0.10 4.61 0.00 -0.75 -4.61 120.51 122.35 3i04 n ALA 236 Ca 0.00 -4.20 -0.06 0.00 0.00 0.00 0.00 53.44 49.18 3i04 n ALA 236 Cb 0.00 -3.12 0.02 0.00 0.00 0.00 0.00 19.45 16.35 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 6.67 0.14 -0.24 0.00 2.43 -1.83 -1.52 114.38 120.03 3i04 h ARG 237 Ca 0.37 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.59 3i04 h ARG 237 Cb 0.78 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.25 3i04 h ARG 237 CO 1.43 0.09 -0.10 0.93 -1.51 0.00 0.00 179.97 180.82 3i04 h GLU 238 N 0.15 -0.06 -0.17 0.20 4.39 -1.93 -1.98 114.58 115.19 3i04 h GLU 238 Ca 0.17 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.78 3i04 h GLU 238 Cb 0.21 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 3i04 h GLU 238 CO -0.25 -0.04 -0.32 1.49 -1.16 0.00 0.00 179.01 178.74 3i04 h GLU 239 N -0.06 0.33 -0.25 2.33 4.81 -1.85 -1.57 114.58 118.32 3i04 h GLU 239 Ca 0.12 -0.13 -0.11 0.00 -0.13 0.00 0.00 59.36 59.11 3i04 h GLU 239 Cb 0.24 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 3i04 h GLU 239 CO -0.28 0.61 -0.28 1.96 -0.73 0.00 0.00 179.01 180.29 3i04 h GLN 240 N 0.29 0.64 -0.14 1.92 1.08 -1.01 -1.53 115.11 116.36 3i04 h GLN 240 Ca 0.04 -0.35 -0.03 0.00 -1.45 0.00 0.00 58.65 56.86 3i04 h GLN 240 Cb 0.70 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.15 3i04 h GLN 240 CO 0.05 0.96 -0.01 0.00 -0.95 0.00 0.00 178.83 178.88 3i04 h ARG 241 N 0.35 0.25 -0.71 1.46 3.08 -1.21 -2.05 114.38 115.56 3i04 h ARG 241 Ca 0.04 -0.09 0.15 0.00 0.07 0.00 0.00 59.98 60.15 3i04 h ARG 241 Cb 0.85 -0.02 -0.11 0.00 0.08 0.00 0.00 29.97 30.78 3i04 h ARG 241 CO 0.07 0.51 0.16 0.22 -1.07 0.00 0.00 179.97 179.86 3i04 h ASP 242 N -0.03 -0.00 -0.43 7.04 3.58 -1.34 -0.56 116.42 124.66 3i04 h ASP 242 Ca 0.04 0.14 -0.02 0.00 0.42 0.00 0.00 57.03 57.61 3i04 h ASP 242 Cb 0.40 0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.63 3i04 h ASP 242 CO 0.01 -0.03 0.19 0.22 -2.88 0.00 0.00 179.24 176.75 3i04 h TYR 243 N 0.26 0.64 0.51 0.28 5.03 -1.07 -1.52 116.97 121.10 3i04 h TYR 243 Ca 0.40 -0.04 -0.02 0.00 2.58 0.00 0.00 58.73 61.65 3i04 h TYR 243 Cb 0.66 -0.20 -0.02 0.00 1.55 0.00 0.00 36.73 38.72 3i04 h TYR 243 CO -0.27 0.54 -0.49 1.96 -1.32 0.00 0.00 178.16 178.58 3i04 h GLN 244 N 0.56 -0.96 -0.65 1.82 1.08 -0.79 0.95 115.11 117.12 3i04 h GLN 244 Ca 0.15 0.07 0.13 0.00 -1.45 0.00 0.00 58.65 57.54 3i04 h GLN 244 Cb 0.15 0.22 -0.12 0.00 -0.05 0.00 0.00 27.48 27.68 3i04 h GLN 244 CO -0.02 -0.64 -0.23 -0.09 -0.95 0.00 0.00 178.83 176.91 3i04 h ARG 245 N -0.99 -0.06 -0.25 1.46 1.12 -1.12 0.42 114.38 114.95 3i04 h ARG 245 Ca -0.06 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.78 3i04 h ARG 245 Cb 0.86 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.82 3i04 h ARG 245 CO -0.05 -0.04 0.05 0.00 -3.11 0.00 0.00 179.97 176.82 3i04 h ARG 246 N -0.06 0.41 0.00 0.20 3.08 -1.20 -3.41 114.38 113.40 3i04 h ARG 246 Ca 0.30 -0.10 -0.21 0.00 0.07 0.00 0.00 59.98 60.04 3i04 h ARG 246 Cb 0.52 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.48 3i04 h ARG 246 CO -0.70 0.52 -1.77 0.54 -1.07 0.00 0.00 179.97 177.49 3i04 n ARG 247 N -4.70 1.92 -3.16 0.04 1.74 0.32 -4.82 116.66 108.01 3i04 n ARG 247 Ca -0.03 0.01 -0.46 0.00 -0.77 0.00 0.00 57.85 56.60 3i04 n ARG 247 Cb 0.19 -1.29 -0.03 0.00 -1.02 0.00 0.00 32.46 30.32 3i04 n ARG 247 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3i04 s ILE 248 N -2.27 5.20 -1.48 0.55 -1.09 0.12 -4.94 121.20 117.28 3i04 s ILE 248 Ca -0.07 -1.97 -0.13 0.00 -2.23 0.00 0.00 60.65 56.24 3i04 s ILE 248 Cb 0.04 -4.58 0.02 0.00 -1.58 0.00 0.00 42.46 36.35 3i04 s ILE 248 CO 0.44 -1.21 2.34 0.54 -1.23 0.00 0.00 174.94 175.81 3i04 n ARG 249 N 5.20 3.02 -4.24 2.79 1.74 -1.26 -4.63 116.66 119.27 3i04 n ARG 249 Ca 0.15 -2.57 -0.34 0.00 -0.77 0.00 0.00 57.85 54.32 3i04 n ARG 249 Cb 0.47 -3.20 -0.08 0.00 -1.02 0.00 0.00 32.46 28.63 3i04 n ARG 249 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i04 s ALA 250 N 2.92 3.40 0.14 7.54 0.00 -1.26 -1.17 121.76 133.34 3i04 s ALA 250 Ca 0.50 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.61 3i04 s ALA 250 Cb 0.15 -1.49 -0.04 0.00 0.00 0.00 0.00 23.12 21.74 3i04 s ALA 250 CO -0.08 0.64 -0.00 -0.59 0.00 0.00 0.00 175.76 175.73 3i04 s PHE 251 N -1.05 1.02 -0.17 0.00 -0.12 -0.73 -4.20 117.98 112.73 3i04 s PHE 251 Ca 0.18 -1.05 -0.05 0.00 -0.05 0.00 0.00 56.93 55.97 3i04 s PHE 251 Cb -0.12 -0.59 -0.03 0.00 -0.63 0.00 0.00 43.02 41.65 3i04 s PHE 251 CO 0.09 -0.28 0.00 0.08 -0.05 0.00 0.00 175.22 175.06 3i04 s VAL 252 N -3.75 4.22 -0.45 -2.49 1.01 -0.36 -1.01 120.40 117.57 3i04 s VAL 252 Ca 0.20 -0.24 -0.16 0.00 0.00 0.00 0.00 61.98 61.79 3i04 s VAL 252 Cb 0.06 -2.88 0.05 0.00 0.00 0.00 0.00 36.38 33.62 3i04 s VAL 252 CO 0.01 0.47 0.38 -0.76 0.00 0.00 0.00 175.10 175.20 3i04 s LEU 253 N 0.44 5.36 -0.47 3.92 1.43 0.11 -0.61 118.68 128.86 3i04 s LEU 253 Ca -0.01 -1.11 -0.11 0.00 -1.03 0.00 0.00 54.13 51.87 3i04 s LEU 253 Cb -0.14 -2.20 0.10 0.00 0.03 0.00 0.00 46.19 43.98 3i04 s LEU 253 CO 0.02 -0.58 0.35 -0.47 0.23 0.00 0.00 176.35 175.90 3i04 s TYR 254 N 1.74 3.34 -0.08 0.29 5.04 -0.14 -0.21 117.35 127.34 3i04 s TYR 254 Ca 0.05 -1.53 0.02 0.00 -2.44 0.00 0.00 57.07 53.18 3i04 s TYR 254 Cb -0.22 -3.33 -0.02 0.00 0.35 0.00 0.00 41.96 38.74 3i04 s TYR 254 CO 0.09 -0.92 -0.12 -0.51 -1.34 0.00 0.00 175.55 172.74 3i04 s LEU 255 N 1.46 2.83 0.00 6.97 1.43 0.29 -2.70 118.68 128.97 3i04 s LEU 255 Ca 0.04 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 3i04 s LEU 255 Cb -0.26 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.36 3i04 s LEU 255 CO 0.02 0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.51 3i04 n GLY 256 N 2.61 -2.60 3.65 -3.19 0.00 -1.11 -1.25 105.19 103.31 3i04 n GLY 256 Ca -0.18 -1.78 -0.46 0.00 0.00 0.00 0.00 46.02 43.61 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 -0.25 1.89 -2.90 1.61 2.13 -1.26 -4.80 120.64 117.06 3i04 n GLU 257 Ca 0.00 0.67 -0.33 0.00 0.66 0.00 0.00 57.16 58.16 3i04 n GLU 257 Cb 0.00 -2.32 -0.07 0.00 0.27 0.00 0.00 31.44 29.32 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 0.07 3.36 0.09 4.31 3.76 -1.26 -4.98 115.29 120.64 3i04 s HIS 258 Ca 0.71 1.53 0.02 0.00 -0.15 0.00 0.00 55.06 57.16 3i04 s HIS 258 Cb -0.69 -2.78 -0.04 0.00 1.11 0.00 0.00 32.58 30.18 3i04 s HIS 258 CO 0.48 -0.03 -0.07 0.16 -0.85 0.00 0.00 174.74 174.43 3i04 s ASP 259 N -2.15 1.07 0.44 1.40 -4.77 -1.26 -5.06 116.67 106.35 3i04 s ASP 259 Ca 0.59 -0.91 0.11 0.00 -3.30 0.00 0.00 52.55 49.03 3i04 s ASP 259 Cb -0.10 0.08 0.98 0.00 -1.09 0.00 0.00 42.92 42.80 3i04 s ASP 259 CO 0.15 -0.41 2.06 0.00 0.70 0.00 0.00 175.17 177.67 3i04 h MET 260 N 3.29 0.30 -0.06 2.11 -0.00 -1.98 -0.79 114.93 117.81 3i04 h MET 260 Ca -0.35 -0.03 -0.12 0.00 -0.00 0.00 0.00 59.70 59.20 3i04 h MET 260 Cb 1.17 -0.06 0.01 0.00 -0.00 0.00 0.00 31.60 32.72 3i04 h MET 260 CO 0.60 0.24 -0.44 0.28 -0.00 0.00 0.00 176.91 177.59 3i04 h VAL 261 N 0.30 1.42 -0.87 -0.10 2.07 -1.87 0.06 116.25 117.26 3i04 h VAL 261 Ca 0.08 -1.86 0.07 0.00 0.82 0.00 0.00 66.70 65.81 3i04 h VAL 261 Cb 0.04 2.39 -0.06 0.00 -1.52 0.00 0.00 31.29 32.14 3i04 h VAL 261 CO -0.01 0.54 0.54 0.11 0.02 0.00 0.00 177.57 178.77 3i04 h LYS 262 N -0.09 0.94 -0.50 1.57 1.57 -1.83 -0.92 116.57 117.30 3i04 h LYS 262 Ca -0.04 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 3i04 h LYS 262 Cb 1.11 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 33.19 3i04 h LYS 262 CO 0.09 0.62 0.07 1.15 -0.57 0.00 0.00 179.45 180.81 3i04 h THR 263 N 0.97 1.25 -0.70 -0.16 2.02 -1.07 -0.62 112.91 114.60 3i04 h THR 263 Ca 0.39 -0.95 -0.04 0.00 0.77 0.00 0.00 66.41 66.57 3i04 h THR 263 Cb 0.21 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 3i04 h THR 263 CO -0.19 0.34 0.26 0.00 0.37 0.00 0.00 175.52 176.31 3i04 h ALA 264 N 0.97 1.15 -0.57 6.16 0.00 -0.73 -2.17 119.26 124.06 3i04 h ALA 264 Ca 0.15 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 3i04 h ALA 264 Cb 0.41 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3i04 h ALA 264 CO 0.01 0.61 -0.04 0.00 0.00 0.00 0.00 179.25 179.83 3i04 h ALA 265 N 1.27 0.85 -0.23 0.00 0.00 -0.99 -2.51 119.26 117.65 3i04 h ALA 265 Ca 0.23 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3i04 h ALA 265 Cb 0.22 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3i04 h ALA 265 CO -0.02 0.66 0.09 0.00 0.00 0.00 0.00 179.25 179.98 3i04 h ALA 266 N 1.02 1.74 0.00 0.00 0.00 -0.89 -2.01 119.26 119.13 3i04 h ALA 266 Ca 0.16 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3i04 h ALA 266 Cb 0.59 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3i04 h ALA 266 CO 0.04 0.21 -0.10 0.74 0.00 0.00 0.00 179.25 180.14 3i04 h PHE 267 N 0.31 0.00 -0.22 0.00 0.04 -0.95 -1.49 116.94 114.62 3i04 h PHE 267 Ca 0.08 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.75 3i04 h PHE 267 Cb 0.06 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 3i04 h PHE 267 CO 0.00 0.10 -0.31 0.78 -0.60 0.00 0.00 178.31 178.28 3i04 h GLY 268 N 1.65 0.49 0.74 -1.45 0.00 -1.16 0.13 103.07 103.47 3i04 h GLY 268 Ca -0.00 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 3i04 h GLY 268 CO 0.01 0.39 0.00 0.00 0.00 0.00 0.00 176.54 176.95 3i04 h ALA 269 N 1.28 0.02 -0.63 3.60 0.00 -1.22 -2.82 119.26 119.49 3i04 h ALA 269 Ca 0.05 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.92 3i04 h ALA 269 Cb 0.74 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.45 3i04 h ALA 269 CO 0.06 -0.34 0.24 0.82 0.00 0.00 0.00 179.25 180.02 3i04 h ILE 270 N -0.24 0.76 -0.94 0.00 2.04 -1.14 -0.85 117.51 117.14 3i04 h ILE 270 Ca 0.00 -0.14 0.23 0.00 1.00 0.00 0.00 64.86 65.95 3i04 h ILE 270 Cb 0.27 0.31 -0.07 0.00 -0.74 0.00 0.00 36.82 36.60 3i04 h ILE 270 CO 0.00 0.08 0.63 0.15 0.00 0.00 0.00 178.15 179.01 3i04 h PHE 271 N 0.41 0.44 -0.02 1.37 3.57 -0.68 -1.49 116.94 120.54 3i04 h PHE 271 Ca 0.32 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.83 3i04 h PHE 271 Cb 0.40 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.01 3i04 h PHE 271 CO -0.17 0.10 -0.15 2.41 -2.23 0.00 0.00 178.31 178.27 3i04 n THR 272 N -4.48 0.00 0.00 4.41 -1.04 -0.42 -4.94 114.28 107.81 3i04 n THR 272 Ca 0.21 -0.33 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 3i04 n THR 272 Cb 0.80 1.06 0.00 0.00 -1.82 0.00 0.00 70.33 70.37 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 1.32 1.35 3.68 3.41 0.00 -0.56 -3.55 105.19 110.84 3i04 n GLY 273 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 3.31 0.51 1.61 0.08 -0.63 -4.78 117.98 116.07 3i04 s PHE 274 Ca 0.00 0.17 -0.18 0.00 0.12 0.00 0.00 56.93 57.04 3i04 s PHE 274 Cb 0.00 -2.06 -0.08 0.00 -0.57 0.00 0.00 43.02 40.31 3i04 s PHE 274 CO 0.00 0.25 0.99 -1.25 -0.10 0.00 0.00 175.22 175.12 3i04 s PRO 275 N 0.16 3.91 -0.19 0.24 0.04 -1.26 -2.80 135.00 135.09 3i04 s PRO 275 Ca 0.06 1.05 -0.01 0.00 0.04 0.00 0.00 61.00 62.14 3i04 s PRO 275 Cb -0.12 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.29 3i04 s PRO 275 CO 0.00 -0.30 -0.12 0.08 0.04 0.00 0.00 177.00 176.69 3i04 s VAL 276 N -2.46 2.77 -0.21 -0.36 1.01 0.08 -1.22 120.40 120.01 3i04 s VAL 276 Ca 0.61 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 3i04 s VAL 276 Cb -0.11 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.06 3i04 s VAL 276 CO 0.27 0.49 -0.09 -0.63 0.00 0.00 0.00 175.10 175.14 3i04 s ILE 277 N 1.24 2.92 0.07 2.22 1.09 0.22 -2.01 121.20 126.94 3i04 s ILE 277 Ca 0.03 -0.69 0.03 0.00 -1.10 0.00 0.00 60.65 58.91 3i04 s ILE 277 Cb -0.14 -2.32 -0.04 0.00 -1.06 0.00 0.00 42.46 38.90 3i04 s ILE 277 CO -0.06 0.43 0.06 0.28 -0.10 0.00 0.00 174.94 175.55 3i04 s THR 278 N 1.40 4.45 -2.19 2.92 -1.32 -0.33 -0.96 115.64 119.61 3i04 s THR 278 Ca 0.05 -0.75 0.28 0.00 -1.21 0.00 0.00 61.69 60.05 3i04 s THR 278 Cb -0.14 -3.12 0.70 0.00 -1.51 0.00 0.00 72.50 68.42 3i04 s THR 278 CO -0.06 0.16 1.94 -0.90 -2.21 0.00 0.00 174.62 173.55 3i04 n ASP 279 N 0.60 0.66 -4.83 8.08 5.75 -1.10 0.31 116.55 126.02 3i04 n ASP 279 Ca -0.10 -1.29 -0.35 0.00 -0.01 0.00 0.00 54.79 53.04 3i04 n ASP 279 Cb 0.52 -0.01 -0.06 0.00 -1.03 0.00 0.00 41.12 40.54 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 -1.98 4.16 0.06 0.11 -1.52 -1.26 -4.30 119.66 114.94 3i04 s GLN 280 Ca 0.41 0.76 -0.31 0.00 -1.95 0.00 0.00 55.36 54.27 3i04 s GLN 280 Cb 0.20 -2.82 -0.06 0.00 -0.22 0.00 0.00 33.01 30.11 3i04 s GLN 280 CO 0.33 0.37 1.23 -1.25 -0.25 0.00 0.00 175.29 175.72 3i04 s PRO 281 N -2.13 4.41 -0.11 2.91 0.04 -1.26 -4.60 135.00 134.26 3i04 s PRO 281 Ca 0.44 1.82 0.01 0.00 0.04 0.00 0.00 61.00 63.30 3i04 s PRO 281 Cb -0.15 -3.34 -0.01 0.00 0.04 0.00 0.00 34.50 31.03 3i04 s PRO 281 CO 0.20 -0.29 -0.15 -0.51 0.04 0.00 0.00 177.00 176.28 3i04 s LEU 282 N 1.13 2.60 0.99 -3.56 1.43 -1.26 -5.11 118.68 114.90 3i04 s LEU 282 Ca 0.60 -0.35 -0.11 0.00 -1.03 0.00 0.00 54.13 53.23 3i04 s LEU 282 Cb -0.30 -1.56 0.16 0.00 0.03 0.00 0.00 46.19 44.52 3i04 s LEU 282 CO 0.29 0.19 0.96 -2.65 0.23 0.00 0.00 176.35 175.37 3i04 n PRO 283 N 3.35 -0.95 -0.25 1.29 -0.02 -1.26 -4.90 135.00 132.27 3i04 n PRO 283 Ca -0.18 -0.23 0.13 0.00 -2.02 0.00 0.00 63.50 61.20 3i04 n PRO 283 Cb 0.53 -2.23 0.41 0.00 -0.02 0.00 0.00 33.50 32.19 3i04 n PRO 283 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3i04 h GLU 284 N -2.05 0.60 -0.44 -0.52 4.11 -1.99 -1.83 114.58 112.47 3i04 h GLU 284 Ca -0.48 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 58.92 3i04 h GLU 284 Cb 1.29 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3i04 h GLU 284 CO 0.42 0.40 0.00 -0.40 0.07 0.00 0.00 179.01 179.50 3i04 n ASP 285 N -4.54 2.04 -0.13 3.06 3.85 -1.26 -3.76 116.55 115.80 3i04 n ASP 285 Ca 0.17 -2.10 0.04 0.00 -0.71 0.00 0.00 54.79 52.19 3i04 n ASP 285 Cb 0.50 -0.30 0.06 0.00 -1.35 0.00 0.00 41.12 40.02 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 0.40 1.28 -4.09 0.11 4.76 -0.69 -3.37 118.16 116.56 3i04 n LYS 286 Ca 0.11 -1.71 -0.10 0.00 -2.87 0.00 0.00 58.31 53.74 3i04 n LYS 286 Cb 0.37 -1.04 -0.10 0.00 -1.84 0.00 0.00 35.03 32.41 3i04 n LYS 286 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 3i04 s GLN 287 N -1.44 0.62 -0.20 1.97 1.03 -1.23 -4.84 119.66 115.58 3i04 s GLN 287 Ca 0.13 -1.06 0.01 0.00 0.04 0.00 0.00 55.36 54.48 3i04 s GLN 287 Cb 0.12 -0.06 0.05 0.00 0.03 0.00 0.00 33.01 33.14 3i04 s GLN 287 CO 0.01 -0.03 -0.08 0.42 -2.54 0.00 0.00 175.29 173.07 3i04 s ILE 288 N -2.86 1.51 0.20 3.63 1.01 -0.50 -4.61 121.20 119.57 3i04 s ILE 288 Ca 0.01 -0.99 -0.32 0.00 0.00 0.00 0.00 60.65 59.36 3i04 s ILE 288 Cb 0.00 -1.65 -0.15 0.00 0.01 0.00 0.00 42.46 40.67 3i04 s ILE 288 CO -0.04 0.10 1.10 -2.65 0.00 0.00 0.00 174.94 173.44 3i04 n PRO 289 N 4.72 1.14 0.00 2.79 -0.02 -1.26 -1.51 135.00 140.85 3i04 n PRO 289 Ca -0.13 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3i04 n PRO 289 Cb 0.46 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 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 1.84 0.00 0.00 2.55 8.00 -1.26 -4.71 116.55 122.98 3i04 n ASP 290 Ca 0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.64 3i04 n ASP 290 Cb 0.26 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 40.68 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 -1.93 0.00 -3.31 1.24 7.02 -0.74 -4.73 117.44 114.99 3i04 n TRP 291 Ca 0.00 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.36 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 -1.95 -0.64 0.19 -5.99 2.19 -0.57 -0.74 117.98 110.47 3i04 s PHE 292 Ca 0.00 -0.61 -0.03 0.00 0.33 0.00 0.00 56.93 56.62 3i04 s PHE 292 Cb 0.00 -0.22 -0.03 0.00 -1.31 0.00 0.00 43.02 41.45 3i04 s PHE 292 CO 0.00 -1.03 0.18 -0.59 1.83 0.00 0.00 175.22 175.61 3i04 s PHE 293 N 1.46 0.91 -0.16 10.12 -0.12 -0.85 -1.41 117.98 127.93 3i04 s PHE 293 Ca 0.18 -1.20 -0.13 0.00 -0.05 0.00 0.00 56.93 55.73 3i04 s PHE 293 Cb -0.12 -0.39 -0.05 0.00 -0.63 0.00 0.00 43.02 41.84 3i04 s PHE 293 CO -0.04 -0.67 0.27 0.45 -0.05 0.00 0.00 175.22 175.18 3i04 s SER 294 N -3.10 6.42 -0.28 1.98 0.15 -1.26 -1.19 113.70 116.42 3i04 s SER 294 Ca 0.31 0.49 -0.01 0.00 0.70 0.00 0.00 55.95 57.44 3i04 s SER 294 Cb 0.06 -2.17 0.09 0.00 -1.71 0.00 0.00 66.02 62.28 3i04 s SER 294 CO 0.08 0.12 0.07 -0.69 1.20 0.00 0.00 173.24 174.02 3i04 s VAL 295 N 0.37 0.88 -0.45 4.45 1.01 0.15 -4.92 120.40 121.89 3i04 s VAL 295 Ca 0.16 -1.20 0.23 0.00 0.00 0.00 0.00 61.98 61.17 3i04 s VAL 295 Cb -0.13 -1.55 0.26 0.00 0.00 0.00 0.00 36.38 34.97 3i04 s VAL 295 CO 0.03 -0.51 1.52 -0.33 0.00 0.00 0.00 175.10 175.82 3i04 h GLU 296 N 8.10 0.00 -5.56 2.72 5.08 -1.76 -3.33 114.58 119.84 3i04 h GLU 296 Ca -0.14 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.57 3i04 h GLU 296 Cb 1.04 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.15 3i04 h GLU 296 CO 0.44 0.00 0.28 0.34 -1.00 0.00 0.00 179.01 179.07 3i04 s ASP 297 N -5.80 6.34 0.56 1.42 -1.08 -1.26 -4.92 116.67 111.93 3i04 s ASP 297 Ca 0.06 -0.35 0.31 0.00 -0.52 0.00 0.00 52.55 52.05 3i04 s ASP 297 Cb 0.07 -2.36 1.64 0.00 -1.46 0.00 0.00 42.92 40.81 3i04 s ASP 297 CO 0.68 -0.93 2.14 1.88 0.52 0.00 0.00 175.17 179.46 3i04 h TYR 298 N 9.02 0.00 0.00 -5.34 -1.99 -1.99 -0.30 116.97 116.36 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 0.79 0.07 0.00 -0.25 -0.00 0.00 0.00 178.16 178.77 3i04 n ASP 299 N -3.55 0.16 -0.00 3.88 10.43 -1.26 -3.40 116.55 122.80 3i04 n ASP 299 Ca -0.02 0.52 0.04 0.00 2.57 0.00 0.00 54.79 57.91 3i04 n ASP 299 Cb 0.19 -0.56 -0.06 0.00 1.84 0.00 0.00 41.12 42.54 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 -1.66 3.45 -0.04 -1.24 5.02 -0.15 -4.78 118.16 118.76 3i04 n LYS 300 Ca 0.05 -0.01 -0.08 0.00 -2.02 0.00 0.00 58.31 56.25 3i04 n LYS 300 Cb 0.29 -0.97 -0.02 0.00 -0.02 0.00 0.00 35.03 34.30 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 0.00 0.73 0.59 -0.18 2.04 -1.50 -0.40 117.51 118.79 3i04 h ILE 301 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 3i04 h ILE 301 Cb 0.25 0.73 0.01 0.00 -0.74 0.00 0.00 36.82 37.06 3i04 h ILE 301 CO 0.00 0.00 -0.29 0.58 0.00 0.00 0.00 178.15 178.44 3i04 h VAL 302 N -0.04 0.35 -0.13 1.67 2.07 -1.86 -1.40 116.25 116.90 3i04 h VAL 302 Ca 0.11 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.45 3i04 h VAL 302 Cb 0.20 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 30.34 3i04 h VAL 302 CO -0.24 0.03 -0.25 -0.61 0.02 0.00 0.00 177.57 176.52 3i04 h GLN 303 N -0.96 -0.31 -0.90 1.57 4.15 -1.87 0.13 115.11 116.93 3i04 h GLN 303 Ca -0.08 0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.46 3i04 h GLN 303 Cb 0.66 0.07 -0.07 0.00 0.21 0.00 0.00 27.48 28.35 3i04 h GLN 303 CO 0.13 -0.20 0.58 0.82 -1.93 0.00 0.00 178.83 178.23 3i04 h ILE 304 N -0.32 0.97 -0.30 2.39 2.04 -1.04 0.93 117.51 122.18 3i04 h ILE 304 Ca 0.10 -0.31 -0.10 0.00 1.00 0.00 0.00 64.86 65.55 3i04 h ILE 304 Cb 0.47 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 3i04 h ILE 304 CO -0.31 0.16 -0.22 0.00 0.00 0.00 0.00 178.15 177.78 3i04 h ALA 305 N 1.55 0.43 -0.30 1.87 0.00 -0.56 0.14 119.26 122.40 3i04 h ALA 305 Ca 0.42 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3i04 h ALA 305 Cb 0.40 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3i04 h ALA 305 CO -0.18 0.39 0.07 0.52 0.00 0.00 0.00 179.25 180.04 3i04 h MET 306 N 0.43 0.48 0.07 0.00 2.86 -0.31 0.23 114.93 118.67 3i04 h MET 306 Ca 0.06 -0.12 0.02 0.00 -2.06 0.00 0.00 59.70 57.60 3i04 h MET 306 Cb 0.77 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.34 3i04 h MET 306 CO 0.06 0.56 -0.19 0.93 1.06 0.00 0.00 176.91 179.33 3i04 h GLU 307 N 0.31 -0.34 -0.67 1.72 5.08 -0.81 0.15 114.58 120.03 3i04 h GLU 307 Ca 0.09 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.52 3i04 h GLU 307 Cb 0.30 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 3i04 h GLU 307 CO 0.00 -0.22 0.40 1.15 -1.00 0.00 0.00 179.01 179.34 3i04 h THR 308 N -0.35 1.03 0.00 1.13 2.02 -0.63 -2.14 112.91 113.98 3i04 h THR 308 Ca 0.04 -0.26 -0.06 0.00 0.77 0.00 0.00 66.41 66.90 3i04 h THR 308 Cb 0.39 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 3i04 h THR 308 CO -0.13 0.14 -0.27 -0.09 0.37 0.00 0.00 175.52 175.54 3i04 h ARG 309 N 0.76 0.00 0.00 6.66 9.65 -0.64 -3.47 114.38 127.34 3i04 h ARG 309 Ca 0.28 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.16 3i04 h ARG 309 Cb 0.10 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.68 3i04 h ARG 309 CO -0.14 0.27 0.00 0.41 2.80 0.00 0.00 179.97 183.31 3i04 n GLY 310 N -0.33 1.12 3.66 2.80 0.00 0.31 -5.02 105.19 107.73 3i04 n GLY 310 Ca -0.01 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 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 5.04 -0.10 -0.61 1.01 0.02 -5.02 121.20 119.53 3i04 s ILE 311 Ca 0.00 1.14 0.03 0.00 0.00 0.00 0.00 60.65 61.82 3i04 s ILE 311 Cb 0.00 -3.92 0.01 0.00 0.01 0.00 0.00 42.46 38.55 3i04 s ILE 311 CO 0.00 0.12 -0.20 -1.59 0.00 0.00 0.00 174.94 173.27 3i04 s LYS 312 N 1.88 2.64 -0.11 2.79 -2.85 -1.26 -4.45 119.74 118.37 3i04 s LYS 312 Ca 0.28 -0.73 -0.12 0.00 -1.00 0.00 0.00 55.97 54.39 3i04 s LYS 312 Cb -0.16 -2.07 0.03 0.00 -2.06 0.00 0.00 37.83 33.57 3i04 s LYS 312 CO 0.10 0.08 0.34 -0.48 0.10 0.00 0.00 175.35 175.49 3i04 s LEU 313 N 0.57 0.71 -0.37 2.77 0.05 -1.26 -5.10 118.68 116.05 3i04 s LEU 313 Ca -0.14 0.60 0.00 0.00 0.05 0.00 0.00 54.13 54.64 3i04 s LEU 313 Cb -0.17 1.19 0.12 0.00 -2.05 0.00 0.00 46.19 45.29 3i04 s LEU 313 CO 0.05 -0.17 0.18 0.42 -0.55 0.00 0.00 176.35 176.27 3i04 s THR 314 N -0.04 0.86 0.00 5.48 -4.23 -1.26 -5.10 115.64 111.35 3i04 s THR 314 Ca -0.02 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 3i04 s THR 314 Cb -0.03 -1.63 0.00 0.00 1.34 0.00 0.00 72.50 72.18 3i04 s THR 314 CO 0.01 -0.83 0.00 1.17 -0.54 0.00 0.00 174.62 174.43 3i04 n LYS 315 N 4.22 2.81 -1.77 3.99 4.81 -1.26 -5.03 118.16 125.93 3i04 n LYS 315 Ca 0.05 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.08 3i04 n LYS 315 Cb 0.38 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.40 3i04 n LYS 315 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 3i04 s ILE 316 N 4.02 3.18 -1.12 3.15 1.10 -1.26 -4.90 121.20 125.37 3i04 s ILE 316 Ca 0.00 0.16 -0.19 0.00 -0.51 0.00 0.00 60.65 60.11 3i04 s ILE 316 Cb 0.00 -3.33 0.09 0.00 0.15 0.00 0.00 42.46 39.37 3i04 s ILE 316 CO 0.00 -0.27 1.48 -1.59 -2.11 0.00 0.00 174.94 172.45 3i04 s LYS 317 N 6.87 3.79 -0.06 3.50 -2.85 -1.26 -4.92 119.74 124.82 3i04 s LYS 317 Ca 0.89 -1.73 0.03 0.00 -1.00 0.00 0.00 55.97 54.15 3i04 s LYS 317 Cb -0.22 -5.29 0.01 0.00 -2.06 0.00 0.00 37.83 30.27 3i04 s LYS 317 CO 0.29 -2.08 -0.14 -0.51 0.10 0.00 0.00 175.35 173.02 3i04 s LEU 318 N 3.80 1.77 -0.90 2.77 1.43 -1.26 -4.89 118.68 121.40 3i04 s LEU 318 Ca 0.45 -0.32 -0.04 0.00 -1.03 0.00 0.00 54.13 53.20 3i04 s LEU 318 Cb -0.00 -0.88 0.22 0.00 0.03 0.00 0.00 46.19 45.56 3i04 s LEU 318 CO -0.03 0.08 0.80 -0.62 0.23 0.00 0.00 176.35 176.81 3i04 s ASP 319 N 0.40 6.19 0.06 2.29 2.15 -1.26 -5.07 116.67 121.43 3i04 s ASP 319 Ca -0.10 -3.55 -0.13 0.00 0.43 0.00 0.00 52.55 49.19 3i04 s ASP 319 Cb -0.14 -1.97 -0.06 0.00 -0.30 0.00 0.00 42.92 40.45 3i04 s ASP 319 CO 0.03 -0.24 0.45 -0.76 -0.17 0.00 0.00 175.17 174.48 3i04 s LEU 320 N -1.12 4.41 0.44 -1.34 1.43 -1.26 -4.98 118.68 116.25 3i04 s LEU 320 Ca 0.26 0.95 0.30 0.00 -1.03 0.00 0.00 54.13 54.62 3i04 s LEU 320 Cb -0.09 -2.89 1.44 0.00 0.03 0.00 0.00 46.19 44.68 3i04 s LEU 320 CO -0.10 0.22 1.91 1.55 0.23 0.00 0.00 176.35 180.16 3i04 h PRO 321 N 4.11 0.00 -6.53 1.29 0.13 -1.90 -3.44 132.00 125.66 3i04 h PRO 321 Ca -0.50 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 63.97 3i04 h PRO 321 Cb 1.20 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.18 3i04 h PRO 321 CO 0.64 0.00 -0.73 0.96 -0.23 0.00 0.00 178.00 178.64 3i04 s ILE 322 N -3.64 3.40 0.76 -3.56 -4.36 -1.26 -4.79 121.20 107.74 3i04 s ILE 322 Ca -0.00 -1.29 -0.15 0.00 -0.26 0.00 0.00 60.65 58.95 3i04 s ILE 322 Cb 0.09 -2.60 0.04 0.00 1.25 0.00 0.00 42.46 41.24 3i04 s ILE 322 CO 0.38 0.09 1.11 0.59 0.24 0.00 0.00 174.94 177.35 3i04 n ASN 323 N 0.62 0.92 -3.66 4.36 3.02 -1.26 -4.85 115.26 114.40 3i04 n ASN 323 Ca -0.13 0.65 -0.08 0.00 -0.03 0.00 0.00 54.58 54.99 3i04 n ASN 323 Cb 0.53 -1.47 -0.09 0.00 -0.61 0.00 0.00 39.78 38.14 3i04 n ASN 323 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3i04 s PHE 324 N -1.90 -0.87 0.00 3.10 5.36 -1.26 -0.82 117.98 121.59 3i04 s PHE 324 Ca 0.74 1.67 0.00 0.00 -0.96 0.00 0.00 56.93 58.39 3i04 s PHE 324 Cb -0.32 0.42 0.00 0.00 -0.34 0.00 0.00 43.02 42.77 3i04 s PHE 324 CO 0.49 -0.48 0.00 0.41 -1.46 0.00 0.00 175.22 174.18 3i04 n GLY 325 N 5.00 1.11 0.34 13.12 0.00 0.36 -4.39 105.19 120.73 3i04 n GLY 325 Ca -0.14 -1.09 0.08 0.00 0.00 0.00 0.00 46.02 44.87 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 0.55 -1.20 1.61 0.13 -1.84 -1.38 132.00 129.88 3i04 h PRO 326 Ca 0.00 -0.03 0.34 0.00 -0.87 0.00 0.00 66.00 65.44 3i04 h PRO 326 Cb 0.00 -0.12 -0.08 0.00 0.13 0.00 0.00 31.00 30.93 3i04 h PRO 326 CO 0.00 0.37 0.82 0.00 -0.23 0.00 0.00 178.00 178.96 3i04 h ALA 327 N 1.68 2.80 -0.02 -0.56 0.00 -1.82 -2.60 119.26 118.73 3i04 h ALA 327 Ca 0.26 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3i04 h ALA 327 Cb 0.30 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3i04 h ALA 327 CO -0.08 -1.21 -0.24 1.19 0.00 0.00 0.00 179.25 178.91 3i04 n PHE 328 N -4.39 0.00 0.19 0.00 3.01 -0.52 -4.22 117.46 111.53 3i04 n PHE 328 Ca 0.28 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.79 3i04 n PHE 328 Cb 1.18 -0.03 0.39 0.00 -0.01 0.00 0.00 39.48 41.01 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 2.73 0.00 -1.91 -1.08 4.81 -1.44 -3.33 114.58 114.36 3i04 h GLU 329 Ca 0.00 0.00 -0.72 0.00 -0.13 0.00 0.00 59.36 58.51 3i04 h GLU 329 Cb 0.73 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 29.79 3i04 h GLU 329 CO 0.00 0.36 0.55 0.41 -0.73 0.00 0.00 179.01 179.60 3i04 n GLY 330 N -0.14 5.70 3.37 1.92 0.00 -1.26 -4.89 105.19 109.89 3i04 n GLY 330 Ca -0.01 -2.57 -0.24 0.00 0.00 0.00 0.00 46.02 43.19 3i04 n GLY 330 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i04 s GLU 331 N -3.94 1.38 -0.01 1.61 -1.05 -1.25 -4.92 118.70 110.52 3i04 s GLU 331 Ca 0.50 -1.46 0.04 0.00 -0.15 0.00 0.00 54.97 53.90 3i04 s GLU 331 Cb 0.40 -1.56 -0.03 0.00 -0.44 0.00 0.00 34.13 32.50 3i04 s GLU 331 CO -0.33 0.33 -0.12 0.45 0.95 0.00 0.00 175.26 176.54 3i04 s SER 332 N -2.67 4.25 -0.71 0.83 0.15 -1.26 -4.97 113.70 109.32 3i04 s SER 332 Ca 0.18 -0.21 -0.09 0.00 0.70 0.00 0.00 55.95 56.52 3i04 s SER 332 Cb -0.07 -0.90 0.18 0.00 -1.71 0.00 0.00 66.02 63.52 3i04 s SER 332 CO 0.08 0.30 0.59 -0.63 1.20 0.00 0.00 173.24 174.79 3i04 s ILE 333 N -0.88 4.72 1.06 6.45 1.01 -1.26 -5.08 121.20 127.22 3i04 s ILE 333 Ca 0.14 -2.57 -0.18 0.00 0.00 0.00 0.00 60.65 58.04 3i04 s ILE 333 Cb -0.11 -3.99 0.27 0.00 0.01 0.00 0.00 42.46 38.65 3i04 s ILE 333 CO 0.04 -0.94 0.69 -2.11 0.00 0.00 0.00 174.94 172.62 3i04 n ARG 334 N 3.91 -3.81 0.06 2.79 1.85 -1.26 -4.83 116.66 115.36 3i04 n ARG 334 Ca 0.08 -1.14 -0.11 0.00 -1.00 0.00 0.00 57.85 55.68 3i04 n ARG 334 Cb 0.42 -1.37 -0.01 0.00 -1.05 0.00 0.00 32.46 30.45 3i04 n ARG 334 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 3i04 h LYS 335 N 0.00 0.38 0.00 2.89 6.56 -1.98 -3.00 116.57 121.41 3i04 h LYS 335 Ca -0.30 -0.37 0.00 0.00 -1.06 0.00 0.00 60.65 58.92 3i04 h LYS 335 Cb 0.98 0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.74 3i04 h LYS 335 CO 0.18 1.04 0.04 0.41 -2.06 0.00 0.00 179.45 179.06 3i04 n GLY 336 N 0.80 -0.72 0.39 3.86 0.00 -1.26 -2.60 105.19 105.66 3i04 n GLY 336 Ca -0.05 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.00 0.01 -3.26 1.61 9.92 -1.24 -5.07 116.55 116.52 3i04 n ASP 337 Ca -0.01 -1.78 -0.20 0.00 -0.53 0.00 0.00 54.79 52.27 3i04 n ASP 337 Cb 0.07 -0.16 0.15 0.00 -0.64 0.00 0.00 41.12 40.54 3i04 n ASP 337 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 3i04 n MET 338 N -0.00 -1.31 0.00 -1.24 1.56 -1.07 -1.50 117.12 113.55 3i04 n MET 338 Ca 0.00 -1.32 0.00 0.00 -0.27 0.00 0.00 57.70 56.11 3i04 n MET 338 Cb 0.65 -0.97 0.00 0.00 2.15 0.00 0.00 33.22 35.06 3i04 n MET 338 CO 0.00 0.00 0.00 0.98 -0.73 0.00 0.00 175.97 176.22 3i04 n TYR 339 N -3.47 -0.89 -3.99 1.12 9.36 -0.17 -3.09 117.16 116.02 3i04 n TYR 339 Ca 0.11 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.25 3i04 n TYR 339 Cb 0.39 0.32 -0.10 0.00 -0.63 0.00 0.00 39.34 39.32 3i04 n TYR 339 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3i04 s VAL 340 N -1.63 0.17 0.01 2.97 1.01 -1.22 -0.97 120.40 120.74 3i04 s VAL 340 Ca 0.00 -1.37 0.03 0.00 0.00 0.00 0.00 61.98 60.64 3i04 s VAL 340 Cb 0.00 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 3i04 s VAL 340 CO 0.00 -0.76 -0.09 -0.70 0.00 0.00 0.00 175.10 173.55 3i04 s GLU 341 N -3.14 0.68 0.07 2.72 2.12 -1.14 -2.60 118.70 117.42 3i04 s GLU 341 Ca -0.00 -0.49 0.05 0.00 0.36 0.00 0.00 54.97 54.89 3i04 s GLU 341 Cb 0.02 -0.62 -0.03 0.00 0.26 0.00 0.00 34.13 33.76 3i04 s GLU 341 CO -0.07 0.16 -0.15 0.00 -0.54 0.00 0.00 175.26 174.66 3i04 s MET 342 N -0.69 0.87 0.27 4.30 0.00 -0.64 -1.26 119.30 122.16 3i04 s MET 342 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 55.69 54.73 3i04 s MET 342 Cb -0.06 -0.91 0.00 0.00 0.00 0.00 0.00 34.83 33.87 3i04 s MET 342 CO 0.00 0.20 0.00 0.41 0.00 0.00 0.00 175.02 175.64 3i04 n GLY 343 N 1.31 -2.07 2.77 3.16 0.00 -1.19 -0.97 105.19 108.21 3i04 n GLY 343 Ca -0.21 -1.37 -0.14 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.10 -0.10 2.69 -0.02 0.00 -0.27 -3.85 105.19 101.55 3i04 n GLY 344 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.14 0.00 -0.22 1.61 3.02 -1.26 -4.76 115.26 111.50 3i04 n ASN 345 Ca -0.12 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.35 3i04 n ASN 345 Cb 0.59 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.79 3i04 n ASN 345 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 3i04 h ARG 346 N 0.00 0.98 -3.99 3.52 3.08 -1.97 -3.44 114.38 112.56 3i04 h ARG 346 Ca 0.00 -0.22 -0.13 0.00 0.07 0.00 0.00 59.98 59.70 3i04 h ARG 346 Cb 0.00 -0.14 -0.17 0.00 0.08 0.00 0.00 29.97 29.74 3i04 h ARG 346 CO 0.00 0.87 -0.61 0.95 -1.07 0.00 0.00 179.97 180.11 3i04 s THR 347 N -5.39 0.16 -0.06 2.04 -4.23 -1.26 -4.99 115.64 101.90 3i04 s THR 347 Ca -0.13 -1.29 -0.30 0.00 -1.18 0.00 0.00 61.69 58.80 3i04 s THR 347 Cb 0.13 -0.96 -0.06 0.00 1.34 0.00 0.00 72.50 72.95 3i04 s THR 347 CO 0.82 -0.71 1.79 -2.16 -0.54 0.00 0.00 174.62 173.82 3i04 s PRO 348 N -2.80 4.03 -0.00 3.99 0.04 -1.26 -3.16 135.00 135.84 3i04 s PRO 348 Ca -0.03 2.24 0.04 0.00 0.04 0.00 0.00 61.00 63.28 3i04 s PRO 348 Cb -0.00 -4.08 -0.01 0.00 0.04 0.00 0.00 34.50 30.45 3i04 s PRO 348 CO -0.06 -1.04 -0.12 0.00 0.04 0.00 0.00 177.00 175.82 3i04 s ALA 349 N 4.66 0.99 0.04 8.56 0.00 -1.26 -2.41 121.76 132.35 3i04 s ALA 349 Ca 0.80 -0.54 -0.00 0.00 0.00 0.00 0.00 51.96 52.22 3i04 s ALA 349 Cb -0.35 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 3i04 s ALA 349 CO 0.34 0.23 -0.04 -0.59 0.00 0.00 0.00 175.76 175.70 3i04 s PHE 350 N -0.34 0.49 -0.03 0.00 -0.12 -0.20 -4.05 117.98 113.73 3i04 s PHE 350 Ca 0.04 -0.84 0.02 0.00 -0.05 0.00 0.00 56.93 56.11 3i04 s PHE 350 Cb -0.05 -0.34 0.01 0.00 -0.63 0.00 0.00 43.02 42.01 3i04 s PHE 350 CO -0.00 -0.27 -0.08 -1.83 -0.05 0.00 0.00 175.22 172.98 3i04 s GLU 351 N -2.94 0.91 -0.14 1.99 -1.05 -1.02 -1.06 118.70 115.39 3i04 s GLU 351 Ca -0.01 -0.27 -0.10 0.00 -0.15 0.00 0.00 54.97 54.43 3i04 s GLU 351 Cb 0.01 -0.86 0.05 0.00 -0.44 0.00 0.00 34.13 32.88 3i04 s GLU 351 CO -0.06 0.09 0.36 -1.17 0.95 0.00 0.00 175.26 175.43 3i04 s LEU 352 N 0.27 0.33 -0.16 1.83 2.96 -0.24 -4.51 118.68 119.15 3i04 s LEU 352 Ca -0.04 0.76 -0.10 0.00 -0.22 0.00 0.00 54.13 54.53 3i04 s LEU 352 Cb -0.09 1.21 -0.05 0.00 0.50 0.00 0.00 46.19 47.76 3i04 s LEU 352 CO 0.00 -0.16 0.17 -0.69 -1.32 0.00 0.00 176.35 174.36 3i04 s VAL 353 N 0.77 5.40 -0.01 1.68 1.01 -1.26 -0.30 120.40 127.69 3i04 s VAL 353 Ca -0.05 0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.27 3i04 s VAL 353 Cb -0.06 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 3i04 s VAL 353 CO -0.05 0.48 -0.18 -0.60 0.00 0.00 0.00 175.10 174.75 3i04 s ARG 354 N -0.04 1.41 -0.28 2.72 3.52 0.11 -4.90 118.95 121.48 3i04 s ARG 354 Ca 0.12 -0.64 -0.23 0.00 -0.13 0.00 0.00 55.73 54.85 3i04 s ARG 354 Cb -0.12 -1.37 -0.00 0.00 -1.56 0.00 0.00 34.95 31.90 3i04 s ARG 354 CO 0.01 0.37 0.79 0.99 -0.81 0.00 0.00 175.30 176.65 3i04 s THR 355 N -0.43 4.83 -0.01 4.11 2.01 -1.26 -0.92 115.64 123.97 3i04 s THR 355 Ca 0.07 1.31 -0.00 0.00 0.31 0.00 0.00 61.69 63.37 3i04 s THR 355 Cb -0.07 -4.11 0.01 0.00 0.01 0.00 0.00 72.50 68.33 3i04 s THR 355 CO -0.01 -0.16 0.02 0.68 -0.69 0.00 0.00 174.62 174.46 3i04 s VAL 356 N 2.87 -0.01 0.86 3.82 -7.23 -0.36 -4.96 120.40 115.40 3i04 s VAL 356 Ca 0.33 0.04 -0.11 0.00 -1.81 0.00 0.00 61.98 60.42 3i04 s VAL 356 Cb -0.15 -0.04 0.12 0.00 0.56 0.00 0.00 36.38 36.87 3i04 s VAL 356 CO 0.10 0.01 1.17 -0.94 -0.31 0.00 0.00 175.10 175.14 3i04 s SER 357 N 0.19 3.24 -0.98 4.85 1.04 -1.26 -4.07 113.70 116.71 3i04 s SER 357 Ca -0.01 2.26 -0.24 0.00 0.48 0.00 0.00 55.95 58.43 3i04 s SER 357 Cb -0.02 -2.58 -0.05 0.00 0.10 0.00 0.00 66.02 63.47 3i04 s SER 357 CO -0.01 -2.89 1.92 -0.70 0.98 0.00 0.00 173.24 172.55 3i04 s GLU 358 N -4.44 2.59 0.00 4.02 2.12 -1.26 -2.13 118.70 119.61 3i04 s GLU 358 Ca 0.69 -0.55 0.00 0.00 0.36 0.00 0.00 54.97 55.47 3i04 s GLU 358 Cb -0.25 -5.12 0.00 0.00 0.26 0.00 0.00 34.13 29.02 3i04 s GLU 358 CO 0.55 -3.47 0.00 -1.13 -0.54 0.00 0.00 175.26 170.66 3i04 n SER 359 N 13.84 0.00 -0.44 -1.70 3.41 -1.26 -4.91 113.62 122.55 3i04 n SER 359 Ca 0.41 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 59.09 3i04 n SER 359 Cb 0.47 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.67 3i04 n SER 359 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3i04 n GLU 360 N 0.00 1.57 -4.21 4.33 2.13 -0.91 -4.90 120.64 118.66 3i04 n GLU 360 Ca 0.00 -0.87 -0.18 0.00 0.66 0.00 0.00 57.16 56.77 3i04 n GLU 360 Cb 0.00 -1.27 -0.12 0.00 0.27 0.00 0.00 31.44 30.32 3i04 n GLU 360 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 3i04 s ILE 361 N -1.74 1.22 -0.06 6.31 2.07 -1.24 -4.93 121.20 122.83 3i04 s ILE 361 Ca 0.23 -1.50 0.01 0.00 -1.41 0.00 0.00 60.65 57.99 3i04 s ILE 361 Cb 0.12 -1.30 0.02 0.00 0.13 0.00 0.00 42.46 41.43 3i04 s ILE 361 CO 0.18 -0.31 -0.08 0.42 -1.91 0.00 0.00 174.94 173.24 3i04 s THR 362 N -1.67 0.85 -0.21 4.00 -4.23 -1.26 -5.03 115.64 108.10 3i04 s THR 362 Ca 0.03 -0.29 -0.29 0.00 -1.18 0.00 0.00 61.69 59.96 3i04 s THR 362 Cb -0.08 -0.82 -0.02 0.00 1.34 0.00 0.00 72.50 72.92 3i04 s THR 362 CO 0.03 0.30 1.48 -0.62 -0.54 0.00 0.00 174.62 175.26 3i04 s ASP 363 N 0.92 6.59 0.00 3.99 2.15 -1.26 -2.87 116.67 126.19 3i04 s ASP 363 Ca -0.10 1.61 0.00 0.00 0.43 0.00 0.00 52.55 54.49 3i04 s ASP 363 Cb -0.15 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.94 3i04 s ASP 363 CO 0.01 -1.08 0.00 0.61 -0.17 0.00 0.00 175.17 174.54 3i04 n GLY 364 N 4.31 0.59 3.66 2.66 0.00 -0.42 -4.96 105.19 111.03 3i04 n GLY 364 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.81 4.19 -0.08 1.61 2.20 -1.14 -4.95 119.74 120.76 3i04 s LYS 365 Ca 0.00 2.13 0.02 0.00 -0.36 0.00 0.00 55.97 57.76 3i04 s LYS 365 Cb 0.00 -3.96 0.01 0.00 -1.51 0.00 0.00 37.83 32.37 3i04 s LYS 365 CO 0.00 -0.83 -0.14 0.42 -0.36 0.00 0.00 175.35 174.44 3i04 s ILE 366 N 3.98 1.28 -0.02 5.43 1.01 -1.26 -2.10 121.20 129.52 3i04 s ILE 366 Ca 0.71 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.83 3i04 s ILE 366 Cb -0.32 -1.17 0.01 0.00 0.01 0.00 0.00 42.46 40.99 3i04 s ILE 366 CO 0.28 0.39 -0.05 -1.61 0.00 0.00 0.00 174.94 173.95 3i04 s GLU 367 N 0.75 0.65 -0.48 2.79 2.02 -0.99 -5.03 118.70 118.40 3i04 s GLU 367 Ca -0.13 -0.15 -0.13 0.00 0.02 0.00 0.00 54.97 54.58 3i04 s GLU 367 Cb -0.16 -0.66 0.10 0.00 0.10 0.00 0.00 34.13 33.51 3i04 s GLU 367 CO 0.03 0.02 0.40 0.08 0.02 0.00 0.00 175.26 175.80 3i04 s VAL 368 N 0.42 4.87 -0.61 2.63 1.01 -1.26 -0.98 120.40 126.48 3i04 s VAL 368 Ca -0.05 -1.39 -0.20 0.00 0.00 0.00 0.00 61.98 60.34 3i04 s VAL 368 Cb -0.09 -4.04 0.10 0.00 0.00 0.00 0.00 36.38 32.35 3i04 s VAL 368 CO -0.00 -0.70 0.76 -0.63 0.00 0.00 0.00 175.10 174.53 3i04 s ILE 369 N 1.54 4.72 -3.99 2.22 1.01 -0.47 -4.89 121.20 121.34 3i04 s ILE 369 Ca 0.04 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.81 3i04 s ILE 369 Cb -0.26 -4.53 0.00 0.00 0.01 0.00 0.00 42.46 37.67 3i04 s ILE 369 CO 0.03 -1.20 0.00 0.61 0.00 0.00 0.00 174.94 174.38 3i04 n GLY 370 N 5.29 0.91 3.74 6.18 0.00 -1.26 -1.35 105.19 118.70 3i04 n GLY 370 Ca -0.08 -2.01 -0.41 0.00 0.00 0.00 0.00 46.02 43.52 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 -1.33 4.47 0.67 1.61 0.04 -1.26 -4.88 135.00 134.32 3i04 s PRO 371 Ca 0.00 1.91 -0.11 0.00 0.04 0.00 0.00 61.00 62.84 3i04 s PRO 371 Cb 0.00 -3.23 0.15 0.00 0.04 0.00 0.00 34.50 31.46 3i04 s PRO 371 CO 0.00 -0.12 0.91 -3.47 0.04 0.00 0.00 177.00 174.35 3i04 n ASP 372 N 2.52 0.10 0.17 6.66 -0.08 -1.26 -4.80 116.55 119.85 3i04 n ASP 372 Ca 0.05 -1.35 0.13 0.00 -1.51 0.00 0.00 54.79 52.11 3i04 n ASP 372 Cb 0.44 -0.69 0.46 0.00 2.34 0.00 0.00 41.12 43.67 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 -1.49 0.00 0.00 5.18 2.10 -1.94 -3.00 117.51 118.35 3i04 h ILE 373 Ca -0.29 -0.48 0.00 0.00 1.08 0.00 0.00 64.86 65.17 3i04 h ILE 373 Cb 0.81 1.39 0.00 0.00 -1.09 0.00 0.00 36.82 37.93 3i04 h ILE 373 CO 0.21 0.00 -1.32 -0.90 -1.08 0.00 0.00 178.15 175.06 3i04 n ASP 374 N -2.55 0.50 -0.56 2.19 3.85 -1.26 -3.93 116.55 114.80 3i04 n ASP 374 Ca 0.03 -0.20 0.03 0.00 -0.71 0.00 0.00 54.79 53.94 3i04 n ASP 374 Cb 0.35 1.16 0.11 0.00 -1.35 0.00 0.00 41.12 41.39 3i04 n ASP 374 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3i04 n GLN 375 N -2.07 1.70 -4.08 0.11 6.02 -1.13 -4.90 117.38 113.03 3i04 n GLN 375 Ca 0.00 -0.84 -0.13 0.00 -0.01 0.00 0.00 57.00 56.02 3i04 n GLN 375 Cb 0.48 -1.33 -0.11 0.00 1.02 0.00 0.00 30.24 30.29 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 -1.65 0.59 0.37 5.09 -4.36 -1.25 -4.92 121.20 115.07 3i04 s ILE 376 Ca 0.15 -1.16 -0.24 0.00 -0.26 0.00 0.00 60.65 59.14 3i04 s ILE 376 Cb 0.09 -0.72 -0.10 0.00 1.25 0.00 0.00 42.46 42.98 3i04 s ILE 376 CO 0.09 -0.41 0.97 -2.16 0.24 0.00 0.00 174.94 173.67 3i04 s PRO 377 N -1.75 4.39 0.30 0.37 0.04 -1.26 -4.99 135.00 132.09 3i04 s PRO 377 Ca -0.08 1.32 -0.27 0.00 0.04 0.00 0.00 61.00 62.02 3i04 s PRO 377 Cb -0.09 -2.58 -0.14 0.00 0.04 0.00 0.00 34.50 31.73 3i04 s PRO 377 CO 0.00 0.10 0.82 -1.91 0.04 0.00 0.00 177.00 176.05 3i04 n GLU 378 N 0.10 0.92 -3.12 4.56 2.13 -1.26 -2.48 120.64 121.49 3i04 n GLU 378 Ca 0.04 0.32 -0.22 0.00 0.66 0.00 0.00 57.16 57.96 3i04 n GLU 378 Cb 0.51 -1.61 0.04 0.00 0.27 0.00 0.00 31.44 30.65 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 1.49 -0.50 0.00 8.31 0.00 -0.14 -5.03 105.19 109.31 3i04 n GLY 379 Ca 0.12 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.53 0.42 -3.85 1.61 3.41 -0.99 -4.96 113.62 106.74 3i04 n SER 380 Ca -0.09 -0.49 -0.12 0.00 -0.26 0.00 0.00 58.87 57.92 3i04 n SER 380 Cb 0.61 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.46 3i04 n SER 380 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3i04 s LYS 381 N 0.35 0.50 -0.04 4.33 1.02 -1.26 -2.87 119.74 121.77 3i04 s LYS 381 Ca 0.00 -0.31 -0.05 0.00 0.02 0.00 0.00 55.97 55.63 3i04 s LYS 381 Cb 0.00 0.21 0.01 0.00 -0.52 0.00 0.00 37.83 37.53 3i04 s LYS 381 CO 0.00 -0.12 0.13 -1.17 -0.92 0.00 0.00 175.35 173.27 3i04 s LEU 382 N -1.27 1.54 0.58 3.17 2.96 -0.39 -4.94 118.68 120.33 3i04 s LEU 382 Ca -0.13 0.13 -0.19 0.00 -0.22 0.00 0.00 54.13 53.71 3i04 s LEU 382 Cb -0.07 0.49 -0.04 0.00 0.50 0.00 0.00 46.19 47.07 3i04 s LEU 382 CO 0.02 -0.13 1.23 -2.16 -1.32 0.00 0.00 176.35 173.99 3i04 s PRO 383 N -0.32 3.04 -0.12 0.98 0.04 -1.26 -4.22 135.00 133.14 3i04 s PRO 383 Ca -0.04 1.88 -0.07 0.00 0.04 0.00 0.00 61.00 62.82 3i04 s PRO 383 Cb -0.03 -2.01 0.05 0.00 0.04 0.00 0.00 34.50 32.55 3i04 s PRO 383 CO 0.00 -1.16 0.28 -1.17 0.04 0.00 0.00 177.00 174.99 3i04 s LEU 384 N -3.93 0.38 -0.06 -3.56 2.96 -1.01 -4.04 118.68 109.43 3i04 s LEU 384 Ca 0.76 0.60 0.00 0.00 -0.22 0.00 0.00 54.13 55.28 3i04 s LEU 384 Cb -0.32 0.89 0.02 0.00 0.50 0.00 0.00 46.19 47.29 3i04 s LEU 384 CO 0.35 -0.16 -0.04 -0.83 -1.32 0.00 0.00 176.35 174.35 3i04 s GLY 385 N 1.13 0.51 -0.46 7.98 0.00 0.11 -1.03 107.32 115.56 3i04 s GLY 385 Ca -0.08 -0.13 -0.11 0.00 0.00 0.00 0.00 44.72 44.39 3i04 s GLY 385 CO -0.08 0.63 0.34 -0.42 0.00 0.00 0.00 173.10 173.57 3i04 s ILE 386 N 1.23 4.57 -0.39 0.90 1.01 -0.22 -1.11 121.20 127.18 3i04 s ILE 386 Ca -0.06 -1.44 -0.16 0.00 0.00 0.00 0.00 60.65 59.00 3i04 s ILE 386 Cb -0.14 -3.85 0.01 0.00 0.01 0.00 0.00 42.46 38.49 3i04 s ILE 386 CO -0.02 -0.64 0.36 -0.22 0.00 0.00 0.00 174.94 174.42 3i04 s LEU 387 N 1.48 4.81 -0.40 2.97 2.96 0.05 -1.08 118.68 129.46 3i04 s LEU 387 Ca 0.04 -0.62 -0.12 0.00 -0.22 0.00 0.00 54.13 53.21 3i04 s LEU 387 Cb -0.25 -2.28 0.04 0.00 0.50 0.00 0.00 46.19 44.21 3i04 s LEU 387 CO 0.02 -0.45 0.26 -0.69 -1.32 0.00 0.00 176.35 174.18 3i04 s VAL 388 N 1.92 4.72 -0.09 1.68 1.01 0.59 -1.11 120.40 129.12 3i04 s VAL 388 Ca 0.09 -0.96 -0.22 0.00 0.00 0.00 0.00 61.98 60.89 3i04 s VAL 388 Cb -0.18 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 3i04 s VAL 388 CO 0.12 -0.35 0.62 -1.81 0.00 0.00 0.00 175.10 173.68 3i04 s ASP 389 N 1.83 6.88 0.00 3.32 -0.00 0.14 0.04 116.67 128.89 3i04 s ASP 389 Ca 0.03 1.06 0.03 0.00 -0.00 0.00 0.00 52.55 53.67 3i04 s ASP 389 Cb -0.21 -2.37 -0.01 0.00 -0.00 0.00 0.00 42.92 40.34 3i04 s ASP 389 CO 0.06 -0.08 -0.10 -0.63 -0.00 0.00 0.00 175.17 174.43 3i04 s ILE 390 N 0.75 0.78 -0.02 0.77 -1.09 -0.10 -1.68 121.20 120.63 3i04 s ILE 390 Ca 0.33 -0.56 -0.18 0.00 -2.23 0.00 0.00 60.65 58.01 3i04 s ILE 390 Cb -0.17 -0.68 0.03 0.00 -1.58 0.00 0.00 42.46 40.06 3i04 s ILE 390 CO 0.15 0.12 0.39 -0.47 -1.23 0.00 0.00 174.94 173.91 3i04 s TYR 391 N -0.42 -0.28 -0.04 3.97 5.04 -1.18 -1.22 117.35 123.21 3i04 s TYR 391 Ca 0.02 0.42 -0.22 0.00 -2.44 0.00 0.00 57.07 54.86 3i04 s TYR 391 Cb -0.05 0.17 0.04 0.00 0.35 0.00 0.00 41.96 42.47 3i04 s TYR 391 CO -0.00 -0.45 0.48 0.20 -1.34 0.00 0.00 175.55 174.44 3i04 s GLY 392 N -1.37 -0.34 0.47 8.97 0.00 -1.10 -2.31 107.32 111.63 3i04 s GLY 392 Ca -0.12 0.82 0.26 0.00 0.00 0.00 0.00 44.72 45.68 3i04 s GLY 392 CO 0.05 0.55 1.78 0.07 0.00 0.00 0.00 173.10 175.56 3i04 h ARG 393 N 3.64 0.00 0.00 2.90 0.11 -1.85 0.41 114.38 119.59 3i04 h ARG 393 Ca -0.28 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.80 3i04 h ARG 393 Cb 1.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.24 3i04 h ARG 393 CO 0.38 0.00 -0.32 1.63 0.10 0.00 0.00 179.97 181.75 3i04 n LYS 394 N -2.51 0.03 -2.19 0.08 4.76 -1.26 -4.98 118.16 112.08 3i04 n LYS 394 Ca -0.02 0.01 -0.39 0.00 -2.87 0.00 0.00 58.31 55.05 3i04 n LYS 394 Cb 0.18 -1.53 -0.01 0.00 -1.84 0.00 0.00 35.03 31.83 3i04 n LYS 394 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 3i04 s MET 395 N -3.02 3.99 0.11 1.97 1.75 0.14 -4.84 119.30 119.41 3i04 s MET 395 Ca 0.12 1.96 0.04 0.00 -1.25 0.00 0.00 55.69 56.56 3i04 s MET 395 Cb 0.17 -2.69 -0.04 0.00 2.84 0.00 0.00 34.83 35.12 3i04 s MET 395 CO 0.64 -0.41 -0.11 -0.65 -0.65 0.00 0.00 175.02 173.84 3i04 s GLN 396 N -2.30 0.92 0.04 4.11 -1.52 -1.26 -4.92 119.66 114.73 3i04 s GLN 396 Ca 0.58 -1.24 0.25 0.00 -1.95 0.00 0.00 55.36 53.00 3i04 s GLN 396 Cb -0.33 -0.60 1.04 0.00 -0.22 0.00 0.00 33.01 32.90 3i04 s GLN 396 CO 0.42 0.09 1.81 0.00 -0.25 0.00 0.00 175.29 177.36 3i04 n ALA 397 N 0.36 2.16 -0.15 6.09 0.00 -1.26 -2.69 120.51 125.03 3i04 n ALA 397 Ca -0.14 -0.07 -0.09 0.00 0.00 0.00 0.00 53.44 53.13 3i04 n ALA 397 Cb 0.58 -1.42 0.04 0.00 0.00 0.00 0.00 19.45 18.66 3i04 n ALA 397 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3i04 h ASP 398 N 0.00 0.95 0.99 0.00 5.19 -2.02 -3.27 116.42 118.26 3i04 h ASP 398 Ca 0.00 -0.33 -0.11 0.00 -0.62 0.00 0.00 57.03 55.98 3i04 h ASP 398 Cb 0.48 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.71 3i04 h ASP 398 CO 0.00 1.09 -0.52 -0.26 -3.12 0.00 0.00 179.24 176.43 3i04 h PHE 399 N 0.83 0.00 -0.65 4.55 0.05 -1.93 -3.32 116.94 116.48 3i04 h PHE 399 Ca 0.12 0.00 0.13 0.00 3.82 0.00 0.00 57.97 62.04 3i04 h PHE 399 Cb 0.70 0.00 -0.12 0.00 2.00 0.00 0.00 35.95 38.53 3i04 h PHE 399 CO 0.04 0.52 -0.21 1.49 -0.18 0.00 0.00 178.31 179.98 3i04 h GLU 400 N 0.00 -0.04 0.00 1.51 4.81 -1.60 -0.46 114.58 118.80 3i04 h GLU 400 Ca -0.01 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 3i04 h GLU 400 Cb 1.16 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 3i04 h GLU 400 CO 0.07 -0.03 -0.17 0.78 -0.73 0.00 0.00 179.01 178.93 3i04 h GLY 401 N -0.04 0.00 0.27 1.92 0.00 -1.75 -2.67 103.07 100.79 3i04 h GLY 401 Ca 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 3i04 h GLY 401 CO -0.69 0.00 -0.10 -2.08 0.00 0.00 0.00 176.54 173.67 3i04 h VAL 402 N 0.00 0.32 -1.08 4.60 2.07 -1.50 -3.32 116.25 117.34 3i04 h VAL 402 Ca -0.00 -0.94 0.29 0.00 0.82 0.00 0.00 66.70 66.87 3i04 h VAL 402 Cb 0.64 0.56 -0.09 0.00 -1.52 0.00 0.00 31.29 30.88 3i04 h VAL 402 CO 0.02 0.09 0.71 -0.07 0.02 0.00 0.00 177.57 178.34 3i04 h LEU 403 N -1.02 0.34 -0.90 2.57 3.38 -1.11 -2.58 115.31 116.00 3i04 h LEU 403 Ca -0.03 0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 3i04 h LEU 403 Cb 0.37 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3i04 h LEU 403 CO 0.05 0.05 -0.51 -0.08 0.09 0.00 0.00 178.44 178.04 3i04 h GLU 404 N 0.29 0.11 0.00 1.13 4.81 -1.58 -3.26 114.58 116.08 3i04 h GLU 404 Ca 0.60 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.77 3i04 h GLU 404 Cb 1.71 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.09 3i04 h GLU 404 CO -0.24 0.59 0.00 -0.09 -0.73 0.00 0.00 179.01 178.54 3i04 h ARG 405 N 0.09 0.00 0.00 1.92 2.43 -1.55 -2.97 114.38 114.29 3i04 h ARG 405 Ca 0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 3i04 h ARG 405 Cb 0.93 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.47 3i04 h ARG 405 CO 0.07 0.00 -0.17 0.00 -1.51 0.00 0.00 179.97 178.36 3i04 h ARG 406 N 0.00 0.00 -0.78 0.20 2.47 -1.70 -3.31 114.38 111.27 3i04 h ARG 406 Ca 0.00 0.00 0.15 0.00 -1.26 0.00 0.00 59.98 58.87 3i04 h ARG 406 Cb 0.72 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 28.89 3i04 h ARG 406 CO 0.00 0.17 -0.23 0.82 0.56 0.00 0.00 179.97 181.29 3i04 h ILE 407 N 0.00 0.19 -0.71 2.04 1.08 -1.68 0.18 117.51 118.62 3i04 h ILE 407 Ca -0.00 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.62 3i04 h ILE 407 Cb 0.86 0.19 -0.11 0.00 -3.07 0.00 0.00 36.82 34.68 3i04 h ILE 407 CO 0.02 0.00 0.10 -0.74 -0.69 0.00 0.00 178.15 176.84 3i04 h HIS 408 N -0.03 0.14 -0.19 1.37 2.76 -1.80 -0.94 115.15 116.45 3i04 h HIS 408 Ca 0.36 0.05 -0.18 0.00 -2.20 0.00 0.00 60.37 58.40 3i04 h HIS 408 Cb 0.58 0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.59 3i04 h HIS 408 CO -0.65 -0.14 -0.57 -0.44 -1.30 0.00 0.00 177.93 174.84 3i04 h ASP 409 N 0.20 0.83 0.12 3.26 3.32 -1.22 -2.96 116.42 119.97 3i04 h ASP 409 Ca 0.39 -0.59 0.01 0.00 0.02 0.00 0.00 57.03 56.86 3i04 h ASP 409 Cb 0.67 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 3i04 h ASP 409 CO -0.54 1.27 -0.13 -0.26 -1.72 0.00 0.00 179.24 177.86 3i04 h PHE 410 N 0.44 -0.34 -0.40 4.55 0.04 0.03 -2.72 116.94 118.53 3i04 h PHE 410 Ca -0.02 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.69 3i04 h PHE 410 Cb 1.19 0.14 -0.01 0.00 2.20 0.00 0.00 35.95 39.46 3i04 h PHE 410 CO 0.09 -0.20 0.01 0.82 -0.60 0.00 0.00 178.31 178.42 3i04 h ILE 411 N -0.29 1.26 0.00 -0.55 2.04 -1.33 -3.15 117.51 115.50 3i04 h ILE 411 Ca 0.01 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 64.87 3i04 h ILE 411 Cb 0.28 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.48 3i04 h ILE 411 CO -0.05 0.34 -0.00 0.78 0.00 0.00 0.00 178.15 179.22 3i04 h ASN 412 N 0.53 0.00 -0.02 1.72 2.35 -1.46 -1.78 115.58 116.92 3i04 h ASN 412 Ca 0.11 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.87 3i04 h ASN 412 Cb 0.47 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.84 3i04 h ASN 412 CO 0.02 0.00 0.16 1.88 -1.65 0.00 0.00 177.43 177.84 3i04 h TYR 413 N 0.00 0.00 -3.14 1.19 0.99 -1.43 -3.18 116.97 111.40 3i04 h TYR 413 Ca -0.00 0.00 -0.54 0.00 2.00 0.00 0.00 58.73 60.19 3i04 h TYR 413 Cb 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 37.72 3i04 h TYR 413 CO 0.00 0.00 0.63 0.20 -0.00 0.00 0.00 178.16 178.99 3i04 s GLY 414 N -3.98 2.26 0.03 3.88 0.00 -0.67 -0.49 107.32 108.35 3i04 s GLY 414 Ca -0.04 0.69 -0.30 0.00 0.00 0.00 0.00 44.72 45.07 3i04 s GLY 414 CO 0.37 2.12 1.96 1.85 0.00 0.00 0.00 173.10 179.40 3i04 s GLU 415 N 1.76 4.12 0.00 2.90 2.12 0.00 -1.69 118.70 127.91 3i04 s GLU 415 Ca 0.57 2.58 0.00 0.00 0.36 0.00 0.00 54.97 58.47 3i04 s GLU 415 Cb -0.26 -4.16 0.00 0.00 0.26 0.00 0.00 34.13 29.97 3i04 s GLU 415 CO 0.25 -0.98 0.00 0.41 -0.54 0.00 0.00 175.26 174.40 3i04 n GLY 416 N 4.55 0.58 3.39 -1.50 0.00 -1.26 -4.74 105.19 106.21 3i04 n GLY 416 Ca 0.20 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 2.37 -0.07 0.99 1.43 -0.68 -1.14 118.68 121.58 3i04 s LEU 417 Ca 0.00 -0.40 -0.08 0.00 -1.03 0.00 0.00 54.13 52.62 3i04 s LEU 417 Cb 0.00 -1.43 0.02 0.00 0.03 0.00 0.00 46.19 44.81 3i04 s LEU 417 CO 0.00 0.31 0.22 0.86 0.23 0.00 0.00 176.35 177.96 3i04 s TRP 418 N -0.73 -0.20 -0.19 0.29 -0.00 -0.90 -4.47 118.94 112.74 3i04 s TRP 418 Ca 0.12 0.47 -0.22 0.00 -0.00 0.00 0.00 56.10 56.46 3i04 s TRP 418 Cb -0.10 0.07 0.06 0.00 -0.00 0.00 0.00 33.47 33.49 3i04 s TRP 418 CO 0.01 -0.16 0.60 -1.58 -0.00 0.00 0.00 176.95 175.81 3i04 s HIS 419 N -0.21 -0.63 -0.29 5.86 5.65 -1.26 -1.98 115.29 122.42 3i04 s HIS 419 Ca -0.03 1.46 -0.14 0.00 0.25 0.00 0.00 55.06 56.60 3i04 s HIS 419 Cb -0.03 0.24 0.11 0.00 -1.18 0.00 0.00 32.58 31.72 3i04 s HIS 419 CO 0.01 -0.37 0.74 -0.08 -0.65 0.00 0.00 174.74 174.39 3i04 s THR 420 N -0.00 -0.27 -5.00 0.89 -1.32 -0.47 -4.91 115.64 104.55 3i04 s THR 420 Ca -0.02 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.46 3i04 s THR 420 Cb -0.04 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.95 3i04 s THR 420 CO 0.02 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 3i04 n GLY 421 N 4.55 0.42 3.39 6.08 0.00 -1.26 -1.29 105.19 117.08 3i04 n GLY 421 Ca -0.17 -1.71 -0.12 0.00 0.00 0.00 0.00 46.02 44.02 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 -2.00 1.21 4.41 1.61 0.00 -1.18 -4.89 119.66 118.83 3i04 s GLN 422 Ca 0.00 -0.53 0.00 0.00 -0.00 0.00 0.00 55.36 54.83 3i04 s GLN 422 Cb 0.00 0.55 0.00 0.00 0.00 0.00 0.00 33.01 33.56 3i04 s GLN 422 CO 0.00 -0.51 0.00 0.54 0.00 0.00 0.00 175.29 175.32 3i04 n ARG 423 N -0.30 0.00 -0.01 9.60 1.74 -1.26 -1.32 116.66 125.10 3i04 n ARG 423 Ca -0.17 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 56.99 3i04 n ARG 423 Cb 0.64 0.00 0.46 0.00 -1.02 0.00 0.00 32.46 32.54 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 1.78 0.22 -2.75 0.55 2.04 -1.26 -2.43 115.26 113.42 3i04 n ASN 424 Ca 0.00 -1.53 -0.26 0.00 -0.44 0.00 0.00 54.58 52.35 3i04 n ASN 424 Cb 0.00 -0.02 -0.02 0.00 -2.53 0.00 0.00 39.78 37.21 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 -0.60 2.54 -1.11 1.53 2.08 -0.43 -4.52 119.36 118.84 3i04 n ILE 425 Ca 0.12 -5.16 -0.20 0.00 0.56 0.00 0.00 62.75 58.07 3i04 n ILE 425 Cb 0.09 -1.20 0.16 0.00 -0.75 0.00 0.00 39.64 37.94 3i04 n ILE 425 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 3i04 n ASN 426 N -0.31 -1.16 -3.32 4.38 5.03 -1.18 -3.08 115.26 115.61 3i04 n ASN 426 Ca 0.33 -1.07 0.02 0.00 0.87 0.00 0.00 54.58 54.74 3i04 n ASN 426 Cb 0.53 -0.68 -0.04 0.00 -1.02 0.00 0.00 39.78 38.58 3i04 n ASN 426 CO 0.00 0.00 0.00 0.86 -1.83 0.00 0.00 177.26 176.29 3i04 s TRP 427 N -2.53 -0.48 0.00 3.10 -0.00 -0.41 -1.12 118.94 117.52 3i04 s TRP 427 Ca 0.48 0.81 -0.09 0.00 -0.00 0.00 0.00 56.10 57.31 3i04 s TRP 427 Cb -0.04 0.28 0.01 0.00 -0.00 0.00 0.00 33.47 33.72 3i04 s TRP 427 CO 0.36 -0.24 0.17 -0.48 -0.00 0.00 0.00 176.95 176.77 3i04 s LEU 428 N 2.33 1.41 0.01 5.86 2.34 -0.14 -1.37 118.68 129.13 3i04 s LEU 428 Ca -0.01 -0.18 0.03 0.00 0.06 0.00 0.00 54.13 54.02 3i04 s LEU 428 Cb -0.04 0.81 -0.01 0.00 -0.56 0.00 0.00 46.19 46.39 3i04 s LEU 428 CO -0.17 -0.41 -0.09 -0.13 -1.06 0.00 0.00 176.35 174.49 3i04 s ARG 429 N -1.53 0.65 -0.07 1.48 0.52 -0.84 -1.61 118.95 117.56 3i04 s ARG 429 Ca -0.13 -0.46 0.05 0.00 -0.52 0.00 0.00 55.73 54.66 3i04 s ARG 429 Cb -0.06 -0.60 -0.01 0.00 0.52 0.00 0.00 34.95 34.80 3i04 s ARG 429 CO 0.01 0.15 -0.21 0.08 0.02 0.00 0.00 175.30 175.36 3i04 s VAL 430 N -0.55 2.42 0.60 3.52 1.01 -1.07 -2.12 120.40 124.22 3i04 s VAL 430 Ca 0.00 -0.93 -0.13 0.00 0.00 0.00 0.00 61.98 60.92 3i04 s VAL 430 Cb -0.05 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 3i04 s VAL 430 CO 0.00 0.57 1.03 -0.94 0.00 0.00 0.00 175.10 175.75 3i04 s SER 431 N -0.21 6.17 0.44 3.32 1.04 -0.29 -1.00 113.70 123.16 3i04 s SER 431 Ca -0.01 1.51 0.23 0.00 0.48 0.00 0.00 55.95 58.16 3i04 s SER 431 Cb -0.13 -2.49 0.43 0.00 0.10 0.00 0.00 66.02 63.93 3i04 s SER 431 CO 0.03 -0.91 1.64 0.07 0.98 0.00 0.00 173.24 175.05 3i04 h LYS 432 N -0.03 0.00 -0.22 4.02 2.10 -1.20 -2.62 116.57 118.62 3i04 h LYS 432 Ca -0.45 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.08 3i04 h LYS 432 Cb 1.19 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.51 3i04 h LYS 432 CO 0.61 0.05 -0.39 0.22 -2.00 0.00 0.00 179.45 177.94 3i04 h ASP 433 N 0.00 0.52 -0.24 7.07 3.58 -1.90 -1.94 116.42 123.51 3i04 h ASP 433 Ca -0.00 -0.22 -0.04 0.00 0.42 0.00 0.00 57.03 57.18 3i04 h ASP 433 Cb 0.98 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.88 3i04 h ASP 433 CO 0.01 0.86 -0.02 0.00 -2.88 0.00 0.00 179.24 177.21 3i04 h ALA 434 N 1.17 0.33 -0.56 -0.78 0.00 -1.80 -2.78 119.26 114.84 3i04 h ALA 434 Ca 0.04 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.78 3i04 h ALA 434 Cb 0.87 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 3i04 h ALA 434 CO 0.07 0.08 0.26 0.28 0.00 0.00 0.00 179.25 179.94 3i04 h VAL 435 N 0.20 0.90 -0.64 0.00 2.07 -1.48 -0.82 116.25 116.48 3i04 h VAL 435 Ca 0.07 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 3i04 h VAL 435 Cb 0.45 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 3i04 h VAL 435 CO 0.02 0.09 0.22 0.00 0.02 0.00 0.00 177.57 177.92 3i04 h ALA 436 N 1.33 1.19 0.00 1.67 0.00 -1.37 -1.69 119.26 120.38 3i04 h ALA 436 Ca 0.26 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3i04 h ALA 436 Cb 0.22 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3i04 h ALA 436 CO -0.21 0.58 0.00 1.63 0.00 0.00 0.00 179.25 181.25 3i04 n LYS 437 N -4.29 0.04 0.00 0.00 5.02 -1.05 -4.88 118.16 113.01 3i04 n LYS 437 Ca 0.05 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 3i04 n LYS 437 Cb 0.20 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 3i04 n LYS 437 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i04 n GLY 438 N 0.55 1.43 3.75 0.72 0.00 -0.64 -4.78 105.19 106.23 3i04 n GLY 438 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 2.77 0.13 1.61 5.36 -0.35 -4.89 117.98 120.62 3i04 s PHE 439 Ca 0.00 0.86 -0.02 0.00 -0.96 0.00 0.00 56.93 56.81 3i04 s PHE 439 Cb 0.00 -4.02 -0.03 0.00 -0.34 0.00 0.00 43.02 38.62 3i04 s PHE 439 CO 0.00 -3.38 0.09 1.03 -1.46 0.00 0.00 175.22 171.50 3i04 s ARG 440 N -0.67 0.94 0.50 10.12 3.00 -1.26 -4.59 118.95 126.99 3i04 s ARG 440 Ca 0.61 -1.38 0.34 0.00 0.00 0.00 0.00 55.73 55.30 3i04 s ARG 440 Cb -0.47 0.26 1.72 0.00 0.00 0.00 0.00 34.95 36.46 3i04 s ARG 440 CO 0.49 -0.28 2.02 0.74 0.00 0.00 0.00 175.30 178.27 3i04 h PHE 441 N 2.83 0.00 0.00 -0.53 0.05 -1.96 -1.50 116.94 115.82 3i04 h PHE 441 Ca -0.34 0.00 -0.04 0.00 3.82 0.00 0.00 57.97 61.41 3i04 h PHE 441 Cb 1.20 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 39.15 3i04 h PHE 441 CO 0.43 0.00 -0.17 1.57 -0.18 0.00 0.00 178.31 179.96 3i04 h LYS 442 N 0.00 0.00 -0.29 1.51 2.10 -1.97 -2.77 116.57 115.15 3i04 h LYS 442 Ca 0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.60 3i04 h LYS 442 Cb 0.13 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.45 3i04 h LYS 442 CO 0.00 0.17 -0.04 -0.91 -2.00 0.00 0.00 179.45 176.68 3i04 h ASN 443 N 0.00 0.43 -0.29 7.07 -0.26 -1.69 0.33 115.58 121.17 3i04 h ASN 443 Ca -0.00 -0.08 0.07 0.00 -0.56 0.00 0.00 56.30 55.72 3i04 h ASN 443 Cb 0.31 -0.11 -0.07 0.00 -1.06 0.00 0.00 38.32 37.39 3i04 h ASN 443 CO 0.02 0.53 -0.19 1.88 -1.06 0.00 0.00 177.43 178.61 3i04 h TYR 444 N 0.44 -0.50 -0.13 1.19 0.05 -1.64 -1.12 116.97 115.25 3i04 h TYR 444 Ca 0.09 0.04 -0.15 0.00 0.05 0.00 0.00 58.73 58.76 3i04 h TYR 444 Cb 0.35 0.26 -0.01 0.00 1.01 0.00 0.00 36.73 38.35 3i04 h TYR 444 CO 0.01 -0.27 -0.54 0.78 -1.05 0.00 0.00 178.16 177.09 3i04 h GLY 445 N -0.17 0.42 0.97 3.88 0.00 -1.39 -1.40 103.07 105.39 3i04 h GLY 445 Ca 0.15 -0.49 0.01 0.00 0.00 0.00 0.00 47.33 47.00 3i04 h GLY 445 CO -0.39 0.44 0.12 0.83 0.00 0.00 0.00 176.54 177.53 3i04 h GLU 446 N 0.30 0.24 -0.09 4.80 5.08 -0.83 0.10 114.58 124.18 3i04 h GLU 446 Ca 0.01 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 3i04 h GLU 446 Cb 1.05 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.19 3i04 h GLU 446 CO 0.09 0.16 -0.23 0.82 -1.00 0.00 0.00 179.01 178.85 3i04 h ILE 447 N 0.25 0.45 -0.02 3.13 2.04 -1.04 -1.25 117.51 121.06 3i04 h ILE 447 Ca 0.07 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.89 3i04 h ILE 447 Cb -0.01 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 3i04 h ILE 447 CO -0.03 0.00 -0.21 -0.07 0.00 0.00 0.00 178.15 177.84 3i04 h LEU 448 N -0.31 0.03 0.01 1.44 -0.00 -1.07 -0.66 115.31 114.75 3i04 h LEU 448 Ca 0.09 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.96 3i04 h LEU 448 Cb 0.44 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.09 3i04 h LEU 448 CO -0.27 0.25 -0.01 0.58 -0.00 0.00 0.00 178.44 179.00 3i04 h VAL 449 N 0.03 1.51 -0.71 1.22 2.07 -0.54 -2.80 116.25 117.04 3i04 h VAL 449 Ca 0.00 -1.65 -0.04 0.00 0.82 0.00 0.00 66.70 65.83 3i04 h VAL 449 Cb 0.40 2.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.75 3i04 h VAL 449 CO 0.03 0.42 0.28 0.00 0.02 0.00 0.00 177.57 178.32 3i04 h ALA 450 N 0.22 0.92 -0.17 1.67 0.00 -1.08 -3.04 119.26 117.78 3i04 h ALA 450 Ca -0.00 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 54.51 3i04 h ALA 450 Cb 0.70 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.22 3i04 h ALA 450 CO 0.00 0.55 -0.73 0.87 0.00 0.00 0.00 179.25 179.94 3i04 h LYS 451 N 1.01 0.77 0.27 0.00 1.79 -1.23 -1.92 116.57 117.27 3i04 h LYS 451 Ca 0.24 -0.60 -0.01 0.00 -2.18 0.00 0.00 60.65 58.09 3i04 h LYS 451 Cb 0.22 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 3i04 h LYS 451 CO -0.02 1.21 -0.13 0.52 -1.08 0.00 0.00 179.45 179.96 3i04 h MET 452 N 0.54 -0.35 -0.71 3.15 2.86 -1.53 -0.84 114.93 118.05 3i04 h MET 452 Ca -0.04 0.02 0.17 0.00 -2.06 0.00 0.00 59.70 57.79 3i04 h MET 452 Cb 1.35 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 33.05 3i04 h MET 452 CO 0.15 -0.16 0.49 0.87 1.06 0.00 0.00 176.91 179.32 3i04 h LYS 453 N -0.47 0.24 -0.01 1.72 1.57 -1.59 -2.01 116.57 116.03 3i04 h LYS 453 Ca -0.04 -0.01 -0.18 0.00 -1.87 0.00 0.00 60.65 58.55 3i04 h LYS 453 Cb 0.35 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.62 3i04 h LYS 453 CO 0.06 0.16 -0.70 1.49 -0.57 0.00 0.00 179.45 179.89 3i04 h GLU 454 N 0.25 0.48 0.00 3.15 4.81 -0.99 -3.26 114.58 119.02 3i04 h GLU 454 Ca 0.35 -0.51 -0.16 0.00 -0.13 0.00 0.00 59.36 58.91 3i04 h GLU 454 Cb 1.01 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 3i04 h GLU 454 CO -0.08 1.15 -0.75 0.93 -0.73 0.00 0.00 179.01 179.54 3i04 h GLU 455 N 0.02 0.00 -2.04 1.92 4.39 -0.89 -3.39 114.58 114.59 3i04 h GLU 455 Ca -0.09 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.09 3i04 h GLU 455 Cb 1.39 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 29.64 3i04 h GLU 455 CO 0.14 0.75 -1.07 1.19 -1.16 0.00 0.00 179.01 178.86 3i04 n PHE 456 N -3.30 0.66 -2.89 4.33 3.01 -0.78 -5.08 117.46 113.40 3i04 n PHE 456 Ca 0.01 -3.78 -0.41 0.00 1.01 0.00 0.00 57.45 54.28 3i04 n PHE 456 Cb 0.83 -0.41 -0.04 0.00 -0.01 0.00 0.00 39.48 39.85 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 -2.13 4.30 0.00 -1.08 0.04 -1.23 -2.15 135.00 132.75 3i04 s PRO 457 Ca 0.39 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.45 3i04 s PRO 457 Cb 0.27 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 31.24 3i04 s PRO 457 CO -0.09 -0.31 0.00 0.00 0.04 0.00 0.00 177.00 176.64 3i04 n ALA 458 N 5.16 0.00 0.05 8.56 0.00 -1.26 -4.87 120.51 128.15 3i04 n ALA 458 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.35 3i04 n ALA 458 Cb 0.49 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.80 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 1.23 -3.69 0.00 5.03 -1.88 -3.39 117.51 114.81 3i04 h ILE 459 Ca 0.00 -2.92 -0.75 0.00 -0.12 0.00 0.00 64.86 61.08 3i04 h ILE 459 Cb 0.00 2.73 -0.30 0.00 -3.03 0.00 0.00 36.82 36.21 3i04 h ILE 459 CO 0.00 0.80 -0.09 -0.69 -0.68 0.00 0.00 178.15 177.49 3i04 s VAL 460 N -2.63 4.79 -0.01 1.67 1.01 -0.91 -2.72 120.40 121.59 3i04 s VAL 460 Ca -0.06 -2.75 -0.13 0.00 0.00 0.00 0.00 61.98 59.03 3i04 s VAL 460 Cb 0.08 -4.01 -0.07 0.00 0.00 0.00 0.00 36.38 32.37 3i04 s VAL 460 CO 0.84 -0.97 0.75 0.44 0.00 0.00 0.00 175.10 176.16 3i04 h ASP 461 N 7.37 -0.41 -4.24 3.32 3.32 -1.70 -3.45 116.42 120.63 3i04 h ASP 461 Ca 0.06 0.01 -0.63 0.00 0.02 0.00 0.00 57.03 56.49 3i04 h ASP 461 Cb 0.99 0.11 -0.25 0.00 0.22 0.00 0.00 39.33 40.40 3i04 h ASP 461 CO 0.74 -0.15 -0.86 -0.13 -1.72 0.00 0.00 179.24 177.13 3i04 s ARG 462 N -3.31 1.51 0.04 3.56 3.00 -1.01 -5.05 118.95 117.69 3i04 s ARG 462 Ca -0.07 -1.07 0.06 0.00 0.00 0.00 0.00 55.73 54.66 3i04 s ARG 462 Cb 0.01 -1.70 -0.02 0.00 0.00 0.00 0.00 34.95 33.23 3i04 s ARG 462 CO 0.21 0.43 -0.18 0.08 0.00 0.00 0.00 175.30 175.84 3i04 s VAL 463 N -0.86 1.47 -0.11 3.52 1.01 -1.26 -3.12 120.40 121.04 3i04 s VAL 463 Ca 0.10 -1.09 -0.10 0.00 0.00 0.00 0.00 61.98 60.89 3i04 s VAL 463 Cb -0.09 -1.28 0.03 0.00 0.00 0.00 0.00 36.38 35.03 3i04 s VAL 463 CO 0.03 0.17 0.28 0.00 0.00 0.00 0.00 175.10 175.57 3i04 s GLN 464 N -1.08 0.33 0.01 2.72 -2.07 -0.67 -1.30 119.66 117.59 3i04 s GLN 464 Ca 0.06 0.40 0.06 0.00 -1.82 0.00 0.00 55.36 54.06 3i04 s GLN 464 Cb -0.08 0.15 -0.02 0.00 -1.09 0.00 0.00 33.01 31.97 3i04 s GLN 464 CO 0.01 -0.05 -0.19 0.08 -1.32 0.00 0.00 175.29 173.83 3i04 s VAL 465 N 0.21 1.50 -0.06 3.63 1.01 -0.89 0.29 120.40 126.09 3i04 s VAL 465 Ca -0.01 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.03 3i04 s VAL 465 Cb -0.02 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 35.10 3i04 s VAL 465 CO -0.00 0.31 -0.04 -0.89 0.00 0.00 0.00 175.10 174.49 3i04 s THR 466 N -0.59 0.57 -0.34 3.92 2.01 -0.26 -2.35 115.64 118.60 3i04 s THR 466 Ca 0.07 -0.08 -0.09 0.00 0.31 0.00 0.00 61.69 61.90 3i04 s THR 466 Cb -0.08 -0.63 0.02 0.00 0.01 0.00 0.00 72.50 71.81 3i04 s THR 466 CO 0.00 0.26 0.16 -0.63 -0.69 0.00 0.00 174.62 173.72 3i04 s ILE 467 N 1.37 4.40 -0.33 1.82 1.09 -0.15 -0.77 121.20 128.62 3i04 s ILE 467 Ca -0.04 -0.73 -0.17 0.00 -1.10 0.00 0.00 60.65 58.61 3i04 s ILE 467 Cb -0.13 -3.37 -0.01 0.00 -1.06 0.00 0.00 42.46 37.89 3i04 s ILE 467 CO -0.03 -0.09 0.48 -0.36 -0.10 0.00 0.00 174.94 174.84 3i04 s PHE 468 N 1.55 3.20 -0.17 3.97 0.40 -0.27 -1.37 117.98 125.29 3i04 s PHE 468 Ca 0.02 0.22 0.17 0.00 -0.60 0.00 0.00 56.93 56.74 3i04 s PHE 468 Cb -0.18 -2.83 0.47 0.00 0.51 0.00 0.00 43.02 40.99 3i04 s PHE 468 CO 0.05 -0.47 1.36 0.25 0.70 0.00 0.00 175.22 177.11 3i04 n THR 469 N 5.34 2.21 -3.92 0.64 -2.24 -0.46 -0.71 114.28 115.14 3i04 n THR 469 Ca -0.06 -2.03 -0.36 0.00 -2.27 0.00 0.00 64.05 59.33 3i04 n THR 469 Cb 0.49 -0.26 -0.13 0.00 -2.10 0.00 0.00 70.33 68.34 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 -2.21 4.90 0.37 3.42 2.15 -1.15 -4.36 116.67 119.78 3i04 s ASP 470 Ca 0.40 -0.22 0.13 0.00 0.43 0.00 0.00 52.55 53.28 3i04 s ASP 470 Cb 0.33 -1.86 0.71 0.00 -0.30 0.00 0.00 42.92 41.80 3i04 s ASP 470 CO 0.07 0.02 1.82 -0.08 -0.17 0.00 0.00 175.17 176.82 3i04 h GLU 471 N 7.85 0.00 -0.14 4.34 4.81 -1.93 0.27 114.58 129.78 3i04 h GLU 471 Ca -0.38 -0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 58.63 3i04 h GLU 471 Cb 1.17 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.56 3i04 h GLU 471 CO 0.60 0.38 -0.79 0.00 -0.73 0.00 0.00 179.01 178.47 3i04 h ALA 472 N 1.62 0.28 0.00 2.92 0.00 -1.99 -3.09 119.26 118.99 3i04 h ALA 472 Ca -0.00 -0.60 -0.13 0.00 0.00 0.00 0.00 54.91 54.17 3i04 h ALA 472 Cb 0.67 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3i04 h ALA 472 CO 0.05 0.66 -0.64 0.87 0.00 0.00 0.00 179.25 180.19 3i04 h LYS 473 N 0.50 0.00 0.04 0.00 1.79 -1.79 -1.27 116.57 115.85 3i04 h LYS 473 Ca -0.06 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.41 3i04 h LYS 473 Cb 1.42 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.07 3i04 h LYS 473 CO 0.16 0.64 -0.02 -0.24 -1.08 0.00 0.00 179.45 178.91 3i04 h VAL 474 N 0.00 1.19 -0.31 0.50 3.04 -0.58 -2.48 116.25 117.62 3i04 h VAL 474 Ca -0.01 -0.78 -0.13 0.00 -1.01 0.00 0.00 66.70 64.77 3i04 h VAL 474 Cb 1.18 1.71 -0.01 0.00 -2.01 0.00 0.00 31.29 32.16 3i04 h VAL 474 CO 0.08 0.20 -0.34 0.11 -1.01 0.00 0.00 177.57 176.61 3i04 h LYS 475 N -0.41 0.68 -0.37 4.17 1.57 -1.58 1.25 116.57 121.89 3i04 h LYS 475 Ca -0.01 -0.32 0.04 0.00 -1.87 0.00 0.00 60.65 58.50 3i04 h LYS 475 Cb 0.37 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 3i04 h LYS 475 CO 0.01 0.92 0.13 1.49 -0.57 0.00 0.00 179.45 181.42 3i04 h GLU 476 N 0.57 0.27 0.00 3.15 4.81 -1.31 -2.92 114.58 119.16 3i04 h GLU 476 Ca 0.06 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.15 3i04 h GLU 476 Cb 0.85 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 3i04 h GLU 476 CO 0.07 0.18 -0.94 1.88 -0.73 0.00 0.00 179.01 179.47 3i04 h TYR 477 N 0.28 0.00 -0.23 0.92 -1.99 -1.23 -3.22 116.97 111.50 3i04 h TYR 477 Ca 0.17 0.00 0.07 0.00 2.00 0.00 0.00 58.73 60.96 3i04 h TYR 477 Cb 0.14 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.87 3i04 h TYR 477 CO -0.14 0.52 0.18 1.98 -0.00 0.00 0.00 178.16 180.69 3i04 h MET 478 N 0.00 0.00 0.14 4.88 4.05 0.16 -1.70 114.93 122.46 3i04 h MET 478 Ca -0.08 0.00 -0.28 0.00 -0.28 0.00 0.00 59.70 59.06 3i04 h MET 478 Cb 1.46 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 32.27 3i04 h MET 478 CO 0.05 0.00 -1.25 1.49 0.23 0.00 0.00 176.91 177.43 3i04 h GLU 479 N 0.00 0.34 0.00 0.39 4.57 -1.52 0.77 114.58 119.13 3i04 h GLU 479 Ca 0.11 -0.55 -0.01 0.00 -1.18 0.00 0.00 59.36 57.73 3i04 h GLU 479 Cb 0.47 0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 29.26 3i04 h GLU 479 CO -0.00 1.25 -0.03 0.28 -1.18 0.00 0.00 179.01 179.33 3i04 h VAL 480 N 0.11 0.13 0.00 0.32 2.07 -1.36 -2.97 116.25 114.55 3i04 h VAL 480 Ca -0.15 -0.39 -0.39 0.00 0.82 0.00 0.00 66.70 66.59 3i04 h VAL 480 Cb 1.96 1.34 -0.06 0.00 -1.52 0.00 0.00 31.29 33.00 3i04 h VAL 480 CO 0.21 0.03 -2.40 0.00 0.02 0.00 0.00 177.57 175.44 3i04 n ALA 481 N -2.13 1.42 -0.16 1.67 0.00 -0.82 -4.23 120.51 116.27 3i04 n ALA 481 Ca -0.01 -1.03 -0.05 0.00 0.00 0.00 0.00 53.44 52.36 3i04 n ALA 481 Cb 0.23 0.03 0.05 0.00 0.00 0.00 0.00 19.45 19.76 3i04 n ALA 481 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3i04 h ARG 482 N -0.37 0.44 -0.46 0.00 2.43 -0.86 0.43 114.38 115.99 3i04 h ARG 482 Ca -0.59 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 58.49 3i04 h ARG 482 Cb 1.73 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 31.16 3i04 h ARG 482 CO -0.21 0.29 0.00 0.93 -1.51 0.00 0.00 179.97 179.48 3i04 h GLU 483 N 0.46 0.76 -0.69 0.20 3.07 -1.76 -2.95 114.58 113.67 3i04 h GLU 483 Ca 0.21 -0.20 -0.05 0.00 -0.50 0.00 0.00 59.36 58.83 3i04 h GLU 483 Cb 0.14 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 27.93 3i04 h GLU 483 CO -0.16 0.77 0.25 -0.22 -1.40 0.00 0.00 179.01 178.25 3i04 h LYS 484 N 0.72 1.06 -0.01 2.33 3.64 -1.35 0.33 116.57 123.28 3i04 h LYS 484 Ca 0.14 -0.21 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3i04 h LYS 484 Cb 0.44 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3i04 h LYS 484 CO 0.02 0.90 0.00 1.88 -2.27 0.00 0.00 179.45 179.98 3i04 h TYR 485 N 1.00 0.02 0.00 1.91 0.99 -0.08 0.71 116.97 121.51 3i04 h TYR 485 Ca 0.23 -0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.94 3i04 h TYR 485 Cb 0.26 -0.01 -0.00 0.00 1.00 0.00 0.00 36.73 37.98 3i04 h TYR 485 CO 0.02 0.19 -0.09 0.87 -0.00 0.00 0.00 178.16 179.15 3i04 h LYS 486 N -0.16 0.00 -0.36 4.88 1.79 -1.60 -2.79 116.57 118.33 3i04 h LYS 486 Ca 0.00 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.37 3i04 h LYS 486 Cb 0.18 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 3i04 h LYS 486 CO -0.00 0.09 -0.20 1.49 -1.08 0.00 0.00 179.45 179.75 3i04 h GLU 487 N 0.00 0.77 0.00 3.15 4.81 -0.84 -3.27 114.58 119.20 3i04 h GLU 487 Ca -0.00 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 3i04 h GLU 487 Cb 1.00 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.37 3i04 h GLU 487 CO 0.01 0.96 0.00 -0.09 -0.73 0.00 0.00 179.01 179.17 3i04 h ARG 488 N 0.55 0.00 -1.97 1.92 2.43 0.61 -3.08 114.38 114.84 3i04 h ARG 488 Ca 0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3i04 h ARG 488 Cb 0.75 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 3i04 h ARG 488 CO 0.06 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.27 3i04 n ASP 489 N -2.50 2.71 -0.12 -3.80 8.00 -1.07 -3.58 116.55 116.19 3i04 n ASP 489 Ca 0.02 -1.70 -0.21 0.00 0.71 0.00 0.00 54.79 53.61 3i04 n ASP 489 Cb 0.28 -0.57 -0.07 0.00 -0.02 0.00 0.00 41.12 40.74 3i04 n ASP 489 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3i04 n ASP 490 N 1.69 1.95 -0.01 -2.24 9.92 -1.16 -3.02 116.55 123.67 3i04 n ASP 490 Ca 0.00 0.34 0.01 0.00 -0.53 0.00 0.00 54.79 54.61 3i04 n ASP 490 Cb 0.26 -0.80 0.33 0.00 -0.64 0.00 0.00 41.12 40.27 3i04 n ASP 490 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 3i04 h ARG 491 N -1.00 0.54 0.00 -1.24 -0.00 -1.88 -0.91 114.38 109.89 3i04 h ARG 491 Ca -0.42 -0.09 -0.10 0.00 -0.50 0.00 0.00 59.98 58.87 3i04 h ARG 491 Cb 1.36 -0.09 -0.02 0.00 0.00 0.00 0.00 29.97 31.22 3i04 h ARG 491 CO -0.25 0.51 -0.57 0.52 0.00 0.00 0.00 179.97 180.17 3i04 h MET 492 N 0.53 0.00 -0.57 0.04 2.86 -1.79 -3.12 114.93 112.89 3i04 h MET 492 Ca 0.12 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 3i04 h MET 492 Cb 0.22 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 3i04 h MET 492 CO -0.00 0.44 0.29 -0.09 1.06 0.00 0.00 176.91 178.61 3i04 h ARG 493 N 0.00 0.80 -2.17 1.72 9.65 -1.26 -3.21 114.38 119.91 3i04 h ARG 493 Ca -0.02 -0.11 -0.73 0.00 -1.10 0.00 0.00 59.98 58.02 3i04 h ARG 493 Cb 1.38 -0.15 -0.32 0.00 -1.39 0.00 0.00 29.97 29.49 3i04 h ARG 493 CO 0.06 0.64 0.50 0.41 2.80 0.00 0.00 179.97 184.38 3i04 n GLY 494 N -0.97 5.91 2.70 2.80 0.00 -0.42 -4.95 105.19 110.25 3i04 n GLY 494 Ca 0.03 -2.63 -0.21 0.00 0.00 0.00 0.00 46.02 43.21 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 -4.03 0.02 0.39 0.99 1.98 -1.21 -4.92 118.68 111.91 3i04 s LEU 495 Ca 0.44 -0.56 0.04 0.00 -2.89 0.00 0.00 54.13 51.17 3i04 s LEU 495 Cb 0.27 0.21 -0.03 0.00 0.66 0.00 0.00 46.19 47.30 3i04 s LEU 495 CO -0.18 -0.36 0.14 0.42 -1.89 0.00 0.00 176.35 174.48 3i04 s THR 496 N 2.27 0.54 0.41 3.68 -4.23 -1.26 -4.94 115.64 112.12 3i04 s THR 496 Ca 0.07 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 58.79 3i04 s THR 496 Cb -0.15 -2.38 0.22 0.00 1.34 0.00 0.00 72.50 71.53 3i04 s THR 496 CO -0.20 0.00 2.00 0.44 -0.54 0.00 0.00 174.62 176.32 3i04 h ASP 497 N 1.85 0.00 -0.16 3.99 5.19 -1.93 -3.10 116.42 122.26 3i04 h ASP 497 Ca -0.34 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 55.99 3i04 h ASP 497 Cb 1.27 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.78 3i04 h ASP 497 CO 0.55 0.18 -0.19 -0.33 -3.12 0.00 0.00 179.24 176.33 3i04 h GLU 498 N 0.00 0.42 0.00 3.56 3.07 -2.01 -3.26 114.58 116.36 3i04 h GLU 498 Ca -0.00 -0.23 0.00 0.00 -0.50 0.00 0.00 59.36 58.62 3i04 h GLU 498 Cb 0.39 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 3i04 h GLU 498 CO 0.02 0.81 0.00 0.25 -1.40 0.00 0.00 179.01 178.69 3i04 n THR 499 N -4.48 0.72 -3.81 1.13 -2.24 -1.18 -4.82 114.28 99.60 3i04 n THR 499 Ca -0.06 -0.03 -0.31 0.00 -2.27 0.00 0.00 64.05 61.37 3i04 n THR 499 Cb 0.40 -0.88 -0.04 0.00 -2.10 0.00 0.00 70.33 67.71 3i04 n THR 499 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3i04 s VAL 500 N -3.22 5.29 -0.83 2.28 -7.23 -1.19 -4.96 120.40 110.54 3i04 s VAL 500 Ca 0.07 -0.20 0.10 0.00 -1.81 0.00 0.00 61.98 60.15 3i04 s VAL 500 Cb 0.11 -3.63 -0.02 0.00 0.56 0.00 0.00 36.38 33.40 3i04 s VAL 500 CO 0.50 0.10 0.59 -0.90 -0.31 0.00 0.00 175.10 175.08 3i04 n ASP 501 N 0.20 1.07 -4.37 4.85 5.75 -1.26 -4.97 116.55 117.83 3i04 n ASP 501 Ca -0.04 -1.04 -0.32 0.00 -0.01 0.00 0.00 54.79 53.38 3i04 n ASP 501 Cb 0.51 0.56 -0.15 0.00 -1.03 0.00 0.00 41.12 41.02 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 -1.45 2.55 0.35 2.12 2.01 -1.26 -0.87 115.64 119.08 3i04 s THR 502 Ca 0.07 -0.90 0.08 0.00 0.31 0.00 0.00 61.69 61.25 3i04 s THR 502 Cb 0.08 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.60 3i04 s THR 502 CO 0.28 0.57 0.29 -0.36 -0.69 0.00 0.00 174.62 174.71 3i04 s PHE 503 N -0.40 2.84 -0.03 4.92 2.99 0.16 -4.92 117.98 123.54 3i04 s PHE 503 Ca 0.04 -0.35 0.06 0.00 0.00 0.00 0.00 56.93 56.68 3i04 s PHE 503 Cb -0.12 -1.85 -0.01 0.00 0.00 0.00 0.00 43.02 41.04 3i04 s PHE 503 CO 0.02 0.15 -0.20 0.71 -0.00 0.00 0.00 175.22 175.89 3i04 s TYR 504 N -2.35 1.91 0.81 0.36 1.51 -1.10 0.22 117.35 118.70 3i04 s TYR 504 Ca 0.42 -0.47 -0.12 0.00 -1.01 0.00 0.00 57.07 55.89 3i04 s TYR 504 Cb -0.05 -1.25 0.08 0.00 -0.11 0.00 0.00 41.96 40.62 3i04 s TYR 504 CO 0.26 -0.12 1.10 -1.54 -1.11 0.00 0.00 175.55 174.15 3i04 s SER 505 N -0.23 4.41 -0.03 2.29 1.04 0.55 -1.07 113.70 120.66 3i04 s SER 505 Ca 0.01 1.23 -0.00 0.00 0.48 0.00 0.00 55.95 57.67 3i04 s SER 505 Cb -0.10 -1.94 0.03 0.00 0.10 0.00 0.00 66.02 64.11 3i04 s SER 505 CO 0.01 -2.01 0.03 0.00 0.98 0.00 0.00 173.24 172.25 3i04 n VAL 507 N 4.42 2.31 -0.21 0.00 0.24 -0.74 -1.02 118.33 123.33 3i04 n VAL 507 Ca -0.22 -3.02 -0.07 0.00 -2.04 0.00 0.00 64.34 58.99 3i04 n VAL 507 Cb 0.50 -0.27 0.03 0.00 -1.47 0.00 0.00 33.84 32.63 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 0.96 0.72 0.00 1.34 5.85 -1.91 -1.82 115.31 120.46 3i04 h LEU 508 Ca 0.07 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3i04 h LEU 508 Cb 1.22 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.07 3i04 h LEU 508 CO 0.13 0.59 0.00 0.00 -0.34 0.00 0.00 178.44 178.82 3i04 n GLN 510 N -1.08 0.35 0.24 0.00 6.02 -0.68 0.22 117.38 122.44 3i04 n GLN 510 Ca 0.11 0.08 0.10 0.00 -0.01 0.00 0.00 57.00 57.29 3i04 n GLN 510 Cb 0.08 -1.50 0.58 0.00 1.02 0.00 0.00 30.24 30.42 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 0.00 0.00 1.08 4.64 -1.76 -3.33 113.55 114.18 3i04 h SER 511 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i04 h SER 511 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3i04 h SER 511 CO 0.00 0.20 -0.59 0.49 -0.87 0.00 0.00 176.83 176.06 3i04 n PHE 512 N -3.60 0.00 -3.76 4.77 3.01 -0.67 -4.89 117.46 112.32 3i04 n PHE 512 Ca -0.01 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.17 3i04 n PHE 512 Cb 0.33 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.69 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 -1.26 2.97 0.53 4.37 0.00 0.13 -2.48 121.76 126.02 3i04 s ALA 513 Ca 0.00 -3.29 0.33 0.00 0.00 0.00 0.00 51.96 48.99 3i04 s ALA 513 Cb 0.00 -1.99 1.49 0.00 0.00 0.00 0.00 23.12 22.62 3i04 s ALA 513 CO 0.00 -2.06 1.86 -1.35 0.00 0.00 0.00 175.76 174.21 3i04 h PRO 514 N 5.72 0.02 -0.02 0.00 0.11 -1.80 0.59 132.00 136.62 3i04 h PRO 514 Ca 0.14 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3i04 h PRO 514 Cb 0.83 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 3i04 h PRO 514 CO 0.60 0.01 -0.02 0.09 -0.21 0.00 0.00 178.00 178.47 3i04 n ASN 515 N -4.25 2.07 -4.77 -2.05 3.02 -1.26 -4.85 115.26 103.17 3i04 n ASN 515 Ca 0.21 -1.53 -0.39 0.00 -0.03 0.00 0.00 54.58 52.84 3i04 n ASN 515 Cb 1.05 0.04 -0.02 0.00 -0.61 0.00 0.00 39.78 40.24 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 -1.17 3.02 -0.04 3.10 2.46 0.20 -4.22 115.29 118.65 3i04 s HIS 516 Ca 0.15 1.51 -0.01 0.00 0.47 0.00 0.00 55.06 57.18 3i04 s HIS 516 Cb 0.11 -3.49 0.03 0.00 -0.13 0.00 0.00 32.58 29.10 3i04 s HIS 516 CO 0.18 -1.54 0.07 0.08 -2.47 0.00 0.00 174.74 171.06 3i04 s VAL 517 N -1.33 -0.09 -0.06 0.89 1.01 -1.26 -4.63 120.40 114.92 3i04 s VAL 517 Ca 0.56 0.29 -0.11 0.00 0.00 0.00 0.00 61.98 62.72 3i04 s VAL 517 Cb -0.34 -0.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.85 3i04 s VAL 517 CO 0.43 0.12 0.27 0.00 0.00 0.00 0.00 175.10 175.92 3i04 s ILE 519 N -1.03 3.79 -0.23 0.00 -1.09 -1.26 -1.19 121.20 120.19 3i04 s ILE 519 Ca 0.19 -0.73 -0.07 0.00 -2.23 0.00 0.00 60.65 57.81 3i04 s ILE 519 Cb -0.14 -2.94 -0.03 0.00 -1.58 0.00 0.00 42.46 37.77 3i04 s ILE 519 CO 0.09 0.11 0.05 -0.69 -1.23 0.00 0.00 174.94 173.27 3i04 s VAL 520 N 1.47 4.32 0.21 2.92 1.01 -0.23 -4.86 120.40 125.25 3i04 s VAL 520 Ca 0.02 -0.18 0.11 0.00 0.00 0.00 0.00 61.98 61.94 3i04 s VAL 520 Cb -0.17 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 3i04 s VAL 520 CO 0.01 0.38 -0.22 0.42 0.00 0.00 0.00 175.10 175.69 3i04 s THR 521 N 1.26 2.46 0.54 3.92 -4.23 -0.76 -2.72 115.64 116.11 3i04 s THR 521 Ca 0.04 -2.08 0.40 0.00 -1.18 0.00 0.00 61.69 58.88 3i04 s THR 521 Cb -0.15 -2.21 0.60 0.00 1.34 0.00 0.00 72.50 72.08 3i04 s THR 521 CO 0.03 -0.18 1.74 -0.65 -0.54 0.00 0.00 174.62 175.02 3i04 h PRO 522 N 2.97 0.01 -0.38 3.99 0.11 -1.93 0.30 132.00 137.08 3i04 h PRO 522 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3i04 h PRO 522 Cb 1.22 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3i04 h PRO 522 CO 0.51 0.01 0.00 0.39 -0.21 0.00 0.00 178.00 178.70 3i04 n GLU 523 N -4.14 2.52 -3.47 1.05 1.02 -1.26 -4.77 120.64 111.59 3i04 n GLU 523 Ca 0.31 -2.07 -0.29 0.00 -0.02 0.00 0.00 57.16 55.10 3i04 n GLU 523 Cb 1.45 -1.34 -0.12 0.00 -0.02 0.00 0.00 31.44 31.41 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 -1.03 0.50 0.70 3.49 3.52 0.11 -4.53 118.95 121.70 3i04 s ARG 524 Ca 0.28 -1.20 -0.16 0.00 -0.13 0.00 0.00 55.73 54.52 3i04 s ARG 524 Cb 0.15 -1.26 -0.01 0.00 -1.56 0.00 0.00 34.95 32.27 3i04 s ARG 524 CO 0.20 -1.18 0.84 1.55 -0.81 0.00 0.00 175.30 175.89 3i04 n VAL 525 N 4.22 2.63 -1.31 7.11 3.14 -1.25 -1.83 118.33 131.03 3i04 n VAL 525 Ca 0.10 -0.40 -0.36 0.00 -2.96 0.00 0.00 64.34 60.72 3i04 n VAL 525 Cb 0.38 -1.00 0.08 0.00 -1.06 0.00 0.00 33.84 32.25 3i04 n VAL 525 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3i04 n GLY 526 N 1.28 -0.72 0.25 7.55 0.00 0.42 -4.66 105.19 109.31 3i04 n GLY 526 Ca 0.12 -0.36 0.14 0.00 0.00 0.00 0.00 46.02 45.92 3i04 n GLY 526 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 3i04 h LEU 527 N -0.33 0.00 -0.93 0.99 8.10 -1.88 -2.52 115.31 118.74 3i04 h LEU 527 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.52 3i04 h LEU 527 Cb 1.34 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.56 3i04 h LEU 527 CO 0.46 0.11 0.00 0.00 -4.11 0.00 0.00 178.44 174.89 3i04 n GLY 529 N 0.10 0.86 0.00 0.00 0.00 -0.95 -4.66 105.19 100.54 3i04 n GLY 529 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.10 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 0.27 3.04 -3.99 4.61 0.00 -1.26 -4.92 120.51 118.26 3i04 n ALA 530 Ca 0.00 -0.32 -0.33 0.00 0.00 0.00 0.00 53.44 52.79 3i04 n ALA 530 Cb 0.00 -0.44 -0.15 0.00 0.00 0.00 0.00 19.45 18.86 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 -2.51 2.33 0.52 0.00 1.01 -1.26 -5.03 120.40 115.45 3i04 s VAL 531 Ca 0.00 -1.56 0.04 0.00 0.00 0.00 0.00 61.98 60.46 3i04 s VAL 531 Cb 0.09 -2.35 0.03 0.00 0.00 0.00 0.00 36.38 34.15 3i04 s VAL 531 CO 0.51 -0.02 0.72 -0.94 0.00 0.00 0.00 175.10 175.37 3i04 s SER 532 N 1.14 5.34 0.25 3.32 1.04 -1.26 -0.43 113.70 123.09 3i04 s SER 532 Ca -0.08 -0.23 -0.04 0.00 0.48 0.00 0.00 55.95 56.09 3i04 s SER 532 Cb -0.20 -0.67 0.29 0.00 0.10 0.00 0.00 66.02 65.54 3i04 s SER 532 CO -0.05 -1.07 1.76 -0.25 0.98 0.00 0.00 173.24 174.62 3i04 h TRP 533 N 0.24 0.95 -0.60 5.02 7.01 -1.88 0.20 115.95 126.89 3i04 h TRP 533 Ca -0.40 -0.12 0.00 0.00 2.11 0.00 0.00 58.89 60.48 3i04 h TRP 533 Cb 1.29 -0.27 -0.03 0.00 -2.10 0.00 0.00 29.16 28.05 3i04 h TRP 533 CO 0.35 0.82 0.38 -0.07 -2.79 0.00 0.00 178.44 177.13 3i04 h LEU 534 N 0.86 0.71 -0.01 0.65 3.38 -1.95 0.25 115.31 119.19 3i04 h LEU 534 Ca 0.18 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 3i04 h LEU 534 Cb 0.39 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3i04 h LEU 534 CO 0.01 0.53 0.01 0.44 0.09 0.00 0.00 178.44 179.52 3i04 h ASP 535 N 0.82 0.01 0.02 -0.43 3.32 -1.81 -1.77 116.42 116.59 3i04 h ASP 535 Ca 0.22 -0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.16 3i04 h ASP 535 Cb -0.06 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 3i04 h ASP 535 CO -0.04 0.13 -0.11 0.00 -1.72 0.00 0.00 179.24 177.50 3i04 h ALA 536 N 0.88 -0.14 -0.13 3.45 0.00 -0.38 -0.57 119.26 122.38 3i04 h ALA 536 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3i04 h ALA 536 Cb 0.12 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 3i04 h ALA 536 CO -0.00 -0.61 -0.38 -0.22 0.00 0.00 0.00 179.25 178.04 3i04 h LYS 537 N -0.19 -0.44 -0.16 0.00 3.11 -0.51 -1.73 116.57 116.64 3i04 h LYS 537 Ca 0.03 0.03 0.05 0.00 -2.81 0.00 0.00 60.65 57.95 3i04 h LYS 537 Cb 0.23 0.10 -0.06 0.00 -1.00 0.00 0.00 32.23 31.51 3i04 h LYS 537 CO -0.09 -0.29 -0.19 0.00 -2.81 0.00 0.00 179.45 176.06 3i04 h ALA 538 N 0.24 -0.11 -0.40 5.00 0.00 -1.09 -2.16 119.26 120.74 3i04 h ALA 538 Ca 0.08 0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.16 3i04 h ALA 538 Cb 0.60 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3i04 h ALA 538 CO -0.38 -0.64 0.28 1.03 0.00 0.00 0.00 179.25 179.54 3i04 h SER 539 N -0.23 0.06 -0.06 0.00 0.87 -0.76 -1.37 113.55 112.06 3i04 h SER 539 Ca 0.11 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 3i04 h SER 539 Cb 0.39 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.34 3i04 h SER 539 CO -0.30 0.04 -0.04 0.22 -0.53 0.00 0.00 176.83 176.22 3i04 h TYR 540 N 0.07 0.16 0.00 2.24 3.20 -0.66 -1.08 116.97 120.89 3i04 h TYR 540 Ca 0.19 -0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.96 3i04 h TYR 540 Cb 0.67 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 3i04 h TYR 540 CO -0.00 0.55 -0.29 1.05 -1.64 0.00 0.00 178.16 177.83 3i04 h GLU 541 N -0.28 0.00 0.04 1.82 4.11 -1.06 -2.51 114.58 116.70 3i04 h GLU 541 Ca 0.01 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.16 3i04 h GLU 541 Cb 0.52 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 3i04 h GLU 541 CO 0.01 0.29 -1.51 -0.84 0.07 0.00 0.00 179.01 177.03 3i04 h ILE 542 N 0.00 1.12 -3.27 -1.06 3.07 -1.50 -3.42 117.51 112.45 3i04 h ILE 542 Ca -0.00 -2.88 -0.56 0.00 1.55 0.00 0.00 64.86 62.97 3i04 h ILE 542 Cb 0.87 2.62 -0.40 0.00 -0.27 0.00 0.00 36.82 39.64 3i04 h ILE 542 CO 0.04 0.72 -0.76 0.21 -1.05 0.00 0.00 178.15 177.30 3i04 s ASN 543 N -6.53 3.63 0.39 2.16 2.47 -0.41 -4.98 114.94 111.67 3i04 s ASN 543 Ca -0.06 -1.30 0.18 0.00 0.42 0.00 0.00 52.86 52.11 3i04 s ASN 543 Cb 0.08 -0.82 0.79 0.00 -1.45 0.00 0.00 41.25 39.85 3i04 s ASN 543 CO 0.83 -0.35 1.81 0.45 -3.72 0.00 0.00 177.10 176.11 3i04 h HIS 544 N 8.12 0.00 -0.64 0.43 3.86 -1.69 -2.95 115.15 122.28 3i04 h HIS 544 Ca -0.15 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 3i04 h HIS 544 Cb 1.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.53 3i04 h HIS 544 CO 0.35 0.35 0.00 0.00 0.86 0.00 0.00 177.93 179.50 3i04 n ALA 545 N -2.35 2.91 -1.84 2.45 0.00 -1.26 -5.00 120.51 115.41 3i04 n ALA 545 Ca -0.01 -1.43 -0.04 0.00 0.00 0.00 0.00 53.44 51.96 3i04 n ALA 545 Cb 0.44 -1.01 0.03 0.00 0.00 0.00 0.00 19.45 18.91 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 1.23 -0.03 0.18 0.00 0.00 -1.11 -4.98 105.19 100.48 3i04 n GLY 546 Ca 0.24 -1.85 0.14 0.00 0.00 0.00 0.00 46.02 44.55 3i04 n GLY 546 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i04 h PRO 547 N 0.00 0.00 -5.53 1.61 0.13 -1.91 -3.43 132.00 122.87 3i04 h PRO 547 Ca -0.06 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.42 3i04 h PRO 547 Cb 0.20 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.15 3i04 h PRO 547 CO 0.06 0.00 -0.63 -0.80 -0.23 0.00 0.00 178.00 176.40 3i04 s ASN 548 N -4.90 5.14 -0.01 1.44 -0.87 -1.26 -1.79 114.94 112.69 3i04 s ASN 548 Ca 0.04 0.01 -0.00 0.00 -1.57 0.00 0.00 52.86 51.35 3i04 s ASN 548 Cb 0.09 -1.72 0.02 0.00 -0.02 0.00 0.00 41.25 39.62 3i04 s ASN 548 CO 0.49 0.24 0.02 -1.58 -2.57 0.00 0.00 177.10 173.69 3i04 s GLN 549 N -0.07 -0.02 0.24 -0.60 2.00 -1.21 -4.42 119.66 115.57 3i04 s GLN 549 Ca 0.03 0.10 -0.30 0.00 -2.00 0.00 0.00 55.36 53.20 3i04 s GLN 549 Cb -0.13 -0.13 -0.09 0.00 0.80 0.00 0.00 33.01 33.46 3i04 s GLN 549 CO 0.02 -0.09 1.29 -1.25 -0.50 0.00 0.00 175.29 174.76 3i04 s PRO 550 N 0.57 4.40 -0.22 1.67 0.04 -1.26 -0.33 135.00 139.87 3i04 s PRO 550 Ca -0.05 2.07 0.01 0.00 0.04 0.00 0.00 61.00 63.07 3i04 s PRO 550 Cb -0.07 -3.16 0.03 0.00 0.04 0.00 0.00 34.50 31.34 3i04 s PRO 550 CO -0.02 -0.20 -0.14 0.42 0.04 0.00 0.00 177.00 177.10 3i04 s ILE 551 N -0.29 2.29 0.39 0.56 1.01 0.59 -4.88 121.20 120.87 3i04 s ILE 551 Ca 0.54 -1.12 -0.26 0.00 0.00 0.00 0.00 60.65 59.80 3i04 s ILE 551 Cb -0.37 -2.11 -0.09 0.00 0.01 0.00 0.00 42.46 39.90 3i04 s ILE 551 CO 0.42 0.32 1.29 -2.84 0.00 0.00 0.00 174.94 174.13 3i04 s PRO 552 N 1.25 4.04 -0.83 2.79 0.02 -1.26 0.37 135.00 141.38 3i04 s PRO 552 Ca 0.00 2.14 -0.02 0.00 0.02 0.00 0.00 61.00 63.15 3i04 s PRO 552 Cb -0.16 -2.80 0.35 0.00 0.02 0.00 0.00 34.50 31.91 3i04 s PRO 552 CO -0.09 -0.42 1.98 1.17 -0.33 0.00 0.00 177.00 179.31 3i04 n LYS 553 N 0.24 2.82 -4.75 5.54 4.81 -0.05 -4.42 118.16 122.35 3i04 n LYS 553 Ca 0.03 -3.58 -0.24 0.00 -0.87 0.00 0.00 58.31 53.64 3i04 n LYS 553 Cb 0.43 -2.27 -0.16 0.00 0.02 0.00 0.00 35.03 33.06 3i04 n LYS 553 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3i04 s GLU 554 N -4.06 1.45 0.00 1.64 2.02 -1.26 -4.68 118.70 113.81 3i04 s GLU 554 Ca 0.52 -0.56 0.00 0.00 0.02 0.00 0.00 54.97 54.95 3i04 s GLU 554 Cb 0.43 -1.33 0.00 0.00 0.10 0.00 0.00 34.13 33.33 3i04 s GLU 554 CO -0.40 0.28 0.00 0.41 0.02 0.00 0.00 175.26 175.57 3i04 n GLY 555 N 2.93 1.84 3.64 -1.39 0.00 -1.26 -3.03 105.19 107.92 3i04 n GLY 555 Ca -0.16 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.55 1.49 -0.06 1.61 2.13 -1.26 -0.94 120.64 123.05 3i04 n GLU 556 Ca 0.00 0.54 -0.06 0.00 0.66 0.00 0.00 57.16 58.30 3i04 n GLU 556 Cb 0.00 -2.24 -0.09 0.00 0.27 0.00 0.00 31.44 29.38 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 3.32 0.81 -3.15 6.31 5.41 0.32 -4.89 119.36 127.49 3i04 n ILE 557 Ca 0.20 -0.50 0.05 0.00 1.00 0.00 0.00 62.75 63.50 3i04 n ILE 557 Cb 0.21 -0.69 -0.02 0.00 -0.71 0.00 0.00 39.64 38.44 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 -4.45 -0.55 0.00 4.38 -1.08 -1.03 -4.96 116.67 108.99 3i04 s ASP 558 Ca -0.06 0.33 0.27 0.00 -0.52 0.00 0.00 52.55 52.57 3i04 s ASP 558 Cb 0.03 1.45 1.27 0.00 -1.46 0.00 0.00 42.92 44.22 3i04 s ASP 558 CO 0.48 -0.10 1.86 -0.81 0.52 0.00 0.00 175.17 177.12 3i04 n PRO 559 N 5.46 1.39 -0.05 4.34 -0.04 -1.26 -0.71 135.00 144.12 3i04 n PRO 559 Ca -0.06 -0.57 -0.01 0.00 -0.04 0.00 0.00 63.50 62.82 3i04 n PRO 559 Cb 0.54 -1.45 -0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 1.31 0.00 0.00 0.52 1.08 -1.97 -3.36 117.51 115.09 3i04 h ILE 560 Ca 0.00 -0.87 -0.01 0.00 -0.39 0.00 0.00 64.86 63.60 3i04 h ILE 560 Cb 0.28 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.03 3i04 h ILE 560 CO 0.00 0.00 -0.03 0.11 -0.69 0.00 0.00 178.15 177.54 3i04 h LYS 561 N -0.87 0.00 -3.54 2.37 1.57 -1.92 -3.35 116.57 110.84 3i04 h LYS 561 Ca 0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 3i04 h LYS 561 Cb 0.16 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.53 3i04 h LYS 561 CO 0.00 0.03 -0.28 0.41 -0.57 0.00 0.00 179.45 179.04 3i04 n GLY 562 N -0.20 0.18 3.62 3.86 0.00 -0.09 -1.75 105.19 110.81 3i04 n GLY 562 Ca -0.00 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.13 4.64 0.26 -0.61 1.01 0.11 -2.25 121.20 121.23 3i04 s ILE 563 Ca 0.08 -0.09 0.10 0.00 0.00 0.00 0.00 60.65 60.74 3i04 s ILE 563 Cb -0.01 -3.07 -0.05 0.00 0.01 0.00 0.00 42.46 39.34 3i04 s ILE 563 CO 0.25 0.48 -0.17 0.26 0.00 0.00 0.00 174.94 175.76 3i04 s TRP 564 N 0.26 2.12 -0.06 3.97 0.51 -1.26 -0.52 118.94 123.96 3i04 s TRP 564 Ca 0.03 -0.43 -0.23 0.00 -2.12 0.00 0.00 56.10 53.35 3i04 s TRP 564 Cb -0.13 -0.97 -0.29 0.00 -0.81 0.00 0.00 33.47 31.28 3i04 s TRP 564 CO 0.01 0.59 0.91 -0.22 -0.51 0.00 0.00 176.95 177.72 3i04 h LYS 565 N 2.34 0.25 -0.70 4.98 1.63 -1.23 -3.14 116.57 120.70 3i04 h LYS 565 Ca -0.40 -0.39 -0.05 0.00 -0.85 0.00 0.00 60.65 58.96 3i04 h LYS 565 Cb 1.25 0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 32.99 3i04 h LYS 565 CO 0.62 1.16 0.23 0.66 -3.45 0.00 0.00 179.45 178.67 3i04 h SER 566 N -0.46 0.99 0.51 4.20 4.64 -1.79 -1.16 113.55 120.48 3i04 h SER 566 Ca -0.10 -0.17 -0.03 0.00 -0.47 0.00 0.00 61.79 61.02 3i04 h SER 566 Cb 1.45 -0.26 0.01 0.00 -0.31 0.00 0.00 62.40 63.29 3i04 h SER 566 CO 0.12 0.91 -0.25 0.58 -0.87 0.00 0.00 176.83 177.32 3i04 h VAL 567 N 1.03 0.49 0.00 0.95 2.07 -1.77 -1.30 116.25 117.71 3i04 h VAL 567 Ca 0.23 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.70 3i04 h VAL 567 Cb 0.27 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3i04 h VAL 567 CO -0.01 0.01 -0.03 0.78 0.02 0.00 0.00 177.57 178.34 3i04 h ASN 568 N -0.72 0.00 0.00 0.57 4.21 -1.46 0.21 115.58 118.40 3i04 h ASN 568 Ca -0.07 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.44 3i04 h ASN 568 Cb 0.54 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.74 3i04 h ASN 568 CO 0.12 0.03 -0.00 0.44 -1.29 0.00 0.00 177.43 176.73 3i04 h ASP 569 N 0.00 -0.00 -0.08 5.81 5.19 -1.09 -2.93 116.42 123.32 3i04 h ASP 569 Ca -0.00 -0.94 0.04 0.00 -0.62 0.00 0.00 57.03 55.51 3i04 h ASP 569 Cb 0.22 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.68 3i04 h ASP 569 CO 0.00 0.97 -0.22 0.22 -3.12 0.00 0.00 179.24 177.09 3i04 h TYR 570 N -1.00 -0.58 -0.95 4.55 3.20 -0.95 -1.94 116.97 119.31 3i04 h TYR 570 Ca -0.00 0.02 0.24 0.00 3.14 0.00 0.00 58.73 62.13 3i04 h TYR 570 Cb 0.94 0.27 -0.07 0.00 1.54 0.00 0.00 36.73 39.41 3i04 h TYR 570 CO 0.26 -0.30 0.64 1.25 -1.64 0.00 0.00 178.16 178.37 3i04 h LEU 571 N -0.31 0.32 -0.34 2.82 5.85 -1.10 -1.95 115.31 120.60 3i04 h LEU 571 Ca 0.08 0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.71 3i04 h LEU 571 Cb 0.43 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3i04 h LEU 571 CO -0.25 0.11 -0.30 0.22 -0.34 0.00 0.00 178.44 177.87 3i04 h TYR 572 N 0.31 0.96 0.01 1.25 3.20 -1.15 -2.13 116.97 119.41 3i04 h TYR 572 Ca 0.50 -0.28 -0.13 0.00 3.14 0.00 0.00 58.73 61.95 3i04 h TYR 572 Cb 1.40 -0.20 0.01 0.00 1.54 0.00 0.00 36.73 39.48 3i04 h TYR 572 CO -0.00 1.06 -0.53 1.15 -1.64 0.00 0.00 178.16 178.19 3i04 h THR 573 N 0.58 1.47 0.00 1.81 2.02 -1.34 0.14 112.91 117.59 3i04 h THR 573 Ca 0.06 -2.09 0.00 0.00 0.77 0.00 0.00 66.41 65.15 3i04 h THR 573 Cb 0.88 2.70 0.00 0.00 -1.74 0.00 0.00 68.15 69.99 3i04 h THR 573 CO 0.08 0.60 0.00 0.00 0.37 0.00 0.00 175.52 176.56 3i04 h ALA 574 N 0.28 1.00 -0.56 6.16 0.00 -1.43 -1.38 119.26 123.34 3i04 h ALA 574 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3i04 h ALA 574 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3i04 h ALA 574 CO 0.10 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.22 3i04 n SER 575 N -2.42 4.02 -3.25 0.00 3.41 -0.80 -4.76 113.62 109.82 3i04 n SER 575 Ca 0.05 -2.34 -0.23 0.00 -0.26 0.00 0.00 58.87 56.09 3i04 n SER 575 Cb 0.45 -0.52 0.03 0.00 -0.26 0.00 0.00 64.21 63.90 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 0.96 -5.28 0.00 4.04 3.02 -0.52 -2.29 115.26 115.19 3i04 n ASN 576 Ca 0.22 -0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 3i04 n ASN 576 Cb 0.75 -4.27 0.00 0.00 -0.61 0.00 0.00 39.78 35.65 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 -4.07 0.00 0.07 3.52 1.74 0.50 -4.97 116.66 113.46 3i04 n ARG 577 Ca -0.06 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.04 3i04 n ARG 577 Cb 0.58 -2.31 -0.04 0.00 -1.02 0.00 0.00 32.46 29.68 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 -3.49 0.55 2.35 -1.65 -3.46 115.58 109.88 3i04 h ASN 578 Ca 0.00 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 55.28 3i04 h ASN 578 Cb 0.00 0.00 -0.33 0.00 0.05 0.00 0.00 38.32 38.04 3i04 h ASN 578 CO 0.00 0.47 -0.80 -0.76 -1.65 0.00 0.00 177.43 174.69 3i04 s LEU 579 N -5.93 1.58 -0.16 1.61 1.43 -1.26 -5.03 118.68 110.92 3i04 s LEU 579 Ca -0.00 -0.24 0.17 0.00 -1.03 0.00 0.00 54.13 53.03 3i04 s LEU 579 Cb 0.08 -0.69 -0.25 0.00 0.03 0.00 0.00 46.19 45.37 3i04 s LEU 579 CO 0.79 0.02 0.21 -0.62 0.23 0.00 0.00 176.35 176.97 3i04 n GLU 580 N 3.80 0.68 -3.75 1.70 1.02 -1.26 -3.50 120.64 119.32 3i04 n GLU 580 Ca -0.23 0.04 -0.13 0.00 -0.02 0.00 0.00 57.16 56.82 3i04 n GLU 580 Cb 0.52 -1.57 -0.13 0.00 -0.02 0.00 0.00 31.44 30.23 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 -2.57 0.19 -0.03 3.49 0.74 -1.26 -4.67 119.66 115.55 3i04 s GLN 581 Ca -0.09 0.43 0.04 0.00 0.05 0.00 0.00 55.36 55.79 3i04 s GLN 581 Cb 0.07 -0.08 -0.00 0.00 1.10 0.00 0.00 33.01 34.10 3i04 s GLN 581 CO 0.83 -0.13 -0.15 0.54 -0.55 0.00 0.00 175.29 175.84 3i04 s VAL 582 N 0.96 1.20 -0.27 1.34 0.11 -1.26 -4.80 120.40 117.67 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 -0.08 -1.03 -0.05 0.00 -1.53 0.00 0.00 36.38 33.69 3i04 s VAL 582 CO -0.06 0.35 0.16 0.00 -3.33 0.00 0.00 175.10 172.23 3i04 n LEU 584 N 5.03 0.00 0.00 0.00 4.77 -0.96 -3.66 117.00 122.18 3i04 n LEU 584 Ca -0.14 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 3i04 n LEU 584 Cb 0.52 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3i04 n LEU 584 CO 0.33 -0.08 0.36 -1.22 -1.33 0.00 0.00 177.39 175.45 3i04 n TYR 585 N -1.47 0.00 -5.02 -1.77 0.53 -0.72 -4.84 117.16 103.87 3i04 n TYR 585 Ca 0.07 -0.25 -0.28 0.00 -1.02 0.00 0.00 57.90 56.41 3i04 n TYR 585 Cb 0.28 -0.03 -0.16 0.00 -1.03 0.00 0.00 39.34 38.40 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 -0.51 1.67 0.06 -0.72 -1.32 -1.24 -1.72 115.64 111.86 3i04 s THR 586 Ca 0.00 -0.87 0.26 0.00 -1.21 0.00 0.00 61.69 59.87 3i04 s THR 586 Cb 0.00 -1.41 0.28 0.00 -1.51 0.00 0.00 72.50 69.86 3i04 s THR 586 CO 0.00 0.47 1.83 0.25 -2.21 0.00 0.00 174.62 174.96 3i04 h LEU 587 N 5.93 0.00 0.00 9.08 5.85 -1.91 -3.39 115.31 130.87 3i04 h LEU 587 Ca -0.35 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.37 3i04 h LEU 587 Cb 1.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.19 3i04 h LEU 587 CO 0.48 0.16 -0.86 0.23 -0.34 0.00 0.00 178.44 178.10 3i04 n MET 588 N -3.27 1.77 -3.67 1.25 2.81 -1.26 -1.33 117.12 113.42 3i04 n MET 588 Ca 0.01 -0.02 -0.19 0.00 -1.81 0.00 0.00 57.70 55.69 3i04 n MET 588 Cb 0.42 -1.24 -0.17 0.00 -0.71 0.00 0.00 33.22 31.52 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 -2.53 -0.05 -0.84 0.03 2.12 -1.26 -4.60 118.70 111.58 3i04 s GLU 589 Ca 0.04 0.43 -0.24 0.00 0.36 0.00 0.00 54.97 55.56 3i04 s GLU 589 Cb 0.11 -0.44 0.03 0.00 0.26 0.00 0.00 34.13 34.09 3i04 s GLU 589 CO 0.63 -0.32 0.45 0.09 -0.54 0.00 0.00 175.26 175.57 3i04 n ASN 590 N 5.30 -2.70 -4.64 -1.70 3.02 -1.26 -3.99 115.26 109.29 3i04 n ASN 590 Ca -0.04 -0.90 -0.33 0.00 -0.03 0.00 0.00 54.58 53.29 3i04 n ASN 590 Cb 0.50 -1.08 0.14 0.00 -0.61 0.00 0.00 39.78 38.73 3i04 n ASN 590 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3i04 n PRO 591 N -3.79 -0.13 -1.97 3.52 -0.04 -1.26 -0.78 135.00 130.55 3i04 n PRO 591 Ca -0.08 0.03 -0.39 0.00 -0.04 0.00 0.00 63.50 63.03 3i04 n PRO 591 Cb 0.39 -2.31 0.01 0.00 -0.04 0.00 0.00 33.50 31.54 3i04 n PRO 591 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 3i04 s MET 592 N -4.20 3.63 0.69 0.54 1.75 -1.26 -4.80 119.30 115.64 3i04 s MET 592 Ca 0.68 2.15 -0.03 0.00 -1.25 0.00 0.00 55.69 57.25 3i04 s MET 592 Cb -0.26 -2.52 0.09 0.00 2.84 0.00 0.00 34.83 34.98 3i04 s MET 592 CO 0.56 -0.77 0.96 0.95 -0.65 0.00 0.00 175.02 176.07 3i04 s THR 593 N -1.32 2.30 0.24 10.11 -4.23 -1.26 -4.71 115.64 116.77 3i04 s THR 593 Ca 0.63 -0.50 0.10 0.00 -1.18 0.00 0.00 61.69 60.74 3i04 s THR 593 Cb -0.38 -2.80 -0.05 0.00 1.34 0.00 0.00 72.50 70.61 3i04 s THR 593 CO 0.47 0.00 -0.18 -0.44 -0.54 0.00 0.00 174.62 173.93 3i04 s SER 594 N -4.61 3.12 0.00 3.99 0.01 -1.26 -4.90 113.70 110.05 3i04 s SER 594 Ca 0.63 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.88 3i04 s SER 594 Cb -0.08 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 65.93 3i04 s SER 594 CO 0.43 -0.05 0.00 0.00 0.41 0.00 0.00 173.24 174.03 3i04 n GLY 596 N 2.65 0.69 0.81 0.00 0.00 -1.26 -1.01 105.19 107.07 3i04 n GLY 596 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 0.87 2.52 0.09 0.00 1.16 -1.26 -4.47 117.46 116.37 3i04 n PHE 598 Ca 0.17 0.47 -0.06 0.00 -1.87 0.00 0.00 57.45 56.16 3i04 n PHE 598 Cb 0.47 -2.44 0.07 0.00 -1.61 0.00 0.00 39.48 35.97 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 2.38 0.20 -3.33 3.97 5.08 -1.36 -3.44 114.58 118.09 3i04 h GLU 599 Ca -0.49 -0.17 -0.13 0.00 -1.00 0.00 0.00 59.36 57.57 3i04 h GLU 599 Cb 1.27 0.04 -0.20 0.00 0.50 0.00 0.00 28.75 30.36 3i04 h GLU 599 CO 0.61 0.83 -0.39 0.00 -1.00 0.00 0.00 179.01 179.07 3i04 s ALA 600 N -3.52 -0.51 -0.09 3.43 0.00 -0.82 -1.24 121.76 119.00 3i04 s ALA 600 Ca -0.03 0.02 0.02 0.00 0.00 0.00 0.00 51.96 51.97 3i04 s ALA 600 Cb 0.11 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.38 3i04 s ALA 600 CO 0.81 -0.26 -0.16 0.42 0.00 0.00 0.00 175.76 176.57 3i04 s ILE 601 N -1.59 1.48 -0.11 0.00 1.01 0.67 -1.30 121.20 121.36 3i04 s ILE 601 Ca -0.13 -0.66 -0.14 0.00 0.00 0.00 0.00 60.65 59.72 3i04 s ILE 601 Cb -0.05 -1.34 -0.05 0.00 0.01 0.00 0.00 42.46 41.03 3i04 s ILE 601 CO 0.02 0.44 0.34 -0.04 0.00 0.00 0.00 174.94 175.70 3i04 s MET 602 N 0.77 4.13 -0.04 2.79 -1.94 -0.16 -1.16 119.30 123.70 3i04 s MET 602 Ca -0.11 0.22 0.00 0.00 -1.71 0.00 0.00 55.69 54.09 3i04 s MET 602 Cb -0.16 -3.36 0.03 0.00 2.01 0.00 0.00 34.83 33.35 3i04 s MET 602 CO 0.02 0.37 -0.01 0.00 -0.01 0.00 0.00 175.02 175.39 3i04 s ALA 603 N 0.02 0.47 0.33 3.03 0.00 -0.36 -1.68 121.76 123.57 3i04 s ALA 603 Ca 0.20 0.06 -0.29 0.00 0.00 0.00 0.00 51.96 51.93 3i04 s ALA 603 Cb -0.14 -0.43 -0.12 0.00 0.00 0.00 0.00 23.12 22.43 3i04 s ALA 603 CO 0.07 -0.14 1.42 1.51 0.00 0.00 0.00 175.76 178.62 3i04 n ILE 604 N 4.34 1.66 -3.86 0.00 0.13 0.32 -0.65 119.36 121.31 3i04 n ILE 604 Ca -0.22 -0.42 -0.29 0.00 -1.10 0.00 0.00 62.75 60.73 3i04 n ILE 604 Cb 0.50 -1.75 -0.13 0.00 -0.84 0.00 0.00 39.64 37.43 3i04 n ILE 604 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 3i04 s LEU 605 N -1.06 4.08 0.28 9.51 1.02 0.16 -4.82 118.68 127.85 3i04 s LEU 605 Ca 0.58 -3.29 0.00 0.00 0.02 0.00 0.00 54.13 51.45 3i04 s LEU 605 Cb -0.54 -1.47 0.65 0.00 0.02 0.00 0.00 46.19 44.86 3i04 s LEU 605 CO 0.58 -0.18 1.65 -0.65 0.02 0.00 0.00 176.35 177.78 3i04 h PRO 606 N 6.05 0.21 -0.57 1.29 0.11 -1.93 -1.30 132.00 135.86 3i04 h PRO 606 Ca 0.04 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.23 3i04 h PRO 606 Cb 0.84 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.87 3i04 h PRO 606 CO 0.65 0.14 0.38 0.93 -0.21 0.00 0.00 178.00 179.89 3i04 h GLU 607 N 0.22 0.37 -0.31 1.05 5.08 -1.94 -1.61 114.58 117.43 3i04 h GLU 607 Ca 0.52 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.86 3i04 h GLU 607 Cb 1.02 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.19 3i04 h GLU 607 CO -0.63 0.25 0.00 0.00 -1.00 0.00 0.00 179.01 177.63 3i04 n ASN 609 N 1.40 -3.01 0.00 0.00 5.15 -0.61 -4.24 115.26 113.95 3i04 n ASN 609 Ca 0.18 -0.72 0.00 0.00 -0.60 0.00 0.00 54.58 53.44 3i04 n ASN 609 Cb 0.59 -4.45 0.00 0.00 -0.53 0.00 0.00 39.78 35.39 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 -1.57 1.82 3.03 8.20 0.00 -1.04 -4.63 105.19 110.99 3i04 n GLY 610 Ca -0.17 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.81 0.09 0.12 -0.61 -5.25 0.36 0.41 121.20 115.51 3i04 s ILE 611 Ca 0.00 -0.74 0.05 0.00 -0.99 0.00 0.00 60.65 58.96 3i04 s ILE 611 Cb 0.00 -0.31 -0.04 0.00 2.95 0.00 0.00 42.46 45.06 3i04 s ILE 611 CO 0.00 -0.41 0.06 0.00 -1.79 0.00 0.00 174.94 172.80 3i04 s MET 612 N -1.30 2.71 -0.04 0.37 0.23 0.18 -1.07 119.30 120.38 3i04 s MET 612 Ca -0.14 -0.85 0.07 0.00 -1.03 0.00 0.00 55.69 53.74 3i04 s MET 612 Cb -0.08 -2.59 -0.01 0.00 -1.53 0.00 0.00 34.83 30.61 3i04 s MET 612 CO 0.00 0.52 -0.25 0.42 -2.03 0.00 0.00 175.02 173.68 3i04 s ILE 613 N -1.52 2.03 0.19 3.16 1.01 -0.29 -1.22 121.20 124.57 3i04 s ILE 613 Ca 0.28 -1.08 0.03 0.00 0.00 0.00 0.00 60.65 59.89 3i04 s ILE 613 Cb -0.11 -1.70 -0.05 0.00 0.01 0.00 0.00 42.46 40.61 3i04 s ILE 613 CO 0.21 0.57 -0.02 0.28 0.00 0.00 0.00 174.94 175.98 3i04 s THR 614 N -0.36 0.92 0.21 2.92 -1.32 -0.31 -3.95 115.64 113.76 3i04 s THR 614 Ca 0.03 -2.02 0.07 0.00 -1.21 0.00 0.00 61.69 58.56 3i04 s THR 614 Cb -0.12 -2.17 -0.05 0.00 -1.51 0.00 0.00 72.50 68.65 3i04 s THR 614 CO 0.02 -0.46 -0.12 0.42 -2.21 0.00 0.00 174.62 172.26 3i04 s THR 615 N -3.49 1.66 0.32 5.08 -4.23 -1.26 -0.24 115.64 113.48 3i04 s THR 615 Ca 0.25 -2.18 0.04 0.00 -1.18 0.00 0.00 61.69 58.61 3i04 s THR 615 Cb 0.05 -2.09 0.30 0.00 1.34 0.00 0.00 72.50 72.09 3i04 s THR 615 CO 0.05 -0.56 1.89 -0.09 -0.54 0.00 0.00 174.62 175.37 3i04 h ARG 616 N 2.53 0.85 0.00 3.99 2.43 -1.46 -1.24 114.38 121.49 3i04 h ARG 616 Ca -0.38 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 3i04 h ARG 616 Cb 1.22 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 3i04 h ARG 616 CO 0.63 0.56 0.00 -0.25 -1.51 0.00 0.00 179.97 179.40 3i04 n ASP 617 N -4.54 0.47 -4.55 -3.80 8.00 -1.26 -4.68 116.55 106.19 3i04 n ASP 617 Ca 0.16 0.55 -0.43 0.00 0.71 0.00 0.00 54.79 55.78 3i04 n ASP 617 Cb 0.33 -0.67 -0.05 0.00 -0.02 0.00 0.00 41.12 40.70 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 -3.07 2.97 -0.73 1.24 2.46 -0.47 -4.92 115.29 112.77 3i04 s HIS 618 Ca 0.11 0.28 0.25 0.00 0.47 0.00 0.00 55.06 56.17 3i04 s HIS 618 Cb 0.14 -3.77 0.48 0.00 -0.13 0.00 0.00 32.58 29.31 3i04 s HIS 618 CO 0.54 -1.02 1.43 0.00 -2.47 0.00 0.00 174.74 173.23 3i04 n ALA 619 N 6.88 2.89 -1.82 1.58 0.00 -1.26 -4.33 120.51 124.45 3i04 n ALA 619 Ca 0.04 -0.22 -0.30 0.00 0.00 0.00 0.00 53.44 52.95 3i04 n ALA 619 Cb 0.48 -1.22 0.05 0.00 0.00 0.00 0.00 19.45 18.76 3i04 n ALA 619 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3i04 s GLY 620 N -3.51 1.63 0.47 0.00 0.00 -1.26 -4.72 107.32 99.92 3i04 s GLY 620 Ca 0.08 -0.30 -0.24 0.00 0.00 0.00 0.00 44.72 44.26 3i04 s GLY 620 CO 0.69 0.07 1.24 -0.13 0.00 0.00 0.00 173.10 174.97 3i04 n MET 621 N -3.08 1.74 -4.32 2.90 1.56 -1.26 -4.31 117.12 110.35 3i04 n MET 621 Ca 0.07 0.63 -0.25 0.00 -0.27 0.00 0.00 57.70 57.87 3i04 n MET 621 Cb 0.57 -2.38 -0.09 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 -1.26 3.13 -0.77 1.12 -4.23 -1.20 -4.79 115.64 107.65 3i04 s THR 622 Ca 0.65 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 59.29 3i04 s THR 622 Cb -0.48 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 70.76 3i04 s THR 622 CO 0.55 -0.24 0.78 -0.81 -0.54 0.00 0.00 174.62 174.36 3i04 n PRO 623 N -0.34 0.00 0.02 3.99 -0.04 0.70 -0.15 135.00 139.17 3i04 n PRO 623 Ca -0.09 0.30 0.12 0.00 -0.04 0.00 0.00 63.50 63.79 3i04 n PRO 623 Cb 0.57 -1.64 0.51 0.00 -0.04 0.00 0.00 33.50 32.90 3i04 n PRO 623 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3i04 n SER 624 N -1.28 0.13 0.00 3.54 3.41 -1.26 -4.25 113.62 113.91 3i04 n SER 624 Ca 0.00 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 3i04 n SER 624 Cb 0.14 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 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 1.02 0.49 2.92 5.00 0.00 0.79 -5.06 105.19 110.34 3i04 n GLY 625 Ca 0.06 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.73 0.10 1.18 1.61 -1.94 -1.24 -4.91 119.30 113.36 3i04 s MET 626 Ca 0.00 -0.06 -0.16 0.00 -1.71 0.00 0.00 55.69 53.75 3i04 s MET 626 Cb 0.00 0.04 0.27 0.00 2.01 0.00 0.00 34.83 37.15 3i04 s MET 626 CO 0.00 -0.02 1.06 0.95 -0.01 0.00 0.00 175.02 177.00 3i04 s THR 627 N -0.25 1.74 0.19 2.05 -4.23 -1.26 -3.21 115.64 110.66 3i04 s THR 627 Ca -0.03 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.35 3i04 s THR 627 Cb -0.02 -2.33 0.13 0.00 1.34 0.00 0.00 72.50 71.62 3i04 s THR 627 CO -0.00 0.00 1.68 0.15 -0.54 0.00 0.00 174.62 175.91 3i04 h PHE 628 N -2.55 -0.03 -0.73 3.99 3.57 -1.75 -1.79 116.94 117.65 3i04 h PHE 628 Ca -0.51 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 60.99 3i04 h PHE 628 Cb 1.32 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 40.12 3i04 h PHE 628 CO -1.11 -0.11 0.34 0.77 -2.23 0.00 0.00 178.31 175.97 3i04 h SER 629 N 0.12 0.96 -0.30 0.41 0.02 -1.92 0.42 113.55 113.27 3i04 h SER 629 Ca 0.25 -0.14 -0.14 0.00 -0.84 0.00 0.00 61.79 60.92 3i04 h SER 629 Cb 0.38 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 3i04 h SER 629 CO -0.41 0.83 -0.36 0.74 -1.14 0.00 0.00 176.83 176.49 3i04 h THR 630 N 1.03 1.29 -0.28 -2.27 2.02 -1.88 -0.11 112.91 112.70 3i04 h THR 630 Ca 0.25 -1.54 0.04 0.00 0.77 0.00 0.00 66.41 65.93 3i04 h THR 630 Cb 0.13 1.59 -0.04 0.00 -1.74 0.00 0.00 68.15 68.09 3i04 h THR 630 CO -0.03 0.50 0.07 0.25 0.37 0.00 0.00 175.52 176.67 3i04 h LEU 631 N 0.52 0.04 -1.06 2.58 7.12 -1.06 -2.15 115.31 121.29 3i04 h LEU 631 Ca 0.04 0.04 0.05 0.00 0.13 0.00 0.00 57.88 58.14 3i04 h LEU 631 Cb 0.94 0.05 -0.06 0.00 -0.53 0.00 0.00 40.66 41.06 3i04 h LEU 631 CO 0.09 0.06 0.63 0.00 -0.13 0.00 0.00 178.44 179.08 3i04 h ALA 632 N 1.20 1.42 -0.95 1.25 0.00 0.17 -1.13 119.26 121.22 3i04 h ALA 632 Ca 0.13 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3i04 h ALA 632 Cb 0.13 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 3i04 h ALA 632 CO -0.16 0.45 0.63 0.78 0.00 0.00 0.00 179.25 180.95 3i04 h GLY 633 N 1.16 1.34 0.87 0.00 0.00 -0.41 -2.24 103.07 103.79 3i04 h GLY 633 Ca 0.40 -0.50 -0.06 0.00 0.00 0.00 0.00 47.33 47.17 3i04 h GLY 633 CO -0.15 0.48 -0.08 1.98 0.00 0.00 0.00 176.54 178.78 3i04 h MET 634 N 1.28 0.54 0.00 4.80 -1.53 -0.66 -3.36 114.93 116.00 3i04 h MET 634 Ca 0.35 -0.21 0.00 0.00 -3.44 0.00 0.00 59.70 56.40 3i04 h MET 634 Cb -0.13 -0.03 0.00 0.00 -0.55 0.00 0.00 31.60 30.89 3i04 h MET 634 CO -0.08 0.75 -0.80 0.44 0.14 0.00 0.00 176.91 177.37 3i04 n ILE 635 N -4.50 0.03 -2.48 1.77 -5.35 -0.81 -4.86 119.36 103.16 3i04 n ILE 635 Ca -0.03 -0.05 -0.23 0.00 -0.27 0.00 0.00 62.75 62.17 3i04 n ILE 635 Cb 0.32 0.53 0.07 0.00 -1.74 0.00 0.00 39.64 38.82 3i04 n ILE 635 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3i04 s GLY 636 N -3.13 1.77 -1.62 3.28 0.00 -0.85 -4.03 107.32 102.74 3i04 s GLY 636 Ca 0.08 -1.33 0.00 0.00 0.00 0.00 0.00 44.72 43.47 3i04 s GLY 636 CO 0.78 -0.91 0.00 0.61 0.00 0.00 0.00 173.10 173.58 3i04 n GLY 637 N -2.70 1.40 0.00 0.20 0.00 -0.18 -3.79 105.19 100.12 3i04 n GLY 637 Ca 0.10 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.06 2.49 3.68 -0.02 0.00 -1.09 -4.45 105.19 104.74 3i04 n GLY 638 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.31 2.75 -0.17 2.61 -4.23 -1.25 -4.88 115.64 108.16 3i04 s THR 639 Ca 0.00 0.02 -0.26 0.00 -1.18 0.00 0.00 61.69 60.27 3i04 s THR 639 Cb 0.00 -3.01 -0.01 0.00 1.34 0.00 0.00 72.50 70.81 3i04 s THR 639 CO 0.00 -0.00 0.85 -1.58 -0.54 0.00 0.00 174.62 173.35 3i04 s GLN 640 N 3.57 4.30 -0.51 3.99 0.74 -1.26 -4.75 119.66 125.74 3i04 s GLN 640 Ca 0.85 1.05 0.05 0.00 0.05 0.00 0.00 55.36 57.36 3i04 s GLN 640 Cb -0.45 -3.58 0.18 0.00 1.10 0.00 0.00 33.01 30.27 3i04 s GLN 640 CO 0.39 -0.35 0.42 0.25 -0.55 0.00 0.00 175.29 175.45 3i04 n THR 641 N 4.77 -0.16 -1.60 -0.34 -2.24 -1.26 -5.09 114.28 108.35 3i04 n THR 641 Ca 0.05 -3.98 -0.52 0.00 -2.27 0.00 0.00 64.05 57.33 3i04 n THR 641 Cb 0.49 -1.86 -0.06 0.00 -2.10 0.00 0.00 70.33 66.80 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 2.37 1.23 0.00 -0.78 -0.02 -1.26 -0.66 135.00 135.87 3i04 n PRO 642 Ca 0.26 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3i04 n PRO 642 Cb 0.44 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 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 2.64 1.05 2.83 -1.23 0.00 -0.44 -4.99 105.19 105.05 3i04 n GLY 643 Ca 0.19 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.31 0.45 -0.15 1.61 0.40 0.16 -0.52 117.98 117.62 3i04 s PHE 644 Ca 0.00 -0.06 -0.11 0.00 -0.60 0.00 0.00 56.93 56.16 3i04 s PHE 644 Cb 0.00 -0.50 0.05 0.00 0.51 0.00 0.00 43.02 43.07 3i04 s PHE 644 CO 0.00 -0.16 0.38 1.41 0.70 0.00 0.00 175.22 177.55 3i04 s MET 645 N 1.07 0.41 0.04 0.44 1.75 -0.68 -4.57 119.30 117.76 3i04 s MET 645 Ca -0.09 0.62 -0.28 0.00 -1.25 0.00 0.00 55.69 54.70 3i04 s MET 645 Cb -0.14 0.11 -0.05 0.00 2.84 0.00 0.00 34.83 37.60 3i04 s MET 645 CO -0.01 -0.10 0.88 0.20 -0.65 0.00 0.00 175.02 175.34 3i04 s GLY 646 N 0.70 2.87 0.06 2.11 0.00 -1.26 -0.99 107.32 110.81 3i04 s GLY 646 Ca -0.04 0.43 -0.05 0.00 0.00 0.00 0.00 44.72 45.06 3i04 s GLY 646 CO -0.05 1.39 0.08 -0.26 0.00 0.00 0.00 173.10 174.26 3i04 s ILE 647 N 0.38 0.17 0.37 0.90 -4.36 -0.42 -4.84 121.20 113.40 3i04 s ILE 647 Ca 0.45 -1.42 -0.25 0.00 -0.26 0.00 0.00 60.65 59.17 3i04 s ILE 647 Cb -0.21 -1.32 -0.09 0.00 1.25 0.00 0.00 42.46 42.09 3i04 s ILE 647 CO 0.26 -0.78 1.06 -0.83 0.24 0.00 0.00 174.94 174.88 3i04 s GLY 648 N -2.73 2.83 0.57 6.27 0.00 -1.11 -1.94 107.32 111.19 3i04 s GLY 648 Ca 0.04 0.74 0.27 0.00 0.00 0.00 0.00 44.72 45.77 3i04 s GLY 648 CO -0.09 1.22 2.04 3.21 0.00 0.00 0.00 173.10 179.48 3i04 h ARG 649 N 2.86 0.00 -0.58 2.90 3.08 -1.91 -2.27 114.38 118.47 3i04 h ARG 649 Ca -0.48 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.51 3i04 h ARG 649 Cb 1.21 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.24 3i04 h ARG 649 CO 0.64 0.00 0.10 1.15 -1.07 0.00 0.00 179.97 180.78 3i04 h THR 650 N 0.00 1.24 -0.74 2.04 2.02 -1.96 -2.57 112.91 112.94 3i04 h THR 650 Ca 0.15 -0.94 0.21 0.00 0.77 0.00 0.00 66.41 66.60 3i04 h THR 650 Cb 0.70 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 3i04 h THR 650 CO -0.00 0.35 0.63 0.22 0.37 0.00 0.00 175.52 177.08 3i04 h TYR 651 N 0.87 0.00 -0.21 3.16 3.20 -1.75 -2.19 116.97 120.05 3i04 h TYR 651 Ca 0.18 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 3i04 h TYR 651 Cb 0.38 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 3i04 h TYR 651 CO 0.02 0.00 0.00 0.82 -1.64 0.00 0.00 178.16 177.37 3i04 h ILE 652 N 0.00 1.13 -0.67 1.81 2.04 -1.61 -1.98 117.51 118.22 3i04 h ILE 652 Ca 0.35 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.70 3i04 h ILE 652 Cb 1.60 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.66 3i04 h ILE 652 CO -0.00 0.17 0.00 1.33 0.00 0.00 0.00 178.15 179.65 3i04 n VAL 653 N -4.37 1.69 -2.97 1.67 0.24 -0.82 -4.88 118.33 108.88 3i04 n VAL 653 Ca 0.00 -1.16 -0.33 0.00 -2.04 0.00 0.00 64.34 60.81 3i04 n VAL 653 Cb 0.19 0.20 -0.07 0.00 -1.47 0.00 0.00 33.84 32.69 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 -0.93 6.88 0.37 -1.34 0.15 -0.75 -4.98 113.70 113.11 3i04 s SER 654 Ca 0.51 1.50 0.07 0.00 0.70 0.00 0.00 55.95 58.73 3i04 s SER 654 Cb 0.32 -2.46 0.72 0.00 -1.71 0.00 0.00 66.02 62.89 3i04 s SER 654 CO 0.27 -0.27 1.94 0.11 1.20 0.00 0.00 173.24 176.48 3i04 h LYS 655 N 2.14 0.45 -0.30 5.44 1.79 -1.87 -2.68 116.57 121.53 3i04 h LYS 655 Ca -0.48 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 57.91 3i04 h LYS 655 Cb 1.18 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 3i04 h LYS 655 CO 0.63 0.45 0.00 1.63 -1.08 0.00 0.00 179.45 181.08 3i04 n LYS 656 N -4.33 1.84 -1.56 3.15 4.76 -1.26 -4.80 118.16 115.95 3i04 n LYS 656 Ca 0.01 -1.28 -0.43 0.00 -2.87 0.00 0.00 58.31 53.74 3i04 n LYS 656 Cb 0.20 -1.34 -0.04 0.00 -1.84 0.00 0.00 35.03 32.01 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 0.52 1.77 -3.91 2.13 -0.00 -1.01 -2.49 117.46 114.47 3i04 n PHE 657 Ca 0.14 -0.00 -0.23 0.00 -0.00 0.00 0.00 57.45 57.36 3i04 n PHE 657 Cb 0.33 -2.67 0.01 0.00 -0.00 0.00 0.00 39.48 37.15 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 7.71 -1.27 0.10 -2.13 -5.35 -1.26 -3.78 119.36 113.38 3i04 n ILE 658 Ca 0.34 -0.29 -0.05 0.00 -0.27 0.00 0.00 62.75 62.49 3i04 n ILE 658 Cb 0.42 -1.08 0.09 0.00 -1.74 0.00 0.00 39.64 37.33 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 0.29 0.16 0.30 7.28 4.64 -1.02 -1.28 113.55 123.91 3i04 h SER 659 Ca -0.35 -0.10 -0.04 0.00 -0.47 0.00 0.00 61.79 60.82 3i04 h SER 659 Cb 0.69 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 3i04 h SER 659 CO 0.25 0.80 -0.21 0.00 -0.87 0.00 0.00 176.83 176.80 3i04 h ALA 660 N 1.20 1.48 -0.00 5.18 0.00 -1.62 -3.18 119.26 122.31 3i04 h ALA 660 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3i04 h ALA 660 Cb 1.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3i04 h ALA 660 CO 0.10 0.27 -0.51 -0.25 0.00 0.00 0.00 179.25 178.86 3i04 n ASP 661 N -4.04 0.95 0.00 0.00 8.00 -0.84 -4.95 116.55 115.67 3i04 n ASP 661 Ca -0.02 -0.74 0.00 0.00 0.71 0.00 0.00 54.79 54.74 3i04 n ASP 661 Cb 0.29 0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.76 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 1.44 1.20 7.00 0.44 0.00 -1.05 -4.96 105.19 109.26 3i04 n GLY 662 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.58 0.77 0.30 -0.02 0.00 -0.54 -3.84 105.19 101.28 3i04 n GLY 663 Ca 0.00 -0.72 0.18 0.00 0.00 0.00 0.00 46.02 45.48 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 0.18 0.00 -0.61 3.07 -1.90 -2.23 117.51 116.03 3i04 h ILE 664 Ca 0.00 -0.29 0.00 0.00 1.55 0.00 0.00 64.86 66.12 3i04 h ILE 664 Cb 0.00 1.23 0.00 0.00 -0.27 0.00 0.00 36.82 37.78 3i04 h ILE 664 CO 0.00 0.03 0.00 0.00 -1.05 0.00 0.00 178.15 177.13 3i04 h ALA 665 N 1.97 1.00 0.00 0.16 0.00 -1.99 -2.30 119.26 118.10 3i04 h ALA 665 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3i04 h ALA 665 Cb 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3i04 h ALA 665 CO 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 179.25 179.22 3i04 h ARG 666 N 0.00 0.00 -6.35 0.00 2.47 -1.58 -3.23 114.38 105.68 3i04 h ARG 666 Ca 0.00 0.00 -0.57 0.00 -1.26 0.00 0.00 59.98 58.15 3i04 h ARG 666 Cb 0.19 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.47 3i04 h ARG 666 CO 0.00 0.03 1.17 0.42 0.56 0.00 0.00 179.97 182.16 3i04 s ILE 667 N -3.27 3.67 -0.50 2.04 1.01 -0.87 -0.49 121.20 122.80 3i04 s ILE 667 Ca 0.06 0.70 0.16 0.00 0.00 0.00 0.00 60.65 61.57 3i04 s ILE 667 Cb 0.06 -3.83 -0.20 0.00 0.01 0.00 0.00 42.46 38.50 3i04 s ILE 667 CO 0.66 -0.48 0.56 1.33 0.00 0.00 0.00 174.94 177.01 3i04 n VAL 668 N 7.05 0.00 -3.69 2.92 0.24 -0.23 -4.76 118.33 119.86 3i04 n VAL 668 Ca 0.20 -0.21 -0.12 0.00 -2.04 0.00 0.00 64.34 62.16 3i04 n VAL 668 Cb 0.47 0.71 -0.09 0.00 -1.47 0.00 0.00 33.84 33.45 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 -2.70 -0.64 -0.06 6.34 -0.00 -1.24 -1.15 118.94 119.49 3i04 s TRP 669 Ca 0.02 1.48 -0.21 0.00 -0.00 0.00 0.00 56.10 57.40 3i04 s TRP 669 Cb 0.11 0.26 0.04 0.00 -0.00 0.00 0.00 33.47 33.88 3i04 s TRP 669 CO 0.65 -0.32 0.47 -1.64 -0.00 0.00 0.00 176.95 176.12 3i04 s MET 670 N 0.61 0.78 0.59 5.86 -1.94 -1.01 -1.13 119.30 123.06 3i04 s MET 670 Ca -0.03 0.12 -0.18 0.00 -1.71 0.00 0.00 55.69 53.90 3i04 s MET 670 Cb -0.05 0.36 -0.03 0.00 2.01 0.00 0.00 34.83 37.12 3i04 s MET 670 CO -0.04 -0.21 1.14 -2.14 -0.01 0.00 0.00 175.02 173.76 3i04 s PRO 671 N -0.99 3.09 0.19 2.03 0.02 -1.25 -4.14 135.00 133.95 3i04 s PRO 671 Ca -0.10 1.58 -0.12 0.00 0.02 0.00 0.00 61.00 62.37 3i04 s PRO 671 Cb -0.03 -1.97 0.20 0.00 0.02 0.00 0.00 34.50 32.72 3i04 s PRO 671 CO 0.06 -1.05 1.72 -0.22 -0.33 0.00 0.00 177.00 177.18 3i04 h LYS 672 N 0.75 0.26 -1.03 5.54 3.64 -1.96 0.18 116.57 123.95 3i04 h LYS 672 Ca -0.49 -0.02 0.26 0.00 -1.27 0.00 0.00 60.65 59.14 3i04 h LYS 672 Cb 1.26 -0.06 -0.11 0.00 -0.41 0.00 0.00 32.23 32.91 3i04 h LYS 672 CO 0.56 0.17 0.63 0.66 -2.27 0.00 0.00 179.45 179.20 3i04 h SER 673 N 0.27 0.56 -0.14 4.20 4.64 -1.98 0.64 113.55 121.74 3i04 h SER 673 Ca 0.26 0.11 -0.17 0.00 -0.47 0.00 0.00 61.79 61.53 3i04 h SER 673 Cb 0.34 0.03 0.01 0.00 -0.31 0.00 0.00 62.40 62.46 3i04 h SER 673 CO -0.32 0.08 -0.57 0.25 -0.87 0.00 0.00 176.83 175.40 3i04 h LEU 674 N 0.48 0.73 -0.45 5.97 6.46 -1.36 -0.39 115.31 126.75 3i04 h LEU 674 Ca 0.63 -0.62 0.03 0.00 -0.12 0.00 0.00 57.88 57.80 3i04 h LEU 674 Cb 1.40 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 41.08 3i04 h LEU 674 CO -0.40 1.24 0.24 0.11 -0.62 0.00 0.00 178.44 179.00 3i04 h LYS 675 N 0.28 0.46 -0.19 1.25 1.57 -0.12 -1.10 116.57 118.72 3i04 h LYS 675 Ca -0.03 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3i04 h LYS 675 Cb 1.20 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 3i04 h LYS 675 CO 0.12 0.30 0.11 -0.44 -0.57 0.00 0.00 179.45 178.97 3i04 h ASP 676 N 0.47 0.18 -0.86 0.86 3.32 0.27 -0.99 116.42 119.66 3i04 h ASP 676 Ca 0.19 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 3i04 h ASP 676 Cb 0.08 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 3i04 h ASP 676 CO -0.12 0.13 0.48 0.15 -1.72 0.00 0.00 179.24 178.16 3i04 h PHE 677 N 0.23 1.18 -0.01 4.55 3.57 -0.86 -3.06 116.94 122.54 3i04 h PHE 677 Ca 0.07 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3i04 h PHE 677 Cb -0.01 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.35 3i04 h PHE 677 CO -0.08 0.82 -0.43 1.28 -2.23 0.00 0.00 178.31 177.66 3i04 n LEU 678 N -4.34 1.43 -0.11 0.59 4.77 -0.43 -4.84 117.00 114.07 3i04 n LEU 678 Ca 0.09 -0.48 -0.03 0.00 -0.03 0.00 0.00 56.01 55.56 3i04 n LEU 678 Cb 0.09 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 3i04 n LEU 678 CO 0.39 0.27 0.46 1.57 -1.33 0.00 0.00 177.39 178.75 3i04 n HIS 679 N -0.51 -0.11 -0.06 -1.77 -0.00 -0.38 -1.10 115.22 111.29 3i04 n HIS 679 Ca 0.10 0.32 -0.08 0.00 0.46 0.00 0.00 57.72 58.52 3i04 n HIS 679 Cb 0.40 -0.49 -0.01 0.00 -0.12 0.00 0.00 29.99 29.76 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 0.04 0.06 0.26 5.19 -1.87 0.90 116.42 120.99 3i04 h ASP 680 Ca 0.04 0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.46 3i04 h ASP 680 Cb 0.11 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.65 3i04 h ASP 680 CO -0.24 0.05 -0.08 -0.33 -3.12 0.00 0.00 179.24 175.53 3i04 h GLU 681 N 0.16 0.07 -0.04 3.56 3.07 -1.81 -2.38 114.58 117.21 3i04 h GLU 681 Ca 0.11 -0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 58.89 3i04 h GLU 681 Cb 0.10 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 3i04 h GLU 681 CO -0.14 0.15 -0.27 0.35 -1.40 0.00 0.00 179.01 177.71 3i04 h PHE 682 N 0.07 0.35 -0.54 4.33 3.57 0.51 -0.23 116.94 125.00 3i04 h PHE 682 Ca 0.02 -0.16 0.09 0.00 3.53 0.00 0.00 57.97 61.45 3i04 h PHE 682 Cb 0.19 -0.05 -0.08 0.00 2.79 0.00 0.00 35.95 38.80 3i04 h PHE 682 CO 0.00 0.90 0.11 0.28 -2.23 0.00 0.00 178.31 177.37 3i04 h VAL 683 N -0.30 0.69 0.00 1.41 2.07 -0.87 -0.89 116.25 118.36 3i04 h VAL 683 Ca -0.02 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 3i04 h VAL 683 Cb 0.94 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3i04 h VAL 683 CO 0.05 0.05 -0.21 -0.09 0.02 0.00 0.00 177.57 177.39 3i04 h ARG 684 N 0.25 0.00 0.00 1.57 2.43 -1.37 -2.72 114.38 114.54 3i04 h ARG 684 Ca 0.27 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 59.25 3i04 h ARG 684 Cb 0.38 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 3i04 h ARG 684 CO -0.35 0.21 -1.19 0.00 -1.51 0.00 0.00 179.97 177.13 3i04 h ARG 685 N 0.00 0.00 -0.01 0.20 2.47 -0.59 -3.18 114.38 113.27 3i04 h ARG 685 Ca -0.00 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.57 3i04 h ARG 685 Cb 0.55 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.85 3i04 h ARG 685 CO 0.03 0.57 -0.68 0.66 0.56 0.00 0.00 179.97 181.11 3i04 h SER 686 N 0.00 0.09 -0.12 7.04 4.64 -0.94 -2.89 113.55 121.37 3i04 h SER 686 Ca -0.12 -0.06 -0.20 0.00 -0.47 0.00 0.00 61.79 60.94 3i04 h SER 686 Cb 1.70 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.77 3i04 h SER 686 CO 0.08 0.73 -0.69 0.58 -0.87 0.00 0.00 176.83 176.67 3i04 h VAL 687 N 0.05 1.29 0.00 0.95 2.07 -1.60 0.93 116.25 119.94 3i04 h VAL 687 Ca -0.01 -1.91 0.00 0.00 0.82 0.00 0.00 66.70 65.60 3i04 h VAL 687 Cb 1.20 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 3i04 h VAL 687 CO 0.09 0.61 0.00 -0.62 0.02 0.00 0.00 177.57 177.67 3i04 n GLU 688 N -3.94 0.12 -0.01 1.57 1.02 -1.20 -1.94 120.64 116.25 3i04 n GLU 688 Ca -0.06 0.43 0.09 0.00 -0.02 0.00 0.00 57.16 57.60 3i04 n GLU 688 Cb 0.70 -1.76 0.08 0.00 -0.02 0.00 0.00 31.44 30.44 3i04 n GLU 688 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3i04 n GLU 689 N -1.98 1.45 -3.26 3.49 -0.58 -1.01 -5.00 120.64 113.75 3i04 n GLU 689 Ca 0.02 -1.56 -0.17 0.00 -0.42 0.00 0.00 57.16 55.03 3i04 n GLU 689 Cb 0.15 -1.34 0.06 0.00 -0.57 0.00 0.00 31.44 29.74 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 0.98 -0.11 0.29 0.62 0.00 -0.82 -4.94 105.19 101.21 3i04 n GLY 690 Ca 0.10 -0.02 0.04 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.67 1.62 0.00 0.99 4.77 0.27 -5.03 117.00 115.95 3i04 n LEU 691 Ca -0.01 -1.03 0.00 0.00 -0.03 0.00 0.00 56.01 54.94 3i04 n LEU 691 Cb 0.55 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 3i04 n LEU 691 CO 0.46 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 3i04 n GLY 692 N 0.39 -1.55 0.16 -0.72 0.00 -1.23 -4.17 105.19 98.07 3i04 n GLY 692 Ca 0.04 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.50 3i04 n GLY 692 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3i04 h GLU 693 N 0.00 0.01 -0.12 1.61 5.08 -1.90 -3.30 114.58 115.96 3i04 h GLU 693 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3i04 h GLU 693 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3i04 h GLU 693 CO 0.00 0.51 0.00 -0.40 -1.00 0.00 0.00 179.01 178.12 3i04 n ASP 694 N -3.94 1.40 -0.16 1.42 5.68 -1.26 -4.36 116.55 115.32 3i04 n ASP 694 Ca -0.02 -1.63 0.01 0.00 -0.50 0.00 0.00 54.79 52.65 3i04 n ASP 694 Cb 0.52 -0.08 0.29 0.00 -1.14 0.00 0.00 41.12 40.71 3i04 n ASP 694 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 3i04 h PHE 695 N 1.90 0.84 -0.01 2.11 3.57 -1.72 -1.09 116.94 122.53 3i04 h PHE 695 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3i04 h PHE 695 Cb 0.41 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 3i04 h PHE 695 CO 0.08 0.53 0.01 0.97 -2.23 0.00 0.00 178.31 177.67 3i04 h ILE 696 N 0.90 0.58 0.00 1.41 2.10 -1.88 -0.82 117.51 119.80 3i04 h ILE 696 Ca 0.24 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.18 3i04 h ILE 696 Cb -0.10 0.99 0.00 0.00 -1.09 0.00 0.00 36.82 36.62 3i04 h ILE 696 CO -0.05 0.00 -0.46 0.47 -1.08 0.00 0.00 178.15 177.02 3i04 n ASP 697 N -3.93 0.69 0.12 2.19 8.00 -0.42 -3.18 116.55 120.01 3i04 n ASP 697 Ca -0.03 0.20 0.12 0.00 0.71 0.00 0.00 54.79 55.80 3i04 n ASP 697 Cb 0.10 -0.06 0.23 0.00 -0.02 0.00 0.00 41.12 41.37 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 -6.45 -1.24 1.57 -1.03 -3.45 116.57 105.97 3i04 h LYS 698 Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 3i04 h LYS 698 Cb 0.72 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 3i04 h LYS 698 CO 0.00 0.00 0.41 0.42 -0.57 0.00 0.00 179.45 179.71 3i04 s ILE 699 N -3.18 4.64 0.95 1.86 1.01 -1.09 -4.73 121.20 120.65 3i04 s ILE 699 Ca 0.07 1.94 -0.12 0.00 0.00 0.00 0.00 60.65 62.54 3i04 s ILE 699 Cb 0.10 -4.24 0.16 0.00 0.01 0.00 0.00 42.46 38.49 3i04 s ILE 699 CO 0.68 0.18 1.09 0.00 0.00 0.00 0.00 174.94 176.88 3i04 s ALA 700 N 0.84 1.19 0.12 9.38 0.00 -0.30 -4.92 121.76 128.07 3i04 s ALA 700 Ca 0.52 -0.08 -0.03 0.00 0.00 0.00 0.00 51.96 52.38 3i04 s ALA 700 Cb -0.23 -3.20 0.01 0.00 0.00 0.00 0.00 23.12 19.70 3i04 s ALA 700 CO 0.29 -2.65 0.20 -0.40 0.00 0.00 0.00 175.76 173.20 3i04 n ASP 701 N -4.09 -0.58 0.04 0.00 5.68 -1.26 -2.42 116.55 113.92 3i04 n ASP 701 Ca 0.07 -1.53 0.06 0.00 -0.50 0.00 0.00 54.79 52.88 3i04 n ASP 701 Cb 0.55 1.01 0.27 0.00 -1.14 0.00 0.00 41.12 41.81 3i04 n ASP 701 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3i04 n GLU 702 N -0.17 0.04 0.17 0.11 0.00 -1.25 -1.01 120.64 118.53 3i04 n GLU 702 Ca -0.01 0.39 0.09 0.00 0.00 0.00 0.00 57.16 57.62 3i04 n GLU 702 Cb 0.18 -1.60 0.09 0.00 0.00 0.00 0.00 31.44 30.11 3i04 n GLU 702 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 3i04 h THR 703 N 0.00 0.25 0.03 3.84 1.35 -1.95 -3.33 112.91 113.11 3i04 h THR 703 Ca 0.00 -1.38 -0.21 0.00 -0.55 0.00 0.00 66.41 64.27 3i04 h THR 703 Cb 0.17 2.02 -0.02 0.00 -1.73 0.00 0.00 68.15 68.59 3i04 h THR 703 CO 0.00 0.14 -1.15 0.40 -0.25 0.00 0.00 175.52 174.67 3i04 h ILE 704 N 0.00 1.06 0.00 6.82 5.03 -1.47 -3.51 117.51 125.44 3i04 h ILE 704 Ca -0.01 -2.26 0.00 0.00 -0.12 0.00 0.00 64.86 62.46 3i04 h ILE 704 Cb 1.14 2.53 0.00 0.00 -3.03 0.00 0.00 36.82 37.46 3i04 h ILE 704 CO 0.02 0.48 0.00 0.61 -0.68 0.00 0.00 178.15 178.58 3i04 n GLY 705 N 1.57 -1.76 0.01 5.37 0.00 -0.52 -4.69 105.19 105.17 3i04 n GLY 705 Ca -0.27 -1.11 0.01 0.00 0.00 0.00 0.00 46.02 44.64 3i04 n GLY 705 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i04 n THR 706 N 1.21 0.00 -4.31 2.61 -2.24 -1.26 -3.96 114.28 106.34 3i04 n THR 706 Ca 0.00 -0.48 -0.18 0.00 -2.27 0.00 0.00 64.05 61.12 3i04 n THR 706 Cb 0.00 1.01 -0.10 0.00 -2.10 0.00 0.00 70.33 69.13 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 -0.86 1.57 0.20 4.28 -4.23 -1.26 -0.22 115.64 115.12 3i04 s THR 707 Ca 0.01 -2.05 -0.11 0.00 -1.18 0.00 0.00 61.69 58.36 3i04 s THR 707 Cb 0.01 -1.88 0.12 0.00 1.34 0.00 0.00 72.50 72.09 3i04 s THR 707 CO 0.04 -0.55 1.82 0.58 -0.54 0.00 0.00 174.62 175.97 3i04 h VAL 708 N 2.88 1.01 -0.95 2.29 2.07 -1.93 -2.34 116.25 119.29 3i04 h VAL 708 Ca -0.39 -0.24 0.15 0.00 0.82 0.00 0.00 66.70 67.05 3i04 h VAL 708 Cb 1.21 0.26 -0.10 0.00 -1.52 0.00 0.00 31.29 31.14 3i04 h VAL 708 CO 0.58 0.13 0.56 0.44 0.02 0.00 0.00 177.57 179.30 3i04 h ASP 709 N 0.69 0.74 1.19 0.57 3.45 -1.97 -1.03 116.42 120.07 3i04 h ASP 709 Ca 0.27 0.08 -0.09 0.00 0.43 0.00 0.00 57.03 57.72 3i04 h ASP 709 Cb 0.11 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 38.81 3i04 h ASP 709 CO -0.15 0.32 -0.43 -0.33 -1.57 0.00 0.00 179.24 177.08 3i04 h GLU 710 N 0.78 0.00 0.00 3.56 5.08 -1.80 -3.39 114.58 118.82 3i04 h GLU 710 Ca 0.51 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.61 3i04 h GLU 710 Cb 0.69 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.89 3i04 h GLU 710 CO -0.34 0.43 -2.01 0.44 -1.00 0.00 0.00 179.01 176.53 3i04 n ILE 711 N -3.35 1.01 -0.23 3.13 -5.35 -0.96 -4.59 119.36 109.03 3i04 n ILE 711 Ca 0.01 -0.60 -0.03 0.00 -0.27 0.00 0.00 62.75 61.87 3i04 n ILE 711 Cb 0.62 -0.67 0.04 0.00 -1.74 0.00 0.00 39.64 37.89 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 -0.96 -1.12 7.28 5.85 -1.39 -1.76 115.31 123.21 3i04 h LEU 712 Ca -0.40 0.22 0.09 0.00 0.84 0.00 0.00 57.88 58.64 3i04 h LEU 712 Cb 1.87 0.53 -0.07 0.00 0.37 0.00 0.00 40.66 43.36 3i04 h LEU 712 CO 0.01 -0.28 0.61 -0.65 -0.34 0.00 0.00 178.44 177.79 3i04 h PRO 713 N -0.09 0.95 -0.03 5.25 0.11 -1.81 0.55 132.00 136.93 3i04 h PRO 713 Ca 0.28 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 66.36 3i04 h PRO 713 Cb 0.54 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 31.40 3i04 h PRO 713 CO -0.71 0.63 -0.16 -0.92 -0.21 0.00 0.00 178.00 176.62 3i04 h TYR 714 N 0.98 -0.42 -0.53 0.65 3.20 -1.74 -2.10 116.97 117.02 3i04 h TYR 714 Ca 0.44 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.32 3i04 h TYR 714 Cb 0.37 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.80 3i04 h TYR 714 CO -0.00 -0.24 0.33 -0.07 -1.64 0.00 0.00 178.16 176.54 3i04 h LEU 715 N -0.25 0.63 -0.15 2.82 3.38 -0.05 -0.05 115.31 121.64 3i04 h LEU 715 Ca 0.06 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3i04 h LEU 715 Cb 0.33 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3i04 h LEU 715 CO -0.18 0.49 0.06 -0.33 0.09 0.00 0.00 178.44 178.57 3i04 h GLU 716 N 0.71 0.23 -0.02 1.13 5.08 -1.30 0.21 114.58 120.62 3i04 h GLU 716 Ca 0.19 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 3i04 h GLU 716 Cb -0.03 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 3i04 h GLU 716 CO -0.04 0.32 -0.10 1.49 -1.00 0.00 0.00 179.01 179.69 3i04 h GLU 717 N 0.09 0.03 -0.00 2.33 4.81 -0.90 -0.03 114.58 120.90 3i04 h GLU 717 Ca 0.05 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3i04 h GLU 717 Cb 0.18 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.55 3i04 h GLU 717 CO -0.00 0.13 -0.53 1.63 -0.73 0.00 0.00 179.01 179.51 3i04 n LYS 718 N -4.41 0.11 -2.66 1.92 4.76 -0.08 -5.00 118.16 112.81 3i04 n LYS 718 Ca -0.02 -0.07 -0.08 0.00 -2.87 0.00 0.00 58.31 55.27 3i04 n LYS 718 Cb 0.18 -1.50 0.04 0.00 -1.84 0.00 0.00 35.03 31.91 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 1.48 -0.61 3.66 0.72 0.00 -0.03 -4.96 105.19 105.45 3i04 n GLY 719 Ca 0.06 0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.96 3i04 n GLY 719 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3i04 s HIS 720 N -3.20 2.46 0.61 1.61 2.46 0.68 -4.92 115.29 114.99 3i04 s HIS 720 Ca 0.24 0.63 0.30 0.00 0.47 0.00 0.00 55.06 56.70 3i04 s HIS 720 Cb -0.03 -3.69 1.68 0.00 -0.13 0.00 0.00 32.58 30.40 3i04 s HIS 720 CO 0.51 -2.69 2.04 -1.00 -2.47 0.00 0.00 174.74 171.12 3i04 h PRO 721 N 8.78 0.00 -0.65 2.88 0.13 -1.90 -1.89 132.00 139.34 3i04 h PRO 721 Ca -0.33 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.76 3i04 h PRO 721 Cb 1.14 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 3i04 h PRO 721 CO 0.96 0.00 0.23 0.00 -0.23 0.00 0.00 178.00 178.96 3i04 h ALA 722 N 1.63 1.19 -0.94 -0.56 0.00 -1.87 -2.60 119.26 116.12 3i04 h ALA 722 Ca 0.09 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.90 3i04 h ALA 722 Cb 0.64 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 3i04 h ALA 722 CO -0.00 0.58 0.61 -0.07 0.00 0.00 0.00 179.25 180.36 3i04 h LEU 723 N 0.94 0.91 -1.73 0.00 3.38 -1.51 -2.76 115.31 114.54 3i04 h LEU 723 Ca 0.22 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3i04 h LEU 723 Cb 0.22 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3i04 h LEU 723 CO -0.01 0.56 -0.01 0.35 0.09 0.00 0.00 178.44 179.41 3i04 n THR 724 N -4.52 0.00 -1.11 0.22 -2.24 -1.18 -4.96 114.28 100.50 3i04 n THR 724 Ca 0.15 -0.49 -0.30 0.00 -2.27 0.00 0.00 64.05 61.13 3i04 n THR 724 Cb 0.25 1.40 0.13 0.00 -2.10 0.00 0.00 70.33 70.00 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 -1.62 1.55 0.79 -0.78 -1.94 -0.99 -5.01 119.30 111.29 3i04 s MET 725 Ca 0.22 1.11 -0.14 0.00 -1.71 0.00 0.00 55.69 55.17 3i04 s MET 725 Cb 0.16 -1.82 0.07 0.00 2.01 0.00 0.00 34.83 35.25 3i04 s MET 725 CO 0.25 -2.12 1.20 0.16 -0.01 0.00 0.00 175.02 174.50 3i04 s ASP 726 N -3.23 3.76 0.51 3.03 -4.77 -1.26 -4.92 116.67 109.78 3i04 s ASP 726 Ca 0.63 2.35 -0.22 0.00 -3.30 0.00 0.00 52.55 52.01 3i04 s ASP 726 Cb -0.19 -2.59 -0.07 0.00 -1.09 0.00 0.00 42.92 38.99 3i04 s ASP 726 CO 0.57 -2.56 1.25 -2.65 0.70 0.00 0.00 175.17 172.49 3i04 n PRO 727 N -3.16 1.63 -3.63 2.11 -0.02 -1.26 -4.99 135.00 125.68 3i04 n PRO 727 Ca 0.13 0.59 -0.39 0.00 -2.02 0.00 0.00 63.50 61.82 3i04 n PRO 727 Cb 0.50 -2.43 -0.09 0.00 -0.02 0.00 0.00 33.50 31.47 3i04 n PRO 727 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3i04 s ILE 728 N -1.30 4.02 0.00 4.25 2.07 -1.26 -5.14 121.20 123.84 3i04 s ILE 728 Ca 0.69 -2.35 0.00 0.00 -1.41 0.00 0.00 60.65 57.58 3i04 s ILE 728 Cb -0.45 -3.63 0.00 0.00 0.13 0.00 0.00 42.46 38.51 3i04 s ILE 728 CO 0.52 -0.83 0.26 1.15 -1.91 0.00 0.00 174.94 174.13